| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.4 | Very low | 71 | Confident | 240 Ų | 240 | 86.6 Ų | 86.6 | 100% | 1.182 | 44% | 0.439 | S | S | * | . | 0 | 126 | 0 | -72.9 | 168.9 | 176.8 | 0 | 0 | 106.8 | V3 | M1-V3 PolarHBondContact O-N 2.77Š| |||
| 2 | K | 51.2 | Low | 71.9 | Confident | 174 Ų | 174 | 84.6 Ų | 84.6 | 76% | 0.757 | 44% | 0.436 | S | S | * | . | trans | -59.4 | 135.7 | 166.1 | -73.6 | 179.2 | 177.9 | 176.7 | 0 | 106.4 | T4 | K2-T4 PolarHBondContact O-N 3.04Š| ||
| 3 | V | 60 | Low | 72.6 | Confident | 113 Ų | 113 | 87.7 Ų | 87.7 | 69% | 0.685 | 44% | 0.444 | S | S | * | . | trans | -65.4 | 100 | 178 | 177.8 | 0 | 0 | 0 | 0 | 106.8 | M1 H5 | M1-V3 PolarHBondContact O-N 2.77Å; V3-H5 PolarHBondContact O-N 3.38Å | ||
| 4 | T | 62.7 | Low | 73 | Confident | 78 Ų | 78 | 82.5 Ų | 82.5 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | trans | -66.2 | 114.8 | 176.1 | 47.5 | 0 | 0 | 0 | 0 | 107.7 | K2 T6 | K2-T4 PolarHBondContact O-N 3.04Å; T4-T6 PolarHBondContact O-N 3.5Å | ||
| 5 | H | 70.5 | Confident | 73.7 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 20% | 0.204 | 43% | 0.427 | C | S | . | . | trans | -79.3 | 108.4 | 176.2 | -64.3 | -41.5 | 0 | 0 | 0 | 109.4 | V3 Y7 K690 | V3-H5 PolarHBondContact O-N 3.38Å; H5-Y7 HydrophobicContact CB-CE2 3.79Å; H5-K690 PolarHBondContact ND1-NZ 3.31Å | ||
| 6 | T | 79.3 | Confident | 74.5 | Confident | 76 Ų | 76 | 77.5 Ų | 77.5 | 47% | 0.466 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.1 | 176.3 | 52.5 | 0 | 0 | 0 | 0 | 110 | T4 L773 I774 | T4-T6 PolarHBondContact O-N 3.5Å; T6-L773 WeakPolarHBondContact CA-O 3.36Å; T6-I774 HydrophobicContact CG2-CG1 4.27Å |
| 7 | Y | 82.8 | Confident | 75 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 10% | 0.102 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 164.9 | 172.5 | -64.3 | -86.8 | 0 | 0 | 0 | 109.9 | H5 L673 D687 K690 I694 L772 L773 L775 | H5-Y7 HydrophobicContact CB-CE2 3.79Å; Y7-L673 HydrophobicContact CE1-CD2 4.46Å; Y7-D687 HydrophobicContact CE1-CB 4.4Å; Y7-D687 PolarHBondContact OH-OD2 2.99Å; Y7-K690 WeakPolarHBondContact OH-CD 3.47Å; Y7-K690 WeakPolarHBondContact OH-CE 3.46Å; Y7-K690 PolarHBondContact OH-NZ 2.76Å; Y7-I694 HydrophobicContact CD1-CD1 3.61Å; Y7-I694 HydrophobicContact CD1-CG1 4.29Å; Y7-I694 HydrophobicContact CD1-CG2 4.16Å; Y7-I694 HydrophobicContact CD2-CG1 4.47Å; Y7-I694 HydrophobicContact CD2-CG2 3.76Å; Y7-I694 HydrophobicContact CE1-CD1 3.54Å; Y7-I694 HydrophobicContact CE1-CG1 4.11Å; Y7-I694 HydrophobicContact CE2-CG1 4.31Å; Y7-I694 HydrophobicContact CE2-CG2 4.37Å; Y7-I694 HydrophobicContact CG-CD1 4.16Å; Y7-I694 HydrophobicContact CG-CG1 4.46Å; Y7-I694 HydrophobicContact CG-CG2 3.64Å; Y7-L772 CarbonylContact O-C 3.56Å; Y7-L772 WeakPolarHBondContact O-CA 3.45Å; Y7-L773 PolarHBondContact N-O 3.12Å; Y7-L773 WeakPolarHBondContact O-CB 3.4Å; Y7-L773 PolarHBondContact O-N 3.28Å; Y7-L775 HydrophobicContact CD2-CD1 3.93Å; Y7-L775 HydrophobicContact CD2-CD2 4.22Å; Y7-L775 HydrophobicContact CD2-CG 3.87Å; Y7-L775 HydrophobicContact CE2-CD1 3.44Å; Y7-L775 VanDerWaalsContact CE2-CD1 3.44Å; Y7-L775 HydrophobicContact CE2-CG 3.9Å |
| 8 | Q | 81.6 | Confident | 75.6 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.3 | 168.9 | -71.5 | -179.2 | -16.5 | 0 | 0 | 109.9 | E768 L772 | Q8-E768 HydrophobicContact CB-CB 4.21Å; Q8-E768 HydrophobicContact CB-CG 4.19Å; Q8-E768 PolarHBondContact OE1-OE2 3.19Å; Q8-L772 HydrophobicContact CG-CD2 4.42Å |
| 9 | K | 83.4 | Confident | 76.3 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 135.8 | 178.2 | -178.1 | 176.6 | 168.4 | -168.9 | 0 | 110.1 | N11 E768 A769 E771 L773 | K9-N11 WeakPolarHBondContact CE-OD1 3.35Å; K9-E768 CarbonylContact O-C 3.55Å; K9-E768 WeakPolarHBondContact O-CA 2.95Å; K9-A769 PolarHBondContact O-N 3.2Å; K9-E771 HydrophobicContact CB-CB 4.37Å; K9-E771 VanDerWaalsContact CB-O 3.32Å; K9-E771 WeakPolarHBondContact CB-O 3.36Å; K9-E771 HydrophobicContact CD-CB 4.31Å; K9-E771 PolarHBondContact N-O 3.48Å; K9-E771 IonicContact NZ-OE2 2.96Å; K9-E771 PolarHBondContact NZ-OE2 2.79Å; K9-L773 HydrophobicContact CB-CB 4.41Å; K9-L773 HydrophobicContact CB-CD1 4.37Å; K9-L773 HydrophobicContact CD-CD1 4.47Å; K9-L773 HydrophobicContact CG-CD1 4.32Å |
| 10 | Y | 86.3 | Confident | 76.7 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.3 | 172.8 | -80.9 | -104.6 | 0 | 0 | 0 | 111 | F697 G752 I754 W766 E767 E768 | Y10-F697 VanDerWaalsContact CB-CE1 3.46Å; Y10-F697 HydrophobicContact CD2-CE1 4.48Å; Y10-F697 HydrophobicContact CD2-CZ 4.03Å; Y10-F697 HydrophobicContact CG-CE1 4.19Å; Y10-F697 AromaticContact CG-CZ 3.88Å; Y10-F697 HydrophobicContact CG-CZ 3.88Å; Y10-G752 VanDerWaalsContact CE1-O 3.25Å; Y10-G752 WeakPolarHBondContact CE1-O 3.43Å; Y10-G752 VanDerWaalsContact OH-CA 3.25Å; Y10-G752 WeakPolarHBondContact OH-CA 3.36Å; Y10-G752 PolarHBondContact OH-N 3Å; Y10-G752 PolarHBondContact OH-O 2.92Å; Y10-I754 HydrophobicContact CD1-CD1 3.75Å; Y10-I754 HydrophobicContact CD1-CG1 4.26Å; Y10-I754 HydrophobicContact CE1-CD1 3.46Å; Y10-I754 VanDerWaalsContact CE1-CD1 3.46Å; Y10-I754 HydrophobicContact CE1-CG1 3.71Å; Y10-I754 HydrophobicContact CE2-CD1 4.44Å; Y10-I754 HydrophobicContact CG-CD1 4.31Å; Y10-W766 HydrophobicContact CD1-CB 3.91Å; Y10-E767 CarbonylContact C-O 3.6Å; Y10-E767 WeakPolarHBondContact CA-O 3.32Å; Y10-E768 HydrophobicContact CD1-CG 4Å; Y10-E768 HydrophobicContact CD2-CG 3.78Å; Y10-E768 HydrophobicContact CE1-CG 3.64Å; Y10-E768 HydrophobicContact CE2-CG 3.35Å; Y10-E768 WeakPolarHBondContact CE2-OE1 3.24Å; Y10-E768 HydrophobicContact CG-CG 4.07Å; Y10-E768 PolarHBondContact OH-OE1 2.97Å |
| 11 | N | 83.4 | Confident | 77 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143.7 | 174.2 | -74 | -19.4 | 0 | 0 | 0 | 110.8 | K9 K13 W766 E767 A769 | K9-N11 WeakPolarHBondContact CE-OD1 3.35Å; N11-K13 PolarHBondContact O-N 3.35Å; N11-K13 VanDerWaalsContact O-N 3.15Å; N11-W766 WeakPolarHBondContact O-CA 3.2Å; N11-E767 PolarHBondContact N-O 2.99Å; N11-E767 PolarHBondContact O-N 3.04Å; N11-A769 HydrophobicContact CB-CB 4.47Å; N11-A769 VanDerWaalsContact ND2-CB 3.34Å; N11-A769 WeakPolarHBondContact ND2-CB 3.42Å |
| 12 | P | 82.4 | Confident | 78.7 | Confident | 62 Ų | 62 | 53 Ų | 53 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 108.7 | 172.6 | 28.1 | -29.4 | 0 | 0 | 0 | 109 | W766 | P12-W766 HydrophobicContact CB-CD2 4.4Å; P12-W766 HydrophobicContact CB-CE3 3.77Å; P12-W766 HydrophobicContact CB-CH2 4.03Å; P12-W766 HydrophobicContact CB-CZ3 3.58Å; P12-W766 HydrophobicContact CG-CE3 4.25Å; P12-W766 HydrophobicContact CG-CH2 4.36Å; P12-W766 HydrophobicContact CG-CZ3 3.75Å |
| 13 | K | 81.4 | Confident | 80 | Confident | 125 Ų | 125 | 47 Ų | 47 | 54% | 0.543 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -42.6 | 179.4 | 176.4 | 171.9 | -176.5 | 169.5 | 0 | 112.9 | N11 I765 E767 | N11-K13 PolarHBondContact O-N 3.35Å; N11-K13 VanDerWaalsContact O-N 3.15Å; K13-I765 PolarHBondContact N-O 2.93Å; K13-E767 HydrophobicContact CB-CG 4.21Å; K13-E767 HydrophobicContact CD-CG 3.97Å; K13-E767 WeakPolarHBondContact CD-OE1 3.46Å; K13-E767 WeakPolarHBondContact CD-OE2 3.36Å; K13-E767 WeakPolarHBondContact CE-OE1 3.44Å; K13-E767 WeakPolarHBondContact CE-OE2 3.42Å; K13-E767 IonicContact NZ-OE1 3.2Å; K13-E767 PolarHBondContact NZ-OE1 2.83Å; K13-E767 IonicContact NZ-OE2 3.59Å; K13-E767 PolarHBondContact NZ-OE2 3.02Å |
| 14 | A | 78.2 | Confident | 81.1 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 128.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y16 T450 R764 I765 | A14-Y16 HydrophobicContact CB-CD1 4.04Å; A14-Y16 HydrophobicContact CB-CE1 4.13Å; A14-T450 HydrophobicContact CB-CG2 3.85Å; A14-R764 WeakPolarHBondContact O-CA 3.39Å; A14-I765 PolarHBondContact O-N 2.86Å |
| 15 | A | 83.5 | Confident | 82.2 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 50% | 0.504 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.8 | 167 | 0 | 0 | 0 | 0 | 0 | 107.9 | I763 R764 | A15-I763 WeakPolarHBondContact CA-O 3.49Å; A15-R764 HydrophobicContact CB-CG 4.04Å |
| 16 | Y | 85.8 | Confident | 83 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 178.1 | 178.7 | 56.7 | -89.5 | 0 | 0 | 0 | 110.5 | A14 W445 T450 I763 I765 | A14-Y16 HydrophobicContact CB-CD1 4.04Å; A14-Y16 HydrophobicContact CB-CE1 4.13Å; Y16-W445 HydrophobicContact CD2-CD2 4.12Å; Y16-W445 AromaticContact CD2-CE3 3.75Å; Y16-W445 HydrophobicContact CD2-CE3 3.75Å; Y16-W445 HydrophobicContact CD2-CZ3 4.02Å; Y16-W445 HydrophobicContact CE2-CB 4.03Å; Y16-W445 AromaticContact CE2-CD2 3.64Å; Y16-W445 HydrophobicContact CE2-CD2 3.64Å; Y16-W445 AromaticContact CE2-CE3 3.66Å; Y16-W445 HydrophobicContact CE2-CE3 3.66Å; Y16-W445 AromaticContact CE2-CG 3.78Å; Y16-W445 HydrophobicContact CE2-CG 3.78Å; Y16-W445 HydrophobicContact CE2-CZ3 4.36Å; Y16-T450 HydrophobicContact CD1-CG2 3.73Å; Y16-T450 HydrophobicContact CE1-CG2 3.96Å; Y16-T450 HydrophobicContact CG-CG2 4.49Å; Y16-I763 HydrophobicContact CD2-CB 4.19Å; Y16-I763 HydrophobicContact CD2-CD1 4.27Å; Y16-I763 HydrophobicContact CE1-CG2 4.47Å; Y16-I763 HydrophobicContact CE2-CB 3.97Å; Y16-I763 HydrophobicContact CE2-CD1 4.01Å; Y16-I763 HydrophobicContact CE2-CG2 3.84Å; Y16-I763 PolarHBondContact N-O 2.85Å; Y16-I763 PolarHBondContact O-N 3.28Å; Y16-I765 HydrophobicContact CE1-CD1 4.08Å; Y16-I765 HydrophobicContact CE1-CG1 4.41Å |
| 17 | G | 82.6 | Confident | 83.3 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | 102.2 | -12.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | N375 F416 G417 F761 | G17-N375 PolarHBondContact O-ND2 2.77Å; G17-F416 CarbonylContact C-O 3.57Å; G17-F416 WeakPolarHBondContact CA-O 3.41Å; G17-G417 WeakPolarHBondContact O-CA 3.44Å; G17-F761 CarbonylContact C-O 3.58Å |
| 18 | I | 86.2 | Confident | 83.4 | Confident | 27 Ų | 27 | 37.3 Ų | 37.3 | 14% | 0.138 | 20% | 0.202 | C | C | . | . | trans | -102.7 | 121.6 | 175.8 | -49.1 | 175.4 | 0 | 0 | 0 | 109.6 | A44 D760 F761 | I18-A44 HydrophobicContact CB-CB 4.06Å; I18-A44 HydrophobicContact CG2-CB 3.86Å; I18-D760 WeakPolarHBondContact CD1-O 3.11Å; I18-D760 WeakPolarHBondContact CG1-O 3.41Å; I18-F761 HydrophobicContact CG1-CB 4.4Å | ||
| 19 | I | 88.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -94.3 | -50 | 173.5 | -63.6 | 169.1 | 0 | 0 | 0 | 109.7 | W51 N375 L377 V413 F416 | I19-W51 HydrophobicContact CB-CZ2 4.45Å; I19-W51 HydrophobicContact CG1-CZ2 4.32Å; I19-W51 HydrophobicContact CG2-CZ2 4.23Å; I19-W51 PolarHBondContact O-NE1 3.27Å; I19-N375 WeakPolarHBondContact CA-OD1 3.45Å; I19-N375 WeakPolarHBondContact CB-OD1 3.26Å; I19-N375 WeakPolarHBondContact CD1-O 3.36Å; I19-N375 PolarHBondContact N-OD1 2.93Å; I19-L377 HydrophobicContact CG2-CB 4.29Å; I19-V413 HydrophobicContact CD1-CG1 4.28Å; I19-V413 HydrophobicContact CG2-CB 4.39Å; I19-V413 HydrophobicContact CG2-CG1 4.08Å; I19-F416 HydrophobicContact CD1-CB 4.31Å; I19-F416 HydrophobicContact CG1-CB 4.09Å |
| 20 | A | 85.4 | Confident | 82.5 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | trans | -147.3 | 127.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C42 G43 N375 | A20-C42 HydrophobicContact CB-CB 4.4Å; A20-G43 CarbonylContact C-O 3.51Å; A20-G43 WeakPolarHBondContact CA-O 3.3Å; A20-N375 PolarHBondContact N-OD1 3.4Å | ||
| 21 | S | 82.1 | Confident | 81.3 | Confident | 16 Ų | 16 | 34 Ų | 34 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | trans | -80.7 | 147.3 | 172.5 | 62.8 | 0 | 0 | 0 | 0 | 111.2 | S23 T24 G43 | S21-S23 PolarHBondContact O-N 2.73Å; S21-S23 PolarHBondContact OG-OG 3.19Å; S21-T24 PolarHBondContact OG-OG1 3.43Å; S21-G43 WeakPolarHBondContact CB-O 3.28Å; S21-G43 PolarHBondContact N-O 3.39Å; S21-G43 PolarHBondContact OG-O 3.37Å; S21-G43 VanDerWaalsContact OG-O 3.05Å | ||
| 22 | D | 75.6 | Confident | 80 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.8 | 173.7 | -80.8 | 23.3 | 0 | 0 | 0 | 114.2 | K373 | D22-K373 VanDerWaalsContact OD1-CA 3.28Å; D22-K373 WeakPolarHBondContact OD1-CA 3.31Å; D22-K373 WeakPolarHBondContact OD2-CD 3.31Å; D22-K373 WeakPolarHBondContact OD2-CE 3.36Å; D22-K373 VanDerWaalsContact OD2-CG 3.22Å; D22-K373 WeakPolarHBondContact OD2-CG 3.12Å; D22-K373 IonicContact OD2-NZ 3.8Å; D22-K373 PolarHBondContact OD2-NZ 3.48Å |
| 23 | S | 78.7 | Confident | 78.6 | Confident | 50 Ų | 50 | 39.4 Ų | 39.4 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -25.5 | -171.1 | 50.1 | 0 | 0 | 0 | 0 | 114 | S21 I71 | S21-S23 PolarHBondContact O-N 2.73Å; S21-S23 PolarHBondContact OG-OG 3.19Å; S23-I71 PolarHBondContact OG-O 3.17Å |
| 24 | T | 83.2 | Confident | 77.2 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -106.6 | 144.2 | -168 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | S21 G43 I71 L74 S347 | S21-T24 PolarHBondContact OG-OG1 3.43Å; T24-G43 WeakPolarHBondContact OG1-CA 3.42Å; T24-G43 PolarHBondContact OG1-N 3.01Å; T24-I71 HydrophobicContact CG2-CB 4.13Å; T24-I71 HydrophobicContact CG2-CG2 3.6Å; T24-L74 HydrophobicContact CG2-CD1 3.95Å; T24-L74 HydrophobicContact CG2-CG 4.12Å; T24-S347 PolarHBondContact O-OG 2.63Å |
| 25 | K | 84.9 | Confident | 76.2 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | trans | -76.9 | 127.1 | 169.1 | -64.9 | -170.8 | -178.3 | -170.6 | 0 | 109 | D198 | K25-D198 IonicContact NZ-OD1 3.19Å; K25-D198 PolarHBondContact NZ-OD1 3.35Å; K25-D198 IonicContact NZ-OD2 2.68Å; K25-D198 PolarHBondContact NZ-OD2 2.94Å | ||
| 26 | V | 88.1 | Confident | 74.9 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | trans | -72.9 | 142.7 | 170.7 | 173.3 | 0 | 0 | 0 | 0 | 109.3 | L41 C42 S347 D349 I369 L377 | V26-L41 WeakPolarHBondContact CA-O 3.49Å; V26-C42 HydrophobicContact CG2-CB 4.49Å; V26-S347 WeakPolarHBondContact CG2-OG 3.13Å; V26-S347 PolarHBondContact N-OG 2.75Å; V26-D349 WeakPolarHBondContact O-CB 3.32Å; V26-I369 HydrophobicContact CG1-CD1 4.23Å; V26-I369 HydrophobicContact CG1-CG1 4.36Å; V26-I369 HydrophobicContact CG1-CG2 3.64Å; V26-L377 HydrophobicContact CG1-CD1 4.39Å; V26-L377 HydrophobicContact CG2-CD1 4.33Å | ||
| 27 | S | 85.4 | Confident | 73.8 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140.3 | 173.7 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | C40 L41 D349 | S27-C40 WeakPolarHBondContact O-CA 3.5Å; S27-L41 PolarHBondContact N-O 3.43Å; S27-L41 PolarHBondContact O-N 3.12Å; S27-D349 WeakPolarHBondContact CA-OD2 3.47Å |
| 28 | Y | 85.6 | Confident | 73.5 | Confident | 30 Ų | 30 | 44 Ų | 44 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 139.1 | 163.7 | -77.4 | -72.3 | 0 | 0 | 0 | 110.5 | D349 L351 I369 | Y28-D349 HydrophobicContact CD2-CB 4.28Å; Y28-D349 WeakPolarHBondContact CD2-OD2 3.39Å; Y28-D349 PolarHBondContact N-OD2 3.43Å; Y28-L351 HydrophobicContact CD1-CD1 4.15Å; Y28-L351 HydrophobicContact CD2-CB 4.44Å; Y28-L351 HydrophobicContact CD2-CD1 4.25Å; Y28-L351 HydrophobicContact CE1-CD1 4.48Å; Y28-L351 HydrophobicContact CE2-CB 4.22Å; Y28-L351 HydrophobicContact CG-CD1 4.01Å; Y28-I369 HydrophobicContact CD2-CG2 3.97Å; Y28-I369 HydrophobicContact CE1-CB 4.22Å; Y28-I369 HydrophobicContact CE1-CD1 4.42Å; Y28-I369 HydrophobicContact CE1-CG2 4.31Å; Y28-I369 HydrophobicContact CE2-CB 3.88Å; Y28-I369 HydrophobicContact CE2-CG2 3.52Å; Y28-I369 WeakPolarHBondContact OH-CB 3.17Å; Y28-I369 PolarHBondContact OH-N 3.19Å |
| 29 | V | 78.9 | Confident | 73.4 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.4 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | L39 L41 A76 M100 | V29-L39 HydrophobicContact CB-CB 4.3Å; V29-L39 PolarHBondContact N-O 3.06Å; V29-L41 HydrophobicContact CG2-CB 3.8Å; V29-A76 HydrophobicContact CG2-CB 3.89Å; V29-M100 HydrophobicContact CG1-CE 3.74Å |
| 30 | S | 67.2 | Low | 73.3 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | trans | -111.6 | 123.8 | 169.4 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | I79 | S30-I79 VanDerWaalsContact OG-CD1 3.22Å; S30-I79 WeakPolarHBondContact OG-CD1 3.42Å; S30-I79 WeakPolarHBondContact OG-CG1 3.03Å | ||
| 31 | N | 61.5 | Low | 73.5 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | trans | -95.6 | 153.2 | 166.9 | -159.9 | -17.5 | 0 | 0 | 0 | 108.7 | S33 C34 N101 | N31-S33 PolarHBondContact O-N 2.88Å; N31-C34 PolarHBondContact O-N 2.79Å; N31-N101 PolarHBondContact ND2-OD1 3.25Å | ||
| 32 | K | 55.8 | Low | 73.7 | Confident | 133 Ų | 133 | 42.7 Ų | 42.7 | 58% | 0.578 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28 | -178.3 | -63.7 | -176.1 | -172.2 | 169.9 | 0 | 113.8 | L82 | K32-L82 WeakPolarHBondContact CE-O 3.23Å; K32-L82 PolarHBondContact NZ-O 2.78Å |
| 33 | S | 52.7 | Low | 74.2 | Confident | 102 Ų | 102 | 39.7 Ų | 39.7 | 71% | 0.713 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -21.3 | -180 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | N31 | N31-S33 PolarHBondContact O-N 2.88Š|
| 34 | C | 51.5 | Low | 74.5 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 27% | 0.27 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -109.2 | 134.6 | -172.2 | -83.1 | 0 | 0 | 0 | 0 | 110.9 | N31 S36 E38 | N31-C34 PolarHBondContact O-N 2.79Å; C34-S36 PolarHBondContact O-N 3.06Å; C34-E38 PolarHBondContact SG-OE2 2.89Å; C34-E38 VanDerWaalsContact SG-OE2 3.33Å |
| 35 | K | 57.3 | Low | 74.4 | Confident | 159 Ų | 159 | 37.9 Ų | 37.9 | 69% | 0.691 | 20% | 0.204 | S | C | * | . | trans | -54.3 | 136 | 170.9 | -68.2 | 176.9 | -178.9 | 175.3 | 0 | 108.4 | G37 | K35-G37 PolarHBondContact O-N 2.94Š| ||
| 36 | S | 57.3 | Low | 74.4 | Confident | 53 Ų | 53 | 36 Ų | 36 | 37% | 0.371 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 126.6 | 178.5 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | C34 R354 | C34-S36 PolarHBondContact O-N 3.06Å; S36-R354 PolarHBondContact O-NH2 2.98Å |
| 37 | G | 62.4 | Low | 74.3 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | 14.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | K35 | K35-G37 PolarHBondContact O-N 2.94Š|
| 38 | E | 75.5 | Confident | 74.5 | Confident | 68 Ų | 68 | 35.9 Ų | 35.9 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -92.9 | -18.6 | 176.7 | -71.9 | -173.3 | 176.2 | 0 | 0 | 114.5 | C34 P53 | C34-E38 PolarHBondContact SG-OE2 2.89Å; C34-E38 VanDerWaalsContact SG-OE2 3.33Å; E38-P53 VanDerWaalsContact O-CD 3.26Å; E38-P53 WeakPolarHBondContact O-CD 3.35Å |
| 39 | L | 84.5 | Confident | 74.7 | Confident | 20 Ų | 20 | 35.1 Ų | 35.1 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.3 | -177.5 | -60.6 | 174.7 | 0 | 0 | 0 | 109.6 | V29 I50 W51 K52 V59 | V29-L39 HydrophobicContact CB-CB 4.3Å; V29-L39 PolarHBondContact N-O 3.06Å; L39-I50 HydrophobicContact CB-CG2 4.01Å; L39-I50 HydrophobicContact CD1-CG2 4.41Å; L39-I50 HydrophobicContact CD2-CG2 4.08Å; L39-I50 HydrophobicContact CG-CG2 4.4Å; L39-W51 WeakPolarHBondContact CA-O 3.44Å; L39-K52 HydrophobicContact CD2-CB 4.08Å; L39-K52 HydrophobicContact CD2-CG 4.43Å; L39-V59 HydrophobicContact CD2-CG2 3.87Å |
| 40 | C | 86 | Confident | 75.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.2 | 176.6 | 53.6 | 0 | 0 | 0 | 0 | 110 | S27 I50 W51 I369 L377 | S27-C40 WeakPolarHBondContact O-CA 3.5Å; C40-I50 CarbonylContact O-C 3.58Å; C40-I50 WeakPolarHBondContact O-CA 2.94Å; C40-W51 PolarHBondContact N-O 3.02Å; C40-W51 PolarHBondContact O-N 3.5Å; C40-W51 VanDerWaalsContact SG-CB 3.54Å; C40-W51 PolarHBondContact SG-O 2.97Å; C40-I369 HydrophobicContact CB-CD1 3.35Å; C40-I369 VanDerWaalsContact SG-CD1 3.54Å; C40-L377 WeakPolarHBondContact SG-CD2 3.35Å |
| 41 | L | 88.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.1 | 178.6 | -179.7 | 69.6 | 0 | 0 | 0 | 108.7 | V26 S27 V29 A48 I50 F62 L74 A76 V86 | V26-L41 WeakPolarHBondContact CA-O 3.49Å; S27-L41 PolarHBondContact N-O 3.43Å; S27-L41 PolarHBondContact O-N 3.12Å; V29-L41 HydrophobicContact CG2-CB 3.8Å; L41-A48 HydrophobicContact CD1-CB 4.2Å; L41-I50 HydrophobicContact CD1-CG1 3.77Å; L41-F62 HydrophobicContact CD1-CE2 4.31Å; L41-L74 HydrophobicContact CD2-CB 4.34Å; L41-A76 HydrophobicContact CD2-CB 4.27Å; L41-V86 HydrophobicContact CD1-CG1 4.28Å; L41-V86 HydrophobicContact CD1-CG2 4.43Å; L41-V86 HydrophobicContact CD2-CB 4.46Å; L41-V86 HydrophobicContact CD2-CG1 3.75Å; L41-V86 HydrophobicContact CD2-CG2 3.74Å |
| 42 | C | 88 | Confident | 77.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.4 | 177.8 | -61.5 | 0 | 0 | 0 | 0 | 109.7 | A20 V26 A48 I49 | A20-C42 HydrophobicContact CB-CB 4.4Å; V26-C42 HydrophobicContact CG2-CB 4.49Å; C42-A48 WeakPolarHBondContact O-CA 3.49Å; C42-I49 PolarHBondContact N-O 3.32Å; C42-I49 PolarHBondContact O-N 3.04Å |
| 43 | G | 85 | Confident | 78.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 139.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A20 S21 T24 | A20-G43 CarbonylContact C-O 3.51Å; A20-G43 WeakPolarHBondContact CA-O 3.3Å; S21-G43 WeakPolarHBondContact CB-O 3.28Å; S21-G43 PolarHBondContact N-O 3.39Å; S21-G43 PolarHBondContact OG-O 3.37Å; S21-G43 VanDerWaalsContact OG-O 3.05Å; T24-G43 WeakPolarHBondContact OG1-CA 3.42Å; T24-G43 PolarHBondContact OG1-N 3.01Å |
| 44 | A | 84.6 | Confident | 80.5 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 82.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I18 E46 S47 I49 | I18-A44 HydrophobicContact CB-CB 4.06Å; I18-A44 HydrophobicContact CG2-CB 3.86Å; A44-E46 PolarHBondContact O-N 3.38Å; A44-E46 VanDerWaalsContact O-N 3.1Å; A44-S47 CarbonylContact C-O 3.51Å; A44-S47 VanDerWaalsContact CA-O 3.32Å; A44-S47 WeakPolarHBondContact CA-O 3.46Å; A44-S47 PolarHBondContact N-O 3.18Å; A44-S47 PolarHBondContact O-N 3.33Å; A44-S47 VanDerWaalsContact O-O 3.09Å; A44-S47 PolarHBondContact O-OG 2.9Å; A44-I49 HydrophobicContact CB-CD1 3.47Å; A44-I49 VanDerWaalsContact CB-CD1 3.47Å; A44-I49 HydrophobicContact CB-CG1 3.92Å |
| 45 | G | 81.8 | Confident | 82.1 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -111.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P70 I71 | G45-P70 CarbonylContact O-C 3.56Å; G45-P70 WeakPolarHBondContact O-CA 3.4Å; G45-I71 WeakPolarHBondContact O-CG1 3.33Å; G45-I71 PolarHBondContact O-N 3.07Å |
| 46 | E | 83.9 | Confident | 83.4 | Confident | 32 Ų | 32 | 28.1 Ų | 28.1 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.6 | 178 | -70.4 | 155.8 | -164.9 | 0 | 0 | 113.8 | A44 C68 R764 | A44-E46 PolarHBondContact O-N 3.38Å; A44-E46 VanDerWaalsContact O-N 3.1Å; E46-C68 WeakPolarHBondContact OE1-CA 3.37Å; E46-C68 VanDerWaalsContact OE1-CB 3.3Å; E46-C68 WeakPolarHBondContact OE1-CB 3.41Å; E46-R764 IonicContact OE1-CZ 3.02Å; E46-R764 IonicContact OE1-NH1 3.2Å; E46-R764 IonicContact OE1-NH2 3.75Å; E46-R764 PolarHBondContact OE1-NH2 3.36Å; E46-R764 IonicContact OE2-CZ 3.13Å; E46-R764 IonicContact OE2-NH1 3.56Å; E46-R764 PolarHBondContact OE2-NH1 3.27Å; E46-R764 IonicContact OE2-NH2 2.68Å; E46-R764 PolarHBondContact OE2-NH2 2.99Å |
| 47 | S | 87.4 | Confident | 84.6 | Confident | 25 Ų | 25 | 31 Ų | 31 | 18% | 0.175 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.7 | -171.9 | 67.2 | 0 | 0 | 0 | 0 | 112 | A44 F62 I71 | A44-S47 CarbonylContact C-O 3.51Å; A44-S47 VanDerWaalsContact CA-O 3.32Å; A44-S47 WeakPolarHBondContact CA-O 3.46Å; A44-S47 PolarHBondContact N-O 3.18Å; A44-S47 PolarHBondContact O-N 3.33Å; A44-S47 VanDerWaalsContact O-O 3.09Å; A44-S47 PolarHBondContact O-OG 2.9Å; S47-F62 CarbonylContact C-O 3.56Å; S47-F62 WeakPolarHBondContact CA-O 3.43Å; S47-F62 WeakPolarHBondContact CB-O 3.23Å; S47-I71 VanDerWaalsContact O-CD1 3.29Å; S47-I71 WeakPolarHBondContact O-CD1 3.37Å |
| 48 | A | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L41 C42 T61 F62 I71 L74 I88 | L41-A48 HydrophobicContact CD1-CB 4.2Å; C42-A48 WeakPolarHBondContact O-CA 3.49Å; A48-T61 CarbonylContact O-C 3.56Å; A48-T61 WeakPolarHBondContact O-CA 3.48Å; A48-F62 HydrophobicContact CB-CB 4.37Å; A48-F62 HydrophobicContact CB-CD2 4.1Å; A48-F62 PolarHBondContact N-O 2.83Å; A48-F62 PolarHBondContact O-N 3.47Å; A48-I71 HydrophobicContact CB-CD1 3.97Å; A48-L74 HydrophobicContact CB-CD1 4.27Å; A48-L74 HydrophobicContact CB-CD2 3.78Å; A48-I88 HydrophobicContact CB-CD1 3.49Å; A48-I88 VanDerWaalsContact CB-CD1 3.49Å; A48-I88 HydrophobicContact CB-CG1 4.36Å |
| 49 | I | 89.3 | Confident | 86.1 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.4 | -175 | -55.3 | 173.5 | 0 | 0 | 0 | 109.1 | C42 A44 W51 K58 T61 | C42-I49 PolarHBondContact N-O 3.32Å; C42-I49 PolarHBondContact O-N 3.04Å; A44-I49 HydrophobicContact CB-CD1 3.47Å; A44-I49 VanDerWaalsContact CB-CD1 3.47Å; A44-I49 HydrophobicContact CB-CG1 3.92Å; I49-W51 HydrophobicContact CD1-CZ2 4.1Å; I49-W51 HydrophobicContact CG2-CD2 3.97Å; I49-W51 HydrophobicContact CG2-CG 4.2Å; I49-W51 HydrophobicContact CG2-CZ2 3.88Å; I49-K58 HydrophobicContact CG2-CB 4.1Å; I49-T61 HydrophobicContact CG1-CG2 4.19Å |
| 50 | I | 90.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 116.3 | 167.8 | -64.8 | 153.4 | 0 | 0 | 0 | 108.6 | L39 C40 L41 V59 H60 F62 M100 | L39-I50 HydrophobicContact CB-CG2 4.01Å; L39-I50 HydrophobicContact CD1-CG2 4.41Å; L39-I50 HydrophobicContact CD2-CG2 4.08Å; L39-I50 HydrophobicContact CG-CG2 4.4Å; C40-I50 CarbonylContact O-C 3.58Å; C40-I50 WeakPolarHBondContact O-CA 2.94Å; L41-I50 HydrophobicContact CD1-CG1 3.77Å; I50-V59 HydrophobicContact CB-CB 4.42Å; I50-V59 HydrophobicContact CG2-CB 4.15Å; I50-V59 HydrophobicContact CG2-CG2 4.44Å; I50-V59 PolarHBondContact O-N 2.68Å; I50-H60 HydrophobicContact CD1-CB 4.05Å; I50-H60 PolarHBondContact N-O 3.07Å; I50-F62 HydrophobicContact CD1-CE2 3.35Å; I50-F62 HydrophobicContact CD1-CZ 3.57Å; I50-F62 HydrophobicContact CG1-CE2 3.97Å; I50-M100 HydrophobicContact CD1-CE 3.15Å; I50-M100 HydrophobicContact CD1-SD 3.54Å; I50-M100 VanDerWaalsContact CD1-SD 3.54Å; I50-M100 HydrophobicContact CG1-CE 4.05Å; I50-M100 HydrophobicContact CG1-SD 4.5Å |
| 51 | W | 89.3 | Confident | 86.1 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.2 | 176.9 | -66.2 | 101.7 | 0 | 0 | 0 | 110.5 | I19 L39 C40 I49 P53 S56 K58 L377 V413 F416 | I19-W51 HydrophobicContact CB-CZ2 4.45Å; I19-W51 HydrophobicContact CG1-CZ2 4.32Å; I19-W51 HydrophobicContact CG2-CZ2 4.23Å; I19-W51 PolarHBondContact O-NE1 3.27Å; L39-W51 WeakPolarHBondContact CA-O 3.44Å; C40-W51 PolarHBondContact N-O 3.02Å; C40-W51 PolarHBondContact O-N 3.5Å; C40-W51 VanDerWaalsContact SG-CB 3.54Å; C40-W51 PolarHBondContact SG-O 2.97Å; I49-W51 HydrophobicContact CD1-CZ2 4.1Å; I49-W51 HydrophobicContact CG2-CD2 3.97Å; I49-W51 HydrophobicContact CG2-CG 4.2Å; I49-W51 HydrophobicContact CG2-CZ2 3.88Å; W51-P53 WeakPolarHBondContact O-CD 3.27Å; W51-S56 WeakPolarHBondContact CZ3-O 3.37Å; W51-K58 HydrophobicContact CE3-CB 4.38Å; W51-K58 HydrophobicContact CH2-CB 4.36Å; W51-K58 HydrophobicContact CZ3-CB 4.07Å; W51-L377 HydrophobicContact CB-CD2 4.37Å; W51-V413 HydrophobicContact CD2-CG1 4.32Å; W51-V413 HydrophobicContact CE3-CG1 3.99Å; W51-V413 HydrophobicContact CH2-CG1 4.48Å; W51-V413 HydrophobicContact CZ3-CG1 4.07Å; W51-F416 HydrophobicContact CH2-CB 3.82Å; W51-F416 AromaticContact CH2-CD2 3.7Å; W51-F416 HydrophobicContact CH2-CD2 3.7Å; W51-F416 HydrophobicContact CH2-CE2 4.48Å; W51-F416 AromaticContact CH2-CG 3.79Å; W51-F416 HydrophobicContact CH2-CG 3.79Å; W51-F416 AromaticContact CZ3-CD2 3.57Å; W51-F416 HydrophobicContact CZ3-CD2 3.57Å; W51-F416 HydrophobicContact CZ3-CE2 4.01Å; W51-F416 HydrophobicContact CZ3-CG 4.13Å |
| 52 | K | 88.3 | Confident | 86 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 29% | 0.291 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 99.6 | 161.8 | -174.7 | 170.2 | -178.8 | 179 | 0 | 107.8 | L39 R54 T55 S56 E57 V59 | L39-K52 HydrophobicContact CD2-CB 4.08Å; L39-K52 HydrophobicContact CD2-CG 4.43Å; K52-R54 PolarHBondContact O-N 3.23Å; K52-R54 VanDerWaalsContact O-N 3.11Å; K52-T55 HydrophobicContact CD-CG2 4.18Å; K52-T55 WeakPolarHBondContact CD-OG1 3.26Å; K52-T55 PolarHBondContact O-N 3.3Å; K52-T55 VanDerWaalsContact O-N 3.16Å; K52-S56 WeakPolarHBondContact O-CA 3.5Å; K52-S56 PolarHBondContact O-N 3.09Å; K52-E57 PolarHBondContact N-O 3.1Å; K52-V59 HydrophobicContact CB-CG2 4.16Å |
| 53 | P | 84.6 | Confident | 85.6 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30 | -169.8 | 23.9 | -32.5 | 0 | 0 | 0 | 112.6 | E38 W51 E379 N411 | E38-P53 VanDerWaalsContact O-CD 3.26Å; E38-P53 WeakPolarHBondContact O-CD 3.35Å; W51-P53 WeakPolarHBondContact O-CD 3.27Å; P53-E379 WeakPolarHBondContact CG-OE2 3.17Å; P53-N411 HydrophobicContact CB-CB 4.14Å; P53-N411 WeakPolarHBondContact O-CB 3.42Å |
| 54 | R | 85.5 | Confident | 85.2 | Confident | 200 Ų | 200 | 46.6 Ų | 46.6 | 76% | 0.755 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -39.6 | 178.6 | -172.6 | 177.8 | 179.4 | 177.6 | -0.5 | 114 | K52 | K52-R54 PolarHBondContact O-N 3.23Å; K52-R54 VanDerWaalsContact O-N 3.11Å |
| 55 | T | 85.4 | Confident | 84.4 | Confident | 61 Ų | 61 | 52.8 Ų | 52.8 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11.3 | 177.8 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | K52 E57 | K52-T55 HydrophobicContact CD-CG2 4.18Å; K52-T55 WeakPolarHBondContact CD-OG1 3.26Å; K52-T55 PolarHBondContact O-N 3.3Å; K52-T55 VanDerWaalsContact O-N 3.16Å; T55-E57 WeakPolarHBondContact CB-OE2 3.42Å; T55-E57 PolarHBondContact O-N 3.39Å; T55-E57 WeakPolarHBondContact OG1-CB 3.41Å; T55-E57 PolarHBondContact OG1-N 3.48Å; T55-E57 PolarHBondContact OG1-OE2 2.8Å |
| 56 | S | 83.5 | Confident | 83.5 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 20.3 | -169.4 | -60.1 | 0 | 0 | 0 | 0 | 113.6 | W51 K52 F416 | W51-S56 WeakPolarHBondContact CZ3-O 3.37Å; K52-S56 WeakPolarHBondContact O-CA 3.5Å; K52-S56 PolarHBondContact O-N 3.09Å; S56-F416 WeakPolarHBondContact O-CE2 3.48Å |
| 57 | E | 84.4 | Confident | 82.5 | Confident | 115 Ų | 115 | 57.3 Ų | 57.3 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 144.8 | 179.4 | -68.2 | 165.9 | 152.7 | 0 | 0 | 111.2 | K52 T55 | K52-E57 PolarHBondContact N-O 3.1Å; T55-E57 WeakPolarHBondContact CB-OE2 3.42Å; T55-E57 PolarHBondContact O-N 3.39Å; T55-E57 WeakPolarHBondContact OG1-CB 3.41Å; T55-E57 PolarHBondContact OG1-N 3.48Å; T55-E57 PolarHBondContact OG1-OE2 2.8Å |
| 58 | K | 84.7 | Confident | 81.6 | Confident | 102 Ų | 102 | 58.1 Ų | 58.1 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 121.9 | 166.3 | 61.4 | -178.9 | -176 | 178.1 | 0 | 108.6 | I49 W51 T450 | I49-K58 HydrophobicContact CG2-CB 4.1Å; W51-K58 HydrophobicContact CE3-CB 4.38Å; W51-K58 HydrophobicContact CH2-CB 4.36Å; W51-K58 HydrophobicContact CZ3-CB 4.07Å; K58-T450 PolarHBondContact NZ-OG1 2.84Å |
| 59 | V | 84 | Confident | 81.2 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -54.9 | 180 | -177.4 | 0 | 0 | 0 | 0 | 110 | L39 I50 K52 | L39-V59 HydrophobicContact CD2-CG2 3.87Å; I50-V59 HydrophobicContact CB-CB 4.42Å; I50-V59 HydrophobicContact CG2-CB 4.15Å; I50-V59 HydrophobicContact CG2-CG2 4.44Å; I50-V59 PolarHBondContact O-N 2.68Å; K52-V59 HydrophobicContact CB-CG2 4.16Å |
| 60 | H | 83.4 | Confident | 81 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.5 | 175.6 | -73.8 | -70.4 | 0 | 0 | 0 | 110.1 | I50 F62 | I50-H60 HydrophobicContact CD1-CB 4.05Å; I50-H60 PolarHBondContact N-O 3.07Å; H60-F62 HydrophobicContact CB-CZ 4.39Å |
| 61 | T | 86.5 | Confident | 81 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 44% | 0.436 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 115.1 | 172.8 | -58.1 | 0 | 0 | 0 | 0 | 107.1 | A48 I49 | A48-T61 CarbonylContact O-C 3.56Å; A48-T61 WeakPolarHBondContact O-CA 3.48Å; I49-T61 HydrophobicContact CG1-CG2 4.19Å |
| 62 | F | 86.2 | Confident | 81 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.2 | 174.1 | -53.4 | -71.1 | 0 | 0 | 0 | 108 | L41 S47 A48 I50 H60 V86 I88 F98 M100 | L41-F62 HydrophobicContact CD1-CE2 4.31Å; S47-F62 CarbonylContact C-O 3.56Å; S47-F62 WeakPolarHBondContact CA-O 3.43Å; S47-F62 WeakPolarHBondContact CB-O 3.23Å; A48-F62 HydrophobicContact CB-CB 4.37Å; A48-F62 HydrophobicContact CB-CD2 4.1Å; A48-F62 PolarHBondContact N-O 2.83Å; A48-F62 PolarHBondContact O-N 3.47Å; I50-F62 HydrophobicContact CD1-CE2 3.35Å; I50-F62 HydrophobicContact CD1-CZ 3.57Å; I50-F62 HydrophobicContact CG1-CE2 3.97Å; H60-F62 HydrophobicContact CB-CZ 4.39Å; F62-V86 HydrophobicContact CE2-CB 4.46Å; F62-V86 HydrophobicContact CE2-CG1 4.45Å; F62-I88 HydrophobicContact CB-CD1 3.73Å; F62-I88 HydrophobicContact CG-CD1 4.4Å; F62-F98 HydrophobicContact CB-CD1 3.93Å; F62-F98 HydrophobicContact CB-CD2 4.15Å; F62-F98 HydrophobicContact CB-CE1 3.82Å; F62-F98 HydrophobicContact CB-CE2 4.12Å; F62-F98 HydrophobicContact CB-CG 4.05Å; F62-F98 HydrophobicContact CB-CZ 3.93Å; F62-F98 HydrophobicContact CD1-CB 3.56Å; F62-F98 AromaticContact CD1-CD1 3.44Å; F62-F98 HydrophobicContact CD1-CD1 3.44Å; F62-F98 VanDerWaalsContact CD1-CD1 3.44Å; F62-F98 HydrophobicContact CD1-CD2 4.42Å; F62-F98 HydrophobicContact CD1-CE1 4.13Å; F62-F98 AromaticContact CD1-CG 3.57Å; F62-F98 HydrophobicContact CD1-CG 3.57Å; F62-F98 HydrophobicContact CE1-CB 3.69Å; F62-F98 HydrophobicContact CE1-CD1 4.31Å; F62-F98 HydrophobicContact CE1-CG 4.23Å; F62-F98 HydrophobicContact CG-CB 4.19Å; F62-F98 HydrophobicContact CG-CD1 4.03Å; F62-F98 HydrophobicContact CG-CD2 4.39Å; F62-F98 HydrophobicContact CG-CE1 4.42Å; F62-F98 AromaticContact CG-CG 3.96Å; F62-F98 HydrophobicContact CG-CG 3.96Å; F62-F98 HydrophobicContact CZ-CB 4.44Å; F62-M100 HydrophobicContact CE2-SD 4Å; F62-M100 HydrophobicContact CZ-SD 3.67Å |
| 63 | A | 81 | Confident | 80.9 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 44% | 0.438 | 33% | 0.327 | S | S | . | . | trans | -123.1 | 153 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 64 | R | 76.4 | Confident | 81.2 | Confident | 59 Ų | 59 | 61 Ų | 61 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | trans | -84 | 143.1 | 169.4 | -169.7 | 175.4 | 163.2 | -161.4 | -15.9 | 108.9 | T66 Y90 D92 | R64-T66 VanDerWaalsContact C-N 3.3Å; R64-T66 WeakPolarHBondContact CD-O 3.27Å; R64-T66 VanDerWaalsContact CG-O 3.23Å; R64-T66 WeakPolarHBondContact CG-O 3.45Å; R64-T66 PolarHBondContact NE-O 3.25Å; R64-T66 PolarHBondContact NH2-O 2.67Å; R64-T66 PolarHBondContact O-N 2.83Å; R64-Y90 HydrophobicContact CB-CE1 4.49Å; R64-D92 IonicContact CZ-OD2 2.83Å; R64-D92 IonicContact NH1-OD2 3.98Å; R64-D92 PolarHBondContact NH1-OD2 3.35Å | ||
| 65 | D | 67 | Low | 81.4 | Confident | 135 Ų | 135 | 54.5 Ų | 54.5 | 72% | 0.722 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -71.1 | -28.6 | 177.3 | -59.2 | -33 | 0 | 0 | 0 | 112.6 | ||
| 66 | T | 63.8 | Low | 81.4 | Confident | 91 Ų | 91 | 52.1 Ų | 52.1 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -129.4 | 134.3 | -172.6 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | R64 | R64-T66 VanDerWaalsContact C-N 3.3Å; R64-T66 WeakPolarHBondContact CD-O 3.27Å; R64-T66 VanDerWaalsContact CG-O 3.23Å; R64-T66 WeakPolarHBondContact CG-O 3.45Å; R64-T66 PolarHBondContact NE-O 3.25Å; R64-T66 PolarHBondContact NH2-O 2.67Å; R64-T66 PolarHBondContact O-N 2.83Å |
| 67 | G | 62.2 | Low | 81.1 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | trans | 85.1 | 155.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 68 | C | 68.8 | Low | 80.3 | Confident | 42 Ų | 42 | 50.3 Ų | 50.3 | 28% | 0.284 | 29% | 0.287 | S | S | . | . | trans | -122.3 | 44.6 | -168.7 | -61 | 0 | 0 | 0 | 0 | 111.7 | E46 K698 | E46-C68 WeakPolarHBondContact OE1-CA 3.37Å; E46-C68 VanDerWaalsContact OE1-CB 3.3Å; E46-C68 WeakPolarHBondContact OE1-CB 3.41Å; C68-K698 PolarHBondContact SG-O 3.31Å; C68-K698 VanDerWaalsContact SG-O 3.34Å | ||
| 69 | H | 81.2 | Confident | 79 | Confident | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.398 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -97 | 135.6 | -178.7 | -68.2 | -59.6 | 0 | 0 | 0 | 111.3 | Y90 D92 | H69-Y90 WeakPolarHBondContact O-CD1 3.42Å; H69-D92 HydrophobicContact CB-CB 4.41Å; H69-D92 IonicContact CD2-OD2 2.87Å; H69-D92 PolarHBondContact CD2-OD2 3.34Å; H69-D92 VanDerWaalsContact CD2-OD2 3.25Å; H69-D92 IonicContact CG-OD2 3.66Å |
| 70 | P | 85.4 | Confident | 77.6 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 149.8 | -179.1 | 27.6 | -33.8 | 0 | 0 | 0 | 111.3 | G45 S72 S91 N701 | G45-P70 CarbonylContact O-C 3.56Å; G45-P70 WeakPolarHBondContact O-CA 3.4Å; P70-S72 PolarHBondContact O-N 2.7Å; P70-S91 WeakPolarHBondContact CD-OG 3.43Å; P70-S91 PolarHBondContact O-N 3.37Å; P70-N701 WeakPolarHBondContact CD-OD1 3.22Å |
| 71 | I | 90.2 | Very high | 76.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.2 | 174.3 | -60.1 | 173.6 | 0 | 0 | 0 | 108.9 | S23 T24 G45 S47 A48 L74 I88 G89 Y90 | S23-I71 PolarHBondContact OG-O 3.17Å; T24-I71 HydrophobicContact CG2-CB 4.13Å; T24-I71 HydrophobicContact CG2-CG2 3.6Å; G45-I71 WeakPolarHBondContact O-CG1 3.33Å; G45-I71 PolarHBondContact O-N 3.07Å; S47-I71 VanDerWaalsContact O-CD1 3.29Å; S47-I71 WeakPolarHBondContact O-CD1 3.37Å; A48-I71 HydrophobicContact CB-CD1 3.97Å; I71-L74 HydrophobicContact CG2-CD1 4.32Å; I71-L74 HydrophobicContact CG2-CD2 3.86Å; I71-L74 HydrophobicContact CG2-CG 3.77Å; I71-I88 HydrophobicContact CB-CG2 4.29Å; I71-I88 HydrophobicContact CD1-CG2 3.61Å; I71-I88 HydrophobicContact CG1-CG2 3.63Å; I71-I88 HydrophobicContact CG2-CG2 3.71Å; I71-G89 WeakPolarHBondContact CG2-O 3.34Å; I71-Y90 HydrophobicContact CG1-CD1 4.02Å; I71-Y90 HydrophobicContact CG1-CE1 3.8Å |
| 72 | S | 87.4 | Confident | 75.1 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -35.7 | 178 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | P70 G89 Y90 R115 V116 | P70-S72 PolarHBondContact O-N 2.7Å; S72-G89 PolarHBondContact N-O 3.35Å; S72-G89 PolarHBondContact OG-O 3.47Å; S72-Y90 PolarHBondContact OG-O 2.88Å; S72-R115 VanDerWaalsContact CB-NE 3.28Å; S72-V116 WeakPolarHBondContact CB-O 2.92Å; S72-V116 PolarHBondContact OG-O 3.14Å |
| 73 | C | 87.6 | Confident | 74.2 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 149.8 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | G89 V116 M119 | C73-G89 PolarHBondContact N-O 3.47Å; C73-G89 PolarHBondContact O-N 2.78Å; C73-V116 WeakPolarHBondContact SG-CG1 3.46Å; C73-M119 WeakPolarHBondContact SG-CG 3.43Å |
| 74 | L | 90.7 | Very high | 74.1 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.8 | -179.1 | -71.5 | 170 | 0 | 0 | 0 | 110.3 | T24 L41 A48 I71 I88 | T24-L74 HydrophobicContact CG2-CD1 3.95Å; T24-L74 HydrophobicContact CG2-CG 4.12Å; L41-L74 HydrophobicContact CD2-CB 4.34Å; A48-L74 HydrophobicContact CB-CD1 4.27Å; A48-L74 HydrophobicContact CB-CD2 3.78Å; I71-L74 HydrophobicContact CG2-CD1 4.32Å; I71-L74 HydrophobicContact CG2-CD2 3.86Å; I71-L74 HydrophobicContact CG2-CG 3.77Å; L74-I88 HydrophobicContact CD2-CB 4.03Å; L74-I88 HydrophobicContact CD2-CD1 4.17Å; L74-I88 HydrophobicContact CD2-CG1 3.62Å; L74-I88 HydrophobicContact CD2-CG2 3.91Å |
| 75 | K | 88.8 | Confident | 74.6 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 27% | 0.274 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 129 | 171.2 | -171.9 | 72.2 | -173.2 | -140.5 | 0 | 110.6 | A87 D120 L121 | K75-A87 PolarHBondContact N-O 3.34Å; K75-A87 PolarHBondContact O-N 3.48Å; K75-D120 WeakPolarHBondContact CE-OD1 3.42Å; K75-D120 IonicContact NZ-OD1 2.79Å; K75-D120 PolarHBondContact NZ-OD1 3.14Å; K75-L121 HydrophobicContact CG-CB 4.04Å |
| 76 | A | 85.7 | Confident | 75.6 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 150.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | V29 L41 V86 | V29-A76 HydrophobicContact CG2-CB 3.89Å; L41-A76 HydrophobicContact CD2-CB 4.27Å; A76-V86 HydrophobicContact CB-CG2 3.95Å |
| 77 | S | 78.2 | Confident | 76.8 | Confident | 17 Ų | 17 | 43 Ų | 43 | 12% | 0.119 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 150.5 | 173.7 | 68.2 | 0 | 0 | 0 | 0 | 111.8 | S81 P84 R85 | S77-S81 PolarHBondContact OG-OG 2.76Å; S77-P84 WeakPolarHBondContact OG-CA 3.35Å; S77-R85 WeakPolarHBondContact CB-O 3.37Å; S77-R85 PolarHBondContact N-O 3.45Å; S77-R85 PolarHBondContact OG-N 2.81Å; S77-R85 PolarHBondContact OG-O 2.94Å |
| 78 | D | 67.9 | Low | 78.2 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -71.7 | 158 | 174.7 | -68.1 | -33 | 0 | 0 | 0 | 112 | S80 S81 | D78-S80 PolarHBondContact O-N 3.32Å; D78-S81 PolarHBondContact O-N 3.38Å |
| 79 | I | 57.2 | Low | 79.2 | Confident | 116 Ų | 116 | 38.8 Ų | 38.8 | 60% | 0.595 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -16.5 | -168.5 | -36.9 | -166.3 | 0 | 0 | 0 | 114.5 | S30 | S30-I79 VanDerWaalsContact OG-CD1 3.22Å; S30-I79 WeakPolarHBondContact OG-CD1 3.42Å; S30-I79 WeakPolarHBondContact OG-CG1 3.03Å |
| 80 | S | 53.3 | Low | 79.6 | Confident | 94 Ų | 94 | 34.8 Ų | 34.8 | 66% | 0.657 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -11.4 | -171.4 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | D78 | D78-S80 PolarHBondContact O-N 3.32Š|
| 81 | S | 57.3 | Low | 79.6 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | trans | -78.3 | 139.5 | 179.3 | 65.2 | 0 | 0 | 0 | 0 | 111.4 | S77 D78 D83 | S77-S81 PolarHBondContact OG-OG 2.76Å; D78-S81 PolarHBondContact O-N 3.38Å; S81-D83 WeakPolarHBondContact CB-O 3.16Å; S81-D83 PolarHBondContact O-N 3.25Å; S81-D83 PolarHBondContact OG-O 2.82Å | ||
| 82 | L | 60.9 | Low | 79.2 | Confident | 135 Ų | 135 | 36 Ų | 36 | 71% | 0.707 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -60 | -31.8 | 175 | -109.6 | 84.2 | 0 | 0 | 0 | 111 | K32 | K32-L82 WeakPolarHBondContact CE-O 3.23Å; K32-L82 PolarHBondContact NZ-O 2.78Å |
| 83 | D | 68.3 | Low | 78.8 | Confident | 83 Ų | 83 | 35.8 Ų | 35.8 | 44% | 0.444 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -120.5 | 112.4 | 179.4 | -61.1 | -40.2 | 0 | 0 | 0 | 109.1 | S81 R85 | S81-D83 WeakPolarHBondContact CB-O 3.16Å; S81-D83 PolarHBondContact O-N 3.25Å; S81-D83 PolarHBondContact OG-O 2.82Å; D83-R85 PolarHBondContact O-N 3.4Å |
| 84 | P | 78.8 | Confident | 78.7 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 8% | 0.078 | 20% | 0.204 | C | C | . | . | trans | -69.8 | 128.7 | 177.8 | 21.3 | -21.8 | 0 | 0 | 0 | 109.6 | S77 M100 | S77-P84 WeakPolarHBondContact OG-CA 3.35Å; P84-M100 HydrophobicContact CB-CB 3.89Å; P84-M100 HydrophobicContact CB-CG 3.93Å; P84-M100 HydrophobicContact CG-CB 3.88Å; P84-M100 HydrophobicContact CG-CG 4.48Å; P84-M100 WeakPolarHBondContact O-CB 3.45Å; P84-M100 VanDerWaalsContact O-CG 3.25Å; P84-M100 WeakPolarHBondContact O-CG 3.49Å; P84-M100 PolarHBondContact O-N 2.85Å | ||
| 85 | R | 85.7 | Confident | 78.5 | Confident | 25 Ų | 25 | 35.8 Ų | 35.8 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.3 | -177.9 | -68.8 | 175.1 | 177.5 | 152.2 | 1 | 110.6 | S77 D83 I97 F98 E106 L121 D124 | S77-R85 WeakPolarHBondContact CB-O 3.37Å; S77-R85 PolarHBondContact N-O 3.45Å; S77-R85 PolarHBondContact OG-N 2.81Å; S77-R85 PolarHBondContact OG-O 2.94Å; D83-R85 PolarHBondContact O-N 3.4Å; R85-I97 HydrophobicContact CB-CG2 4.08Å; R85-I97 HydrophobicContact CG-CG2 4.29Å; R85-F98 CarbonylContact C-O 3.41Å; R85-F98 VanDerWaalsContact CA-O 3.3Å; R85-F98 WeakPolarHBondContact CA-O 3.35Å; R85-E106 WeakPolarHBondContact CD-OE2 3.37Å; R85-E106 IonicContact CZ-OE1 3.52Å; R85-E106 VanDerWaalsContact CZ-OE1 3.24Å; R85-E106 IonicContact CZ-OE2 3.7Å; R85-E106 VanDerWaalsContact NE-CD 3.3Å; R85-E106 IonicContact NE-OE1 3.92Å; R85-E106 PolarHBondContact NE-OE1 3.03Å; R85-E106 IonicContact NE-OE2 3.23Å; R85-E106 PolarHBondContact NE-OE2 2.9Å; R85-E106 IonicContact NH2-OE1 3.91Å; R85-E106 PolarHBondContact NH2-OE1 2.92Å; R85-E106 IonicContact NH2-OE2 2.77Å; R85-L121 HydrophobicContact CB-CD2 4.06Å; R85-D124 IonicContact CZ-OD1 3.9Å; R85-D124 IonicContact NH1-OD1 3.74Å; R85-D124 PolarHBondContact NH1-OD1 2.79Å; R85-D124 IonicContact NH2-OD1 2.99Å |
| 86 | V | 88.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.7 | 170.8 | 161.1 | 0 | 0 | 0 | 0 | 109.6 | L41 F62 A76 I88 I97 F98 M100 | L41-V86 HydrophobicContact CD1-CG1 4.28Å; L41-V86 HydrophobicContact CD1-CG2 4.43Å; L41-V86 HydrophobicContact CD2-CB 4.46Å; L41-V86 HydrophobicContact CD2-CG1 3.75Å; L41-V86 HydrophobicContact CD2-CG2 3.74Å; F62-V86 HydrophobicContact CE2-CB 4.46Å; F62-V86 HydrophobicContact CE2-CG1 4.45Å; A76-V86 HydrophobicContact CB-CG2 3.95Å; V86-I88 HydrophobicContact CG1-CD1 4.41Å; V86-I88 HydrophobicContact CG1-CG1 3.88Å; V86-I97 CarbonylContact O-C 3.36Å; V86-I97 WeakPolarHBondContact O-CA 3.23Å; V86-F98 PolarHBondContact N-O 3.4Å; V86-F98 PolarHBondContact O-N 2.99Å; V86-M100 HydrophobicContact CB-SD 3.98Å; V86-M100 HydrophobicContact CG2-CG 3.89Å; V86-M100 HydrophobicContact CG2-SD 3.14Å; V86-M100 WeakPolarHBondContact CG2-SD 3.49Å |
| 87 | A | 89.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | K75 N96 M119 L121 L126 | K75-A87 PolarHBondContact N-O 3.34Å; K75-A87 PolarHBondContact O-N 3.48Å; A87-N96 CarbonylContact C-O 3.58Å; A87-N96 WeakPolarHBondContact CA-O 3.42Å; A87-M119 HydrophobicContact CB-CE 3.6Å; A87-M119 WeakPolarHBondContact O-CE 3.47Å; A87-L121 HydrophobicContact CB-CD2 4.24Å; A87-L126 HydrophobicContact CB-CD1 3.82Å |
| 88 | I | 90.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120 | 178.7 | -52.6 | -168.5 | 0 | 0 | 0 | 108.4 | A48 F62 I71 L74 V86 Y90 V95 N96 F98 | A48-I88 HydrophobicContact CB-CD1 3.49Å; A48-I88 VanDerWaalsContact CB-CD1 3.49Å; A48-I88 HydrophobicContact CB-CG1 4.36Å; F62-I88 HydrophobicContact CB-CD1 3.73Å; F62-I88 HydrophobicContact CG-CD1 4.4Å; I71-I88 HydrophobicContact CB-CG2 4.29Å; I71-I88 HydrophobicContact CD1-CG2 3.61Å; I71-I88 HydrophobicContact CG1-CG2 3.63Å; I71-I88 HydrophobicContact CG2-CG2 3.71Å; L74-I88 HydrophobicContact CD2-CB 4.03Å; L74-I88 HydrophobicContact CD2-CD1 4.17Å; L74-I88 HydrophobicContact CD2-CG1 3.62Å; L74-I88 HydrophobicContact CD2-CG2 3.91Å; V86-I88 HydrophobicContact CG1-CD1 4.41Å; V86-I88 HydrophobicContact CG1-CG1 3.88Å; I88-Y90 HydrophobicContact CB-CE2 4.49Å; I88-Y90 HydrophobicContact CG2-CE1 4.06Å; I88-Y90 HydrophobicContact CG2-CE2 4.04Å; I88-V95 CarbonylContact O-C 3.58Å; I88-V95 VanDerWaalsContact O-CA 3.23Å; I88-V95 WeakPolarHBondContact O-CA 3.38Å; I88-N96 PolarHBondContact N-O 3.11Å; I88-N96 PolarHBondContact O-N 3.46Å; I88-F98 HydrophobicContact CB-CE2 4.36Å; I88-F98 HydrophobicContact CD1-CD2 3.61Å; I88-F98 HydrophobicContact CD1-CE2 3.44Å; I88-F98 VanDerWaalsContact CD1-CE2 3.44Å; I88-F98 HydrophobicContact CD1-CZ 4.33Å; I88-F98 HydrophobicContact CG1-CD2 3.87Å; I88-F98 HydrophobicContact CG1-CE2 3.95Å |
| 89 | G | 89.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I71 S72 C73 | I71-G89 WeakPolarHBondContact CG2-O 3.34Å; S72-G89 PolarHBondContact N-O 3.35Å; S72-G89 PolarHBondContact OG-O 3.47Å; C73-G89 PolarHBondContact N-O 3.47Å; C73-G89 PolarHBondContact O-N 2.78Å |
| 90 | Y | 89.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 165.6 | -177.6 | -63.4 | -81.9 | 0 | 0 | 0 | 111.8 | R64 H69 I71 S72 I88 D92 G93 L94 N96 V116 | R64-Y90 HydrophobicContact CB-CE1 4.49Å; H69-Y90 WeakPolarHBondContact O-CD1 3.42Å; I71-Y90 HydrophobicContact CG1-CD1 4.02Å; I71-Y90 HydrophobicContact CG1-CE1 3.8Å; S72-Y90 PolarHBondContact OG-O 2.88Å; I88-Y90 HydrophobicContact CB-CE2 4.49Å; I88-Y90 HydrophobicContact CG2-CE1 4.06Å; I88-Y90 HydrophobicContact CG2-CE2 4.04Å; Y90-D92 WeakPolarHBondContact CB-OD1 3.47Å; Y90-D92 PolarHBondContact O-N 3.06Å; Y90-G93 PolarHBondContact O-N 2.73Å; Y90-L94 HydrophobicContact CD2-CB 4.17Å; Y90-L94 WeakPolarHBondContact CD2-O 3.42Å; Y90-L94 PolarHBondContact N-O 2.87Å; Y90-N96 HydrophobicContact CE2-CB 4.05Å; Y90-V116 PolarHBondContact O-N 3.06Å |
| 91 | S | 86.8 | Confident | 82.2 | Confident | 36 Ų | 36 | 23.4 Ų | 23.4 | 25% | 0.252 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.1 | 178.5 | 69.8 | 0 | 0 | 0 | 0 | 115 | P70 R115 | P70-S91 WeakPolarHBondContact CD-OG 3.43Å; P70-S91 PolarHBondContact O-N 3.37Å; S91-R115 WeakPolarHBondContact O-CA 3.36Å; S91-R115 PolarHBondContact O-N 2.97Å |
| 92 | D | 81.2 | Confident | 83.3 | Confident | 26 Ų | 26 | 25.9 Ų | 25.9 | 14% | 0.139 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -2.1 | 177.4 | 62.2 | -1.7 | 0 | 0 | 0 | 113.6 | R64 H69 Y90 L94 | R64-D92 IonicContact CZ-OD2 2.83Å; R64-D92 IonicContact NH1-OD2 3.98Å; R64-D92 PolarHBondContact NH1-OD2 3.35Å; H69-D92 HydrophobicContact CB-CB 4.41Å; H69-D92 IonicContact CD2-OD2 2.87Å; H69-D92 PolarHBondContact CD2-OD2 3.34Å; H69-D92 VanDerWaalsContact CD2-OD2 3.25Å; H69-D92 IonicContact CG-OD2 3.66Å; Y90-D92 WeakPolarHBondContact CB-OD1 3.47Å; Y90-D92 PolarHBondContact O-N 3.06Å; D92-L94 WeakPolarHBondContact OD1-CB 3.16Å; D92-L94 PolarHBondContact OD1-N 3.15Å; D92-L94 WeakPolarHBondContact OD2-CD1 3.26Å |
| 93 | G | 80.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 91.4 | 3.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y90 A111 S114 | Y90-G93 PolarHBondContact O-N 2.73Å; G93-A111 PolarHBondContact O-N 3.02Å; G93-S114 WeakPolarHBondContact CA-O 3.31Å; G93-S114 PolarHBondContact N-O 3.22Å |
| 94 | L | 83.7 | Confident | 84.7 | Confident | 26 Ų | 26 | 21.5 Ų | 21.5 | 14% | 0.136 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 146.5 | 171.7 | -75 | 165.1 | 0 | 0 | 0 | 111.3 | Y90 D92 F109 R110 | Y90-L94 HydrophobicContact CD2-CB 4.17Å; Y90-L94 WeakPolarHBondContact CD2-O 3.42Å; Y90-L94 PolarHBondContact N-O 2.87Å; D92-L94 WeakPolarHBondContact OD1-CB 3.16Å; D92-L94 PolarHBondContact OD1-N 3.15Å; D92-L94 WeakPolarHBondContact OD2-CD1 3.26Å; L94-F109 WeakPolarHBondContact CA-O 3.35Å; L94-R110 HydrophobicContact CD2-CB 3.8Å; L94-R110 HydrophobicContact CD2-CG 3.91Å; L94-R110 HydrophobicContact CG-CG 4.44Å |
| 95 | V | 86.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 116.8 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | I88 F109 V116 M119 L126 C128 | I88-V95 CarbonylContact O-C 3.58Å; I88-V95 VanDerWaalsContact O-CA 3.23Å; I88-V95 WeakPolarHBondContact O-CA 3.38Å; V95-F109 HydrophobicContact CB-CB 4.33Å; V95-F109 PolarHBondContact N-O 2.93Å; V95-F109 PolarHBondContact O-N 3.2Å; V95-V116 HydrophobicContact CG2-CG1 4.22Å; V95-V116 HydrophobicContact CG2-CG2 3.75Å; V95-M119 HydrophobicContact CB-SD 4.37Å; V95-M119 HydrophobicContact CG1-CE 4.24Å; V95-M119 HydrophobicContact CG1-SD 3.57Å; V95-M119 VanDerWaalsContact CG1-SD 3.57Å; V95-M119 HydrophobicContact CG2-SD 3.84Å; V95-L126 HydrophobicContact CG1-CD2 3.7Å; V95-C128 HydrophobicContact CG2-CB 4.33Å |
| 96 | N | 86.5 | Confident | 84.5 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139 | 177.6 | -68.8 | 14 | 0 | 0 | 0 | 109.3 | A87 I88 Y90 F98 I105 N108 | A87-N96 CarbonylContact C-O 3.58Å; A87-N96 WeakPolarHBondContact CA-O 3.42Å; I88-N96 PolarHBondContact N-O 3.11Å; I88-N96 PolarHBondContact O-N 3.46Å; Y90-N96 HydrophobicContact CE2-CB 4.05Å; N96-F98 HydrophobicContact CB-CD2 4.17Å; N96-F98 HydrophobicContact CB-CE2 3.55Å; N96-F98 HydrophobicContact CB-CZ 4.26Å; N96-I105 HydrophobicContact CB-CG2 4.21Å; N96-N108 PolarHBondContact ND2-OD1 3.38Å; N96-N108 PolarHBondContact OD1-OD1 3.48Å |
| 97 | I | 88.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.7 | 173.7 | -54.7 | -173.4 | 0 | 0 | 0 | 107.2 | R85 V86 I105 E106 A107 F109 L126 I139 | R85-I97 HydrophobicContact CB-CG2 4.08Å; R85-I97 HydrophobicContact CG-CG2 4.29Å; V86-I97 CarbonylContact O-C 3.36Å; V86-I97 WeakPolarHBondContact O-CA 3.23Å; I97-I105 CarbonylContact O-C 3.56Å; I97-E106 PolarHBondContact O-N 3.44Å; I97-A107 HydrophobicContact CB-CB 4.37Å; I97-A107 HydrophobicContact CD1-CB 4.41Å; I97-A107 PolarHBondContact N-O 3.1Å; I97-A107 PolarHBondContact O-N 3.03Å; I97-F109 HydrophobicContact CD1-CD2 4.04Å; I97-F109 HydrophobicContact CD1-CE2 3.64Å; I97-F109 HydrophobicContact CG1-CD2 4.38Å; I97-F109 HydrophobicContact CG1-CE2 4.35Å; I97-L126 HydrophobicContact CD1-CB 4.48Å; I97-L126 HydrophobicContact CD1-CD2 3.74Å; I97-L126 HydrophobicContact CG1-CD2 4.16Å; I97-I139 HydrophobicContact CD1-CB 4.41Å; I97-I139 HydrophobicContact CD1-CD1 3.41Å; I97-I139 VanDerWaalsContact CD1-CD1 3.41Å; I97-I139 HydrophobicContact CD1-CG1 3.42Å; I97-I139 VanDerWaalsContact CD1-CG1 3.42Å; I97-I139 HydrophobicContact CD1-CG2 4.17Å |
| 98 | F | 87.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143.2 | 178.5 | -69.2 | -96.8 | 0 | 0 | 0 | 110.2 | F62 R85 V86 I88 N96 G103 D104 I105 | F62-F98 HydrophobicContact CB-CD1 3.93Å; F62-F98 HydrophobicContact CB-CD2 4.15Å; F62-F98 HydrophobicContact CB-CE1 3.82Å; F62-F98 HydrophobicContact CB-CE2 4.12Å; F62-F98 HydrophobicContact CB-CG 4.05Å; F62-F98 HydrophobicContact CB-CZ 3.93Å; F62-F98 HydrophobicContact CD1-CB 3.56Å; F62-F98 AromaticContact CD1-CD1 3.44Å; F62-F98 HydrophobicContact CD1-CD1 3.44Å; F62-F98 VanDerWaalsContact CD1-CD1 3.44Å; F62-F98 HydrophobicContact CD1-CD2 4.42Å; F62-F98 HydrophobicContact CD1-CE1 4.13Å; F62-F98 AromaticContact CD1-CG 3.57Å; F62-F98 HydrophobicContact CD1-CG 3.57Å; F62-F98 HydrophobicContact CE1-CB 3.69Å; F62-F98 HydrophobicContact CE1-CD1 4.31Å; F62-F98 HydrophobicContact CE1-CG 4.23Å; F62-F98 HydrophobicContact CG-CB 4.19Å; F62-F98 HydrophobicContact CG-CD1 4.03Å; F62-F98 HydrophobicContact CG-CD2 4.39Å; F62-F98 HydrophobicContact CG-CE1 4.42Å; F62-F98 AromaticContact CG-CG 3.96Å; F62-F98 HydrophobicContact CG-CG 3.96Å; F62-F98 HydrophobicContact CZ-CB 4.44Å; R85-F98 CarbonylContact C-O 3.41Å; R85-F98 VanDerWaalsContact CA-O 3.3Å; R85-F98 WeakPolarHBondContact CA-O 3.35Å; V86-F98 PolarHBondContact N-O 3.4Å; V86-F98 PolarHBondContact O-N 2.99Å; I88-F98 HydrophobicContact CB-CE2 4.36Å; I88-F98 HydrophobicContact CD1-CD2 3.61Å; I88-F98 HydrophobicContact CD1-CE2 3.44Å; I88-F98 VanDerWaalsContact CD1-CE2 3.44Å; I88-F98 HydrophobicContact CD1-CZ 4.33Å; I88-F98 HydrophobicContact CG1-CD2 3.87Å; I88-F98 HydrophobicContact CG1-CE2 3.95Å; N96-F98 HydrophobicContact CB-CD2 4.17Å; N96-F98 HydrophobicContact CB-CE2 3.55Å; N96-F98 HydrophobicContact CB-CZ 4.26Å; F98-G103 WeakPolarHBondContact CD1-O 3.39Å; F98-D104 WeakPolarHBondContact CA-O 3.48Å; F98-I105 HydrophobicContact CD1-CB 4.27Å; F98-I105 HydrophobicContact CD1-CG1 3.66Å; F98-I105 HydrophobicContact CE1-CB 4.2Å; F98-I105 HydrophobicContact CE1-CD1 4.12Å; F98-I105 HydrophobicContact CE1-CG1 3.14Å; F98-I105 HydrophobicContact CE2-CG1 4.39Å; F98-I105 HydrophobicContact CZ-CD1 4.26Å; F98-I105 HydrophobicContact CZ-CG1 3.57Å |
| 99 | N | 85.3 | Confident | 82.7 | Confident | 30 Ų | 30 | 26.2 Ų | 26.2 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.8 | 165.1 | -171.9 | -28.4 | 0 | 0 | 0 | 108.9 | N101 G103 D104 | N99-N101 VanDerWaalsContact C-N 3.26Å; N99-N101 PolarHBondContact O-N 3.36Å; N99-N101 PolarHBondContact OD1-N 3.43Å; N99-G103 WeakPolarHBondContact O-CA 3.47Å; N99-G103 PolarHBondContact O-N 3.36Å; N99-D104 PolarHBondContact N-O 3.37Å |
| 100 | M | 80.5 | Confident | 82.1 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -28.3 | -177.8 | -74.9 | -74.1 | -60 | 0 | 0 | 114 | V29 I50 F62 P84 V86 | V29-M100 HydrophobicContact CG1-CE 3.74Å; I50-M100 HydrophobicContact CD1-CE 3.15Å; I50-M100 HydrophobicContact CD1-SD 3.54Å; I50-M100 VanDerWaalsContact CD1-SD 3.54Å; I50-M100 HydrophobicContact CG1-CE 4.05Å; I50-M100 HydrophobicContact CG1-SD 4.5Å; F62-M100 HydrophobicContact CE2-SD 4Å; F62-M100 HydrophobicContact CZ-SD 3.67Å; P84-M100 HydrophobicContact CB-CB 3.89Å; P84-M100 HydrophobicContact CB-CG 3.93Å; P84-M100 HydrophobicContact CG-CB 3.88Å; P84-M100 HydrophobicContact CG-CG 4.48Å; P84-M100 WeakPolarHBondContact O-CB 3.45Å; P84-M100 VanDerWaalsContact O-CG 3.25Å; P84-M100 WeakPolarHBondContact O-CG 3.49Å; P84-M100 PolarHBondContact O-N 2.85Å; V86-M100 HydrophobicContact CB-SD 3.98Å; V86-M100 HydrophobicContact CG2-CG 3.89Å; V86-M100 HydrophobicContact CG2-SD 3.14Å; V86-M100 WeakPolarHBondContact CG2-SD 3.49Å |
| 101 | N | 80.7 | Confident | 81.4 | Confident | 75 Ų | 75 | 30.9 Ų | 30.9 | 40% | 0.401 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -38 | -174.9 | -67.8 | -29.2 | 0 | 0 | 0 | 112.2 | N31 N99 | N31-N101 PolarHBondContact ND2-OD1 3.25Å; N99-N101 VanDerWaalsContact C-N 3.26Å; N99-N101 PolarHBondContact O-N 3.36Å; N99-N101 PolarHBondContact OD1-N 3.43Å |
| 102 | T | 80.1 | Confident | 80.6 | Confident | 77 Ų | 77 | 30.1 Ų | 30.1 | 47% | 0.472 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -27.8 | -177.9 | 67 | 0 | 0 | 0 | 0 | 112.5 | D104 | T102-D104 WeakPolarHBondContact CB-OD2 3.48Å; T102-D104 WeakPolarHBondContact OG1-CB 3.45Å; T102-D104 PolarHBondContact OG1-N 3.46Å; T102-D104 PolarHBondContact OG1-OD2 3.02Å |
| 103 | G | 78.3 | Confident | 80.1 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 24% | 0.237 | 18% | 0.183 | C | C | . | . | trans | 83.7 | -5.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F98 N99 | F98-G103 WeakPolarHBondContact CD1-O 3.39Å; N99-G103 WeakPolarHBondContact O-CA 3.47Å; N99-G103 PolarHBondContact O-N 3.36Å | ||
| 104 | D | 82.2 | Confident | 80.2 | Confident | 104 Ų | 104 | 36.5 Ų | 36.5 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | trans | -78.8 | 149.1 | -177.3 | -54.6 | -44.2 | 0 | 0 | 0 | 110.7 | F98 N99 T102 E106 | F98-D104 WeakPolarHBondContact CA-O 3.48Å; N99-D104 PolarHBondContact N-O 3.37Å; T102-D104 WeakPolarHBondContact CB-OD2 3.48Å; T102-D104 WeakPolarHBondContact OG1-CB 3.45Å; T102-D104 PolarHBondContact OG1-N 3.46Å; T102-D104 PolarHBondContact OG1-OD2 3.02Å; D104-E106 PolarHBondContact O-N 2.94Å | ||
| 105 | I | 79.7 | Confident | 80.4 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.9 | 171.1 | -49.8 | 160.4 | 0 | 0 | 0 | 107.4 | N96 I97 F98 N108 Y875 | N96-I105 HydrophobicContact CB-CG2 4.21Å; I97-I105 CarbonylContact O-C 3.56Å; F98-I105 HydrophobicContact CD1-CB 4.27Å; F98-I105 HydrophobicContact CD1-CG1 3.66Å; F98-I105 HydrophobicContact CE1-CB 4.2Å; F98-I105 HydrophobicContact CE1-CD1 4.12Å; F98-I105 HydrophobicContact CE1-CG1 3.14Å; F98-I105 HydrophobicContact CE2-CG1 4.39Å; F98-I105 HydrophobicContact CZ-CD1 4.26Å; F98-I105 HydrophobicContact CZ-CG1 3.57Å; I105-N108 WeakPolarHBondContact CG2-OD1 3.32Å; I105-Y875 WeakPolarHBondContact CA-OH 3.32Å; I105-Y875 HydrophobicContact CB-CE1 4.03Å; I105-Y875 WeakPolarHBondContact CB-OH 3.5Å; I105-Y875 HydrophobicContact CD1-CE1 4.21Å; I105-Y875 HydrophobicContact CG2-CE1 4.3Å; I105-Y875 WeakPolarHBondContact CG2-OH 3.09Å; I105-Y875 VanDerWaalsContact O-CE2 3.3Å; I105-Y875 WeakPolarHBondContact O-CE2 3.38Å; I105-Y875 PolarHBondContact O-OH 2.79Å |
| 106 | E | 79.1 | Confident | 80.5 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -43 | 177.7 | -174.1 | 176.3 | 178.2 | 0 | 0 | 111.7 | R85 I97 D104 | R85-E106 WeakPolarHBondContact CD-OE2 3.37Å; R85-E106 IonicContact CZ-OE1 3.52Å; R85-E106 VanDerWaalsContact CZ-OE1 3.24Å; R85-E106 IonicContact CZ-OE2 3.7Å; R85-E106 VanDerWaalsContact NE-CD 3.3Å; R85-E106 IonicContact NE-OE1 3.92Å; R85-E106 PolarHBondContact NE-OE1 3.03Å; R85-E106 IonicContact NE-OE2 3.23Å; R85-E106 PolarHBondContact NE-OE2 2.9Å; R85-E106 IonicContact NH2-OE1 3.91Å; R85-E106 PolarHBondContact NH2-OE1 2.92Å; R85-E106 IonicContact NH2-OE2 2.77Å; I97-E106 PolarHBondContact O-N 3.44Å; D104-E106 PolarHBondContact O-N 2.94Å |
| 107 | A | 76.2 | Confident | 80.7 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I97 F109 I139 | I97-A107 HydrophobicContact CB-CB 4.37Å; I97-A107 HydrophobicContact CD1-CB 4.41Å; I97-A107 PolarHBondContact N-O 3.1Å; I97-A107 PolarHBondContact O-N 3.03Å; A107-F109 HydrophobicContact CB-CD2 4.41Å; A107-F109 HydrophobicContact CB-CE2 3.67Å; A107-F109 HydrophobicContact CB-CZ 4.06Å; A107-I139 HydrophobicContact CB-CG2 4.37Å |
| 108 | N | 78.7 | Confident | 80.7 | Confident | 30 Ų | 30 | 43 Ų | 43 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.9 | 175.1 | -67.4 | -34.9 | 0 | 0 | 0 | 109.7 | N96 I105 G881 | N96-N108 PolarHBondContact ND2-OD1 3.38Å; N96-N108 PolarHBondContact OD1-OD1 3.48Å; I105-N108 WeakPolarHBondContact CG2-OD1 3.32Å; N108-G881 WeakPolarHBondContact O-CA 3.37Å |
| 109 | F | 76.8 | Confident | 80.9 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.1 | 178.7 | -65.1 | -70 | 0 | 0 | 0 | 110.4 | L94 V95 I97 A107 L126 F137 I139 | L94-F109 WeakPolarHBondContact CA-O 3.35Å; V95-F109 HydrophobicContact CB-CB 4.33Å; V95-F109 PolarHBondContact N-O 2.93Å; V95-F109 PolarHBondContact O-N 3.2Å; I97-F109 HydrophobicContact CD1-CD2 4.04Å; I97-F109 HydrophobicContact CD1-CE2 3.64Å; I97-F109 HydrophobicContact CG1-CD2 4.38Å; I97-F109 HydrophobicContact CG1-CE2 4.35Å; A107-F109 HydrophobicContact CB-CD2 4.41Å; A107-F109 HydrophobicContact CB-CE2 3.67Å; A107-F109 HydrophobicContact CB-CZ 4.06Å; F109-L126 HydrophobicContact CD2-CD2 3.9Å; F109-L126 HydrophobicContact CE2-CD2 4.38Å; F109-F137 HydrophobicContact CB-CD1 3.99Å; F109-F137 HydrophobicContact CB-CD2 4.38Å; F109-F137 HydrophobicContact CB-CE1 3.69Å; F109-F137 HydrophobicContact CB-CE2 4.14Å; F109-F137 HydrophobicContact CB-CG 4.3Å; F109-F137 HydrophobicContact CB-CZ 3.78Å; F109-F137 HydrophobicContact CD1-CB 4.3Å; F109-F137 AromaticContact CD1-CD1 3.29Å; F109-F137 HydrophobicContact CD1-CD1 3.29Å; F109-F137 AromaticContact CD1-CE1 3.64Å; F109-F137 HydrophobicContact CD1-CE1 3.64Å; F109-F137 AromaticContact CD1-CG 3.93Å; F109-F137 HydrophobicContact CD1-CG 3.93Å; F109-F137 HydrophobicContact CD2-CB 4.45Å; F109-F137 HydrophobicContact CD2-CG 4.38Å; F109-F137 HydrophobicContact CE1-CB 4.26Å; F109-F137 AromaticContact CE1-CD1 3.86Å; F109-F137 HydrophobicContact CE1-CD1 3.86Å; F109-F137 HydrophobicContact CE1-CG 4.36Å; F109-F137 HydrophobicContact CE2-CB 4.42Å; F109-F137 HydrophobicContact CG-CB 4.39Å; F109-F137 AromaticContact CG-CD1 3.68Å; F109-F137 HydrophobicContact CG-CD1 3.68Å; F109-F137 HydrophobicContact CG-CD2 4.42Å; F109-F137 AromaticContact CG-CE1 3.9Å; F109-F137 HydrophobicContact CG-CE1 3.9Å; F109-F137 AromaticContact CG-CG 3.94Å; F109-F137 HydrophobicContact CG-CG 3.94Å; F109-F137 HydrophobicContact CG-CZ 4.38Å; F109-F137 HydrophobicContact CZ-CB 4.33Å; F109-I139 HydrophobicContact CE2-CG1 4.43Å |
| 110 | R | 76.4 | Confident | 81.2 | Confident | 96 Ų | 96 | 42.4 Ų | 42.4 | 36% | 0.362 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 108.9 | 172.5 | -167.9 | 170.8 | -171.5 | 160.5 | 3.8 | 108.8 | L94 L812 | L94-R110 HydrophobicContact CD2-CB 3.8Å; L94-R110 HydrophobicContact CD2-CG 3.91Å; L94-R110 HydrophobicContact CG-CG 4.44Å; R110-L812 VanDerWaalsContact O-CD2 3.27Å; R110-L812 WeakPolarHBondContact O-CD2 3.37Å |
| 111 | A | 74.2 | Confident | 81.5 | Confident | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | trans | -77 | -35.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G93 C128 A130 N135 F137 | G93-A111 PolarHBondContact O-N 3.02Å; A111-C128 HydrophobicContact CB-CB 4.34Å; A111-A130 HydrophobicContact CB-CB 4.07Å; A111-N135 WeakPolarHBondContact CA-ND2 3.12Å; A111-N135 HydrophobicContact CB-CB 4.43Å; A111-N135 WeakPolarHBondContact CB-ND2 3.39Å; A111-N135 PolarHBondContact O-ND2 2.93Å; A111-F137 HydrophobicContact CB-CE2 4.35Å; A111-F137 HydrophobicContact CB-CZ 4.35Å | ||
| 112 | G | 71.3 | Confident | 81.5 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | trans | -176.8 | -162.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 113 | R | 69.7 | Low | 81.4 | Confident | 132 Ų | 132 | 40 Ų | 40 | 50% | 0.498 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -93.8 | -12.1 | 168.1 | -63.8 | -173.5 | -173.2 | 168 | 7.6 | 112.5 | V792 | R113-V792 PolarHBondContact NH2-O 2.8Š|
| 114 | S | 82.3 | Confident | 81.5 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -98 | 163.9 | -176.4 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | G93 V116 D131 | G93-S114 WeakPolarHBondContact CA-O 3.31Å; G93-S114 PolarHBondContact N-O 3.22Å; S114-V116 PolarHBondContact O-N 3.38Å; S114-D131 WeakPolarHBondContact CB-OD2 3.25Å; S114-D131 VanDerWaalsContact OG-CG 3.29Å; S114-D131 PolarHBondContact OG-OD2 2.97Å; S114-D131 VanDerWaalsContact OG-OD2 3.05Å |
| 115 | R | 87.2 | Confident | 81.7 | Confident | 119 Ų | 119 | 39.1 Ų | 39.1 | 45% | 0.449 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -59 | 132.6 | 179.9 | 170.1 | 171.7 | 178.2 | 176.8 | 3.2 | 110.9 | S72 S91 T117 | S72-R115 VanDerWaalsContact CB-NE 3.28Å; S91-R115 WeakPolarHBondContact O-CA 3.36Å; S91-R115 PolarHBondContact O-N 2.97Å; R115-T117 WeakPolarHBondContact O-CG2 3.4Å; R115-T117 PolarHBondContact O-N 3.09Å |
| 116 | V | 90.1 | Very high | 82 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 117.1 | 172 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | S72 C73 Y90 V95 S114 M119 C128 A129 | S72-V116 WeakPolarHBondContact CB-O 2.92Å; S72-V116 PolarHBondContact OG-O 3.14Å; C73-V116 WeakPolarHBondContact SG-CG1 3.46Å; Y90-V116 PolarHBondContact O-N 3.06Å; V95-V116 HydrophobicContact CG2-CG1 4.22Å; V95-V116 HydrophobicContact CG2-CG2 3.75Å; S114-V116 PolarHBondContact O-N 3.38Å; V116-M119 HydrophobicContact CG1-CG 3.55Å; V116-M119 HydrophobicContact CG1-SD 3.75Å; V116-C128 HydrophobicContact CG1-CB 4.21Å; V116-A129 CarbonylContact C-O 3.47Å; V116-A129 VanDerWaalsContact CA-O 3.3Å; V116-A129 WeakPolarHBondContact CA-O 3.37Å; V116-A129 WeakPolarHBondContact CG1-O 3.37Å |
| 117 | T | 89.7 | Confident | 82.4 | Confident | 37 Ų | 37 | 34.8 Ų | 34.8 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -39.6 | -170.5 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | R115 A129 I153 I154 | R115-T117 WeakPolarHBondContact O-CG2 3.4Å; R115-T117 PolarHBondContact O-N 3.09Å; T117-A129 PolarHBondContact N-O 3.19Å; T117-A129 WeakPolarHBondContact OG1-CB 3.42Å; T117-I153 HydrophobicContact CG2-CG2 3.61Å; T117-I154 WeakPolarHBondContact CB-O 3.31Å; T117-I154 PolarHBondContact OG1-O 2.88Å |
| 118 | S | 89.5 | Confident | 83 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 8% | 0.077 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 152 | 178 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | A129 M157 | S118-A129 PolarHBondContact O-N 3.48Å; S118-M157 WeakPolarHBondContact OG-CG 3.47Å |
| 119 | M | 91.2 | Very high | 83.5 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.4 | 177.4 | -59 | -173.2 | -33.7 | 0 | 0 | 110.8 | C73 A87 V95 V116 V127 C128 | C73-M119 WeakPolarHBondContact SG-CG 3.43Å; A87-M119 HydrophobicContact CB-CE 3.6Å; A87-M119 WeakPolarHBondContact O-CE 3.47Å; V95-M119 HydrophobicContact CB-SD 4.37Å; V95-M119 HydrophobicContact CG1-CE 4.24Å; V95-M119 HydrophobicContact CG1-SD 3.57Å; V95-M119 VanDerWaalsContact CG1-SD 3.57Å; V95-M119 HydrophobicContact CG2-SD 3.84Å; V116-M119 HydrophobicContact CG1-CG 3.55Å; V116-M119 HydrophobicContact CG1-SD 3.75Å; M119-V127 CarbonylContact C-O 3.54Å; M119-V127 WeakPolarHBondContact CA-O 3.45Å; M119-C128 HydrophobicContact CG-CB 4.06Å; M119-C128 HydrophobicContact SD-CB 4.45Å; M119-C128 VanDerWaalsContact SD-SG 3.61Å |
| 120 | D | 90.7 | Very high | 83.9 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140 | 166.4 | -157.1 | 27.5 | 0 | 0 | 0 | 109.8 | K75 V127 L159 | K75-D120 WeakPolarHBondContact CE-OD1 3.42Å; K75-D120 IonicContact NZ-OD1 2.79Å; K75-D120 PolarHBondContact NZ-OD1 3.14Å; D120-V127 PolarHBondContact N-O 2.87Å; D120-V127 PolarHBondContact O-N 3.07Å; D120-L159 HydrophobicContact CB-CB 4.42Å; D120-L159 WeakPolarHBondContact OD2-CB 3.37Å; D120-L159 PolarHBondContact OD2-N 3.08Å |
| 121 | L | 87.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115.9 | -178.8 | 175 | 66.6 | 0 | 0 | 0 | 107.6 | K75 R85 A87 L126 I139 | K75-L121 HydrophobicContact CG-CB 4.04Å; R85-L121 HydrophobicContact CB-CD2 4.06Å; A87-L121 HydrophobicContact CB-CD2 4.24Å; L121-L126 HydrophobicContact CB-CD1 4.37Å; L121-L126 HydrophobicContact CD1-CB 4.1Å; L121-L126 HydrophobicContact CD1-CD1 4.38Å; L121-I139 HydrophobicContact CD1-CD1 3.56Å |
| 122 | K | 81.9 | Confident | 84.9 | Confident | 31 Ų | 31 | 32.8 Ų | 32.8 | 14% | 0.135 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124.7 | 171.3 | -65.3 | -171 | 169.6 | -174 | 0 | 110.1 | D124 L125 L159 T161 | K122-D124 PolarHBondContact O-N 2.8Å; K122-L125 PolarHBondContact N-O 3.44Å; K122-L125 VanDerWaalsContact N-O 3.09Å; K122-L125 PolarHBondContact O-N 2.99Å; K122-L125 VanDerWaalsContact O-N 3.07Å; K122-L159 HydrophobicContact CB-CD2 3.92Å; K122-L159 HydrophobicContact CD-CB 4.26Å; K122-L159 HydrophobicContact CD-CG 4.33Å; K122-L159 VanDerWaalsContact CD-O 3.24Å; K122-L159 WeakPolarHBondContact CD-O 3.46Å; K122-L159 WeakPolarHBondContact CE-O 3.31Å; K122-L159 HydrophobicContact CG-CD2 4.36Å; K122-L159 PolarHBondContact NZ-O 3.02Å; K122-T161 HydrophobicContact CB-CG2 3.37Å; K122-T161 HydrophobicContact CD-CG2 3.84Å; K122-T161 HydrophobicContact CG-CG2 4.25Å |
| 123 | N | 77.5 | Confident | 85.7 | Confident | 80 Ų | 80 | 33.5 Ų | 33.5 | 43% | 0.428 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -116.3 | -173.2 | -55.9 | -16 | 0 | 0 | 0 | 110.5 | ||
| 124 | D | 80.2 | Confident | 86.7 | Confident | 63 Ų | 63 | 27.2 Ų | 27.2 | 34% | 0.337 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 0.3 | -179 | -57 | -50.9 | 0 | 0 | 0 | 113.3 | R85 K122 I139 I140 | R85-D124 IonicContact CZ-OD1 3.9Å; R85-D124 IonicContact NH1-OD1 3.74Å; R85-D124 PolarHBondContact NH1-OD1 2.79Å; R85-D124 IonicContact NH2-OD1 2.99Å; K122-D124 PolarHBondContact O-N 2.8Å; D124-I139 VanDerWaalsContact O-CG1 3.24Å; D124-I139 WeakPolarHBondContact O-CG1 3.47Å; D124-I139 PolarHBondContact O-N 3.22Å; D124-I140 HydrophobicContact CB-CD1 3.95Å; D124-I140 HydrophobicContact CB-CG1 4.18Å; D124-I140 VanDerWaalsContact CG-CD1 3.43Å; D124-I140 WeakPolarHBondContact OD2-CD1 3.23Å |
| 125 | L | 85.7 | Confident | 87 | Confident | 46 Ų | 46 | 26 Ų | 26 | 24% | 0.241 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.5 | 179 | -160.8 | 74.5 | 0 | 0 | 0 | 110.2 | K122 V136 F137 D138 L159 L180 | K122-L125 PolarHBondContact N-O 3.44Å; K122-L125 VanDerWaalsContact N-O 3.09Å; K122-L125 PolarHBondContact O-N 2.99Å; K122-L125 VanDerWaalsContact O-N 3.07Å; L125-V136 HydrophobicContact CD1-CG1 3.65Å; L125-V136 HydrophobicContact CD2-CG1 4.08Å; L125-V136 HydrophobicContact CG-CG1 4Å; L125-F137 WeakPolarHBondContact CD1-O 3.34Å; L125-D138 HydrophobicContact CD1-CB 4.48Å; L125-L159 HydrophobicContact CB-CD2 4.04Å; L125-L159 HydrophobicContact CD2-CD1 3.98Å; L125-L159 HydrophobicContact CD2-CD2 3.76Å; L125-L159 HydrophobicContact CG-CD2 4.22Å; L125-L180 HydrophobicContact CD2-CD1 3.86Å |
| 126 | L | 86 | Confident | 87.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.4 | 174.2 | 169.1 | 70.3 | 0 | 0 | 0 | 108.5 | A87 V95 I97 F109 L121 C128 F137 I139 | A87-L126 HydrophobicContact CB-CD1 3.82Å; V95-L126 HydrophobicContact CG1-CD2 3.7Å; I97-L126 HydrophobicContact CD1-CB 4.48Å; I97-L126 HydrophobicContact CD1-CD2 3.74Å; I97-L126 HydrophobicContact CG1-CD2 4.16Å; F109-L126 HydrophobicContact CD2-CD2 3.9Å; F109-L126 HydrophobicContact CE2-CD2 4.38Å; L121-L126 HydrophobicContact CB-CD1 4.37Å; L121-L126 HydrophobicContact CD1-CB 4.1Å; L121-L126 HydrophobicContact CD1-CD1 4.38Å; L126-C128 VanDerWaalsContact CG-SG 3.55Å; L126-F137 HydrophobicContact CB-CB 4.14Å; L126-F137 HydrophobicContact CD2-CB 4.34Å; L126-F137 HydrophobicContact CD2-CD2 4.06Å; L126-F137 HydrophobicContact CG-CB 4.46Å; L126-F137 HydrophobicContact CG-CD2 4.28Å; L126-F137 PolarHBondContact N-O 3.41Å; L126-F137 PolarHBondContact O-N 3.13Å; L126-I139 HydrophobicContact CB-CD1 4.43Å; L126-I139 HydrophobicContact CB-CG1 4.35Å |
| 127 | V | 87.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.7 | 172.6 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | M119 D120 I134 N135 V136 M157 L159 L166 | M119-V127 CarbonylContact C-O 3.54Å; M119-V127 WeakPolarHBondContact CA-O 3.45Å; D120-V127 PolarHBondContact N-O 2.87Å; D120-V127 PolarHBondContact O-N 3.07Å; V127-I134 HydrophobicContact CG1-CG2 3.81Å; V127-N135 CarbonylContact C-O 3.56Å; V127-N135 WeakPolarHBondContact CA-O 3.23Å; V127-V136 HydrophobicContact CG1-CG2 4Å; V127-V136 HydrophobicContact CG2-CG1 4.32Å; V127-V136 HydrophobicContact CG2-CG2 4.1Å; V127-M157 HydrophobicContact CB-CE 4.4Å; V127-M157 HydrophobicContact CG1-CE 3.24Å; V127-M157 HydrophobicContact CG1-SD 4.25Å; V127-L159 HydrophobicContact CG2-CD1 4.44Å; V127-L159 HydrophobicContact CG2-CD2 4.28Å; V127-L166 HydrophobicContact CB-CD1 4.49Å; V127-L166 HydrophobicContact CG1-CD1 4.07Å; V127-L166 HydrophobicContact CG1-CD2 3.88Å; V127-L166 HydrophobicContact CG2-CD1 4.49Å |
| 128 | C | 89.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.7 | -177.2 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | V95 A111 V116 M119 L126 N135 F137 | V95-C128 HydrophobicContact CG2-CB 4.33Å; A111-C128 HydrophobicContact CB-CB 4.34Å; V116-C128 HydrophobicContact CG1-CB 4.21Å; M119-C128 HydrophobicContact CG-CB 4.06Å; M119-C128 HydrophobicContact SD-CB 4.45Å; M119-C128 VanDerWaalsContact SD-SG 3.61Å; L126-C128 VanDerWaalsContact CG-SG 3.55Å; C128-N135 PolarHBondContact N-O 2.8Å; C128-N135 WeakPolarHBondContact O-CB 3.46Å; C128-N135 PolarHBondContact O-N 2.92Å; C128-F137 HydrophobicContact CB-CE2 4.11Å |
| 129 | A | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V116 T117 S118 E133 I154 M157 | V116-A129 CarbonylContact C-O 3.47Å; V116-A129 VanDerWaalsContact CA-O 3.3Å; V116-A129 WeakPolarHBondContact CA-O 3.37Å; V116-A129 WeakPolarHBondContact CG1-O 3.37Å; T117-A129 PolarHBondContact N-O 3.19Å; T117-A129 WeakPolarHBondContact OG1-CB 3.42Å; S118-A129 PolarHBondContact O-N 3.48Å; A129-E133 CarbonylContact C-O 3.59Å; A129-E133 VanDerWaalsContact CA-O 3.27Å; A129-E133 WeakPolarHBondContact CA-O 3.22Å; A129-I154 HydrophobicContact CB-CB 3.67Å; A129-I154 HydrophobicContact CB-CD1 3.8Å; A129-I154 HydrophobicContact CB-CG1 4.32Å; A129-I154 HydrophobicContact CB-CG2 3.75Å; A129-M157 HydrophobicContact CB-SD 3.51Å; A129-M157 VanDerWaalsContact CB-SD 3.51Å |
| 130 | A | 84.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 106.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | A111 S132 E133 | A111-A130 HydrophobicContact CB-CB 4.07Å; A130-S132 PolarHBondContact O-N 2.7Å; A130-E133 PolarHBondContact N-O 2.78Å; A130-E133 PolarHBondContact O-N 3.46Å |
| 131 | D | 85.9 | Confident | 84.4 | Confident | 65 Ų | 65 | 27.2 Ų | 27.2 | 35% | 0.348 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -102.1 | -167.3 | -62.8 | -24.8 | 0 | 0 | 0 | 113.7 | S114 I153 I154 | S114-D131 WeakPolarHBondContact CB-OD2 3.25Å; S114-D131 VanDerWaalsContact OG-CG 3.29Å; S114-D131 PolarHBondContact OG-OD2 2.97Å; S114-D131 VanDerWaalsContact OG-OD2 3.05Å; D131-I153 CarbonylContact O-C 3.56Å; D131-I153 WeakPolarHBondContact O-CA 3.35Å; D131-I154 PolarHBondContact O-N 3.08Å |
| 132 | S | 86.8 | Confident | 83.6 | Confident | 38 Ų | 38 | 27.5 Ų | 27.5 | 27% | 0.266 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -5 | -177.4 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | A130 H150 G152 | A130-S132 PolarHBondContact O-N 2.7Å; S132-H150 WeakPolarHBondContact CB-O 3.35Å; S132-G152 WeakPolarHBondContact CA-O 3.3Å |
| 133 | E | 87.8 | Confident | 83.1 | Confident | 34 Ų | 34 | 27.9 Ų | 27.9 | 16% | 0.159 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.9 | -170.1 | -50.7 | -176.1 | 165.4 | 0 | 0 | 110.4 | A129 A130 R146 K148 | A129-E133 CarbonylContact C-O 3.59Å; A129-E133 VanDerWaalsContact CA-O 3.27Å; A129-E133 WeakPolarHBondContact CA-O 3.22Å; A130-E133 PolarHBondContact N-O 2.78Å; A130-E133 PolarHBondContact O-N 3.46Å; E133-R146 VanDerWaalsContact CD-NE 3.3Å; E133-R146 IonicContact OE1-CZ 3.35Å; E133-R146 IonicContact OE1-NE 2.92Å; E133-R146 IonicContact OE1-NH2 2.65Å; E133-R146 PolarHBondContact OE1-NH2 3.35Å; E133-R146 IonicContact OE2-CZ 3.58Å; E133-R146 IonicContact OE2-NE 3.85Å; E133-R146 PolarHBondContact OE2-NE 3.44Å; E133-R146 IonicContact OE2-NH2 3.92Å; E133-R146 PolarHBondContact OE2-NH2 3.36Å; E133-K148 HydrophobicContact CG-CG 4.27Å; E133-K148 WeakPolarHBondContact OE1-CE 3.5Å; E133-K148 IonicContact OE1-NZ 2.78Å |
| 134 | I | 90.5 | Very high | 83 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.4 | 175.6 | -67 | 171.8 | 0 | 0 | 0 | 108.3 | V127 V136 R146 M147 I154 M157 L166 W178 | V127-I134 HydrophobicContact CG1-CG2 3.81Å; I134-V136 HydrophobicContact CG2-CG2 4.22Å; I134-R146 CarbonylContact O-C 3.59Å; I134-R146 WeakPolarHBondContact O-CA 3.17Å; I134-M147 HydrophobicContact CB-CB 4.22Å; I134-M147 HydrophobicContact CB-CE 4.18Å; I134-M147 HydrophobicContact CG2-CE 3.41Å; I134-M147 VanDerWaalsContact CG2-CE 3.41Å; I134-M147 PolarHBondContact N-O 2.98Å; I134-M147 PolarHBondContact O-N 3.04Å; I134-I154 HydrophobicContact CD1-CD1 3.95Å; I134-I154 HydrophobicContact CG1-CD1 3.32Å; I134-M157 HydrophobicContact CB-CE 4.17Å; I134-M157 HydrophobicContact CD1-CE 3.85Å; I134-M157 HydrophobicContact CG1-CE 3.68Å; I134-M157 HydrophobicContact CG1-SD 4.34Å; I134-M157 HydrophobicContact CG2-CE 3.55Å; I134-L166 HydrophobicContact CD1-CD2 4.25Å; I134-L166 HydrophobicContact CG2-CD2 3.73Å; I134-W178 HydrophobicContact CD1-CD2 4.39Å; I134-W178 HydrophobicContact CD1-CZ2 3.92Å |
| 135 | N | 87.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.3 | 176.7 | -71.2 | -51.9 | 0 | 0 | 0 | 109.5 | A111 V127 C128 F137 T145 L812 | A111-N135 WeakPolarHBondContact CA-ND2 3.12Å; A111-N135 HydrophobicContact CB-CB 4.43Å; A111-N135 WeakPolarHBondContact CB-ND2 3.39Å; A111-N135 PolarHBondContact O-ND2 2.93Å; V127-N135 CarbonylContact C-O 3.56Å; V127-N135 WeakPolarHBondContact CA-O 3.23Å; C128-N135 PolarHBondContact N-O 2.8Å; C128-N135 WeakPolarHBondContact O-CB 3.46Å; C128-N135 PolarHBondContact O-N 2.92Å; N135-F137 HydrophobicContact CB-CD2 4.34Å; N135-F137 HydrophobicContact CB-CE2 3.62Å; N135-F137 HydrophobicContact CB-CZ 3.93Å; N135-T145 WeakPolarHBondContact CA-O 3.23Å; N135-L812 HydrophobicContact CB-CD1 3.61Å; N135-L812 VanDerWaalsContact OD1-CD1 3.27Å; N135-L812 WeakPolarHBondContact OD1-CD1 3.17Å |
| 136 | V | 88.9 | Confident | 82.8 | Confident | 12 Ų | 12 | 21.9 Ų | 21.9 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 115.6 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | L125 V127 I134 G144 T145 M147 L180 | L125-V136 HydrophobicContact CD1-CG1 3.65Å; L125-V136 HydrophobicContact CD2-CG1 4.08Å; L125-V136 HydrophobicContact CG-CG1 4Å; V127-V136 HydrophobicContact CG1-CG2 4Å; V127-V136 HydrophobicContact CG2-CG1 4.32Å; V127-V136 HydrophobicContact CG2-CG2 4.1Å; I134-V136 HydrophobicContact CG2-CG2 4.22Å; V136-G144 CarbonylContact O-C 3.47Å; V136-G144 VanDerWaalsContact O-CA 3.26Å; V136-G144 WeakPolarHBondContact O-CA 3.18Å; V136-T145 PolarHBondContact N-O 2.8Å; V136-T145 PolarHBondContact O-N 2.77Å; V136-M147 HydrophobicContact CG2-CE 3.73Å; V136-L180 HydrophobicContact CG1-CD2 4.29Å; V136-L180 HydrophobicContact CG2-CD2 3.8Å |
| 137 | F | 85.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.9 | -179.6 | -61.4 | -78.1 | 0 | 0 | 0 | 110.8 | F109 A111 L125 L126 C128 N135 S143 L812 | F109-F137 HydrophobicContact CB-CD1 3.99Å; F109-F137 HydrophobicContact CB-CD2 4.38Å; F109-F137 HydrophobicContact CB-CE1 3.69Å; F109-F137 HydrophobicContact CB-CE2 4.14Å; F109-F137 HydrophobicContact CB-CG 4.3Å; F109-F137 HydrophobicContact CB-CZ 3.78Å; F109-F137 HydrophobicContact CD1-CB 4.3Å; F109-F137 AromaticContact CD1-CD1 3.29Å; F109-F137 HydrophobicContact CD1-CD1 3.29Å; F109-F137 AromaticContact CD1-CE1 3.64Å; F109-F137 HydrophobicContact CD1-CE1 3.64Å; F109-F137 AromaticContact CD1-CG 3.93Å; F109-F137 HydrophobicContact CD1-CG 3.93Å; F109-F137 HydrophobicContact CD2-CB 4.45Å; F109-F137 HydrophobicContact CD2-CG 4.38Å; F109-F137 HydrophobicContact CE1-CB 4.26Å; F109-F137 AromaticContact CE1-CD1 3.86Å; F109-F137 HydrophobicContact CE1-CD1 3.86Å; F109-F137 HydrophobicContact CE1-CG 4.36Å; F109-F137 HydrophobicContact CE2-CB 4.42Å; F109-F137 HydrophobicContact CG-CB 4.39Å; F109-F137 AromaticContact CG-CD1 3.68Å; F109-F137 HydrophobicContact CG-CD1 3.68Å; F109-F137 HydrophobicContact CG-CD2 4.42Å; F109-F137 AromaticContact CG-CE1 3.9Å; F109-F137 HydrophobicContact CG-CE1 3.9Å; F109-F137 AromaticContact CG-CG 3.94Å; F109-F137 HydrophobicContact CG-CG 3.94Å; F109-F137 HydrophobicContact CG-CZ 4.38Å; F109-F137 HydrophobicContact CZ-CB 4.33Å; A111-F137 HydrophobicContact CB-CE2 4.35Å; A111-F137 HydrophobicContact CB-CZ 4.35Å; L125-F137 WeakPolarHBondContact CD1-O 3.34Å; L126-F137 HydrophobicContact CB-CB 4.14Å; L126-F137 HydrophobicContact CD2-CB 4.34Å; L126-F137 HydrophobicContact CD2-CD2 4.06Å; L126-F137 HydrophobicContact CG-CB 4.46Å; L126-F137 HydrophobicContact CG-CD2 4.28Å; L126-F137 PolarHBondContact N-O 3.41Å; L126-F137 PolarHBondContact O-N 3.13Å; C128-F137 HydrophobicContact CB-CE2 4.11Å; N135-F137 HydrophobicContact CB-CD2 4.34Å; N135-F137 HydrophobicContact CB-CE2 3.62Å; N135-F137 HydrophobicContact CB-CZ 3.93Å; F137-S143 WeakPolarHBondContact CA-O 3.4Å; F137-L812 HydrophobicContact CD1-CD1 3.93Å; F137-L812 HydrophobicContact CD1-CD2 4.46Å; F137-L812 HydrophobicContact CE1-CD1 3.26Å; F137-L812 HydrophobicContact CE1-CD2 3.36Å; F137-L812 HydrophobicContact CE1-CG 3.95Å; F137-L812 HydrophobicContact CE2-CD1 4.23Å; F137-L812 HydrophobicContact CZ-CD1 3.44Å; F137-L812 VanDerWaalsContact CZ-CD1 3.44Å; F137-L812 HydrophobicContact CZ-CD2 3.75Å; F137-L812 HydrophobicContact CZ-CG 4.22Å |
| 138 | D | 81.8 | Confident | 82.6 | Confident | 49 Ų | 49 | 24 Ų | 24 | 26% | 0.262 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.6 | 163.9 | 170.8 | 15.4 | 0 | 0 | 0 | 108.9 | L125 I140 S141 G142 S143 | L125-D138 HydrophobicContact CD1-CB 4.48Å; D138-I140 VanDerWaalsContact C-N 3.33Å; D138-I140 PolarHBondContact O-N 3.03Å; D138-I140 PolarHBondContact OD1-N 3.42Å; D138-I140 VanDerWaalsContact OD1-N 3.17Å; D138-S141 VanDerWaalsContact CB-OG 3.29Å; D138-S141 WeakPolarHBondContact CB-OG 3.39Å; D138-S141 WeakPolarHBondContact OD2-CB 3.4Å; D138-S141 PolarHBondContact OD2-OG 3.27Å; D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.5Å; D138-G142 PolarHBondContact O-N 3.49Å; D138-S143 PolarHBondContact N-O 2.78Å; D138-S143 PolarHBondContact O-N 3.15Å |
| 139 | I | 79.8 | Confident | 82.3 | Confident | 14 Ų | 14 | 25 Ų | 25 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -39.1 | -172.5 | -60.2 | 171.9 | 0 | 0 | 0 | 111 | I97 A107 F109 L121 D124 L126 | I97-I139 HydrophobicContact CD1-CB 4.41Å; I97-I139 HydrophobicContact CD1-CD1 3.41Å; I97-I139 VanDerWaalsContact CD1-CD1 3.41Å; I97-I139 HydrophobicContact CD1-CG1 3.42Å; I97-I139 VanDerWaalsContact CD1-CG1 3.42Å; I97-I139 HydrophobicContact CD1-CG2 4.17Å; A107-I139 HydrophobicContact CB-CG2 4.37Å; F109-I139 HydrophobicContact CE2-CG1 4.43Å; L121-I139 HydrophobicContact CD1-CD1 3.56Å; D124-I139 VanDerWaalsContact O-CG1 3.24Å; D124-I139 WeakPolarHBondContact O-CG1 3.47Å; D124-I139 PolarHBondContact O-N 3.22Å; L126-I139 HydrophobicContact CB-CD1 4.43Å; L126-I139 HydrophobicContact CB-CG1 4.35Å |
| 140 | I | 78.4 | Confident | 82.3 | Confident | 101 Ų | 101 | 25.4 Ų | 25.4 | 52% | 0.518 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -47.8 | -173.7 | -62.4 | 173.1 | 0 | 0 | 0 | 110.2 | D124 D138 G142 R872 | D124-I140 HydrophobicContact CB-CD1 3.95Å; D124-I140 HydrophobicContact CB-CG1 4.18Å; D124-I140 VanDerWaalsContact CG-CD1 3.43Å; D124-I140 WeakPolarHBondContact OD2-CD1 3.23Å; D138-I140 VanDerWaalsContact C-N 3.33Å; D138-I140 PolarHBondContact O-N 3.03Å; D138-I140 PolarHBondContact OD1-N 3.42Å; D138-I140 VanDerWaalsContact OD1-N 3.17Å; I140-G142 VanDerWaalsContact C-N 3.26Å; I140-G142 PolarHBondContact O-N 3.28Å; I140-R872 PolarHBondContact O-NH2 2.81Å |
| 141 | S | 69.5 | Low | 82.4 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -17.5 | 179.2 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | D138 S143 R919 | D138-S141 VanDerWaalsContact CB-OG 3.29Å; D138-S141 WeakPolarHBondContact CB-OG 3.39Å; D138-S141 WeakPolarHBondContact OD2-CB 3.4Å; D138-S141 PolarHBondContact OD2-OG 3.27Å; S141-S143 PolarHBondContact O-N 2.83Å; S141-S143 WeakPolarHBondContact OG-CB 3.32Å; S141-S143 PolarHBondContact OG-N 3.01Å; S141-S143 PolarHBondContact OG-OG 2.78Å; S141-R919 PolarHBondContact O-NH1 2.64Å; S141-R919 VanDerWaalsContact O-NH1 3.16Å |
| 142 | G | 70.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | trans | 61.8 | 13.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D138 I140 G882 | D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.5Å; D138-G142 PolarHBondContact O-N 3.49Å; I140-G142 VanDerWaalsContact C-N 3.26Å; I140-G142 PolarHBondContact O-N 3.28Å; G142-G882 CarbonylContact O-C 3.33Å; G142-G882 VanDerWaalsContact O-C 3.3Å; G142-G882 VanDerWaalsContact O-O 3.1Å | ||
| 143 | S | 71.8 | Confident | 82.7 | Confident | 38 Ų | 38 | 32.5 Ų | 32.5 | 27% | 0.266 | 18% | 0.182 | S | C | . | . | trans | -81 | 149.4 | 178.5 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | F137 D138 S141 R919 | F137-S143 WeakPolarHBondContact CA-O 3.4Å; D138-S143 PolarHBondContact N-O 2.78Å; D138-S143 PolarHBondContact O-N 3.15Å; S141-S143 PolarHBondContact O-N 2.83Å; S141-S143 WeakPolarHBondContact OG-CB 3.32Å; S141-S143 PolarHBondContact OG-N 3.01Å; S141-S143 PolarHBondContact OG-OG 2.78Å; S143-R919 VanDerWaalsContact CB-NH1 3.26Å | ||
| 144 | G | 75.2 | Confident | 83 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 141.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V136 | V136-G144 CarbonylContact O-C 3.47Å; V136-G144 VanDerWaalsContact O-CA 3.26Å; V136-G144 WeakPolarHBondContact O-CA 3.18Å |
| 145 | T | 79.1 | Confident | 83 | Confident | 38 Ų | 38 | 32 Ų | 32 | 23% | 0.233 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.6 | 172.1 | 55.9 | 0 | 0 | 0 | 0 | 108.8 | N135 V136 | N135-T145 WeakPolarHBondContact CA-O 3.23Å; V136-T145 PolarHBondContact N-O 2.8Å; V136-T145 PolarHBondContact O-N 2.77Å |
| 146 | R | 82 | Confident | 83.2 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 6% | 0.06 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.2 | -179.6 | -179.3 | -179.7 | 177.8 | -159 | 11.6 | 109 | E133 I134 K148 V809 G810 | E133-R146 VanDerWaalsContact CD-NE 3.3Å; E133-R146 IonicContact OE1-CZ 3.35Å; E133-R146 IonicContact OE1-NE 2.92Å; E133-R146 IonicContact OE1-NH2 2.65Å; E133-R146 PolarHBondContact OE1-NH2 3.35Å; E133-R146 IonicContact OE2-CZ 3.58Å; E133-R146 IonicContact OE2-NE 3.85Å; E133-R146 PolarHBondContact OE2-NE 3.44Å; E133-R146 IonicContact OE2-NH2 3.92Å; E133-R146 PolarHBondContact OE2-NH2 3.36Å; I134-R146 CarbonylContact O-C 3.59Å; I134-R146 WeakPolarHBondContact O-CA 3.17Å; R146-K148 VanDerWaalsContact NH2-NZ 3.18Å; R146-V809 WeakPolarHBondContact O-CA 3.49Å; R146-G810 PolarHBondContact N-O 2.98Å; R146-G810 PolarHBondContact O-N 2.92Å; R146-G810 VanDerWaalsContact O-N 3.14Å |
| 147 | M | 85.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.1 | 174.5 | -61 | -175.5 | -60.9 | 0 | 0 | 109 | I134 V136 L166 W178 L180 Q183 E808 | I134-M147 HydrophobicContact CB-CB 4.22Å; I134-M147 HydrophobicContact CB-CE 4.18Å; I134-M147 HydrophobicContact CG2-CE 3.41Å; I134-M147 VanDerWaalsContact CG2-CE 3.41Å; I134-M147 PolarHBondContact N-O 2.98Å; I134-M147 PolarHBondContact O-N 3.04Å; V136-M147 HydrophobicContact CG2-CE 3.73Å; M147-L166 HydrophobicContact CE-CD2 3.62Å; M147-W178 HydrophobicContact CB-CE3 4.25Å; M147-W178 HydrophobicContact CB-CZ3 4.09Å; M147-W178 HydrophobicContact CE-CB 4.24Å; M147-W178 HydrophobicContact CE-CD2 4.37Å; M147-W178 HydrophobicContact CE-CE3 4.38Å; M147-W178 HydrophobicContact CE-CG 4.32Å; M147-W178 HydrophobicContact SD-CB 4.41Å; M147-W178 HydrophobicContact SD-CD2 4.47Å; M147-W178 HydrophobicContact SD-CE3 3.94Å; M147-L180 HydrophobicContact CE-CD2 4.33Å; M147-Q183 HydrophobicContact CG-CB 4.27Å; M147-Q183 HydrophobicContact SD-CB 4.14Å; M147-E808 CarbonylContact C-O 3.58Å; M147-E808 WeakPolarHBondContact CA-O 3.45Å |
| 148 | K | 84 | Confident | 83.6 | Confident | 45 Ų | 45 | 35.4 Ų | 35.4 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.4 | 174.3 | -73.3 | -176.1 | 170.3 | -178.5 | 0 | 109.7 | E133 R146 E808 | E133-K148 HydrophobicContact CG-CG 4.27Å; E133-K148 WeakPolarHBondContact OE1-CE 3.5Å; E133-K148 IonicContact OE1-NZ 2.78Å; R146-K148 VanDerWaalsContact NH2-NZ 3.18Å; K148-E808 PolarHBondContact N-O 2.86Å |
| 149 | G | 83.3 | Confident | 83.9 | Confident | 21 Ų | 21 | 33.1 Ų | 33.1 | 22% | 0.216 | 18% | 0.183 | C | C | . | . | trans | 173.2 | -14.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114 | K176 | G149-K176 PolarHBondContact O-NZ 3.39Š| ||
| 150 | H | 88.7 | Confident | 84.2 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | trans | -75.8 | 146.9 | 163.7 | -79 | -70.6 | 0 | 0 | 0 | 110.6 | S132 I154 S168 A170 D172 K176 W178 | S132-H150 WeakPolarHBondContact CB-O 3.35Å; H150-I154 HydrophobicContact CB-CG1 4.17Å; H150-S168 PolarHBondContact CD2-OG 2.94Å; H150-S168 PolarHBondContact NE2-OG 2.84Å; H150-A170 HydrophobicContact CB-CB 4.22Å; H150-A170 VanDerWaalsContact ND1-CB 3.34Å; H150-A170 WeakPolarHBondContact ND1-CB 3.4Å; H150-D172 IonicContact CG-OD2 2.72Å; H150-D172 IonicContact ND1-OD1 3.94Å; H150-D172 IonicContact ND1-OD2 3.77Å; H150-D172 PolarHBondContact ND1-OD2 3.32Å; H150-K176 VanDerWaalsContact CE1-CG 3.49Å; H150-K176 WeakPolarHBondContact CE1-CG 3.43Å; H150-W178 AromaticContact CD2-CZ2 3.99Å | ||
| 151 | H | 88.1 | Confident | 83.8 | Confident | 170 Ų | 170 | 30.1 Ų | 30.1 | 79% | 0.787 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -100.5 | -21.4 | 173 | -67.7 | -62.9 | 0 | 0 | 0 | 112.1 | D172 | H151-D172 PolarHBondContact N-OD2 2.76Š|
| 152 | G | 87.6 | Confident | 83.9 | Confident | 16 Ų | 16 | 37 Ų | 37 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -102.7 | 174.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S132 I154 | S132-G152 WeakPolarHBondContact CA-O 3.3Å; G152-I154 PolarHBondContact O-N 3.27Å |
| 153 | I | 91.5 | Very high | 84 | Confident | 66 Ų | 66 | 41 Ų | 41 | 34% | 0.338 | 21% | 0.211 | S | C | . | . | trans | -66.3 | 127.5 | 173.4 | -60.6 | 168.9 | 0 | 0 | 0 | 109.3 | T117 D131 T155 A170 Q171 | T117-I153 HydrophobicContact CG2-CG2 3.61Å; D131-I153 CarbonylContact O-C 3.56Å; D131-I153 WeakPolarHBondContact O-CA 3.35Å; I153-T155 PolarHBondContact O-N 2.96Å; I153-A170 CarbonylContact O-C 3.47Å; I153-A170 VanDerWaalsContact O-CA 3.29Å; I153-A170 WeakPolarHBondContact O-CA 3.47Å; I153-A170 WeakPolarHBondContact O-CB 3.39Å; I153-Q171 HydrophobicContact CB-CG 4.25Å; I153-Q171 PolarHBondContact O-N 3.21Å | ||
| 154 | I | 93.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 123.9 | 176.2 | -60.6 | 168.1 | 0 | 0 | 0 | 108.5 | T117 A129 D131 I134 H150 G152 M157 S169 A170 | T117-I154 WeakPolarHBondContact CB-O 3.31Å; T117-I154 PolarHBondContact OG1-O 2.88Å; A129-I154 HydrophobicContact CB-CB 3.67Å; A129-I154 HydrophobicContact CB-CD1 3.8Å; A129-I154 HydrophobicContact CB-CG1 4.32Å; A129-I154 HydrophobicContact CB-CG2 3.75Å; D131-I154 PolarHBondContact O-N 3.08Å; I134-I154 HydrophobicContact CD1-CD1 3.95Å; I134-I154 HydrophobicContact CG1-CD1 3.32Å; H150-I154 HydrophobicContact CB-CG1 4.17Å; G152-I154 PolarHBondContact O-N 3.27Å; I154-M157 HydrophobicContact CG2-CG 3.63Å; I154-M157 HydrophobicContact CG2-SD 4.03Å; I154-S169 CarbonylContact C-O 3.49Å; I154-S169 WeakPolarHBondContact CA-O 3.27Å; I154-S169 WeakPolarHBondContact CG2-O 3.35Å; I154-A170 HydrophobicContact CG1-CB 4.3Å |
| 155 | T | 91.3 | Very high | 85.2 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 14% | 0.141 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -39.2 | -174.6 | 52.2 | 0 | 0 | 0 | 0 | 112 | I153 S169 Q171 V196 W197 | I153-T155 PolarHBondContact O-N 2.96Å; T155-S169 PolarHBondContact N-O 3.34Å; T155-S169 PolarHBondContact OG1-O 3.41Å; T155-S169 VanDerWaalsContact OG1-O 3.12Å; T155-S169 PolarHBondContact OG1-OG 3.12Å; T155-Q171 HydrophobicContact CG2-CG 3.81Å; T155-V196 WeakPolarHBondContact CB-O 3.42Å; T155-V196 VanDerWaalsContact CG2-O 3.29Å; T155-V196 WeakPolarHBondContact CG2-O 3.37Å; T155-V196 PolarHBondContact OG1-O 3.43Å; T155-W197 WeakPolarHBondContact CB-O 3.38Å; T155-W197 HydrophobicContact CG2-CE3 4.15Å |
| 156 | Q | 91.5 | Very high | 85.8 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 13% | 0.131 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154.1 | 178.1 | -171.3 | 170.4 | 15.7 | 0 | 0 | 111.9 | S168 S169 D198 F199 | Q156-S168 WeakPolarHBondContact O-CA 3.38Å; Q156-S169 PolarHBondContact N-OG 3.3Å; Q156-S169 PolarHBondContact O-N 3.41Å; Q156-S169 PolarHBondContact O-OG 2.86Å; Q156-D198 VanDerWaalsContact OE1-CA 3.26Å; Q156-D198 PolarHBondContact OE1-OD1 3.06Å; Q156-D198 PolarHBondContact OE1-OD2 2.92Å; Q156-F199 HydrophobicContact CB-CD1 4.05Å; Q156-F199 HydrophobicContact CB-CE1 3.87Å; Q156-F199 HydrophobicContact CG-CD1 4.29Å; Q156-F199 HydrophobicContact CG-CE1 4Å; Q156-F199 HydrophobicContact CG-CZ 4.45Å; Q156-F199 PolarHBondContact NE2-O 2.65Å; Q156-F199 VanDerWaalsContact NE2-O 3.09Å; Q156-F199 WeakPolarHBondContact O-CE1 3.41Å; Q156-F199 PolarHBondContact OE1-O 2.83Å |
| 157 | M | 91.8 | Very high | 86.3 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.4 | 176.1 | -61.3 | -179.9 | 74.1 | 0 | 0 | 110.3 | S118 V127 A129 I134 I154 L166 I167 | S118-M157 WeakPolarHBondContact OG-CG 3.47Å; V127-M157 HydrophobicContact CB-CE 4.4Å; V127-M157 HydrophobicContact CG1-CE 3.24Å; V127-M157 HydrophobicContact CG1-SD 4.25Å; A129-M157 HydrophobicContact CB-SD 3.51Å; A129-M157 VanDerWaalsContact CB-SD 3.51Å; I134-M157 HydrophobicContact CB-CE 4.17Å; I134-M157 HydrophobicContact CD1-CE 3.85Å; I134-M157 HydrophobicContact CG1-CE 3.68Å; I134-M157 HydrophobicContact CG1-SD 4.34Å; I134-M157 HydrophobicContact CG2-CE 3.55Å; I154-M157 HydrophobicContact CG2-CG 3.63Å; I154-M157 HydrophobicContact CG2-SD 4.03Å; M157-L166 HydrophobicContact CB-CD1 4.39Å; M157-L166 HydrophobicContact CE-CD1 3.78Å; M157-L166 HydrophobicContact CE-CD2 3.59Å; M157-L166 HydrophobicContact CE-CG 4.1Å; M157-I167 CarbonylContact C-O 3.58Å; M157-I167 VanDerWaalsContact CA-O 3.31Å; M157-I167 WeakPolarHBondContact CA-O 3.29Å |
| 158 | K | 89.9 | Confident | 86.7 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 125.4 | 172.4 | -170.3 | 157.2 | 171.5 | 176.1 | 0 | 110.1 | I167 F199 L201 | K158-I167 PolarHBondContact N-O 3.31Å; K158-I167 PolarHBondContact O-N 3.23Å; K158-F199 HydrophobicContact CB-CE2 3.81Å; K158-F199 HydrophobicContact CB-CZ 3.98Å; K158-L201 HydrophobicContact CB-CD1 4.09Å; K158-L201 HydrophobicContact CD-CB 3.95Å; K158-L201 HydrophobicContact CD-CD1 3.57Å; K158-L201 HydrophobicContact CD-CG 4.01Å; K158-L201 HydrophobicContact CG-CD1 3.79Å; K158-L201 PolarHBondContact NZ-O 3.41Å |
| 159 | L | 89 | Confident | 87.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.5 | -179.3 | 175.1 | 62.8 | 0 | 0 | 0 | 110 | D120 K122 L125 V127 T161 L180 | D120-L159 HydrophobicContact CB-CB 4.42Å; D120-L159 WeakPolarHBondContact OD2-CB 3.37Å; D120-L159 PolarHBondContact OD2-N 3.08Å; K122-L159 HydrophobicContact CB-CD2 3.92Å; K122-L159 HydrophobicContact CD-CB 4.26Å; K122-L159 HydrophobicContact CD-CG 4.33Å; K122-L159 VanDerWaalsContact CD-O 3.24Å; K122-L159 WeakPolarHBondContact CD-O 3.46Å; K122-L159 WeakPolarHBondContact CE-O 3.31Å; K122-L159 HydrophobicContact CG-CD2 4.36Å; K122-L159 PolarHBondContact NZ-O 3.02Å; L125-L159 HydrophobicContact CB-CD2 4.04Å; L125-L159 HydrophobicContact CD2-CD1 3.98Å; L125-L159 HydrophobicContact CD2-CD2 3.76Å; L125-L159 HydrophobicContact CG-CD2 4.22Å; V127-L159 HydrophobicContact CG2-CD1 4.44Å; V127-L159 HydrophobicContact CG2-CD2 4.28Å; L159-T161 HydrophobicContact CD2-CG2 3.89Å; L159-T161 HydrophobicContact CG-CG2 4.06Å; L159-L180 HydrophobicContact CD1-CD1 3.29Å |
| 160 | L | 84.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 93.6 | 171.5 | -56.3 | -174.4 | 0 | 0 | 0 | 108.5 | E162 R163 K164 I165 I167 L201 D205 | L160-E162 PolarHBondContact O-N 3.36Å; L160-R163 PolarHBondContact O-N 3.43Å; L160-K164 WeakPolarHBondContact O-CA 3.27Å; L160-K164 PolarHBondContact O-N 2.97Å; L160-I165 HydrophobicContact CB-CB 4.47Å; L160-I165 WeakPolarHBondContact CB-O 3.27Å; L160-I165 PolarHBondContact N-O 2.9Å; L160-I165 PolarHBondContact O-N 2.8Å; L160-I167 HydrophobicContact CD1-CD1 4.17Å; L160-L201 HydrophobicContact CD2-CD1 3.89Å; L160-D205 HydrophobicContact CD1-CB 4.1Å; L160-D205 HydrophobicContact CD2-CB 4.28Å; L160-D205 VanDerWaalsContact CD2-OD1 3.27Å; L160-D205 WeakPolarHBondContact CD2-OD1 3.49Å; L160-D205 VanDerWaalsContact CD2-OD2 3.27Å; L160-D205 WeakPolarHBondContact CD2-OD2 3.44Å |
| 161 | T | 71.2 | Confident | 87.8 | Confident | 50 Ų | 50 | 41.7 Ų | 41.7 | 31% | 0.307 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -39.8 | -172.9 | 39.9 | 0 | 0 | 0 | 0 | 113.3 | K122 L159 R163 K164 | K122-T161 HydrophobicContact CB-CG2 3.37Å; K122-T161 HydrophobicContact CD-CG2 3.84Å; K122-T161 HydrophobicContact CG-CG2 4.25Å; L159-T161 HydrophobicContact CD2-CG2 3.89Å; L159-T161 HydrophobicContact CG-CG2 4.06Å; T161-R163 PolarHBondContact O-N 2.97Å; T161-K164 PolarHBondContact O-N 2.92Å |
| 162 | E | 72 | Confident | 87.9 | Confident | 178 Ų | 178 | 34.9 Ų | 34.9 | 83% | 0.832 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -36.7 | -179.1 | -64.2 | -174.6 | 173.7 | 0 | 0 | 112 | L160 | L160-E162 PolarHBondContact O-N 3.36Š|
| 163 | R | 73.1 | Confident | 88 | Confident | 93 Ų | 93 | 35.5 Ų | 35.5 | 35% | 0.351 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -8.8 | -175.6 | -59.1 | 178.5 | -171 | -105.7 | 8.5 | 113.7 | L160 T161 I165 Y224 | L160-R163 PolarHBondContact O-N 3.43Å; T161-R163 PolarHBondContact O-N 2.97Å; R163-I165 VanDerWaalsContact C-N 3.29Å; R163-I165 HydrophobicContact CB-CD1 3.99Å; R163-I165 HydrophobicContact CB-CG1 4.08Å; R163-I165 PolarHBondContact O-N 3.43Å; R163-Y224 VanDerWaalsContact CZ-CD1 3.45Å; R163-Y224 VanDerWaalsContact NH2-CD2 3.25Å |
| 164 | K | 83.9 | Confident | 88.1 | Confident | 111 Ų | 111 | 35.6 Ų | 35.6 | 48% | 0.483 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 37.1 | -172.9 | -60.1 | -178.8 | 175.6 | -174.6 | 0 | 113.6 | L160 T161 L180 K181 | L160-K164 WeakPolarHBondContact O-CA 3.27Å; L160-K164 PolarHBondContact O-N 2.97Å; T161-K164 PolarHBondContact O-N 2.92Å; K164-L180 HydrophobicContact CB-CB 4.39Å; K164-L180 WeakPolarHBondContact O-CB 3.42Å; K164-L180 WeakPolarHBondContact O-CG 3.38Å; K164-L180 PolarHBondContact O-N 3.29Å; K164-K181 HydrophobicContact CD-CD 4.41Å; K164-K181 HydrophobicContact CD-CG 3.95Å |
| 165 | I | 88.5 | Confident | 88 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141.2 | 179.7 | -60.7 | 176 | 0 | 0 | 0 | 108.9 | L160 R163 F177 W178 F186 I256 | L160-I165 HydrophobicContact CB-CB 4.47Å; L160-I165 WeakPolarHBondContact CB-O 3.27Å; L160-I165 PolarHBondContact N-O 2.9Å; L160-I165 PolarHBondContact O-N 2.8Å; R163-I165 VanDerWaalsContact C-N 3.29Å; R163-I165 HydrophobicContact CB-CD1 3.99Å; R163-I165 HydrophobicContact CB-CG1 4.08Å; R163-I165 PolarHBondContact O-N 3.43Å; I165-F177 HydrophobicContact CG2-CD1 4.27Å; I165-W178 CarbonylContact C-O 3.55Å; I165-W178 WeakPolarHBondContact CA-O 3.46Å; I165-F186 HydrophobicContact CD1-CZ 4.33Å; I165-F186 HydrophobicContact CG2-CE1 4.17Å; I165-F186 HydrophobicContact CG2-CZ 4.13Å; I165-I256 HydrophobicContact CD1-CD1 3.66Å; I165-I256 HydrophobicContact CD1-CG1 4.19Å; I165-I256 HydrophobicContact CG2-CD1 4.38Å |
| 166 | L | 91.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.3 | 173.9 | 168.6 | 74.2 | 0 | 0 | 0 | 109.6 | V127 I134 M147 M157 F177 W178 L180 | V127-L166 HydrophobicContact CB-CD1 4.49Å; V127-L166 HydrophobicContact CG1-CD1 4.07Å; V127-L166 HydrophobicContact CG1-CD2 3.88Å; V127-L166 HydrophobicContact CG2-CD1 4.49Å; I134-L166 HydrophobicContact CD1-CD2 4.25Å; I134-L166 HydrophobicContact CG2-CD2 3.73Å; M147-L166 HydrophobicContact CE-CD2 3.62Å; M157-L166 HydrophobicContact CB-CD1 4.39Å; M157-L166 HydrophobicContact CE-CD1 3.78Å; M157-L166 HydrophobicContact CE-CD2 3.59Å; M157-L166 HydrophobicContact CE-CG 4.1Å; L166-F177 CarbonylContact O-C 3.57Å; L166-F177 WeakPolarHBondContact O-CA 3.05Å; L166-W178 HydrophobicContact CB-CB 4.12Å; L166-W178 HydrophobicContact CD2-CB 4.4Å; L166-W178 HydrophobicContact CD2-CG 4.36Å; L166-W178 PolarHBondContact N-O 3Å; L166-W178 PolarHBondContact O-N 2.87Å; L166-L180 HydrophobicContact CB-CD2 4.04Å; L166-L180 HydrophobicContact CB-CG 4.35Å; L166-L180 HydrophobicContact CD2-CD2 4.45Å |
| 167 | I | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.8 | 174.6 | -57.7 | 174.7 | 0 | 0 | 0 | 107.8 | M157 K158 L160 I175 K176 F177 F199 L201 I222 | M157-I167 CarbonylContact C-O 3.58Å; M157-I167 VanDerWaalsContact CA-O 3.31Å; M157-I167 WeakPolarHBondContact CA-O 3.29Å; K158-I167 PolarHBondContact N-O 3.31Å; K158-I167 PolarHBondContact O-N 3.23Å; L160-I167 HydrophobicContact CD1-CD1 4.17Å; I167-I175 HydrophobicContact CG2-CG2 3.64Å; I167-K176 WeakPolarHBondContact CA-O 3.48Å; I167-F177 HydrophobicContact CD1-CD1 3.92Å; I167-F177 HydrophobicContact CD1-CE1 3.35Å; I167-F177 HydrophobicContact CD1-CZ 4.02Å; I167-F177 HydrophobicContact CG1-CD1 3.6Å; I167-F177 HydrophobicContact CG1-CE1 3.55Å; I167-F177 HydrophobicContact CG1-CG 4.38Å; I167-F177 HydrophobicContact CG1-CZ 4.26Å; I167-F177 HydrophobicContact CG2-CZ 4.43Å; I167-F199 HydrophobicContact CB-CE2 4.11Å; I167-F199 HydrophobicContact CB-CZ 3.98Å; I167-F199 HydrophobicContact CG2-CD2 4.45Å; I167-F199 HydrophobicContact CG2-CE1 4.29Å; I167-F199 HydrophobicContact CG2-CE2 3.68Å; I167-F199 HydrophobicContact CG2-CZ 3.59Å; I167-F199 WeakPolarHBondContact O-CZ 3.29Å; I167-L201 HydrophobicContact CD1-CD1 3.67Å; I167-L201 HydrophobicContact CD1-CD2 4.1Å; I167-L201 HydrophobicContact CD1-CG 4.45Å; I167-I222 HydrophobicContact CD1-CD1 4.35Å |
| 168 | S | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.3 | 176.6 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | H150 Q156 I175 K176 W178 | H150-S168 PolarHBondContact CD2-OG 2.94Å; H150-S168 PolarHBondContact NE2-OG 2.84Å; Q156-S168 WeakPolarHBondContact O-CA 3.38Å; S168-I175 CarbonylContact O-C 3.55Å; S168-I175 VanDerWaalsContact O-CA 3.26Å; S168-I175 WeakPolarHBondContact O-CA 3.07Å; S168-I175 WeakPolarHBondContact O-CG2 3.45Å; S168-K176 PolarHBondContact N-O 2.85Å; S168-K176 PolarHBondContact O-N 3.47Å; S168-W178 PolarHBondContact OG-NE1 2.81Å |
| 169 | S | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.6 | 170 | 61.6 | 0 | 0 | 0 | 0 | 110 | I154 T155 Q156 F199 | I154-S169 CarbonylContact C-O 3.49Å; I154-S169 WeakPolarHBondContact CA-O 3.27Å; I154-S169 WeakPolarHBondContact CG2-O 3.35Å; T155-S169 PolarHBondContact N-O 3.34Å; T155-S169 PolarHBondContact OG1-O 3.41Å; T155-S169 VanDerWaalsContact OG1-O 3.12Å; T155-S169 PolarHBondContact OG1-OG 3.12Å; Q156-S169 PolarHBondContact N-OG 3.3Å; Q156-S169 PolarHBondContact O-N 3.41Å; Q156-S169 PolarHBondContact O-OG 2.86Å; S169-F199 VanDerWaalsContact OG-CD1 3.3Å; S169-F199 WeakPolarHBondContact OG-CD1 3.47Å; S169-F199 WeakPolarHBondContact OG-CE1 3.22Å |
| 170 | A | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 171.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H150 I153 I154 D172 S173 F174 V196 | H150-A170 HydrophobicContact CB-CB 4.22Å; H150-A170 VanDerWaalsContact ND1-CB 3.34Å; H150-A170 WeakPolarHBondContact ND1-CB 3.4Å; I153-A170 CarbonylContact O-C 3.47Å; I153-A170 VanDerWaalsContact O-CA 3.29Å; I153-A170 WeakPolarHBondContact O-CA 3.47Å; I153-A170 WeakPolarHBondContact O-CB 3.39Å; I154-A170 HydrophobicContact CG1-CB 4.3Å; A170-D172 WeakPolarHBondContact CB-OD1 3.3Å; A170-D172 PolarHBondContact O-N 3.42Å; A170-S173 PolarHBondContact O-N 2.85Å; A170-F174 PolarHBondContact N-O 3.47Å; A170-V196 PolarHBondContact O-N 3.13Å |
| 171 | Q | 92.2 | Very high | 87.6 | Confident | 78 Ų | 78 | 40.3 Ų | 40.3 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.1 | 175.3 | -69.5 | -177.4 | -3.8 | 0 | 0 | 113.4 | I153 T155 S173 P195 W197 | I153-Q171 HydrophobicContact CB-CG 4.25Å; I153-Q171 PolarHBondContact O-N 3.21Å; T155-Q171 HydrophobicContact CG2-CG 3.81Å; Q171-S173 PolarHBondContact O-N 3.49Å; Q171-S173 VanDerWaalsContact O-N 3.13Å; Q171-P195 HydrophobicContact CB-CB 4.22Å; Q171-P195 HydrophobicContact CG-CB 4.38Å; Q171-W197 HydrophobicContact CG-CZ3 4.44Å |
| 172 | D | 90.5 | Very high | 88.2 | Confident | 27 Ų | 27 | 41.4 Ų | 41.4 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 8.6 | 174.7 | 62.1 | 12.5 | 0 | 0 | 0 | 113.8 | H150 H151 A170 F174 | H150-D172 IonicContact CG-OD2 2.72Å; H150-D172 IonicContact ND1-OD1 3.94Å; H150-D172 IonicContact ND1-OD2 3.77Å; H150-D172 PolarHBondContact ND1-OD2 3.32Å; H151-D172 PolarHBondContact N-OD2 2.76Å; A170-D172 WeakPolarHBondContact CB-OD1 3.3Å; A170-D172 PolarHBondContact O-N 3.42Å; D172-F174 HydrophobicContact CB-CD2 4Å; D172-F174 HydrophobicContact CB-CE2 4.46Å; D172-F174 VanDerWaalsContact O-CD2 3.3Å; D172-F174 WeakPolarHBondContact O-CD2 3.5Å; D172-F174 WeakPolarHBondContact O-CE2 3.48Å; D172-F174 PolarHBondContact O-N 3.18Å; D172-F174 WeakPolarHBondContact OD1-CB 3.36Å; D172-F174 PolarHBondContact OD1-N 2.98Å |
| 173 | S | 90.6 | Very high | 88.7 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 20% | 0.203 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 71.7 | -0.4 | -177.3 | 77.3 | 0 | 0 | 0 | 0 | 115.5 | A170 Q171 H192 G194 | A170-S173 PolarHBondContact O-N 2.85Å; Q171-S173 PolarHBondContact O-N 3.49Å; Q171-S173 VanDerWaalsContact O-N 3.13Å; S173-H192 WeakPolarHBondContact O-CB 3.42Å; S173-H192 PolarHBondContact O-CD2 3.34Å; S173-H192 VanDerWaalsContact O-CD2 3.28Å; S173-G194 VanDerWaalsContact CB-O 3.23Å; S173-G194 WeakPolarHBondContact CB-O 3.49Å |
| 174 | F | 92.6 | Very high | 89.2 | Confident | 68 Ų | 68 | 34.4 Ų | 34.4 | 30% | 0.298 | 17% | 0.166 | S | C | . | . | trans | -97.1 | 146 | -177.6 | -58.2 | -57.8 | 0 | 0 | 0 | 112.4 | A170 D172 T188 T190 | A170-F174 PolarHBondContact N-O 3.47Å; D172-F174 HydrophobicContact CB-CD2 4Å; D172-F174 HydrophobicContact CB-CE2 4.46Å; D172-F174 VanDerWaalsContact O-CD2 3.3Å; D172-F174 WeakPolarHBondContact O-CD2 3.5Å; D172-F174 WeakPolarHBondContact O-CE2 3.48Å; D172-F174 PolarHBondContact O-N 3.18Å; D172-F174 WeakPolarHBondContact OD1-CB 3.36Å; D172-F174 PolarHBondContact OD1-N 2.98Å; F174-T188 HydrophobicContact CB-CG2 3.9Å; F174-T188 HydrophobicContact CD1-CG2 3.89Å; F174-T188 HydrophobicContact CG-CG2 3.99Å; F174-T190 HydrophobicContact CD1-CG2 3.92Å; F174-T190 HydrophobicContact CE1-CG2 3.73Å | ||
| 175 | I | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.1 | 162.5 | -56.3 | 173.4 | 0 | 0 | 0 | 106.9 | I167 S168 F177 T188 L189 V196 L208 | I167-I175 HydrophobicContact CG2-CG2 3.64Å; S168-I175 CarbonylContact O-C 3.55Å; S168-I175 VanDerWaalsContact O-CA 3.26Å; S168-I175 WeakPolarHBondContact O-CA 3.07Å; S168-I175 WeakPolarHBondContact O-CG2 3.45Å; I175-F177 HydrophobicContact CG2-CE2 4.36Å; I175-T188 CarbonylContact O-C 3.53Å; I175-T188 WeakPolarHBondContact O-CA 3.27Å; I175-L189 HydrophobicContact CB-CB 4.11Å; I175-L189 HydrophobicContact CB-CD1 4.2Å; I175-L189 HydrophobicContact CG2-CD1 4.3Å; I175-L189 PolarHBondContact N-O 2.77Å; I175-L189 PolarHBondContact O-N 2.93Å; I175-V196 HydrophobicContact CD1-CG1 4.23Å; I175-V196 HydrophobicContact CG1-CG1 4.24Å; I175-V196 HydrophobicContact CG1-CG2 4.23Å; I175-L208 HydrophobicContact CD1-CD2 4.44Å; I175-L208 HydrophobicContact CG2-CD2 4.49Å |
| 176 | K | 92 | Very high | 89.2 | Confident | 29 Ų | 29 | 33 Ų | 33 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.7 | -177.5 | -69.6 | -170.7 | 173.2 | -160.6 | 0 | 111.1 | G149 H150 I167 S168 W178 A187 T188 | G149-K176 PolarHBondContact O-NZ 3.39Å; H150-K176 VanDerWaalsContact CE1-CG 3.49Å; H150-K176 WeakPolarHBondContact CE1-CG 3.43Å; I167-K176 WeakPolarHBondContact CA-O 3.48Å; S168-K176 PolarHBondContact N-O 2.85Å; S168-K176 PolarHBondContact O-N 3.47Å; K176-W178 HydrophobicContact CB-CZ2 4.16Å; K176-W178 HydrophobicContact CD-CZ2 3.91Å; K176-A187 WeakPolarHBondContact CA-O 3.5Å; K176-T188 HydrophobicContact CG-CG2 4.07Å |
| 177 | F | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.2 | 172.5 | -66.5 | -106.8 | 0 | 0 | 0 | 108.8 | I165 L166 I167 I175 C185 F186 A187 L189 L208 I222 I256 I258 | I165-F177 HydrophobicContact CG2-CD1 4.27Å; L166-F177 CarbonylContact O-C 3.57Å; L166-F177 WeakPolarHBondContact O-CA 3.05Å; I167-F177 HydrophobicContact CD1-CD1 3.92Å; I167-F177 HydrophobicContact CD1-CE1 3.35Å; I167-F177 HydrophobicContact CD1-CZ 4.02Å; I167-F177 HydrophobicContact CG1-CD1 3.6Å; I167-F177 HydrophobicContact CG1-CE1 3.55Å; I167-F177 HydrophobicContact CG1-CG 4.38Å; I167-F177 HydrophobicContact CG1-CZ 4.26Å; I167-F177 HydrophobicContact CG2-CZ 4.43Å; I175-F177 HydrophobicContact CG2-CE2 4.36Å; F177-C185 VanDerWaalsContact O-CA 3.32Å; F177-C185 WeakPolarHBondContact O-CA 3.44Å; F177-C185 PolarHBondContact O-SG 3.43Å; F177-C185 VanDerWaalsContact O-SG 3.35Å; F177-F186 HydrophobicContact CB-CD1 4.42Å; F177-F186 HydrophobicContact CB-CE1 3.81Å; F177-F186 HydrophobicContact CB-CE2 3.94Å; F177-F186 HydrophobicContact CB-CZ 3.54Å; F177-F186 HydrophobicContact CD1-CZ 4.42Å; F177-F186 HydrophobicContact CG-CZ 4.35Å; F177-F186 PolarHBondContact O-N 2.99Å; F177-F186 VanDerWaalsContact O-N 3.07Å; F177-A187 HydrophobicContact CB-CB 4.1Å; F177-A187 HydrophobicContact CD2-CB 4.16Å; F177-A187 HydrophobicContact CG-CB 4.34Å; F177-A187 PolarHBondContact N-O 3.49Å; F177-L189 HydrophobicContact CE2-CD1 3.64Å; F177-L189 HydrophobicContact CE2-CG 3.85Å; F177-L189 HydrophobicContact CZ-CD1 4.15Å; F177-L208 HydrophobicContact CZ-CD2 4.29Å; F177-I222 HydrophobicContact CE1-CD1 4.12Å; F177-I222 HydrophobicContact CZ-CD1 4.17Å; F177-I256 HydrophobicContact CD1-CD1 3.99Å; F177-I256 HydrophobicContact CE1-CD1 4.27Å; F177-I258 HydrophobicContact CD2-CD1 3.87Å; F177-I258 HydrophobicContact CE1-CD1 4.16Å; F177-I258 HydrophobicContact CE2-CD1 3.31Å; F177-I258 HydrophobicContact CZ-CD1 3.48Å; F177-I258 VanDerWaalsContact CZ-CD1 3.48Å; F177-I258 HydrophobicContact CZ-CG1 4.46Å |
| 178 | W | 90.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.1 | -176.5 | -52.8 | 83.4 | 0 | 0 | 0 | 109.1 | I134 M147 H150 I165 L166 S168 K176 H184 C185 | I134-W178 HydrophobicContact CD1-CD2 4.39Å; I134-W178 HydrophobicContact CD1-CZ2 3.92Å; M147-W178 HydrophobicContact CB-CE3 4.25Å; M147-W178 HydrophobicContact CB-CZ3 4.09Å; M147-W178 HydrophobicContact CE-CB 4.24Å; M147-W178 HydrophobicContact CE-CD2 4.37Å; M147-W178 HydrophobicContact CE-CE3 4.38Å; M147-W178 HydrophobicContact CE-CG 4.32Å; M147-W178 HydrophobicContact SD-CB 4.41Å; M147-W178 HydrophobicContact SD-CD2 4.47Å; M147-W178 HydrophobicContact SD-CE3 3.94Å; H150-W178 AromaticContact CD2-CZ2 3.99Å; I165-W178 CarbonylContact C-O 3.55Å; I165-W178 WeakPolarHBondContact CA-O 3.46Å; L166-W178 HydrophobicContact CB-CB 4.12Å; L166-W178 HydrophobicContact CD2-CB 4.4Å; L166-W178 HydrophobicContact CD2-CG 4.36Å; L166-W178 PolarHBondContact N-O 3Å; L166-W178 PolarHBondContact O-N 2.87Å; S168-W178 PolarHBondContact OG-NE1 2.81Å; K176-W178 HydrophobicContact CB-CZ2 4.16Å; K176-W178 HydrophobicContact CD-CZ2 3.91Å; W178-H184 WeakPolarHBondContact CA-O 3.39Å; W178-C185 HydrophobicContact CD2-CB 4.08Å; W178-C185 HydrophobicContact CE3-CB 3.74Å; W178-C185 HydrophobicContact CH2-CB 3.96Å; W178-C185 HydrophobicContact CZ2-CB 4.28Å; W178-C185 HydrophobicContact CZ3-CB 3.68Å |
| 179 | D | 87.9 | Confident | 88.6 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.059 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.5 | 167.3 | 173.8 | 19.6 | 0 | 0 | 0 | 108.7 | K181 T182 Q183 H184 F186 | D179-K181 VanDerWaalsContact C-N 3.29Å; D179-K181 PolarHBondContact O-N 3.03Å; D179-K181 PolarHBondContact OD1-N 3.19Å; D179-T182 VanDerWaalsContact CB-OG1 3.31Å; D179-T182 WeakPolarHBondContact CB-OG1 3.32Å; D179-T182 WeakPolarHBondContact OD2-CG2 3.14Å; D179-T182 PolarHBondContact OD2-OG1 3.11Å; D179-Q183 VanDerWaalsContact O-CA 3.23Å; D179-Q183 WeakPolarHBondContact O-CA 3.42Å; D179-Q183 PolarHBondContact O-N 3.43Å; D179-H184 PolarHBondContact N-O 2.94Å; D179-H184 VanDerWaalsContact N-O 3.17Å; D179-F186 HydrophobicContact CB-CD1 3.99Å; D179-F186 HydrophobicContact CB-CE1 4.21Å |
| 180 | L | 83.9 | Confident | 88.3 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20.2 | -176.5 | -63.9 | 166.6 | 0 | 0 | 0 | 112.8 | L125 V136 M147 L159 K164 L166 | L125-L180 HydrophobicContact CD2-CD1 3.86Å; V136-L180 HydrophobicContact CG1-CD2 4.29Å; V136-L180 HydrophobicContact CG2-CD2 3.8Å; M147-L180 HydrophobicContact CE-CD2 4.33Å; L159-L180 HydrophobicContact CD1-CD1 3.29Å; K164-L180 HydrophobicContact CB-CB 4.39Å; K164-L180 WeakPolarHBondContact O-CB 3.42Å; K164-L180 WeakPolarHBondContact O-CG 3.38Å; K164-L180 PolarHBondContact O-N 3.29Å; L166-L180 HydrophobicContact CB-CD2 4.04Å; L166-L180 HydrophobicContact CB-CG 4.35Å; L166-L180 HydrophobicContact CD2-CD2 4.45Å |
| 181 | K | 84.6 | Confident | 87.7 | Confident | 141 Ų | 141 | 43.2 Ų | 43.2 | 61% | 0.613 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -44.2 | 177.8 | -67 | -178.5 | -175.2 | 173.6 | 0 | 111.4 | K164 D179 | K164-K181 HydrophobicContact CD-CD 4.41Å; K164-K181 HydrophobicContact CD-CG 3.95Å; D179-K181 VanDerWaalsContact C-N 3.29Å; D179-K181 PolarHBondContact O-N 3.03Å; D179-K181 PolarHBondContact OD1-N 3.19Å |
| 182 | T | 82.5 | Confident | 87.4 | Confident | 73 Ų | 73 | 40 Ų | 40 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -13.9 | -171.3 | 53 | 0 | 0 | 0 | 0 | 112.4 | D179 H184 | D179-T182 VanDerWaalsContact CB-OG1 3.31Å; D179-T182 WeakPolarHBondContact CB-OG1 3.32Å; D179-T182 WeakPolarHBondContact OD2-CG2 3.14Å; D179-T182 PolarHBondContact OD2-OG1 3.11Å; T182-H184 WeakPolarHBondContact CB-CE1 3.43Å; T182-H184 WeakPolarHBondContact CB-ND1 3.42Å; T182-H184 PolarHBondContact O-N 3.42Å; T182-H184 PolarHBondContact OG1-CE1 3.49Å; T182-H184 PolarHBondContact OG1-ND1 3.45Å |
| 183 | Q | 82.5 | Confident | 87.2 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | trans | 62.5 | 22.9 | 173.3 | -59.6 | 170.6 | 8.3 | 0 | 0 | 114.3 | M147 D179 V809 | M147-Q183 HydrophobicContact CG-CB 4.27Å; M147-Q183 HydrophobicContact SD-CB 4.14Å; D179-Q183 VanDerWaalsContact O-CA 3.23Å; D179-Q183 WeakPolarHBondContact O-CA 3.42Å; D179-Q183 PolarHBondContact O-N 3.43Å; Q183-V809 HydrophobicContact CB-CG1 4.08Å; Q183-V809 HydrophobicContact CB-CG2 3.71Å; Q183-V809 WeakPolarHBondContact O-CG2 3.46Å | ||
| 184 | H | 84.8 | Confident | 87.2 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -108.9 | 156.1 | 174.1 | 66.2 | -88.7 | 0 | 0 | 0 | 111.4 | W178 D179 T182 | W178-H184 WeakPolarHBondContact CA-O 3.39Å; D179-H184 PolarHBondContact N-O 2.94Å; D179-H184 VanDerWaalsContact N-O 3.17Å; T182-H184 WeakPolarHBondContact CB-CE1 3.43Å; T182-H184 WeakPolarHBondContact CB-ND1 3.42Å; T182-H184 PolarHBondContact O-N 3.42Å; T182-H184 PolarHBondContact OG1-CE1 3.49Å; T182-H184 PolarHBondContact OG1-ND1 3.45Å |
| 185 | C | 86.1 | Confident | 87.1 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 118.2 | 167.2 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | F177 W178 A187 | F177-C185 VanDerWaalsContact O-CA 3.32Å; F177-C185 WeakPolarHBondContact O-CA 3.44Å; F177-C185 PolarHBondContact O-SG 3.43Å; F177-C185 VanDerWaalsContact O-SG 3.35Å; W178-C185 HydrophobicContact CD2-CB 4.08Å; W178-C185 HydrophobicContact CE3-CB 3.74Å; W178-C185 HydrophobicContact CH2-CB 3.96Å; W178-C185 HydrophobicContact CZ2-CB 4.28Å; W178-C185 HydrophobicContact CZ3-CB 3.68Å; C185-A187 PolarHBondContact SG-O 3.49Å |
| 186 | F | 85.9 | Confident | 87.1 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -21.9 | -179.2 | 67.7 | -94.4 | 0 | 0 | 0 | 113.3 | I165 F177 D179 I256 | I165-F186 HydrophobicContact CD1-CZ 4.33Å; I165-F186 HydrophobicContact CG2-CE1 4.17Å; I165-F186 HydrophobicContact CG2-CZ 4.13Å; F177-F186 HydrophobicContact CB-CD1 4.42Å; F177-F186 HydrophobicContact CB-CE1 3.81Å; F177-F186 HydrophobicContact CB-CE2 3.94Å; F177-F186 HydrophobicContact CB-CZ 3.54Å; F177-F186 HydrophobicContact CD1-CZ 4.42Å; F177-F186 HydrophobicContact CG-CZ 4.35Å; F177-F186 PolarHBondContact O-N 2.99Å; F177-F186 VanDerWaalsContact O-N 3.07Å; D179-F186 HydrophobicContact CB-CD1 3.99Å; D179-F186 HydrophobicContact CB-CE1 4.21Å; F186-I256 HydrophobicContact CE2-CB 4.31Å; F186-I256 HydrophobicContact CE2-CD1 4.27Å; F186-I256 HydrophobicContact CE2-CG1 4.24Å; F186-I256 HydrophobicContact CZ-CD1 3.94Å; F186-I256 HydrophobicContact CZ-CG1 4.29Å |
| 187 | A | 85.5 | Confident | 87.1 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 19% | 0.19 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K176 F177 C185 | K176-A187 WeakPolarHBondContact CA-O 3.5Å; F177-A187 HydrophobicContact CB-CB 4.1Å; F177-A187 HydrophobicContact CD2-CB 4.16Å; F177-A187 HydrophobicContact CG-CB 4.34Å; F177-A187 PolarHBondContact N-O 3.49Å; C185-A187 PolarHBondContact SG-O 3.49Å |
| 188 | T | 90 | Very high | 87 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.7 | 174.5 | -61.4 | 0 | 0 | 0 | 0 | 108.9 | F174 I175 K176 T190 | F174-T188 HydrophobicContact CB-CG2 3.9Å; F174-T188 HydrophobicContact CD1-CG2 3.89Å; F174-T188 HydrophobicContact CG-CG2 3.99Å; I175-T188 CarbonylContact O-C 3.53Å; I175-T188 WeakPolarHBondContact O-CA 3.27Å; K176-T188 HydrophobicContact CG-CG2 4.07Å; T188-T190 HydrophobicContact CG2-CG2 4.48Å |
| 189 | L | 88.6 | Confident | 87.2 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.2 | 172.7 | -67.1 | 174.5 | 0 | 0 | 0 | 110.4 | I175 F177 L208 W220 I258 | I175-L189 HydrophobicContact CB-CB 4.11Å; I175-L189 HydrophobicContact CB-CD1 4.2Å; I175-L189 HydrophobicContact CG2-CD1 4.3Å; I175-L189 PolarHBondContact N-O 2.77Å; I175-L189 PolarHBondContact O-N 2.93Å; F177-L189 HydrophobicContact CE2-CD1 3.64Å; F177-L189 HydrophobicContact CE2-CG 3.85Å; F177-L189 HydrophobicContact CZ-CD1 4.15Å; L189-L208 HydrophobicContact CD1-CD2 3.87Å; L189-W220 HydrophobicContact CD1-CD2 4.25Å; L189-W220 HydrophobicContact CD1-CE3 4.47Å; L189-W220 HydrophobicContact CD1-CG 4.44Å; L189-W220 HydrophobicContact CD2-CE3 4.11Å; L189-W220 HydrophobicContact CD2-CZ3 4.13Å; L189-I258 HydrophobicContact CD1-CD1 4.24Å; L189-I258 HydrophobicContact CD1-CG2 4.34Å; L189-I258 HydrophobicContact CD2-CB 4.04Å; L189-I258 HydrophobicContact CD2-CD1 3.67Å; L189-I258 HydrophobicContact CD2-CG1 4.45Å; L189-I258 HydrophobicContact CD2-CG2 3.71Å; L189-I258 HydrophobicContact CG-CD1 4Å |
| 190 | T | 86.9 | Confident | 87.3 | Confident | 63 Ų | 63 | 41.3 Ų | 41.3 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | trans | -112.5 | 148.9 | 174.1 | 62.4 | 0 | 0 | 0 | 0 | 109.2 | F174 T188 | F174-T190 HydrophobicContact CD1-CG2 3.92Å; F174-T190 HydrophobicContact CE1-CG2 3.73Å; T188-T190 HydrophobicContact CG2-CG2 4.48Å | ||
| 191 | G | 80 | Confident | 87.6 | Confident | 52 Ų | 52 | 40.1 Ų | 40.1 | 54% | 0.536 | 23% | 0.233 | S | C | . | . | trans | 135.8 | 1.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R218 | G191-R218 PolarHBondContact O-NE 3.39Š| ||
| 192 | H | 86.5 | Confident | 87.6 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | trans | -87.5 | 128.2 | 172 | -60.2 | -66.9 | 0 | 0 | 0 | 109.9 | S173 G194 V196 S210 T212 W220 | S173-H192 WeakPolarHBondContact O-CB 3.42Å; S173-H192 PolarHBondContact O-CD2 3.34Å; S173-H192 VanDerWaalsContact O-CD2 3.28Å; H192-G194 PolarHBondContact O-N 3.34Å; H192-V196 HydrophobicContact CB-CG2 3.91Å; H192-V196 VanDerWaalsContact CD2-CG2 3.42Å; H192-V196 WeakPolarHBondContact CD2-CG2 3.11Å; H192-V196 VanDerWaalsContact CG-CG2 3.43Å; H192-S210 PolarHBondContact CE1-OG 2.9Å; H192-T212 HydrophobicContact CB-CG2 4.02Å; H192-T212 WeakPolarHBondContact ND1-CG2 3.3Å; H192-W220 AromaticContact CE1-CZ2 3.82Å; H192-W220 AromaticContact CE1-NE1 3.79Å; H192-W220 AromaticContact NE2-CZ2 3.69Å; H192-W220 AromaticContact NE2-NE1 3.92Å | ||
| 193 | P | 86.8 | Confident | 87.4 | Confident | 87 Ų | 87 | 39 Ų | 39 | 57% | 0.565 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -77 | -1.8 | 179.6 | 30.1 | -33.9 | 0 | 0 | 0 | 113 | D214 R218 | P193-D214 WeakPolarHBondContact CG-OD2 3.38Å; P193-R218 VanDerWaalsContact CD-CZ 3.48Å |
| 194 | G | 89.1 | Confident | 86.9 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 19% | 0.186 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -165 | -170.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S173 H192 V196 | S173-G194 VanDerWaalsContact CB-O 3.23Å; S173-G194 WeakPolarHBondContact CB-O 3.49Å; H192-G194 PolarHBondContact O-N 3.34Å; G194-V196 PolarHBondContact O-N 3.01Å |
| 195 | P | 91.8 | Very high | 86.7 | Confident | 29 Ų | 29 | 38 Ų | 38 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | trans | -62.2 | 138.1 | -175.7 | 25.9 | -34.7 | 0 | 0 | 0 | 111.3 | Q171 W197 | Q171-P195 HydrophobicContact CB-CB 4.22Å; Q171-P195 HydrophobicContact CG-CB 4.38Å; P195-W197 HydrophobicContact CB-CZ2 4.32Å; P195-W197 HydrophobicContact CG-CZ2 3.88Å | ||
| 196 | V | 93.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -86.3 | 115.5 | 172.3 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | T155 A170 I175 H192 G194 T212 | T155-V196 WeakPolarHBondContact CB-O 3.42Å; T155-V196 VanDerWaalsContact CG2-O 3.29Å; T155-V196 WeakPolarHBondContact CG2-O 3.37Å; T155-V196 PolarHBondContact OG1-O 3.43Å; A170-V196 PolarHBondContact O-N 3.13Å; I175-V196 HydrophobicContact CD1-CG1 4.23Å; I175-V196 HydrophobicContact CG1-CG1 4.24Å; I175-V196 HydrophobicContact CG1-CG2 4.23Å; H192-V196 HydrophobicContact CB-CG2 3.91Å; H192-V196 VanDerWaalsContact CD2-CG2 3.42Å; H192-V196 WeakPolarHBondContact CD2-CG2 3.11Å; H192-V196 VanDerWaalsContact CG-CG2 3.43Å; G194-V196 PolarHBondContact O-N 3.01Å; V196-T212 HydrophobicContact CG2-CG2 4.44Å | ||
| 197 | W | 90.5 | Very high | 86.6 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 21% | 0.205 | 23% | 0.227 | C | C | . | . | trans | -89 | -36 | -176.6 | -69 | 108.2 | 0 | 0 | 0 | 113.2 | T155 Q171 P195 G211 N213 R271 V272 | T155-W197 WeakPolarHBondContact CB-O 3.38Å; T155-W197 HydrophobicContact CG2-CE3 4.15Å; Q171-W197 HydrophobicContact CG-CZ3 4.44Å; P195-W197 HydrophobicContact CB-CZ2 4.32Å; P195-W197 HydrophobicContact CG-CZ2 3.88Å; W197-G211 PolarHBondContact N-O 3Å; W197-N213 PolarHBondContact NE1-OD1 2.89Å; W197-R271 VanDerWaalsContact CZ2-NH1 3.27Å; W197-V272 WeakPolarHBondContact CB-O 3.31Å | ||
| 198 | D | 90.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 153.7 | 179.1 | -131.3 | 41 | 0 | 0 | 0 | 109.1 | K25 Q156 G211 C274 L275 | K25-D198 IonicContact NZ-OD1 3.19Å; K25-D198 PolarHBondContact NZ-OD1 3.35Å; K25-D198 IonicContact NZ-OD2 2.68Å; K25-D198 PolarHBondContact NZ-OD2 2.94Å; Q156-D198 VanDerWaalsContact OE1-CA 3.26Å; Q156-D198 PolarHBondContact OE1-OD1 3.06Å; Q156-D198 PolarHBondContact OE1-OD2 2.92Å; D198-G211 PolarHBondContact O-N 3.49Å; D198-C274 VanDerWaalsContact OD2-CA 3.28Å; D198-C274 WeakPolarHBondContact OD2-CA 3.29Å; D198-L275 HydrophobicContact CB-CB 4.25Å; D198-L275 HydrophobicContact CB-CD1 4.39Å; D198-L275 HydrophobicContact CB-CG 4.32Å; D198-L275 PolarHBondContact OD2-N 2.9Å |
| 199 | F | 92.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.3 | 165.3 | 72.1 | -90.5 | 0 | 0 | 0 | 111.2 | Q156 K158 I167 S169 L201 L208 V209 | Q156-F199 HydrophobicContact CB-CD1 4.05Å; Q156-F199 HydrophobicContact CB-CE1 3.87Å; Q156-F199 HydrophobicContact CG-CD1 4.29Å; Q156-F199 HydrophobicContact CG-CE1 4Å; Q156-F199 HydrophobicContact CG-CZ 4.45Å; Q156-F199 PolarHBondContact NE2-O 2.65Å; Q156-F199 VanDerWaalsContact NE2-O 3.09Å; Q156-F199 WeakPolarHBondContact O-CE1 3.41Å; Q156-F199 PolarHBondContact OE1-O 2.83Å; K158-F199 HydrophobicContact CB-CE2 3.81Å; K158-F199 HydrophobicContact CB-CZ 3.98Å; I167-F199 HydrophobicContact CB-CE2 4.11Å; I167-F199 HydrophobicContact CB-CZ 3.98Å; I167-F199 HydrophobicContact CG2-CD2 4.45Å; I167-F199 HydrophobicContact CG2-CE1 4.29Å; I167-F199 HydrophobicContact CG2-CE2 3.68Å; I167-F199 HydrophobicContact CG2-CZ 3.59Å; I167-F199 WeakPolarHBondContact O-CZ 3.29Å; S169-F199 VanDerWaalsContact OG-CD1 3.3Å; S169-F199 WeakPolarHBondContact OG-CD1 3.47Å; S169-F199 WeakPolarHBondContact OG-CE1 3.22Å; F199-L201 HydrophobicContact CD2-CG 4.46Å; F199-L201 HydrophobicContact CE2-CD1 4.41Å; F199-L201 HydrophobicContact CE2-CG 4.36Å; F199-L208 HydrophobicContact CB-CD1 3.76Å; F199-L208 HydrophobicContact CD2-CD1 3.24Å; F199-L208 HydrophobicContact CE2-CD1 4.1Å; F199-L208 HydrophobicContact CG-CD1 3.79Å; F199-V209 CarbonylContact C-O 3.54Å; F199-V209 WeakPolarHBondContact CA-O 3.44Å; F199-V209 WeakPolarHBondContact CB-O 3.49Å |
| 200 | A | 91 | Very high | 87.1 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V209 L275 F277 L284 | A200-V209 PolarHBondContact N-O 2.83Å; A200-V209 PolarHBondContact O-N 2.76Å; A200-L275 HydrophobicContact CB-CB 3.91Å; A200-F277 HydrophobicContact CB-CD2 3.37Å; A200-F277 HydrophobicContact CB-CE2 3.71Å; A200-F277 HydrophobicContact CB-CG 4.4Å; A200-F277 WeakPolarHBondContact O-CE2 3.29Å; A200-L284 HydrophobicContact CB-CD1 3.95Å |
| 201 | L | 88.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.5 | 170.8 | -63.3 | 164.7 | 0 | 0 | 0 | 109.6 | K158 L160 I167 F199 L207 L208 I222 F277 | K158-L201 HydrophobicContact CB-CD1 4.09Å; K158-L201 HydrophobicContact CD-CB 3.95Å; K158-L201 HydrophobicContact CD-CD1 3.57Å; K158-L201 HydrophobicContact CD-CG 4.01Å; K158-L201 HydrophobicContact CG-CD1 3.79Å; K158-L201 PolarHBondContact NZ-O 3.41Å; L160-L201 HydrophobicContact CD2-CD1 3.89Å; I167-L201 HydrophobicContact CD1-CD1 3.67Å; I167-L201 HydrophobicContact CD1-CD2 4.1Å; I167-L201 HydrophobicContact CD1-CG 4.45Å; F199-L201 HydrophobicContact CD2-CG 4.46Å; F199-L201 HydrophobicContact CE2-CD1 4.41Å; F199-L201 HydrophobicContact CE2-CG 4.36Å; L201-L207 WeakPolarHBondContact CA-O 3.38Å; L201-L208 HydrophobicContact CD2-CB 3.67Å; L201-L208 HydrophobicContact CD2-CD1 3.59Å; L201-L208 HydrophobicContact CD2-CG 4.19Å; L201-L208 HydrophobicContact CG-CD1 4.14Å; L201-I222 HydrophobicContact CD2-CD1 3.83Å; L201-F277 WeakPolarHBondContact O-CD2 3.18Å |
| 202 | T | 85.3 | Confident | 87.7 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | trans | -63.9 | 164.8 | 167.8 | 53 | 0 | 0 | 0 | 0 | 111.4 | C204 D205 L207 F277 L298 | T202-C204 PolarHBondContact O-N 3.03Å; T202-D205 PolarHBondContact O-N 3Å; T202-L207 HydrophobicContact CG2-CB 3.74Å; T202-L207 HydrophobicContact CG2-CD2 4.31Å; T202-L207 PolarHBondContact N-O 2.81Å; T202-L207 VanDerWaalsContact N-O 3.09Å; T202-L207 PolarHBondContact OG1-N 2.84Å; T202-L207 PolarHBondContact OG1-O 2.6Å; T202-F277 HydrophobicContact CG2-CD1 4.11Å; T202-F277 HydrophobicContact CG2-CD2 4.29Å; T202-F277 HydrophobicContact CG2-CE1 3.68Å; T202-F277 HydrophobicContact CG2-CE2 3.91Å; T202-F277 HydrophobicContact CG2-CG 4.41Å; T202-F277 HydrophobicContact CG2-CZ 3.59Å; T202-L298 HydrophobicContact CG2-CD2 3.81Å | ||
| 203 | R | 77.5 | Confident | 87.7 | Confident | 182 Ų | 182 | 32.1 Ų | 32.1 | 69% | 0.687 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34.3 | -179.8 | -176.3 | -174.9 | 179.8 | 137.4 | -6.9 | 113.5 | D205 P279 | R203-D205 VanDerWaalsContact C-N 3.27Å; R203-P279 WeakPolarHBondContact CD-O 3.39Å; R203-P279 PolarHBondContact NH1-O 3.29Å |
| 204 | C | 72.1 | Confident | 87.7 | Confident | 82 Ų | 82 | 30.8 Ų | 30.8 | 55% | 0.554 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.9 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | T202 E206 | T202-C204 PolarHBondContact O-N 3.03Å; C204-E206 HydrophobicContact CB-CG 3.96Å; C204-E206 PolarHBondContact O-N 3.27Å; C204-E206 VanDerWaalsContact O-N 3.07Å |
| 205 | D | 80.6 | Confident | 87.7 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 54.4 | 23.8 | -176 | -52.3 | -45.2 | 0 | 0 | 0 | 114.7 | L160 T202 R203 Y224 | L160-D205 HydrophobicContact CD1-CB 4.1Å; L160-D205 HydrophobicContact CD2-CB 4.28Å; L160-D205 VanDerWaalsContact CD2-OD1 3.27Å; L160-D205 WeakPolarHBondContact CD2-OD1 3.49Å; L160-D205 VanDerWaalsContact CD2-OD2 3.27Å; L160-D205 WeakPolarHBondContact CD2-OD2 3.44Å; T202-D205 PolarHBondContact O-N 3Å; R203-D205 VanDerWaalsContact C-N 3.27Å; D205-Y224 HydrophobicContact CB-CE2 4.39Å; D205-Y224 WeakPolarHBondContact CB-OH 3.29Å; D205-Y224 WeakPolarHBondContact O-CE2 3.17Å; D205-Y224 PolarHBondContact O-OH 2.81Å |
| 206 | E | 83.8 | Confident | 87.6 | Confident | 105 Ų | 105 | 35 Ų | 35 | 49% | 0.491 | 17% | 0.169 | S | C | . | . | trans | -88.8 | -27.1 | 179.8 | -66.5 | -178.7 | 170.1 | 0 | 0 | 112.5 | C204 Q221 I222 | C204-E206 HydrophobicContact CB-CG 3.96Å; C204-E206 PolarHBondContact O-N 3.27Å; C204-E206 VanDerWaalsContact O-N 3.07Å; E206-Q221 CarbonylContact O-C 3.56Å; E206-Q221 WeakPolarHBondContact O-CA 3.28Å; E206-I222 PolarHBondContact O-N 3.12Å | ||
| 207 | L | 87.3 | Confident | 87.4 | Confident | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120 | -174.6 | -162.1 | 77.3 | 0 | 0 | 0 | 109.8 | L201 T202 V209 V219 W220 L298 L333 | L201-L207 WeakPolarHBondContact CA-O 3.38Å; T202-L207 HydrophobicContact CG2-CB 3.74Å; T202-L207 HydrophobicContact CG2-CD2 4.31Å; T202-L207 PolarHBondContact N-O 2.81Å; T202-L207 VanDerWaalsContact N-O 3.09Å; T202-L207 PolarHBondContact OG1-N 2.84Å; T202-L207 PolarHBondContact OG1-O 2.6Å; L207-V209 HydrophobicContact CD2-CG2 4.42Å; L207-V219 HydrophobicContact CD1-CG1 3.34Å; L207-V219 HydrophobicContact CD2-CG1 4.05Å; L207-V219 HydrophobicContact CG-CG1 3.74Å; L207-W220 WeakPolarHBondContact CA-O 3.43Å; L207-L298 HydrophobicContact CD2-CD1 3.56Å; L207-L298 HydrophobicContact CD2-CD2 4.45Å; L207-L333 HydrophobicContact CD2-CD1 3.95Å; L207-L333 HydrophobicContact CD2-CG 4.28Å |
| 208 | L | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120 | 176 | 169 | 68 | 0 | 0 | 0 | 108.8 | I175 F177 L189 F199 L201 W220 I222 | I175-L208 HydrophobicContact CD1-CD2 4.44Å; I175-L208 HydrophobicContact CG2-CD2 4.49Å; F177-L208 HydrophobicContact CZ-CD2 4.29Å; L189-L208 HydrophobicContact CD1-CD2 3.87Å; F199-L208 HydrophobicContact CB-CD1 3.76Å; F199-L208 HydrophobicContact CD2-CD1 3.24Å; F199-L208 HydrophobicContact CE2-CD1 4.1Å; F199-L208 HydrophobicContact CG-CD1 3.79Å; L201-L208 HydrophobicContact CD2-CB 3.67Å; L201-L208 HydrophobicContact CD2-CD1 3.59Å; L201-L208 HydrophobicContact CD2-CG 4.19Å; L201-L208 HydrophobicContact CG-CD1 4.14Å; L208-W220 HydrophobicContact CB-CB 4.1Å; L208-W220 HydrophobicContact CD2-CB 4.31Å; L208-W220 HydrophobicContact CD2-CG 4.39Å; L208-W220 HydrophobicContact CG-CB 4.41Å; L208-W220 PolarHBondContact N-O 2.79Å; L208-W220 PolarHBondContact O-N 2.69Å; L208-I222 HydrophobicContact CB-CD1 3.83Å; L208-I222 HydrophobicContact CB-CG1 4.3Å; L208-I222 HydrophobicContact CD2-CD1 4.38Å |
| 209 | V | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.5 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | F199 A200 L207 L217 R218 V219 F277 L284 L333 | F199-V209 CarbonylContact C-O 3.54Å; F199-V209 WeakPolarHBondContact CA-O 3.44Å; F199-V209 WeakPolarHBondContact CB-O 3.49Å; A200-V209 PolarHBondContact N-O 2.83Å; A200-V209 PolarHBondContact O-N 2.76Å; L207-V209 HydrophobicContact CD2-CG2 4.42Å; V209-L217 HydrophobicContact CG1-CB 4.08Å; V209-L217 HydrophobicContact CG1-CD1 4.47Å; V209-R218 WeakPolarHBondContact CA-O 3.45Å; V209-V219 HydrophobicContact CG2-CG1 4.5Å; V209-V219 HydrophobicContact CG2-CG2 4.34Å; V209-F277 HydrophobicContact CB-CE2 4.38Å; V209-F277 HydrophobicContact CG2-CE2 3.97Å; V209-F277 HydrophobicContact CG2-CZ 3.75Å; V209-L284 HydrophobicContact CB-CD2 4.22Å; V209-L284 HydrophobicContact CG1-CD2 3.86Å; V209-L284 HydrophobicContact CG2-CD2 4.19Å; V209-L333 HydrophobicContact CG2-CD1 3.53Å |
| 210 | S | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138 | -175.3 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | H192 R218 W220 | H192-S210 PolarHBondContact CE1-OG 2.9Å; S210-R218 PolarHBondContact N-O 3.29Å; S210-R218 PolarHBondContact O-N 3.39Å; S210-R218 WeakPolarHBondContact OG-CB 3.42Å; S210-R218 PolarHBondContact OG-O 2.97Å; S210-W220 PolarHBondContact OG-NE1 2.89Å |
| 211 | G | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W197 D198 | W197-G211 PolarHBondContact N-O 3Å; D198-G211 PolarHBondContact O-N 3.49Å |
| 212 | T | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -115.4 | -168.8 | 177.2 | 61.4 | 0 | 0 | 0 | 0 | 110.4 | H192 V196 D214 R218 V272 | H192-T212 HydrophobicContact CB-CG2 4.02Å; H192-T212 WeakPolarHBondContact ND1-CG2 3.3Å; V196-T212 HydrophobicContact CG2-CG2 4.44Å; T212-D214 PolarHBondContact O-N 3.01Å; T212-D214 PolarHBondContact OG1-N 2.91Å; T212-R218 PolarHBondContact OG1-NH1 3.39Å; T212-V272 PolarHBondContact O-N 2.9Å | ||
| 213 | N | 87.2 | Confident | 86.9 | Confident | 68 Ų | 68 | 41 Ų | 41 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -66.2 | -26.5 | 169.6 | -75.9 | -24.1 | 0 | 0 | 0 | 112.7 | W197 R266 R271 | W197-N213 PolarHBondContact NE1-OD1 2.89Å; N213-R266 PolarHBondContact O-NH2 3.21Å; N213-R271 HydrophobicContact CB-CB 4.42Å; N213-R271 WeakPolarHBondContact OD1-CB 3.46Å |
| 214 | D | 86.9 | Confident | 86.8 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 32% | 0.316 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -71.9 | 166.3 | -174.2 | -54.6 | -16.7 | 0 | 0 | 0 | 113.1 | P193 T212 N216 R218 R266 | P193-D214 WeakPolarHBondContact CG-OD2 3.38Å; T212-D214 PolarHBondContact O-N 3.01Å; T212-D214 PolarHBondContact OG1-N 2.91Å; D214-N216 PolarHBondContact O-N 3.48Å; D214-R218 IonicContact OD2-CZ 3.5Å; D214-R218 IonicContact OD2-NH1 3.38Å; D214-R218 PolarHBondContact OD2-NH1 2.84Å; D214-R218 IonicContact OD2-NH2 3.48Å; D214-R218 PolarHBondContact OD2-NH2 2.93Å; D214-R266 VanDerWaalsContact C-NH2 3.32Å; D214-R266 PolarHBondContact O-NE 3.26Å; D214-R266 PolarHBondContact O-NH2 2.88Å |
| 215 | Q | 87.5 | Confident | 86.7 | Confident | 91 Ų | 91 | 33.3 Ų | 33.3 | 43% | 0.425 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -68.1 | -12 | 171.7 | -63.8 | 178.8 | 11 | 0 | 0 | 113.3 | R266 | Q215-R266 WeakPolarHBondContact O-CD 3.26Å; Q215-R266 WeakPolarHBondContact O-CG 3.42Å; Q215-R266 PolarHBondContact O-N 3.4Å |
| 216 | N | 89.3 | Confident | 85.7 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 24% | 0.235 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 122.1 | -174.9 | -63.2 | -18.1 | 0 | 0 | 0 | 111.2 | D214 C263 | D214-N216 PolarHBondContact O-N 3.48Å; N216-C263 HydrophobicContact CB-CB 4.07Å |
| 217 | L | 89.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.6 | 162.3 | -62.9 | 177.8 | 0 | 0 | 0 | 108.5 | V209 C263 V264 V272 L275 F296 | V209-L217 HydrophobicContact CG1-CB 4.08Å; V209-L217 HydrophobicContact CG1-CD1 4.47Å; L217-C263 CarbonylContact O-C 3.54Å; L217-C263 VanDerWaalsContact O-CA 3.32Å; L217-C263 WeakPolarHBondContact O-CA 3.36Å; L217-V264 HydrophobicContact CB-CB 4.32Å; L217-V264 PolarHBondContact N-O 2.79Å; L217-V264 PolarHBondContact O-N 2.7Å; L217-V272 HydrophobicContact CD2-CG2 3.98Å; L217-L275 HydrophobicContact CD1-CD2 4.45Å; L217-L275 HydrophobicContact CD2-CD1 4.24Å; L217-L275 HydrophobicContact CD2-CD2 4.07Å; L217-F296 HydrophobicContact CD1-CD2 4.43Å; L217-F296 HydrophobicContact CD1-CE1 4.39Å; L217-F296 HydrophobicContact CD1-CE2 3.89Å; L217-F296 HydrophobicContact CD1-CZ 3.87Å |
| 218 | R | 90.3 | Very high | 82.2 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.2 | -179.8 | -77.2 | 171.6 | 179.6 | 79.8 | -1.4 | 109.5 | G191 P193 V209 S210 T212 D214 F260 | G191-R218 PolarHBondContact O-NE 3.39Å; P193-R218 VanDerWaalsContact CD-CZ 3.48Å; V209-R218 WeakPolarHBondContact CA-O 3.45Å; S210-R218 PolarHBondContact N-O 3.29Å; S210-R218 PolarHBondContact O-N 3.39Å; S210-R218 WeakPolarHBondContact OG-CB 3.42Å; S210-R218 PolarHBondContact OG-O 2.97Å; T212-R218 PolarHBondContact OG1-NH1 3.39Å; D214-R218 IonicContact OD2-CZ 3.5Å; D214-R218 IonicContact OD2-NH1 3.38Å; D214-R218 PolarHBondContact OD2-NH1 2.84Å; D214-R218 IonicContact OD2-NH2 3.48Å; D214-R218 PolarHBondContact OD2-NH2 2.93Å; R218-F260 HydrophobicContact CB-CE2 4.02Å; R218-F260 HydrophobicContact CG-CE2 3.98Å; R218-F260 HydrophobicContact CG-CZ 4.38Å |
| 219 | V | 91.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.1 | -174.5 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | L207 V209 S261 G262 V264 A329 L333 | L207-V219 HydrophobicContact CD1-CG1 3.34Å; L207-V219 HydrophobicContact CD2-CG1 4.05Å; L207-V219 HydrophobicContact CG-CG1 3.74Å; V209-V219 HydrophobicContact CG2-CG1 4.5Å; V209-V219 HydrophobicContact CG2-CG2 4.34Å; V219-S261 PolarHBondContact O-N 2.89Å; V219-G262 PolarHBondContact N-O 2.98Å; V219-V264 HydrophobicContact CG2-CG2 3.77Å; V219-A329 HydrophobicContact CB-CB 3.95Å; V219-A329 HydrophobicContact CG2-CB 3.96Å; V219-L333 HydrophobicContact CG1-CD1 4.18Å; V219-L333 HydrophobicContact CG2-CD1 3.65Å |
| 220 | W | 90 | Very high | 77.8 | Confident | 10 Ų | 10 | 52 Ų | 52 | 4% | 0.038 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130 | -177.9 | -50.5 | 88.8 | 0 | 0 | 0 | 108.9 | L189 H192 L207 L208 S210 I258 Q259 F260 | L189-W220 HydrophobicContact CD1-CD2 4.25Å; L189-W220 HydrophobicContact CD1-CE3 4.47Å; L189-W220 HydrophobicContact CD1-CG 4.44Å; L189-W220 HydrophobicContact CD2-CE3 4.11Å; L189-W220 HydrophobicContact CD2-CZ3 4.13Å; H192-W220 AromaticContact CE1-CZ2 3.82Å; H192-W220 AromaticContact CE1-NE1 3.79Å; H192-W220 AromaticContact NE2-CZ2 3.69Å; H192-W220 AromaticContact NE2-NE1 3.92Å; L207-W220 WeakPolarHBondContact CA-O 3.43Å; L208-W220 HydrophobicContact CB-CB 4.1Å; L208-W220 HydrophobicContact CD2-CB 4.31Å; L208-W220 HydrophobicContact CD2-CG 4.39Å; L208-W220 HydrophobicContact CG-CB 4.41Å; L208-W220 PolarHBondContact N-O 2.79Å; L208-W220 PolarHBondContact O-N 2.69Å; S210-W220 PolarHBondContact OG-NE1 2.89Å; W220-I258 HydrophobicContact CB-CG2 4.18Å; W220-I258 HydrophobicContact CE3-CG2 4.27Å; W220-Q259 CarbonylContact C-O 3.5Å; W220-Q259 WeakPolarHBondContact CA-O 3.39Å; W220-F260 AromaticContact CD2-CD2 3.96Å; W220-F260 HydrophobicContact CD2-CD2 3.96Å; W220-F260 HydrophobicContact CE3-CB 3.89Å; W220-F260 AromaticContact CE3-CD2 3.74Å; W220-F260 HydrophobicContact CE3-CD2 3.74Å; W220-F260 HydrophobicContact CE3-CG 4.31Å; W220-F260 AromaticContact CH2-CD2 3.79Å; W220-F260 HydrophobicContact CH2-CD2 3.79Å; W220-F260 HydrophobicContact CH2-CE2 4.44Å; W220-F260 HydrophobicContact CH2-CG 4.48Å; W220-F260 AromaticContact CZ2-CD2 4Å; W220-F260 HydrophobicContact CZ2-CD2 4Å; W220-F260 HydrophobicContact CZ2-CE2 4.34Å; W220-F260 HydrophobicContact CZ3-CB 3.76Å; W220-F260 AromaticContact CZ3-CD2 3.66Å; W220-F260 HydrophobicContact CZ3-CD2 3.66Å; W220-F260 HydrophobicContact CZ3-CG 4.08Å |
| 221 | Q | 87.7 | Confident | 75.2 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 29% | 0.285 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124.5 | 172.6 | -171.4 | 175 | 24.1 | 0 | 0 | 109.7 | E206 I258 Q259 S261 | E206-Q221 CarbonylContact O-C 3.56Å; E206-Q221 WeakPolarHBondContact O-CA 3.28Å; Q221-I258 WeakPolarHBondContact O-CA 3.46Å; Q221-Q259 PolarHBondContact N-O 3.43Å; Q221-Q259 PolarHBondContact O-N 2.94Å; Q221-S261 WeakPolarHBondContact CB-OG 3.37Å |
| 222 | I | 86.7 | Confident | 72.9 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.4 | 179 | -57.9 | 177.7 | 0 | 0 | 0 | 107.6 | I167 F177 L201 E206 L208 Y224 I256 | I167-I222 HydrophobicContact CD1-CD1 4.35Å; F177-I222 HydrophobicContact CE1-CD1 4.12Å; F177-I222 HydrophobicContact CZ-CD1 4.17Å; L201-I222 HydrophobicContact CD2-CD1 3.83Å; E206-I222 PolarHBondContact O-N 3.12Å; L208-I222 HydrophobicContact CB-CD1 3.83Å; L208-I222 HydrophobicContact CB-CG1 4.3Å; L208-I222 HydrophobicContact CD2-CD1 4.38Å; I222-Y224 HydrophobicContact CB-CE2 4.5Å; I222-Y224 HydrophobicContact CG2-CD1 4.44Å; I222-Y224 HydrophobicContact CG2-CD2 4.4Å; I222-Y224 HydrophobicContact CG2-CE1 3.87Å; I222-Y224 HydrophobicContact CG2-CE2 3.82Å; I222-I256 HydrophobicContact CG2-CD1 4.37Å; I222-I256 HydrophobicContact CG2-CG2 3.46Å; I222-I256 VanDerWaalsContact CG2-CG2 3.46Å |
| 223 | K | 82.8 | Confident | 70.3 | Confident | 92 Ų | 92 | 73.1 Ų | 73.1 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.6 | 173.7 | -70.7 | 176.8 | 176.6 | 168.5 | 0 | 108.7 | I256 A257 | K223-I256 WeakPolarHBondContact O-CA 3.41Å; K223-A257 HydrophobicContact CB-CB 4.36Å; K223-A257 PolarHBondContact N-O 3.49Å; K223-A257 PolarHBondContact O-N 3.33Å |
| 224 | Y | 76.7 | Confident | 67.7 | Low | 38 Ų | 38 | 78.5 Ų | 78.5 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.9 | 178.8 | -58.7 | -87.1 | 0 | 0 | 0 | 109.8 | R163 D205 I222 I256 | R163-Y224 VanDerWaalsContact CZ-CD1 3.45Å; R163-Y224 VanDerWaalsContact NH2-CD2 3.25Å; D205-Y224 HydrophobicContact CB-CE2 4.39Å; D205-Y224 WeakPolarHBondContact CB-OH 3.29Å; D205-Y224 WeakPolarHBondContact O-CE2 3.17Å; D205-Y224 PolarHBondContact O-OH 2.81Å; I222-Y224 HydrophobicContact CB-CE2 4.5Å; I222-Y224 HydrophobicContact CG2-CD1 4.44Å; I222-Y224 HydrophobicContact CG2-CD2 4.4Å; I222-Y224 HydrophobicContact CG2-CE1 3.87Å; I222-Y224 HydrophobicContact CG2-CE2 3.82Å; Y224-I256 HydrophobicContact CD1-CD1 4.02Å; Y224-I256 HydrophobicContact CD1-CG1 3.82Å; Y224-I256 HydrophobicContact CE1-CD1 3.7Å; Y224-I256 HydrophobicContact CE1-CG1 4.04Å |
| 225 | V | 69.1 | Low | 65 | Low | 65 Ų | 65 | 82.6 Ų | 82.6 | 39% | 0.394 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 116.2 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | D229 Q255 A257 | V225-D229 HydrophobicContact CG1-CB 4.44Å; V225-Q255 PolarHBondContact N-O 2.69Å; V225-A257 HydrophobicContact CG2-CB 4.45Å |
| 226 | N | 60.2 | Low | 62.4 | Low | 105 Ų | 105 | 86.1 Ų | 86.1 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 142.7 | 169.3 | -67.6 | -16.7 | 0 | 0 | 0 | 108.7 | S228 D229 | N226-S228 PolarHBondContact O-N 2.65Å; N226-D229 PolarHBondContact O-N 2.84Å |
| 227 | E | 51.7 | Low | 59.5 | Low | 176 Ų | 176 | 93.8 Ų | 93.8 | 82% | 0.822 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -17.8 | -179.3 | -69.4 | 178.8 | 163.3 | 0 | 0 | 114.1 | S230 | E227-S230 PolarHBondContact O-OG 3.44Š|
| 228 | S | 44.8 | Very low | 56.8 | Low | 79 Ų | 79 | 99.7 Ų | 99.7 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -26.8 | 175 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | N226 | N226-S228 PolarHBondContact O-N 2.65Š|
| 229 | D | 48.5 | Very low | 54 | Low | 88 Ų | 88 | 104.3 Ų | 104.3 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -83.4 | -19.9 | -174.2 | -93.5 | 11.6 | 0 | 0 | 0 | 113.4 | V225 N226 L231 V232 | V225-D229 HydrophobicContact CG1-CB 4.44Å; N226-D229 PolarHBondContact O-N 2.84Å; D229-L231 PolarHBondContact O-N 3.31Å; D229-V232 PolarHBondContact O-N 2.93Å |
| 230 | S | 40.9 | Very low | 51.1 | Low | 81 Ų | 81 | 109.2 Ų | 109.2 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -67.9 | -18.9 | 179 | 23.3 | 0 | 0 | 0 | 0 | 114.2 | E227 | E227-S230 PolarHBondContact O-OG 3.44Š|
| 231 | L | 38.6 | Very low | 48.2 | Very low | 154 Ų | 154 | 116.5 Ų | 116.5 | 81% | 0.806 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -86.6 | -11.5 | -177.8 | -80.4 | 151.1 | 0 | 0 | 0 | 114.2 | D229 | D229-L231 PolarHBondContact O-N 3.31Š|
| 232 | V | 41.1 | Very low | 45.5 | Very low | 121 Ų | 121 | 119 Ų | 119 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -8.4 | -168.6 | -175.2 | 0 | 0 | 0 | 0 | 113.9 | D229 | D229-V232 PolarHBondContact O-N 2.93Š|
| 233 | K | 35 | Very low | 42.8 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 74% | 0.735 | 68% | 0.68 | S | S | * | * | trans | -115.5 | 61.9 | -173.9 | -67.4 | -178 | -178.7 | 169.2 | 0 | 113.8 | ||||
| 234 | H | 33.2 | Very low | 40.3 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | -108.8 | 0.5 | 168.7 | -104.2 | -60.8 | 0 | 0 | 0 | 115.2 | ||||
| 235 | N | 29.6 | Very low | 38 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | trans | -126.5 | 95.8 | 175 | -74.9 | -18.8 | 0 | 0 | 0 | 109.3 | ||||
| 236 | D | 33.1 | Very low | 36.5 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | 177.5 | 97 | 139.8 | -85.5 | -16.4 | 0 | 0 | 0 | 109.5 | ||||
| 237 | K | 29.6 | Very low | 35.2 | Very low | 206 Ų | 206 | 135.2 Ų | 135.2 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | trans | -96.7 | 108.6 | 165.2 | -75.5 | -179.8 | 177.1 | 178.5 | 0 | 107.6 | ||||
| 238 | T | 31.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | trans | -167 | 129.5 | 156.2 | 29.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 239 | T | 33 | Very low | 33.7 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | 64.5 | 92.7 | 154.6 | 57 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 240 | S | 29.2 | Very low | 33.1 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 66.8 | 102.7 | 76 | 75.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 241 | N | 30.5 | Very low | 32.8 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -151.9 | 115.2 | 141.3 | -94.2 | -9.1 | 0 | 0 | 0 | 107.8 | ||||
| 242 | P | 29.9 | Very low | 32.9 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -101.6 | 82.8 | -177.9 | 35.9 | -24.5 | 0 | 0 | 0 | 109.4 | ||||
| 243 | D | 30.2 | Very low | 33.3 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -162.7 | 68.5 | 170.6 | -88.2 | -33.9 | 0 | 0 | 0 | 108.9 | ||||
| 244 | E | 30.4 | Very low | 34.3 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -176.4 | 105.6 | 156.1 | -104.2 | 168 | -155.7 | 0 | 0 | 108.2 | I246 | E244-I246 PolarHBondContact O-N 3.02Š|
| 245 | A | 28.7 | Very low | 35.8 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | -70 | 91.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 246 | I | 36.9 | Very low | 37.8 | Very low | 90 Ų | 90 | 124 Ų | 124 | 46% | 0.462 | 70% | 0.699 | S | S | . | * | trans | -116.5 | 110.2 | 151 | -56.9 | 173.2 | 0 | 0 | 0 | 104.6 | E244 P248 F260 | E244-I246 PolarHBondContact O-N 3.02Å; I246-P248 VanDerWaalsContact C-CD 3.49Å; I246-P248 WeakPolarHBondContact O-CD 3.28Å; I246-F260 HydrophobicContact CD1-CB 4.01Å | ||
| 247 | T | 33.1 | Very low | 39.9 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | trans | -86.7 | 96 | 163.7 | 44.1 | 0 | 0 | 0 | 0 | 107.6 | L249 | T247-L249 PolarHBondContact O-N 2.98Š| ||
| 248 | P | 33 | Very low | 42.4 | Very low | 93 Ų | 93 | 109.9 Ų | 109.9 | 60% | 0.604 | 64% | 0.638 | S | S | * | * | trans | -69.7 | 112.3 | 159.9 | 30.8 | -29.9 | 0 | 0 | 0 | 105.7 | I246 S250 | I246-P248 VanDerWaalsContact C-CD 3.49Å; I246-P248 WeakPolarHBondContact O-CD 3.28Å; P248-S250 PolarHBondContact O-N 2.8Å; P248-S250 PolarHBondContact O-OG 3.07Å | ||
| 249 | L | 31.1 | Very low | 44.9 | Very low | 163 Ų | 163 | 108.1 Ų | 108.1 | 85% | 0.853 | 62% | 0.622 | S | S | * | * | trans | -61.3 | 87.8 | 155.4 | -84.3 | 153.1 | 0 | 0 | 0 | 105.8 | T247 E251 | T247-L249 PolarHBondContact O-N 2.98Å; L249-E251 PolarHBondContact O-N 2.81Å | ||
| 250 | S | 35.9 | Very low | 47.5 | Very low | 99 Ų | 99 | 106 Ų | 106 | 69% | 0.692 | 60% | 0.602 | S | S | * | * | trans | -82.2 | 72.7 | 179.9 | 39.1 | 0 | 0 | 0 | 0 | 108 | P248 | P248-S250 PolarHBondContact O-N 2.8Å; P248-S250 PolarHBondContact O-OG 3.07Å | ||
| 251 | E | 34.8 | Very low | 50 | Low | 149 Ų | 149 | 102.6 Ų | 102.6 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | trans | -70.2 | 135.5 | 151.5 | -77.2 | -172.8 | 167.4 | 0 | 0 | 108.2 | L249 Q253 S254 | L249-E251 PolarHBondContact O-N 2.81Å; E251-Q253 PolarHBondContact O-N 3.09Å; E251-S254 PolarHBondContact O-N 2.88Å | ||
| 252 | P | 41.4 | Very low | 52.6 | Low | 136 Ų | 136 | 95.6 Ų | 95.6 | 88% | 0.883 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 19.9 | -172.9 | 27.9 | -35 | 0 | 0 | 0 | 115 | ||
| 253 | Q | 50.6 | Low | 55.3 | Low | 172 Ų | 172 | 92.1 Ų | 92.1 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | 5.9 | 179.3 | -68.7 | -173.8 | -10.4 | 0 | 0 | 114.2 | E251 Q255 | E251-Q253 PolarHBondContact O-N 3.09Å; Q253-Q255 PolarHBondContact O-N 3.47Å |
| 254 | S | 55.2 | Low | 58.1 | Low | 54 Ų | 54 | 84.9 Ų | 84.9 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | trans | -66.9 | 111.1 | -179.7 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | E251 I256 | E251-S254 PolarHBondContact O-N 2.88Å; S254-I256 PolarHBondContact O-N 3.22Å | ||
| 255 | Q | 63.6 | Low | 60.7 | Low | 85 Ų | 85 | 82 Ų | 82 | 40% | 0.397 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -63.9 | -10 | 177.1 | -65.8 | 176 | 2.2 | 0 | 0 | 113.5 | V225 Q253 | V225-Q255 PolarHBondContact N-O 2.69Å; Q253-Q255 PolarHBondContact O-N 3.47Å |
| 256 | I | 72.5 | Confident | 63.4 | Low | 8 Ų | 8 | 77.8 Ų | 77.8 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.7 | -172.9 | -56.5 | -172.2 | 0 | 0 | 0 | 110.5 | I165 F177 F186 I222 K223 Y224 S254 I258 | I165-I256 HydrophobicContact CD1-CD1 3.66Å; I165-I256 HydrophobicContact CD1-CG1 4.19Å; I165-I256 HydrophobicContact CG2-CD1 4.38Å; F177-I256 HydrophobicContact CD1-CD1 3.99Å; F177-I256 HydrophobicContact CE1-CD1 4.27Å; F186-I256 HydrophobicContact CE2-CB 4.31Å; F186-I256 HydrophobicContact CE2-CD1 4.27Å; F186-I256 HydrophobicContact CE2-CG1 4.24Å; F186-I256 HydrophobicContact CZ-CD1 3.94Å; F186-I256 HydrophobicContact CZ-CG1 4.29Å; I222-I256 HydrophobicContact CG2-CD1 4.37Å; I222-I256 HydrophobicContact CG2-CG2 3.46Å; I222-I256 VanDerWaalsContact CG2-CG2 3.46Å; K223-I256 WeakPolarHBondContact O-CA 3.41Å; Y224-I256 HydrophobicContact CD1-CD1 4.02Å; Y224-I256 HydrophobicContact CD1-CG1 3.82Å; Y224-I256 HydrophobicContact CE1-CD1 3.7Å; Y224-I256 HydrophobicContact CE1-CG1 4.04Å; S254-I256 PolarHBondContact O-N 3.22Å; I256-I258 HydrophobicContact CG2-CD1 4.33Å; I256-I258 HydrophobicContact CG2-CG1 3.63Å |
| 257 | A | 77.5 | Confident | 65.6 | Low | 41 Ų | 41 | 76 Ų | 76 | 34% | 0.339 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | K223 V225 | K223-A257 HydrophobicContact CB-CB 4.36Å; K223-A257 PolarHBondContact N-O 3.49Å; K223-A257 PolarHBondContact O-N 3.33Å; V225-A257 HydrophobicContact CG2-CB 4.45Å |
| 258 | I | 82.2 | Confident | 67.7 | Low | 33 Ų | 33 | 70.5 Ų | 70.5 | 17% | 0.169 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.2 | -179.1 | -49.3 | 169.7 | 0 | 0 | 0 | 109.1 | F177 L189 W220 Q221 I256 | F177-I258 HydrophobicContact CD2-CD1 3.87Å; F177-I258 HydrophobicContact CE1-CD1 4.16Å; F177-I258 HydrophobicContact CE2-CD1 3.31Å; F177-I258 HydrophobicContact CZ-CD1 3.48Å; F177-I258 VanDerWaalsContact CZ-CD1 3.48Å; F177-I258 HydrophobicContact CZ-CG1 4.46Å; L189-I258 HydrophobicContact CD1-CD1 4.24Å; L189-I258 HydrophobicContact CD1-CG2 4.34Å; L189-I258 HydrophobicContact CD2-CB 4.04Å; L189-I258 HydrophobicContact CD2-CD1 3.67Å; L189-I258 HydrophobicContact CD2-CG1 4.45Å; L189-I258 HydrophobicContact CD2-CG2 3.71Å; L189-I258 HydrophobicContact CG-CD1 4Å; W220-I258 HydrophobicContact CB-CG2 4.18Å; W220-I258 HydrophobicContact CE3-CG2 4.27Å; Q221-I258 WeakPolarHBondContact O-CA 3.46Å; I256-I258 HydrophobicContact CG2-CD1 4.33Å; I256-I258 HydrophobicContact CG2-CG1 3.63Å |
| 259 | Q | 84 | Confident | 70 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 42% | 0.416 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.3 | 178 | -66.1 | -174.7 | -27.9 | 0 | 0 | 109.7 | W220 Q221 S261 | W220-Q259 CarbonylContact C-O 3.5Å; W220-Q259 WeakPolarHBondContact CA-O 3.39Å; Q221-Q259 PolarHBondContact N-O 3.43Å; Q221-Q259 PolarHBondContact O-N 2.94Å; Q259-S261 PolarHBondContact O-N 3.19Å |
| 260 | F | 86.4 | Confident | 72.6 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 117.6 | 172.6 | -179.4 | -113.4 | 0 | 0 | 0 | 109.4 | R218 W220 I246 | R218-F260 HydrophobicContact CB-CE2 4.02Å; R218-F260 HydrophobicContact CG-CE2 3.98Å; R218-F260 HydrophobicContact CG-CZ 4.38Å; W220-F260 AromaticContact CD2-CD2 3.96Å; W220-F260 HydrophobicContact CD2-CD2 3.96Å; W220-F260 HydrophobicContact CE3-CB 3.89Å; W220-F260 AromaticContact CE3-CD2 3.74Å; W220-F260 HydrophobicContact CE3-CD2 3.74Å; W220-F260 HydrophobicContact CE3-CG 4.31Å; W220-F260 AromaticContact CH2-CD2 3.79Å; W220-F260 HydrophobicContact CH2-CD2 3.79Å; W220-F260 HydrophobicContact CH2-CE2 4.44Å; W220-F260 HydrophobicContact CH2-CG 4.48Å; W220-F260 AromaticContact CZ2-CD2 4Å; W220-F260 HydrophobicContact CZ2-CD2 4Å; W220-F260 HydrophobicContact CZ2-CE2 4.34Å; W220-F260 HydrophobicContact CZ3-CB 3.76Å; W220-F260 AromaticContact CZ3-CD2 3.66Å; W220-F260 HydrophobicContact CZ3-CD2 3.66Å; W220-F260 HydrophobicContact CZ3-CG 4.08Å; I246-F260 HydrophobicContact CD1-CB 4.01Å |
| 261 | S | 81.4 | Confident | 75 | Confident | 30 Ų | 30 | 69 Ų | 69 | 21% | 0.21 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -19 | -177.4 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | V219 Q221 Q259 A329 | V219-S261 PolarHBondContact O-N 2.89Å; Q221-S261 WeakPolarHBondContact CB-OG 3.37Å; Q259-S261 PolarHBondContact O-N 3.19Å; S261-A329 PolarHBondContact O-N 2.73Å |
| 262 | G | 86.4 | Confident | 77.6 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.3 | -171 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V219 | V219-G262 PolarHBondContact N-O 2.98Å |
| 263 | C | 86.7 | Confident | 79.7 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 27% | 0.27 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.7 | 179.1 | -69.5 | 0 | 0 | 0 | 0 | 111.2 | N216 L217 E330 | N216-C263 HydrophobicContact CB-CB 4.07Å; L217-C263 CarbonylContact O-C 3.54Å; L217-C263 VanDerWaalsContact O-CA 3.32Å; L217-C263 WeakPolarHBondContact O-CA 3.36Å; C263-E330 VanDerWaalsContact O-CG 3.31Å; C263-E330 WeakPolarHBondContact O-CG 3.34Å |
| 264 | V | 87.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121 | 172.4 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | L217 V219 F296 A329 L333 | L217-V264 HydrophobicContact CB-CB 4.32Å; L217-V264 PolarHBondContact N-O 2.79Å; L217-V264 PolarHBondContact O-N 2.7Å; V219-V264 HydrophobicContact CG2-CG2 3.77Å; V264-F296 HydrophobicContact CG1-CD1 4.06Å; V264-F296 HydrophobicContact CG1-CE1 3.72Å; V264-A329 HydrophobicContact CG2-CB 3.95Å; V264-L333 HydrophobicContact CG2-CB 4.11Å |
| 265 | Q | 86.1 | Confident | 83.2 | Confident | 123 Ų | 123 | 47.1 Ų | 47.1 | 58% | 0.575 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.8 | -179.9 | -63.1 | -170.6 | -20.2 | 0 | 0 | 111.8 | ||
| 266 | R | 85.1 | Confident | 84.4 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.038 | 23% | 0.231 | C | C | . | . | trans | -99.9 | 159 | 172.2 | 80.7 | -152.8 | 170 | 72.7 | 5.1 | 110.8 | N213 D214 Q215 G268 R270 E294 F296 | N213-R266 PolarHBondContact O-NH2 3.21Å; D214-R266 VanDerWaalsContact C-NH2 3.32Å; D214-R266 PolarHBondContact O-NE 3.26Å; D214-R266 PolarHBondContact O-NH2 2.88Å; Q215-R266 WeakPolarHBondContact O-CD 3.26Å; Q215-R266 WeakPolarHBondContact O-CG 3.42Å; Q215-R266 PolarHBondContact O-N 3.4Å; R266-G268 WeakPolarHBondContact CG-O 3.11Å; R266-G268 PolarHBondContact NH1-O 2.81Å; R266-R270 PolarHBondContact NH1-O 2.87Å; R266-R270 PolarHBondContact NH2-O 3Å; R266-E294 WeakPolarHBondContact CB-OE2 2.81Å; R266-F296 HydrophobicContact CB-CZ 4.16Å | ||
| 267 | S | 82.2 | Confident | 85.2 | Confident | 53 Ų | 53 | 45 Ų | 45 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -83.7 | -25.1 | -179.6 | 86.4 | 0 | 0 | 0 | 0 | 113.4 | E294 K338 | S267-E294 WeakPolarHBondContact CA-OE1 3.33Å; S267-E294 VanDerWaalsContact CB-OE1 3.29Å; S267-E294 WeakPolarHBondContact CB-OE1 3.49Å; S267-E294 PolarHBondContact N-OE1 3.4Å; S267-E294 PolarHBondContact N-OE2 3.08Å; S267-E294 VanDerWaalsContact N-OE2 3.12Å; S267-E294 PolarHBondContact OG-OE1 2.94Å; S267-K338 WeakPolarHBondContact OG-CD 3.15Å; S267-K338 WeakPolarHBondContact OG-CE 3.49Å; S267-K338 PolarHBondContact OG-NZ 3.33Å |
| 268 | G | 77.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | -68.4 | 135.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R266 E294 | R266-G268 WeakPolarHBondContact CG-O 3.11Å; R266-G268 PolarHBondContact NH1-O 2.81Å; G268-E294 PolarHBondContact N-OE1 3.41Å | ||
| 269 | V | 81.6 | Confident | 85.4 | Confident | 99 Ų | 99 | 45.2 Ų | 45.2 | 60% | 0.6 | 23% | 0.233 | S | C | * | . | trans | -88.2 | -29.6 | 179 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 270 | R | 85.5 | Confident | 85.2 | Confident | 131 Ų | 131 | 43.8 Ų | 43.8 | 49% | 0.494 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -81.8 | 156.6 | -176 | -59.3 | -170 | -178.9 | -164.1 | -11 | 112.2 | R266 F289 D290 | R266-R270 PolarHBondContact NH1-O 2.87Å; R266-R270 PolarHBondContact NH2-O 3Å; R270-F289 HydrophobicContact CB-CB 4.05Å; R270-D290 WeakPolarHBondContact CD-OD1 3.31Å; R270-D290 WeakPolarHBondContact CG-OD1 3.41Å; R270-D290 IonicContact CZ-OD1 3.79Å; R270-D290 IonicContact NE-OD1 3.62Å; R270-D290 PolarHBondContact NE-OD1 2.94Å; R270-D290 VanDerWaalsContact NE-OD1 3.1Å |
| 271 | R | 87.8 | Confident | 84.9 | Confident | 92 Ų | 92 | 40.2 Ų | 40.2 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | trans | -45.7 | 151.3 | 179.4 | 75.4 | -178.1 | 176.3 | 171.4 | 0.1 | 114.7 | W197 N213 F289 | W197-R271 VanDerWaalsContact CZ2-NH1 3.27Å; N213-R271 HydrophobicContact CB-CB 4.42Å; N213-R271 WeakPolarHBondContact OD1-CB 3.46Å; R271-F289 HydrophobicContact CG-CD2 3.31Å; R271-F289 HydrophobicContact CG-CE2 3.55Å; R271-F289 HydrophobicContact CG-CG 4.31Å; R271-F289 VanDerWaalsContact NE-CZ 3.34Å; R271-F289 PolarHBondContact O-N 2.88Å | ||
| 272 | V | 88.2 | Confident | 85 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.3 | 172.3 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | W197 T212 L217 L275 | W197-V272 WeakPolarHBondContact CB-O 3.31Å; T212-V272 PolarHBondContact O-N 2.9Å; L217-V272 HydrophobicContact CD2-CG2 3.98Å; V272-L275 HydrophobicContact CG1-CD1 4.13Å; V272-L275 HydrophobicContact CG1-CD2 4.09Å; V272-L275 HydrophobicContact CG1-CG 3.71Å |
| 273 | H | 85.5 | Confident | 85.1 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -46 | 176.1 | -171 | -55 | 0 | 0 | 0 | 111.9 | Q287 F289 G346 | H273-Q287 HydrophobicContact CB-CG 4.35Å; H273-Q287 PolarHBondContact N-O 3.18Å; H273-F289 HydrophobicContact CB-CD2 3.95Å; H273-F289 HydrophobicContact CB-CE2 3.69Å; H273-F289 HydrophobicContact CB-CZ 4.34Å; H273-F289 AromaticContact CD2-CE1 3.62Å; H273-F289 AromaticContact CD2-CE2 3.42Å; H273-F289 VanDerWaalsContact CD2-CE2 3.42Å; H273-F289 WeakPolarHBondContact CD2-CE2 3.23Å; H273-F289 AromaticContact CD2-CZ 3.13Å; H273-F289 WeakPolarHBondContact CD2-CZ 3.37Å; H273-F289 AromaticContact CG-CE2 3.84Å; H273-F289 AromaticContact CG-CZ 4Å; H273-F289 AromaticContact NE2-CZ 3.87Å; H273-G346 PolarHBondContact CE1-O 3.01Å; H273-G346 PolarHBondContact ND1-O 2.95Å; H273-G346 PolarHBondContact NE2-O 2.63Å |
| 274 | C | 88 | Confident | 85.3 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 135.3 | -176.4 | -160.4 | 0 | 0 | 0 | 0 | 110.1 | D198 V276 Q287 | D198-C274 VanDerWaalsContact OD2-CA 3.28Å; D198-C274 WeakPolarHBondContact OD2-CA 3.29Å; C274-V276 WeakPolarHBondContact SG-CG2 3.39Å; C274-Q287 HydrophobicContact CB-CB 3.97Å; C274-Q287 PolarHBondContact N-O 2.87Å; C274-Q287 PolarHBondContact O-N 3.33Å |
| 275 | L | 90.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.1 | 170.3 | -70.5 | 172.3 | 0 | 0 | 0 | 108.3 | D198 A200 L217 V272 L284 L285 C286 | D198-L275 HydrophobicContact CB-CB 4.25Å; D198-L275 HydrophobicContact CB-CD1 4.39Å; D198-L275 HydrophobicContact CB-CG 4.32Å; D198-L275 PolarHBondContact OD2-N 2.9Å; A200-L275 HydrophobicContact CB-CB 3.91Å; L217-L275 HydrophobicContact CD1-CD2 4.45Å; L217-L275 HydrophobicContact CD2-CD1 4.24Å; L217-L275 HydrophobicContact CD2-CD2 4.07Å; V272-L275 HydrophobicContact CG1-CD1 4.13Å; V272-L275 HydrophobicContact CG1-CD2 4.09Å; V272-L275 HydrophobicContact CG1-CG 3.71Å; L275-L284 HydrophobicContact CB-CD1 4.4Å; L275-L284 HydrophobicContact CD2-CD1 4.34Å; L275-L285 WeakPolarHBondContact CA-O 3.33Å; L275-C286 HydrophobicContact CD2-CB 3.77Å |
| 276 | V | 89.4 | Confident | 85.6 | Confident | 30 Ų | 30 | 32 Ų | 32 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123.1 | -179.2 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | C274 L285 I350 | C274-V276 WeakPolarHBondContact SG-CG2 3.39Å; V276-L285 HydrophobicContact CB-CB 4.41Å; V276-L285 PolarHBondContact N-O 3.35Å; V276-L285 WeakPolarHBondContact O-CB 3.29Å; V276-L285 PolarHBondContact O-N 3.17Å; V276-I350 HydrophobicContact CB-CG2 4.46Å; V276-I350 HydrophobicContact CG1-CG2 3.99Å |
| 277 | F | 89 | Confident | 85.7 | Confident | 20 Ų | 20 | 31.6 Ų | 31.6 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 144.3 | 165 | -84 | -74.1 | 0 | 0 | 0 | 109.7 | A200 L201 T202 V209 Y283 L284 | A200-F277 HydrophobicContact CB-CD2 3.37Å; A200-F277 HydrophobicContact CB-CE2 3.71Å; A200-F277 HydrophobicContact CB-CG 4.4Å; A200-F277 WeakPolarHBondContact O-CE2 3.29Å; L201-F277 WeakPolarHBondContact O-CD2 3.18Å; T202-F277 HydrophobicContact CG2-CD1 4.11Å; T202-F277 HydrophobicContact CG2-CD2 4.29Å; T202-F277 HydrophobicContact CG2-CE1 3.68Å; T202-F277 HydrophobicContact CG2-CE2 3.91Å; T202-F277 HydrophobicContact CG2-CG 4.41Å; T202-F277 HydrophobicContact CG2-CZ 3.59Å; V209-F277 HydrophobicContact CB-CE2 4.38Å; V209-F277 HydrophobicContact CG2-CE2 3.97Å; V209-F277 HydrophobicContact CG2-CZ 3.75Å; F277-Y283 WeakPolarHBondContact CA-O 3.48Å; F277-L284 HydrophobicContact CD1-CB 3.9Å; F277-L284 HydrophobicContact CD1-CD1 4.22Å; F277-L284 HydrophobicContact CD2-CD1 3.99Å; F277-L284 HydrophobicContact CE1-CB 3.61Å; F277-L284 HydrophobicContact CE1-CD1 4.16Å; F277-L284 HydrophobicContact CE1-CG 4.33Å; F277-L284 HydrophobicContact CE2-CD1 3.89Å; F277-L284 HydrophobicContact CG-CD1 4.14Å; F277-L284 HydrophobicContact CZ-CB 4.08Å; F277-L284 HydrophobicContact CZ-CD1 3.98Å; F277-L284 HydrophobicContact CZ-CD2 4.27Å; F277-L284 HydrophobicContact CZ-CG 4.34Å |
| 278 | D | 85.9 | Confident | 85.8 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | trans | -66.7 | 158.9 | 169 | 80.5 | -71.5 | 0 | 0 | 0 | 111.5 | T280 G281 T282 Y283 I350 P353 | D278-T280 PolarHBondContact O-N 3.06Å; D278-T280 VanDerWaalsContact OD2-CA 3.27Å; D278-T280 WeakPolarHBondContact OD2-CA 3.48Å; D278-T280 WeakPolarHBondContact OD2-CB 3.27Å; D278-T280 PolarHBondContact OD2-N 3.32Å; D278-T280 PolarHBondContact OD2-OG1 3.45Å; D278-G281 PolarHBondContact O-N 3.02Å; D278-G281 VanDerWaalsContact OD1-C 3.31Å; D278-G281 WeakPolarHBondContact OD1-CA 3.27Å; D278-G281 PolarHBondContact OD1-N 3.4Å; D278-G281 VanDerWaalsContact OD1-N 3.11Å; D278-G281 PolarHBondContact OD2-N 2.93Å; D278-T282 PolarHBondContact OD1-N 3.36Å; D278-Y283 PolarHBondContact N-O 3.48Å; D278-Y283 PolarHBondContact OD1-N 3.35Å; D278-Y283 VanDerWaalsContact OD1-O 3.06Å; D278-I350 HydrophobicContact CB-CD1 4.19Å; D278-I350 HydrophobicContact CB-CG1 4.15Å; D278-I350 HydrophobicContact CB-CG2 3.93Å; D278-P353 VanDerWaalsContact OD2-CD 3.31Å; D278-P353 WeakPolarHBondContact OD2-CD 3.36Å | ||
| 279 | P | 79.2 | Confident | 86 | Confident | 74 Ų | 74 | 31.5 Ų | 31.5 | 48% | 0.481 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15 | 179.9 | -24.8 | 34.1 | 0 | 0 | 0 | 115.3 | R203 A352 | R203-P279 WeakPolarHBondContact CD-O 3.39Å; R203-P279 PolarHBondContact NH1-O 3.29Å; P279-A352 HydrophobicContact CB-CB 4.43Å; P279-A352 HydrophobicContact CG-CB 4.42Å |
| 280 | T | 78.1 | Confident | 86.1 | Confident | 59 Ų | 59 | 28.6 Ų | 28.6 | 36% | 0.362 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -16.5 | 172.8 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | D278 T282 A352 P353 | D278-T280 PolarHBondContact O-N 3.06Å; D278-T280 VanDerWaalsContact OD2-CA 3.27Å; D278-T280 WeakPolarHBondContact OD2-CA 3.48Å; D278-T280 WeakPolarHBondContact OD2-CB 3.27Å; D278-T280 PolarHBondContact OD2-N 3.32Å; D278-T280 PolarHBondContact OD2-OG1 3.45Å; T280-T282 WeakPolarHBondContact OG1-CG2 3.26Å; T280-T282 PolarHBondContact OG1-OG1 3.26Å; T280-A352 HydrophobicContact CG2-CB 3.97Å; T280-P353 HydrophobicContact CG2-CG 4.42Å |
| 281 | G | 81.3 | Confident | 86.1 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 7% | 0.072 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 78.4 | 13.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D278 L298 | D278-G281 PolarHBondContact O-N 3.02Å; D278-G281 VanDerWaalsContact OD1-C 3.31Å; D278-G281 WeakPolarHBondContact OD1-CA 3.27Å; D278-G281 PolarHBondContact OD1-N 3.4Å; D278-G281 VanDerWaalsContact OD1-N 3.11Å; D278-G281 PolarHBondContact OD2-N 2.93Å; G281-L298 VanDerWaalsContact O-CD2 3.28Å; G281-L298 WeakPolarHBondContact O-CD2 3.21Å |
| 282 | T | 83.9 | Confident | 86 | Confident | 33 Ų | 33 | 25.7 Ų | 25.7 | 20% | 0.202 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -89.9 | -28.3 | -177.2 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | D278 T280 R297 L298 | D278-T282 PolarHBondContact OD1-N 3.36Å; T280-T282 WeakPolarHBondContact OG1-CG2 3.26Å; T280-T282 PolarHBondContact OG1-OG1 3.26Å; T282-R297 WeakPolarHBondContact O-CA 3.17Å; T282-L298 PolarHBondContact O-N 3.13Å |
| 283 | Y | 88.7 | Confident | 86 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.2 | -178.4 | -64.1 | -77.1 | 0 | 0 | 0 | 110.7 | F277 D278 I295 F296 R297 I336 P353 H364 I366 V384 | F277-Y283 WeakPolarHBondContact CA-O 3.48Å; D278-Y283 PolarHBondContact N-O 3.48Å; D278-Y283 PolarHBondContact OD1-N 3.35Å; D278-Y283 VanDerWaalsContact OD1-O 3.06Å; Y283-I295 HydrophobicContact CD1-CG2 3.96Å; Y283-F296 CarbonylContact C-O 3.55Å; Y283-F296 VanDerWaalsContact CA-O 3.3Å; Y283-F296 WeakPolarHBondContact CA-O 3.3Å; Y283-R297 HydrophobicContact CD1-CB 4.09Å; Y283-R297 HydrophobicContact CE1-CB 4.05Å; Y283-R297 HydrophobicContact CE1-CG 4.21Å; Y283-I336 HydrophobicContact CE1-CD1 4.11Å; Y283-P353 HydrophobicContact CD2-CB 4.23Å; Y283-P353 HydrophobicContact CD2-CG 4.03Å; Y283-P353 HydrophobicContact CE2-CB 3.89Å; Y283-P353 HydrophobicContact CE2-CG 3.94Å; Y283-H364 HydrophobicContact CE2-CB 4.38Å; Y283-H364 WeakPolarHBondContact OH-CB 3.36Å; Y283-H364 PolarHBondContact OH-CD2 2.67Å; Y283-I366 HydrophobicContact CD1-CD1 3.77Å; Y283-I366 HydrophobicContact CD2-CD1 3.75Å; Y283-I366 HydrophobicContact CD2-CG1 4.17Å; Y283-I366 HydrophobicContact CE1-CD1 3.69Å; Y283-I366 HydrophobicContact CE2-CD1 3.69Å; Y283-I366 HydrophobicContact CE2-CG1 4.04Å; Y283-I366 HydrophobicContact CG-CD1 3.8Å; Y283-V384 HydrophobicContact CE1-CG1 4.48Å |
| 284 | L | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.2 | 172.3 | 170.7 | 70.5 | 0 | 0 | 0 | 108.8 | A200 V209 L275 F277 I295 F296 | A200-L284 HydrophobicContact CB-CD1 3.95Å; V209-L284 HydrophobicContact CB-CD2 4.22Å; V209-L284 HydrophobicContact CG1-CD2 3.86Å; V209-L284 HydrophobicContact CG2-CD2 4.19Å; L275-L284 HydrophobicContact CB-CD1 4.4Å; L275-L284 HydrophobicContact CD2-CD1 4.34Å; F277-L284 HydrophobicContact CD1-CB 3.9Å; F277-L284 HydrophobicContact CD1-CD1 4.22Å; F277-L284 HydrophobicContact CD2-CD1 3.99Å; F277-L284 HydrophobicContact CE1-CB 3.61Å; F277-L284 HydrophobicContact CE1-CD1 4.16Å; F277-L284 HydrophobicContact CE1-CG 4.33Å; F277-L284 HydrophobicContact CE2-CD1 3.89Å; F277-L284 HydrophobicContact CG-CD1 4.14Å; F277-L284 HydrophobicContact CZ-CB 4.08Å; F277-L284 HydrophobicContact CZ-CD1 3.98Å; F277-L284 HydrophobicContact CZ-CD2 4.27Å; F277-L284 HydrophobicContact CZ-CG 4.34Å; L284-I295 WeakPolarHBondContact O-CA 3.38Å; L284-F296 HydrophobicContact CB-CB 4.11Å; L284-F296 HydrophobicContact CD2-CB 4.44Å; L284-F296 HydrophobicContact CD2-CD2 4.47Å; L284-F296 PolarHBondContact N-O 3.3Å; L284-F296 PolarHBondContact O-N 3.49Å |
| 285 | L | 90.6 | Very high | 86.2 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126.3 | 172 | -166 | 70.4 | 0 | 0 | 0 | 109.4 | L275 V276 V293 I295 C348 I350 I368 | L275-L285 WeakPolarHBondContact CA-O 3.33Å; V276-L285 HydrophobicContact CB-CB 4.41Å; V276-L285 PolarHBondContact N-O 3.35Å; V276-L285 WeakPolarHBondContact O-CB 3.29Å; V276-L285 PolarHBondContact O-N 3.17Å; L285-V293 HydrophobicContact CD1-CG1 3.28Å; L285-V293 HydrophobicContact CD2-CG1 4.38Å; L285-V293 HydrophobicContact CG-CG1 3.79Å; L285-I295 HydrophobicContact CD1-CG1 3.78Å; L285-C348 HydrophobicContact CD2-CB 3.45Å; L285-C348 VanDerWaalsContact CD2-CB 3.45Å; L285-I350 HydrophobicContact CB-CG2 4.42Å; L285-I350 HydrophobicContact CD2-CB 4.47Å; L285-I368 HydrophobicContact CD1-CD1 3.76Å; L285-I368 HydrophobicContact CD1-CG2 4.4Å; L285-I368 HydrophobicContact CD2-CG2 4.03Å |
| 286 | C | 89 | Confident | 86.1 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.6 | 174 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | L275 E294 F296 | L275-C286 HydrophobicContact CD2-CB 3.77Å; C286-E294 HydrophobicContact CB-CB 4.38Å; C286-E294 PolarHBondContact N-O 3.28Å; C286-E294 PolarHBondContact O-N 3.01Å; C286-F296 HydrophobicContact CB-CD2 4.07Å; C286-F296 HydrophobicContact CB-CE2 3.63Å |
| 287 | Q | 86.8 | Confident | 86 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124 | 173 | -174.4 | -167.4 | -13.8 | 0 | 0 | 109.1 | H273 C274 P345 G346 S347 | H273-Q287 HydrophobicContact CB-CG 4.35Å; H273-Q287 PolarHBondContact N-O 3.18Å; C274-Q287 HydrophobicContact CB-CB 3.97Å; C274-Q287 PolarHBondContact N-O 2.87Å; C274-Q287 PolarHBondContact O-N 3.33Å; Q287-P345 HydrophobicContact CG-CB 4.2Å; Q287-P345 HydrophobicContact CG-CG 3.77Å; Q287-P345 PolarHBondContact NE2-O 2.96Å; Q287-G346 PolarHBondContact NE2-O 3.03Å; Q287-S347 VanDerWaalsContact OE1-CA 3.27Å |
| 288 | S | 84.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 168.7 | 167.9 | 61.2 | 0 | 0 | 0 | 0 | 110.1 | D290 | S288-D290 PolarHBondContact O-N 3.39Å |
| 289 | F | 81.7 | Confident | 85.7 | Confident | 49 Ų | 49 | 25.3 Ų | 25.3 | 22% | 0.215 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -70.6 | 8.8 | 173.3 | -86.7 | -93.7 | 0 | 0 | 0 | 114.7 | R270 R271 H273 | R270-F289 HydrophobicContact CB-CB 4.05Å; R271-F289 HydrophobicContact CG-CD2 3.31Å; R271-F289 HydrophobicContact CG-CE2 3.55Å; R271-F289 HydrophobicContact CG-CG 4.31Å; R271-F289 VanDerWaalsContact NE-CZ 3.34Å; R271-F289 PolarHBondContact O-N 2.88Å; H273-F289 HydrophobicContact CB-CD2 3.95Å; H273-F289 HydrophobicContact CB-CE2 3.69Å; H273-F289 HydrophobicContact CB-CZ 4.34Å; H273-F289 AromaticContact CD2-CE1 3.62Å; H273-F289 AromaticContact CD2-CE2 3.42Å; H273-F289 VanDerWaalsContact CD2-CE2 3.42Å; H273-F289 WeakPolarHBondContact CD2-CE2 3.23Å; H273-F289 AromaticContact CD2-CZ 3.13Å; H273-F289 WeakPolarHBondContact CD2-CZ 3.37Å; H273-F289 AromaticContact CG-CE2 3.84Å; H273-F289 AromaticContact CG-CZ 4Å; H273-F289 AromaticContact NE2-CZ 3.87Å |
| 290 | D | 83.5 | Confident | 85.6 | Confident | 39 Ų | 39 | 25.9 Ų | 25.9 | 21% | 0.209 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -85.9 | 173.8 | 172.8 | -66 | -37.6 | 0 | 0 | 0 | 110.8 | R270 S288 S292 P345 | R270-D290 WeakPolarHBondContact CD-OD1 3.31Å; R270-D290 WeakPolarHBondContact CG-OD1 3.41Å; R270-D290 IonicContact CZ-OD1 3.79Å; R270-D290 IonicContact NE-OD1 3.62Å; R270-D290 PolarHBondContact NE-OD1 2.94Å; R270-D290 VanDerWaalsContact NE-OD1 3.1Å; S288-D290 PolarHBondContact O-N 3.39Å; D290-S292 PolarHBondContact O-N 3.21Å; D290-P345 VanDerWaalsContact O-CD 3.31Å; D290-P345 WeakPolarHBondContact O-CD 3.34Å |
| 291 | R | 85.7 | Confident | 85.7 | Confident | 156 Ų | 156 | 29.1 Ų | 29.1 | 59% | 0.589 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -75.3 | 20 | 173.4 | -63.6 | -176.6 | -175.6 | 170.4 | 1.6 | 112.5 | L341 K344 | R291-L341 PolarHBondContact O-N 3.13Å; R291-K344 HydrophobicContact CG-CG 3.75Å |
| 292 | S | 85.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.8 | -172.4 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | D290 K338 I339 N340 | D290-S292 PolarHBondContact O-N 3.21Å; S292-K338 WeakPolarHBondContact OG-CE 3.47Å; S292-I339 CarbonylContact C-O 3.58Å; S292-I339 WeakPolarHBondContact CA-O 3.39Å; S292-N340 WeakPolarHBondContact CB-OD1 3.38Å |
| 293 | V | 88 | Confident | 85.4 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.3 | 174.1 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | L285 I339 L341 P345 | L285-V293 HydrophobicContact CD1-CG1 3.28Å; L285-V293 HydrophobicContact CD2-CG1 4.38Å; L285-V293 HydrophobicContact CG-CG1 3.79Å; V293-I339 PolarHBondContact N-O 3.37Å; V293-I339 PolarHBondContact O-N 3Å; V293-L341 HydrophobicContact CG2-CD1 3.67Å; V293-L341 HydrophobicContact CG2-CG 4.35Å; V293-P345 HydrophobicContact CG2-CG 4.18Å |
| 294 | E | 88.3 | Confident | 85 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 139.7 | -179 | -66.5 | 179.2 | -162.2 | 0 | 0 | 110.4 | R266 S267 G268 C286 F296 L337 K338 | R266-E294 WeakPolarHBondContact CB-OE2 2.81Å; S267-E294 WeakPolarHBondContact CA-OE1 3.33Å; S267-E294 VanDerWaalsContact CB-OE1 3.29Å; S267-E294 WeakPolarHBondContact CB-OE1 3.49Å; S267-E294 PolarHBondContact N-OE1 3.4Å; S267-E294 PolarHBondContact N-OE2 3.08Å; S267-E294 VanDerWaalsContact N-OE2 3.12Å; S267-E294 PolarHBondContact OG-OE1 2.94Å; G268-E294 PolarHBondContact N-OE1 3.41Å; C286-E294 HydrophobicContact CB-CB 4.38Å; C286-E294 PolarHBondContact N-O 3.28Å; C286-E294 PolarHBondContact O-N 3.01Å; E294-F296 HydrophobicContact CB-CE2 3.92Å; E294-L337 WeakPolarHBondContact CA-O 3.5Å; E294-K338 HydrophobicContact CG-CG 4.41Å |
| 295 | I | 90.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123 | 177.8 | -58.6 | 168.7 | 0 | 0 | 0 | 108.7 | Y283 L284 L285 I336 L337 I339 I368 L382 | Y283-I295 HydrophobicContact CD1-CG2 3.96Å; L284-I295 WeakPolarHBondContact O-CA 3.38Å; L285-I295 HydrophobicContact CD1-CG1 3.78Å; I295-I336 PolarHBondContact O-N 2.89Å; I295-L337 HydrophobicContact CB-CB 4.43Å; I295-L337 HydrophobicContact CD1-CB 4.42Å; I295-L337 PolarHBondContact N-O 3.24Å; I295-L337 PolarHBondContact O-N 2.88Å; I295-I339 HydrophobicContact CD1-CD1 3.71Å; I295-I368 HydrophobicContact CD1-CD1 3.56Å; I295-I368 HydrophobicContact CG1-CD1 4.22Å; I295-L382 HydrophobicContact CD1-CD1 3.28Å |
| 296 | F | 88.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 146.6 | 172.3 | -60.3 | -99.8 | 0 | 0 | 0 | 109.2 | L217 V264 R266 Y283 L284 C286 E294 R334 P335 | L217-F296 HydrophobicContact CD1-CD2 4.43Å; L217-F296 HydrophobicContact CD1-CE1 4.39Å; L217-F296 HydrophobicContact CD1-CE2 3.89Å; L217-F296 HydrophobicContact CD1-CZ 3.87Å; V264-F296 HydrophobicContact CG1-CD1 4.06Å; V264-F296 HydrophobicContact CG1-CE1 3.72Å; R266-F296 HydrophobicContact CB-CZ 4.16Å; Y283-F296 CarbonylContact C-O 3.55Å; Y283-F296 VanDerWaalsContact CA-O 3.3Å; Y283-F296 WeakPolarHBondContact CA-O 3.3Å; L284-F296 HydrophobicContact CB-CB 4.11Å; L284-F296 HydrophobicContact CD2-CB 4.44Å; L284-F296 HydrophobicContact CD2-CD2 4.47Å; L284-F296 PolarHBondContact N-O 3.3Å; L284-F296 PolarHBondContact O-N 3.49Å; C286-F296 HydrophobicContact CB-CD2 4.07Å; C286-F296 HydrophobicContact CB-CE2 3.63Å; E294-F296 HydrophobicContact CB-CE2 3.92Å; F296-R334 CarbonylContact C-O 3.58Å; F296-R334 VanDerWaalsContact CA-O 3.25Å; F296-R334 WeakPolarHBondContact CA-O 3.42Å; F296-P335 HydrophobicContact CD1-CB 3.83Å; F296-P335 HydrophobicContact CE1-CB 3.61Å; F296-P335 HydrophobicContact CE1-CG 4.27Å; F296-P335 HydrophobicContact CZ-CB 4.31Å |
| 297 | R | 86.8 | Confident | 83.9 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.2 | 169.8 | 172.9 | 173.3 | -179.5 | -172.8 | 3.4 | 109.5 | T282 Y283 R334 I336 | T282-R297 WeakPolarHBondContact O-CA 3.17Å; Y283-R297 HydrophobicContact CD1-CB 4.09Å; Y283-R297 HydrophobicContact CE1-CB 4.05Å; Y283-R297 HydrophobicContact CE1-CG 4.21Å; R297-R334 PolarHBondContact N-O 3.43Å; R297-R334 PolarHBondContact O-N 3.46Å; R297-I336 HydrophobicContact CB-CD1 3.21Å; R297-I336 HydrophobicContact CB-CG1 3.9Å; R297-I336 HydrophobicContact CG-CD1 4.08Å |
| 298 | L | 86.3 | Confident | 83.7 | Confident | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 130.3 | 163.9 | -172.4 | 65.1 | 0 | 0 | 0 | 108.4 | T202 L207 G281 T282 L333 | T202-L298 HydrophobicContact CG2-CD2 3.81Å; L207-L298 HydrophobicContact CD2-CD1 3.56Å; L207-L298 HydrophobicContact CD2-CD2 4.45Å; G281-L298 VanDerWaalsContact O-CD2 3.28Å; G281-L298 WeakPolarHBondContact O-CD2 3.21Å; T282-L298 PolarHBondContact O-N 3.13Å; L298-L333 HydrophobicContact CB-CD2 3.98Å; L298-L333 HydrophobicContact CD1-CD2 3.78Å; L298-L333 HydrophobicContact CD1-CG 3.99Å; L298-L333 HydrophobicContact CG-CD2 4.49Å |
| 299 | L | 81.9 | Confident | 83.7 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -79 | 138 | 174.2 | -74.4 | -168.3 | 0 | 0 | 0 | 112.4 | A303 K304 R307 D331 E332 | L299-A303 HydrophobicContact CB-CB 4.16Å; L299-A303 HydrophobicContact CD1-CB 4.06Å; L299-A303 HydrophobicContact CD2-CB 3.97Å; L299-A303 HydrophobicContact CG-CB 4.31Å; L299-K304 HydrophobicContact CB-CG 3.97Å; L299-K304 VanDerWaalsContact O-CE 3.32Å; L299-K304 WeakPolarHBondContact O-CE 3.28Å; L299-R307 VanDerWaalsContact CD1-NH1 3.35Å; L299-D331 WeakPolarHBondContact CD1-O 3.47Å; L299-E332 PolarHBondContact N-O 2.95Å |
| 300 | D | 78.5 | Confident | 83.8 | Confident | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 153.2 | 165.4 | -48 | -42.9 | 0 | 0 | 0 | 111.2 | E302 A303 K304 | D300-E302 PolarHBondContact O-N 2.71Å; D300-A303 WeakPolarHBondContact O-CA 3.44Å; D300-A303 WeakPolarHBondContact O-CB 3.35Å; D300-A303 PolarHBondContact O-N 3.11Å; D300-K304 PolarHBondContact O-N 2.96Å |
| 301 | E | 79.3 | Confident | 83.8 | Confident | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.1 | -36.3 | -179.8 | -72.7 | -57.4 | 136.2 | 0 | 0 | 113.2 | A303 K304 A305 | E301-A303 VanDerWaalsContact C-N 3.32Å; E301-A303 PolarHBondContact O-N 2.93Å; E301-K304 PolarHBondContact O-N 3.46Å; E301-K304 WeakPolarHBondContact OE1-CD 3.07Å; E301-K304 WeakPolarHBondContact OE1-CE 3.24Å; E301-K304 IonicContact OE1-NZ 3.97Å; E301-K304 PolarHBondContact OE1-NZ 3.45Å; E301-A305 WeakPolarHBondContact O-CB 3.43Å; E301-A305 PolarHBondContact O-N 3.04Å |
| 302 | E | 80.1 | Confident | 83.6 | Confident | 141 Ų | 141 | 57 Ų | 57 | 66% | 0.659 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.2 | -38.5 | 174.2 | -66.6 | -168 | -176.3 | 0 | 0 | 112.9 | D300 K306 | D300-E302 PolarHBondContact O-N 2.71Å; E302-K306 WeakPolarHBondContact O-CB 3.28Å; E302-K306 WeakPolarHBondContact O-CD 3.35Å; E302-K306 VanDerWaalsContact O-CG 3.27Å; E302-K306 WeakPolarHBondContact O-CG 3.41Å; E302-K306 PolarHBondContact O-N 3.5Å; E302-K306 IonicContact OE2-NZ 3.06Å |
| 303 | A | 78.6 | Confident | 83.6 | Confident | 27 Ų | 27 | 64 Ų | 64 | 22% | 0.223 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.3 | -37.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L299 D300 E301 K306 R307 | L299-A303 HydrophobicContact CB-CB 4.16Å; L299-A303 HydrophobicContact CD1-CB 4.06Å; L299-A303 HydrophobicContact CD2-CB 3.97Å; L299-A303 HydrophobicContact CG-CB 4.31Å; D300-A303 WeakPolarHBondContact O-CA 3.44Å; D300-A303 WeakPolarHBondContact O-CB 3.35Å; D300-A303 PolarHBondContact O-N 3.11Å; E301-A303 VanDerWaalsContact C-N 3.32Å; E301-A303 PolarHBondContact O-N 2.93Å; A303-K306 PolarHBondContact O-N 2.95Å; A303-R307 WeakPolarHBondContact O-CG 3.37Å; A303-R307 PolarHBondContact O-N 2.7Å |
| 304 | K | 79.6 | Confident | 83.4 | Confident | 26 Ų | 26 | 71 Ų | 71 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58 | -49.6 | 169.9 | -65.3 | -173.2 | -171.4 | 179.9 | 0 | 110.9 | L299 D300 E301 K306 R307 L308 L327 E332 | L299-K304 HydrophobicContact CB-CG 3.97Å; L299-K304 VanDerWaalsContact O-CE 3.32Å; L299-K304 WeakPolarHBondContact O-CE 3.28Å; D300-K304 PolarHBondContact O-N 2.96Å; E301-K304 PolarHBondContact O-N 3.46Å; E301-K304 WeakPolarHBondContact OE1-CD 3.07Å; E301-K304 WeakPolarHBondContact OE1-CE 3.24Å; E301-K304 IonicContact OE1-NZ 3.97Å; E301-K304 PolarHBondContact OE1-NZ 3.45Å; K304-K306 PolarHBondContact O-N 3.41Å; K304-R307 PolarHBondContact O-N 2.99Å; K304-R307 VanDerWaalsContact O-N 3.08Å; K304-L308 PolarHBondContact O-N 3.49Å; K304-L327 HydrophobicContact CB-CD1 3.92Å; K304-L327 HydrophobicContact CG-CD1 4.49Å; K304-E332 WeakPolarHBondContact CE-OE1 3.45Å; K304-E332 IonicContact NZ-OE1 3.94Å; K304-E332 PolarHBondContact NZ-OE1 3.32Å |
| 305 | A | 83.7 | Confident | 83 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E301 R307 L308 R309 | E301-A305 WeakPolarHBondContact O-CB 3.43Å; E301-A305 PolarHBondContact O-N 3.04Å; A305-R307 VanDerWaalsContact C-N 3.25Å; A305-R307 PolarHBondContact O-N 3.47Å; A305-L308 PolarHBondContact O-N 3.44Å; A305-R309 WeakPolarHBondContact O-CB 3.35Å; A305-R309 VanDerWaalsContact O-CG 3.31Å; A305-R309 WeakPolarHBondContact O-CG 3.34Å; A305-R309 PolarHBondContact O-N 3.04Å |
| 306 | K | 83.6 | Confident | 82.6 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 54% | 0.535 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -35.7 | 174.5 | -78.1 | 165.3 | -179.8 | 155.9 | 0 | 111.7 | E302 A303 K304 K310 | E302-K306 WeakPolarHBondContact O-CB 3.28Å; E302-K306 WeakPolarHBondContact O-CD 3.35Å; E302-K306 VanDerWaalsContact O-CG 3.27Å; E302-K306 WeakPolarHBondContact O-CG 3.41Å; E302-K306 PolarHBondContact O-N 3.5Å; E302-K306 IonicContact OE2-NZ 3.06Å; A303-K306 PolarHBondContact O-N 2.95Å; K304-K306 PolarHBondContact O-N 3.41Å; K306-K310 WeakPolarHBondContact O-CG 3.44Å; K306-K310 PolarHBondContact O-N 3.49Å |
| 307 | R | 79.7 | Confident | 82.4 | Confident | 39 Ų | 39 | 82.3 Ų | 82.3 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -76.8 | -42.3 | 176.8 | -76.5 | -165.3 | -171.1 | 162.9 | 17.9 | 113.4 | L299 A303 K304 A305 R309 K310 K311 L327 D331 R334 | L299-R307 VanDerWaalsContact CD1-NH1 3.35Å; A303-R307 WeakPolarHBondContact O-CG 3.37Å; A303-R307 PolarHBondContact O-N 2.7Å; K304-R307 PolarHBondContact O-N 2.99Å; K304-R307 VanDerWaalsContact O-N 3.08Å; A305-R307 VanDerWaalsContact C-N 3.25Å; A305-R307 PolarHBondContact O-N 3.47Å; R307-R309 PolarHBondContact O-N 2.84Å; R307-K310 CarbonylContact O-C 3.53Å; R307-K310 WeakPolarHBondContact O-CA 3.04Å; R307-K310 WeakPolarHBondContact O-CB 3.4Å; R307-K310 PolarHBondContact O-N 3.48Å; R307-K311 PolarHBondContact O-N 3.46Å; R307-L327 HydrophobicContact CB-CD2 4.49Å; R307-D331 PolarHBondContact NH1-O 2.8Å; R307-D331 IonicContact NH1-OD1 3.78Å; R307-D331 PolarHBondContact NH1-OD1 2.93Å; R307-R334 VanDerWaalsContact NH2-NE 3.1Å |
| 308 | L | 82.3 | Confident | 82.1 | Confident | 67 Ų | 67 | 88.2 Ų | 88.2 | 35% | 0.351 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -53.6 | -44.8 | 172 | -171.8 | 76.9 | 0 | 0 | 0 | 109.9 | K304 A305 K310 K311 T312 V325 L327 | K304-L308 PolarHBondContact O-N 3.49Å; A305-L308 PolarHBondContact O-N 3.44Å; L308-K310 VanDerWaalsContact C-N 3.31Å; L308-K310 PolarHBondContact O-N 2.87Å; L308-K311 PolarHBondContact O-N 2.82Å; L308-T312 WeakPolarHBondContact O-CB 3.25Å; L308-T312 VanDerWaalsContact O-CG2 3.27Å; L308-T312 WeakPolarHBondContact O-CG2 3.49Å; L308-T312 PolarHBondContact O-N 2.8Å; L308-T312 PolarHBondContact O-OG1 2.84Å; L308-V325 HydrophobicContact CD1-CG1 4.38Å; L308-L327 HydrophobicContact CB-CD2 4.45Å; L308-L327 HydrophobicContact CD1-CD2 4.36Å; L308-L327 HydrophobicContact CD1-CG 3.99Å |
| 309 | R | 84.6 | Confident | 81.4 | Confident | 176 Ų | 176 | 90.2 Ų | 90.2 | 66% | 0.664 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.1 | -34.5 | 173.1 | -73.5 | 177 | -179.1 | -169.7 | 1.8 | 113.8 | A305 R307 T312 K313 | A305-R309 WeakPolarHBondContact O-CB 3.35Å; A305-R309 VanDerWaalsContact O-CG 3.31Å; A305-R309 WeakPolarHBondContact O-CG 3.34Å; A305-R309 PolarHBondContact O-N 3.04Å; R307-R309 PolarHBondContact O-N 2.84Å; R309-T312 VanDerWaalsContact C-OG1 3.31Å; R309-T312 VanDerWaalsContact CA-OG1 3.26Å; R309-T312 WeakPolarHBondContact CA-OG1 3.32Å; R309-T312 PolarHBondContact O-OG1 2.77Å; R309-K313 WeakPolarHBondContact O-CB 3.43Å; R309-K313 WeakPolarHBondContact O-CG 3.45Å; R309-K313 PolarHBondContact O-N 3.27Å; R309-K313 VanDerWaalsContact O-N 3.15Å |
| 310 | K | 84.1 | Confident | 81 | Confident | 147 Ų | 147 | 94.4 Ų | 94.4 | 64% | 0.639 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -76.6 | -42.5 | 176.7 | -74.1 | 178.4 | -179.5 | -176.1 | 0 | 112.1 | K306 R307 L308 K313 K314 | K306-K310 WeakPolarHBondContact O-CG 3.44Å; K306-K310 PolarHBondContact O-N 3.49Å; R307-K310 CarbonylContact O-C 3.53Å; R307-K310 WeakPolarHBondContact O-CA 3.04Å; R307-K310 WeakPolarHBondContact O-CB 3.4Å; R307-K310 PolarHBondContact O-N 3.48Å; L308-K310 VanDerWaalsContact C-N 3.31Å; L308-K310 PolarHBondContact O-N 2.87Å; K310-K313 PolarHBondContact O-N 3.28Å; K310-K314 WeakPolarHBondContact O-CG 3.38Å; K310-K314 PolarHBondContact O-N 2.86Å |
| 311 | K | 82.9 | Confident | 80.7 | Confident | 53 Ų | 53 | 96.2 Ų | 96.2 | 23% | 0.23 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 175.8 | -90.4 | -173.8 | 155.9 | -179.9 | 0 | 110.3 | R307 L308 K313 K314 T315 V325 L327 E328 D331 | R307-K311 PolarHBondContact O-N 3.46Å; L308-K311 PolarHBondContact O-N 2.82Å; K311-K313 VanDerWaalsContact C-N 3.35Å; K311-K313 PolarHBondContact O-N 2.89Å; K311-K314 WeakPolarHBondContact O-CB 3.42Å; K311-K314 PolarHBondContact O-N 3.38Å; K311-T315 PolarHBondContact O-N 3.35Å; K311-T315 PolarHBondContact O-OG1 3.48Å; K311-V325 HydrophobicContact CB-CG1 3.87Å; K311-L327 HydrophobicContact CD-CD2 4.42Å; K311-E328 IonicContact NZ-OE2 3.87Å; K311-E328 PolarHBondContact NZ-OE2 2.88Å; K311-D331 WeakPolarHBondContact CD-OD2 2.96Å; K311-D331 WeakPolarHBondContact CE-OD2 3.4Å; K311-D331 IonicContact NZ-OD2 2.73Å; K311-D331 PolarHBondContact NZ-OD2 3.22Å |
| 312 | T | 83.1 | Confident | 80.1 | Confident | 37 Ų | 37 | 94.4 Ų | 94.4 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 174.6 | 51 | 0 | 0 | 0 | 0 | 112.7 | L308 R309 K314 T315 K316 V325 | L308-T312 WeakPolarHBondContact O-CB 3.25Å; L308-T312 VanDerWaalsContact O-CG2 3.27Å; L308-T312 WeakPolarHBondContact O-CG2 3.49Å; L308-T312 PolarHBondContact O-N 2.8Å; L308-T312 PolarHBondContact O-OG1 2.84Å; R309-T312 VanDerWaalsContact C-OG1 3.31Å; R309-T312 VanDerWaalsContact CA-OG1 3.26Å; R309-T312 WeakPolarHBondContact CA-OG1 3.32Å; R309-T312 PolarHBondContact O-OG1 2.77Å; T312-K314 PolarHBondContact O-N 3.43Å; T312-T315 WeakPolarHBondContact CA-OG1 3.44Å; T312-T315 PolarHBondContact O-N 3.37Å; T312-T315 PolarHBondContact O-OG1 3.48Å; T312-K316 WeakPolarHBondContact O-CB 3.45Å; T312-K316 VanDerWaalsContact O-CG 3.24Å; T312-K316 WeakPolarHBondContact O-CG 3.48Å; T312-K316 PolarHBondContact O-N 3.45Å; T312-V325 HydrophobicContact CG2-CB 4.07Å; T312-V325 HydrophobicContact CG2-CG1 3.78Å; T312-V325 HydrophobicContact CG2-CG2 4.32Å |
| 313 | K | 85.2 | Confident | 79.4 | Confident | 152 Ų | 152 | 92.9 Ų | 92.9 | 66% | 0.661 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | 173.9 | -78.6 | 178.1 | -179.7 | -167.1 | 0 | 112.9 | R309 K310 K311 A317 | R309-K313 WeakPolarHBondContact O-CB 3.43Å; R309-K313 WeakPolarHBondContact O-CG 3.45Å; R309-K313 PolarHBondContact O-N 3.27Å; R309-K313 VanDerWaalsContact O-N 3.15Å; K310-K313 PolarHBondContact O-N 3.28Å; K311-K313 VanDerWaalsContact C-N 3.35Å; K311-K313 PolarHBondContact O-N 2.89Å; K313-A317 WeakPolarHBondContact O-CB 3.4Å; K313-A317 PolarHBondContact O-N 2.8Å |
| 314 | K | 84 | Confident | 78.8 | Confident | 150 Ų | 150 | 95.3 Ų | 95.3 | 65% | 0.652 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.7 | -38.7 | 177 | -75.6 | -178.4 | 176.9 | -171.1 | 0 | 112.5 | K310 K311 T312 A317 K318 | K310-K314 WeakPolarHBondContact O-CG 3.38Å; K310-K314 PolarHBondContact O-N 2.86Å; K311-K314 WeakPolarHBondContact O-CB 3.42Å; K311-K314 PolarHBondContact O-N 3.38Å; T312-K314 PolarHBondContact O-N 3.43Å; K314-A317 PolarHBondContact O-N 3.21Å; K314-K318 WeakPolarHBondContact O-CG 3.29Å; K314-K318 PolarHBondContact O-N 2.97Å; K314-K318 VanDerWaalsContact O-N 3.11Å |
| 315 | T | 80.6 | Confident | 78 | Confident | 28 Ų | 28 | 95.1 Ų | 95.1 | 17% | 0.172 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -70.4 | -39.5 | 175.4 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | K311 T312 A317 K318 G319 L320 V325 | K311-T315 PolarHBondContact O-N 3.35Å; K311-T315 PolarHBondContact O-OG1 3.48Å; T312-T315 WeakPolarHBondContact CA-OG1 3.44Å; T312-T315 PolarHBondContact O-N 3.37Å; T312-T315 PolarHBondContact O-OG1 3.48Å; T315-A317 VanDerWaalsContact C-N 3.3Å; T315-A317 PolarHBondContact O-N 3.09Å; T315-K318 CarbonylContact O-C 3.49Å; T315-K318 PolarHBondContact O-N 3.45Å; T315-G319 PolarHBondContact O-N 2.77Å; T315-G319 VanDerWaalsContact O-N 3.07Å; T315-L320 PolarHBondContact O-N 3.32Å; T315-V325 HydrophobicContact CG2-CG2 3.8Å; T315-V325 WeakPolarHBondContact OG1-CG2 3.25Å |
| 316 | K | 81.5 | Confident | 77.4 | Confident | 133 Ų | 133 | 99.3 Ų | 99.3 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -53.5 | -46.9 | 167.7 | -76.4 | -174.4 | -176.3 | -161.8 | 0 | 111.8 | T312 K318 G319 L322 | T312-K316 WeakPolarHBondContact O-CB 3.45Å; T312-K316 VanDerWaalsContact O-CG 3.24Å; T312-K316 WeakPolarHBondContact O-CG 3.48Å; T312-K316 PolarHBondContact O-N 3.45Å; K316-K318 PolarHBondContact O-N 3.48Å; K316-G319 PolarHBondContact O-N 2.98Å; K316-L322 HydrophobicContact CD-CD2 4.1Å; K316-L322 HydrophobicContact CG-CD1 4.46Å; K316-L322 HydrophobicContact CG-CD2 3.37Å; K316-L322 HydrophobicContact CG-CG 4.41Å |
| 317 | A | 84.1 | Confident | 76.7 | Confident | 89 Ų | 89 | 95.1 Ų | 95.1 | 74% | 0.736 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.1 | -23.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | K313 K314 T315 | K313-A317 WeakPolarHBondContact O-CB 3.4Å; K313-A317 PolarHBondContact O-N 2.8Å; K314-A317 PolarHBondContact O-N 3.21Å; T315-A317 VanDerWaalsContact C-N 3.3Å; T315-A317 PolarHBondContact O-N 3.09Å |
| 318 | K | 80.2 | Confident | 76.6 | Confident | 164 Ų | 164 | 98.8 Ų | 98.8 | 71% | 0.713 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0.3 | 175.6 | -71.6 | -177.2 | 175.9 | -169.2 | 0 | 113.7 | K314 T315 K316 L320 | K314-K318 WeakPolarHBondContact O-CG 3.29Å; K314-K318 PolarHBondContact O-N 2.97Å; K314-K318 VanDerWaalsContact O-N 3.11Å; T315-K318 CarbonylContact O-C 3.49Å; T315-K318 PolarHBondContact O-N 3.45Å; K316-K318 PolarHBondContact O-N 3.48Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 HydrophobicContact CB-CD1 3.84Å; K318-L320 HydrophobicContact CD-CD1 4.29Å; K318-L320 PolarHBondContact O-N 2.79Å |
| 319 | G | 71.5 | Confident | 76.2 | Confident | 71 Ų | 71 | 95.7 Ų | 95.7 | 73% | 0.732 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 23.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T315 K316 | T315-G319 PolarHBondContact O-N 2.77Å; T315-G319 VanDerWaalsContact O-N 3.07Å; K316-G319 PolarHBondContact O-N 2.98Å |
| 320 | L | 73.8 | Confident | 75.8 | Confident | 103 Ų | 103 | 91.6 Ų | 91.6 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | trans | -95.2 | 152.4 | 179.5 | -75.4 | 148.2 | 0 | 0 | 0 | 111.8 | T315 K318 L322 | T315-L320 PolarHBondContact O-N 3.32Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 HydrophobicContact CB-CD1 3.84Å; K318-L320 HydrophobicContact CD-CD1 4.29Å; K318-L320 PolarHBondContact O-N 2.79Å; L320-L322 PolarHBondContact O-N 3.25Å | ||
| 321 | D | 71.9 | Confident | 75.2 | Confident | 123 Ų | 123 | 85.5 Ų | 85.5 | 66% | 0.658 | 46% | 0.464 | S | S | * | . | trans | -59.2 | 132 | -179.5 | -73.2 | -28.4 | 0 | 0 | 0 | 113 | S323 S324 | D321-S323 VanDerWaalsContact C-N 3.28Å; D321-S323 PolarHBondContact O-N 2.92Å; D321-S324 PolarHBondContact O-N 2.75Å; D321-S324 PolarHBondContact O-OG 3.14Å | ||
| 322 | L | 66.6 | Low | 75.1 | Confident | 88 Ų | 88 | 84 Ų | 84 | 46% | 0.461 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -71.6 | -22.5 | -174.4 | -65.1 | 168.5 | 0 | 0 | 0 | 113.8 | K316 L320 S324 V325 | K316-L322 HydrophobicContact CD-CD2 4.1Å; K316-L322 HydrophobicContact CG-CD1 4.46Å; K316-L322 HydrophobicContact CG-CD2 3.37Å; K316-L322 HydrophobicContact CG-CG 4.41Å; L320-L322 PolarHBondContact O-N 3.25Å; L322-S324 PolarHBondContact O-N 2.87Å; L322-V325 PolarHBondContact O-N 3.16Å |
| 323 | S | 65.7 | Low | 75.1 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -66.7 | -21.3 | 178.1 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | D321 V325 | D321-S323 VanDerWaalsContact C-N 3.28Å; D321-S323 PolarHBondContact O-N 2.92Å; S323-V325 VanDerWaalsContact C-N 3.3Å; S323-V325 PolarHBondContact O-N 2.95Å |
| 324 | S | 65.4 | Low | 74.9 | Confident | 78 Ų | 78 | 79.9 Ų | 79.9 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -79.2 | -6.7 | -179.9 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | D321 L322 I326 | D321-S324 PolarHBondContact O-N 2.75Å; D321-S324 PolarHBondContact O-OG 3.14Å; L322-S324 PolarHBondContact O-N 2.87Å; S324-I326 PolarHBondContact O-N 3.23Å; S324-I326 VanDerWaalsContact O-N 3.12Å |
| 325 | V | 64.5 | Low | 74.8 | Confident | 23 Ų | 23 | 75.3 Ų | 75.3 | 14% | 0.139 | 42% | 0.42 | C | S | . | . | trans | -87.6 | 88.8 | -170.5 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | L308 K311 T312 T315 L322 S323 | L308-V325 HydrophobicContact CD1-CG1 4.38Å; K311-V325 HydrophobicContact CB-CG1 3.87Å; T312-V325 HydrophobicContact CG2-CB 4.07Å; T312-V325 HydrophobicContact CG2-CG1 3.78Å; T312-V325 HydrophobicContact CG2-CG2 4.32Å; T315-V325 HydrophobicContact CG2-CG2 3.8Å; T315-V325 WeakPolarHBondContact OG1-CG2 3.25Å; L322-V325 PolarHBondContact O-N 3.16Å; S323-V325 VanDerWaalsContact C-N 3.3Å; S323-V325 PolarHBondContact O-N 2.95Å | ||
| 326 | I | 70.2 | Confident | 74.9 | Confident | 132 Ų | 132 | 74.8 Ų | 74.8 | 68% | 0.677 | 42% | 0.416 | S | S | * | . | trans | -104.2 | 146.7 | 170.6 | -57.2 | 173.3 | 0 | 0 | 0 | 109.2 | S324 E328 | S324-I326 PolarHBondContact O-N 3.23Å; S324-I326 VanDerWaalsContact O-N 3.12Å; I326-E328 PolarHBondContact O-N 3.08Å | ||
| 327 | L | 69.3 | Low | 74.9 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | trans | -74.3 | 121.3 | 170.1 | -72.9 | 175.4 | 0 | 0 | 0 | 108.7 | K304 R307 L308 K311 D331 | K304-L327 HydrophobicContact CB-CD1 3.92Å; K304-L327 HydrophobicContact CG-CD1 4.49Å; R307-L327 HydrophobicContact CB-CD2 4.49Å; L308-L327 HydrophobicContact CB-CD2 4.45Å; L308-L327 HydrophobicContact CD1-CD2 4.36Å; L308-L327 HydrophobicContact CD1-CG 3.99Å; K311-L327 HydrophobicContact CD-CD2 4.42Å; L327-D331 HydrophobicContact CD2-CB 4.24Å | ||
| 328 | E | 76.7 | Confident | 74.9 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | trans | -76.5 | 154.5 | 172.4 | -65.7 | 152 | 148.7 | 0 | 0 | 109.9 | K311 I326 E330 D331 E332 | K311-E328 IonicContact NZ-OE2 3.87Å; K311-E328 PolarHBondContact NZ-OE2 2.88Å; I326-E328 PolarHBondContact O-N 3.08Å; E328-E330 PolarHBondContact O-N 2.76Å; E328-E330 VanDerWaalsContact O-N 3.12Å; E328-D331 WeakPolarHBondContact O-CB 3.31Å; E328-D331 PolarHBondContact O-N 2.73Å; E328-E332 PolarHBondContact O-N 3.2Å | ||
| 329 | A | 74.9 | Confident | 75.1 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -52.2 | -33.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V219 S261 V264 D331 E332 L333 | V219-A329 HydrophobicContact CB-CB 3.95Å; V219-A329 HydrophobicContact CG2-CB 3.96Å; S261-A329 PolarHBondContact O-N 2.73Å; V264-A329 HydrophobicContact CG2-CB 3.95Å; A329-D331 PolarHBondContact O-N 2.75Å; A329-E332 PolarHBondContact O-N 2.56Å; A329-E332 VanDerWaalsContact O-N 3.08Å; A329-L333 PolarHBondContact O-N 2.79Å |
| 330 | E | 76.2 | Confident | 75.7 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 43% | 0.425 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -25.7 | 175.8 | -61.1 | -168.7 | 162.3 | 0 | 0 | 113.4 | C263 E328 | C263-E330 VanDerWaalsContact O-CG 3.31Å; C263-E330 WeakPolarHBondContact O-CG 3.34Å; E328-E330 PolarHBondContact O-N 2.76Å; E328-E330 VanDerWaalsContact O-N 3.12Å |
| 331 | D | 72 | Confident | 76.1 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -80 | -34.8 | 173 | -92.3 | -41 | 0 | 0 | 0 | 111.9 | L299 R307 K311 L327 E328 A329 R334 | L299-D331 WeakPolarHBondContact CD1-O 3.47Å; R307-D331 PolarHBondContact NH1-O 2.8Å; R307-D331 IonicContact NH1-OD1 3.78Å; R307-D331 PolarHBondContact NH1-OD1 2.93Å; K311-D331 WeakPolarHBondContact CD-OD2 2.96Å; K311-D331 WeakPolarHBondContact CE-OD2 3.4Å; K311-D331 IonicContact NZ-OD2 2.73Å; K311-D331 PolarHBondContact NZ-OD2 3.22Å; L327-D331 HydrophobicContact CD2-CB 4.24Å; E328-D331 WeakPolarHBondContact O-CB 3.31Å; E328-D331 PolarHBondContact O-N 2.73Å; A329-D331 PolarHBondContact O-N 2.75Å; D331-R334 IonicContact OD1-CZ 2.96Å; D331-R334 IonicContact OD1-NE 3.24Å; D331-R334 IonicContact OD1-NH2 3.68Å; D331-R334 PolarHBondContact OD1-NH2 3.05Å |
| 332 | E | 79.7 | Confident | 76.6 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.4 | -43.9 | 179 | -60 | -158 | 128.2 | 0 | 0 | 112.2 | L299 K304 E328 A329 | L299-E332 PolarHBondContact N-O 2.95Å; K304-E332 WeakPolarHBondContact CE-OE1 3.45Å; K304-E332 IonicContact NZ-OE1 3.94Å; K304-E332 PolarHBondContact NZ-OE1 3.32Å; E328-E332 PolarHBondContact O-N 3.2Å; A329-E332 PolarHBondContact O-N 2.56Å; A329-E332 VanDerWaalsContact O-N 3.08Å |
| 333 | L | 83 | Confident | 77.4 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 102.1 | -180 | -77.4 | 167.1 | 0 | 0 | 0 | 110.5 | L207 V209 V219 V264 L298 A329 | L207-L333 HydrophobicContact CD2-CD1 3.95Å; L207-L333 HydrophobicContact CD2-CG 4.28Å; V209-L333 HydrophobicContact CG2-CD1 3.53Å; V219-L333 HydrophobicContact CG1-CD1 4.18Å; V219-L333 HydrophobicContact CG2-CD1 3.65Å; V264-L333 HydrophobicContact CG2-CB 4.11Å; L298-L333 HydrophobicContact CB-CD2 3.98Å; L298-L333 HydrophobicContact CD1-CD2 3.78Å; L298-L333 HydrophobicContact CD1-CG 3.99Å; L298-L333 HydrophobicContact CG-CD2 4.49Å; A329-L333 PolarHBondContact O-N 2.79Å |
| 334 | R | 81.8 | Confident | 78.3 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 38% | 0.377 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.3 | 179.8 | -76.6 | -150.2 | 173.4 | 154.4 | 7 | 112.9 | F296 R297 R307 D331 I336 | F296-R334 CarbonylContact C-O 3.58Å; F296-R334 VanDerWaalsContact CA-O 3.25Å; F296-R334 WeakPolarHBondContact CA-O 3.42Å; R297-R334 PolarHBondContact N-O 3.43Å; R297-R334 PolarHBondContact O-N 3.46Å; R307-R334 VanDerWaalsContact NH2-NE 3.1Å; D331-R334 IonicContact OD1-CZ 2.96Å; D331-R334 IonicContact OD1-NE 3.24Å; D331-R334 IonicContact OD1-NH2 3.68Å; D331-R334 PolarHBondContact OD1-NH2 3.05Å; R334-I336 PolarHBondContact O-N 2.93Å |
| 335 | P | 81.7 | Confident | 79.3 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 128.3 | 170 | 29.8 | -33.3 | 0 | 0 | 0 | 109.8 | F296 L391 | F296-P335 HydrophobicContact CD1-CB 3.83Å; F296-P335 HydrophobicContact CE1-CB 3.61Å; F296-P335 HydrophobicContact CE1-CG 4.27Å; F296-P335 HydrophobicContact CZ-CB 4.31Å; P335-L391 HydrophobicContact CB-CD1 3.87Å; P335-L391 HydrophobicContact CG-CD1 4.49Å |
| 336 | I | 81.4 | Confident | 80.1 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -56.2 | -179.1 | -58.7 | -174.6 | 0 | 0 | 0 | 111.1 | Y283 I295 R297 R334 V384 F389 L391 Q392 | Y283-I336 HydrophobicContact CE1-CD1 4.11Å; I295-I336 PolarHBondContact O-N 2.89Å; R297-I336 HydrophobicContact CB-CD1 3.21Å; R297-I336 HydrophobicContact CB-CG1 3.9Å; R297-I336 HydrophobicContact CG-CD1 4.08Å; R334-I336 PolarHBondContact O-N 2.93Å; I336-V384 HydrophobicContact CD1-CG1 4.35Å; I336-V384 HydrophobicContact CG2-CG1 4.4Å; I336-F389 HydrophobicContact CG2-CD2 4.41Å; I336-F389 HydrophobicContact CG2-CE1 3.83Å; I336-F389 HydrophobicContact CG2-CE2 3.41Å; I336-F389 VanDerWaalsContact CG2-CE2 3.41Å; I336-F389 HydrophobicContact CG2-CZ 3.07Å; I336-L391 WeakPolarHBondContact O-CA 3.42Å; I336-Q392 PolarHBondContact O-N 3.18Å |
| 337 | L | 81.8 | Confident | 80.8 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141 | -168.8 | -67.4 | 178.4 | 0 | 0 | 0 | 111 | E294 I295 L382 V384 F389 Q392 L394 P405 | E294-L337 WeakPolarHBondContact CA-O 3.5Å; I295-L337 HydrophobicContact CB-CB 4.43Å; I295-L337 HydrophobicContact CD1-CB 4.42Å; I295-L337 PolarHBondContact N-O 3.24Å; I295-L337 PolarHBondContact O-N 2.88Å; L337-L382 HydrophobicContact CD1-CD2 4.3Å; L337-V384 HydrophobicContact CD1-CG2 3.85Å; L337-F389 HydrophobicContact CD2-CE2 3.77Å; L337-F389 HydrophobicContact CD2-CZ 4.19Å; L337-F389 HydrophobicContact CG-CE2 4.48Å; L337-Q392 HydrophobicContact CD2-CB 4.22Å; L337-L394 HydrophobicContact CD1-CD1 4.1Å; L337-L394 HydrophobicContact CD2-CD1 3.68Å; L337-L394 HydrophobicContact CD2-CG 4.16Å; L337-L394 HydrophobicContact CG-CD1 4.45Å; L337-P405 HydrophobicContact CD2-CB 4.45Å; L337-P405 HydrophobicContact CD2-CG 4.19Å |
| 338 | K | 83.8 | Confident | 81.6 | Confident | 44 Ų | 44 | 33.9 Ų | 33.9 | 19% | 0.191 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.8 | 164.8 | -178.9 | 177.5 | -172.2 | 159.8 | 0 | 108.4 | S267 S292 E294 Q392 T393 L394 | S267-K338 WeakPolarHBondContact OG-CD 3.15Å; S267-K338 WeakPolarHBondContact OG-CE 3.49Å; S267-K338 PolarHBondContact OG-NZ 3.33Å; S292-K338 WeakPolarHBondContact OG-CE 3.47Å; E294-K338 HydrophobicContact CG-CG 4.41Å; K338-Q392 PolarHBondContact N-O 2.69Å; K338-T393 HydrophobicContact CD-CG2 4.43Å; K338-T393 HydrophobicContact CG-CG2 4.44Å; K338-T393 CarbonylContact O-C 3.59Å; K338-T393 VanDerWaalsContact O-CA 3.29Å; K338-T393 WeakPolarHBondContact O-CA 3.49Å; K338-L394 PolarHBondContact O-N 3.37Å |
| 339 | I | 84 | Confident | 82.1 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.8 | -177.6 | -59.6 | 162.8 | 0 | 0 | 0 | 108.2 | S292 V293 I295 L341 I368 L380 L382 L394 | S292-I339 CarbonylContact C-O 3.58Å; S292-I339 WeakPolarHBondContact CA-O 3.39Å; V293-I339 PolarHBondContact N-O 3.37Å; V293-I339 PolarHBondContact O-N 3Å; I295-I339 HydrophobicContact CD1-CD1 3.71Å; I339-L341 HydrophobicContact CG2-CD2 4.06Å; I339-I368 HydrophobicContact CD1-CD1 4.25Å; I339-L380 HydrophobicContact CG2-CD1 4.14Å; I339-L382 HydrophobicContact CD1-CD1 3.45Å; I339-L382 VanDerWaalsContact CD1-CD1 3.45Å; I339-L382 HydrophobicContact CD1-CD2 3.57Å; I339-L382 HydrophobicContact CD1-CG 4.09Å; I339-L382 HydrophobicContact CG1-CD2 4.16Å; I339-L394 WeakPolarHBondContact CA-O 3.34Å |
| 340 | N | 85 | Confident | 82.6 | Confident | 51 Ų | 51 | 29.7 Ų | 29.7 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.4 | 173.8 | -67.7 | -30 | 0 | 0 | 0 | 109.7 | S292 T393 L394 P396 | S292-N340 WeakPolarHBondContact CB-OD1 3.38Å; N340-T393 VanDerWaalsContact ND2-CG2 3.33Å; N340-T393 WeakPolarHBondContact ND2-CG2 3.45Å; N340-L394 PolarHBondContact N-O 2.8Å; N340-P396 WeakPolarHBondContact O-CD 3.38Å |
| 341 | L | 83.3 | Confident | 82.9 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | trans | -84.3 | 163.6 | -179.7 | -60.5 | 177.1 | 0 | 0 | 0 | 112.1 | R291 V293 I339 A343 P345 C370 L372 L380 | R291-L341 PolarHBondContact O-N 3.13Å; V293-L341 HydrophobicContact CG2-CD1 3.67Å; V293-L341 HydrophobicContact CG2-CG 4.35Å; I339-L341 HydrophobicContact CG2-CD2 4.06Å; L341-A343 VanDerWaalsContact C-N 3.31Å; L341-A343 WeakPolarHBondContact CB-O 3.46Å; L341-A343 PolarHBondContact O-N 2.68Å; L341-P345 HydrophobicContact CD1-CB 3.71Å; L341-P345 HydrophobicContact CD1-CG 3.86Å; L341-C370 HydrophobicContact CD1-CB 4.19Å; L341-L372 HydrophobicContact CB-CD2 4.4Å; L341-L372 HydrophobicContact CD1-CD2 3.98Å; L341-L380 HydrophobicContact CD2-CD1 3.45Å; L341-L380 VanDerWaalsContact CD2-CD1 3.45Å | ||
| 342 | S | 80.4 | Confident | 83 | Confident | 67 Ų | 67 | 26.3 Ų | 26.3 | 47% | 0.469 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -63.4 | -37.1 | 178.6 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | L372 M376 E378 | S342-L372 WeakPolarHBondContact OG-CD1 3.33Å; S342-M376 VanDerWaalsContact OG-CE 3.27Å; S342-M376 WeakPolarHBondContact OG-CE 3.24Å; S342-E378 PolarHBondContact OG-OE1 3.2Å |
| 343 | A | 83.5 | Confident | 82.7 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 12% | 0.116 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -134.7 | 179.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L341 L372 N374 | L341-A343 VanDerWaalsContact C-N 3.31Å; L341-A343 WeakPolarHBondContact CB-O 3.46Å; L341-A343 PolarHBondContact O-N 2.68Å; A343-L372 HydrophobicContact CB-CB 4.25Å; A343-L372 HydrophobicContact CB-CD1 4.22Å; A343-N374 VanDerWaalsContact CB-OD1 3.27Å; A343-N374 WeakPolarHBondContact CB-OD1 3.28Å |
| 344 | K | 85.7 | Confident | 82.4 | Confident | 91 Ų | 91 | 31 Ų | 31 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | trans | -69.9 | 126.9 | 175.6 | -67.5 | 177 | -178.6 | 171.1 | 0 | 108.8 | R291 K373 | R291-K344 HydrophobicContact CG-CG 3.75Å; K344-K373 HydrophobicContact CB-CD 3.98Å; K344-K373 HydrophobicContact CB-CG 4.32Å; K344-K373 WeakPolarHBondContact O-CG 3.5Å; K344-K373 PolarHBondContact O-N 3.09Å | ||
| 345 | P | 85.5 | Confident | 82 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 136.5 | 174 | 29.2 | -31.9 | 0 | 0 | 0 | 110.2 | Q287 D290 V293 L341 S371 L372 | Q287-P345 HydrophobicContact CG-CB 4.2Å; Q287-P345 HydrophobicContact CG-CG 3.77Å; Q287-P345 PolarHBondContact NE2-O 2.96Å; D290-P345 VanDerWaalsContact O-CD 3.31Å; D290-P345 WeakPolarHBondContact O-CD 3.34Å; V293-P345 HydrophobicContact CG2-CG 4.18Å; L341-P345 HydrophobicContact CD1-CB 3.71Å; L341-P345 HydrophobicContact CD1-CG 3.86Å; P345-S371 CarbonylContact C-O 3.53Å; P345-S371 WeakPolarHBondContact CA-O 3.45Å; P345-L372 HydrophobicContact CB-CD2 4.29Å |
| 346 | G | 81.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -53.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | H273 Q287 S371 | H273-G346 PolarHBondContact CE1-O 3.01Å; H273-G346 PolarHBondContact ND1-O 2.95Å; H273-G346 PolarHBondContact NE2-O 2.63Å; Q287-G346 PolarHBondContact NE2-O 3.03Å; G346-S371 PolarHBondContact N-O 3.41Å |
| 347 | S | 85.3 | Confident | 81 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 160.2 | 174.5 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | T24 V26 Q287 C370 S371 | T24-S347 PolarHBondContact O-OG 2.63Å; V26-S347 WeakPolarHBondContact CG2-OG 3.13Å; V26-S347 PolarHBondContact N-OG 2.75Å; Q287-S347 VanDerWaalsContact OE1-CA 3.27Å; S347-C370 WeakPolarHBondContact O-CA 3.4Å; S347-S371 PolarHBondContact N-O 2.71Å; S347-S371 PolarHBondContact N-OG 3.12Å; S347-S371 PolarHBondContact O-N 2.66Å; S347-S371 PolarHBondContact O-OG 2.51Å; S347-S371 PolarHBondContact OG-OG 3.27Å |
| 348 | C | 85.6 | Confident | 79.8 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 149.9 | 176.4 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | L285 I369 | L285-C348 HydrophobicContact CD2-CB 3.45Å; L285-C348 VanDerWaalsContact CD2-CB 3.45Å; C348-I369 CarbonylContact C-O 3.56Å; C348-I369 VanDerWaalsContact CA-O 3.22Å; C348-I369 WeakPolarHBondContact CA-O 3.24Å |
| 349 | D | 86.9 | Confident | 78.2 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 157.9 | 172.5 | -172.2 | 23.3 | 0 | 0 | 0 | 110.7 | V26 S27 Y28 I368 I369 | V26-D349 WeakPolarHBondContact O-CB 3.32Å; S27-D349 WeakPolarHBondContact CA-OD2 3.47Å; Y28-D349 HydrophobicContact CD2-CB 4.28Å; Y28-D349 WeakPolarHBondContact CD2-OD2 3.39Å; Y28-D349 PolarHBondContact N-OD2 3.43Å; D349-I368 CarbonylContact O-C 3.56Å; D349-I368 WeakPolarHBondContact O-CA 3.43Å; D349-I368 WeakPolarHBondContact O-CG2 3.48Å; D349-I369 HydrophobicContact CB-CG2 3.91Å; D349-I369 PolarHBondContact N-O 2.82Å; D349-I369 PolarHBondContact O-N 3.37Å |
| 350 | I | 87.1 | Confident | 77 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.8 | -171.3 | -177 | 168.3 | 0 | 0 | 0 | 111.3 | V276 D278 L285 I366 I368 | V276-I350 HydrophobicContact CB-CG2 4.46Å; V276-I350 HydrophobicContact CG1-CG2 3.99Å; D278-I350 HydrophobicContact CB-CD1 4.19Å; D278-I350 HydrophobicContact CB-CG1 4.15Å; D278-I350 HydrophobicContact CB-CG2 3.93Å; L285-I350 HydrophobicContact CB-CG2 4.42Å; L285-I350 HydrophobicContact CD2-CB 4.47Å; I350-I366 HydrophobicContact CD1-CG2 3.5Å; I350-I366 VanDerWaalsContact CD1-CG2 3.5Å; I350-I366 HydrophobicContact CG1-CG2 3.7Å; I350-I368 HydrophobicContact CG1-CG1 4.37Å |
| 351 | L | 82 | Confident | 75.9 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 154.1 | 173.7 | -158.9 | 94.6 | 0 | 0 | 0 | 111.3 | Y28 R367 | Y28-L351 HydrophobicContact CD1-CD1 4.15Å; Y28-L351 HydrophobicContact CD2-CB 4.44Å; Y28-L351 HydrophobicContact CD2-CD1 4.25Å; Y28-L351 HydrophobicContact CE1-CD1 4.48Å; Y28-L351 HydrophobicContact CE2-CB 4.22Å; Y28-L351 HydrophobicContact CG-CD1 4.01Å; L351-R367 HydrophobicContact CB-CB 4.04Å; L351-R367 PolarHBondContact N-O 3.16Å |
| 352 | A | 74.2 | Confident | 75.3 | Confident | 28 Ų | 28 | 61 Ų | 61 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 130.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P279 T280 R354 | P279-A352 HydrophobicContact CB-CB 4.43Å; P279-A352 HydrophobicContact CG-CB 4.42Å; T280-A352 HydrophobicContact CG2-CB 3.97Å; A352-R354 PolarHBondContact O-N 3.48Å |
| 353 | P | 73 | Confident | 75.2 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 133.1 | -178.3 | 27.1 | -34.6 | 0 | 0 | 0 | 111 | D278 T280 Y283 H364 L365 I366 | D278-P353 VanDerWaalsContact OD2-CD 3.31Å; D278-P353 WeakPolarHBondContact OD2-CD 3.36Å; T280-P353 HydrophobicContact CG2-CG 4.42Å; Y283-P353 HydrophobicContact CD2-CB 4.23Å; Y283-P353 HydrophobicContact CD2-CG 4.03Å; Y283-P353 HydrophobicContact CE2-CB 3.89Å; Y283-P353 HydrophobicContact CE2-CG 3.94Å; P353-H364 HydrophobicContact CB-CB 4.34Å; P353-L365 WeakPolarHBondContact CA-O 3.33Å; P353-I366 HydrophobicContact CB-CG1 4.21Å |
| 354 | R | 75.5 | Confident | 75 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.4 | 172.2 | -67.2 | -173.7 | -178.4 | 167.5 | 5.5 | 110.1 | S36 A352 L365 | S36-R354 PolarHBondContact O-NH2 2.98Å; A352-R354 PolarHBondContact O-N 3.48Å; R354-L365 HydrophobicContact CB-CB 4.45Å; R354-L365 PolarHBondContact N-O 2.94Å; R354-L365 WeakPolarHBondContact O-CB 3.31Å; R354-L365 PolarHBondContact O-N 3.25Å |
| 355 | L | 74.3 | Confident | 75 | Confident | 93 Ų | 93 | 57.1 Ų | 57.1 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.4 | 173.5 | -166.3 | 79.3 | 0 | 0 | 0 | 109.3 | Q362 L386 | L355-Q362 HydrophobicContact CD1-CB 4.48Å; L355-L386 HydrophobicContact CD1-CD1 3.82Å |
| 356 | V | 75.4 | Confident | 75 | Confident | 59 Ų | 59 | 57 Ų | 57 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.2 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | E358 K363 L365 | V356-E358 HydrophobicContact CG1-CG 4.22Å; V356-K363 PolarHBondContact N-O 3.41Å; V356-K363 PolarHBondContact O-N 2.99Å; V356-L365 HydrophobicContact CG2-CB 4.23Å |
| 357 | N | 66.6 | Low | 75.2 | Confident | 113 Ų | 113 | 59.6 Ų | 59.6 | 60% | 0.604 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 109.9 | 175.7 | -65.3 | -14 | 0 | 0 | 0 | 108.7 | Q362 | N357-Q362 WeakPolarHBondContact OD1-CG 3.33Å |
| 358 | E | 56.8 | Low | 75.4 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.3 | 171.1 | -74.7 | -174.3 | 159.9 | 0 | 0 | 109 | V356 S361 K363 Y400 | V356-E358 HydrophobicContact CG1-CG 4.22Å; E358-S361 PolarHBondContact N-O 3.44Å; E358-S361 PolarHBondContact O-N 2.66Å; E358-S361 VanDerWaalsContact O-O 3.1Å; E358-S361 PolarHBondContact O-OG 2.82Å; E358-K363 IonicContact OE2-NZ 3.72Å; E358-K363 PolarHBondContact OE2-NZ 2.84Å; E358-Y400 PolarHBondContact OE2-OH 2.91Å; E358-Y400 VanDerWaalsContact OE2-OH 3.07Å |
| 359 | H | 51.3 | Low | 75.6 | Confident | 192 Ų | 192 | 59.4 Ų | 59.4 | 89% | 0.889 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 35.9 | 81.3 | 174.7 | -66.9 | -73.9 | 0 | 0 | 0 | 114.2 | S361 | H359-S361 PolarHBondContact O-N 2.88Š|
| 360 | E | 58.1 | Low | 75.6 | Confident | 214 Ų | 214 | 58.2 Ų | 58.2 | 100% | 1 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | -7.9 | 177.5 | -61.5 | -175.4 | 163.2 | 0 | 0 | 117.1 | ||
| 361 | S | 61.8 | Low | 75.7 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.2 | 179.2 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | E358 H359 | E358-S361 PolarHBondContact N-O 3.44Å; E358-S361 PolarHBondContact O-N 2.66Å; E358-S361 VanDerWaalsContact O-O 3.1Å; E358-S361 PolarHBondContact O-OG 2.82Å; H359-S361 PolarHBondContact O-N 2.88Å |
| 362 | Q | 71.5 | Confident | 75.9 | Confident | 106 Ų | 106 | 57.7 Ų | 57.7 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.3 | 173.2 | -60.4 | -172.8 | -27.1 | 0 | 0 | 110 | L355 N357 L386 | L355-Q362 HydrophobicContact CD1-CB 4.48Å; N357-Q362 WeakPolarHBondContact OD1-CG 3.33Å; Q362-L386 HydrophobicContact CB-CD1 3.39Å; Q362-L386 PolarHBondContact O-N 3.26Å |
| 363 | K | 76.4 | Confident | 76.5 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.6 | 179.4 | -57.8 | 176.7 | -166.4 | 167.4 | 0 | 110.3 | V356 E358 C404 | V356-K363 PolarHBondContact N-O 3.41Å; V356-K363 PolarHBondContact O-N 2.99Å; E358-K363 IonicContact OE2-NZ 3.72Å; E358-K363 PolarHBondContact OE2-NZ 2.84Å; K363-C404 VanDerWaalsContact CE-SG 3.56Å |
| 364 | H | 79.9 | Confident | 77.1 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 18% | 0.181 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.1 | 165.7 | -77.2 | -69.2 | 0 | 0 | 0 | 109.7 | Y283 P353 V384 L386 | Y283-H364 HydrophobicContact CE2-CB 4.38Å; Y283-H364 WeakPolarHBondContact OH-CB 3.36Å; Y283-H364 PolarHBondContact OH-CD2 2.67Å; P353-H364 HydrophobicContact CB-CB 4.34Å; H364-V384 PolarHBondContact N-O 3.12Å; H364-V384 PolarHBondContact O-N 3.44Å; H364-L386 WeakPolarHBondContact NE2-CD2 3.44Å |
| 365 | L | 85.2 | Confident | 77.7 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 108.7 | 175.4 | -166.1 | 115 | 0 | 0 | 0 | 109.5 | P353 R354 V356 R367 Q381 L382 | P353-L365 WeakPolarHBondContact CA-O 3.33Å; R354-L365 HydrophobicContact CB-CB 4.45Å; R354-L365 PolarHBondContact N-O 2.94Å; R354-L365 WeakPolarHBondContact O-CB 3.31Å; R354-L365 PolarHBondContact O-N 3.25Å; V356-L365 HydrophobicContact CG2-CB 4.23Å; L365-R367 HydrophobicContact CD2-CG 4.39Å; L365-Q381 HydrophobicContact CD1-CG 3.83Å; L365-Q381 HydrophobicContact CD2-CG 3.86Å; L365-Q381 HydrophobicContact CG-CG 3.81Å; L365-L382 WeakPolarHBondContact CA-O 3.11Å |
| 366 | I | 86.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.5 | 179.9 | -59.1 | 169.2 | 0 | 0 | 0 | 108.1 | Y283 I350 P353 I368 Q381 L382 V384 | Y283-I366 HydrophobicContact CD1-CD1 3.77Å; Y283-I366 HydrophobicContact CD2-CD1 3.75Å; Y283-I366 HydrophobicContact CD2-CG1 4.17Å; Y283-I366 HydrophobicContact CE1-CD1 3.69Å; Y283-I366 HydrophobicContact CE2-CD1 3.69Å; Y283-I366 HydrophobicContact CE2-CG1 4.04Å; Y283-I366 HydrophobicContact CG-CD1 3.8Å; I350-I366 HydrophobicContact CD1-CG2 3.5Å; I350-I366 VanDerWaalsContact CD1-CG2 3.5Å; I350-I366 HydrophobicContact CG1-CG2 3.7Å; P353-I366 HydrophobicContact CB-CG1 4.21Å; I366-I368 HydrophobicContact CG2-CD1 4.39Å; I366-I368 HydrophobicContact CG2-CG1 3.94Å; I366-Q381 CarbonylContact O-C 3.55Å; I366-Q381 WeakPolarHBondContact O-CA 3.29Å; I366-L382 HydrophobicContact CB-CB 4.28Å; I366-L382 HydrophobicContact CG2-CD1 4.49Å; I366-L382 PolarHBondContact N-O 2.96Å; I366-L382 PolarHBondContact O-N 3.41Å; I366-V384 HydrophobicContact CD1-CB 4.43Å; I366-V384 HydrophobicContact CD1-CG2 3.67Å |
| 367 | R | 86.9 | Confident | 79 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 21% | 0.208 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.1 | 169.3 | -64.9 | -174.8 | -177.8 | -171.2 | 1.2 | 109.8 | L351 L365 E379 L380 | L351-R367 HydrophobicContact CB-CB 4.04Å; L351-R367 PolarHBondContact N-O 3.16Å; L365-R367 HydrophobicContact CD2-CG 4.39Å; R367-E379 WeakPolarHBondContact CD-OE1 3.24Å; R367-E379 IonicContact NH1-OE1 2.95Å; R367-L380 CarbonylContact C-O 3.59Å; R367-L380 VanDerWaalsContact CA-O 3.25Å; R367-L380 WeakPolarHBondContact CA-O 3.35Å |
| 368 | I | 89.2 | Confident | 80 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 136.4 | -178.9 | -55.1 | -178.4 | 0 | 0 | 0 | 107.1 | L285 I295 I339 D349 I350 I366 E379 L380 L382 | L285-I368 HydrophobicContact CD1-CD1 3.76Å; L285-I368 HydrophobicContact CD1-CG2 4.4Å; L285-I368 HydrophobicContact CD2-CG2 4.03Å; I295-I368 HydrophobicContact CD1-CD1 3.56Å; I295-I368 HydrophobicContact CG1-CD1 4.22Å; I339-I368 HydrophobicContact CD1-CD1 4.25Å; D349-I368 CarbonylContact O-C 3.56Å; D349-I368 WeakPolarHBondContact O-CA 3.43Å; D349-I368 WeakPolarHBondContact O-CG2 3.48Å; I350-I368 HydrophobicContact CG1-CG1 4.37Å; I366-I368 HydrophobicContact CG2-CD1 4.39Å; I366-I368 HydrophobicContact CG2-CG1 3.94Å; I368-E379 CarbonylContact O-C 3.53Å; I368-E379 WeakPolarHBondContact O-CA 3.46Å; I368-L380 HydrophobicContact CB-CB 4.45Å; I368-L380 PolarHBondContact N-O 3.47Å; I368-L380 PolarHBondContact O-N 3.33Å; I368-L382 HydrophobicContact CD1-CD1 3.33Å; I368-L382 HydrophobicContact CG1-CD1 4.04Å |
| 369 | I | 89.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.1 | 168.8 | -162.2 | 166.3 | 0 | 0 | 0 | 109.5 | V26 Y28 C40 C348 D349 L377 E378 | V26-I369 HydrophobicContact CG1-CD1 4.23Å; V26-I369 HydrophobicContact CG1-CG1 4.36Å; V26-I369 HydrophobicContact CG1-CG2 3.64Å; Y28-I369 HydrophobicContact CD2-CG2 3.97Å; Y28-I369 HydrophobicContact CE1-CB 4.22Å; Y28-I369 HydrophobicContact CE1-CD1 4.42Å; Y28-I369 HydrophobicContact CE1-CG2 4.31Å; Y28-I369 HydrophobicContact CE2-CB 3.88Å; Y28-I369 HydrophobicContact CE2-CG2 3.52Å; Y28-I369 WeakPolarHBondContact OH-CB 3.17Å; Y28-I369 PolarHBondContact OH-N 3.19Å; C40-I369 HydrophobicContact CB-CD1 3.35Å; C40-I369 VanDerWaalsContact SG-CD1 3.54Å; C348-I369 CarbonylContact C-O 3.56Å; C348-I369 VanDerWaalsContact CA-O 3.22Å; C348-I369 WeakPolarHBondContact CA-O 3.24Å; D349-I369 HydrophobicContact CB-CG2 3.91Å; D349-I369 PolarHBondContact N-O 2.82Å; D349-I369 PolarHBondContact O-N 3.37Å; I369-L377 HydrophobicContact CD1-CD1 3.83Å; I369-L377 HydrophobicContact CD1-CD2 3.69Å; I369-L377 HydrophobicContact CD1-CG 3.78Å; I369-L377 HydrophobicContact CG1-CD1 3.74Å; I369-L377 HydrophobicContact CG1-CD2 4.35Å; I369-L377 HydrophobicContact CG1-CG 3.88Å; I369-E378 WeakPolarHBondContact CA-O 3.36Å |
| 370 | C | 86.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.9 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 109 | L341 S347 L372 E378 | L341-C370 HydrophobicContact CD1-CB 4.19Å; S347-C370 WeakPolarHBondContact O-CA 3.4Å; C370-L372 HydrophobicContact CB-CD2 4.31Å; C370-E378 PolarHBondContact N-O 3.48Å; C370-E378 PolarHBondContact O-N 2.91Å |
| 371 | S | 88.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 134.9 | 158 | 58.7 | 0 | 0 | 0 | 0 | 108.9 | P345 G346 S347 | P345-S371 CarbonylContact C-O 3.53Å; P345-S371 WeakPolarHBondContact CA-O 3.45Å; G346-S371 PolarHBondContact N-O 3.41Å; S347-S371 PolarHBondContact N-O 2.71Å; S347-S371 PolarHBondContact N-OG 3.12Å; S347-S371 PolarHBondContact O-N 2.66Å; S347-S371 PolarHBondContact O-OG 2.51Å; S347-S371 PolarHBondContact OG-OG 3.27Å |
| 372 | L | 87.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.7 | -179.7 | -59 | 179.5 | 0 | 0 | 0 | 110.5 | L341 S342 A343 P345 C370 N374 N375 M376 E378 | L341-L372 HydrophobicContact CB-CD2 4.4Å; L341-L372 HydrophobicContact CD1-CD2 3.98Å; S342-L372 WeakPolarHBondContact OG-CD1 3.33Å; A343-L372 HydrophobicContact CB-CB 4.25Å; A343-L372 HydrophobicContact CB-CD1 4.22Å; P345-L372 HydrophobicContact CB-CD2 4.29Å; C370-L372 HydrophobicContact CB-CD2 4.31Å; L372-N374 WeakPolarHBondContact CB-OD1 3.22Å; L372-N374 PolarHBondContact O-N 3.45Å; L372-N374 VanDerWaalsContact O-N 3.1Å; L372-N375 PolarHBondContact O-N 2.89Å; L372-M376 HydrophobicContact CB-CB 4.38Å; L372-M376 HydrophobicContact CD1-CB 4.22Å; L372-M376 HydrophobicContact CD1-CE 3.48Å; L372-M376 VanDerWaalsContact CD1-CE 3.48Å; L372-M376 HydrophobicContact CD1-CG 4.49Å; L372-M376 PolarHBondContact N-O 3.07Å; L372-E378 VanDerWaalsContact CD1-CD 3.43Å; L372-E378 HydrophobicContact CD1-CG 3.79Å; L372-E378 WeakPolarHBondContact CD1-OE1 3.46Å |
| 373 | K | 86.2 | Confident | 86.1 | Confident | 72 Ų | 72 | 16.7 Ų | 16.7 | 31% | 0.313 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.1 | -177.6 | -63.7 | -172.2 | 164.2 | -96.4 | 0 | 115.3 | D22 K344 N375 | D22-K373 VanDerWaalsContact OD1-CA 3.28Å; D22-K373 WeakPolarHBondContact OD1-CA 3.31Å; D22-K373 WeakPolarHBondContact OD2-CD 3.31Å; D22-K373 WeakPolarHBondContact OD2-CE 3.36Å; D22-K373 VanDerWaalsContact OD2-CG 3.22Å; D22-K373 WeakPolarHBondContact OD2-CG 3.12Å; D22-K373 IonicContact OD2-NZ 3.8Å; D22-K373 PolarHBondContact OD2-NZ 3.48Å; K344-K373 HydrophobicContact CB-CD 3.98Å; K344-K373 HydrophobicContact CB-CG 4.32Å; K344-K373 WeakPolarHBondContact O-CG 3.5Å; K344-K373 PolarHBondContact O-N 3.09Å; K373-N375 PolarHBondContact O-N 2.87Å |
| 374 | N | 85.7 | Confident | 86.1 | Confident | 37 Ų | 37 | 15.8 Ų | 15.8 | 20% | 0.198 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 30.8 | 171.8 | 62.1 | -25.7 | 0 | 0 | 0 | 111.6 | A343 L372 M376 R419 | A343-N374 VanDerWaalsContact CB-OD1 3.27Å; A343-N374 WeakPolarHBondContact CB-OD1 3.28Å; L372-N374 WeakPolarHBondContact CB-OD1 3.22Å; L372-N374 PolarHBondContact O-N 3.45Å; L372-N374 VanDerWaalsContact O-N 3.1Å; N374-M376 VanDerWaalsContact C-N 3.33Å; N374-M376 HydrophobicContact CB-CG 4.49Å; N374-M376 WeakPolarHBondContact ND2-CE 3.32Å; N374-M376 PolarHBondContact ND2-SD 3.38Å; N374-M376 WeakPolarHBondContact O-CG 3.39Å; N374-M376 PolarHBondContact O-N 2.98Å; N374-M376 WeakPolarHBondContact OD1-CG 3.46Å; N374-R419 WeakPolarHBondContact CB-O 3.26Å |
| 375 | N | 87.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 41.8 | 171.9 | -167.8 | 25.8 | 0 | 0 | 0 | 113 | G17 I19 A20 L372 K373 H418 R419 F761 | G17-N375 PolarHBondContact O-ND2 2.77Å; I19-N375 WeakPolarHBondContact CA-OD1 3.45Å; I19-N375 WeakPolarHBondContact CB-OD1 3.26Å; I19-N375 WeakPolarHBondContact CD1-O 3.36Å; I19-N375 PolarHBondContact N-OD1 2.93Å; A20-N375 PolarHBondContact N-OD1 3.4Å; L372-N375 PolarHBondContact O-N 2.89Å; K373-N375 PolarHBondContact O-N 2.87Å; N375-H418 WeakPolarHBondContact CB-O 3.35Å; N375-H418 PolarHBondContact ND2-O 3.23Å; N375-R419 PolarHBondContact O-NH1 3.14Å; N375-F761 HydrophobicContact CB-CD1 4.41Å; N375-F761 HydrophobicContact CB-CD2 4.27Å; N375-F761 HydrophobicContact CB-CE2 4.41Å; N375-F761 HydrophobicContact CB-CG 4.28Å |
| 376 | M | 88.3 | Confident | 84.9 | Confident | 22 Ų | 22 | 15.7 Ų | 15.7 | 11% | 0.108 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 152.4 | 175.5 | -27 | -160.8 | -65 | 0 | 0 | 110.8 | S342 L372 N374 E378 R419 | S342-M376 VanDerWaalsContact OG-CE 3.27Å; S342-M376 WeakPolarHBondContact OG-CE 3.24Å; L372-M376 HydrophobicContact CB-CB 4.38Å; L372-M376 HydrophobicContact CD1-CB 4.22Å; L372-M376 HydrophobicContact CD1-CE 3.48Å; L372-M376 VanDerWaalsContact CD1-CE 3.48Å; L372-M376 HydrophobicContact CD1-CG 4.49Å; L372-M376 PolarHBondContact N-O 3.07Å; N374-M376 VanDerWaalsContact C-N 3.33Å; N374-M376 HydrophobicContact CB-CG 4.49Å; N374-M376 WeakPolarHBondContact ND2-CE 3.32Å; N374-M376 PolarHBondContact ND2-SD 3.38Å; N374-M376 WeakPolarHBondContact O-CG 3.39Å; N374-M376 PolarHBondContact O-N 2.98Å; N374-M376 WeakPolarHBondContact OD1-CG 3.46Å; M376-E378 VanDerWaalsContact CE-OE1 3.31Å; M376-E378 WeakPolarHBondContact CE-OE1 3.5Å; M376-R419 VanDerWaalsContact CG-NH2 3.32Å; M376-R419 HydrophobicContact SD-CG 4.45Å; M376-R419 PolarHBondContact SD-NE 2.88Å; M376-R419 PolarHBondContact SD-NH2 3.44Å |
| 377 | L | 88.5 | Confident | 83.8 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.5 | 168.9 | -164.9 | 71.7 | 0 | 0 | 0 | 108.7 | I19 V26 C40 W51 I369 T412 V413 | I19-L377 HydrophobicContact CG2-CB 4.29Å; V26-L377 HydrophobicContact CG1-CD1 4.39Å; V26-L377 HydrophobicContact CG2-CD1 4.33Å; C40-L377 WeakPolarHBondContact SG-CD2 3.35Å; W51-L377 HydrophobicContact CB-CD2 4.37Å; I369-L377 HydrophobicContact CD1-CD1 3.83Å; I369-L377 HydrophobicContact CD1-CD2 3.69Å; I369-L377 HydrophobicContact CD1-CG 3.78Å; I369-L377 HydrophobicContact CG1-CD1 3.74Å; I369-L377 HydrophobicContact CG1-CD2 4.35Å; I369-L377 HydrophobicContact CG1-CG 3.88Å; L377-T412 CarbonylContact O-C 3.58Å; L377-T412 WeakPolarHBondContact O-CA 3.44Å; L377-V413 HydrophobicContact CB-CB 3.99Å; L377-V413 HydrophobicContact CB-CG2 4.25Å; L377-V413 HydrophobicContact CD2-CG2 4.09Å; L377-V413 PolarHBondContact N-O 3.2Å; L377-V413 PolarHBondContact O-N 3.06Å |
| 378 | E | 88.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 22.5 Ų | 22.5 | 5% | 0.051 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.2 | 177.3 | -68.4 | -175.1 | 174.2 | 0 | 0 | 109.8 | S342 I369 C370 L372 M376 L409 T412 | S342-E378 PolarHBondContact OG-OE1 3.2Å; I369-E378 WeakPolarHBondContact CA-O 3.36Å; C370-E378 PolarHBondContact N-O 3.48Å; C370-E378 PolarHBondContact O-N 2.91Å; L372-E378 VanDerWaalsContact CD1-CD 3.43Å; L372-E378 HydrophobicContact CD1-CG 3.79Å; L372-E378 WeakPolarHBondContact CD1-OE1 3.46Å; M376-E378 VanDerWaalsContact CE-OE1 3.31Å; M376-E378 WeakPolarHBondContact CE-OE1 3.5Å; E378-L409 HydrophobicContact CB-CD1 3.91Å; E378-L409 HydrophobicContact CG-CD1 4.07Å; E378-T412 HydrophobicContact CG-CG2 4.21Å |
| 379 | E | 89.2 | Confident | 81.1 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.4 | 168.9 | -169.9 | -177 | 174.6 | 0 | 0 | 108.8 | P53 R367 I368 L410 N411 | P53-E379 WeakPolarHBondContact CG-OE2 3.17Å; R367-E379 WeakPolarHBondContact CD-OE1 3.24Å; R367-E379 IonicContact NH1-OE1 2.95Å; I368-E379 CarbonylContact O-C 3.53Å; I368-E379 WeakPolarHBondContact O-CA 3.46Å; E379-L410 HydrophobicContact CB-CB 4.5Å; E379-L410 VanDerWaalsContact CD-CD2 3.47Å; E379-L410 HydrophobicContact CG-CB 4.42Å; E379-L410 HydrophobicContact CG-CD2 4.19Å; E379-L410 WeakPolarHBondContact O-CA 3.49Å; E379-L410 WeakPolarHBondContact O-CB 3.49Å; E379-L410 PolarHBondContact O-N 3.31Å; E379-L410 WeakPolarHBondContact OE1-CD2 3.27Å; E379-N411 HydrophobicContact CB-CB 4.07Å; E379-N411 PolarHBondContact N-O 3.2Å; E379-N411 PolarHBondContact O-N 2.65Å; E379-N411 PolarHBondContact OE2-ND2 3.05Å |
| 380 | L | 86.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 139.4 | 179.7 | -63.1 | 172.5 | 0 | 0 | 0 | 110.2 | I339 L341 R367 I368 P396 R408 L409 | I339-L380 HydrophobicContact CG2-CD1 4.14Å; L341-L380 HydrophobicContact CD2-CD1 3.45Å; L341-L380 VanDerWaalsContact CD2-CD1 3.45Å; R367-L380 CarbonylContact C-O 3.59Å; R367-L380 VanDerWaalsContact CA-O 3.25Å; R367-L380 WeakPolarHBondContact CA-O 3.35Å; I368-L380 HydrophobicContact CB-CB 4.45Å; I368-L380 PolarHBondContact N-O 3.47Å; I368-L380 PolarHBondContact O-N 3.33Å; L380-P396 HydrophobicContact CD2-CB 3.8Å; L380-R408 CarbonylContact C-O 3.56Å; L380-R408 WeakPolarHBondContact CA-O 3.4Å; L380-L409 HydrophobicContact CD2-CB 4.33Å; L380-L409 HydrophobicContact CD2-CD1 3.61Å |
| 381 | Q | 86.5 | Confident | 78.4 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.1 | 172.9 | -174.7 | -179 | 24.5 | 0 | 0 | 108.9 | L365 I366 R408 L410 | L365-Q381 HydrophobicContact CD1-CG 3.83Å; L365-Q381 HydrophobicContact CD2-CG 3.86Å; L365-Q381 HydrophobicContact CG-CG 3.81Å; I366-Q381 CarbonylContact O-C 3.55Å; I366-Q381 WeakPolarHBondContact O-CA 3.29Å; Q381-R408 HydrophobicContact CB-CB 4.4Å; Q381-R408 PolarHBondContact N-O 3.46Å; Q381-R408 PolarHBondContact O-N 3.34Å; Q381-L410 HydrophobicContact CB-CB 4.44Å; Q381-L410 HydrophobicContact CB-CD1 4.47Å |
| 382 | L | 83.1 | Confident | 77.3 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.8 | -178.6 | -62.2 | 157.2 | 0 | 0 | 0 | 109.5 | I295 L337 I339 L365 I366 I368 A407 | I295-L382 HydrophobicContact CD1-CD1 3.28Å; L337-L382 HydrophobicContact CD1-CD2 4.3Å; I339-L382 HydrophobicContact CD1-CD1 3.45Å; I339-L382 VanDerWaalsContact CD1-CD1 3.45Å; I339-L382 HydrophobicContact CD1-CD2 3.57Å; I339-L382 HydrophobicContact CD1-CG 4.09Å; I339-L382 HydrophobicContact CG1-CD2 4.16Å; L365-L382 WeakPolarHBondContact CA-O 3.11Å; I366-L382 HydrophobicContact CB-CB 4.28Å; I366-L382 HydrophobicContact CG2-CD1 4.49Å; I366-L382 PolarHBondContact N-O 2.96Å; I366-L382 PolarHBondContact O-N 3.41Å; I368-L382 HydrophobicContact CD1-CD1 3.33Å; I368-L382 HydrophobicContact CG1-CD1 4.04Å; L382-A407 HydrophobicContact CD2-CB 3.46Å; L382-A407 VanDerWaalsContact CD2-CB 3.46Å |
| 383 | A | 81.3 | Confident | 76.2 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 103.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | N406 | A383-N406 PolarHBondContact N-O 3.15Å |
| 384 | V | 78 | Confident | 75.2 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 114.1 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | Y283 I336 L337 H364 I366 F389 | Y283-V384 HydrophobicContact CE1-CG1 4.48Å; I336-V384 HydrophobicContact CD1-CG1 4.35Å; I336-V384 HydrophobicContact CG2-CG1 4.4Å; L337-V384 HydrophobicContact CD1-CG2 3.85Å; H364-V384 PolarHBondContact N-O 3.12Å; H364-V384 PolarHBondContact O-N 3.44Å; I366-V384 HydrophobicContact CD1-CB 4.43Å; I366-V384 HydrophobicContact CD1-CG2 3.67Å; V384-F389 HydrophobicContact CG1-CE1 3.99Å; V384-F389 HydrophobicContact CG1-CZ 4.09Å |
| 385 | P | 71.5 | Confident | 74 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 145.2 | 172.5 | 27.7 | -32.2 | 0 | 0 | 0 | 110.4 | S387 F389 C404 | P385-S387 PolarHBondContact O-N 2.83Å; P385-F389 HydrophobicContact CG-CD1 3.77Å; P385-F389 HydrophobicContact CG-CE1 3.58Å; P385-F389 HydrophobicContact CG-CZ 4.36Å; P385-C404 HydrophobicContact CG-CB 4.38Å |
| 386 | L | 68 | Low | 72.7 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -69.6 | -20.2 | 179 | -90.8 | 154.4 | 0 | 0 | 0 | 113.5 | L355 Q362 H364 | L355-L386 HydrophobicContact CD1-CD1 3.82Å; Q362-L386 HydrophobicContact CB-CD1 3.39Å; Q362-L386 PolarHBondContact O-N 3.26Å; H364-L386 WeakPolarHBondContact NE2-CD2 3.44Å |
| 387 | S | 63.4 | Low | 71.3 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -67.9 | 148.8 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | P385 F389 | P385-S387 PolarHBondContact O-N 2.83Å; S387-F389 WeakPolarHBondContact O-CD1 3.21Å; S387-F389 PolarHBondContact O-N 3.1Å |
| 388 | P | 55.6 | Low | 69.8 | Low | 126 Ų | 126 | 58.1 Ų | 58.1 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | trans | -69.6 | 125.9 | 176.9 | 27.9 | -32.9 | 0 | 0 | 0 | 110.4 | ||||
| 389 | F | 63.6 | Low | 67.8 | Low | 56 Ų | 56 | 62.2 Ų | 62.2 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | trans | -129.2 | 158 | 171.9 | 59.8 | -83.8 | 0 | 0 | 0 | 111.4 | I336 L337 V384 P385 S387 Q392 P405 | I336-F389 HydrophobicContact CG2-CD2 4.41Å; I336-F389 HydrophobicContact CG2-CE1 3.83Å; I336-F389 HydrophobicContact CG2-CE2 3.41Å; I336-F389 VanDerWaalsContact CG2-CE2 3.41Å; I336-F389 HydrophobicContact CG2-CZ 3.07Å; L337-F389 HydrophobicContact CD2-CE2 3.77Å; L337-F389 HydrophobicContact CD2-CZ 4.19Å; L337-F389 HydrophobicContact CG-CE2 4.48Å; V384-F389 HydrophobicContact CG1-CE1 3.99Å; V384-F389 HydrophobicContact CG1-CZ 4.09Å; P385-F389 HydrophobicContact CG-CD1 3.77Å; P385-F389 HydrophobicContact CG-CE1 3.58Å; P385-F389 HydrophobicContact CG-CZ 4.36Å; S387-F389 WeakPolarHBondContact O-CD1 3.21Å; S387-F389 PolarHBondContact O-N 3.1Å; F389-Q392 HydrophobicContact CD2-CG 4.36Å; F389-P405 HydrophobicContact CE2-CG 4.05Å; F389-P405 HydrophobicContact CZ-CG 4.46Å | ||
| 390 | K | 59.1 | Low | 65.8 | Low | 190 Ų | 190 | 67.2 Ų | 67.2 | 83% | 0.826 | 36% | 0.358 | S | S | * | . | trans | -67.5 | 154.8 | 175 | -68.4 | -177.4 | 178.1 | -179 | 0 | 109.9 | Q392 | K390-Q392 WeakPolarHBondContact O-CG 2.97Å; K390-Q392 PolarHBondContact O-N 3.02Å | ||
| 391 | L | 59.8 | Low | 64.1 | Low | 94 Ų | 94 | 71.8 Ų | 71.8 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | trans | -47.4 | 127.1 | 173.6 | -174.4 | 85 | 0 | 0 | 0 | 110.6 | P335 I336 | P335-L391 HydrophobicContact CB-CD1 3.87Å; P335-L391 HydrophobicContact CG-CD1 4.49Å; I336-L391 WeakPolarHBondContact O-CA 3.42Å | ||
| 392 | Q | 65.1 | Low | 62.2 | Low | 72 Ų | 72 | 79.2 Ų | 79.2 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.2 | 174.9 | -67.3 | -169.5 | 10.9 | 0 | 0 | 111.4 | I336 L337 K338 F389 K390 P405 | I336-Q392 PolarHBondContact O-N 3.18Å; L337-Q392 HydrophobicContact CD2-CB 4.22Å; K338-Q392 PolarHBondContact N-O 2.69Å; F389-Q392 HydrophobicContact CD2-CG 4.36Å; K390-Q392 WeakPolarHBondContact O-CG 2.97Å; K390-Q392 PolarHBondContact O-N 3.02Å; Q392-P405 HydrophobicContact CB-CG 4.49Å |
| 393 | T | 64.9 | Low | 60.3 | Low | 84 Ų | 84 | 87.9 Ų | 87.9 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.4 | 171.7 | -57.7 | 0 | 0 | 0 | 0 | 108.3 | K338 N340 | K338-T393 HydrophobicContact CD-CG2 4.43Å; K338-T393 HydrophobicContact CG-CG2 4.44Å; K338-T393 CarbonylContact O-C 3.59Å; K338-T393 VanDerWaalsContact O-CA 3.29Å; K338-T393 WeakPolarHBondContact O-CA 3.49Å; N340-T393 VanDerWaalsContact ND2-CG2 3.33Å; N340-T393 WeakPolarHBondContact ND2-CG2 3.45Å |
| 394 | L | 65 | Low | 58.8 | Low | 18 Ų | 18 | 89.8 Ų | 89.8 | 9% | 0.094 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.4 | -178.1 | -60.7 | -179.5 | 0 | 0 | 0 | 110.7 | L337 K338 I339 N340 P405 A407 | L337-L394 HydrophobicContact CD1-CD1 4.1Å; L337-L394 HydrophobicContact CD2-CD1 3.68Å; L337-L394 HydrophobicContact CD2-CG 4.16Å; L337-L394 HydrophobicContact CG-CD1 4.45Å; K338-L394 PolarHBondContact O-N 3.37Å; I339-L394 WeakPolarHBondContact CA-O 3.34Å; N340-L394 PolarHBondContact N-O 2.8Å; L394-P405 HydrophobicContact CD1-CB 4.23Å; L394-P405 HydrophobicContact CD1-CG 4.29Å; L394-P405 HydrophobicContact CD2-CG 4.35Å; L394-P405 WeakPolarHBondContact CD2-O 3.07Å; L394-A407 HydrophobicContact CB-CB 4.13Å; L394-A407 HydrophobicContact CD1-CB 4.34Å |
| 395 | Q | 61.2 | Low | 57.8 | Low | 144 Ų | 144 | 90 Ų | 90 | 67% | 0.673 | 47% | 0.465 | S | S | * | . | trans | -104.8 | 136.3 | 164.9 | -70.8 | -178 | -17.8 | 0 | 0 | 108.2 | T397 | Q395-T397 PolarHBondContact O-N 2.79Š| ||
| 396 | P | 60 | Low | 57.5 | Low | 37 Ų | 37 | 90.9 Ų | 90.9 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | trans | -66.1 | 124.6 | 178 | 27 | -32.8 | 0 | 0 | 0 | 109.8 | N340 L380 A407 | N340-P396 WeakPolarHBondContact O-CD 3.38Å; L380-P396 HydrophobicContact CD2-CB 3.8Å; P396-A407 WeakPolarHBondContact CA-O 3.17Å | ||
| 397 | T | 57.9 | Low | 57.8 | Low | 53 Ų | 53 | 88.5 Ų | 88.5 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -114.5 | 148.3 | 175.4 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | Q395 T399 A407 R408 L409 | Q395-T397 PolarHBondContact O-N 2.79Å; T397-T399 PolarHBondContact OG1-O 3.36Å; T397-A407 PolarHBondContact N-O 3.1Å; T397-R408 WeakPolarHBondContact O-CA 3.28Å; T397-L409 PolarHBondContact O-N 2.97Å |
| 398 | L | 57.5 | Low | 58.6 | Low | 138 Ų | 138 | 90.3 Ų | 90.3 | 72% | 0.723 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -74.2 | -30.1 | 174.5 | -73.2 | 161.6 | 0 | 0 | 0 | 111.9 | L409 | L398-L409 HydrophobicContact CD2-CD2 4.28Š|
| 399 | T | 46.5 | Very low | 59.8 | Low | 98 Ų | 98 | 85.9 Ų | 85.9 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -92.3 | 141.6 | -175.9 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | T397 N401 | T397-T399 PolarHBondContact OG1-O 3.36Å; T399-N401 PolarHBondContact O-N 3.25Å |
| 400 | Y | 46.9 | Very low | 60.7 | Low | 107 Ų | 107 | 85.5 Ų | 85.5 | 42% | 0.42 | 42% | 0.422 | S | S | . | . | trans | -84.8 | 103.9 | 177.3 | -172.1 | -103.8 | 0 | 0 | 0 | 110.1 | E358 K402 | E358-Y400 PolarHBondContact OE2-OH 2.91Å; E358-Y400 VanDerWaalsContact OE2-OH 3.07Å; Y400-K402 HydrophobicContact CD1-CG 4.25Å; Y400-K402 HydrophobicContact CE1-CG 4.13Å | ||
| 401 | N | 50.5 | Low | 62 | Low | 98 Ų | 98 | 78 Ų | 78 | 52% | 0.524 | 39% | 0.391 | S | S | . | . | trans | -80.6 | 133.8 | 164 | -80 | -23 | 0 | 0 | 0 | 109.3 | T399 K403 N406 | T399-N401 PolarHBondContact O-N 3.25Å; N401-K403 PolarHBondContact O-N 3.07Å; N401-N406 WeakPolarHBondContact CB-ND2 3.43Å; N401-N406 PolarHBondContact O-ND2 3.42Å | ||
| 402 | K | 47.4 | Very low | 63.2 | Low | 186 Ų | 186 | 76.2 Ų | 76.2 | 81% | 0.809 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -72.7 | -10.6 | -178.8 | -68.9 | -177.7 | 178 | -179.9 | 0 | 113.6 | Y400 | Y400-K402 HydrophobicContact CD1-CG 4.25Å; Y400-K402 HydrophobicContact CE1-CG 4.13Å |
| 403 | K | 43.3 | Very low | 64.3 | Low | 184 Ų | 184 | 72.9 Ų | 72.9 | 80% | 0.8 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -95.4 | 120.8 | 177.7 | -70.9 | -176.8 | 177.6 | -179.9 | 0 | 110.6 | N401 N406 | N401-K403 PolarHBondContact O-N 3.07Å; K403-N406 PolarHBondContact O-ND2 2.94Å; K403-N406 PolarHBondContact O-OD1 3.18Å |
| 404 | C | 50.4 | Low | 65.3 | Low | 59 Ų | 59 | 70.6 Ų | 70.6 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -69 | 159 | -178.1 | -55.8 | 0 | 0 | 0 | 0 | 113.8 | K363 P385 | K363-C404 VanDerWaalsContact CE-SG 3.56Å; P385-C404 HydrophobicContact CG-CB 4.38Å |
| 405 | P | 57.1 | Low | 66.3 | Low | 6 Ų | 6 | 73.5 Ų | 73.5 | 4% | 0.039 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | cis | -89.5 | 139.3 | -15.8 | 33.6 | -26.9 | 0 | 0 | 0 | 111.5 | L337 F389 Q392 L394 | L337-P405 HydrophobicContact CD2-CB 4.45Å; L337-P405 HydrophobicContact CD2-CG 4.19Å; F389-P405 HydrophobicContact CE2-CG 4.05Å; F389-P405 HydrophobicContact CZ-CG 4.46Å; Q392-P405 HydrophobicContact CB-CG 4.49Å; L394-P405 HydrophobicContact CD1-CB 4.23Å; L394-P405 HydrophobicContact CD1-CG 4.29Å; L394-P405 HydrophobicContact CD2-CG 4.35Å; L394-P405 WeakPolarHBondContact CD2-O 3.07Å |
| 406 | N | 65.2 | Low | 67.4 | Low | 37 Ų | 37 | 69 Ų | 69 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | trans | -123.1 | 140.4 | -179.9 | -66.6 | -37 | 0 | 0 | 0 | 110.9 | A383 N401 K403 | A383-N406 PolarHBondContact N-O 3.15Å; N401-N406 WeakPolarHBondContact CB-ND2 3.43Å; N401-N406 PolarHBondContact O-ND2 3.42Å; K403-N406 PolarHBondContact O-ND2 2.94Å; K403-N406 PolarHBondContact O-OD1 3.18Å | ||
| 407 | A | 73 | Confident | 68.7 | Low | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 110.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | L382 L394 P396 T397 | L382-A407 HydrophobicContact CD2-CB 3.46Å; L382-A407 VanDerWaalsContact CD2-CB 3.46Å; L394-A407 HydrophobicContact CB-CB 4.13Å; L394-A407 HydrophobicContact CD1-CB 4.34Å; P396-A407 WeakPolarHBondContact CA-O 3.17Å; T397-A407 PolarHBondContact N-O 3.1Å |
| 408 | R | 80.6 | Confident | 70.2 | Confident | 108 Ų | 108 | 64.8 Ų | 64.8 | 41% | 0.408 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.5 | 176.4 | -178.6 | -179.3 | 179.5 | 174.6 | 0.5 | 109 | L380 Q381 T397 L410 | L380-R408 CarbonylContact C-O 3.56Å; L380-R408 WeakPolarHBondContact CA-O 3.4Å; Q381-R408 HydrophobicContact CB-CB 4.4Å; Q381-R408 PolarHBondContact N-O 3.46Å; Q381-R408 PolarHBondContact O-N 3.34Å; T397-R408 WeakPolarHBondContact O-CA 3.28Å; R408-L410 PolarHBondContact O-N 2.83Å |
| 409 | L | 80.9 | Confident | 71.6 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 111.9 | 166 | -172.8 | 63.9 | 0 | 0 | 0 | 108.4 | E378 L380 T397 L398 T412 | E378-L409 HydrophobicContact CB-CD1 3.91Å; E378-L409 HydrophobicContact CG-CD1 4.07Å; L380-L409 HydrophobicContact CD2-CB 4.33Å; L380-L409 HydrophobicContact CD2-CD1 3.61Å; T397-L409 PolarHBondContact O-N 2.97Å; L398-L409 HydrophobicContact CD2-CD2 4.28Å; L409-T412 HydrophobicContact CD1-CG2 3.79Å; L409-T412 HydrophobicContact CD2-CG2 3.61Å; L409-T412 HydrophobicContact CG-CG2 3.76Å |
| 410 | L | 82.5 | Confident | 73.6 | Confident | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -59.3 | -175.6 | -170.3 | 87.5 | 0 | 0 | 0 | 110.5 | E379 Q381 R408 | E379-L410 HydrophobicContact CB-CB 4.5Å; E379-L410 VanDerWaalsContact CD-CD2 3.47Å; E379-L410 HydrophobicContact CG-CB 4.42Å; E379-L410 HydrophobicContact CG-CD2 4.19Å; E379-L410 WeakPolarHBondContact O-CA 3.49Å; E379-L410 WeakPolarHBondContact O-CB 3.49Å; E379-L410 PolarHBondContact O-N 3.31Å; E379-L410 WeakPolarHBondContact OE1-CD2 3.27Å; Q381-L410 HydrophobicContact CB-CB 4.44Å; Q381-L410 HydrophobicContact CB-CD1 4.47Å; R408-L410 PolarHBondContact O-N 2.83Å |
| 411 | N | 85.3 | Confident | 75.5 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149.3 | -175.9 | -62.5 | -41 | 0 | 0 | 0 | 110.2 | P53 E379 | P53-N411 HydrophobicContact CB-CB 4.14Å; P53-N411 WeakPolarHBondContact O-CB 3.42Å; E379-N411 HydrophobicContact CB-CB 4.07Å; E379-N411 PolarHBondContact N-O 3.2Å; E379-N411 PolarHBondContact O-N 2.65Å; E379-N411 PolarHBondContact OE2-ND2 3.05Å |
| 412 | T | 86.9 | Confident | 77.5 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 125.3 | 174.5 | 58 | 0 | 0 | 0 | 0 | 110 | L377 E378 L409 | L377-T412 CarbonylContact O-C 3.58Å; L377-T412 WeakPolarHBondContact O-CA 3.44Å; E378-T412 HydrophobicContact CG-CG2 4.21Å; L409-T412 HydrophobicContact CD1-CG2 3.79Å; L409-T412 HydrophobicContact CD2-CG2 3.61Å; L409-T412 HydrophobicContact CG-CG2 3.76Å |
| 413 | V | 87.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 109.5 | 170.3 | -171.9 | 0 | 0 | 0 | 0 | 108.2 | I19 W51 L377 | I19-V413 HydrophobicContact CD1-CG1 4.28Å; I19-V413 HydrophobicContact CG2-CB 4.39Å; I19-V413 HydrophobicContact CG2-CG1 4.08Å; W51-V413 HydrophobicContact CD2-CG1 4.32Å; W51-V413 HydrophobicContact CE3-CG1 3.99Å; W51-V413 HydrophobicContact CH2-CG1 4.48Å; W51-V413 HydrophobicContact CZ3-CG1 4.07Å; L377-V413 HydrophobicContact CB-CB 3.99Å; L377-V413 HydrophobicContact CB-CG2 4.25Å; L377-V413 HydrophobicContact CD2-CG2 4.09Å; L377-V413 PolarHBondContact N-O 3.2Å; L377-V413 PolarHBondContact O-N 3.06Å |
| 414 | S | 86.4 | Confident | 81.9 | Confident | 37 Ų | 37 | 33.9 Ų | 33.9 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | trans | -128.2 | -28.3 | -173.2 | 63.5 | 0 | 0 | 0 | 0 | 115.9 | F416 R419 K443 | S414-F416 PolarHBondContact O-N 2.82Å; S414-R419 VanDerWaalsContact CA-CZ 3.46Å; S414-R419 VanDerWaalsContact CB-CZ 3.48Å; S414-K443 PolarHBondContact O-NZ 2.98Å | ||
| 415 | I | 86.3 | Confident | 83.9 | Confident | 79 Ų | 79 | 31.6 Ų | 31.6 | 41% | 0.405 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -38 | -163.5 | -63.4 | 167.7 | 0 | 0 | 0 | 110.6 | G417 K443 C452 | I415-G417 PolarHBondContact O-N 3.26Å; I415-K443 PolarHBondContact O-NZ 3.01Å; I415-C452 HydrophobicContact CG2-CB 3.83Å; I415-C452 WeakPolarHBondContact O-CB 3.32Å |
| 416 | F | 84.5 | Confident | 85.6 | Confident | 50 Ų | 50 | 33 Ų | 33 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 4.7 | -170.6 | -65.1 | -77.7 | 0 | 0 | 0 | 116.8 | G17 I19 W51 S56 S414 W445 | G17-F416 CarbonylContact C-O 3.57Å; G17-F416 WeakPolarHBondContact CA-O 3.41Å; I19-F416 HydrophobicContact CD1-CB 4.31Å; I19-F416 HydrophobicContact CG1-CB 4.09Å; W51-F416 HydrophobicContact CH2-CB 3.82Å; W51-F416 AromaticContact CH2-CD2 3.7Å; W51-F416 HydrophobicContact CH2-CD2 3.7Å; W51-F416 HydrophobicContact CH2-CE2 4.48Å; W51-F416 AromaticContact CH2-CG 3.79Å; W51-F416 HydrophobicContact CH2-CG 3.79Å; W51-F416 AromaticContact CZ3-CD2 3.57Å; W51-F416 HydrophobicContact CZ3-CD2 3.57Å; W51-F416 HydrophobicContact CZ3-CE2 4.01Å; W51-F416 HydrophobicContact CZ3-CG 4.13Å; S56-F416 WeakPolarHBondContact O-CE2 3.48Å; S414-F416 PolarHBondContact O-N 2.82Å; F416-W445 WeakPolarHBondContact O-CH2 3.17Å |
| 417 | G | 86.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -152.4 | 151.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G17 I415 K443 | G17-G417 WeakPolarHBondContact O-CA 3.44Å; I415-G417 PolarHBondContact O-N 3.26Å; G417-K443 PolarHBondContact O-NZ 3.31Å |
| 418 | H | 89.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -76.2 | 148 | 174.6 | -75.8 | -84.1 | 0 | 0 | 0 | 111.6 | N375 S420 V422 T436 E441 W445 F761 | N375-H418 WeakPolarHBondContact CB-O 3.35Å; N375-H418 PolarHBondContact ND2-O 3.23Å; H418-S420 WeakPolarHBondContact CB-O 3.13Å; H418-V422 HydrophobicContact CB-CG2 4.2Å; H418-V422 WeakPolarHBondContact CD2-CG2 3.45Å; H418-T436 PolarHBondContact CE1-OG1 2.78Å; H418-T436 WeakPolarHBondContact NE2-CB 3.43Å; H418-T436 PolarHBondContact NE2-OG1 3.25Å; H418-E441 WeakPolarHBondContact CA-OE1 3.19Å; H418-E441 IonicContact ND1-OE1 3.94Å; H418-W445 AromaticContact NE2-NE1 3.85Å; H418-F761 WeakPolarHBondContact O-CD1 3.17Å | ||
| 419 | R | 86.5 | Confident | 88 | Confident | 42 Ų | 42 | 30.7 Ų | 30.7 | 16% | 0.158 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -83.5 | -25.5 | 178.2 | -56.1 | -35.4 | -165.7 | 174.9 | 21.4 | 113.9 | N374 N375 M376 S414 E441 | N374-R419 WeakPolarHBondContact CB-O 3.26Å; N375-R419 PolarHBondContact O-NH1 3.14Å; M376-R419 VanDerWaalsContact CG-NH2 3.32Å; M376-R419 HydrophobicContact SD-CG 4.45Å; M376-R419 PolarHBondContact SD-NE 2.88Å; M376-R419 PolarHBondContact SD-NH2 3.44Å; S414-R419 VanDerWaalsContact CA-CZ 3.46Å; S414-R419 VanDerWaalsContact CB-CZ 3.48Å; R419-E441 WeakPolarHBondContact CG-OE1 3.47Å; R419-E441 PolarHBondContact N-OE1 3.44Å |
| 420 | S | 88.3 | Confident | 88.1 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -124.1 | 156 | 175.2 | 61 | 0 | 0 | 0 | 0 | 108.4 | H418 V422 S438 Q439 T440 | H418-S420 WeakPolarHBondContact CB-O 3.13Å; S420-V422 PolarHBondContact O-N 3.27Å; S420-S438 WeakPolarHBondContact O-CB 3.36Å; S420-S438 WeakPolarHBondContact OG-CB 3.34Å; S420-S438 PolarHBondContact OG-OG 2.87Å; S420-S438 VanDerWaalsContact OG-OG 3.11Å; S420-Q439 PolarHBondContact OG-N 3.31Å; S420-T440 PolarHBondContact OG-N 2.92Å; S420-T440 PolarHBondContact OG-OG1 3.39Å |
| 421 | P | 88.1 | Confident | 88.3 | Confident | 47 Ų | 47 | 31 Ų | 31 | 31% | 0.305 | 18% | 0.178 | S | C | . | . | trans | -57 | 141.9 | -179.6 | 23.6 | -34.2 | 0 | 0 | 0 | 110 | I423 | P421-I423 PolarHBondContact O-N 2.83Š| ||
| 422 | V | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 127.8 | -179.5 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | H418 S420 T436 L437 T705 T757 | H418-V422 HydrophobicContact CB-CG2 4.2Å; H418-V422 WeakPolarHBondContact CD2-CG2 3.45Å; S420-V422 PolarHBondContact O-N 3.27Å; V422-T436 HydrophobicContact CG1-CG2 4.39Å; V422-L437 CarbonylContact C-O 3.57Å; V422-L437 WeakPolarHBondContact CG1-O 3.42Å; V422-T705 WeakPolarHBondContact O-CB 3.33Å; V422-T705 VanDerWaalsContact O-CG2 3.25Å; V422-T705 WeakPolarHBondContact O-CG2 3.27Å; V422-T705 PolarHBondContact O-OG1 3.22Å; V422-T757 HydrophobicContact CB-CG2 4.48Å; V422-T757 HydrophobicContact CG1-CG2 3.91Å |
| 423 | I | 91.1 | Very high | 88.4 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 25% | 0.251 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -42.8 | 179.5 | -68 | 172.1 | 0 | 0 | 0 | 110.8 | P421 L437 Q439 A482 S483 C706 | P421-I423 PolarHBondContact O-N 2.83Å; I423-L437 PolarHBondContact N-O 2.87Å; I423-Q439 HydrophobicContact CD1-CB 4.34Å; I423-Q439 HydrophobicContact CD1-CG 3.28Å; I423-Q439 HydrophobicContact CG1-CG 4.29Å; I423-A482 VanDerWaalsContact CD1-O 3.31Å; I423-A482 WeakPolarHBondContact CD1-O 3.48Å; I423-S483 WeakPolarHBondContact CG2-O 3.39Å; I423-C706 WeakPolarHBondContact O-CB 3.33Å |
| 424 | A | 92.1 | Very high | 88.7 | Confident | 13 Ų | 13 | 30.4 Ų | 30.4 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T436 L437 M485 | A424-T436 WeakPolarHBondContact O-CA 3.47Å; A424-L437 HydrophobicContact CB-CB 4.35Å; A424-L437 PolarHBondContact N-O 3.48Å; A424-L437 PolarHBondContact O-N 2.8Å; A424-M485 HydrophobicContact CB-CG 3.47Å; A424-M485 VanDerWaalsContact CB-CG 3.47Å; A424-M485 HydrophobicContact CB-SD 3.75Å |
| 425 | C | 93.1 | Very high | 89 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.1 | -179.7 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | F435 T436 C706 L755 T757 | C425-F435 CarbonylContact C-O 3.57Å; C425-F435 WeakPolarHBondContact CA-O 3.2Å; C425-T436 HydrophobicContact CB-CG2 4.3Å; C425-C706 VanDerWaalsContact SG-SG 3.64Å; C425-L755 HydrophobicContact CB-CD2 3.65Å; C425-L755 HydrophobicContact CB-CG 4.35Å; C425-T757 HydrophobicContact CB-CG2 3.69Å |
| 426 | S | 93.2 | Very high | 89.4 | Confident | 35 Ų | 35 | 24.9 Ų | 24.9 | 25% | 0.245 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 146.2 | 173.9 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | F435 M485 | S426-F435 PolarHBondContact N-O 3.36Å; S426-F435 PolarHBondContact O-N 3.42Å; S426-M485 VanDerWaalsContact CB-CE 3.4Å |
| 427 | F | 91.3 | Very high | 89.8 | Confident | 15 Ų | 15 | 22.5 Ų | 22.5 | 7% | 0.066 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 150.6 | 162.3 | -71.2 | -72.6 | 0 | 0 | 0 | 110.3 | V434 L487 A708 T710 L753 L755 | F427-V434 HydrophobicContact CD1-CG2 3.81Å; F427-V434 HydrophobicContact CE1-CG2 3.81Å; F427-L487 WeakPolarHBondContact O-CD1 3.31Å; F427-A708 HydrophobicContact CD2-CB 4.08Å; F427-A708 HydrophobicContact CE2-CB 4.31Å; F427-A708 WeakPolarHBondContact CE2-O 3.4Å; F427-T710 HydrophobicContact CB-CG2 4.37Å; F427-T710 HydrophobicContact CD1-CG2 4.11Å; F427-T710 HydrophobicContact CD2-CG2 3.54Å; F427-T710 HydrophobicContact CE1-CG2 4.23Å; F427-T710 HydrophobicContact CE2-CG2 3.66Å; F427-T710 HydrophobicContact CG-CG2 3.75Å; F427-T710 HydrophobicContact CZ-CG2 3.98Å; F427-L753 HydrophobicContact CZ-CB 4.2Å; F427-L755 HydrophobicContact CD2-CB 4.42Å; F427-L755 HydrophobicContact CE1-CB 4.11Å; F427-L755 HydrophobicContact CE2-CB 3.55Å; F427-L755 HydrophobicContact CZ-CB 3.39Å; F427-L755 HydrophobicContact CZ-CG 4.48Å |
| 428 | T | 91.5 | Very high | 90.1 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | trans | -70.9 | 156.1 | 161.4 | 53.9 | 0 | 0 | 0 | 0 | 109.6 | D430 N431 G433 L444 L487 D491 | T428-D430 VanDerWaalsContact CB-OD1 3.29Å; T428-D430 WeakPolarHBondContact CB-OD1 3.47Å; T428-D430 PolarHBondContact O-N 2.91Å; T428-D430 PolarHBondContact OG1-OD1 3.32Å; T428-N431 PolarHBondContact O-N 2.72Å; T428-N431 PolarHBondContact O-OD1 3.45Å; T428-G433 PolarHBondContact N-O 2.9Å; T428-G433 VanDerWaalsContact OG1-CA 3.24Å; T428-G433 WeakPolarHBondContact OG1-CA 3.48Å; T428-G433 PolarHBondContact OG1-N 2.65Å; T428-G433 PolarHBondContact OG1-O 3.19Å; T428-L444 HydrophobicContact CG2-CD1 4.03Å; T428-L487 HydrophobicContact CG2-CD1 4.37Å; T428-D491 WeakPolarHBondContact CB-OD2 3.38Å; T428-D491 HydrophobicContact CG2-CB 4.19Å | ||
| 429 | S | 85.5 | Confident | 90 | Very high | 74 Ų | 74 | 25.5 Ų | 25.5 | 52% | 0.517 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.8 | -179 | 68.2 | 0 | 0 | 0 | 0 | 114.5 | D491 | S429-D491 WeakPolarHBondContact CA-OD2 3.3Å; S429-D491 VanDerWaalsContact CB-OD2 3.29Å; S429-D491 WeakPolarHBondContact CB-OD2 3.4Å; S429-D491 VanDerWaalsContact N-CG 3.29Å; S429-D491 PolarHBondContact N-OD1 2.93Å; S429-D491 VanDerWaalsContact N-OD1 3.16Å; S429-D491 PolarHBondContact N-OD2 2.84Å; S429-D491 PolarHBondContact OG-OD2 3.48Å |
| 430 | D | 84 | Confident | 89.9 | Confident | 78 Ų | 78 | 26.2 Ų | 26.2 | 42% | 0.417 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.5 | 174.5 | 68.6 | -3.9 | 0 | 0 | 0 | 114 | T428 L432 | T428-D430 VanDerWaalsContact CB-OD1 3.29Å; T428-D430 WeakPolarHBondContact CB-OD1 3.47Å; T428-D430 PolarHBondContact O-N 2.91Å; T428-D430 PolarHBondContact OG1-OD1 3.32Å; D430-L432 HydrophobicContact CB-CG 4.4Å; D430-L432 PolarHBondContact O-N 2.77Å; D430-L432 VanDerWaalsContact O-N 3.14Å; D430-L432 PolarHBondContact OD1-N 3.47Å |
| 431 | N | 85.1 | Confident | 90 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 58.2 | 15.5 | -175.4 | -58.4 | -27.6 | 0 | 0 | 0 | 115.5 | T428 R447 T710 I711 T714 | T428-N431 PolarHBondContact O-N 2.72Å; T428-N431 PolarHBondContact O-OD1 3.45Å; N431-R447 PolarHBondContact O-NH1 2.9Å; N431-T710 HydrophobicContact CB-CG2 4.35Å; N431-T710 PolarHBondContact ND2-OG1 3.47Å; N431-T710 WeakPolarHBondContact OD1-CB 3.48Å; N431-T710 WeakPolarHBondContact OD1-CG2 3.43Å; N431-T710 PolarHBondContact OD1-OG1 3.12Å; N431-I711 PolarHBondContact ND2-O 3.3Å; N431-T714 VanDerWaalsContact ND2-CG2 3.25Å; N431-T714 WeakPolarHBondContact ND2-CG2 3.42Å |
| 432 | L | 86.5 | Confident | 90.2 | Very high | 73 Ų | 73 | 23.7 Ų | 23.7 | 38% | 0.382 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -92.7 | -27.4 | 176.6 | -62.9 | 179.9 | 0 | 0 | 0 | 112.1 | D430 R447 | D430-L432 HydrophobicContact CB-CG 4.4Å; D430-L432 PolarHBondContact O-N 2.77Å; D430-L432 VanDerWaalsContact O-N 3.14Å; D430-L432 PolarHBondContact OD1-N 3.47Å; L432-R447 WeakPolarHBondContact O-CB 3.49Å; L432-R447 PolarHBondContact O-N 3.38Å |
| 433 | G | 88.9 | Confident | 90.2 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 152.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T428 W445 | T428-G433 PolarHBondContact N-O 2.9Å; T428-G433 VanDerWaalsContact OG1-CA 3.24Å; T428-G433 WeakPolarHBondContact OG1-CA 3.48Å; T428-G433 PolarHBondContact OG1-N 2.65Å; T428-G433 PolarHBondContact OG1-O 3.19Å; G433-W445 CarbonylContact C-O 3.59Å; G433-W445 WeakPolarHBondContact CA-O 3.39Å |
| 434 | V | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.1 | 171.1 | 168.2 | 0 | 0 | 0 | 0 | 107.4 | F427 T436 W445 L755 I765 | F427-V434 HydrophobicContact CD1-CG2 3.81Å; F427-V434 HydrophobicContact CE1-CG2 3.81Å; V434-T436 HydrophobicContact CG1-CG2 3.97Å; V434-W445 HydrophobicContact CB-CB 4.25Å; V434-W445 PolarHBondContact N-O 2.72Å; V434-W445 PolarHBondContact O-N 3.25Å; V434-L755 HydrophobicContact CB-CD2 4.44Å; V434-L755 HydrophobicContact CG1-CD1 3.88Å; V434-L755 HydrophobicContact CG1-CD2 3.4Å; V434-L755 HydrophobicContact CG1-CG 4.31Å; V434-L755 HydrophobicContact CG2-CD1 4.34Å; V434-L755 HydrophobicContact CG2-CD2 4.29Å; V434-I765 HydrophobicContact CG2-CD1 4.18Å |
| 435 | F | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.4 | 175.2 | -169.4 | -100.1 | 0 | 0 | 0 | 110.1 | C425 S426 A442 L444 L456 M485 L487 V494 L508 | C425-F435 CarbonylContact C-O 3.57Å; C425-F435 WeakPolarHBondContact CA-O 3.2Å; S426-F435 PolarHBondContact N-O 3.36Å; S426-F435 PolarHBondContact O-N 3.42Å; F435-A442 HydrophobicContact CE1-CB 4.08Å; F435-A442 HydrophobicContact CE2-CB 4.15Å; F435-A442 HydrophobicContact CZ-CB 3.45Å; F435-A442 VanDerWaalsContact CZ-CB 3.45Å; F435-L444 HydrophobicContact CB-CD1 4.22Å; F435-L444 HydrophobicContact CD2-CB 4.1Å; F435-L444 HydrophobicContact CD2-CD1 4.17Å; F435-L456 HydrophobicContact CE2-CD1 4.47Å; F435-L456 HydrophobicContact CZ-CD1 4.35Å; F435-M485 HydrophobicContact CD1-CE 3.5Å; F435-M485 VanDerWaalsContact CD1-CE 3.5Å; F435-M485 HydrophobicContact CD1-SD 3.75Å; F435-M485 HydrophobicContact CE1-CE 4.22Å; F435-M485 HydrophobicContact CE1-SD 3.97Å; F435-M485 HydrophobicContact CG-CE 4.49Å; F435-L487 HydrophobicContact CB-CD1 3.97Å; F435-L487 HydrophobicContact CB-CD2 3.93Å; F435-L487 HydrophobicContact CB-CG 4.32Å; F435-L487 HydrophobicContact CD1-CD2 3.82Å; F435-L487 HydrophobicContact CD2-CD2 4.34Å; F435-L487 HydrophobicContact CE1-CD2 4.43Å; F435-L487 HydrophobicContact CG-CD2 3.76Å; F435-V494 HydrophobicContact CD1-CG1 4.29Å; F435-V494 HydrophobicContact CD2-CG2 4.49Å; F435-V494 HydrophobicContact CE1-CB 4.4Å; F435-V494 HydrophobicContact CE1-CG1 3.49Å; F435-V494 VanDerWaalsContact CE1-CG1 3.49Å; F435-V494 HydrophobicContact CE1-CG2 4.15Å; F435-V494 HydrophobicContact CE2-CG2 4.01Å; F435-V494 HydrophobicContact CZ-CB 4.2Å; F435-V494 HydrophobicContact CZ-CG1 3.72Å; F435-V494 HydrophobicContact CZ-CG2 3.8Å; F435-L508 HydrophobicContact CD2-CD2 4.12Å; F435-L508 HydrophobicContact CE2-CD2 3.52Å; F435-L508 HydrophobicContact CZ-CD2 4.36Å |
| 436 | T | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139.4 | -175.9 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | H418 V422 A424 C425 V434 A442 K443 W445 I763 | H418-T436 PolarHBondContact CE1-OG1 2.78Å; H418-T436 WeakPolarHBondContact NE2-CB 3.43Å; H418-T436 PolarHBondContact NE2-OG1 3.25Å; V422-T436 HydrophobicContact CG1-CG2 4.39Å; A424-T436 WeakPolarHBondContact O-CA 3.47Å; C425-T436 HydrophobicContact CB-CG2 4.3Å; V434-T436 HydrophobicContact CG1-CG2 3.97Å; T436-A442 CarbonylContact O-C 3.5Å; T436-A442 VanDerWaalsContact O-CA 3.32Å; T436-A442 WeakPolarHBondContact O-CA 3.45Å; T436-K443 PolarHBondContact N-O 2.83Å; T436-K443 PolarHBondContact O-N 2.77Å; T436-K443 PolarHBondContact OG1-O 3.29Å; T436-W445 PolarHBondContact OG1-NE1 3.16Å; T436-I763 HydrophobicContact CG2-CD1 3.87Å; T436-I763 HydrophobicContact CG2-CG1 4.39Å |
| 437 | L | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.6 | 179 | 177.2 | 70.3 | 0 | 0 | 0 | 109.7 | V422 I423 A424 A442 W458 A482 M485 I496 | V422-L437 CarbonylContact C-O 3.57Å; V422-L437 WeakPolarHBondContact CG1-O 3.42Å; I423-L437 PolarHBondContact N-O 2.87Å; A424-L437 HydrophobicContact CB-CB 4.35Å; A424-L437 PolarHBondContact N-O 3.48Å; A424-L437 PolarHBondContact O-N 2.8Å; L437-A442 HydrophobicContact CD1-CB 3.82Å; L437-W458 HydrophobicContact CD1-CH2 3.77Å; L437-A482 HydrophobicContact CD1-CB 3.8Å; L437-A482 HydrophobicContact CD2-CB 3.94Å; L437-A482 HydrophobicContact CG-CB 4.14Å; L437-M485 HydrophobicContact CB-CB 4.31Å; L437-M485 HydrophobicContact CB-CG 3.97Å; L437-M485 HydrophobicContact CB-SD 3.38Å; L437-M485 WeakPolarHBondContact CB-SD 3.4Å; L437-M485 HydrophobicContact CD2-CB 3.8Å; L437-M485 HydrophobicContact CD2-CG 4Å; L437-I496 HydrophobicContact CD1-CD1 3.88Å; L437-I496 HydrophobicContact CD1-CG1 4.39Å; L437-I496 HydrophobicContact CD1-CG2 4.12Å; L437-I496 HydrophobicContact CD2-CG2 4.24Å |
| 438 | S | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 177.6 | 165.1 | 78.7 | 0 | 0 | 0 | 0 | 109.7 | S420 T440 E441 | S420-S438 WeakPolarHBondContact O-CB 3.36Å; S420-S438 WeakPolarHBondContact OG-CB 3.34Å; S420-S438 PolarHBondContact OG-OG 2.87Å; S420-S438 VanDerWaalsContact OG-OG 3.11Å; S438-T440 PolarHBondContact O-N 3.18Å; S438-T440 PolarHBondContact OG-N 3.35Å; S438-E441 WeakPolarHBondContact CA-O 3.34Å; S438-E441 WeakPolarHBondContact CB-O 3.41Å; S438-E441 PolarHBondContact N-O 3.48Å; S438-E441 WeakPolarHBondContact OG-CG 3.31Å; S438-E441 PolarHBondContact OG-N 2.96Å; S438-E441 VanDerWaalsContact OG-N 3.11Å; S438-E441 PolarHBondContact OG-O 2.93Å |
| 439 | Q | 87.2 | Confident | 89.2 | Confident | 63 Ų | 63 | 35 Ų | 35 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -62.5 | -31 | 179.2 | -71.8 | -176.7 | -7.8 | 0 | 0 | 113.2 | S420 I423 W458 K481 A482 | S420-Q439 PolarHBondContact OG-N 3.31Å; I423-Q439 HydrophobicContact CD1-CB 4.34Å; I423-Q439 HydrophobicContact CD1-CG 3.28Å; I423-Q439 HydrophobicContact CG1-CG 4.29Å; Q439-W458 WeakPolarHBondContact O-CZ2 3.13Å; Q439-K481 WeakPolarHBondContact O-CA 3.33Å; Q439-A482 PolarHBondContact O-N 2.73Å; Q439-A482 VanDerWaalsContact O-N 3.12Å |
| 440 | T | 85.7 | Confident | 89.1 | Confident | 58 Ų | 58 | 32.7 Ų | 32.7 | 36% | 0.356 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -111.9 | -23.1 | -169.1 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | S420 S438 | S420-T440 PolarHBondContact OG-N 2.92Å; S420-T440 PolarHBondContact OG-OG1 3.39Å; S438-T440 PolarHBondContact O-N 3.18Å; S438-T440 PolarHBondContact OG-N 3.35Å |
| 441 | E | 89.7 | Confident | 89.2 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 155.3 | -174.7 | 60.8 | 179.1 | 166 | 0 | 0 | 111 | H418 R419 S438 K443 T455 L456 E457 | H418-E441 WeakPolarHBondContact CA-OE1 3.19Å; H418-E441 IonicContact ND1-OE1 3.94Å; R419-E441 WeakPolarHBondContact CG-OE1 3.47Å; R419-E441 PolarHBondContact N-OE1 3.44Å; S438-E441 WeakPolarHBondContact CA-O 3.34Å; S438-E441 WeakPolarHBondContact CB-O 3.41Å; S438-E441 PolarHBondContact N-O 3.48Å; S438-E441 WeakPolarHBondContact OG-CG 3.31Å; S438-E441 PolarHBondContact OG-N 2.96Å; S438-E441 VanDerWaalsContact OG-N 3.11Å; S438-E441 PolarHBondContact OG-O 2.93Å; E441-K443 VanDerWaalsContact CD-CE 3.49Å; E441-K443 IonicContact OE1-NZ 2.69Å; E441-K443 WeakPolarHBondContact OE2-CE 3.46Å; E441-K443 IonicContact OE2-NZ 3.53Å; E441-T455 HydrophobicContact CB-CG2 4.45Å; E441-T455 WeakPolarHBondContact OE2-CG2 3.16Å; E441-L456 CarbonylContact C-O 3.58Å; E441-L456 VanDerWaalsContact CA-O 3.25Å; E441-L456 WeakPolarHBondContact CA-O 3.32Å; E441-E457 HydrophobicContact CB-CG 4.14Å |
| 442 | A | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F435 T436 L437 T455 L456 W458 I496 | F435-A442 HydrophobicContact CE1-CB 4.08Å; F435-A442 HydrophobicContact CE2-CB 4.15Å; F435-A442 HydrophobicContact CZ-CB 3.45Å; F435-A442 VanDerWaalsContact CZ-CB 3.45Å; T436-A442 CarbonylContact O-C 3.5Å; T436-A442 VanDerWaalsContact O-CA 3.32Å; T436-A442 WeakPolarHBondContact O-CA 3.45Å; L437-A442 HydrophobicContact CD1-CB 3.82Å; A442-T455 CarbonylContact O-C 3.57Å; A442-T455 WeakPolarHBondContact O-CA 3.33Å; A442-L456 HydrophobicContact CB-CB 4.26Å; A442-L456 HydrophobicContact CB-CD1 4.44Å; A442-L456 PolarHBondContact N-O 3.17Å; A442-L456 PolarHBondContact O-N 2.97Å; A442-W458 HydrophobicContact CB-CH2 4.5Å; A442-W458 HydrophobicContact CB-CZ3 4.19Å; A442-I496 HydrophobicContact CB-CD1 4.12Å |
| 443 | K | 92.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.6 | -176.1 | -68.8 | -175.4 | 173 | -170.9 | 0 | 111.7 | S414 I415 G417 T436 E441 W445 A454 T455 | S414-K443 PolarHBondContact O-NZ 2.98Å; I415-K443 PolarHBondContact O-NZ 3.01Å; G417-K443 PolarHBondContact O-NZ 3.31Å; T436-K443 PolarHBondContact N-O 2.83Å; T436-K443 PolarHBondContact O-N 2.77Å; T436-K443 PolarHBondContact OG1-O 3.29Å; E441-K443 VanDerWaalsContact CD-CE 3.49Å; E441-K443 IonicContact OE1-NZ 2.69Å; E441-K443 WeakPolarHBondContact OE2-CE 3.46Å; E441-K443 IonicContact OE2-NZ 3.53Å; K443-W445 HydrophobicContact CB-CZ2 4.03Å; K443-W445 HydrophobicContact CD-CH2 4.24Å; K443-W445 HydrophobicContact CD-CZ2 3.67Å; K443-W445 HydrophobicContact CG-CZ2 4.48Å; K443-A454 CarbonylContact C-O 3.56Å; K443-A454 VanDerWaalsContact CA-O 3.31Å; K443-A454 WeakPolarHBondContact CA-O 3.28Å; K443-T455 HydrophobicContact CG-CG2 4Å |
| 444 | L | 92.8 | Very high | 89.5 | Confident | 27 Ų | 27 | 32.5 Ų | 32.5 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.8 | 169.2 | -177.3 | 65.4 | 0 | 0 | 0 | 109.2 | T428 F435 C452 L453 A454 | T428-L444 HydrophobicContact CG2-CD1 4.03Å; F435-L444 HydrophobicContact CB-CD1 4.22Å; F435-L444 HydrophobicContact CD2-CB 4.1Å; F435-L444 HydrophobicContact CD2-CD1 4.17Å; L444-C452 CarbonylContact O-C 3.59Å; L444-L453 HydrophobicContact CD2-CB 4.39Å; L444-L453 HydrophobicContact CD2-CD1 4.33Å; L444-L453 HydrophobicContact CG-CB 4.4Å; L444-L453 HydrophobicContact CG-CD1 4.36Å; L444-L453 PolarHBondContact O-N 2.8Å; L444-A454 HydrophobicContact CB-CB 4.21Å; L444-A454 PolarHBondContact N-O 3.31Å; L444-A454 PolarHBondContact O-N 2.79Å |
| 445 | W | 91.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.7 | -179.7 | -53.6 | 87.7 | 0 | 0 | 0 | 110.1 | Y16 F416 H418 G433 V434 T436 K443 A451 C452 I763 | Y16-W445 HydrophobicContact CD2-CD2 4.12Å; Y16-W445 AromaticContact CD2-CE3 3.75Å; Y16-W445 HydrophobicContact CD2-CE3 3.75Å; Y16-W445 HydrophobicContact CD2-CZ3 4.02Å; Y16-W445 HydrophobicContact CE2-CB 4.03Å; Y16-W445 AromaticContact CE2-CD2 3.64Å; Y16-W445 HydrophobicContact CE2-CD2 3.64Å; Y16-W445 AromaticContact CE2-CE3 3.66Å; Y16-W445 HydrophobicContact CE2-CE3 3.66Å; Y16-W445 AromaticContact CE2-CG 3.78Å; Y16-W445 HydrophobicContact CE2-CG 3.78Å; Y16-W445 HydrophobicContact CE2-CZ3 4.36Å; F416-W445 WeakPolarHBondContact O-CH2 3.17Å; H418-W445 AromaticContact NE2-NE1 3.85Å; G433-W445 CarbonylContact C-O 3.59Å; G433-W445 WeakPolarHBondContact CA-O 3.39Å; V434-W445 HydrophobicContact CB-CB 4.25Å; V434-W445 PolarHBondContact N-O 2.72Å; V434-W445 PolarHBondContact O-N 3.25Å; T436-W445 PolarHBondContact OG1-NE1 3.16Å; K443-W445 HydrophobicContact CB-CZ2 4.03Å; K443-W445 HydrophobicContact CD-CH2 4.24Å; K443-W445 HydrophobicContact CD-CZ2 3.67Å; K443-W445 HydrophobicContact CG-CZ2 4.48Å; W445-A451 WeakPolarHBondContact CA-O 3.37Å; W445-C452 HydrophobicContact CD2-CB 4.38Å; W445-C452 HydrophobicContact CE3-CB 3.83Å; W445-C452 HydrophobicContact CH2-CB 4.08Å; W445-C452 HydrophobicContact CZ3-CB 3.67Å; W445-I763 HydrophobicContact CD2-CD1 4.46Å; W445-I763 HydrophobicContact CZ2-CD1 3.94Å |
| 446 | S | 90.6 | Very high | 89.1 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 16% | 0.161 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 129.7 | 163.3 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | R448 S449 T450 A451 | S446-R448 VanDerWaalsContact C-N 3.33Å; S446-R448 PolarHBondContact O-N 3.05Å; S446-S449 VanDerWaalsContact CB-OG 3.3Å; S446-S449 WeakPolarHBondContact CB-OG 3.43Å; S446-T450 WeakPolarHBondContact O-CA 3.47Å; S446-T450 PolarHBondContact O-N 2.77Å; S446-A451 PolarHBondContact N-O 3.2Å |
| 447 | R | 85.9 | Confident | 88.5 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 16% | 0.162 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -37.5 | 175.1 | 170.3 | 172.4 | 159.6 | -137.3 | -0.8 | 112.3 | N431 L432 I765 E767 | N431-R447 PolarHBondContact O-NH1 2.9Å; L432-R447 WeakPolarHBondContact O-CB 3.49Å; L432-R447 PolarHBondContact O-N 3.38Å; R447-I765 HydrophobicContact CB-CD1 4.25Å; R447-I765 HydrophobicContact CG-CD1 3.81Å; R447-E767 IonicContact CZ-OE1 3.2Å; R447-E767 VanDerWaalsContact CZ-OE1 3.24Å; R447-E767 IonicContact NE-OE1 3.71Å; R447-E767 PolarHBondContact NE-OE1 2.7Å; R447-E767 IonicContact NH2-OE1 3.42Å; R447-E767 PolarHBondContact NH2-OE1 3Å; R447-E767 IonicContact NH2-OE2 3.26Å |
| 448 | R | 85.2 | Confident | 87.7 | Confident | 210 Ų | 210 | 39.8 Ų | 39.8 | 79% | 0.792 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -48.1 | -175.2 | -67.7 | -174.4 | -177.5 | -176 | 0.5 | 112.7 | S446 | S446-R448 VanDerWaalsContact C-N 3.33Å; S446-R448 PolarHBondContact O-N 3.05Å |
| 449 | S | 84.6 | Confident | 86.2 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -11.4 | -177.2 | 65.3 | 0 | 0 | 0 | 0 | 113.4 | S446 A451 | S446-S449 VanDerWaalsContact CB-OG 3.3Å; S446-S449 WeakPolarHBondContact CB-OG 3.43Å; S449-A451 PolarHBondContact O-N 2.88Å; S449-A451 WeakPolarHBondContact OG-CB 3.48Å; S449-A451 PolarHBondContact OG-N 3.07Å |
| 450 | T | 83.4 | Confident | 84.2 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | trans | 57.6 | 12.9 | -171.4 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | A14 Y16 K58 S446 | A14-T450 HydrophobicContact CB-CG2 3.85Å; Y16-T450 HydrophobicContact CD1-CG2 3.73Å; Y16-T450 HydrophobicContact CE1-CG2 3.96Å; Y16-T450 HydrophobicContact CG-CG2 4.49Å; K58-T450 PolarHBondContact NZ-OG1 2.84Å; S446-T450 WeakPolarHBondContact O-CA 3.47Å; S446-T450 PolarHBondContact O-N 2.77Å | ||
| 451 | A | 86.9 | Confident | 81.5 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 26% | 0.256 | 26% | 0.26 | S | S | . | . | trans | -85.2 | 146.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W445 S446 S449 L453 | W445-A451 WeakPolarHBondContact CA-O 3.37Å; S446-A451 PolarHBondContact N-O 3.2Å; S449-A451 PolarHBondContact O-N 2.88Å; S449-A451 WeakPolarHBondContact OG-CB 3.48Å; S449-A451 PolarHBondContact OG-N 3.07Å; A451-L453 PolarHBondContact O-N 3.4Å | ||
| 452 | C | 88.4 | Confident | 78.7 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.8 | 169.8 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | I415 L444 W445 | I415-C452 HydrophobicContact CG2-CB 3.83Å; I415-C452 WeakPolarHBondContact O-CB 3.32Å; L444-C452 CarbonylContact O-C 3.59Å; W445-C452 HydrophobicContact CD2-CB 4.38Å; W445-C452 HydrophobicContact CE3-CB 3.83Å; W445-C452 HydrophobicContact CH2-CB 4.08Å; W445-C452 HydrophobicContact CZ3-CB 3.67Å |
| 453 | L | 88.9 | Confident | 75.7 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 53% | 0.534 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -42.7 | -179.9 | -62.9 | 177 | 0 | 0 | 0 | 112.1 | L444 A451 | L444-L453 HydrophobicContact CD2-CB 4.39Å; L444-L453 HydrophobicContact CD2-CD1 4.33Å; L444-L453 HydrophobicContact CG-CB 4.4Å; L444-L453 HydrophobicContact CG-CD1 4.36Å; L444-L453 PolarHBondContact O-N 2.8Å; A451-L453 PolarHBondContact O-N 3.4Å |
| 454 | A | 88.7 | Confident | 72.6 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 142.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | K443 L444 | K443-A454 CarbonylContact C-O 3.56Å; K443-A454 VanDerWaalsContact CA-O 3.31Å; K443-A454 WeakPolarHBondContact CA-O 3.28Å; L444-A454 HydrophobicContact CB-CB 4.21Å; L444-A454 PolarHBondContact N-O 3.31Å; L444-A454 PolarHBondContact O-N 2.79Å |
| 455 | T | 90 | Very high | 69.5 | Low | 38 Ų | 38 | 77.7 Ų | 77.7 | 23% | 0.233 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130 | 172.3 | -51.3 | 0 | 0 | 0 | 0 | 108 | E441 A442 K443 E457 | E441-T455 HydrophobicContact CB-CG2 4.45Å; E441-T455 WeakPolarHBondContact OE2-CG2 3.16Å; A442-T455 CarbonylContact O-C 3.57Å; A442-T455 WeakPolarHBondContact O-CA 3.33Å; K443-T455 HydrophobicContact CG-CG2 4Å; T455-E457 HydrophobicContact CG2-CG 3.98Å |
| 456 | L | 87.7 | Confident | 66.6 | Low | 3 Ų | 3 | 85.9 Ų | 85.9 | 2% | 0.016 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.2 | 171 | -60.9 | 175.8 | 0 | 0 | 0 | 107.6 | F435 E441 A442 F506 L508 K511 | F435-L456 HydrophobicContact CE2-CD1 4.47Å; F435-L456 HydrophobicContact CZ-CD1 4.35Å; E441-L456 CarbonylContact C-O 3.58Å; E441-L456 VanDerWaalsContact CA-O 3.25Å; E441-L456 WeakPolarHBondContact CA-O 3.32Å; A442-L456 HydrophobicContact CB-CB 4.26Å; A442-L456 HydrophobicContact CB-CD1 4.44Å; A442-L456 PolarHBondContact N-O 3.17Å; A442-L456 PolarHBondContact O-N 2.97Å; L456-F506 HydrophobicContact CD1-CB 3.86Å; L456-F506 HydrophobicContact CD1-CD1 4.26Å; L456-F506 HydrophobicContact CD1-CG 4.05Å; L456-F506 HydrophobicContact CD2-CD1 4.42Å; L456-L508 HydrophobicContact CD1-CD2 3.78Å; L456-L508 HydrophobicContact CG-CD2 4.36Å; L456-K511 HydrophobicContact CD2-CB 3.91Å; L456-K511 HydrophobicContact CD2-CG 4.29Å |
| 457 | E | 81.8 | Confident | 63.5 | Low | 99 Ų | 99 | 91.5 Ų | 91.5 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.2 | 172.1 | -63.7 | -169.3 | -166.3 | 0 | 0 | 109.3 | E441 T455 K459 | E441-E457 HydrophobicContact CB-CG 4.14Å; T455-E457 HydrophobicContact CG2-CG 3.98Å; E457-K459 IonicContact OE2-NZ 3.87Å; E457-K459 PolarHBondContact OE2-NZ 3.27Å |
| 458 | W | 76.1 | Confident | 60.7 | Low | 13 Ų | 13 | 96.4 Ų | 96.4 | 5% | 0.049 | 50% | 0.497 | C | S | . | . | trans | -114.3 | 79.1 | 173.8 | 51.6 | 89.6 | 0 | 0 | 0 | 109 | L437 Q439 A442 L478 P479 A482 I496 Y498 F506 | L437-W458 HydrophobicContact CD1-CH2 3.77Å; Q439-W458 WeakPolarHBondContact O-CZ2 3.13Å; A442-W458 HydrophobicContact CB-CH2 4.5Å; A442-W458 HydrophobicContact CB-CZ3 4.19Å; W458-L478 HydrophobicContact CB-CD1 4.45Å; W458-P479 VanDerWaalsContact CD1-O 3.28Å; W458-P479 PolarHBondContact NE1-O 2.62Å; W458-A482 HydrophobicContact CH2-CB 4.01Å; W458-A482 HydrophobicContact CZ2-CB 3.63Å; W458-I496 HydrophobicContact CH2-CD1 4.35Å; W458-I496 HydrophobicContact CZ3-CD1 4.01Å; W458-Y498 AromaticContact CD1-CE1 3.84Å; W458-Y498 HydrophobicContact CD2-CE1 4.29Å; W458-Y498 VanDerWaalsContact CD2-OH 3.27Å; W458-Y498 AromaticContact CE2-CE1 3.72Å; W458-Y498 HydrophobicContact CG-CE1 4.38Å; W458-Y498 HydrophobicContact CZ2-CE1 4.16Å; W458-Y498 AromaticContact NE1-CE1 3.47Å; W458-F506 HydrophobicContact CE3-CZ 4.01Å | ||
| 459 | K | 61.2 | Low | 58 | Low | 133 Ų | 133 | 91 Ų | 91 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | trans | -101.2 | 136.4 | 172.3 | -74 | 176.2 | -177.2 | 141.9 | 0 | 109.9 | E457 H461 | E457-K459 IonicContact OE2-NZ 3.87Å; E457-K459 PolarHBondContact OE2-NZ 3.27Å; K459-H461 PolarHBondContact O-N 3.36Å | ||
| 460 | N | 43.7 | Very low | 55.3 | Low | 65 Ų | 65 | 95 Ų | 95 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | trans | -60.3 | 104.3 | 170.7 | -71.9 | -31.1 | 0 | 0 | 0 | 109.8 | S462 P477 L478 | N460-S462 PolarHBondContact O-N 3.44Å; N460-P477 WeakPolarHBondContact ND2-CB 3.38Å; N460-P477 WeakPolarHBondContact OD1-CA 3.45Å; N460-L478 PolarHBondContact OD1-N 3.29Å | ||
| 461 | H | 30.6 | Very low | 52.6 | Low | 193 Ų | 193 | 101.5 Ų | 101.5 | 89% | 0.894 | 54% | 0.537 | S | S | * | . | trans | -72.6 | 66 | 166.4 | -87.2 | -61.7 | 0 | 0 | 0 | 110 | K459 | K459-H461 PolarHBondContact O-N 3.36Š| ||
| 462 | S | 30 | Very low | 49.7 | Very low | 100 Ų | 100 | 106.4 Ų | 106.4 | 70% | 0.699 | 57% | 0.566 | S | S | * | * | trans | -95.8 | 18.5 | 174.2 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | N460 | N460-S462 PolarHBondContact O-N 3.44Š| ||
| 463 | N | 28.8 | Very low | 46.9 | Very low | 158 Ų | 158 | 112 Ų | 112 | 85% | 0.845 | 59% | 0.594 | S | S | * | * | trans | -125.2 | 32.7 | -178.4 | -92.4 | -14.8 | 0 | 0 | 0 | 113.9 | ||||
| 464 | S | 27.8 | Very low | 44.3 | Very low | 104 Ų | 104 | 112.2 Ų | 112.2 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | trans | -98.5 | 93.4 | 159.3 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | H466 | S464-H466 VanDerWaalsContact C-N 3.3Å; S464-H466 PolarHBondContact O-N 3.24Å; S464-H466 VanDerWaalsContact O-N 3.07Å | ||
| 465 | K | 26.7 | Very low | 41.4 | Very low | 197 Ų | 197 | 119.5 Ų | 119.5 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | trans | -68.4 | 91.9 | 158.1 | -74.2 | 179.7 | 175.6 | 179.6 | 0 | 107.3 | ||||
| 466 | H | 31.1 | Very low | 39.1 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 81% | 0.806 | 66% | 0.656 | S | S | * | * | trans | -155.1 | 120.4 | 149.8 | -105.1 | -64.4 | 0 | 0 | 0 | 110.9 | S464 | S464-H466 VanDerWaalsContact C-N 3.3Å; S464-H466 PolarHBondContact O-N 3.24Å; S464-H466 VanDerWaalsContact O-N 3.07Å | ||
| 467 | N | 25.3 | Very low | 37.4 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | trans | -52.3 | 135.6 | 170.2 | -55.1 | -31.8 | 0 | 0 | 0 | 111 | ||||
| 468 | N | 28.3 | Very low | 36 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | 175.6 | 126.8 | 116.4 | -84.3 | -12.6 | 0 | 0 | 0 | 110.6 | |||||
| 469 | S | 27.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 124 Ų | 124 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | trans | 40 | 117.6 | 146.9 | 56.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 470 | D | 27.5 | Very low | 35.4 | Very low | 151 Ų | 151 | 123.2 Ų | 123.2 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | 71.2 | 82.2 | 137.4 | -49.2 | -23.5 | 0 | 0 | 0 | 117.6 | ||||
| 471 | E | 27.8 | Very low | 37.3 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | trans | -167.6 | 138.2 | 131.6 | -80.9 | -135.2 | 156 | 0 | 0 | 110.4 | L473 | E471-L473 HydrophobicContact CB-CD1 3.89Å; E471-L473 PolarHBondContact O-N 3.18Å; E471-L473 VanDerWaalsContact O-N 3.12Å | ||
| 472 | P | 26.5 | Very low | 40.1 | Very low | 134 Ų | 134 | 115.5 Ų | 115.5 | 87% | 0.87 | 64% | 0.636 | S | S | * | * | trans | -85.6 | 82.7 | 179.3 | 35.4 | -30.3 | 0 | 0 | 0 | 110 | ||||
| 473 | L | 27.7 | Very low | 42.9 | Very low | 137 Ų | 137 | 111.5 Ų | 111.5 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | trans | -101.9 | 118.6 | 170.1 | -75.5 | 130.3 | 0 | 0 | 0 | 109.6 | E471 N475 | E471-L473 HydrophobicContact CB-CD1 3.89Å; E471-L473 PolarHBondContact O-N 3.18Å; E471-L473 VanDerWaalsContact O-N 3.12Å; L473-N475 PolarHBondContact O-N 3.32Å | ||
| 474 | S | 34.5 | Very low | 45.8 | Very low | 106 Ų | 106 | 104.4 Ų | 104.4 | 74% | 0.741 | 57% | 0.571 | S | S | * | * | trans | -40.7 | 122.5 | -167.9 | 55.5 | 0 | 0 | 0 | 0 | 116.6 | N476 | S474-N476 VanDerWaalsContact C-N 3.28Å; S474-N476 PolarHBondContact O-N 3.29Å | ||
| 475 | N | 28 | Very low | 48.9 | Very low | 162 Ų | 162 | 100.3 Ų | 100.3 | 87% | 0.866 | 54% | 0.541 | S | S | * | . | trans | -75.6 | 56.8 | 172.2 | -77.9 | -38.2 | 0 | 0 | 0 | 113.5 | L473 | L473-N475 PolarHBondContact O-N 3.32Š| ||
| 476 | N | 43.3 | Very low | 52.1 | Low | 101 Ų | 101 | 91.9 Ų | 91.9 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 116.2 | 171.8 | -78 | -4.9 | 0 | 0 | 0 | 110.3 | S474 L478 D518 | S474-N476 VanDerWaalsContact C-N 3.28Å; S474-N476 PolarHBondContact O-N 3.29Å; N476-L478 PolarHBondContact O-N 3.09Å; N476-D518 PolarHBondContact ND2-OD2 3.25Å; N476-D518 VanDerWaalsContact ND2-OD2 3.11Å |
| 477 | P | 50.2 | Low | 54.9 | Low | 94 Ų | 94 | 84.3 Ų | 84.3 | 61% | 0.61 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 124.9 | 175.6 | 25.8 | -30.8 | 0 | 0 | 0 | 109.4 | N460 | N460-P477 WeakPolarHBondContact ND2-CB 3.38Å; N460-P477 WeakPolarHBondContact OD1-CA 3.45Å |
| 478 | L | 53.5 | Low | 58 | Low | 44 Ų | 44 | 77.7 Ų | 77.7 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 137 | 175.8 | -76.7 | 149.4 | 0 | 0 | 0 | 110 | W458 N460 N476 I504 I516 | W458-L478 HydrophobicContact CB-CD1 4.45Å; N460-L478 PolarHBondContact OD1-N 3.29Å; N476-L478 PolarHBondContact O-N 3.09Å; L478-I504 HydrophobicContact CD2-CD1 3.99Å; L478-I516 HydrophobicContact CD2-CD1 4.1Å |
| 479 | P | 58.9 | Low | 60.6 | Low | 8 Ų | 8 | 73.6 Ų | 73.6 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -69 | 137.4 | -175.2 | 28.1 | -37.4 | 0 | 0 | 0 | 112.5 | W458 K481 Y498 T500 Q502 I504 | W458-P479 VanDerWaalsContact CD1-O 3.28Å; W458-P479 PolarHBondContact NE1-O 2.62Å; P479-K481 PolarHBondContact O-N 3.02Å; P479-Y498 HydrophobicContact CB-CD1 3.78Å; P479-Y498 HydrophobicContact CB-CE1 4.44Å; P479-Y498 HydrophobicContact CB-CG 4.04Å; P479-Y498 HydrophobicContact CG-CD1 3.4Å; P479-Y498 HydrophobicContact CG-CD2 3.97Å; P479-Y498 HydrophobicContact CG-CE1 3.78Å; P479-Y498 HydrophobicContact CG-CE2 4.34Å; P479-Y498 HydrophobicContact CG-CG 3.48Å; P479-Y498 VanDerWaalsContact CG-CG 3.48Å; P479-Y498 WeakPolarHBondContact O-CD1 3.44Å; P479-Y498 VanDerWaalsContact O-CE1 3.32Å; P479-Y498 WeakPolarHBondContact O-CE1 3.23Å; P479-T500 HydrophobicContact CB-CG2 3.65Å; P479-T500 WeakPolarHBondContact CB-OG1 3.35Å; P479-Q502 HydrophobicContact CG-CB 4.43Å; P479-I504 HydrophobicContact CG-CD1 4.35Å |
| 480 | N | 65.1 | Low | 63.3 | Low | 116 Ų | 116 | 71.9 Ų | 71.9 | 62% | 0.62 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -80.5 | -12 | -164.9 | -72.4 | -25 | 0 | 0 | 0 | 115.8 | ||
| 481 | K | 83.4 | Confident | 66 | Low | 97 Ų | 97 | 66.2 Ų | 66.2 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | trans | -138.7 | 111.4 | -171.8 | -66.1 | 179.4 | 178.1 | -178.3 | 0 | 112.5 | Q439 P479 Y498 E499 | Q439-K481 WeakPolarHBondContact O-CA 3.33Å; P479-K481 PolarHBondContact O-N 3.02Å; K481-Y498 WeakPolarHBondContact O-CA 3.43Å; K481-Y498 WeakPolarHBondContact O-CD1 3.49Å; K481-E499 HydrophobicContact CB-CB 4.29Å; K481-E499 HydrophobicContact CB-CG 3.99Å; K481-E499 WeakPolarHBondContact CD-OE2 3.4Å; K481-E499 IonicContact NZ-OE2 3.79Å; K481-E499 PolarHBondContact O-N 3.13Å | ||
| 482 | A | 89.9 | Confident | 68.9 | Low | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 146.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | I423 L437 Q439 W458 I496 Y498 | I423-A482 VanDerWaalsContact CD1-O 3.31Å; I423-A482 WeakPolarHBondContact CD1-O 3.48Å; L437-A482 HydrophobicContact CD1-CB 3.8Å; L437-A482 HydrophobicContact CD2-CB 3.94Å; L437-A482 HydrophobicContact CG-CB 4.14Å; Q439-A482 PolarHBondContact O-N 2.73Å; Q439-A482 VanDerWaalsContact O-N 3.12Å; W458-A482 HydrophobicContact CH2-CB 4.01Å; W458-A482 HydrophobicContact CZ2-CB 3.63Å; A482-I496 HydrophobicContact CB-CG2 3.65Å; A482-Y498 HydrophobicContact CB-CD1 4.42Å; A482-Y498 HydrophobicContact CB-CE1 4.29Å |
| 483 | S | 87.9 | Confident | 72 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -44.6 | -175 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | I423 G497 V525 | I423-S483 WeakPolarHBondContact CG2-O 3.39Å; S483-G497 PolarHBondContact N-O 3.3Å; S483-V525 WeakPolarHBondContact CB-O 3.31Å; S483-V525 PolarHBondContact OG-O 3.35Å |
| 484 | S | 90.6 | Very high | 75 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.4 | -175.7 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | I496 G497 V525 I528 | S484-I496 WeakPolarHBondContact O-CA 3.09Å; S484-G497 PolarHBondContact N-O 3.24Å; S484-G497 PolarHBondContact O-N 2.98Å; S484-V525 PolarHBondContact OG-O 2.94Å; S484-I528 VanDerWaalsContact OG-CD1 3.25Å; S484-I528 WeakPolarHBondContact OG-CD1 3.4Å; S484-I528 WeakPolarHBondContact OG-CG1 3.23Å |
| 485 | M | 93.2 | Very high | 77.9 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.5 | 176.9 | 52.8 | 171.6 | -98.2 | 0 | 0 | 112.3 | A424 S426 F435 L437 V495 | A424-M485 HydrophobicContact CB-CG 3.47Å; A424-M485 VanDerWaalsContact CB-CG 3.47Å; A424-M485 HydrophobicContact CB-SD 3.75Å; S426-M485 VanDerWaalsContact CB-CE 3.4Å; F435-M485 HydrophobicContact CD1-CE 3.5Å; F435-M485 VanDerWaalsContact CD1-CE 3.5Å; F435-M485 HydrophobicContact CD1-SD 3.75Å; F435-M485 HydrophobicContact CE1-CE 4.22Å; F435-M485 HydrophobicContact CE1-SD 3.97Å; F435-M485 HydrophobicContact CG-CE 4.49Å; L437-M485 HydrophobicContact CB-CB 4.31Å; L437-M485 HydrophobicContact CB-CG 3.97Å; L437-M485 HydrophobicContact CB-SD 3.38Å; L437-M485 WeakPolarHBondContact CB-SD 3.4Å; L437-M485 HydrophobicContact CD2-CB 3.8Å; L437-M485 HydrophobicContact CD2-CG 4Å; M485-V495 CarbonylContact C-O 3.56Å; M485-V495 WeakPolarHBondContact CA-O 3.27Å |
| 486 | V | 93 | Very high | 80.9 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 137.7 | 165.9 | 125.4 | 0 | 0 | 0 | 0 | 109.2 | V495 I528 V530 I537 | V486-V495 PolarHBondContact N-O 3.43Å; V486-V495 PolarHBondContact O-N 2.87Å; V486-I528 HydrophobicContact CB-CB 4.26Å; V486-I528 HydrophobicContact CB-CG2 3.75Å; V486-I528 HydrophobicContact CG1-CG2 4.13Å; V486-I528 HydrophobicContact CG2-CB 4.33Å; V486-I528 HydrophobicContact CG2-CG2 4.05Å; V486-I528 VanDerWaalsContact CG2-O 3.26Å; V486-I528 WeakPolarHBondContact CG2-O 3.15Å; V486-V530 HydrophobicContact CB-CG2 4.21Å; V486-V530 HydrophobicContact CG1-CG2 3.24Å; V486-V530 HydrophobicContact CG2-CG2 3.89Å; V486-I537 HydrophobicContact CG1-CD1 4.21Å |
| 487 | L | 91.6 | Very high | 83.3 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.7 | 169.6 | -67.3 | 179.7 | 0 | 0 | 0 | 109.3 | F427 T428 F435 V494 | F427-L487 WeakPolarHBondContact O-CD1 3.31Å; T428-L487 HydrophobicContact CG2-CD1 4.37Å; F435-L487 HydrophobicContact CB-CD1 3.97Å; F435-L487 HydrophobicContact CB-CD2 3.93Å; F435-L487 HydrophobicContact CB-CG 4.32Å; F435-L487 HydrophobicContact CD1-CD2 3.82Å; F435-L487 HydrophobicContact CD2-CD2 4.34Å; F435-L487 HydrophobicContact CE1-CD2 4.43Å; F435-L487 HydrophobicContact CG-CD2 3.76Å; L487-V494 HydrophobicContact CD2-CB 4.32Å; L487-V494 HydrophobicContact CD2-CG1 4.21Å; L487-V494 HydrophobicContact CD2-CG2 3.43Å; L487-V494 VanDerWaalsContact CD2-CG2 3.43Å |
| 488 | A | 89.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 150.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G490 D491 H493 F551 | A488-G490 PolarHBondContact O-N 3.32Å; A488-D491 PolarHBondContact O-N 3.02Å; A488-D491 VanDerWaalsContact O-N 3.09Å; A488-H493 HydrophobicContact CB-CB 3.89Å; A488-H493 VanDerWaalsContact CB-O 3.29Å; A488-H493 WeakPolarHBondContact CB-O 3.47Å; A488-H493 PolarHBondContact N-O 3.03Å; A488-F551 HydrophobicContact CB-CE1 3.76Å; A488-F551 HydrophobicContact CB-CZ 3.67Å |
| 489 | P | 83.9 | Confident | 86.9 | Confident | 60 Ų | 60 | 32.8 Ų | 32.8 | 39% | 0.39 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.1 | 176.7 | 29.4 | -39.7 | 0 | 0 | 0 | 111.5 | K534 F551 | P489-K534 HydrophobicContact CB-CB 3.82Å; P489-K534 HydrophobicContact CB-CD 3.98Å; P489-K534 HydrophobicContact CB-CG 4.32Å; P489-K534 HydrophobicContact CG-CB 3.99Å; P489-K534 WeakPolarHBondContact CG-O 3.28Å; P489-F551 HydrophobicContact CG-CE2 4.21Å |
| 490 | G | 83.1 | Confident | 88.2 | Confident | 59 Ų | 59 | 36.1 Ų | 36.1 | 61% | 0.608 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90 | 4.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A488 R492 | A488-G490 PolarHBondContact O-N 3.32Å; G490-R492 PolarHBondContact O-N 3.11Å |
| 491 | D | 84.1 | Confident | 89.3 | Confident | 32 Ų | 32 | 30.6 Ų | 30.6 | 17% | 0.171 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 56.2 | 14.1 | 167.1 | -51.4 | -41.6 | 0 | 0 | 0 | 116.4 | T428 S429 A488 L508 | T428-D491 WeakPolarHBondContact CB-OD2 3.38Å; T428-D491 HydrophobicContact CG2-CB 4.19Å; S429-D491 WeakPolarHBondContact CA-OD2 3.3Å; S429-D491 VanDerWaalsContact CB-OD2 3.29Å; S429-D491 WeakPolarHBondContact CB-OD2 3.4Å; S429-D491 VanDerWaalsContact N-CG 3.29Å; S429-D491 PolarHBondContact N-OD1 2.93Å; S429-D491 VanDerWaalsContact N-OD1 3.16Å; S429-D491 PolarHBondContact N-OD2 2.84Å; S429-D491 PolarHBondContact OG-OD2 3.48Å; A488-D491 PolarHBondContact O-N 3.02Å; A488-D491 VanDerWaalsContact O-N 3.09Å; D491-L508 VanDerWaalsContact O-CD1 3.22Å; D491-L508 WeakPolarHBondContact O-CD1 3.39Å |
| 492 | R | 88.7 | Confident | 89.6 | Confident | 131 Ų | 131 | 27.5 Ų | 27.5 | 49% | 0.494 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -87 | -36.8 | 176.3 | 178.1 | 172.9 | 172 | 168.5 | -2.4 | 112.3 | G490 D507 L508 | G490-R492 PolarHBondContact O-N 3.11Å; R492-D507 VanDerWaalsContact CG-OD1 3.25Å; R492-D507 WeakPolarHBondContact CG-OD1 3.37Å; R492-D507 IonicContact CZ-OD2 3.41Å; R492-D507 IonicContact NE-OD1 3.28Å; R492-D507 PolarHBondContact NE-OD1 2.9Å; R492-D507 IonicContact NE-OD2 3.09Å; R492-D507 PolarHBondContact NE-OD2 2.46Å; R492-D507 VanDerWaalsContact NE-OD2 3.09Å; R492-D507 IonicContact NH2-OD2 2.82Å; R492-D507 PolarHBondContact NH2-OD2 3.17Å; R492-L508 WeakPolarHBondContact O-CB 3.41Å; R492-L508 PolarHBondContact O-N 2.81Å |
| 493 | H | 91.4 | Very high | 89.6 | Confident | 29 Ų | 29 | 27.6 Ų | 27.6 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 149.1 | -175.3 | -52.7 | 83.4 | 0 | 0 | 0 | 111 | A488 L505 F506 L563 | A488-H493 HydrophobicContact CB-CB 3.89Å; A488-H493 VanDerWaalsContact CB-O 3.29Å; A488-H493 WeakPolarHBondContact CB-O 3.47Å; A488-H493 PolarHBondContact N-O 3.03Å; H493-L505 HydrophobicContact CB-CD1 3.9Å; H493-F506 CarbonylContact C-O 3.51Å; H493-F506 WeakPolarHBondContact CA-O 3.31Å; H493-F506 WeakPolarHBondContact CB-O 3.47Å; H493-L563 HydrophobicContact CB-CD2 4.15Å |
| 494 | V | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136 | 178 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | F435 L487 I496 L505 F506 L508 | F435-V494 HydrophobicContact CD1-CG1 4.29Å; F435-V494 HydrophobicContact CD2-CG2 4.49Å; F435-V494 HydrophobicContact CE1-CB 4.4Å; F435-V494 HydrophobicContact CE1-CG1 3.49Å; F435-V494 VanDerWaalsContact CE1-CG1 3.49Å; F435-V494 HydrophobicContact CE1-CG2 4.15Å; F435-V494 HydrophobicContact CE2-CG2 4.01Å; F435-V494 HydrophobicContact CZ-CB 4.2Å; F435-V494 HydrophobicContact CZ-CG1 3.72Å; F435-V494 HydrophobicContact CZ-CG2 3.8Å; L487-V494 HydrophobicContact CD2-CB 4.32Å; L487-V494 HydrophobicContact CD2-CG1 4.21Å; L487-V494 HydrophobicContact CD2-CG2 3.43Å; L487-V494 VanDerWaalsContact CD2-CG2 3.43Å; V494-I496 HydrophobicContact CG1-CD1 4.45Å; V494-I496 HydrophobicContact CG1-CG1 3.92Å; V494-L505 WeakPolarHBondContact O-CA 3.48Å; V494-F506 PolarHBondContact N-O 3.38Å; V494-F506 PolarHBondContact O-N 3.32Å; V494-L508 HydrophobicContact CG2-CD1 3.53Å; V494-L508 HydrophobicContact CG2-CD2 3.78Å; V494-L508 HydrophobicContact CG2-CG 3.65Å |
| 495 | V | 93.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.7 | 171.1 | -174 | 0 | 0 | 0 | 0 | 108.7 | M485 V486 L503 I504 L505 I528 I537 L565 | M485-V495 CarbonylContact C-O 3.56Å; M485-V495 WeakPolarHBondContact CA-O 3.27Å; V486-V495 PolarHBondContact N-O 3.43Å; V486-V495 PolarHBondContact O-N 2.87Å; V495-L503 HydrophobicContact CG1-CD2 4.23Å; V495-I504 WeakPolarHBondContact CA-O 3.35Å; V495-L505 HydrophobicContact CG2-CD1 3.64Å; V495-I528 HydrophobicContact CG1-CD1 4.34Å; V495-I537 HydrophobicContact CB-CD1 4.15Å; V495-I537 HydrophobicContact CG1-CD1 4.43Å; V495-I537 HydrophobicContact CG2-CD1 3.48Å; V495-I537 VanDerWaalsContact CG2-CD1 3.48Å; V495-L565 HydrophobicContact CG1-CD1 3.93Å; V495-L565 HydrophobicContact CG2-CD1 3.85Å |
| 496 | I | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.8 | 178.4 | -59 | 178.7 | 0 | 0 | 0 | 108.5 | L437 A442 W458 A482 S484 V494 Y498 I504 F506 | L437-I496 HydrophobicContact CD1-CD1 3.88Å; L437-I496 HydrophobicContact CD1-CG1 4.39Å; L437-I496 HydrophobicContact CD1-CG2 4.12Å; L437-I496 HydrophobicContact CD2-CG2 4.24Å; A442-I496 HydrophobicContact CB-CD1 4.12Å; W458-I496 HydrophobicContact CH2-CD1 4.35Å; W458-I496 HydrophobicContact CZ3-CD1 4.01Å; A482-I496 HydrophobicContact CB-CG2 3.65Å; S484-I496 WeakPolarHBondContact O-CA 3.09Å; V494-I496 HydrophobicContact CG1-CD1 4.45Å; V494-I496 HydrophobicContact CG1-CG1 3.92Å; I496-Y498 HydrophobicContact CB-CE2 4.22Å; I496-Y498 HydrophobicContact CG2-CD2 4.38Å; I496-Y498 HydrophobicContact CG2-CE2 3.83Å; I496-I504 PolarHBondContact N-O 2.73Å; I496-I504 PolarHBondContact O-N 2.97Å; I496-F506 HydrophobicContact CB-CD2 4.47Å; I496-F506 HydrophobicContact CB-CE2 4.28Å; I496-F506 HydrophobicContact CD1-CD2 3.74Å; I496-F506 HydrophobicContact CD1-CE2 3.75Å; I496-F506 HydrophobicContact CG1-CD2 4.12Å; I496-F506 HydrophobicContact CG1-CE2 4.28Å |
| 497 | G | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S483 S484 | S483-G497 PolarHBondContact N-O 3.3Å; S484-G497 PolarHBondContact N-O 3.24Å; S484-G497 PolarHBondContact O-N 2.98Å |
| 498 | Y | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 158.5 | -175.1 | -71.1 | -95.1 | 0 | 0 | 0 | 112.6 | W458 P479 K481 A482 I496 T500 G501 Q502 I504 V525 | W458-Y498 AromaticContact CD1-CE1 3.84Å; W458-Y498 HydrophobicContact CD2-CE1 4.29Å; W458-Y498 VanDerWaalsContact CD2-OH 3.27Å; W458-Y498 AromaticContact CE2-CE1 3.72Å; W458-Y498 HydrophobicContact CG-CE1 4.38Å; W458-Y498 HydrophobicContact CZ2-CE1 4.16Å; W458-Y498 AromaticContact NE1-CE1 3.47Å; P479-Y498 HydrophobicContact CB-CD1 3.78Å; P479-Y498 HydrophobicContact CB-CE1 4.44Å; P479-Y498 HydrophobicContact CB-CG 4.04Å; P479-Y498 HydrophobicContact CG-CD1 3.4Å; P479-Y498 HydrophobicContact CG-CD2 3.97Å; P479-Y498 HydrophobicContact CG-CE1 3.78Å; P479-Y498 HydrophobicContact CG-CE2 4.34Å; P479-Y498 HydrophobicContact CG-CG 3.48Å; P479-Y498 VanDerWaalsContact CG-CG 3.48Å; P479-Y498 WeakPolarHBondContact O-CD1 3.44Å; P479-Y498 VanDerWaalsContact O-CE1 3.32Å; P479-Y498 WeakPolarHBondContact O-CE1 3.23Å; K481-Y498 WeakPolarHBondContact O-CA 3.43Å; K481-Y498 WeakPolarHBondContact O-CD1 3.49Å; A482-Y498 HydrophobicContact CB-CD1 4.42Å; A482-Y498 HydrophobicContact CB-CE1 4.29Å; I496-Y498 HydrophobicContact CB-CE2 4.22Å; I496-Y498 HydrophobicContact CG2-CD2 4.38Å; I496-Y498 HydrophobicContact CG2-CE2 3.83Å; Y498-T500 PolarHBondContact O-N 3.39Å; Y498-G501 PolarHBondContact O-N 3.38Å; Y498-G501 VanDerWaalsContact O-N 3.1Å; Y498-Q502 PolarHBondContact N-O 3.01Å; Y498-I504 HydrophobicContact CD2-CD1 4.03Å; Y498-I504 HydrophobicContact CD2-CG1 3.96Å; Y498-I504 HydrophobicContact CE2-CB 3.8Å; Y498-I504 HydrophobicContact CE2-CD1 3.33Å; Y498-I504 HydrophobicContact CE2-CG1 3.44Å; Y498-I504 VanDerWaalsContact CE2-CG1 3.44Å; Y498-V525 PolarHBondContact O-N 2.94Å |
| 499 | E | 88.4 | Confident | 89.2 | Confident | 77 Ų | 77 | 30.4 Ų | 30.4 | 36% | 0.36 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.9 | 173 | -71 | -172.8 | 174.7 | 0 | 0 | 112.7 | K481 G501 A524 | K481-E499 HydrophobicContact CB-CB 4.29Å; K481-E499 HydrophobicContact CB-CG 3.99Å; K481-E499 WeakPolarHBondContact CD-OE2 3.4Å; K481-E499 IonicContact NZ-OE2 3.79Å; K481-E499 PolarHBondContact O-N 3.13Å; E499-G501 PolarHBondContact O-N 3.05Å; E499-A524 HydrophobicContact CB-CB 4.35Å; E499-A524 WeakPolarHBondContact O-CA 3.25Å; E499-A524 WeakPolarHBondContact O-CB 3.24Å; E499-A524 PolarHBondContact O-N 3.37Å |
| 500 | T | 87.3 | Confident | 89.2 | Confident | 78 Ų | 78 | 30.6 Ų | 30.6 | 48% | 0.479 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -9.2 | 175.9 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | P479 Y498 | P479-T500 HydrophobicContact CB-CG2 3.65Å; P479-T500 WeakPolarHBondContact CB-OG1 3.35Å; Y498-T500 PolarHBondContact O-N 3.39Å |
| 501 | G | 86.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 92.7 | 3.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y498 E499 A520 H521 G523 | Y498-G501 PolarHBondContact O-N 3.38Å; Y498-G501 VanDerWaalsContact O-N 3.1Å; E499-G501 PolarHBondContact O-N 3.05Å; G501-A520 WeakPolarHBondContact O-CB 3.4Å; G501-H521 WeakPolarHBondContact CA-O 3.44Å; G501-H521 PolarHBondContact O-N 2.86Å; G501-G523 WeakPolarHBondContact CA-O 3.48Å |
| 502 | Q | 89.7 | Confident | 89.4 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | trans | -81.5 | 147.9 | 176 | -57.4 | -171.2 | -19.2 | 0 | 0 | 112.2 | P479 Y498 I517 D518 | P479-Q502 HydrophobicContact CG-CB 4.43Å; Y498-Q502 PolarHBondContact N-O 3.01Å; Q502-I517 WeakPolarHBondContact CA-O 3.45Å; Q502-D518 VanDerWaalsContact CD-OD1 3.24Å; Q502-D518 PolarHBondContact NE2-OD1 2.79Å | ||
| 503 | L | 90.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.3 | 168.5 | -74.6 | 174.3 | 0 | 0 | 0 | 109.5 | V495 I517 A520 V525 I528 Y549 | V495-L503 HydrophobicContact CG1-CD2 4.23Å; L503-I517 HydrophobicContact CB-CB 4.3Å; L503-I517 PolarHBondContact N-O 2.84Å; L503-I517 VanDerWaalsContact N-O 3.1Å; L503-I517 PolarHBondContact O-N 2.98Å; L503-A520 HydrophobicContact CB-CB 3.96Å; L503-A520 HydrophobicContact CD1-CB 3.67Å; L503-A520 HydrophobicContact CG-CB 3.67Å; L503-V525 HydrophobicContact CD2-CG1 4.15Å; L503-V525 HydrophobicContact CD2-CG2 4.27Å; L503-V525 HydrophobicContact CG-CG2 4.49Å; L503-I528 HydrophobicContact CD2-CD1 3.57Å; L503-I528 HydrophobicContact CD2-CG1 4.33Å; L503-Y549 HydrophobicContact CD1-CD2 4.07Å; L503-Y549 HydrophobicContact CD1-CE1 4.32Å; L503-Y549 HydrophobicContact CD1-CE2 3.42Å; L503-Y549 VanDerWaalsContact CD1-CE2 3.42Å |
| 504 | I | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.3 | 179.5 | -53.4 | -173.3 | 0 | 0 | 0 | 109.9 | L478 P479 V495 I496 Y498 F506 V513 Q515 I516 | L478-I504 HydrophobicContact CD2-CD1 3.99Å; P479-I504 HydrophobicContact CG-CD1 4.35Å; V495-I504 WeakPolarHBondContact CA-O 3.35Å; I496-I504 PolarHBondContact N-O 2.73Å; I496-I504 PolarHBondContact O-N 2.97Å; Y498-I504 HydrophobicContact CD2-CD1 4.03Å; Y498-I504 HydrophobicContact CD2-CG1 3.96Å; Y498-I504 HydrophobicContact CE2-CB 3.8Å; Y498-I504 HydrophobicContact CE2-CD1 3.33Å; Y498-I504 HydrophobicContact CE2-CG1 3.44Å; Y498-I504 VanDerWaalsContact CE2-CG1 3.44Å; I504-F506 HydrophobicContact CB-CD2 4.38Å; I504-F506 HydrophobicContact CB-CE2 3.8Å; I504-F506 HydrophobicContact CB-CZ 4.43Å; I504-F506 HydrophobicContact CG2-CD2 3.89Å; I504-F506 HydrophobicContact CG2-CE1 4.42Å; I504-F506 HydrophobicContact CG2-CE2 3.42Å; I504-F506 VanDerWaalsContact CG2-CE2 3.42Å; I504-F506 HydrophobicContact CG2-CZ 3.73Å; I504-V513 HydrophobicContact CG2-CB 4.4Å; I504-V513 HydrophobicContact CG2-CG1 3.53Å; I504-V513 HydrophobicContact CG2-CG2 4.12Å; I504-Q515 WeakPolarHBondContact CA-O 3.34Å; I504-I516 HydrophobicContact CD1-CG1 4.39Å; I504-I516 HydrophobicContact CD1-CG2 4.42Å; I504-I516 HydrophobicContact CG1-CG1 4.41Å; I504-I516 HydrophobicContact CG1-CG2 4.24Å; I504-I516 HydrophobicContact CG2-CG1 4.32Å |
| 505 | L | 92.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122.7 | 172.1 | -178.6 | 70.1 | 0 | 0 | 0 | 109.3 | H493 V494 V495 V514 Q515 L563 L565 | H493-L505 HydrophobicContact CB-CD1 3.9Å; V494-L505 WeakPolarHBondContact O-CA 3.48Å; V495-L505 HydrophobicContact CG2-CD1 3.64Å; L505-V514 HydrophobicContact CB-CB 4.49Å; L505-V514 HydrophobicContact CD2-CB 4.11Å; L505-V514 HydrophobicContact CD2-CG1 4.05Å; L505-V514 HydrophobicContact CG-CB 4.19Å; L505-V514 PolarHBondContact O-N 2.82Å; L505-Q515 HydrophobicContact CB-CB 4.2Å; L505-Q515 PolarHBondContact N-O 3.41Å; L505-Q515 PolarHBondContact O-N 2.98Å; L505-L563 HydrophobicContact CD2-CB 4.46Å; L505-L563 WeakPolarHBondContact CD2-O 3.27Å; L505-L565 HydrophobicContact CB-CD1 4.44Å |
| 506 | F | 90.8 | Very high | 88.5 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 145.4 | 175.3 | -71.1 | -88.9 | 0 | 0 | 0 | 110.8 | L456 W458 H493 V494 I496 I504 V513 | L456-F506 HydrophobicContact CD1-CB 3.86Å; L456-F506 HydrophobicContact CD1-CD1 4.26Å; L456-F506 HydrophobicContact CD1-CG 4.05Å; L456-F506 HydrophobicContact CD2-CD1 4.42Å; W458-F506 HydrophobicContact CE3-CZ 4.01Å; H493-F506 CarbonylContact C-O 3.51Å; H493-F506 WeakPolarHBondContact CA-O 3.31Å; H493-F506 WeakPolarHBondContact CB-O 3.47Å; V494-F506 PolarHBondContact N-O 3.38Å; V494-F506 PolarHBondContact O-N 3.32Å; I496-F506 HydrophobicContact CB-CD2 4.47Å; I496-F506 HydrophobicContact CB-CE2 4.28Å; I496-F506 HydrophobicContact CD1-CD2 3.74Å; I496-F506 HydrophobicContact CD1-CE2 3.75Å; I496-F506 HydrophobicContact CG1-CD2 4.12Å; I496-F506 HydrophobicContact CG1-CE2 4.28Å; I504-F506 HydrophobicContact CB-CD2 4.38Å; I504-F506 HydrophobicContact CB-CE2 3.8Å; I504-F506 HydrophobicContact CB-CZ 4.43Å; I504-F506 HydrophobicContact CG2-CD2 3.89Å; I504-F506 HydrophobicContact CG2-CE1 4.42Å; I504-F506 HydrophobicContact CG2-CE2 3.42Å; I504-F506 VanDerWaalsContact CG2-CE2 3.42Å; I504-F506 HydrophobicContact CG2-CZ 3.73Å; F506-V513 HydrophobicContact CD1-CG2 3.91Å; F506-V513 HydrophobicContact CE1-CB 4.44Å; F506-V513 HydrophobicContact CE1-CG2 3.34Å; F506-V513 HydrophobicContact CZ-CG2 3.88Å |
| 507 | D | 89.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.7 | 163.9 | -179.9 | -1.3 | 0 | 0 | 0 | 108.6 | R492 T509 S510 K511 S512 V514 | R492-D507 VanDerWaalsContact CG-OD1 3.25Å; R492-D507 WeakPolarHBondContact CG-OD1 3.37Å; R492-D507 IonicContact CZ-OD2 3.41Å; R492-D507 IonicContact NE-OD1 3.28Å; R492-D507 PolarHBondContact NE-OD1 2.9Å; R492-D507 IonicContact NE-OD2 3.09Å; R492-D507 PolarHBondContact NE-OD2 2.46Å; R492-D507 VanDerWaalsContact NE-OD2 3.09Å; R492-D507 IonicContact NH2-OD2 2.82Å; R492-D507 PolarHBondContact NH2-OD2 3.17Å; D507-T509 VanDerWaalsContact C-N 3.28Å; D507-T509 PolarHBondContact O-N 3.1Å; D507-T509 WeakPolarHBondContact OD1-CB 3.13Å; D507-T509 PolarHBondContact OD1-N 3.05Å; D507-T509 PolarHBondContact OD1-OG1 2.89Å; D507-S510 WeakPolarHBondContact CB-OG 3.41Å; D507-K511 VanDerWaalsContact O-CA 3.29Å; D507-K511 WeakPolarHBondContact O-CA 3.46Å; D507-K511 PolarHBondContact O-N 3.44Å; D507-S512 PolarHBondContact N-O 2.72Å; D507-S512 VanDerWaalsContact N-O 3.11Å; D507-V514 HydrophobicContact CB-CG2 3.72Å |
| 508 | L | 86.5 | Confident | 87.8 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -27.8 | -178 | -70.1 | 166.8 | 0 | 0 | 0 | 112.4 | F435 L456 D491 R492 V494 | F435-L508 HydrophobicContact CD2-CD2 4.12Å; F435-L508 HydrophobicContact CE2-CD2 3.52Å; F435-L508 HydrophobicContact CZ-CD2 4.36Å; L456-L508 HydrophobicContact CD1-CD2 3.78Å; L456-L508 HydrophobicContact CG-CD2 4.36Å; D491-L508 VanDerWaalsContact O-CD1 3.22Å; D491-L508 WeakPolarHBondContact O-CD1 3.39Å; R492-L508 WeakPolarHBondContact O-CB 3.41Å; R492-L508 PolarHBondContact O-N 2.81Å; V494-L508 HydrophobicContact CG2-CD1 3.53Å; V494-L508 HydrophobicContact CG2-CD2 3.78Å; V494-L508 HydrophobicContact CG2-CG 3.65Å |
| 509 | T | 86.6 | Confident | 87.3 | Confident | 107 Ų | 107 | 49.5 Ų | 49.5 | 66% | 0.656 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -46.8 | -177.3 | -46.8 | 0 | 0 | 0 | 0 | 110.4 | D507 | D507-T509 VanDerWaalsContact C-N 3.28Å; D507-T509 PolarHBondContact O-N 3.1Å; D507-T509 WeakPolarHBondContact OD1-CB 3.13Å; D507-T509 PolarHBondContact OD1-N 3.05Å; D507-T509 PolarHBondContact OD1-OG1 2.89Å |
| 510 | S | 83.8 | Confident | 87.1 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 44% | 0.441 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -15.8 | 178.5 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | D507 S512 | D507-S510 WeakPolarHBondContact CB-OG 3.41Å; S510-S512 WeakPolarHBondContact CB-OG 3.42Å; S510-S512 PolarHBondContact O-N 2.82Å; S510-S512 PolarHBondContact OG-N 2.8Å; S510-S512 PolarHBondContact OG-OG 2.9Å |
| 511 | K | 85.4 | Confident | 87.1 | Confident | 121 Ų | 121 | 42.4 Ų | 42.4 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 25.9 | -172.2 | -54.6 | 176 | -176 | 174.9 | 0 | 112.9 | L456 D507 | L456-K511 HydrophobicContact CD2-CB 3.91Å; L456-K511 HydrophobicContact CD2-CG 4.29Å; D507-K511 VanDerWaalsContact O-CA 3.29Å; D507-K511 WeakPolarHBondContact O-CA 3.46Å; D507-K511 PolarHBondContact O-N 3.44Å |
| 512 | S | 85 | Confident | 87.1 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 154.5 | -177.7 | 68.3 | 0 | 0 | 0 | 0 | 111 | D507 S510 | D507-S512 PolarHBondContact N-O 2.72Å; D507-S512 VanDerWaalsContact N-O 3.11Å; S510-S512 WeakPolarHBondContact CB-OG 3.42Å; S510-S512 PolarHBondContact O-N 2.82Å; S510-S512 PolarHBondContact OG-N 2.8Å; S510-S512 PolarHBondContact OG-OG 2.9Å |
| 513 | V | 85.3 | Confident | 87 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.8 | 165.5 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | I504 F506 I516 | I504-V513 HydrophobicContact CG2-CB 4.4Å; I504-V513 HydrophobicContact CG2-CG1 3.53Å; I504-V513 HydrophobicContact CG2-CG2 4.12Å; F506-V513 HydrophobicContact CD1-CG2 3.91Å; F506-V513 HydrophobicContact CE1-CB 4.44Å; F506-V513 HydrophobicContact CE1-CG2 3.34Å; F506-V513 HydrophobicContact CZ-CG2 3.88Å; V513-I516 HydrophobicContact CG1-CD1 4.11Å; V513-I516 HydrophobicContact CG1-CG1 3.53Å |
| 514 | V | 86 | Confident | 87 | Confident | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.255 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -47.1 | 175 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | L505 D507 H562 L563 | L505-V514 HydrophobicContact CB-CB 4.49Å; L505-V514 HydrophobicContact CD2-CB 4.11Å; L505-V514 HydrophobicContact CD2-CG1 4.05Å; L505-V514 HydrophobicContact CG-CB 4.19Å; L505-V514 PolarHBondContact O-N 2.82Å; D507-V514 HydrophobicContact CB-CG2 3.72Å; V514-H562 HydrophobicContact CG1-CB 4.46Å; V514-L563 VanDerWaalsContact CG1-O 3.3Å; V514-L563 WeakPolarHBondContact CG1-O 3.42Å |
| 515 | Q | 87.9 | Confident | 87 | Confident | 42 Ų | 42 | 48 Ų | 48 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137.3 | -176.3 | -173.3 | -177.1 | -2 | 0 | 0 | 110.1 | I504 L505 I517 L565 | I504-Q515 WeakPolarHBondContact CA-O 3.34Å; L505-Q515 HydrophobicContact CB-CB 4.2Å; L505-Q515 PolarHBondContact N-O 3.41Å; L505-Q515 PolarHBondContact O-N 2.98Å; Q515-I517 HydrophobicContact CG-CG1 4.23Å; Q515-L565 PolarHBondContact NE2-O 2.93Å; Q515-L565 PolarHBondContact OE1-O 2.95Å |
| 516 | I | 89.2 | Confident | 87 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 40% | 0.395 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.5 | 169.9 | -55.7 | 177.6 | 0 | 0 | 0 | 107.1 | L478 I504 V513 D518 | L478-I516 HydrophobicContact CD2-CD1 4.1Å; I504-I516 HydrophobicContact CD1-CG1 4.39Å; I504-I516 HydrophobicContact CD1-CG2 4.42Å; I504-I516 HydrophobicContact CG1-CG1 4.41Å; I504-I516 HydrophobicContact CG1-CG2 4.24Å; I504-I516 HydrophobicContact CG2-CG1 4.32Å; V513-I516 HydrophobicContact CG1-CD1 4.11Å; V513-I516 HydrophobicContact CG1-CG1 3.53Å; I516-D518 WeakPolarHBondContact CG2-OD1 3.46Å |
| 517 | I | 89.3 | Confident | 87.1 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 97.3 | 172.4 | -55.4 | 176.1 | 0 | 0 | 0 | 106.9 | Q502 L503 Q515 A520 Y549 L565 | Q502-I517 WeakPolarHBondContact CA-O 3.45Å; L503-I517 HydrophobicContact CB-CB 4.3Å; L503-I517 PolarHBondContact N-O 2.84Å; L503-I517 VanDerWaalsContact N-O 3.1Å; L503-I517 PolarHBondContact O-N 2.98Å; Q515-I517 HydrophobicContact CG-CG1 4.23Å; I517-A520 HydrophobicContact CB-CB 4.36Å; I517-A520 HydrophobicContact CG2-CB 3.81Å; I517-Y549 HydrophobicContact CD1-CD1 4.21Å; I517-Y549 HydrophobicContact CD1-CE1 3.94Å; I517-L565 HydrophobicContact CD1-CB 3.9Å; I517-L565 HydrophobicContact CD1-CD1 4.43Å |
| 518 | D | 80.8 | Confident | 87.3 | Confident | 68 Ų | 68 | 54.6 Ų | 54.6 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -34.5 | -176.3 | -76.2 | -22 | 0 | 0 | 0 | 112.2 | N476 Q502 I516 | N476-D518 PolarHBondContact ND2-OD2 3.25Å; N476-D518 VanDerWaalsContact ND2-OD2 3.11Å; Q502-D518 VanDerWaalsContact CD-OD1 3.24Å; Q502-D518 PolarHBondContact NE2-OD1 2.79Å; I516-D518 WeakPolarHBondContact CG2-OD1 3.46Å |
| 519 | E | 80.2 | Confident | 87.7 | Confident | 165 Ų | 165 | 54.5 Ų | 54.5 | 77% | 0.771 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 25.9 | -173.4 | -60 | -174.6 | 171.2 | 0 | 0 | 113.8 | R547 | E519-R547 PolarHBondContact O-NH1 2.86Å; E519-R547 PolarHBondContact O-NH2 3.46Å |
| 520 | A | 83.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -67.6 | -44 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | G501 L503 I517 R547 Y549 | G501-A520 WeakPolarHBondContact O-CB 3.4Å; L503-A520 HydrophobicContact CB-CB 3.96Å; L503-A520 HydrophobicContact CD1-CB 3.67Å; L503-A520 HydrophobicContact CG-CB 3.67Å; I517-A520 HydrophobicContact CB-CB 4.36Å; I517-A520 HydrophobicContact CG2-CB 3.81Å; A520-R547 WeakPolarHBondContact O-CD 3.4Å; A520-R547 PolarHBondContact O-NE 3.3Å; A520-R547 PolarHBondContact O-NH1 3.27Å; A520-R547 VanDerWaalsContact O-NH1 3.11Å; A520-R547 PolarHBondContact O-NH2 3.38Å; A520-Y549 WeakPolarHBondContact CB-OH 3.49Å |
| 521 | H | 88.3 | Confident | 88.3 | Confident | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | trans | -145.3 | 152.6 | 175 | -75.5 | -82.4 | 0 | 0 | 0 | 109.6 | G501 G523 V525 S539 D543 Q545 | G501-H521 WeakPolarHBondContact CA-O 3.44Å; G501-H521 PolarHBondContact O-N 2.86Å; H521-G523 VanDerWaalsContact C-N 3.32Å; H521-G523 WeakPolarHBondContact CB-O 3.24Å; H521-V525 HydrophobicContact CB-CG2 4.27Å; H521-S539 PolarHBondContact NE2-OG 3.09Å; H521-D543 WeakPolarHBondContact CA-OD2 3.47Å; H521-D543 WeakPolarHBondContact CB-OD2 3.48Å; H521-D543 IonicContact CE1-OD1 2.66Å; H521-D543 IonicContact CG-OD1 3.95Å; H521-D543 IonicContact CG-OD2 3.24Å; H521-D543 VanDerWaalsContact ND1-CG 3.32Å; H521-D543 IonicContact ND1-OD1 3.01Å; H521-D543 PolarHBondContact ND1-OD1 3.25Å; H521-D543 IonicContact ND1-OD2 2.81Å; H521-D543 PolarHBondContact ND1-OD2 3.11Å; H521-Q545 PolarHBondContact CE1-O 3.2Å; H521-Q545 VanDerWaalsContact CE1-O 3.32Å | ||
| 522 | T | 87.3 | Confident | 88.3 | Confident | 122 Ų | 122 | 45 Ų | 45 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -84.9 | -12.1 | 174.7 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | D543 | T522-D543 PolarHBondContact N-OD2 2.86Å; T522-D543 VanDerWaalsContact N-OD2 3.09Å; T522-D543 WeakPolarHBondContact OG1-CB 3.21Å |
| 523 | G | 87.2 | Confident | 88.4 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -130.4 | 179.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G501 H521 V525 S542 | G501-G523 WeakPolarHBondContact CA-O 3.48Å; H521-G523 VanDerWaalsContact C-N 3.32Å; H521-G523 WeakPolarHBondContact CB-O 3.24Å; G523-V525 PolarHBondContact O-N 3.4Å; G523-S542 WeakPolarHBondContact CA-OG 3.46Å |
| 524 | A | 89.9 | Confident | 88.5 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | trans | -52.4 | 130.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E499 R526 S542 | E499-A524 HydrophobicContact CB-CB 4.35Å; E499-A524 WeakPolarHBondContact O-CA 3.25Å; E499-A524 WeakPolarHBondContact O-CB 3.24Å; E499-A524 PolarHBondContact O-N 3.37Å; A524-R526 PolarHBondContact O-N 3.39Å; A524-S542 PolarHBondContact N-OG 3.31Å; A524-S542 PolarHBondContact O-N 3.43Å; A524-S542 PolarHBondContact O-OG 3.25Å | ||
| 525 | V | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 112.9 | 170.5 | -173 | 0 | 0 | 0 | 0 | 108 | S483 S484 Y498 L503 H521 G523 I528 | S483-V525 WeakPolarHBondContact CB-O 3.31Å; S483-V525 PolarHBondContact OG-O 3.35Å; S484-V525 PolarHBondContact OG-O 2.94Å; Y498-V525 PolarHBondContact O-N 2.94Å; L503-V525 HydrophobicContact CD2-CG1 4.15Å; L503-V525 HydrophobicContact CD2-CG2 4.27Å; L503-V525 HydrophobicContact CG-CG2 4.49Å; H521-V525 HydrophobicContact CB-CG2 4.27Å; G523-V525 PolarHBondContact O-N 3.4Å; V525-I528 HydrophobicContact CG1-CD1 4.07Å; V525-I528 HydrophobicContact CG1-CG1 3.77Å |
| 526 | R | 91.4 | Very high | 88.8 | Confident | 124 Ų | 124 | 57 Ų | 57 | 47% | 0.468 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -35.7 | -173.4 | -70.4 | -64 | -169.4 | 179.5 | -0.3 | 112.8 | A524 G540 I578 | A524-R526 PolarHBondContact O-N 3.39Å; R526-G540 PolarHBondContact N-O 3Å; R526-I578 WeakPolarHBondContact CB-O 3.34Å; R526-I578 VanDerWaalsContact CG-O 3.29Å; R526-I578 WeakPolarHBondContact CG-O 3.37Å |
| 527 | S | 93.2 | Very high | 89 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 143.1 | -177.5 | -166 | 0 | 0 | 0 | 0 | 110.9 | S539 G540 L581 | S527-S539 WeakPolarHBondContact O-CA 3.33Å; S527-G540 PolarHBondContact N-O 3.31Å; S527-G540 PolarHBondContact O-N 3.14Å; S527-L581 VanDerWaalsContact CB-N 3.34Å; S527-L581 PolarHBondContact OG-N 3.33Å; S527-L581 PolarHBondContact OG-O 3.13Å |
| 528 | I | 93.9 | Very high | 89.3 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.9 | 174.1 | -58.2 | 170.5 | 0 | 0 | 0 | 106.4 | S484 V486 V495 L503 V525 I537 I538 | S484-I528 VanDerWaalsContact OG-CD1 3.25Å; S484-I528 WeakPolarHBondContact OG-CD1 3.4Å; S484-I528 WeakPolarHBondContact OG-CG1 3.23Å; V486-I528 HydrophobicContact CB-CB 4.26Å; V486-I528 HydrophobicContact CB-CG2 3.75Å; V486-I528 HydrophobicContact CG1-CG2 4.13Å; V486-I528 HydrophobicContact CG2-CB 4.33Å; V486-I528 HydrophobicContact CG2-CG2 4.05Å; V486-I528 VanDerWaalsContact CG2-O 3.26Å; V486-I528 WeakPolarHBondContact CG2-O 3.15Å; V495-I528 HydrophobicContact CG1-CD1 4.34Å; L503-I528 HydrophobicContact CD2-CD1 3.57Å; L503-I528 HydrophobicContact CD2-CG1 4.33Å; V525-I528 HydrophobicContact CG1-CD1 4.07Å; V525-I528 HydrophobicContact CG1-CG1 3.77Å; I528-I537 HydrophobicContact CG2-CG2 3.21Å; I528-I538 CarbonylContact C-O 3.55Å; I528-I538 WeakPolarHBondContact CA-O 3.22Å |
| 529 | A | 93.6 | Very high | 89.9 | Confident | 12 Ų | 12 | 49 Ų | 49 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I537 I538 L581 V583 | A529-I537 CarbonylContact O-C 3.5Å; A529-I537 WeakPolarHBondContact O-CA 3.5Å; A529-I538 PolarHBondContact N-O 3.38Å; A529-I538 PolarHBondContact O-N 2.94Å; A529-L581 HydrophobicContact CB-CD2 3.59Å; A529-V583 HydrophobicContact CB-CG2 3.83Å |
| 530 | V | 91.9 | Very high | 90.5 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 26% | 0.255 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 137.6 | 172.2 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | V486 | V486-V530 HydrophobicContact CB-CG2 4.21Å; V486-V530 HydrophobicContact CG1-CG2 3.24Å; V486-V530 HydrophobicContact CG2-CG2 3.89Å |
| 531 | T | 92.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | trans | -62.9 | 147.1 | 169.6 | 51.7 | 0 | 0 | 0 | 0 | 110.6 | D533 K534 K536 I538 V583 N587 | T531-D533 PolarHBondContact O-N 3.12Å; T531-D533 VanDerWaalsContact O-N 3.13Å; T531-K534 WeakPolarHBondContact O-CA 3.11Å; T531-K534 PolarHBondContact O-N 3.03Å; T531-K536 HydrophobicContact CG2-CB 3.8Å; T531-K536 PolarHBondContact N-O 3.23Å; T531-K536 WeakPolarHBondContact OG1-CA 3.38Å; T531-K536 PolarHBondContact OG1-N 3.47Å; T531-K536 PolarHBondContact OG1-O 2.93Å; T531-I538 HydrophobicContact CG2-CD1 4.31Å; T531-I538 HydrophobicContact CG2-CG1 4.35Å; T531-V583 HydrophobicContact CG2-CG1 4.36Å; T531-N587 WeakPolarHBondContact CB-OD1 3.41Å | ||
| 532 | G | 85.7 | Confident | 91.1 | Very high | 38 Ų | 38 | 42 Ų | 42 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K534 N587 | G532-K534 PolarHBondContact O-N 2.88Å; G532-N587 VanDerWaalsContact CA-OD1 3.28Å; G532-N587 WeakPolarHBondContact CA-OD1 3.39Å; G532-N587 PolarHBondContact N-OD1 3.36Å |
| 533 | D | 86.4 | Confident | 91.2 | Very high | 107 Ų | 107 | 37.4 Ų | 37.4 | 57% | 0.572 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -10.3 | 173.6 | -81.6 | -6.9 | 0 | 0 | 0 | 112.3 | T531 K535 N587 | T531-D533 PolarHBondContact O-N 3.12Å; T531-D533 VanDerWaalsContact O-N 3.13Å; D533-K535 PolarHBondContact O-N 3.38Å; D533-K535 VanDerWaalsContact O-N 3.08Å; D533-N587 WeakPolarHBondContact CB-ND2 3.37Å; D533-N587 PolarHBondContact N-ND2 3.42Å; D533-N587 PolarHBondContact N-OD1 3.43Å; D533-N587 PolarHBondContact OD1-ND2 2.8Å; D533-N587 PolarHBondContact OD2-ND2 2.94Å |
| 534 | K | 87.9 | Confident | 91.5 | Very high | 121 Ų | 121 | 40.6 Ų | 40.6 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 62.4 | 8.1 | -178.2 | -56.3 | 179.8 | 179.6 | -172.7 | 0 | 114.7 | P489 T531 G532 F551 | P489-K534 HydrophobicContact CB-CB 3.82Å; P489-K534 HydrophobicContact CB-CD 3.98Å; P489-K534 HydrophobicContact CB-CG 4.32Å; P489-K534 HydrophobicContact CG-CB 3.99Å; P489-K534 WeakPolarHBondContact CG-O 3.28Å; T531-K534 WeakPolarHBondContact O-CA 3.11Å; T531-K534 PolarHBondContact O-N 3.03Å; G532-K534 PolarHBondContact O-N 2.88Å; K534-F551 WeakPolarHBondContact O-CD2 3.33Å |
| 535 | K | 89.7 | Confident | 91.6 | Very high | 145 Ų | 145 | 42 Ų | 42 | 63% | 0.63 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -90.3 | -28.5 | -178.4 | -68 | 178.8 | -177.2 | 177 | 0 | 113.6 | D533 F551 | D533-K535 PolarHBondContact O-N 3.38Å; D533-K535 VanDerWaalsContact O-N 3.08Å; K535-F551 VanDerWaalsContact O-CD2 3.28Å; K535-F551 WeakPolarHBondContact O-CD2 3.27Å; K535-F551 PolarHBondContact O-N 2.7Å |
| 536 | K | 90.8 | Very high | 91.7 | Very high | 72 Ų | 72 | 42 Ų | 42 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 151.7 | -176.1 | -43.1 | -167.8 | 165.9 | -162.8 | 0 | 111.9 | T531 Y549 D550 | T531-K536 HydrophobicContact CG2-CB 3.8Å; T531-K536 PolarHBondContact N-O 3.23Å; T531-K536 WeakPolarHBondContact OG1-CA 3.38Å; T531-K536 PolarHBondContact OG1-N 3.47Å; T531-K536 PolarHBondContact OG1-O 2.93Å; K536-Y549 CarbonylContact C-O 3.45Å; K536-Y549 WeakPolarHBondContact CA-O 3.43Å; K536-D550 WeakPolarHBondContact CD-OD1 3.22Å; K536-D550 WeakPolarHBondContact CE-OD1 3.12Å; K536-D550 WeakPolarHBondContact CE-OD2 3.27Å; K536-D550 WeakPolarHBondContact CG-OD1 3.34Å; K536-D550 IonicContact NZ-OD1 3.7Å; K536-D550 IonicContact NZ-OD2 2.75Å |
| 537 | I | 93.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.1 | 168.8 | -56.7 | -176.1 | 0 | 0 | 0 | 108.2 | V486 V495 I528 A529 F548 Y549 F551 L565 | V486-I537 HydrophobicContact CG1-CD1 4.21Å; V495-I537 HydrophobicContact CB-CD1 4.15Å; V495-I537 HydrophobicContact CG1-CD1 4.43Å; V495-I537 HydrophobicContact CG2-CD1 3.48Å; V495-I537 VanDerWaalsContact CG2-CD1 3.48Å; I528-I537 HydrophobicContact CG2-CG2 3.21Å; A529-I537 CarbonylContact O-C 3.5Å; A529-I537 WeakPolarHBondContact O-CA 3.5Å; I537-F548 WeakPolarHBondContact O-CA 3.41Å; I537-Y549 PolarHBondContact N-O 3.32Å; I537-Y549 PolarHBondContact O-N 3.15Å; I537-F551 HydrophobicContact CD1-CE1 3.62Å; I537-F551 HydrophobicContact CD1-CE2 4.06Å; I537-F551 HydrophobicContact CD1-CZ 3.31Å; I537-F551 HydrophobicContact CG1-CD2 4.47Å; I537-F551 HydrophobicContact CG1-CE1 4.09Å; I537-F551 HydrophobicContact CG1-CE2 3.63Å; I537-F551 HydrophobicContact CG1-CZ 3.43Å; I537-F551 VanDerWaalsContact CG1-CZ 3.43Å; I537-L565 HydrophobicContact CD1-CD2 3.71Å; I537-L565 HydrophobicContact CG1-CD2 4.45Å |
| 538 | I | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.2 | 171.3 | -52.9 | -175.6 | 0 | 0 | 0 | 108.2 | I528 A529 T531 V546 R547 F548 L581 V583 V590 | I528-I538 CarbonylContact C-O 3.55Å; I528-I538 WeakPolarHBondContact CA-O 3.22Å; A529-I538 PolarHBondContact N-O 3.38Å; A529-I538 PolarHBondContact O-N 2.94Å; T531-I538 HydrophobicContact CG2-CD1 4.31Å; T531-I538 HydrophobicContact CG2-CG1 4.35Å; I538-V546 HydrophobicContact CG2-CG1 3.34Å; I538-R547 CarbonylContact C-O 3.57Å; I538-R547 VanDerWaalsContact CA-O 3.3Å; I538-R547 WeakPolarHBondContact CA-O 3.41Å; I538-F548 HydrophobicContact CD1-CD1 3.79Å; I538-F548 HydrophobicContact CD1-CE1 3.35Å; I538-F548 HydrophobicContact CD1-CZ 4.17Å; I538-F548 HydrophobicContact CG1-CD1 3.66Å; I538-F548 HydrophobicContact CG1-CE1 3.77Å; I538-F548 HydrophobicContact CG2-CE1 4.41Å; I538-L581 HydrophobicContact CB-CD2 3.97Å; I538-L581 HydrophobicContact CG2-CD1 3.7Å; I538-L581 HydrophobicContact CG2-CD2 3.81Å; I538-L581 HydrophobicContact CG2-CG 4.44Å; I538-V583 HydrophobicContact CD1-CG2 3.61Å; I538-V583 HydrophobicContact CG1-CG2 4.31Å; I538-V590 HydrophobicContact CD1-CG1 4.41Å; I538-V590 HydrophobicContact CD1-CG2 3.68Å |
| 539 | S | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.1 | 171.9 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | H521 S527 V546 R547 Y549 | H521-S539 PolarHBondContact NE2-OG 3.09Å; S527-S539 WeakPolarHBondContact O-CA 3.33Å; S539-V546 CarbonylContact O-C 3.53Å; S539-V546 VanDerWaalsContact O-CA 3.31Å; S539-V546 WeakPolarHBondContact O-CA 3.4Å; S539-R547 PolarHBondContact N-O 3.2Å; S539-R547 PolarHBondContact O-N 3.41Å; S539-Y549 WeakPolarHBondContact OG-CE2 3.36Å |
| 540 | G | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R526 S527 | R526-G540 PolarHBondContact N-O 3Å; S527-G540 PolarHBondContact N-O 3.31Å; S527-G540 PolarHBondContact O-N 3.14Å |
| 541 | G | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 161.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | D543 K544 Q545 I578 | G541-D543 WeakPolarHBondContact CA-OD1 3.4Å; G541-D543 PolarHBondContact O-N 2.95Å; G541-K544 PolarHBondContact O-N 2.93Å; G541-Q545 PolarHBondContact N-O 2.94Å; G541-I578 PolarHBondContact O-N 2.82Å |
| 542 | S | 91.3 | Very high | 91.3 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 16% | 0.161 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8.3 | 166.8 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | G523 A524 K544 Q577 | G523-S542 WeakPolarHBondContact CA-OG 3.46Å; A524-S542 PolarHBondContact N-OG 3.31Å; A524-S542 PolarHBondContact O-N 3.43Å; A524-S542 PolarHBondContact O-OG 3.25Å; S542-K544 PolarHBondContact O-N 2.66Å; S542-Q577 WeakPolarHBondContact O-CG 3.42Å |
| 543 | D | 91.4 | Very high | 91.2 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 9.9 | 172.6 | 63.3 | -5.7 | 0 | 0 | 0 | 113.8 | H521 T522 G541 Q545 | H521-D543 WeakPolarHBondContact CA-OD2 3.47Å; H521-D543 WeakPolarHBondContact CB-OD2 3.48Å; H521-D543 IonicContact CE1-OD1 2.66Å; H521-D543 IonicContact CG-OD1 3.95Å; H521-D543 IonicContact CG-OD2 3.24Å; H521-D543 VanDerWaalsContact ND1-CG 3.32Å; H521-D543 IonicContact ND1-OD1 3.01Å; H521-D543 PolarHBondContact ND1-OD1 3.25Å; H521-D543 IonicContact ND1-OD2 2.81Å; H521-D543 PolarHBondContact ND1-OD2 3.11Å; T522-D543 PolarHBondContact N-OD2 2.86Å; T522-D543 VanDerWaalsContact N-OD2 3.09Å; T522-D543 WeakPolarHBondContact OG1-CB 3.21Å; G541-D543 WeakPolarHBondContact CA-OD1 3.4Å; G541-D543 PolarHBondContact O-N 2.95Å; D543-Q545 PolarHBondContact O-N 3.22Å; D543-Q545 WeakPolarHBondContact OD1-CB 3.22Å; D543-Q545 PolarHBondContact OD1-N 3.49Å; D543-Q545 VanDerWaalsContact OD1-N 3.11Å |
| 544 | K | 92.3 | Very high | 91 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 65.4 | 16.6 | -177.9 | -41.3 | -175.2 | 173.2 | -165.9 | 0 | 113.7 | G541 S542 V574 S575 D576 | G541-K544 PolarHBondContact O-N 2.93Å; S542-K544 PolarHBondContact O-N 2.66Å; K544-V574 PolarHBondContact O-N 2.81Å; K544-S575 PolarHBondContact NZ-O 2.71Å; K544-D576 IonicContact NZ-OD1 3.51Å |
| 545 | Q | 93.2 | Very high | 90.5 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.7 | 179 | -59.7 | -170.4 | 1.5 | 0 | 0 | 111.7 | H521 G541 D543 S571 K572 I578 | H521-Q545 PolarHBondContact CE1-O 3.2Å; H521-Q545 VanDerWaalsContact CE1-O 3.32Å; G541-Q545 PolarHBondContact N-O 2.94Å; D543-Q545 PolarHBondContact O-N 3.22Å; D543-Q545 WeakPolarHBondContact OD1-CB 3.22Å; D543-Q545 PolarHBondContact OD1-N 3.49Å; D543-Q545 VanDerWaalsContact OD1-N 3.11Å; Q545-S571 PolarHBondContact OE1-OG 2.94Å; Q545-K572 CarbonylContact C-O 3.56Å; Q545-K572 WeakPolarHBondContact CA-O 3.41Å; Q545-I578 WeakPolarHBondContact O-CD1 3.44Å |
| 546 | V | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.8 | 163.6 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | I538 S539 F548 K572 V574 I578 L581 V592 F607 | I538-V546 HydrophobicContact CG2-CG1 3.34Å; S539-V546 CarbonylContact O-C 3.53Å; S539-V546 VanDerWaalsContact O-CA 3.31Å; S539-V546 WeakPolarHBondContact O-CA 3.4Å; V546-F548 HydrophobicContact CG1-CE2 4.01Å; V546-F548 HydrophobicContact CG1-CZ 4.31Å; V546-K572 HydrophobicContact CB-CB 4.41Å; V546-K572 PolarHBondContact N-O 2.88Å; V546-K572 PolarHBondContact O-N 3.1Å; V546-V574 HydrophobicContact CG2-CG2 3.87Å; V546-I578 HydrophobicContact CG2-CD1 3.38Å; V546-L581 HydrophobicContact CG1-CD1 3.94Å; V546-L581 HydrophobicContact CG2-CD1 4.13Å; V546-V592 HydrophobicContact CG2-CG2 4.34Å; V546-F607 HydrophobicContact CB-CE2 4.26Å; V546-F607 HydrophobicContact CB-CZ 4.07Å; V546-F607 HydrophobicContact CG1-CE2 4.18Å; V546-F607 HydrophobicContact CG1-CZ 4.47Å; V546-F607 HydrophobicContact CG2-CE2 4.4Å; V546-F607 HydrophobicContact CG2-CZ 3.94Å |
| 547 | R | 92.8 | Very high | 88.2 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 149.1 | 177.9 | -65.9 | -163.3 | -178.8 | -177.4 | 16.7 | 111.6 | E519 A520 I538 S539 Y549 E567 | E519-R547 PolarHBondContact O-NH1 2.86Å; E519-R547 PolarHBondContact O-NH2 3.46Å; A520-R547 WeakPolarHBondContact O-CD 3.4Å; A520-R547 PolarHBondContact O-NE 3.3Å; A520-R547 PolarHBondContact O-NH1 3.27Å; A520-R547 VanDerWaalsContact O-NH1 3.11Å; A520-R547 PolarHBondContact O-NH2 3.38Å; I538-R547 CarbonylContact C-O 3.57Å; I538-R547 VanDerWaalsContact CA-O 3.3Å; I538-R547 WeakPolarHBondContact CA-O 3.41Å; S539-R547 PolarHBondContact N-O 3.2Å; S539-R547 PolarHBondContact O-N 3.41Å; R547-Y549 HydrophobicContact CB-CE2 3.68Å; R547-Y549 WeakPolarHBondContact CD-OH 3.32Å; R547-E567 IonicContact CZ-OE1 2.66Å; R547-E567 IonicContact NH1-OE1 3.94Å; R547-E567 PolarHBondContact NH1-OE1 3.4Å; R547-E567 IonicContact NH1-OE2 3.25Å |
| 548 | F | 93 | Very high | 86.7 | Confident | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.7 | -177.7 | -64.1 | -102.5 | 0 | 0 | 0 | 109.5 | I537 I538 V546 E567 S568 C569 K572 F607 | I537-F548 WeakPolarHBondContact O-CA 3.41Å; I538-F548 HydrophobicContact CD1-CD1 3.79Å; I538-F548 HydrophobicContact CD1-CE1 3.35Å; I538-F548 HydrophobicContact CD1-CZ 4.17Å; I538-F548 HydrophobicContact CG1-CD1 3.66Å; I538-F548 HydrophobicContact CG1-CE1 3.77Å; I538-F548 HydrophobicContact CG2-CE1 4.41Å; V546-F548 HydrophobicContact CG1-CE2 4.01Å; V546-F548 HydrophobicContact CG1-CZ 4.31Å; F548-E567 WeakPolarHBondContact O-CA 3.31Å; F548-S568 PolarHBondContact O-N 3.26Å; F548-C569 HydrophobicContact CB-CB 4.13Å; F548-C569 HydrophobicContact CD2-CB 4.17Å; F548-C569 HydrophobicContact CG-CB 4.36Å; F548-K572 HydrophobicContact CE2-CG 3.91Å; F548-F607 HydrophobicContact CE2-CD2 4.33Å; F548-F607 HydrophobicContact CZ-CD2 4.06Å; F548-F607 HydrophobicContact CZ-CE2 4.33Å |
| 549 | Y | 93.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.5 | 179.5 | -62.2 | -87.8 | 0 | 0 | 0 | 109.7 | L503 I517 A520 K536 I537 S539 R547 L565 V566 E567 | L503-Y549 HydrophobicContact CD1-CD2 4.07Å; L503-Y549 HydrophobicContact CD1-CE1 4.32Å; L503-Y549 HydrophobicContact CD1-CE2 3.42Å; L503-Y549 VanDerWaalsContact CD1-CE2 3.42Å; I517-Y549 HydrophobicContact CD1-CD1 4.21Å; I517-Y549 HydrophobicContact CD1-CE1 3.94Å; A520-Y549 WeakPolarHBondContact CB-OH 3.49Å; K536-Y549 CarbonylContact C-O 3.45Å; K536-Y549 WeakPolarHBondContact CA-O 3.43Å; I537-Y549 PolarHBondContact N-O 3.32Å; I537-Y549 PolarHBondContact O-N 3.15Å; S539-Y549 WeakPolarHBondContact OG-CE2 3.36Å; R547-Y549 HydrophobicContact CB-CE2 3.68Å; R547-Y549 WeakPolarHBondContact CD-OH 3.32Å; Y549-L565 HydrophobicContact CD1-CB 4.29Å; Y549-V566 CarbonylContact C-O 3.53Å; Y549-V566 WeakPolarHBondContact CA-O 3.41Å; Y549-E567 HydrophobicContact CD1-CG 3.65Å; Y549-E567 HydrophobicContact CE1-CB 4.48Å; Y549-E567 HydrophobicContact CE1-CG 3.2Å; Y549-E567 WeakPolarHBondContact CE1-OE1 3.13Å; Y549-E567 PolarHBondContact OH-OE1 3.34Å |
| 550 | D | 91.9 | Very high | 84.7 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 142 | 173.5 | -71.1 | 12.4 | 0 | 0 | 0 | 109.8 | K536 S552 V566 S568 | K536-D550 WeakPolarHBondContact CD-OD1 3.22Å; K536-D550 WeakPolarHBondContact CE-OD1 3.12Å; K536-D550 WeakPolarHBondContact CE-OD2 3.27Å; K536-D550 WeakPolarHBondContact CG-OD1 3.34Å; K536-D550 IonicContact NZ-OD1 3.7Å; K536-D550 IonicContact NZ-OD2 2.75Å; D550-S552 PolarHBondContact O-N 2.94Å; D550-V566 PolarHBondContact N-O 3.08Å; D550-V566 PolarHBondContact O-N 3.39Å; D550-S568 VanDerWaalsContact CG-OG 3.31Å; D550-S568 WeakPolarHBondContact OD1-CB 3.49Å; D550-S568 PolarHBondContact OD1-OG 2.75Å; D550-S568 VanDerWaalsContact OD2-CB 3.25Å; D550-S568 WeakPolarHBondContact OD2-CB 3.47Å |
| 551 | F | 89.5 | Confident | 84 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 17% | 0.167 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 111.1 | 170 | -71.2 | -63.5 | 0 | 0 | 0 | 109.5 | A488 P489 K534 K535 I537 L563 L565 | A488-F551 HydrophobicContact CB-CE1 3.76Å; A488-F551 HydrophobicContact CB-CZ 3.67Å; P489-F551 HydrophobicContact CG-CE2 4.21Å; K534-F551 WeakPolarHBondContact O-CD2 3.33Å; K535-F551 VanDerWaalsContact O-CD2 3.28Å; K535-F551 WeakPolarHBondContact O-CD2 3.27Å; K535-F551 PolarHBondContact O-N 2.7Å; I537-F551 HydrophobicContact CD1-CE1 3.62Å; I537-F551 HydrophobicContact CD1-CE2 4.06Å; I537-F551 HydrophobicContact CD1-CZ 3.31Å; I537-F551 HydrophobicContact CG1-CD2 4.47Å; I537-F551 HydrophobicContact CG1-CE1 4.09Å; I537-F551 HydrophobicContact CG1-CE2 3.63Å; I537-F551 HydrophobicContact CG1-CZ 3.43Å; I537-F551 VanDerWaalsContact CG1-CZ 3.43Å; F551-L563 HydrophobicContact CB-CD1 4.15Å; F551-L563 HydrophobicContact CD1-CD1 4.34Å; F551-L563 HydrophobicContact CD1-CD2 3.78Å; F551-L563 HydrophobicContact CD1-CG 4.19Å; F551-L563 HydrophobicContact CE1-CD2 4.13Å; F551-L565 HydrophobicContact CD1-CD2 3.63Å; F551-L565 HydrophobicContact CE1-CD2 3.67Å |
| 552 | S | 87.4 | Confident | 83.4 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149.6 | 176.9 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | D550 L563 C564 V566 | D550-S552 PolarHBondContact O-N 2.94Å; S552-L563 CarbonylContact O-C 3.58Å; S552-L563 WeakPolarHBondContact O-CA 3.47Å; S552-C564 PolarHBondContact N-O 3Å; S552-C564 PolarHBondContact O-N 2.87Å; S552-C564 VanDerWaalsContact O-O 3.1Å; S552-C564 PolarHBondContact OG-O 3.39Å; S552-V566 WeakPolarHBondContact OG-CG2 3.27Å |
| 553 | L | 84.9 | Confident | 83 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 67% | 0.665 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.3 | 170.8 | -69.8 | 167.6 | 0 | 0 | 0 | 108 | H562 L563 | L553-H562 WeakPolarHBondContact CA-O 3.2Å; L553-L563 HydrophobicContact CD2-CB 4.36Å; L553-L563 HydrophobicContact CD2-CD1 3.92Å; L553-L563 HydrophobicContact CG-CD1 4.42Å |
| 554 | K | 82.1 | Confident | 82.7 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 48% | 0.478 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.6 | 172.6 | -68.8 | -173.9 | 179.3 | 179.7 | 0 | 109.5 | P561 H562 C564 | K554-P561 WeakPolarHBondContact O-CA 3.29Å; K554-H562 PolarHBondContact N-O 3.33Å; K554-H562 PolarHBondContact O-CE1 3.44Å; K554-H562 PolarHBondContact O-N 3.34Å; K554-H562 PolarHBondContact O-ND1 3.32Å; K554-C564 HydrophobicContact CD-CB 4.15Å; K554-C564 HydrophobicContact CG-CB 4.28Å |
| 555 | T | 77.4 | Confident | 82.5 | Confident | 100 Ų | 100 | 62.7 Ų | 62.7 | 61% | 0.613 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117.7 | 172.8 | -45.3 | 0 | 0 | 0 | 0 | 107.7 | ||
| 556 | S | 66.9 | Low | 82.2 | Confident | 46 Ų | 46 | 63.2 Ų | 63.2 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | trans | -77.4 | 168.7 | 170.3 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | N558 G559 | S556-N558 PolarHBondContact O-N 3.13Å; S556-G559 PolarHBondContact O-N 3.06Å | ||
| 557 | D | 65.3 | Low | 81.8 | Confident | 175 Ų | 175 | 67.6 Ų | 67.6 | 94% | 0.936 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -21.2 | 179.3 | -59.6 | -22.4 | 0 | 0 | 0 | 113.4 | G559 | D557-G559 VanDerWaalsContact C-N 3.27Å; D557-G559 PolarHBondContact O-N 3.3Å |
| 558 | N | 62.1 | Low | 81.2 | Confident | 148 Ų | 148 | 68 Ų | 68 | 79% | 0.791 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 7.4 | 175.7 | -67.1 | -23.3 | 0 | 0 | 0 | 114.6 | S556 K560 | S556-N558 PolarHBondContact O-N 3.13Å; N558-K560 PolarHBondContact O-N 3.47Å |
| 559 | G | 72.3 | Confident | 80.5 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 72.5 | -4.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S556 D557 | S556-G559 PolarHBondContact O-N 3.06Å; D557-G559 VanDerWaalsContact C-N 3.27Å; D557-G559 PolarHBondContact O-N 3.3Å |
| 560 | K | 72.6 | Confident | 79.9 | Confident | 161 Ų | 161 | 74.4 Ų | 74.4 | 70% | 0.7 | 42% | 0.419 | S | S | * | . | trans | -91.9 | 123.3 | 176.5 | -68.7 | -178.8 | -177.6 | 175.1 | 0 | 110.1 | N558 H562 | N558-K560 PolarHBondContact O-N 3.47Å; K560-H562 PolarHBondContact O-N 2.93Å | ||
| 561 | P | 78.4 | Confident | 79.5 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129 | 173.6 | 27.8 | -32.8 | 0 | 0 | 0 | 109.5 | K554 | K554-P561 WeakPolarHBondContact O-CA 3.29Å |
| 562 | H | 79.2 | Confident | 79.5 | Confident | 62 Ų | 62 | 75.9 Ų | 75.9 | 29% | 0.287 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 150.5 | 171.5 | 62.5 | -73.5 | 0 | 0 | 0 | 109.6 | V514 L553 K554 K560 C564 | V514-H562 HydrophobicContact CG1-CB 4.46Å; L553-H562 WeakPolarHBondContact CA-O 3.2Å; K554-H562 PolarHBondContact N-O 3.33Å; K554-H562 PolarHBondContact O-CE1 3.44Å; K554-H562 PolarHBondContact O-N 3.34Å; K554-H562 PolarHBondContact O-ND1 3.32Å; K560-H562 PolarHBondContact O-N 2.93Å; H562-C564 PolarHBondContact CD2-SG 2.91Å; H562-C564 PolarHBondContact NE2-SG 2.79Å |
| 563 | L | 84.1 | Confident | 79.6 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 13% | 0.126 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.1 | 179.5 | -167.6 | 74.4 | 0 | 0 | 0 | 109.3 | H493 L505 V514 F551 S552 L553 | H493-L563 HydrophobicContact CB-CD2 4.15Å; L505-L563 HydrophobicContact CD2-CB 4.46Å; L505-L563 WeakPolarHBondContact CD2-O 3.27Å; V514-L563 VanDerWaalsContact CG1-O 3.3Å; V514-L563 WeakPolarHBondContact CG1-O 3.42Å; F551-L563 HydrophobicContact CB-CD1 4.15Å; F551-L563 HydrophobicContact CD1-CD1 4.34Å; F551-L563 HydrophobicContact CD1-CD2 3.78Å; F551-L563 HydrophobicContact CD1-CG 4.19Å; F551-L563 HydrophobicContact CE1-CD2 4.13Å; S552-L563 CarbonylContact O-C 3.58Å; S552-L563 WeakPolarHBondContact O-CA 3.47Å; L553-L563 HydrophobicContact CD2-CB 4.36Å; L553-L563 HydrophobicContact CD2-CD1 3.92Å; L553-L563 HydrophobicContact CG-CD1 4.42Å |
| 564 | C | 84.7 | Confident | 79.9 | Confident | 7 Ų | 7 | 74.2 Ų | 74.2 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.8 | 174.7 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | S552 K554 H562 | S552-C564 PolarHBondContact N-O 3Å; S552-C564 PolarHBondContact O-N 2.87Å; S552-C564 VanDerWaalsContact O-O 3.1Å; S552-C564 PolarHBondContact OG-O 3.39Å; K554-C564 HydrophobicContact CD-CB 4.15Å; K554-C564 HydrophobicContact CG-CB 4.28Å; H562-C564 PolarHBondContact CD2-SG 2.91Å; H562-C564 PolarHBondContact NE2-SG 2.79Å |
| 565 | L | 87.5 | Confident | 80.2 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.8 | 168 | -63.9 | 173.6 | 0 | 0 | 0 | 108.9 | V495 L505 Q515 I517 I537 Y549 F551 | V495-L565 HydrophobicContact CG1-CD1 3.93Å; V495-L565 HydrophobicContact CG2-CD1 3.85Å; L505-L565 HydrophobicContact CB-CD1 4.44Å; Q515-L565 PolarHBondContact NE2-O 2.93Å; Q515-L565 PolarHBondContact OE1-O 2.95Å; I517-L565 HydrophobicContact CD1-CB 3.9Å; I517-L565 HydrophobicContact CD1-CD1 4.43Å; I537-L565 HydrophobicContact CD1-CD2 3.71Å; I537-L565 HydrophobicContact CG1-CD2 4.45Å; Y549-L565 HydrophobicContact CD1-CB 4.29Å; F551-L565 HydrophobicContact CD1-CD2 3.63Å; F551-L565 HydrophobicContact CE1-CD2 3.67Å |
| 566 | V | 87 | Confident | 80.9 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.9 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 108.3 | Y549 D550 S552 S568 | Y549-V566 CarbonylContact C-O 3.53Å; Y549-V566 WeakPolarHBondContact CA-O 3.41Å; D550-V566 PolarHBondContact N-O 3.08Å; D550-V566 PolarHBondContact O-N 3.39Å; S552-V566 WeakPolarHBondContact OG-CG2 3.27Å; V566-S568 PolarHBondContact O-N 3.25Å |
| 567 | E | 85.6 | Confident | 82.1 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 120.9 | 174.6 | -69.7 | -172.5 | 165.5 | 0 | 0 | 109.8 | R547 F548 Y549 | R547-E567 IonicContact CZ-OE1 2.66Å; R547-E567 IonicContact NH1-OE1 3.94Å; R547-E567 PolarHBondContact NH1-OE1 3.4Å; R547-E567 IonicContact NH1-OE2 3.25Å; F548-E567 WeakPolarHBondContact O-CA 3.31Å; Y549-E567 HydrophobicContact CD1-CG 3.65Å; Y549-E567 HydrophobicContact CE1-CB 4.48Å; Y549-E567 HydrophobicContact CE1-CG 3.2Å; Y549-E567 WeakPolarHBondContact CE1-OE1 3.13Å; Y549-E567 PolarHBondContact OH-OE1 3.34Å |
| 568 | S | 80 | Confident | 83.5 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -21.8 | -176.5 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | F548 D550 V566 | F548-S568 PolarHBondContact O-N 3.26Å; D550-S568 VanDerWaalsContact CG-OG 3.31Å; D550-S568 WeakPolarHBondContact OD1-CB 3.49Å; D550-S568 PolarHBondContact OD1-OG 2.75Å; D550-S568 VanDerWaalsContact OD2-CB 3.25Å; D550-S568 WeakPolarHBondContact OD2-CB 3.47Å; V566-S568 PolarHBondContact O-N 3.25Å |
| 569 | C | 78.5 | Confident | 84.9 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 32% | 0.324 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.6 | 179.1 | -69.6 | 0 | 0 | 0 | 0 | 110.5 | F548 | F548-C569 HydrophobicContact CB-CB 4.13Å; F548-C569 HydrophobicContact CD2-CB 4.17Å; F548-C569 HydrophobicContact CG-CB 4.36Å |
| 570 | P | 79.9 | Confident | 85.9 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 66% | 0.656 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 148.5 | 170.8 | 26.9 | -34.2 | 0 | 0 | 0 | 110.3 | K572 | P570-K572 PolarHBondContact O-N 2.85Å |
| 571 | S | 84.4 | Confident | 87 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 135.4 | -179.3 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | Q545 | Q545-S571 PolarHBondContact OE1-OG 2.94Å |
| 572 | K | 89.8 | Confident | 87.7 | Confident | 66 Ų | 66 | 43.6 Ų | 43.6 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.4 | 178.7 | -58.2 | -63.4 | -177 | 175.8 | 0 | 109.1 | Q545 V546 F548 P570 F607 | Q545-K572 CarbonylContact C-O 3.56Å; Q545-K572 WeakPolarHBondContact CA-O 3.41Å; V546-K572 HydrophobicContact CB-CB 4.41Å; V546-K572 PolarHBondContact N-O 2.88Å; V546-K572 PolarHBondContact O-N 3.1Å; F548-K572 HydrophobicContact CE2-CG 3.91Å; P570-K572 PolarHBondContact O-N 2.85Å; K572-F607 HydrophobicContact CB-CD1 3.53Å; K572-F607 HydrophobicContact CB-CD2 4.25Å; K572-F607 HydrophobicContact CB-CE1 3.5Å; K572-F607 VanDerWaalsContact CB-CE1 3.5Å; K572-F607 HydrophobicContact CB-CE2 4.22Å; K572-F607 HydrophobicContact CB-CG 3.91Å; K572-F607 HydrophobicContact CB-CZ 3.86Å; K572-F607 HydrophobicContact CD-CB 4.02Å; K572-F607 HydrophobicContact CD-CD1 4.18Å; K572-F607 HydrophobicContact CD-CG 4.12Å; K572-F607 HydrophobicContact CG-CB 4.1Å; K572-F607 HydrophobicContact CG-CD1 3.85Å; K572-F607 HydrophobicContact CG-CD2 4.07Å; K572-F607 HydrophobicContact CG-CE1 4.27Å; K572-F607 HydrophobicContact CG-CE2 4.47Å; K572-F607 HydrophobicContact CG-CG 3.73Å |
| 573 | T | 89.1 | Confident | 88.4 | Confident | 110 Ų | 110 | 41.6 Ų | 41.6 | 68% | 0.675 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 139.4 | -178.6 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 574 | V | 90.3 | Very high | 88.8 | Confident | 16 Ų | 16 | 40.4 Ų | 40.4 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | trans | -116.5 | 163.8 | 175.4 | -166.7 | 0 | 0 | 0 | 0 | 109.4 | K544 V546 D576 I578 L594 F602 F607 | K544-V574 PolarHBondContact O-N 2.81Å; V546-V574 HydrophobicContact CG2-CG2 3.87Å; V574-D576 VanDerWaalsContact C-N 3.3Å; V574-D576 PolarHBondContact O-N 2.72Å; V574-I578 HydrophobicContact CG2-CD1 4.3Å; V574-L594 HydrophobicContact CB-CD2 4.39Å; V574-L594 HydrophobicContact CG1-CD1 3.98Å; V574-L594 HydrophobicContact CG1-CD2 3.53Å; V574-L594 HydrophobicContact CG1-CG 4.35Å; V574-F602 HydrophobicContact CG1-CZ 4.32Å; V574-F607 HydrophobicContact CG2-CE1 4.27Å; V574-F607 HydrophobicContact CG2-CZ 4.15Å | ||
| 575 | S | 88.6 | Confident | 89 | Confident | 60 Ų | 60 | 43 Ų | 43 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -63.6 | -33.9 | -176 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | K544 | K544-S575 PolarHBondContact NZ-O 2.71Š|
| 576 | D | 92.2 | Very high | 89.1 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 19% | 0.193 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -144.7 | 176.3 | -174.4 | -157.8 | 14.7 | 0 | 0 | 0 | 113.3 | K544 V574 N596 | K544-D576 IonicContact NZ-OD1 3.51Å; V574-D576 VanDerWaalsContact C-N 3.3Å; V574-D576 PolarHBondContact O-N 2.72Å; D576-N596 HydrophobicContact CB-CB 4.27Å; D576-N596 WeakPolarHBondContact OD2-CB 2.86Å; D576-N596 PolarHBondContact OD2-N 2.86Å |
| 577 | Q | 92.9 | Very high | 89.2 | Confident | 83 Ų | 83 | 44.7 Ų | 44.7 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | trans | -60.5 | 135.4 | 179 | -53.6 | -169.3 | -12.6 | 0 | 0 | 110.7 | S542 L594 M595 | S542-Q577 WeakPolarHBondContact O-CG 3.42Å; Q577-L594 WeakPolarHBondContact O-CA 3.44Å; Q577-M595 HydrophobicContact CB-CB 4.17Å; Q577-M595 PolarHBondContact O-N 3.46Å | ||
| 578 | I | 94.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128 | -177.7 | -58.3 | 172.7 | 0 | 0 | 0 | 109.1 | R526 G541 Q545 V546 V574 V592 A593 L594 | R526-I578 WeakPolarHBondContact CB-O 3.34Å; R526-I578 VanDerWaalsContact CG-O 3.29Å; R526-I578 WeakPolarHBondContact CG-O 3.37Å; G541-I578 PolarHBondContact O-N 2.82Å; Q545-I578 WeakPolarHBondContact O-CD1 3.44Å; V546-I578 HydrophobicContact CG2-CD1 3.38Å; V574-I578 HydrophobicContact CG2-CD1 4.3Å; I578-V592 HydrophobicContact CB-CG1 4.27Å; I578-V592 HydrophobicContact CD1-CG1 3.96Å; I578-V592 HydrophobicContact CG1-CG1 3.71Å; I578-V592 HydrophobicContact CG2-CG1 3.75Å; I578-A593 WeakPolarHBondContact CA-O 3.25Å; I578-L594 HydrophobicContact CG1-CD2 4.19Å |
| 579 | S | 91.9 | Very high | 90 | Very high | 24 Ų | 24 | 47.3 Ų | 47.3 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -49.3 | 173.9 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | A593 V620 | S579-A593 PolarHBondContact N-O 3.32Å; S579-A593 WeakPolarHBondContact OG-CB 3.41Å; S579-A593 PolarHBondContact OG-O 2.79Å; S579-V620 VanDerWaalsContact CB-O 3.26Å; S579-V620 WeakPolarHBondContact CB-O 3.29Å; S579-V620 PolarHBondContact OG-O 2.86Å |
| 580 | C | 93.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.088 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154.9 | 176.5 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | A593 L623 | C580-A593 PolarHBondContact O-N 3.23Å; C580-A593 WeakPolarHBondContact SG-CB 3.34Å; C580-L623 WeakPolarHBondContact SG-CB 3.35Å |
| 581 | L | 94.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 133.7 | -178.3 | -175.2 | 147.4 | 0 | 0 | 0 | 109.6 | S527 A529 I538 V546 V583 V590 V591 V592 | S527-L581 VanDerWaalsContact CB-N 3.34Å; S527-L581 PolarHBondContact OG-N 3.33Å; S527-L581 PolarHBondContact OG-O 3.13Å; A529-L581 HydrophobicContact CB-CD2 3.59Å; I538-L581 HydrophobicContact CB-CD2 3.97Å; I538-L581 HydrophobicContact CG2-CD1 3.7Å; I538-L581 HydrophobicContact CG2-CD2 3.81Å; I538-L581 HydrophobicContact CG2-CG 4.44Å; V546-L581 HydrophobicContact CG1-CD1 3.94Å; V546-L581 HydrophobicContact CG2-CD1 4.13Å; L581-V583 HydrophobicContact CD2-CG2 4.09Å; L581-V590 HydrophobicContact CD1-CG1 4.1Å; L581-V590 HydrophobicContact CD2-CG1 4.18Å; L581-V590 HydrophobicContact CG-CG1 4.04Å; L581-V591 WeakPolarHBondContact CA-O 3.44Å; L581-V592 HydrophobicContact CD1-CG2 4.1Å; L581-V592 HydrophobicContact CG-CG2 4.47Å |
| 582 | A | 94.3 | Very high | 92 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V591 L623 I625 | A582-V591 PolarHBondContact N-O 3.37Å; A582-V591 PolarHBondContact O-N 2.79Å; A582-L623 HydrophobicContact CB-CD2 3.63Å; A582-L623 HydrophobicContact CB-CG 4.16Å; A582-I625 HydrophobicContact CB-CD1 3.99Å; A582-I625 HydrophobicContact CB-CG1 4.15Å |
| 583 | V | 93.4 | Very high | 92.2 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.9 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | A529 T531 I538 L581 | A529-V583 HydrophobicContact CB-CG2 3.83Å; T531-V583 HydrophobicContact CG2-CG1 4.36Å; I538-V583 HydrophobicContact CD1-CG2 3.61Å; I538-V583 HydrophobicContact CG1-CG2 4.31Å; L581-V583 HydrophobicContact CD2-CG2 4.09Å |
| 584 | S | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -63.8 | 139.2 | 177 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | N586 N587 R588 L589 | S584-N586 WeakPolarHBondContact CB-OD1 3.37Å; S584-N586 PolarHBondContact O-N 3.24Å; S584-N586 PolarHBondContact OG-OD1 3.45Å; S584-N587 PolarHBondContact O-N 2.97Å; S584-N587 PolarHBondContact OG-N 2.79Å; S584-R588 PolarHBondContact OG-N 3.01Å; S584-R588 VanDerWaalsContact OG-N 3.14Å; S584-L589 PolarHBondContact N-O 3.3Å; S584-L589 PolarHBondContact OG-N 2.88Å; S584-L589 PolarHBondContact OG-O 2.91Å; S584-L589 VanDerWaalsContact OG-O 3.04Å | ||
| 585 | P | 88.7 | Confident | 92.6 | Very high | 61 Ų | 61 | 32.2 Ų | 32.2 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27.3 | 177.2 | -28.7 | 34.2 | 0 | 0 | 0 | 115.1 | N587 S629 | P585-N587 VanDerWaalsContact C-N 3.34Å; P585-S629 WeakPolarHBondContact CD-OG 3.16Å |
| 586 | N | 89 | Confident | 92.7 | Very high | 71 Ų | 71 | 31.9 Ų | 31.9 | 38% | 0.38 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.6 | 176.3 | 67.1 | -5.5 | 0 | 0 | 0 | 114.5 | S584 R588 S629 | S584-N586 WeakPolarHBondContact CB-OD1 3.37Å; S584-N586 PolarHBondContact O-N 3.24Å; S584-N586 PolarHBondContact OG-OD1 3.45Å; N586-R588 PolarHBondContact O-N 2.8Å; N586-R588 VanDerWaalsContact O-N 3.08Å; N586-R588 PolarHBondContact OD1-N 2.85Å; N586-S629 VanDerWaalsContact CG-OG 3.26Å; N586-S629 PolarHBondContact OD1-OG 3.24Å; N586-S629 VanDerWaalsContact OD1-OG 3.13Å |
| 587 | N | 89.1 | Confident | 92.7 | Very high | 23 Ų | 23 | 34.2 Ų | 34.2 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 55.7 | 20.3 | -180 | -57.5 | -51.4 | 0 | 0 | 0 | 116.6 | T531 G532 D533 S584 P585 T604 | T531-N587 WeakPolarHBondContact CB-OD1 3.41Å; G532-N587 VanDerWaalsContact CA-OD1 3.28Å; G532-N587 WeakPolarHBondContact CA-OD1 3.39Å; G532-N587 PolarHBondContact N-OD1 3.36Å; D533-N587 WeakPolarHBondContact CB-ND2 3.37Å; D533-N587 PolarHBondContact N-ND2 3.42Å; D533-N587 PolarHBondContact N-OD1 3.43Å; D533-N587 PolarHBondContact OD1-ND2 2.8Å; D533-N587 PolarHBondContact OD2-ND2 2.94Å; S584-N587 PolarHBondContact O-N 2.97Å; S584-N587 PolarHBondContact OG-N 2.79Å; P585-N587 VanDerWaalsContact C-N 3.34Å; N587-T604 WeakPolarHBondContact O-CB 3.12Å; N587-T604 VanDerWaalsContact O-CG2 3.24Å; N587-T604 WeakPolarHBondContact O-CG2 3.45Å; N587-T604 PolarHBondContact O-OG1 2.93Å |
| 588 | R | 90.8 | Very high | 92.8 | Very high | 170 Ų | 170 | 33.7 Ų | 33.7 | 64% | 0.642 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -88.8 | -29.1 | 178.4 | -69.6 | -175 | 176.3 | -178.7 | -2.1 | 112.5 | S584 N586 F603 T604 | S584-R588 PolarHBondContact OG-N 3.01Å; S584-R588 VanDerWaalsContact OG-N 3.14Å; N586-R588 PolarHBondContact O-N 2.8Å; N586-R588 VanDerWaalsContact O-N 3.08Å; N586-R588 PolarHBondContact OD1-N 2.85Å; R588-F603 WeakPolarHBondContact O-CA 3.39Å; R588-T604 PolarHBondContact O-N 3.24Å; R588-T604 PolarHBondContact O-OG1 2.86Å |
| 589 | L | 92.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 33.6 Ų | 33.6 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.5 | -164.6 | -57.7 | 170.8 | 0 | 0 | 0 | 111.3 | S584 V601 F602 F603 I610 L646 | S584-L589 PolarHBondContact N-O 3.3Å; S584-L589 PolarHBondContact OG-N 2.88Å; S584-L589 PolarHBondContact OG-O 2.91Å; S584-L589 VanDerWaalsContact OG-O 3.04Å; L589-V601 HydrophobicContact CB-CG1 4.47Å; L589-V601 HydrophobicContact CD2-CG1 4.22Å; L589-F602 CarbonylContact C-O 3.59Å; L589-F602 VanDerWaalsContact CA-O 3.28Å; L589-F602 WeakPolarHBondContact CA-O 3.3Å; L589-F603 HydrophobicContact CD2-CD1 3.77Å; L589-F603 HydrophobicContact CD2-CE1 3.92Å; L589-I610 HydrophobicContact CD2-CD1 3.18Å; L589-L646 HydrophobicContact CD1-CD1 4.06Å; L589-L646 HydrophobicContact CD1-CD2 3.16Å; L589-L646 HydrophobicContact CD1-CG 3.63Å |
| 590 | V | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.6 | 167.8 | -175.7 | 0 | 0 | 0 | 0 | 107 | I538 L581 V592 F602 T604 | I538-V590 HydrophobicContact CD1-CG1 4.41Å; I538-V590 HydrophobicContact CD1-CG2 3.68Å; L581-V590 HydrophobicContact CD1-CG1 4.1Å; L581-V590 HydrophobicContact CD2-CG1 4.18Å; L581-V590 HydrophobicContact CG-CG1 4.04Å; V590-V592 HydrophobicContact CG1-CG2 4.09Å; V590-F602 PolarHBondContact N-O 2.79Å; V590-F602 PolarHBondContact O-N 3.32Å; V590-T604 HydrophobicContact CG2-CG2 3.39Å |
| 591 | V | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.5 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 108 | L581 A582 V599 D600 V601 L623 I625 I632 | L581-V591 WeakPolarHBondContact CA-O 3.44Å; A582-V591 PolarHBondContact N-O 3.37Å; A582-V591 PolarHBondContact O-N 2.79Å; V591-V599 HydrophobicContact CG1-CG1 3.32Å; V591-D600 WeakPolarHBondContact CA-O 3.36Å; V591-V601 HydrophobicContact CG1-CG2 4.23Å; V591-V601 HydrophobicContact CG2-CB 4.48Å; V591-V601 HydrophobicContact CG2-CG1 4.15Å; V591-V601 HydrophobicContact CG2-CG2 4.09Å; V591-L623 HydrophobicContact CB-CD2 3.72Å; V591-L623 HydrophobicContact CG1-CD1 3.89Å; V591-L623 HydrophobicContact CG1-CD2 3.48Å; V591-L623 VanDerWaalsContact CG1-CD2 3.48Å; V591-L623 HydrophobicContact CG1-CG 4.27Å; V591-I625 HydrophobicContact CB-CD1 4.2Å; V591-I625 HydrophobicContact CG2-CD1 3.65Å; V591-I625 HydrophobicContact CG2-CG1 4.32Å; V591-I632 HydrophobicContact CG1-CD1 4.19Å; V591-I632 HydrophobicContact CG2-CD1 3.99Å |
| 592 | V | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.1 | -174.4 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | V546 I578 L581 V590 L594 V599 D600 F602 | V546-V592 HydrophobicContact CG2-CG2 4.34Å; I578-V592 HydrophobicContact CB-CG1 4.27Å; I578-V592 HydrophobicContact CD1-CG1 3.96Å; I578-V592 HydrophobicContact CG1-CG1 3.71Å; I578-V592 HydrophobicContact CG2-CG1 3.75Å; L581-V592 HydrophobicContact CD1-CG2 4.1Å; L581-V592 HydrophobicContact CG-CG2 4.47Å; V590-V592 HydrophobicContact CG1-CG2 4.09Å; V592-L594 HydrophobicContact CG1-CD2 3.83Å; V592-V599 CarbonylContact O-C 3.59Å; V592-V599 WeakPolarHBondContact O-CA 3.09Å; V592-D600 PolarHBondContact N-O 2.73Å; V592-D600 PolarHBondContact O-N 2.87Å; V592-F602 HydrophobicContact CB-CD2 4.41Å; V592-F602 HydrophobicContact CB-CE2 4.09Å; V592-F602 HydrophobicContact CG2-CD2 3.87Å; V592-F602 HydrophobicContact CG2-CE2 3.91Å |
| 593 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 139 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I578 S579 C580 V599 V620 | I578-A593 WeakPolarHBondContact CA-O 3.25Å; S579-A593 PolarHBondContact N-O 3.32Å; S579-A593 WeakPolarHBondContact OG-CB 3.41Å; S579-A593 PolarHBondContact OG-O 2.79Å; C580-A593 PolarHBondContact O-N 3.23Å; C580-A593 WeakPolarHBondContact SG-CB 3.34Å; A593-V599 HydrophobicContact CB-CG2 4.18Å; A593-V620 HydrophobicContact CB-CB 3.99Å; A593-V620 HydrophobicContact CB-CG1 3.87Å |
| 594 | L | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 156.2 | -170.7 | -61.1 | 175.2 | 0 | 0 | 0 | 111.5 | V574 Q577 I578 V592 N596 F597 H598 | V574-L594 HydrophobicContact CB-CD2 4.39Å; V574-L594 HydrophobicContact CG1-CD1 3.98Å; V574-L594 HydrophobicContact CG1-CD2 3.53Å; V574-L594 HydrophobicContact CG1-CG 4.35Å; Q577-L594 WeakPolarHBondContact O-CA 3.44Å; I578-L594 HydrophobicContact CG1-CD2 4.19Å; V592-L594 HydrophobicContact CG1-CD2 3.83Å; L594-N596 WeakPolarHBondContact CB-OD1 2.91Å; L594-N596 PolarHBondContact O-N 2.92Å; L594-F597 PolarHBondContact O-N 3.28Å; L594-H598 WeakPolarHBondContact CB-O 3.23Å; L594-H598 PolarHBondContact N-O 3.4Å |
| 595 | M | 93 | Very high | 92.4 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24.2 | 176.2 | -167.4 | 60.9 | 64.4 | 0 | 0 | 112.7 | Q577 F597 P619 | Q577-M595 HydrophobicContact CB-CB 4.17Å; Q577-M595 PolarHBondContact O-N 3.46Å; M595-F597 WeakPolarHBondContact O-CD1 3.47Å; M595-F597 VanDerWaalsContact O-CE1 3.24Å; M595-F597 WeakPolarHBondContact O-CE1 3.3Å; M595-F597 PolarHBondContact O-N 3.02Å; M595-F597 VanDerWaalsContact O-N 3.09Å; M595-P619 HydrophobicContact SD-CB 3.66Å; M595-P619 HydrophobicContact SD-CG 3.94Å |
| 596 | N | 91.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 16 | 171.9 | 70.7 | -0.3 | 0 | 0 | 0 | 114.4 | D576 L594 H598 | D576-N596 HydrophobicContact CB-CB 4.27Å; D576-N596 WeakPolarHBondContact OD2-CB 2.86Å; D576-N596 PolarHBondContact OD2-N 2.86Å; L594-N596 WeakPolarHBondContact CB-OD1 2.91Å; L594-N596 PolarHBondContact O-N 2.92Å; N596-H598 PolarHBondContact O-CD2 3.29Å; N596-H598 PolarHBondContact O-N 2.88Å; N596-H598 WeakPolarHBondContact OD1-CB 3Å; N596-H598 PolarHBondContact OD1-N 3.26Å |
| 597 | F | 93.2 | Very high | 92.4 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 37% | 0.373 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 73.9 | -4.4 | 175.5 | -37.7 | -28.2 | 0 | 0 | 0 | 115.4 | L594 M595 H616 P619 | L594-F597 PolarHBondContact O-N 3.28Å; M595-F597 WeakPolarHBondContact O-CD1 3.47Å; M595-F597 VanDerWaalsContact O-CE1 3.24Å; M595-F597 WeakPolarHBondContact O-CE1 3.3Å; M595-F597 PolarHBondContact O-N 3.02Å; M595-F597 VanDerWaalsContact O-N 3.09Å; F597-H616 HydrophobicContact CB-CB 4.45Å; F597-P619 HydrophobicContact CD1-CB 4.05Å; F597-P619 HydrophobicContact CD1-CG 4.49Å; F597-P619 HydrophobicContact CE1-CB 4.34Å; F597-P619 VanDerWaalsContact CE1-CD 3.48Å; F597-P619 HydrophobicContact CE1-CG 4.37Å |
| 598 | H | 93.6 | Very high | 92.5 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 33% | 0.329 | 23% | 0.226 | S | C | . | . | trans | -85.3 | 153.7 | 178 | -65.1 | -74.3 | 0 | 0 | 0 | 112.1 | L594 N596 | L594-H598 WeakPolarHBondContact CB-O 3.23Å; L594-H598 PolarHBondContact N-O 3.4Å; N596-H598 PolarHBondContact O-CD2 3.29Å; N596-H598 PolarHBondContact O-N 2.88Å; N596-H598 WeakPolarHBondContact OD1-CB 3Å; N596-H598 PolarHBondContact OD1-N 3.26Å | ||
| 599 | V | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 113.7 | 169 | -180 | 0 | 0 | 0 | 0 | 108.3 | V591 V592 A593 L613 V620 L623 T634 | V591-V599 HydrophobicContact CG1-CG1 3.32Å; V592-V599 CarbonylContact O-C 3.59Å; V592-V599 WeakPolarHBondContact O-CA 3.09Å; A593-V599 HydrophobicContact CB-CG2 4.18Å; V599-L613 HydrophobicContact CB-CB 4.13Å; V599-L613 HydrophobicContact CB-CD1 4.15Å; V599-L613 HydrophobicContact CB-CG 4.45Å; V599-L613 HydrophobicContact CG1-CD1 4.07Å; V599-L613 PolarHBondContact N-O 2.87Å; V599-L613 WeakPolarHBondContact O-CB 3.47Å; V599-L613 WeakPolarHBondContact O-CG 3.36Å; V599-L613 PolarHBondContact O-N 2.91Å; V599-V620 HydrophobicContact CG2-CB 4.31Å; V599-V620 HydrophobicContact CG2-CG1 4.28Å; V599-V620 HydrophobicContact CG2-CG2 3.82Å; V599-L623 HydrophobicContact CG1-CD1 3.94Å; V599-T634 HydrophobicContact CG2-CG2 3.98Å |
| 600 | D | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.8 | -178.9 | -76.2 | -11.9 | 0 | 0 | 0 | 110.5 | V591 V592 F602 R609 S612 | V591-D600 WeakPolarHBondContact CA-O 3.36Å; V592-D600 PolarHBondContact N-O 2.73Å; V592-D600 PolarHBondContact O-N 2.87Å; D600-F602 HydrophobicContact CB-CD2 4.24Å; D600-F602 HydrophobicContact CB-CE2 3.43Å; D600-F602 VanDerWaalsContact CB-CE2 3.43Å; D600-F602 HydrophobicContact CB-CZ 3.74Å; D600-R609 IonicContact OD1-NE 3.58Å; D600-R609 IonicContact OD2-CZ 3.59Å; D600-R609 IonicContact OD2-NE 3.47Å; D600-R609 PolarHBondContact OD2-NE 3.45Å; D600-R609 IonicContact OD2-NH2 2.7Å; D600-R609 PolarHBondContact OD2-NH2 2.76Å; D600-S612 VanDerWaalsContact OD1-CB 3.29Å; D600-S612 WeakPolarHBondContact OD1-CB 3.07Å; D600-S612 PolarHBondContact OD1-OG 2.91Å |
| 601 | V | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.4 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | L589 V591 I610 H611 L613 I632 L646 | L589-V601 HydrophobicContact CB-CG1 4.47Å; L589-V601 HydrophobicContact CD2-CG1 4.22Å; V591-V601 HydrophobicContact CG1-CG2 4.23Å; V591-V601 HydrophobicContact CG2-CB 4.48Å; V591-V601 HydrophobicContact CG2-CG1 4.15Å; V591-V601 HydrophobicContact CG2-CG2 4.09Å; V601-I610 HydrophobicContact CG1-CB 4.48Å; V601-I610 HydrophobicContact CG1-CD1 4.2Å; V601-I610 PolarHBondContact O-N 2.92Å; V601-H611 HydrophobicContact CB-CB 4.28Å; V601-H611 HydrophobicContact CG2-CB 4.26Å; V601-H611 PolarHBondContact N-O 2.96Å; V601-L613 HydrophobicContact CG2-CD1 4.38Å; V601-I632 HydrophobicContact CG2-CD1 3.97Å; V601-L646 HydrophobicContact CG1-CD1 3.88Å; V601-L646 HydrophobicContact CG2-CD1 4.2Å |
| 602 | F | 94.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 150.4 | 179.5 | -62.6 | -83.8 | 0 | 0 | 0 | 111.1 | V574 L589 V590 V592 D600 F607 K608 R609 | V574-F602 HydrophobicContact CG1-CZ 4.32Å; L589-F602 CarbonylContact C-O 3.59Å; L589-F602 VanDerWaalsContact CA-O 3.28Å; L589-F602 WeakPolarHBondContact CA-O 3.3Å; V590-F602 PolarHBondContact N-O 2.79Å; V590-F602 PolarHBondContact O-N 3.32Å; V592-F602 HydrophobicContact CB-CD2 4.41Å; V592-F602 HydrophobicContact CB-CE2 4.09Å; V592-F602 HydrophobicContact CG2-CD2 3.87Å; V592-F602 HydrophobicContact CG2-CE2 3.91Å; D600-F602 HydrophobicContact CB-CD2 4.24Å; D600-F602 HydrophobicContact CB-CE2 3.43Å; D600-F602 VanDerWaalsContact CB-CE2 3.43Å; D600-F602 HydrophobicContact CB-CZ 3.74Å; F602-F607 HydrophobicContact CB-CD2 4.13Å; F602-F607 HydrophobicContact CB-CE2 4.17Å; F602-F607 HydrophobicContact CD1-CD1 4.03Å; F602-F607 AromaticContact CD1-CE1 3.95Å; F602-F607 HydrophobicContact CD1-CE1 3.95Å; F602-F607 HydrophobicContact CD1-CG 4.36Å; F602-F607 HydrophobicContact CD1-CZ 4.21Å; F602-F607 WeakPolarHBondContact CD1-O 3.3Å; F602-F607 HydrophobicContact CD2-CE1 4.48Å; F602-F607 HydrophobicContact CD2-CE2 4.23Å; F602-F607 AromaticContact CD2-CZ 3.99Å; F602-F607 HydrophobicContact CD2-CZ 3.99Å; F602-F607 HydrophobicContact CE1-CD1 4.28Å; F602-F607 AromaticContact CE1-CE1 3.92Å; F602-F607 HydrophobicContact CE1-CE1 3.92Å; F602-F607 HydrophobicContact CE1-CZ 4.37Å; F602-F607 HydrophobicContact CE2-CE1 4.44Å; F602-F607 HydrophobicContact CE2-CZ 4.15Å; F602-F607 HydrophobicContact CG-CD1 4.49Å; F602-F607 HydrophobicContact CG-CD2 4.33Å; F602-F607 HydrophobicContact CG-CE1 4.24Å; F602-F607 HydrophobicContact CG-CE2 4.07Å; F602-F607 HydrophobicContact CG-CZ 4.03Å; F602-F607 HydrophobicContact CZ-CE1 4.18Å; F602-F607 HydrophobicContact CZ-CZ 4.34Å; F602-K608 WeakPolarHBondContact CA-O 3.5Å; F602-R609 HydrophobicContact CD1-CB 3.94Å; F602-R609 HydrophobicContact CE1-CB 3.69Å; F602-R609 HydrophobicContact CE1-CG 4.14Å |
| 603 | F | 93.3 | Very high | 92.3 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 40% | 0.395 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.8 | 161.7 | -73.6 | -67.9 | 0 | 0 | 0 | 110.5 | R588 L589 F607 K608 I610 | R588-F603 WeakPolarHBondContact O-CA 3.39Å; L589-F603 HydrophobicContact CD2-CD1 3.77Å; L589-F603 HydrophobicContact CD2-CE1 3.92Å; F603-F607 WeakPolarHBondContact O-CA 3.25Å; F603-F607 PolarHBondContact O-N 2.84Å; F603-K608 HydrophobicContact CD2-CB 4.42Å; F603-K608 PolarHBondContact N-O 2.89Å; F603-I610 HydrophobicContact CD1-CD1 3.72Å; F603-I610 HydrophobicContact CD2-CD1 3.6Å; F603-I610 HydrophobicContact CD2-CG1 3.52Å; F603-I610 HydrophobicContact CE1-CD1 3.49Å; F603-I610 VanDerWaalsContact CE1-CD1 3.49Å; F603-I610 HydrophobicContact CE1-CG1 4.4Å; F603-I610 HydrophobicContact CE2-CD1 3.39Å; F603-I610 HydrophobicContact CE2-CG1 3.36Å; F603-I610 HydrophobicContact CG-CD1 3.77Å; F603-I610 HydrophobicContact CG-CG1 4.14Å; F603-I610 HydrophobicContact CZ-CD1 3.32Å; F603-I610 HydrophobicContact CZ-CG1 3.84Å |
| 604 | T | 88.4 | Confident | 92.1 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -44.7 | 176.7 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | N587 R588 V590 | N587-T604 WeakPolarHBondContact O-CB 3.12Å; N587-T604 VanDerWaalsContact O-CG2 3.24Å; N587-T604 WeakPolarHBondContact O-CG2 3.45Å; N587-T604 PolarHBondContact O-OG1 2.93Å; R588-T604 PolarHBondContact O-N 3.24Å; R588-T604 PolarHBondContact O-OG1 2.86Å; V590-T604 HydrophobicContact CG2-CG2 3.39Å |
| 605 | D | 86.5 | Confident | 91.9 | Very high | 155 Ų | 155 | 62.2 Ų | 62.2 | 83% | 0.829 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -49.1 | -171.8 | -58.4 | -29.4 | 0 | 0 | 0 | 112.7 | ||
| 606 | S | 87.7 | Confident | 91.9 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -16.7 | -174.9 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | K608 | S606-K608 PolarHBondContact O-N 3.22Å; S606-K608 WeakPolarHBondContact OG-CB 3.16Å; S606-K608 PolarHBondContact OG-N 3Å |
| 607 | F | 88.7 | Confident | 92 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | trans | 53.2 | 28.3 | -166.8 | -151.2 | -102.1 | 0 | 0 | 0 | 113.4 | V546 F548 K572 V574 F602 F603 | V546-F607 HydrophobicContact CB-CE2 4.26Å; V546-F607 HydrophobicContact CB-CZ 4.07Å; V546-F607 HydrophobicContact CG1-CE2 4.18Å; V546-F607 HydrophobicContact CG1-CZ 4.47Å; V546-F607 HydrophobicContact CG2-CE2 4.4Å; V546-F607 HydrophobicContact CG2-CZ 3.94Å; F548-F607 HydrophobicContact CE2-CD2 4.33Å; F548-F607 HydrophobicContact CZ-CD2 4.06Å; F548-F607 HydrophobicContact CZ-CE2 4.33Å; K572-F607 HydrophobicContact CB-CD1 3.53Å; K572-F607 HydrophobicContact CB-CD2 4.25Å; K572-F607 HydrophobicContact CB-CE1 3.5Å; K572-F607 VanDerWaalsContact CB-CE1 3.5Å; K572-F607 HydrophobicContact CB-CE2 4.22Å; K572-F607 HydrophobicContact CB-CG 3.91Å; K572-F607 HydrophobicContact CB-CZ 3.86Å; K572-F607 HydrophobicContact CD-CB 4.02Å; K572-F607 HydrophobicContact CD-CD1 4.18Å; K572-F607 HydrophobicContact CD-CG 4.12Å; K572-F607 HydrophobicContact CG-CB 4.1Å; K572-F607 HydrophobicContact CG-CD1 3.85Å; K572-F607 HydrophobicContact CG-CD2 4.07Å; K572-F607 HydrophobicContact CG-CE1 4.27Å; K572-F607 HydrophobicContact CG-CE2 4.47Å; K572-F607 HydrophobicContact CG-CG 3.73Å; V574-F607 HydrophobicContact CG2-CE1 4.27Å; V574-F607 HydrophobicContact CG2-CZ 4.15Å; F602-F607 HydrophobicContact CB-CD2 4.13Å; F602-F607 HydrophobicContact CB-CE2 4.17Å; F602-F607 HydrophobicContact CD1-CD1 4.03Å; F602-F607 AromaticContact CD1-CE1 3.95Å; F602-F607 HydrophobicContact CD1-CE1 3.95Å; F602-F607 HydrophobicContact CD1-CG 4.36Å; F602-F607 HydrophobicContact CD1-CZ 4.21Å; F602-F607 WeakPolarHBondContact CD1-O 3.3Å; F602-F607 HydrophobicContact CD2-CE1 4.48Å; F602-F607 HydrophobicContact CD2-CE2 4.23Å; F602-F607 AromaticContact CD2-CZ 3.99Å; F602-F607 HydrophobicContact CD2-CZ 3.99Å; F602-F607 HydrophobicContact CE1-CD1 4.28Å; F602-F607 AromaticContact CE1-CE1 3.92Å; F602-F607 HydrophobicContact CE1-CE1 3.92Å; F602-F607 HydrophobicContact CE1-CZ 4.37Å; F602-F607 HydrophobicContact CE2-CE1 4.44Å; F602-F607 HydrophobicContact CE2-CZ 4.15Å; F602-F607 HydrophobicContact CG-CD1 4.49Å; F602-F607 HydrophobicContact CG-CD2 4.33Å; F602-F607 HydrophobicContact CG-CE1 4.24Å; F602-F607 HydrophobicContact CG-CE2 4.07Å; F602-F607 HydrophobicContact CG-CZ 4.03Å; F602-F607 HydrophobicContact CZ-CE1 4.18Å; F602-F607 HydrophobicContact CZ-CZ 4.34Å; F603-F607 WeakPolarHBondContact O-CA 3.25Å; F603-F607 PolarHBondContact O-N 2.84Å | ||
| 608 | K | 91.8 | Very high | 92.1 | Very high | 148 Ų | 148 | 57.6 Ų | 57.6 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | trans | -78.1 | 129.9 | 172.7 | -173.6 | 178.2 | 179.7 | -178.6 | 0 | 109.6 | F602 F603 S606 | F602-K608 WeakPolarHBondContact CA-O 3.5Å; F603-K608 HydrophobicContact CD2-CB 4.42Å; F603-K608 PolarHBondContact N-O 2.89Å; S606-K608 PolarHBondContact O-N 3.22Å; S606-K608 WeakPolarHBondContact OG-CB 3.16Å; S606-K608 PolarHBondContact OG-N 3Å | ||
| 609 | R | 91 | Very high | 92.1 | Very high | 120 Ų | 120 | 55.7 Ų | 55.7 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 131 | 174.5 | -171 | -175.3 | -75.7 | 162.6 | -8.6 | 110 | D600 F602 | D600-R609 IonicContact OD1-NE 3.58Å; D600-R609 IonicContact OD2-CZ 3.59Å; D600-R609 IonicContact OD2-NE 3.47Å; D600-R609 PolarHBondContact OD2-NE 3.45Å; D600-R609 IonicContact OD2-NH2 2.7Å; D600-R609 PolarHBondContact OD2-NH2 2.76Å; F602-R609 HydrophobicContact CD1-CB 3.94Å; F602-R609 HydrophobicContact CE1-CB 3.69Å; F602-R609 HydrophobicContact CE1-CG 4.14Å |
| 610 | I | 92.1 | Very high | 92.1 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -63.6 | 177.5 | -52.8 | 178 | 0 | 0 | 0 | 109 | L589 V601 F603 | L589-I610 HydrophobicContact CD2-CD1 3.18Å; V601-I610 HydrophobicContact CG1-CB 4.48Å; V601-I610 HydrophobicContact CG1-CD1 4.2Å; V601-I610 PolarHBondContact O-N 2.92Å; F603-I610 HydrophobicContact CD1-CD1 3.72Å; F603-I610 HydrophobicContact CD2-CD1 3.6Å; F603-I610 HydrophobicContact CD2-CG1 3.52Å; F603-I610 HydrophobicContact CE1-CD1 3.49Å; F603-I610 VanDerWaalsContact CE1-CD1 3.49Å; F603-I610 HydrophobicContact CE1-CG1 4.4Å; F603-I610 HydrophobicContact CE2-CD1 3.39Å; F603-I610 HydrophobicContact CE2-CG1 3.36Å; F603-I610 HydrophobicContact CG-CD1 3.77Å; F603-I610 HydrophobicContact CG-CG1 4.14Å; F603-I610 HydrophobicContact CZ-CD1 3.32Å; F603-I610 HydrophobicContact CZ-CG1 3.84Å |
| 611 | H | 91.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 21% | 0.213 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.5 | -174.7 | -63.3 | -49 | 0 | 0 | 0 | 109.2 | V601 L613 L646 Q647 F648 | V601-H611 HydrophobicContact CB-CB 4.28Å; V601-H611 HydrophobicContact CG2-CB 4.26Å; V601-H611 PolarHBondContact N-O 2.96Å; H611-L613 HydrophobicContact CB-CD2 4.2Å; H611-L646 PolarHBondContact CD2-O 3.08Å; H611-L646 PolarHBondContact NE2-O 2.64Å; H611-Q647 PolarHBondContact NE2-O 3.37Å; H611-F648 PolarHBondContact CE1-O 2.68Å |
| 612 | S | 92.8 | Very high | 92 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 106.3 | 165.2 | -166.6 | 0 | 0 | 0 | 0 | 107.2 | D600 | D600-S612 VanDerWaalsContact OD1-CB 3.29Å; D600-S612 WeakPolarHBondContact OD1-CB 3.07Å; D600-S612 PolarHBondContact OD1-OG 2.91Å |
| 613 | L | 94.2 | Very high | 92 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 125 | -175.5 | -49.6 | 175.3 | 0 | 0 | 0 | 108.5 | V599 V601 H611 I632 W644 G649 | V599-L613 HydrophobicContact CB-CB 4.13Å; V599-L613 HydrophobicContact CB-CD1 4.15Å; V599-L613 HydrophobicContact CB-CG 4.45Å; V599-L613 HydrophobicContact CG1-CD1 4.07Å; V599-L613 PolarHBondContact N-O 2.87Å; V599-L613 WeakPolarHBondContact O-CB 3.47Å; V599-L613 WeakPolarHBondContact O-CG 3.36Å; V599-L613 PolarHBondContact O-N 2.91Å; V601-L613 HydrophobicContact CG2-CD1 4.38Å; H611-L613 HydrophobicContact CB-CD2 4.2Å; L613-I632 HydrophobicContact CD1-CD1 3.98Å; L613-W644 HydrophobicContact CB-CD2 4.19Å; L613-W644 HydrophobicContact CB-CE3 4.05Å; L613-W644 HydrophobicContact CB-CH2 4.28Å; L613-W644 HydrophobicContact CB-CZ2 4.36Å; L613-W644 HydrophobicContact CB-CZ3 4.08Å; L613-W644 HydrophobicContact CD1-CB 4.08Å; L613-W644 HydrophobicContact CD1-CD2 3.9Å; L613-W644 HydrophobicContact CD1-CE3 4.27Å; L613-W644 HydrophobicContact CD1-CG 3.79Å; L613-W644 HydrophobicContact CD2-CD2 4.35Å; L613-W644 HydrophobicContact CD2-CE3 3.87Å; L613-W644 HydrophobicContact CD2-CZ3 4.41Å; L613-W644 HydrophobicContact CG-CD2 4.37Å; L613-W644 HydrophobicContact CG-CE3 4.28Å; L613-G649 WeakPolarHBondContact CD2-O 3.38Å |
| 614 | Y | 92.5 | Very high | 92.1 | Very high | 180 Ų | 180 | 54.6 Ų | 54.6 | 71% | 0.706 | 29% | 0.293 | S | S | * | . | trans | -118.7 | 149.6 | -174.3 | 61.1 | -90.9 | 0 | 0 | 0 | 111.9 | W644 | Y614-W644 WeakPolarHBondContact O-CH2 3.39Š| ||
| 615 | G | 88.8 | Confident | 92.4 | Very high | 40 Ų | 40 | 54 Ų | 54 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | trans | 133 | -12.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R642 | G615-R642 VanDerWaalsContact CA-NH1 3.26Å; G615-R642 PolarHBondContact O-NH1 3.42Å; G615-R642 PolarHBondContact O-NH2 3.16Å | ||
| 616 | H | 93.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | trans | -62.4 | 138.4 | 168.3 | -77.9 | -69 | 0 | 0 | 0 | 109.8 | F597 A618 V620 T634 S636 D638 R642 | F597-H616 HydrophobicContact CB-CB 4.45Å; H616-A618 VanDerWaalsContact C-N 3.34Å; H616-V620 HydrophobicContact CB-CG2 4.34Å; H616-V620 VanDerWaalsContact CD2-CG2 3.48Å; H616-V620 WeakPolarHBondContact CD2-CG2 3.17Å; H616-T634 PolarHBondContact NE2-OG1 3.03Å; H616-T634 VanDerWaalsContact NE2-OG1 3.08Å; H616-S636 VanDerWaalsContact ND1-CB 3.28Å; H616-S636 WeakPolarHBondContact ND1-CB 3.41Å; H616-D638 IonicContact CG-OD2 2.73Å; H616-D638 IonicContact ND1-OD1 3.1Å; H616-D638 IonicContact ND1-OD2 3.71Å; H616-D638 PolarHBondContact ND1-OD2 2.95Å; H616-R642 VanDerWaalsContact CE1-CD 3.48Å; H616-R642 WeakPolarHBondContact CE1-CD 3.42Å | ||
| 617 | S | 93.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 62% | 0.622 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -92.2 | -2.4 | 179.1 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | D638 | S617-D638 PolarHBondContact N-OD2 2.91Å; S617-D638 WeakPolarHBondContact OG-CB 3.47Å |
| 618 | A | 94.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -151.2 | 163.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | H616 V620 S636 T637 D638 | H616-A618 VanDerWaalsContact C-N 3.34Å; A618-V620 PolarHBondContact O-N 3.01Å; A618-S636 PolarHBondContact O-OG 3.39Å; A618-T637 WeakPolarHBondContact CB-OG1 3.05Å; A618-D638 HydrophobicContact CB-CB 3.87Å |
| 619 | P | 93.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 20% | 0.195 | 23% | 0.234 | C | C | . | . | trans | -64.5 | 140.4 | -173.5 | 26.3 | -34.1 | 0 | 0 | 0 | 111.5 | M595 F597 T621 S636 T637 | M595-P619 HydrophobicContact SD-CB 3.66Å; M595-P619 HydrophobicContact SD-CG 3.94Å; F597-P619 HydrophobicContact CD1-CB 4.05Å; F597-P619 HydrophobicContact CD1-CG 4.49Å; F597-P619 HydrophobicContact CE1-CB 4.34Å; F597-P619 VanDerWaalsContact CE1-CD 3.48Å; F597-P619 HydrophobicContact CE1-CG 4.37Å; P619-T621 PolarHBondContact O-N 2.83Å; P619-S636 PolarHBondContact O-OG 3.25Å; P619-T637 VanDerWaalsContact CD-OG1 3.26Å; P619-T637 WeakPolarHBondContact CD-OG1 3.28Å; P619-T637 PolarHBondContact O-N 2.97Å; P619-T637 PolarHBondContact O-OG1 2.97Å | ||
| 620 | V | 95 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 120.5 | 176 | 175.4 | 0 | 0 | 0 | 0 | 108 | S579 A593 V599 H616 A618 S622 T634 G635 | S579-V620 VanDerWaalsContact CB-O 3.26Å; S579-V620 WeakPolarHBondContact CB-O 3.29Å; S579-V620 PolarHBondContact OG-O 2.86Å; A593-V620 HydrophobicContact CB-CB 3.99Å; A593-V620 HydrophobicContact CB-CG1 3.87Å; V599-V620 HydrophobicContact CG2-CB 4.31Å; V599-V620 HydrophobicContact CG2-CG1 4.28Å; V599-V620 HydrophobicContact CG2-CG2 3.82Å; H616-V620 HydrophobicContact CB-CG2 4.34Å; H616-V620 VanDerWaalsContact CD2-CG2 3.48Å; H616-V620 WeakPolarHBondContact CD2-CG2 3.17Å; A618-V620 PolarHBondContact O-N 3.01Å; V620-S622 VanDerWaalsContact CG1-O 3.3Å; V620-S622 WeakPolarHBondContact CG1-O 3.14Å; V620-T634 HydrophobicContact CG1-CG2 4.36Å; V620-G635 CarbonylContact C-O 3.56Å; V620-G635 WeakPolarHBondContact CA-O 3.46Å; V620-G635 WeakPolarHBondContact CG1-O 3.26Å |
| 621 | T | 93.5 | Very high | 92.7 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 29% | 0.288 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -34.4 | -177.5 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | P619 G635 T637 I662 T663 | P619-T621 PolarHBondContact O-N 2.83Å; T621-G635 PolarHBondContact N-O 3.48Å; T621-G635 PolarHBondContact OG1-O 2.85Å; T621-G635 VanDerWaalsContact OG1-O 3.12Å; T621-T637 HydrophobicContact CG2-CG2 3.43Å; T621-T637 VanDerWaalsContact CG2-CG2 3.43Å; T621-I662 WeakPolarHBondContact CB-O 2.93Å; T621-I662 WeakPolarHBondContact CG2-O 2.91Å; T621-I662 PolarHBondContact OG1-O 2.85Å; T621-T663 PolarHBondContact OG1-O 3.43Å |
| 622 | S | 93.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 155.3 | -173.3 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | V620 G635 T663 C664 V665 | V620-S622 VanDerWaalsContact CG1-O 3.3Å; V620-S622 WeakPolarHBondContact CG1-O 3.14Å; S622-G635 PolarHBondContact N-O 3.19Å; S622-G635 PolarHBondContact O-N 2.98Å; S622-T663 PolarHBondContact OG-O 3Å; S622-C664 VanDerWaalsContact OG-C 3.29Å; S622-C664 WeakPolarHBondContact OG-CA 3.16Å; S622-V665 PolarHBondContact OG-N 3.29Å; S622-V665 VanDerWaalsContact OG-N 3.1Å |
| 623 | L | 94.8 | Very high | 93 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 139.4 | -170.2 | 175.7 | 86.4 | 0 | 0 | 0 | 108.4 | C580 A582 V591 V599 I632 I633 T634 | C580-L623 WeakPolarHBondContact SG-CB 3.35Å; A582-L623 HydrophobicContact CB-CD2 3.63Å; A582-L623 HydrophobicContact CB-CG 4.16Å; V591-L623 HydrophobicContact CB-CD2 3.72Å; V591-L623 HydrophobicContact CG1-CD1 3.89Å; V591-L623 HydrophobicContact CG1-CD2 3.48Å; V591-L623 VanDerWaalsContact CG1-CD2 3.48Å; V591-L623 HydrophobicContact CG1-CG 4.27Å; V599-L623 HydrophobicContact CG1-CD1 3.94Å; L623-I632 HydrophobicContact CD1-CG2 3.33Å; L623-I632 HydrophobicContact CG-CG2 4.36Å; L623-I633 WeakPolarHBondContact CA-O 3.47Å; L623-T634 HydrophobicContact CD1-CG2 3.47Å; L623-T634 VanDerWaalsContact CD1-CG2 3.47Å |
| 624 | D | 95.1 | Very high | 93.1 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 157.7 | 168.6 | -159.1 | 19.7 | 0 | 0 | 0 | 111.9 | I632 I633 R666 F667 | D624-I632 WeakPolarHBondContact O-CA 3.35Å; D624-I633 HydrophobicContact CB-CG2 3.92Å; D624-I633 PolarHBondContact N-O 2.96Å; D624-I633 PolarHBondContact O-N 3.47Å; D624-R666 IonicContact OD1-CZ 4Å; D624-R666 IonicContact OD1-NE 3.65Å; D624-R666 IonicContact OD1-NH1 3.21Å; D624-R666 PolarHBondContact OD1-NH1 2.71Å; D624-R666 IonicContact OD1-NH2 3.68Å; D624-R666 PolarHBondContact OD1-NH2 2.8Å; D624-R666 WeakPolarHBondContact OD2-CA 3.43Å; D624-R666 WeakPolarHBondContact OD2-CD 3.48Å; D624-R666 WeakPolarHBondContact OD2-CG 3.46Å; D624-R666 IonicContact OD2-CZ 3.94Å; D624-R666 IonicContact OD2-NE 2.86Å; D624-R666 PolarHBondContact OD2-NE 3.39Å; D624-R666 IonicContact OD2-NH1 3.89Å; D624-F667 HydrophobicContact CB-CD2 4.06Å; D624-F667 WeakPolarHBondContact O-CE2 3.23Å; D624-F667 PolarHBondContact OD2-N 2.94Å |
| 625 | I | 94.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.2 | -179 | -58.9 | 170.2 | 0 | 0 | 0 | 108.3 | A582 V591 I632 | A582-I625 HydrophobicContact CB-CD1 3.99Å; A582-I625 HydrophobicContact CB-CG1 4.15Å; V591-I625 HydrophobicContact CB-CD1 4.2Å; V591-I625 HydrophobicContact CG2-CD1 3.65Å; V591-I625 HydrophobicContact CG2-CG1 4.32Å; I625-I632 HydrophobicContact CG1-CG1 4.34Å |
| 626 | S | 92.7 | Very high | 93.5 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | trans | -64.2 | 154.6 | -179.8 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | D628 S629 R630 L631 F667 | S626-D628 WeakPolarHBondContact CB-OD1 3.5Å; S626-D628 PolarHBondContact O-N 3.38Å; S626-D628 VanDerWaalsContact O-N 3.15Å; S626-D628 PolarHBondContact OG-OD1 3.23Å; S626-S629 PolarHBondContact O-N 2.93Å; S626-R630 PolarHBondContact OG-N 3.29Å; S626-L631 PolarHBondContact N-O 2.97Å; S626-L631 PolarHBondContact OG-N 2.94Å; S626-L631 PolarHBondContact OG-O 2.82Å; S626-F667 VanDerWaalsContact N-CD2 3.3Å; S626-F667 VanDerWaalsContact N-CE2 3.32Å | ||
| 627 | S | 88 | Confident | 93.6 | Very high | 47 Ų | 47 | 28.3 Ų | 28.3 | 33% | 0.329 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.3 | -177.5 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | S629 H670 | S627-S629 VanDerWaalsContact C-N 3.35Å; S627-H670 PolarHBondContact OG-N 3.42Å; S627-H670 VanDerWaalsContact OG-N 3.09Å |
| 628 | D | 88.3 | Confident | 93.6 | Very high | 81 Ų | 81 | 25.2 Ų | 25.2 | 43% | 0.433 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 1.4 | 175.5 | 67.2 | -13.3 | 0 | 0 | 0 | 113.5 | S626 R630 | S626-D628 WeakPolarHBondContact CB-OD1 3.5Å; S626-D628 PolarHBondContact O-N 3.38Å; S626-D628 VanDerWaalsContact O-N 3.15Å; S626-D628 PolarHBondContact OG-OD1 3.23Å; D628-R630 HydrophobicContact CB-CG 4.37Å; D628-R630 PolarHBondContact O-N 3.17Å; D628-R630 PolarHBondContact OD1-N 3.35Å; D628-R630 VanDerWaalsContact OD2-CD 3.31Å; D628-R630 WeakPolarHBondContact OD2-CD 3.37Å; D628-R630 WeakPolarHBondContact OD2-CG 3.47Å; D628-R630 IonicContact OD2-NE 3.83Å |
| 629 | S | 90.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 54.3 | 31.5 | -175.8 | -60 | 0 | 0 | 0 | 0 | 113.9 | P585 N586 S626 S627 L646 | P585-S629 WeakPolarHBondContact CD-OG 3.16Å; N586-S629 VanDerWaalsContact CG-OG 3.26Å; N586-S629 PolarHBondContact OD1-OG 3.24Å; N586-S629 VanDerWaalsContact OD1-OG 3.13Å; S626-S629 PolarHBondContact O-N 2.93Å; S627-S629 VanDerWaalsContact C-N 3.35Å; S629-L646 WeakPolarHBondContact O-CD2 3.4Å |
| 630 | R | 91.9 | Very high | 93.7 | Very high | 151 Ų | 151 | 28 Ų | 28 | 57% | 0.57 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -103 | -30.9 | 177.9 | -66.3 | -173 | -178.3 | 167.8 | -2.8 | 113.6 | S626 D628 L646 | S626-R630 PolarHBondContact OG-N 3.29Å; D628-R630 HydrophobicContact CB-CG 4.37Å; D628-R630 PolarHBondContact O-N 3.17Å; D628-R630 PolarHBondContact OD1-N 3.35Å; D628-R630 VanDerWaalsContact OD2-CD 3.31Å; D628-R630 WeakPolarHBondContact OD2-CD 3.37Å; D628-R630 WeakPolarHBondContact OD2-CG 3.47Å; D628-R630 IonicContact OD2-NE 3.83Å; R630-L646 VanDerWaalsContact O-CB 3.26Å; R630-L646 WeakPolarHBondContact O-CB 2.97Å; R630-L646 PolarHBondContact O-N 2.83Å |
| 631 | L | 93.7 | Very high | 93.7 | Very high | 28 Ų | 28 | 28 Ų | 28 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 145.8 | -172 | -56.8 | 174.9 | 0 | 0 | 0 | 110.5 | S626 L643 W644 F667 I688 | S626-L631 PolarHBondContact N-O 2.97Å; S626-L631 PolarHBondContact OG-N 2.94Å; S626-L631 PolarHBondContact OG-O 2.82Å; L631-L643 HydrophobicContact CB-CD1 4.19Å; L631-L643 HydrophobicContact CD1-CD1 4.46Å; L631-W644 CarbonylContact C-O 3.56Å; L631-W644 VanDerWaalsContact CA-O 3.3Å; L631-W644 WeakPolarHBondContact CA-O 3.39Å; L631-F667 HydrophobicContact CB-CZ 4.25Å; L631-I688 HydrophobicContact CD1-CG2 3.64Å |
| 632 | I | 95.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.3 | 168.3 | -63.6 | 163.6 | 0 | 0 | 0 | 107.3 | V591 V601 L613 L623 D624 I625 T634 L643 W644 L646 | V591-I632 HydrophobicContact CG1-CD1 4.19Å; V591-I632 HydrophobicContact CG2-CD1 3.99Å; V601-I632 HydrophobicContact CG2-CD1 3.97Å; L613-I632 HydrophobicContact CD1-CD1 3.98Å; L623-I632 HydrophobicContact CD1-CG2 3.33Å; L623-I632 HydrophobicContact CG-CG2 4.36Å; D624-I632 WeakPolarHBondContact O-CA 3.35Å; I625-I632 HydrophobicContact CG1-CG1 4.34Å; I632-T634 HydrophobicContact CG2-CG2 3.99Å; I632-L643 CarbonylContact O-C 3.5Å; I632-L643 WeakPolarHBondContact O-CA 3.46Å; I632-W644 HydrophobicContact CB-CB 4.17Å; I632-W644 PolarHBondContact N-O 2.85Å; I632-W644 PolarHBondContact O-N 3.17Å; I632-L646 HydrophobicContact CD1-CD1 3.3Å; I632-L646 HydrophobicContact CG1-CD1 3.83Å |
| 633 | I | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 139.3 | 166.4 | -157.8 | 170.1 | 0 | 0 | 0 | 109.9 | L623 D624 V641 R642 L643 V665 F667 A674 | L623-I633 WeakPolarHBondContact CA-O 3.47Å; D624-I633 HydrophobicContact CB-CG2 3.92Å; D624-I633 PolarHBondContact N-O 2.96Å; D624-I633 PolarHBondContact O-N 3.47Å; I633-V641 HydrophobicContact CD1-CG1 3.66Å; I633-V641 HydrophobicContact CG1-CG1 3.49Å; I633-V641 VanDerWaalsContact CG1-CG1 3.49Å; I633-R642 WeakPolarHBondContact CA-O 3.32Å; I633-L643 HydrophobicContact CB-CD1 4.42Å; I633-V665 HydrophobicContact CB-CG1 4.11Å; I633-V665 HydrophobicContact CD1-CG1 3.51Å; I633-V665 HydrophobicContact CG1-CG1 3.67Å; I633-V665 HydrophobicContact CG2-CB 4.3Å; I633-V665 HydrophobicContact CG2-CG1 3.44Å; I633-V665 VanDerWaalsContact CG2-CG1 3.44Å; I633-F667 HydrophobicContact CB-CE1 4.01Å; I633-F667 HydrophobicContact CB-CE2 3.79Å; I633-F667 HydrophobicContact CB-CZ 3.46Å; I633-F667 VanDerWaalsContact CB-CZ 3.46Å; I633-F667 HydrophobicContact CD1-CE1 4.25Å; I633-F667 HydrophobicContact CG2-CD2 3.91Å; I633-F667 HydrophobicContact CG2-CE1 4.09Å; I633-F667 HydrophobicContact CG2-CE2 3.51Å; I633-F667 HydrophobicContact CG2-CG 4.44Å; I633-F667 HydrophobicContact CG2-CZ 3.64Å; I633-A674 HydrophobicContact CD1-CB 3.64Å |
| 634 | T | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130.1 | -175.3 | 46 | 0 | 0 | 0 | 0 | 109.3 | V599 H616 V620 L623 I632 V641 R642 W644 | V599-T634 HydrophobicContact CG2-CG2 3.98Å; H616-T634 PolarHBondContact NE2-OG1 3.03Å; H616-T634 VanDerWaalsContact NE2-OG1 3.08Å; V620-T634 HydrophobicContact CG1-CG2 4.36Å; L623-T634 HydrophobicContact CD1-CG2 3.47Å; L623-T634 VanDerWaalsContact CD1-CG2 3.47Å; I632-T634 HydrophobicContact CG2-CG2 3.99Å; T634-V641 CarbonylContact O-C 3.53Å; T634-V641 VanDerWaalsContact O-CA 3.28Å; T634-V641 WeakPolarHBondContact O-CA 3.4Å; T634-V641 WeakPolarHBondContact O-CG1 3.25Å; T634-R642 PolarHBondContact N-O 3.19Å; T634-R642 PolarHBondContact O-N 3.2Å; T634-R642 WeakPolarHBondContact OG1-CB 3.47Å; T634-R642 PolarHBondContact OG1-O 3.39Å; T634-W644 PolarHBondContact OG1-NE1 3.34Å |
| 635 | G | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V620 T621 S622 | V620-G635 CarbonylContact C-O 3.56Å; V620-G635 WeakPolarHBondContact CA-O 3.46Å; V620-G635 WeakPolarHBondContact CG1-O 3.26Å; T621-G635 PolarHBondContact N-O 3.48Å; T621-G635 PolarHBondContact OG1-O 2.85Å; T621-G635 VanDerWaalsContact OG1-O 3.12Å; S622-G635 PolarHBondContact N-O 3.19Å; S622-G635 PolarHBondContact O-N 2.98Å |
| 636 | S | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 160.3 | -179.4 | 172 | 0 | 0 | 0 | 0 | 112.4 | H616 A618 P619 D638 K639 T640 I662 | H616-S636 VanDerWaalsContact ND1-CB 3.28Å; H616-S636 WeakPolarHBondContact ND1-CB 3.41Å; A618-S636 PolarHBondContact O-OG 3.39Å; P619-S636 PolarHBondContact O-OG 3.25Å; S636-D638 VanDerWaalsContact CB-OD1 3.25Å; S636-D638 WeakPolarHBondContact CB-OD1 3.24Å; S636-D638 PolarHBondContact O-N 2.7Å; S636-D638 VanDerWaalsContact OG-CG 3.31Å; S636-D638 PolarHBondContact OG-N 2.7Å; S636-D638 PolarHBondContact OG-OD1 2.88Å; S636-K639 PolarHBondContact O-N 2.9Å; S636-T640 PolarHBondContact N-O 3.35Å; S636-I662 PolarHBondContact O-N 2.87Å |
| 637 | T | 95.2 | Very high | 93.4 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 25% | 0.252 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -10.2 | 169.3 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | A618 P619 T621 K639 | A618-T637 WeakPolarHBondContact CB-OG1 3.05Å; P619-T637 VanDerWaalsContact CD-OG1 3.26Å; P619-T637 WeakPolarHBondContact CD-OG1 3.28Å; P619-T637 PolarHBondContact O-N 2.97Å; P619-T637 PolarHBondContact O-OG1 2.97Å; T621-T637 HydrophobicContact CG2-CG2 3.43Å; T621-T637 VanDerWaalsContact CG2-CG2 3.43Å; T637-K639 PolarHBondContact O-N 2.83Å; T637-K639 VanDerWaalsContact O-N 3.14Å |
| 638 | D | 94.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 37.7 Ų | 37.7 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 5 | 170.9 | 69.4 | 11.9 | 0 | 0 | 0 | 114 | H616 S617 A618 S636 T640 R642 | H616-D638 IonicContact CG-OD2 2.73Å; H616-D638 IonicContact ND1-OD1 3.1Å; H616-D638 IonicContact ND1-OD2 3.71Å; H616-D638 PolarHBondContact ND1-OD2 2.95Å; S617-D638 PolarHBondContact N-OD2 2.91Å; S617-D638 WeakPolarHBondContact OG-CB 3.47Å; A618-D638 HydrophobicContact CB-CB 3.87Å; S636-D638 VanDerWaalsContact CB-OD1 3.25Å; S636-D638 WeakPolarHBondContact CB-OD1 3.24Å; S636-D638 PolarHBondContact O-N 2.7Å; S636-D638 VanDerWaalsContact OG-CG 3.31Å; S636-D638 PolarHBondContact OG-N 2.7Å; S636-D638 PolarHBondContact OG-OD1 2.88Å; D638-T640 PolarHBondContact O-N 3.36Å; D638-T640 WeakPolarHBondContact OD1-CA 3.06Å; D638-T640 VanDerWaalsContact OD1-CB 3.31Å; D638-T640 WeakPolarHBondContact OD1-CB 3.41Å; D638-T640 PolarHBondContact OD1-N 2.95Å; D638-T640 PolarHBondContact OD1-OG1 3.43Å; D638-T640 PolarHBondContact OD2-OG1 3.25Å; D638-R642 IonicContact OD2-NH2 2.73Å |
| 639 | K | 94.6 | Very high | 93.4 | Very high | 91 Ų | 91 | 34.5 Ų | 34.5 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 68.3 | 10.8 | -178.8 | -44.5 | 174.5 | 173.8 | -161.1 | 0 | 113.4 | S636 T637 S659 I662 | S636-K639 PolarHBondContact O-N 2.9Å; T637-K639 PolarHBondContact O-N 2.83Å; T637-K639 VanDerWaalsContact O-N 3.14Å; K639-S659 VanDerWaalsContact CD-O 3.28Å; K639-S659 WeakPolarHBondContact CD-O 3.49Å; K639-S659 VanDerWaalsContact CE-O 3.27Å; K639-S659 WeakPolarHBondContact CE-O 3.45Å; K639-S659 PolarHBondContact NZ-O 3.07Å; K639-I662 VanDerWaalsContact C-CD1 3.46Å |
| 640 | T | 95 | Very high | 93.5 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | trans | -110 | 138.3 | 179 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | S636 D638 R654 F655 T656 I662 | S636-T640 PolarHBondContact N-O 3.35Å; D638-T640 PolarHBondContact O-N 3.36Å; D638-T640 WeakPolarHBondContact OD1-CA 3.06Å; D638-T640 VanDerWaalsContact OD1-CB 3.31Å; D638-T640 WeakPolarHBondContact OD1-CB 3.41Å; D638-T640 PolarHBondContact OD1-N 2.95Å; D638-T640 PolarHBondContact OD1-OG1 3.43Å; D638-T640 PolarHBondContact OD2-OG1 3.25Å; T640-R654 HydrophobicContact CG2-CG 4.34Å; T640-F655 WeakPolarHBondContact CA-O 3.5Å; T640-T656 HydrophobicContact CG2-CG2 4.09Å; T640-I662 WeakPolarHBondContact O-CD1 3.49Å | ||
| 641 | V | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.2 | 166.1 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | I633 T634 F655 I662 V665 | I633-V641 HydrophobicContact CD1-CG1 3.66Å; I633-V641 HydrophobicContact CG1-CG1 3.49Å; I633-V641 VanDerWaalsContact CG1-CG1 3.49Å; T634-V641 CarbonylContact O-C 3.53Å; T634-V641 VanDerWaalsContact O-CA 3.28Å; T634-V641 WeakPolarHBondContact O-CA 3.4Å; T634-V641 WeakPolarHBondContact O-CG1 3.25Å; V641-F655 HydrophobicContact CB-CB 4.15Å; V641-F655 HydrophobicContact CB-CD2 4.08Å; V641-F655 HydrophobicContact CG1-CD2 4.14Å; V641-F655 PolarHBondContact N-O 2.92Å; V641-F655 VanDerWaalsContact N-O 3.09Å; V641-F655 PolarHBondContact O-N 2.8Å; V641-I662 HydrophobicContact CB-CD1 4.36Å; V641-I662 HydrophobicContact CG2-CD1 3.4Å; V641-I662 VanDerWaalsContact CG2-CD1 3.4Å; V641-I662 HydrophobicContact CG2-CG1 4.11Å; V641-V665 HydrophobicContact CG1-CG1 4.31Å; V641-V665 HydrophobicContact CG1-CG2 4.43Å; V641-V665 HydrophobicContact CG2-CG2 4.39Å |
| 642 | R | 94.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 36 Ų | 36 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.9 | 175.6 | -63.9 | -177.8 | -169.2 | -163 | 3.6 | 111.2 | G615 H616 I633 T634 D638 W644 R653 R654 | G615-R642 VanDerWaalsContact CA-NH1 3.26Å; G615-R642 PolarHBondContact O-NH1 3.42Å; G615-R642 PolarHBondContact O-NH2 3.16Å; H616-R642 VanDerWaalsContact CE1-CD 3.48Å; H616-R642 WeakPolarHBondContact CE1-CD 3.42Å; I633-R642 WeakPolarHBondContact CA-O 3.32Å; T634-R642 PolarHBondContact N-O 3.19Å; T634-R642 PolarHBondContact O-N 3.2Å; T634-R642 WeakPolarHBondContact OG1-CB 3.47Å; T634-R642 PolarHBondContact OG1-O 3.39Å; D638-R642 IonicContact OD2-NH2 2.73Å; R642-W644 HydrophobicContact CB-CZ2 4.07Å; R642-R653 WeakPolarHBondContact CA-O 3.49Å; R642-R654 HydrophobicContact CG-CB 4.35Å; R642-R654 HydrophobicContact CG-CG 4.13Å |
| 643 | L | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.2 | 172.3 | -172.9 | 77.6 | 0 | 0 | 0 | 109.1 | L631 I632 I633 C651 Q652 R653 F655 F667 I688 F691 | L631-L643 HydrophobicContact CB-CD1 4.19Å; L631-L643 HydrophobicContact CD1-CD1 4.46Å; I632-L643 CarbonylContact O-C 3.5Å; I632-L643 WeakPolarHBondContact O-CA 3.46Å; I633-L643 HydrophobicContact CB-CD1 4.42Å; L643-C651 CarbonylContact O-C 3.56Å; L643-Q652 HydrophobicContact CD2-CB 4.07Å; L643-Q652 HydrophobicContact CG-CB 4.48Å; L643-Q652 PolarHBondContact O-N 2.73Å; L643-R653 PolarHBondContact N-O 3.44Å; L643-F655 HydrophobicContact CB-CE2 4.3Å; L643-F667 HydrophobicContact CD1-CE1 4.27Å; L643-F667 HydrophobicContact CD1-CZ 3.94Å; L643-I688 HydrophobicContact CD1-CG2 3.83Å; L643-I688 HydrophobicContact CD2-CG2 3.48Å; L643-I688 VanDerWaalsContact CD2-CG2 3.48Å; L643-I688 HydrophobicContact CG-CG2 4.31Å; L643-F691 HydrophobicContact CD2-CD1 4.23Å; L643-F691 HydrophobicContact CD2-CE1 3.63Å |
| 644 | W | 94.8 | Very high | 93.2 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.9 | -179.7 | -51.2 | 86.1 | 0 | 0 | 0 | 110.6 | L613 Y614 L631 I632 T634 R642 N650 C651 | L613-W644 HydrophobicContact CB-CD2 4.19Å; L613-W644 HydrophobicContact CB-CE3 4.05Å; L613-W644 HydrophobicContact CB-CH2 4.28Å; L613-W644 HydrophobicContact CB-CZ2 4.36Å; L613-W644 HydrophobicContact CB-CZ3 4.08Å; L613-W644 HydrophobicContact CD1-CB 4.08Å; L613-W644 HydrophobicContact CD1-CD2 3.9Å; L613-W644 HydrophobicContact CD1-CE3 4.27Å; L613-W644 HydrophobicContact CD1-CG 3.79Å; L613-W644 HydrophobicContact CD2-CD2 4.35Å; L613-W644 HydrophobicContact CD2-CE3 3.87Å; L613-W644 HydrophobicContact CD2-CZ3 4.41Å; L613-W644 HydrophobicContact CG-CD2 4.37Å; L613-W644 HydrophobicContact CG-CE3 4.28Å; Y614-W644 WeakPolarHBondContact O-CH2 3.39Å; L631-W644 CarbonylContact C-O 3.56Å; L631-W644 VanDerWaalsContact CA-O 3.3Å; L631-W644 WeakPolarHBondContact CA-O 3.39Å; I632-W644 HydrophobicContact CB-CB 4.17Å; I632-W644 PolarHBondContact N-O 2.85Å; I632-W644 PolarHBondContact O-N 3.17Å; T634-W644 PolarHBondContact OG1-NE1 3.34Å; R642-W644 HydrophobicContact CB-CZ2 4.07Å; W644-N650 CarbonylContact C-O 3.52Å; W644-N650 VanDerWaalsContact CA-O 3.31Å; W644-N650 WeakPolarHBondContact CA-O 3.33Å; W644-C651 HydrophobicContact CD2-CB 4.29Å; W644-C651 HydrophobicContact CE3-CB 3.68Å; W644-C651 HydrophobicContact CH2-CB 3.84Å; W644-C651 HydrophobicContact CZ2-CB 4.47Å; W644-C651 HydrophobicContact CZ3-CB 3.45Å; W644-C651 VanDerWaalsContact CZ3-CB 3.45Å |
| 645 | E | 94.2 | Very high | 93.1 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.4 | 169.5 | -169.9 | 171.7 | 173.6 | 0 | 0 | 110.4 | G649 N650 Q652 | E645-G649 WeakPolarHBondContact O-CA 3.4Å; E645-G649 PolarHBondContact O-N 3.19Å; E645-N650 PolarHBondContact N-O 3.41Å; E645-Q652 HydrophobicContact CB-CG 4.14Å; E645-Q652 PolarHBondContact OE2-NE2 2.72Å; E645-Q652 VanDerWaalsContact OE2-NE2 3.14Å |
| 646 | L | 89.7 | Confident | 92.9 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -28.1 | -171.9 | -167.4 | 66.5 | 0 | 0 | 0 | 113.2 | L589 V601 H611 S629 R630 I632 | L589-L646 HydrophobicContact CD1-CD1 4.06Å; L589-L646 HydrophobicContact CD1-CD2 3.16Å; L589-L646 HydrophobicContact CD1-CG 3.63Å; V601-L646 HydrophobicContact CG1-CD1 3.88Å; V601-L646 HydrophobicContact CG2-CD1 4.2Å; H611-L646 PolarHBondContact CD2-O 3.08Å; H611-L646 PolarHBondContact NE2-O 2.64Å; S629-L646 WeakPolarHBondContact O-CD2 3.4Å; R630-L646 VanDerWaalsContact O-CB 3.26Å; R630-L646 WeakPolarHBondContact O-CB 2.97Å; R630-L646 PolarHBondContact O-N 2.83Å; I632-L646 HydrophobicContact CD1-CD1 3.3Å; I632-L646 HydrophobicContact CG1-CD1 3.83Å |
| 647 | Q | 89 | Confident | 92.3 | Very high | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -50.4 | -178.5 | -66 | -171.1 | -0.7 | 0 | 0 | 111.2 | H611 | H611-Q647 PolarHBondContact NE2-O 3.37Š|
| 648 | F | 87.9 | Confident | 92.1 | Very high | 128 Ų | 128 | 54.5 Ų | 54.5 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -15.2 | -175 | -57.7 | -69.5 | 0 | 0 | 0 | 114 | H611 N650 | H611-F648 PolarHBondContact CE1-O 2.68Å; F648-N650 VanDerWaalsContact C-N 3.33Å |
| 649 | G | 88.8 | Confident | 91.9 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | trans | 76.9 | 18.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L613 E645 | L613-G649 WeakPolarHBondContact CD2-O 3.38Å; E645-G649 WeakPolarHBondContact O-CA 3.4Å; E645-G649 PolarHBondContact O-N 3.19Å | ||
| 650 | N | 93.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 56.1 Ų | 56.1 | 49% | 0.492 | 28% | 0.279 | S | S | . | . | trans | -79.8 | 139.2 | -178.1 | -67.5 | -20 | 0 | 0 | 0 | 111.2 | W644 E645 F648 Q652 | W644-N650 CarbonylContact C-O 3.52Å; W644-N650 VanDerWaalsContact CA-O 3.31Å; W644-N650 WeakPolarHBondContact CA-O 3.33Å; E645-N650 PolarHBondContact N-O 3.41Å; F648-N650 VanDerWaalsContact C-N 3.33Å; N650-Q652 PolarHBondContact O-N 3.39Å | ||
| 651 | C | 92.2 | Very high | 91.9 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 114.3 | 168.2 | -169.6 | 0 | 0 | 0 | 0 | 109 | L643 W644 | L643-C651 CarbonylContact O-C 3.56Å; W644-C651 HydrophobicContact CD2-CB 4.29Å; W644-C651 HydrophobicContact CE3-CB 3.68Å; W644-C651 HydrophobicContact CH2-CB 3.84Å; W644-C651 HydrophobicContact CZ2-CB 4.47Å; W644-C651 HydrophobicContact CZ3-CB 3.45Å; W644-C651 VanDerWaalsContact CZ3-CB 3.45Å |
| 652 | Q | 91.8 | Very high | 91.9 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -46.7 | 177.4 | -69.4 | -169.8 | -12.2 | 0 | 0 | 111.2 | L643 E645 N650 F691 | L643-Q652 HydrophobicContact CD2-CB 4.07Å; L643-Q652 HydrophobicContact CG-CB 4.48Å; L643-Q652 PolarHBondContact O-N 2.73Å; E645-Q652 HydrophobicContact CB-CG 4.14Å; E645-Q652 PolarHBondContact OE2-NE2 2.72Å; E645-Q652 VanDerWaalsContact OE2-NE2 3.14Å; N650-Q652 PolarHBondContact O-N 3.39Å; Q652-F691 HydrophobicContact CB-CE1 4.41Å |
| 653 | R | 92.8 | Very high | 91.9 | Very high | 134 Ų | 134 | 56 Ų | 56 | 51% | 0.506 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 146.3 | -177.4 | -164.3 | 68.5 | 179.6 | 163.6 | -0.1 | 112.3 | R642 L643 F655 F691 | R642-R653 WeakPolarHBondContact CA-O 3.49Å; L643-R653 PolarHBondContact N-O 3.44Å; R653-F655 HydrophobicContact CB-CE2 4.49Å; R653-F655 HydrophobicContact CB-CZ 4.23Å; R653-F655 HydrophobicContact CG-CD1 4.26Å; R653-F655 HydrophobicContact CG-CE1 3.87Å; R653-F655 HydrophobicContact CG-CZ 4.05Å; R653-F691 HydrophobicContact CB-CD1 3.76Å; R653-F691 HydrophobicContact CB-CE1 4.19Å; R653-F691 HydrophobicContact CB-CG 4.39Å; R653-F691 HydrophobicContact CG-CB 4.16Å; R653-F691 HydrophobicContact CG-CD1 4.1Å; R653-F691 HydrophobicContact CG-CG 4.3Å |
| 654 | R | 92.9 | Very high | 91.8 | Very high | 144 Ų | 144 | 57 Ų | 57 | 54% | 0.543 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.8 | 167.4 | -176.1 | -178.6 | 76.1 | 176.5 | 3.5 | 109.3 | T640 R642 T656 | T640-R654 HydrophobicContact CG2-CG 4.34Å; R642-R654 HydrophobicContact CG-CB 4.35Å; R642-R654 HydrophobicContact CG-CG 4.13Å; R654-T656 HydrophobicContact CG-CG2 4.19Å |
| 655 | F | 92.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.2 | 175.1 | -55.6 | -73.7 | 0 | 0 | 0 | 110.1 | T640 V641 L643 R653 W686 F691 | T640-F655 WeakPolarHBondContact CA-O 3.5Å; V641-F655 HydrophobicContact CB-CB 4.15Å; V641-F655 HydrophobicContact CB-CD2 4.08Å; V641-F655 HydrophobicContact CG1-CD2 4.14Å; V641-F655 PolarHBondContact N-O 2.92Å; V641-F655 VanDerWaalsContact N-O 3.09Å; V641-F655 PolarHBondContact O-N 2.8Å; L643-F655 HydrophobicContact CB-CE2 4.3Å; R653-F655 HydrophobicContact CB-CE2 4.49Å; R653-F655 HydrophobicContact CB-CZ 4.23Å; R653-F655 HydrophobicContact CG-CD1 4.26Å; R653-F655 HydrophobicContact CG-CE1 3.87Å; R653-F655 HydrophobicContact CG-CZ 4.05Å; F655-W686 HydrophobicContact CB-CH2 3.6Å; F655-W686 HydrophobicContact CB-CZ2 3.98Å; F655-W686 HydrophobicContact CB-CZ3 3.95Å; F655-W686 HydrophobicContact CD1-CD2 4.33Å; F655-W686 AromaticContact CD1-CE3 3.58Å; F655-W686 HydrophobicContact CD1-CE3 3.58Å; F655-W686 AromaticContact CD1-CH2 3.96Å; F655-W686 HydrophobicContact CD1-CH2 3.96Å; F655-W686 AromaticContact CD1-CZ3 3.36Å; F655-W686 HydrophobicContact CD1-CZ3 3.36Å; F655-W686 AromaticContact CE1-CE3 3.81Å; F655-W686 HydrophobicContact CE1-CE3 3.81Å; F655-W686 HydrophobicContact CE1-CZ3 4.02Å; F655-W686 HydrophobicContact CG-CD2 4.39Å; F655-W686 HydrophobicContact CG-CE3 4.04Å; F655-W686 AromaticContact CG-CH2 3.98Å; F655-W686 HydrophobicContact CG-CH2 3.98Å; F655-W686 HydrophobicContact CG-CZ2 4.38Å; F655-W686 AromaticContact CG-CZ3 3.82Å; F655-W686 HydrophobicContact CG-CZ3 3.82Å; F655-W686 HydrophobicContact CZ-CE3 4.44Å; F655-F691 HydrophobicContact CE1-CB 4.25Å; F655-F691 HydrophobicContact CZ-CD1 4.29Å |
| 656 | T | 91.3 | Very high | 91.9 | Very high | 95 Ų | 95 | 59.2 Ų | 59.2 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | trans | -124.6 | 39.6 | -175.5 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | T640 R654 | T640-T656 HydrophobicContact CG2-CG2 4.09Å; R654-T656 HydrophobicContact CG-CG2 4.19Å | ||
| 657 | S | 83.9 | Confident | 92.1 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | trans | -97.6 | -10.2 | -175 | 80.2 | 0 | 0 | 0 | 0 | 114.7 | K684 W686 E693 | S657-K684 WeakPolarHBondContact O-CE 3.47Å; S657-K684 PolarHBondContact O-NZ 3.26Å; S657-K684 WeakPolarHBondContact OG-CD 3.38Å; S657-K684 PolarHBondContact OG-NZ 3.04Å; S657-W686 WeakPolarHBondContact OG-CH2 3.26Å; S657-W686 VanDerWaalsContact OG-CZ2 3.23Å; S657-W686 WeakPolarHBondContact OG-CZ2 3.14Å; S657-E693 WeakPolarHBondContact CB-OE2 3.41Å; S657-E693 PolarHBondContact OG-OE2 2.78Å | ||
| 658 | H | 89.5 | Confident | 92.2 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | trans | -86 | 134 | 176.8 | -73.6 | -74.8 | 0 | 0 | 0 | 110.8 | I662 S676 D678 K684 | H658-I662 HydrophobicContact CB-CG1 4.43Å; H658-S676 PolarHBondContact NE2-OG 2.83Å; H658-D678 IonicContact ND1-OD2 2.85Å; H658-K684 VanDerWaalsContact CE1-CD 3.45Å; H658-K684 WeakPolarHBondContact CE1-CD 3.48Å; H658-K684 VanDerWaalsContact CE1-CG 3.41Å; H658-K684 WeakPolarHBondContact CE1-CG 3.28Å | ||
| 659 | S | 91.2 | Very high | 92.1 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -81.3 | -25.2 | 173.6 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | K639 | K639-S659 VanDerWaalsContact CD-O 3.28Å; K639-S659 WeakPolarHBondContact CD-O 3.49Å; K639-S659 VanDerWaalsContact CE-O 3.27Å; K639-S659 WeakPolarHBondContact CE-O 3.45Å; K639-S659 PolarHBondContact NZ-O 3.07Å |
| 660 | E | 94.2 | Very high | 91.8 | Very high | 81 Ų | 81 | 53.6 Ų | 53.6 | 38% | 0.379 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -112.8 | 160.5 | -176.4 | -72.8 | -58.9 | 140.3 | 0 | 0 | 112.2 | D678 K679 | E660-D678 HydrophobicContact CB-CB 4.14Å; E660-K679 HydrophobicContact CB-CB 4.34Å |
| 661 | P | 94.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | trans | -57.5 | 139.6 | 177.1 | -25.9 | 35.3 | 0 | 0 | 0 | 112.2 | D678 K679 | P661-D678 CarbonylContact O-C 3.57Å; P661-D678 WeakPolarHBondContact O-CA 3.11Å; P661-K679 HydrophobicContact CB-CD 3.87Å; P661-K679 HydrophobicContact CB-CG 4.25Å; P661-K679 HydrophobicContact CG-CD 4.05Å; P661-K679 WeakPolarHBondContact O-CG 3.43Å; P661-K679 PolarHBondContact O-N 3.25Å | ||
| 662 | I | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 134.8 | -179 | -64.5 | 144.6 | 0 | 0 | 0 | 109.9 | T621 S636 K639 T640 V641 H658 V665 S677 | T621-I662 WeakPolarHBondContact CB-O 2.93Å; T621-I662 WeakPolarHBondContact CG2-O 2.91Å; T621-I662 PolarHBondContact OG1-O 2.85Å; S636-I662 PolarHBondContact O-N 2.87Å; K639-I662 VanDerWaalsContact C-CD1 3.46Å; T640-I662 WeakPolarHBondContact O-CD1 3.49Å; V641-I662 HydrophobicContact CB-CD1 4.36Å; V641-I662 HydrophobicContact CG2-CD1 3.4Å; V641-I662 VanDerWaalsContact CG2-CD1 3.4Å; V641-I662 HydrophobicContact CG2-CG1 4.11Å; H658-I662 HydrophobicContact CB-CG1 4.43Å; I662-V665 HydrophobicContact CG2-CG2 3.61Å; I662-S677 CarbonylContact C-O 3.54Å; I662-S677 WeakPolarHBondContact CA-O 3.47Å; I662-S677 WeakPolarHBondContact CG2-O 3.48Å |
| 663 | T | 93.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -45.7 | -179.7 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | T621 S622 S677 K679 V704 | T621-T663 PolarHBondContact OG1-O 3.43Å; S622-T663 PolarHBondContact OG-O 3Å; T663-S677 PolarHBondContact N-O 2.92Å; T663-S677 PolarHBondContact OG1-O 3.44Å; T663-S677 PolarHBondContact OG1-OG 3.44Å; T663-K679 HydrophobicContact CG2-CB 4.4Å; T663-K679 HydrophobicContact CG2-CG 3.44Å; T663-K679 VanDerWaalsContact CG2-CG 3.44Å; T663-V704 WeakPolarHBondContact CB-O 3.06Å; T663-V704 VanDerWaalsContact CG2-O 3.26Å; T663-V704 WeakPolarHBondContact CG2-O 3.26Å; T663-V704 PolarHBondContact OG1-O 2.91Å |
| 664 | C | 94.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 41 Ų | 41 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149.9 | -177.5 | -84.1 | 0 | 0 | 0 | 0 | 111.9 | S622 S676 S677 T705 L707 | S622-C664 VanDerWaalsContact OG-C 3.29Å; S622-C664 WeakPolarHBondContact OG-CA 3.16Å; C664-S676 CarbonylContact O-C 3.57Å; C664-S676 WeakPolarHBondContact O-CA 3.32Å; C664-S677 WeakPolarHBondContact CB-OG 3.28Å; C664-S677 PolarHBondContact N-OG 3.27Å; C664-S677 PolarHBondContact O-N 3.22Å; C664-S677 PolarHBondContact O-OG 3.05Å; C664-T705 PolarHBondContact SG-O 2.67Å; C664-T705 VanDerWaalsContact SG-O 3.37Å; C664-L707 HydrophobicContact CB-CB 4.12Å; C664-L707 HydrophobicContact CB-CD1 4.29Å; C664-L707 HydrophobicContact CB-CG 4.11Å |
| 665 | V | 95.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 139.4 | 173.8 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | S622 I633 V641 I662 V675 | S622-V665 PolarHBondContact OG-N 3.29Å; S622-V665 VanDerWaalsContact OG-N 3.1Å; I633-V665 HydrophobicContact CB-CG1 4.11Å; I633-V665 HydrophobicContact CD1-CG1 3.51Å; I633-V665 HydrophobicContact CG1-CG1 3.67Å; I633-V665 HydrophobicContact CG2-CB 4.3Å; I633-V665 HydrophobicContact CG2-CG1 3.44Å; I633-V665 VanDerWaalsContact CG2-CG1 3.44Å; V641-V665 HydrophobicContact CG1-CG1 4.31Å; V641-V665 HydrophobicContact CG1-CG2 4.43Å; V641-V665 HydrophobicContact CG2-CG2 4.39Å; I662-V665 HydrophobicContact CG2-CG2 3.61Å; V665-V675 CarbonylContact C-O 3.3Å; V665-V675 WeakPolarHBondContact CA-O 3.24Å; V665-V675 WeakPolarHBondContact CG1-O 3.42Å |
| 666 | R | 94.9 | Very high | 91.3 | Very high | 99 Ų | 99 | 33.5 Ų | 33.5 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 141.4 | -178.8 | -150.6 | 73.7 | -170.5 | 160.8 | 7.5 | 111.7 | D624 A674 V675 T709 | D624-R666 IonicContact OD1-CZ 4Å; D624-R666 IonicContact OD1-NE 3.65Å; D624-R666 IonicContact OD1-NH1 3.21Å; D624-R666 PolarHBondContact OD1-NH1 2.71Å; D624-R666 IonicContact OD1-NH2 3.68Å; D624-R666 PolarHBondContact OD1-NH2 2.8Å; D624-R666 WeakPolarHBondContact OD2-CA 3.43Å; D624-R666 WeakPolarHBondContact OD2-CD 3.48Å; D624-R666 WeakPolarHBondContact OD2-CG 3.46Å; D624-R666 IonicContact OD2-CZ 3.94Å; D624-R666 IonicContact OD2-NE 2.86Å; D624-R666 PolarHBondContact OD2-NE 3.39Å; D624-R666 IonicContact OD2-NH1 3.89Å; R666-A674 WeakPolarHBondContact O-CA 3.44Å; R666-V675 PolarHBondContact N-O 3.17Å; R666-V675 PolarHBondContact O-N 3.27Å; R666-T709 HydrophobicContact CB-CG2 3.96Å; R666-T709 HydrophobicContact CG-CG2 3.99Å; R666-T709 WeakPolarHBondContact CG-OG1 3.36Å |
| 667 | F | 93.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 146.1 | 166 | -72.4 | -61.2 | 0 | 0 | 0 | 110.5 | D624 S626 L631 I633 L643 A674 I688 T709 | D624-F667 HydrophobicContact CB-CD2 4.06Å; D624-F667 WeakPolarHBondContact O-CE2 3.23Å; D624-F667 PolarHBondContact OD2-N 2.94Å; S626-F667 VanDerWaalsContact N-CD2 3.3Å; S626-F667 VanDerWaalsContact N-CE2 3.32Å; L631-F667 HydrophobicContact CB-CZ 4.25Å; I633-F667 HydrophobicContact CB-CE1 4.01Å; I633-F667 HydrophobicContact CB-CE2 3.79Å; I633-F667 HydrophobicContact CB-CZ 3.46Å; I633-F667 VanDerWaalsContact CB-CZ 3.46Å; I633-F667 HydrophobicContact CD1-CE1 4.25Å; I633-F667 HydrophobicContact CG2-CD2 3.91Å; I633-F667 HydrophobicContact CG2-CE1 4.09Å; I633-F667 HydrophobicContact CG2-CE2 3.51Å; I633-F667 HydrophobicContact CG2-CG 4.44Å; I633-F667 HydrophobicContact CG2-CZ 3.64Å; L643-F667 HydrophobicContact CD1-CE1 4.27Å; L643-F667 HydrophobicContact CD1-CZ 3.94Å; F667-A674 HydrophobicContact CD1-CB 3.68Å; F667-A674 HydrophobicContact CE1-CB 3.88Å; F667-I688 HydrophobicContact CD1-CD1 3.39Å; F667-I688 HydrophobicContact CD1-CG1 4.43Å; F667-I688 HydrophobicContact CE1-CD1 3.19Å; F667-I688 HydrophobicContact CE1-CG1 3.96Å; F667-I688 HydrophobicContact CZ-CD1 4.36Å; F667-T709 PolarHBondContact O-OG1 2.87Å |
| 668 | I | 90.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 120.9 | 166.6 | -63.2 | 173.8 | 0 | 0 | 0 | 106.7 | T671 L673 V675 T709 I754 | I668-T671 VanDerWaalsContact CB-OG1 3.22Å; I668-T671 WeakPolarHBondContact CB-OG1 2.96Å; I668-T671 HydrophobicContact CG2-CG2 3.83Å; I668-T671 WeakPolarHBondContact CG2-OG1 3.13Å; I668-T671 PolarHBondContact O-N 2.79Å; I668-T671 PolarHBondContact O-OG1 2.98Å; I668-L673 HydrophobicContact CB-CB 4.37Å; I668-L673 HydrophobicContact CD1-CB 3.95Å; I668-L673 PolarHBondContact N-O 3.14Å; I668-V675 HydrophobicContact CD1-CG2 3.95Å; I668-V675 HydrophobicContact CG1-CG2 4.1Å; I668-T709 HydrophobicContact CG1-CG2 3.97Å; I668-I754 HydrophobicContact CD1-CD1 4.4Å; I668-I754 HydrophobicContact CD1-CG1 4.46Å |
| 669 | P | 86.6 | Confident | 92.1 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 24% | 0.24 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 145.9 | -171.1 | 16.6 | -20.2 | 0 | 0 | 0 | 111.2 | T671 I711 | P669-T671 PolarHBondContact O-N 2.79Å; P669-I711 HydrophobicContact CB-CD1 3.86Å; P669-I711 HydrophobicContact CB-CG1 4.4Å; P669-I711 HydrophobicContact CG-CD1 3.81Å; P669-I711 HydrophobicContact CG-CG1 3.89Å; P669-I711 VanDerWaalsContact O-CD1 3.3Å; P669-I711 WeakPolarHBondContact O-CD1 3.27Å; P669-I711 WeakPolarHBondContact O-CG1 3.31Å |
| 670 | H | 82.7 | Confident | 92 | Very high | 109 Ų | 109 | 30.3 Ų | 30.3 | 51% | 0.505 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 1.9 | -178.9 | -55.5 | -45.7 | 0 | 0 | 0 | 116.3 | S627 I711 | S627-H670 PolarHBondContact OG-N 3.42Å; S627-H670 VanDerWaalsContact OG-N 3.09Å; H670-I711 HydrophobicContact CB-CD1 4.02Å; H670-I711 WeakPolarHBondContact CD2-CD1 3.39Å |
| 671 | T | 84.9 | Confident | 91.7 | Very high | 33 Ų | 33 | 26.6 Ų | 26.6 | 20% | 0.202 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -112.4 | 165.8 | 175 | 72.8 | 0 | 0 | 0 | 0 | 110.9 | I668 P669 L673 W750 | I668-T671 VanDerWaalsContact CB-OG1 3.22Å; I668-T671 WeakPolarHBondContact CB-OG1 2.96Å; I668-T671 HydrophobicContact CG2-CG2 3.83Å; I668-T671 WeakPolarHBondContact CG2-OG1 3.13Å; I668-T671 PolarHBondContact O-N 2.79Å; I668-T671 PolarHBondContact O-OG1 2.98Å; P669-T671 PolarHBondContact O-N 2.79Å; T671-L673 PolarHBondContact O-N 3.1Å; T671-L673 PolarHBondContact OG1-N 3.28Å; T671-W750 HydrophobicContact CG2-CB 4.2Å |
| 672 | S | 86.9 | Confident | 91.5 | Very high | 35 Ų | 35 | 28.5 Ų | 28.5 | 25% | 0.245 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -90 | 25.5 | 168.4 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | I688 | S672-I688 VanDerWaalsContact C-CD1 3.44Å; S672-I688 VanDerWaalsContact O-CB 3.3Å; S672-I688 WeakPolarHBondContact O-CB 3.45Å; S672-I688 VanDerWaalsContact O-CD1 3.23Å; S672-I688 WeakPolarHBondContact O-CD1 3.28Å; S672-I688 WeakPolarHBondContact O-CG1 3.41Å; S672-I688 PolarHBondContact O-N 2.86Å |
| 673 | L | 90.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 12% | 0.12 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.8 | -177.3 | -57.6 | 175.6 | 0 | 0 | 0 | 110.8 | Y7 I668 T671 W686 D687 I694 | Y7-L673 HydrophobicContact CE1-CD2 4.46Å; I668-L673 HydrophobicContact CB-CB 4.37Å; I668-L673 HydrophobicContact CD1-CB 3.95Å; I668-L673 PolarHBondContact N-O 3.14Å; T671-L673 PolarHBondContact O-N 3.1Å; T671-L673 PolarHBondContact OG1-N 3.28Å; L673-W686 WeakPolarHBondContact CA-O 3.49Å; L673-D687 HydrophobicContact CD2-CB 4.41Å; L673-I694 HydrophobicContact CD2-CD1 3.49Å; L673-I694 VanDerWaalsContact CD2-CD1 3.49Å |
| 674 | A | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 155.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | I633 R666 F667 Q685 W686 I688 | I633-A674 HydrophobicContact CD1-CB 3.64Å; R666-A674 WeakPolarHBondContact O-CA 3.44Å; F667-A674 HydrophobicContact CD1-CB 3.68Å; F667-A674 HydrophobicContact CE1-CB 3.88Å; A674-Q685 CarbonylContact O-C 3.59Å; A674-Q685 WeakPolarHBondContact O-CA 3.25Å; A674-W686 HydrophobicContact CB-CB 4.28Å; A674-W686 PolarHBondContact N-O 3.1Å; A674-W686 PolarHBondContact O-N 3.47Å; A674-I688 HydrophobicContact CB-CD1 4.09Å; A674-I688 HydrophobicContact CB-CG1 3.96Å |
| 675 | V | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.5 | 179.7 | -175 | 0 | 0 | 0 | 0 | 108.6 | V665 R666 I668 I683 K684 L707 I754 | V665-V675 CarbonylContact C-O 3.3Å; V665-V675 WeakPolarHBondContact CA-O 3.24Å; V665-V675 WeakPolarHBondContact CG1-O 3.42Å; R666-V675 PolarHBondContact N-O 3.17Å; R666-V675 PolarHBondContact O-N 3.27Å; I668-V675 HydrophobicContact CD1-CG2 3.95Å; I668-V675 HydrophobicContact CG1-CG2 4.1Å; V675-I683 HydrophobicContact CG1-CG2 3.24Å; V675-K684 CarbonylContact C-O 3.52Å; V675-K684 WeakPolarHBondContact CA-O 3.32Å; V675-L707 HydrophobicContact CG1-CD1 3.91Å; V675-I754 HydrophobicContact CG1-CD1 4.5Å; V675-I754 HydrophobicContact CG1-CG2 4.36Å; V675-I754 HydrophobicContact CG2-CD1 3.69Å; V675-I754 HydrophobicContact CG2-CG1 4.22Å |
| 676 | S | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.1 | 178 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | H658 C664 I683 K684 W686 | H658-S676 PolarHBondContact NE2-OG 2.83Å; C664-S676 CarbonylContact O-C 3.57Å; C664-S676 WeakPolarHBondContact O-CA 3.32Å; S676-I683 CarbonylContact O-C 3.56Å; S676-I683 VanDerWaalsContact O-CA 3.28Å; S676-I683 WeakPolarHBondContact O-CA 3.48Å; S676-I683 WeakPolarHBondContact O-CG2 3.17Å; S676-K684 PolarHBondContact N-O 2.79Å; S676-K684 PolarHBondContact O-N 2.91Å; S676-K684 PolarHBondContact OG-O 3.28Å; S676-W686 PolarHBondContact OG-NE1 3.46Å |
| 677 | S | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 151.1 | 175.6 | 62 | 0 | 0 | 0 | 0 | 112.3 | I662 T663 C664 Q682 | I662-S677 CarbonylContact C-O 3.54Å; I662-S677 WeakPolarHBondContact CA-O 3.47Å; I662-S677 WeakPolarHBondContact CG2-O 3.48Å; T663-S677 PolarHBondContact N-O 2.92Å; T663-S677 PolarHBondContact OG1-O 3.44Å; T663-S677 PolarHBondContact OG1-OG 3.44Å; C664-S677 WeakPolarHBondContact CB-OG 3.28Å; C664-S677 PolarHBondContact N-OG 3.27Å; C664-S677 PolarHBondContact O-N 3.22Å; C664-S677 PolarHBondContact O-OG 3.05Å; S677-Q682 WeakPolarHBondContact CA-O 3.42Å |
| 678 | D | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 176.1 | 179.3 | 72.5 | 4.2 | 0 | 0 | 0 | 113.2 | H658 E660 P661 G680 G681 Q682 V704 | H658-D678 IonicContact ND1-OD2 2.85Å; E660-D678 HydrophobicContact CB-CB 4.14Å; P661-D678 CarbonylContact O-C 3.57Å; P661-D678 WeakPolarHBondContact O-CA 3.11Å; D678-G680 VanDerWaalsContact CG-N 3.3Å; D678-G680 WeakPolarHBondContact OD1-CA 3.31Å; D678-G680 PolarHBondContact OD1-N 2.75Å; D678-G681 PolarHBondContact OD1-N 3.25Å; D678-Q682 PolarHBondContact N-O 2.86Å; D678-Q682 WeakPolarHBondContact OD1-CA 3.41Å; D678-Q682 PolarHBondContact OD1-N 2.92Å; D678-Q682 VanDerWaalsContact OD1-O 3.08Å; D678-Q682 WeakPolarHBondContact OD2-CB 3.41Å; D678-V704 PolarHBondContact O-N 2.87Å |
| 679 | K | 93.1 | Very high | 90.7 | Very high | 102 Ų | 102 | 30.5 Ų | 30.5 | 44% | 0.443 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.4 | 168.9 | -69.6 | -174.2 | -176.4 | 176.6 | 0 | 113.6 | E660 P661 T663 S703 | E660-K679 HydrophobicContact CB-CB 4.34Å; P661-K679 HydrophobicContact CB-CD 3.87Å; P661-K679 HydrophobicContact CB-CG 4.25Å; P661-K679 HydrophobicContact CG-CD 4.05Å; P661-K679 WeakPolarHBondContact O-CG 3.43Å; P661-K679 PolarHBondContact O-N 3.25Å; T663-K679 HydrophobicContact CG2-CB 4.4Å; T663-K679 HydrophobicContact CG2-CG 3.44Å; T663-K679 VanDerWaalsContact CG2-CG 3.44Å; K679-S703 WeakPolarHBondContact CA-OG 3.43Å; K679-S703 WeakPolarHBondContact O-CA 3.42Å; K679-S703 WeakPolarHBondContact O-CB 3.41Å; K679-S703 PolarHBondContact O-N 2.81Å |
| 680 | G | 89 | Confident | 90.7 | Very high | 42 Ų | 42 | 32.4 Ų | 32.4 | 43% | 0.433 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D678 | D678-G680 VanDerWaalsContact CG-N 3.3Å; D678-G680 WeakPolarHBondContact OD1-CA 3.31Å; D678-G680 PolarHBondContact OD1-N 2.75Å |
| 681 | G | 88.5 | Confident | 90.9 | Very high | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 94.2 | 5.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D678 G702 | D678-G681 PolarHBondContact OD1-N 3.25Å; G681-G702 WeakPolarHBondContact CA-O 3.41Å |
| 682 | Q | 91.4 | Very high | 90.9 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 27% | 0.271 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 141.4 | 176.5 | -51.6 | -172.9 | 0.4 | 0 | 0 | 110.9 | S677 D678 | S677-Q682 WeakPolarHBondContact CA-O 3.42Å; D678-Q682 PolarHBondContact N-O 2.86Å; D678-Q682 WeakPolarHBondContact OD1-CA 3.41Å; D678-Q682 PolarHBondContact OD1-N 2.92Å; D678-Q682 VanDerWaalsContact OD1-O 3.08Å; D678-Q682 WeakPolarHBondContact OD2-CB 3.41Å |
| 683 | I | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.6 | 171.8 | -54.7 | 164.2 | 0 | 0 | 0 | 106.8 | V675 S676 T696 F697 V704 L707 | V675-I683 HydrophobicContact CG1-CG2 3.24Å; S676-I683 CarbonylContact O-C 3.56Å; S676-I683 VanDerWaalsContact O-CA 3.28Å; S676-I683 WeakPolarHBondContact O-CA 3.48Å; S676-I683 WeakPolarHBondContact O-CG2 3.17Å; I683-T696 CarbonylContact O-C 3.54Å; I683-T696 WeakPolarHBondContact O-CA 3.5Å; I683-F697 HydrophobicContact CB-CB 4.11Å; I683-F697 HydrophobicContact CB-CD2 3.87Å; I683-F697 HydrophobicContact CB-CG 4.48Å; I683-F697 HydrophobicContact CG2-CD2 3.68Å; I683-F697 HydrophobicContact CG2-CE2 4.33Å; I683-F697 PolarHBondContact N-O 2.83Å; I683-F697 VanDerWaalsContact N-O 3.12Å; I683-F697 PolarHBondContact O-N 3.45Å; I683-V704 HydrophobicContact CD1-CG2 4.46Å; I683-V704 HydrophobicContact CG1-CG2 4.05Å; I683-L707 HydrophobicContact CD1-CD2 3.96Å; I683-L707 HydrophobicContact CG1-CD2 4.3Å; I683-L707 HydrophobicContact CG2-CD1 4.27Å; I683-L707 HydrophobicContact CG2-CD2 4.26Å |
| 684 | K | 92.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.1 | -178.7 | -62.9 | -171.3 | 166.5 | -143.5 | 0 | 110.9 | S657 H658 V675 S676 W686 E693 T695 T696 | S657-K684 WeakPolarHBondContact O-CE 3.47Å; S657-K684 PolarHBondContact O-NZ 3.26Å; S657-K684 WeakPolarHBondContact OG-CD 3.38Å; S657-K684 PolarHBondContact OG-NZ 3.04Å; H658-K684 VanDerWaalsContact CE1-CD 3.45Å; H658-K684 WeakPolarHBondContact CE1-CD 3.48Å; H658-K684 VanDerWaalsContact CE1-CG 3.41Å; H658-K684 WeakPolarHBondContact CE1-CG 3.28Å; V675-K684 CarbonylContact C-O 3.52Å; V675-K684 WeakPolarHBondContact CA-O 3.32Å; S676-K684 PolarHBondContact N-O 2.79Å; S676-K684 PolarHBondContact O-N 2.91Å; S676-K684 PolarHBondContact OG-O 3.28Å; K684-W686 HydrophobicContact CB-CZ2 4.25Å; K684-W686 HydrophobicContact CD-CZ2 4.33Å; K684-E693 VanDerWaalsContact CD-OE1 3.24Å; K684-E693 WeakPolarHBondContact CD-OE1 3.25Å; K684-E693 VanDerWaalsContact CE-OE1 3.26Å; K684-E693 WeakPolarHBondContact CE-OE1 3.45Å; K684-E693 IonicContact NZ-OE1 3.87Å; K684-E693 PolarHBondContact NZ-OE1 3.45Å; K684-E693 IonicContact NZ-OE2 3.88Å; K684-E693 PolarHBondContact NZ-OE2 2.8Å; K684-E693 VanDerWaalsContact NZ-OE2 3.17Å; K684-T695 WeakPolarHBondContact CA-O 3.44Å; K684-T696 HydrophobicContact CD-CG2 4.32Å; K684-T696 HydrophobicContact CG-CG2 4.03Å |
| 685 | Q | 92.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.1 | 175.2 | -168.8 | -172 | 3.7 | 0 | 0 | 110.3 | A674 I694 T695 F697 | A674-Q685 CarbonylContact O-C 3.59Å; A674-Q685 WeakPolarHBondContact O-CA 3.25Å; Q685-I694 HydrophobicContact CB-CB 4.37Å; Q685-I694 HydrophobicContact CG-CB 4.41Å; Q685-I694 HydrophobicContact CG-CD1 4.12Å; Q685-I694 PolarHBondContact O-N 2.89Å; Q685-T695 WeakPolarHBondContact CB-OG1 3.4Å; Q685-T695 PolarHBondContact N-O 2.79Å; Q685-T695 PolarHBondContact OE1-OG1 2.93Å; Q685-F697 HydrophobicContact CB-CE2 4.24Å; Q685-F697 HydrophobicContact CB-CZ 4.11Å |
| 686 | W | 91.8 | Very high | 90.3 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.3 | -173.8 | -56.8 | 97.4 | 0 | 0 | 0 | 111.2 | F655 S657 L673 A674 S676 K684 R692 E693 | F655-W686 HydrophobicContact CB-CH2 3.6Å; F655-W686 HydrophobicContact CB-CZ2 3.98Å; F655-W686 HydrophobicContact CB-CZ3 3.95Å; F655-W686 HydrophobicContact CD1-CD2 4.33Å; F655-W686 AromaticContact CD1-CE3 3.58Å; F655-W686 HydrophobicContact CD1-CE3 3.58Å; F655-W686 AromaticContact CD1-CH2 3.96Å; F655-W686 HydrophobicContact CD1-CH2 3.96Å; F655-W686 AromaticContact CD1-CZ3 3.36Å; F655-W686 HydrophobicContact CD1-CZ3 3.36Å; F655-W686 AromaticContact CE1-CE3 3.81Å; F655-W686 HydrophobicContact CE1-CE3 3.81Å; F655-W686 HydrophobicContact CE1-CZ3 4.02Å; F655-W686 HydrophobicContact CG-CD2 4.39Å; F655-W686 HydrophobicContact CG-CE3 4.04Å; F655-W686 AromaticContact CG-CH2 3.98Å; F655-W686 HydrophobicContact CG-CH2 3.98Å; F655-W686 HydrophobicContact CG-CZ2 4.38Å; F655-W686 AromaticContact CG-CZ3 3.82Å; F655-W686 HydrophobicContact CG-CZ3 3.82Å; F655-W686 HydrophobicContact CZ-CE3 4.44Å; S657-W686 WeakPolarHBondContact OG-CH2 3.26Å; S657-W686 VanDerWaalsContact OG-CZ2 3.23Å; S657-W686 WeakPolarHBondContact OG-CZ2 3.14Å; L673-W686 WeakPolarHBondContact CA-O 3.49Å; A674-W686 HydrophobicContact CB-CB 4.28Å; A674-W686 PolarHBondContact N-O 3.1Å; A674-W686 PolarHBondContact O-N 3.47Å; S676-W686 PolarHBondContact OG-NE1 3.46Å; K684-W686 HydrophobicContact CB-CZ2 4.25Å; K684-W686 HydrophobicContact CD-CZ2 4.33Å; W686-R692 WeakPolarHBondContact CA-O 3.09Å; W686-E693 HydrophobicContact CE3-CB 3.92Å; W686-E693 HydrophobicContact CE3-CG 4.48Å; W686-E693 HydrophobicContact CH2-CB 4.25Å; W686-E693 HydrophobicContact CH2-CG 4.45Å; W686-E693 HydrophobicContact CZ3-CB 3.62Å; W686-E693 HydrophobicContact CZ3-CG 4.23Å |
| 687 | D | 90.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 115.6 | 161.1 | -168.5 | -23.5 | 0 | 0 | 0 | 109 | Y7 L673 K689 K690 F691 R692 I694 | Y7-D687 HydrophobicContact CE1-CB 4.4Å; Y7-D687 PolarHBondContact OH-OD2 2.99Å; L673-D687 HydrophobicContact CD2-CB 4.41Å; D687-K689 PolarHBondContact OD1-N 2.89Å; D687-K690 HydrophobicContact CB-CB 4.23Å; D687-K690 PolarHBondContact OD1-N 2.99Å; D687-K690 WeakPolarHBondContact OD2-CD 3.23Å; D687-K690 WeakPolarHBondContact OD2-CE 3.48Å; D687-K690 WeakPolarHBondContact OD2-CG 3.43Å; D687-K690 IonicContact OD2-NZ 2.88Å; D687-F691 WeakPolarHBondContact O-CA 3.34Å; D687-F691 PolarHBondContact O-N 2.86Å; D687-R692 PolarHBondContact N-O 2.94Å; D687-R692 PolarHBondContact O-N 3.48Å; D687-I694 HydrophobicContact CB-CD1 3.99Å; D687-I694 HydrophobicContact CB-CG1 4.15Å |
| 688 | I | 90.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -34.1 | -177.4 | -53.6 | 157.2 | 0 | 0 | 0 | 110.8 | L631 L643 F667 S672 A674 F691 | L631-I688 HydrophobicContact CD1-CG2 3.64Å; L643-I688 HydrophobicContact CD1-CG2 3.83Å; L643-I688 HydrophobicContact CD2-CG2 3.48Å; L643-I688 VanDerWaalsContact CD2-CG2 3.48Å; L643-I688 HydrophobicContact CG-CG2 4.31Å; F667-I688 HydrophobicContact CD1-CD1 3.39Å; F667-I688 HydrophobicContact CD1-CG1 4.43Å; F667-I688 HydrophobicContact CE1-CD1 3.19Å; F667-I688 HydrophobicContact CE1-CG1 3.96Å; F667-I688 HydrophobicContact CZ-CD1 4.36Å; S672-I688 VanDerWaalsContact C-CD1 3.44Å; S672-I688 VanDerWaalsContact O-CB 3.3Å; S672-I688 WeakPolarHBondContact O-CB 3.45Å; S672-I688 VanDerWaalsContact O-CD1 3.23Å; S672-I688 WeakPolarHBondContact O-CD1 3.28Å; S672-I688 WeakPolarHBondContact O-CG1 3.41Å; S672-I688 PolarHBondContact O-N 2.86Å; A674-I688 HydrophobicContact CB-CD1 4.09Å; A674-I688 HydrophobicContact CB-CG1 3.96Å; I688-F691 WeakPolarHBondContact O-CD1 3.48Å; I688-F691 WeakPolarHBondContact O-CE1 3.41Å |
| 689 | K | 88.5 | Confident | 88.7 | Confident | 153 Ų | 153 | 46 Ų | 46 | 67% | 0.665 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -42.2 | -179 | -75.3 | 176.1 | 179.6 | 177 | 0 | 110.8 | D687 | D687-K689 PolarHBondContact OD1-N 2.89Š|
| 690 | K | 86.3 | Confident | 88.4 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 34% | 0.335 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.4 | -178.5 | -58.5 | -175.4 | -159.4 | 162.2 | 0 | 113.5 | H5 Y7 D687 R692 | H5-K690 PolarHBondContact ND1-NZ 3.31Å; Y7-K690 WeakPolarHBondContact OH-CD 3.47Å; Y7-K690 WeakPolarHBondContact OH-CE 3.46Å; Y7-K690 PolarHBondContact OH-NZ 2.76Å; D687-K690 HydrophobicContact CB-CB 4.23Å; D687-K690 PolarHBondContact OD1-N 2.99Å; D687-K690 WeakPolarHBondContact OD2-CD 3.23Å; D687-K690 WeakPolarHBondContact OD2-CE 3.48Å; D687-K690 WeakPolarHBondContact OD2-CG 3.43Å; D687-K690 IonicContact OD2-NZ 2.88Å; K690-R692 HydrophobicContact CB-CG 4.45Å; K690-R692 PolarHBondContact O-N 3.33Å |
| 691 | F | 87.4 | Confident | 87.9 | Confident | 79 Ų | 79 | 43 Ų | 43 | 35% | 0.346 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 35.8 | -175 | -51.1 | -69 | 0 | 0 | 0 | 113.9 | L643 Q652 R653 F655 D687 I688 | L643-F691 HydrophobicContact CD2-CD1 4.23Å; L643-F691 HydrophobicContact CD2-CE1 3.63Å; Q652-F691 HydrophobicContact CB-CE1 4.41Å; R653-F691 HydrophobicContact CB-CD1 3.76Å; R653-F691 HydrophobicContact CB-CE1 4.19Å; R653-F691 HydrophobicContact CB-CG 4.39Å; R653-F691 HydrophobicContact CG-CB 4.16Å; R653-F691 HydrophobicContact CG-CD1 4.1Å; R653-F691 HydrophobicContact CG-CG 4.3Å; F655-F691 HydrophobicContact CE1-CB 4.25Å; F655-F691 HydrophobicContact CZ-CD1 4.29Å; D687-F691 WeakPolarHBondContact O-CA 3.34Å; D687-F691 PolarHBondContact O-N 2.86Å; I688-F691 WeakPolarHBondContact O-CD1 3.48Å; I688-F691 WeakPolarHBondContact O-CE1 3.41Å |
| 692 | R | 85.6 | Confident | 87.7 | Confident | 128 Ų | 128 | 43.8 Ų | 43.8 | 48% | 0.483 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 147.9 | -179.9 | -67.9 | -171 | -177.3 | -171.7 | 2.3 | 111.2 | W686 D687 K690 | W686-R692 WeakPolarHBondContact CA-O 3.09Å; D687-R692 PolarHBondContact N-O 2.94Å; D687-R692 PolarHBondContact O-N 3.48Å; K690-R692 HydrophobicContact CB-CG 4.45Å; K690-R692 PolarHBondContact O-N 3.33Å |
| 693 | E | 88.2 | Confident | 87.6 | Confident | 57 Ų | 57 | 41.8 Ų | 41.8 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136 | 164.1 | -172.1 | 168 | 156.5 | 0 | 0 | 108 | S657 K684 W686 T696 | S657-E693 WeakPolarHBondContact CB-OE2 3.41Å; S657-E693 PolarHBondContact OG-OE2 2.78Å; K684-E693 VanDerWaalsContact CD-OE1 3.24Å; K684-E693 WeakPolarHBondContact CD-OE1 3.25Å; K684-E693 VanDerWaalsContact CE-OE1 3.26Å; K684-E693 WeakPolarHBondContact CE-OE1 3.45Å; K684-E693 IonicContact NZ-OE1 3.87Å; K684-E693 PolarHBondContact NZ-OE1 3.45Å; K684-E693 IonicContact NZ-OE2 3.88Å; K684-E693 PolarHBondContact NZ-OE2 2.8Å; K684-E693 VanDerWaalsContact NZ-OE2 3.17Å; W686-E693 HydrophobicContact CE3-CB 3.92Å; W686-E693 HydrophobicContact CE3-CG 4.48Å; W686-E693 HydrophobicContact CH2-CB 4.25Å; W686-E693 HydrophobicContact CH2-CG 4.45Å; W686-E693 HydrophobicContact CZ3-CB 3.62Å; W686-E693 HydrophobicContact CZ3-CG 4.23Å; E693-T696 WeakPolarHBondContact OE1-CG2 3.26Å |
| 694 | I | 88 | Confident | 87.6 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -62.1 | 178.9 | -56.3 | 172.9 | 0 | 0 | 0 | 108.7 | Y7 L673 Q685 D687 L773 L775 | Y7-I694 HydrophobicContact CD1-CD1 3.61Å; Y7-I694 HydrophobicContact CD1-CG1 4.29Å; Y7-I694 HydrophobicContact CD1-CG2 4.16Å; Y7-I694 HydrophobicContact CD2-CG1 4.47Å; Y7-I694 HydrophobicContact CD2-CG2 3.76Å; Y7-I694 HydrophobicContact CE1-CD1 3.54Å; Y7-I694 HydrophobicContact CE1-CG1 4.11Å; Y7-I694 HydrophobicContact CE2-CG1 4.31Å; Y7-I694 HydrophobicContact CE2-CG2 4.37Å; Y7-I694 HydrophobicContact CG-CD1 4.16Å; Y7-I694 HydrophobicContact CG-CG1 4.46Å; Y7-I694 HydrophobicContact CG-CG2 3.64Å; L673-I694 HydrophobicContact CD2-CD1 3.49Å; L673-I694 VanDerWaalsContact CD2-CD1 3.49Å; Q685-I694 HydrophobicContact CB-CB 4.37Å; Q685-I694 HydrophobicContact CG-CB 4.41Å; Q685-I694 HydrophobicContact CG-CD1 4.12Å; Q685-I694 PolarHBondContact O-N 2.89Å; D687-I694 HydrophobicContact CB-CD1 3.99Å; D687-I694 HydrophobicContact CB-CG1 4.15Å; I694-L773 HydrophobicContact CG2-CD2 3.73Å; I694-L775 HydrophobicContact CB-CD2 4.39Å; I694-L775 HydrophobicContact CG2-CD2 3.86Å; I694-L775 WeakPolarHBondContact O-CD2 3.36Å |
| 695 | T | 86.4 | Confident | 87.6 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 157.5 | -175.7 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | K684 Q685 F697 L773 | K684-T695 WeakPolarHBondContact CA-O 3.44Å; Q685-T695 WeakPolarHBondContact CB-OG1 3.4Å; Q685-T695 PolarHBondContact N-O 2.79Å; Q685-T695 PolarHBondContact OE1-OG1 2.93Å; T695-F697 WeakPolarHBondContact OG1-CE1 3.39Å; T695-F697 WeakPolarHBondContact OG1-CZ 3.46Å; T695-L773 HydrophobicContact CG2-CD1 4.2Å; T695-L773 HydrophobicContact CG2-CD2 3.14Å; T695-L773 HydrophobicContact CG2-CG 4.25Å |
| 696 | T | 88.8 | Confident | 87.6 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 33% | 0.331 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.1 | 164.6 | 70.7 | 0 | 0 | 0 | 0 | 110.1 | I683 K684 E693 | I683-T696 CarbonylContact O-C 3.54Å; I683-T696 WeakPolarHBondContact O-CA 3.5Å; K684-T696 HydrophobicContact CD-CG2 4.32Å; K684-T696 HydrophobicContact CG-CG2 4.03Å; E693-T696 WeakPolarHBondContact OE1-CG2 3.26Å |
| 697 | F | 87.3 | Confident | 87.7 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.8 | 169.4 | -44.6 | -52 | 0 | 0 | 0 | 109.6 | Y10 I683 Q685 T695 I754 W766 | Y10-F697 VanDerWaalsContact CB-CE1 3.46Å; Y10-F697 HydrophobicContact CD2-CE1 4.48Å; Y10-F697 HydrophobicContact CD2-CZ 4.03Å; Y10-F697 HydrophobicContact CG-CE1 4.19Å; Y10-F697 AromaticContact CG-CZ 3.88Å; Y10-F697 HydrophobicContact CG-CZ 3.88Å; I683-F697 HydrophobicContact CB-CB 4.11Å; I683-F697 HydrophobicContact CB-CD2 3.87Å; I683-F697 HydrophobicContact CB-CG 4.48Å; I683-F697 HydrophobicContact CG2-CD2 3.68Å; I683-F697 HydrophobicContact CG2-CE2 4.33Å; I683-F697 PolarHBondContact N-O 2.83Å; I683-F697 VanDerWaalsContact N-O 3.12Å; I683-F697 PolarHBondContact O-N 3.45Å; Q685-F697 HydrophobicContact CB-CE2 4.24Å; Q685-F697 HydrophobicContact CB-CZ 4.11Å; T695-F697 WeakPolarHBondContact OG1-CE1 3.39Å; T695-F697 WeakPolarHBondContact OG1-CZ 3.46Å; F697-I754 HydrophobicContact CE2-CD1 3.72Å; F697-I754 HydrophobicContact CZ-CD1 4.16Å; F697-W766 HydrophobicContact CB-CD2 4.37Å; F697-W766 HydrophobicContact CB-CE3 4.21Å; F697-W766 HydrophobicContact CB-CH2 3.78Å; F697-W766 HydrophobicContact CB-CZ2 3.93Å; F697-W766 HydrophobicContact CB-CZ3 3.91Å; F697-W766 HydrophobicContact CD1-CE3 4.23Å; F697-W766 HydrophobicContact CD1-CZ3 4.4Å; F697-W766 HydrophobicContact CG-CD2 4.34Å; F697-W766 HydrophobicContact CG-CE3 4.21Å; F697-W766 HydrophobicContact CG-CZ3 4.35Å |
| 698 | K | 84.6 | Confident | 87.8 | Confident | 136 Ų | 136 | 43.4 Ų | 43.4 | 59% | 0.591 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.2 | 172.5 | -62.4 | 177.6 | -177.1 | 173.7 | 0 | 108.1 | C68 | C68-K698 PolarHBondContact SG-O 3.31Å; C68-K698 VanDerWaalsContact SG-O 3.34Å |
| 699 | G | 79.1 | Confident | 87.9 | Confident | 4 Ų | 4 | 44 Ų | 44 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | trans | 172.2 | -32.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R764 | G699-R764 PolarHBondContact O-NE 3.32Å; G699-R764 PolarHBondContact O-NH2 3.47Å | ||
| 700 | H | 85.8 | Confident | 87.8 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | trans | -77.8 | 131.7 | 176.1 | -71.7 | -82.1 | 0 | 0 | 0 | 110 | G702 V704 S756 D760 S762 | H700-G702 PolarHBondContact O-N 2.9Å; H700-V704 HydrophobicContact CB-CG2 4.08Å; H700-S756 WeakPolarHBondContact NE2-CB 3.28Å; H700-S756 PolarHBondContact NE2-OG 3.34Å; H700-D760 IonicContact ND1-OD1 3.84Å; H700-S762 PolarHBondContact CE1-OG 3.19Å; H700-S762 PolarHBondContact ND1-OG 3.04Å | ||
| 701 | N | 79.2 | Confident | 87.6 | Confident | 69 Ų | 69 | 34.3 Ų | 34.3 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -93.9 | 23.1 | 179.1 | -72.5 | -52.5 | 0 | 0 | 0 | 112.4 | P70 D760 | P70-N701 WeakPolarHBondContact CD-OD1 3.22Å; N701-D760 PolarHBondContact N-OD2 2.87Å |
| 702 | G | 82.8 | Confident | 86.7 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 22% | 0.216 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -172.8 | -176.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G681 H700 V704 | G681-G702 WeakPolarHBondContact CA-O 3.41Å; H700-G702 PolarHBondContact O-N 2.9Å; G702-V704 PolarHBondContact O-N 3.39Å |
| 703 | S | 91.1 | Very high | 85.3 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | trans | -55.9 | 127 | -178.8 | 177 | 0 | 0 | 0 | 0 | 111.7 | K679 T705 Q759 | K679-S703 WeakPolarHBondContact CA-OG 3.43Å; K679-S703 WeakPolarHBondContact O-CA 3.42Å; K679-S703 WeakPolarHBondContact O-CB 3.41Å; K679-S703 PolarHBondContact O-N 2.81Å; S703-T705 PolarHBondContact O-N 3.3Å; S703-Q759 PolarHBondContact O-N 2.78Å | ||
| 704 | V | 93.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.2 | 168.5 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | T663 D678 I683 H700 G702 L707 T757 | T663-V704 WeakPolarHBondContact CB-O 3.06Å; T663-V704 VanDerWaalsContact CG2-O 3.26Å; T663-V704 WeakPolarHBondContact CG2-O 3.26Å; T663-V704 PolarHBondContact OG1-O 2.91Å; D678-V704 PolarHBondContact O-N 2.87Å; I683-V704 HydrophobicContact CD1-CG2 4.46Å; I683-V704 HydrophobicContact CG1-CG2 4.05Å; H700-V704 HydrophobicContact CB-CG2 4.08Å; G702-V704 PolarHBondContact O-N 3.39Å; V704-L707 HydrophobicContact CG1-CD2 4.17Å; V704-L707 HydrophobicContact CG1-CG 4.42Å; V704-T757 CarbonylContact C-O 3.55Å; V704-T757 WeakPolarHBondContact CA-O 3.34Å; V704-T757 WeakPolarHBondContact CG1-O 3.45Å |
| 705 | T | 91.8 | Very high | 81.6 | Confident | 30 Ų | 30 | 33.4 Ų | 33.4 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -41.6 | -177.4 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | V422 C664 S703 T757 Q759 | V422-T705 WeakPolarHBondContact O-CB 3.33Å; V422-T705 VanDerWaalsContact O-CG2 3.25Å; V422-T705 WeakPolarHBondContact O-CG2 3.27Å; V422-T705 PolarHBondContact O-OG1 3.22Å; C664-T705 PolarHBondContact SG-O 2.67Å; C664-T705 VanDerWaalsContact SG-O 3.37Å; S703-T705 PolarHBondContact O-N 3.3Å; T705-T757 PolarHBondContact N-O 3.17Å; T705-T757 PolarHBondContact OG1-O 2.87Å; T705-T757 VanDerWaalsContact OG1-O 3.11Å; T705-T757 PolarHBondContact OG1-OG1 2.83Å; T705-Q759 HydrophobicContact CG2-CG 3.55Å |
| 706 | C | 92.3 | Very high | 79.3 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 152 | -176 | -161.3 | 0 | 0 | 0 | 0 | 112.2 | I423 C425 T757 | I423-C706 WeakPolarHBondContact O-CB 3.33Å; C425-C706 VanDerWaalsContact SG-SG 3.64Å; C706-T757 PolarHBondContact N-OG1 2.92Å; C706-T757 PolarHBondContact O-N 3.18Å; C706-T757 PolarHBondContact O-OG1 3.4Å |
| 707 | L | 93.8 | Very high | 76.8 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.5 | 172.6 | -70.2 | 178 | 0 | 0 | 0 | 109.7 | C664 V675 I683 V704 I754 L755 | C664-L707 HydrophobicContact CB-CB 4.12Å; C664-L707 HydrophobicContact CB-CD1 4.29Å; C664-L707 HydrophobicContact CB-CG 4.11Å; V675-L707 HydrophobicContact CG1-CD1 3.91Å; I683-L707 HydrophobicContact CD1-CD2 3.96Å; I683-L707 HydrophobicContact CG1-CD2 4.3Å; I683-L707 HydrophobicContact CG2-CD1 4.27Å; I683-L707 HydrophobicContact CG2-CD2 4.26Å; V704-L707 HydrophobicContact CG1-CD2 4.17Å; V704-L707 HydrophobicContact CG1-CG 4.42Å; L707-I754 HydrophobicContact CD2-CG2 4.48Å; L707-L755 WeakPolarHBondContact CA-O 3.46Å |
| 708 | A | 93.3 | Very high | 74.5 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F427 L755 | F427-A708 HydrophobicContact CD2-CB 4.08Å; F427-A708 HydrophobicContact CE2-CB 4.31Å; F427-A708 WeakPolarHBondContact CE2-O 3.4Å; A708-L755 HydrophobicContact CB-CB 4.28Å; A708-L755 HydrophobicContact CB-CD2 4.32Å; A708-L755 PolarHBondContact N-O 2.7Å; A708-L755 PolarHBondContact O-N 3.12Å |
| 709 | T | 92 | Very high | 72.3 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 14% | 0.135 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148 | -178.7 | 53.1 | 0 | 0 | 0 | 0 | 109.7 | R666 F667 I668 L753 I754 | R666-T709 HydrophobicContact CB-CG2 3.96Å; R666-T709 HydrophobicContact CG-CG2 3.99Å; R666-T709 WeakPolarHBondContact CG-OG1 3.36Å; F667-T709 PolarHBondContact O-OG1 2.87Å; I668-T709 HydrophobicContact CG1-CG2 3.97Å; T709-L753 CarbonylContact C-O 3.6Å; T709-L753 VanDerWaalsContact CA-O 3.3Å; T709-L753 WeakPolarHBondContact CA-O 3.5Å; T709-I754 HydrophobicContact CG2-CG1 4.4Å |
| 710 | T | 87.4 | Confident | 70.5 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 176.4 | 171.8 | -169 | 0 | 0 | 0 | 0 | 109.8 | F427 N431 G752 L753 | F427-T710 HydrophobicContact CB-CG2 4.37Å; F427-T710 HydrophobicContact CD1-CG2 4.11Å; F427-T710 HydrophobicContact CD2-CG2 3.54Å; F427-T710 HydrophobicContact CE1-CG2 4.23Å; F427-T710 HydrophobicContact CE2-CG2 3.66Å; F427-T710 HydrophobicContact CG-CG2 3.75Å; F427-T710 HydrophobicContact CZ-CG2 3.98Å; N431-T710 HydrophobicContact CB-CG2 4.35Å; N431-T710 PolarHBondContact ND2-OG1 3.47Å; N431-T710 WeakPolarHBondContact OD1-CB 3.48Å; N431-T710 WeakPolarHBondContact OD1-CG2 3.43Å; N431-T710 PolarHBondContact OD1-OG1 3.12Å; T710-G752 CarbonylContact O-C 3.58Å; T710-G752 WeakPolarHBondContact O-CA 3.04Å; T710-L753 HydrophobicContact CG2-CB 3.51Å; T710-L753 HydrophobicContact CG2-CD1 4.1Å; T710-L753 HydrophobicContact CG2-CG 4.41Å; T710-L753 PolarHBondContact N-O 2.79Å; T710-L753 PolarHBondContact O-N 3.09Å |
| 711 | I | 82.6 | Confident | 68.2 | Low | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 144.2 | 177.4 | -65.3 | 147.7 | 0 | 0 | 0 | 109.6 | N431 P669 H670 W750 | N431-I711 PolarHBondContact ND2-O 3.3Å; P669-I711 HydrophobicContact CB-CD1 3.86Å; P669-I711 HydrophobicContact CB-CG1 4.4Å; P669-I711 HydrophobicContact CG-CD1 3.81Å; P669-I711 HydrophobicContact CG-CG1 3.89Å; P669-I711 VanDerWaalsContact O-CD1 3.3Å; P669-I711 WeakPolarHBondContact O-CD1 3.27Å; P669-I711 WeakPolarHBondContact O-CG1 3.31Å; H670-I711 HydrophobicContact CB-CD1 4.02Å; H670-I711 WeakPolarHBondContact CD2-CD1 3.39Å; I711-W750 HydrophobicContact CG2-CE3 4.24Å |
| 712 | T | 67.6 | Low | 65.8 | Low | 49 Ų | 49 | 57.9 Ų | 57.9 | 30% | 0.301 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -64.8 | -40.5 | 179.2 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | G751 L753 | T712-G751 WeakPolarHBondContact CG2-O 3.5Å; T712-G751 PolarHBondContact N-O 2.95Å; T712-G751 PolarHBondContact OG1-O 3.25Å; T712-L753 HydrophobicContact CG2-CD1 3.48Å; T712-L753 VanDerWaalsContact CG2-CD1 3.48Å; T712-L753 HydrophobicContact CG2-CG 3.97Å |
| 713 | N | 56.7 | Low | 63.3 | Low | 72 Ų | 72 | 62.4 Ų | 62.4 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | trans | -104 | 79.3 | -172.3 | -72.1 | -30.7 | 0 | 0 | 0 | 113.7 | A715 L716 W750 | N713-A715 VanDerWaalsContact C-N 3.27Å; N713-A715 PolarHBondContact O-N 2.96Å; N713-L716 HydrophobicContact CB-CD1 4.21Å; N713-W750 HydrophobicContact CB-CZ3 4.41Å | ||
| 714 | T | 55.5 | Low | 60.4 | Low | 62 Ų | 62 | 70 Ų | 70 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.3 | -23.8 | 169.4 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | N431 L716 L717 | N431-T714 VanDerWaalsContact ND2-CG2 3.25Å; N431-T714 WeakPolarHBondContact ND2-CG2 3.42Å; T714-L716 PolarHBondContact O-N 3.13Å; T714-L717 PolarHBondContact O-N 2.97Å |
| 715 | A | 43.2 | Very low | 57.3 | Low | 69 Ų | 69 | 77.2 Ų | 77.2 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72 | -24.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N713 T718 | N713-A715 VanDerWaalsContact C-N 3.27Å; N713-A715 PolarHBondContact O-N 2.96Å; A715-T718 PolarHBondContact O-OG1 3.28Å |
| 716 | L | 36.9 | Very low | 54.3 | Low | 84 Ų | 84 | 84.2 Ų | 84.2 | 44% | 0.44 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -81.8 | -27.8 | 178.4 | -82.5 | 155.9 | 0 | 0 | 0 | 112.6 | N713 T714 T718 Q719 K720 W750 | N713-L716 HydrophobicContact CB-CD1 4.21Å; T714-L716 PolarHBondContact O-N 3.13Å; L716-T718 PolarHBondContact O-N 2.95Å; L716-Q719 PolarHBondContact O-N 3.42Å; L716-Q719 VanDerWaalsContact O-N 3.14Å; L716-K720 PolarHBondContact O-N 3.5Å; L716-W750 HydrophobicContact CB-CH2 4.02Å; L716-W750 HydrophobicContact CB-CZ3 4.23Å |
| 717 | L | 37.4 | Very low | 51.4 | Low | 63 Ų | 63 | 91.2 Ų | 91.2 | 33% | 0.33 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -27.9 | 176.2 | -89.5 | 149.6 | 0 | 0 | 0 | 112.8 | T714 | T714-L717 PolarHBondContact O-N 2.97Å |
| 718 | T | 38.9 | Very low | 48.3 | Very low | 98 Ų | 98 | 96.6 Ų | 96.6 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -77.9 | -30.1 | 176 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | A715 L716 | A715-T718 PolarHBondContact O-OG1 3.28Å; L716-T718 PolarHBondContact O-N 2.95Å |
| 719 | Q | 38.5 | Very low | 45.2 | Very low | 136 Ų | 136 | 107.8 Ų | 107.8 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.7 | -32.6 | 176.7 | -69.7 | -164.2 | -0.7 | 0 | 0 | 113.5 | L716 K721 T722 | L716-Q719 PolarHBondContact O-N 3.42Å; L716-Q719 VanDerWaalsContact O-N 3.14Å; Q719-K721 VanDerWaalsContact C-N 3.3Å; Q719-K721 PolarHBondContact O-N 3.32Å; Q719-T722 PolarHBondContact O-OG1 3.09Å |
| 720 | K | 39.9 | Very low | 42.2 | Very low | 159 Ų | 159 | 117 Ų | 117 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -17.9 | 176.7 | -105.7 | -177.4 | 177.7 | 178.7 | 0 | 113.7 | L716 | L716-K720 PolarHBondContact O-N 3.5Š|
| 721 | K | 38.9 | Very low | 39.4 | Very low | 178 Ų | 178 | 120.9 Ų | 120.9 | 77% | 0.774 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -5.3 | -179.5 | -83.1 | -174.7 | 176.2 | 179.9 | 0 | 114.7 | Q719 | Q719-K721 VanDerWaalsContact C-N 3.3Å; Q719-K721 PolarHBondContact O-N 3.32Å |
| 722 | T | 28 | Very low | 36.8 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -92.1 | 120.5 | 165.8 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | Q719 K724 | Q719-T722 PolarHBondContact O-OG1 3.09Å; T722-K724 PolarHBondContact O-N 3.02Å |
| 723 | P | 30.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | trans | -66.3 | 103.8 | 172 | 27.2 | -31 | 0 | 0 | 0 | 107.7 | L725 | P723-L725 PolarHBondContact O-N 3.4Š| ||
| 724 | K | 29.5 | Very low | 33.9 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | trans | -62.9 | 107 | 164.5 | -81.5 | -175.7 | 178 | 178.2 | 0 | 107.2 | T722 E726 | T722-K724 PolarHBondContact O-N 3.02Å; K724-E726 PolarHBondContact O-N 2.67Å | ||
| 725 | L | 28.6 | Very low | 32.7 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -62.7 | 75 | 164.7 | -92.1 | 142.2 | 0 | 0 | 0 | 109.3 | P723 K727 | P723-L725 PolarHBondContact O-N 3.4Å; L725-K727 PolarHBondContact O-N 3.17Å | ||
| 726 | E | 29.6 | Very low | 32.2 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | -82.3 | 93.5 | 164.9 | -92.5 | -176.9 | 175.8 | 0 | 0 | 109.3 | K724 | K724-E726 PolarHBondContact O-N 2.67Š| ||
| 727 | K | 31 | Very low | 32 | Very low | 166 Ų | 166 | 153 Ų | 153 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -67.7 | 124.4 | 168.2 | -71.3 | 177.3 | 176.1 | 176.8 | 0 | 109.6 | L725 | L725-K727 PolarHBondContact O-N 3.17Š| ||
| 728 | T | 27.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 157.5 Ų | 157.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 55.7 | 107.3 | 140.5 | 57.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 729 | R | 29.5 | Very low | 31.4 | Very low | 244 Ų | 244 | 161.9 Ų | 161.9 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | -168.2 | 80.3 | 128.9 | -106.2 | 167.6 | 172 | -172.1 | -2.8 | 111.6 | |||||
| 730 | K | 27.7 | Very low | 31.1 | Very low | 217 Ų | 217 | 158.6 Ų | 158.6 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | trans | -92.3 | 97.4 | 154.9 | -80.3 | -175.9 | 175.4 | 180 | 0 | 107.5 | ||||
| 731 | S | 30 | Very low | 30.6 | Very low | 100 Ų | 100 | 156.4 Ų | 156.4 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -173.4 | 128.9 | 155.3 | 57.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 732 | R | 27.3 | Very low | 30.4 | Very low | 248 Ų | 248 | 153.8 Ų | 153.8 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | 73.2 | 90.5 | 162.7 | -77.9 | 178.8 | 161.9 | 162.7 | -5.4 | 118.2 | ||||
| 733 | A | 32.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 156.8 Ų | 156.8 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | -162.6 | 93.1 | 123 | 0 | 0 | 0 | 0 | 0 | 108.5 | N735 | A733-N735 PolarHBondContact O-N 2.79Š| |||
| 734 | Q | 30.4 | Very low | 31.5 | Very low | 187 Ų | 187 | 158.6 Ų | 158.6 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -68.8 | 117.2 | 151.1 | -82.7 | 165.4 | -47.7 | 0 | 0 | 105.9 | ||||
| 735 | N | 30.6 | Very low | 32.1 | Very low | 143 Ų | 143 | 155.3 Ų | 155.3 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | 146.7 | 86.9 | 156.8 | -77 | -5.9 | 0 | 0 | 0 | 108.2 | A733 | A733-N735 PolarHBondContact O-N 2.79Š| ||
| 736 | N | 33.1 | Very low | 32.3 | Very low | 161 Ų | 161 | 155.4 Ų | 155.4 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | -179.2 | 119.9 | 117.6 | -84.2 | -12.3 | 0 | 0 | 0 | 108.1 | |||||
| 737 | Q | 31.5 | Very low | 32.8 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -62.6 | 153.6 | 157.4 | -74.2 | 166.9 | -33.6 | 0 | 0 | 108 | ||||
| 738 | D | 33.2 | Very low | 33.4 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | 104.8 | 125.6 | 169.3 | -52.3 | -26.4 | 0 | 0 | 0 | 116 | ||||
| 739 | E | 31.8 | Very low | 34.1 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | 90.4 | 73.5 | 178.8 | -50.5 | -145.8 | 176.6 | 0 | 0 | 116.7 | ||||
| 740 | G | 31.1 | Very low | 35 | Very low | 67 Ų | 67 | 143.9 Ų | 143.9 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | -82 | 144.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 741 | S | 30.8 | Very low | 36.3 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | 62.5 | 84.3 | 159.7 | 66.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 742 | N | 33.8 | Very low | 38.5 | Very low | 122 Ų | 122 | 129 Ų | 129 | 65% | 0.652 | 68% | 0.679 | S | S | * | * | trans | -141.9 | 12.2 | 155.1 | -80.1 | -31.7 | 0 | 0 | 0 | 113.1 | ||||
| 743 | D | 38.1 | Very low | 41.4 | Very low | 154 Ų | 154 | 117.2 Ų | 117.2 | 82% | 0.824 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -6.9 | -174.6 | -72.4 | -23.2 | 0 | 0 | 0 | 114.3 | ||
| 744 | D | 43 | Very low | 44.2 | Very low | 153 Ų | 153 | 112.4 Ų | 112.4 | 82% | 0.818 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -8.6 | 178 | -71.5 | -27.4 | 0 | 0 | 0 | 113.4 | ||
| 745 | D | 42.3 | Very low | 47.1 | Very low | 107 Ų | 107 | 103.5 Ų | 103.5 | 57% | 0.572 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -92 | -2.6 | -174.4 | -67.3 | -25.5 | 0 | 0 | 0 | 113.7 | D747 | D745-D747 VanDerWaalsContact C-N 3.34Å; D745-D747 PolarHBondContact O-N 3.5Å |
| 746 | M | 32.7 | Very low | 50.1 | Low | 153 Ų | 153 | 96.7 Ų | 96.7 | 75% | 0.754 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -87 | 2.5 | -177.2 | -72.5 | -66.8 | -72.3 | 0 | 0 | 114.6 | ||
| 747 | D | 40 | Very low | 52.9 | Low | 112 Ų | 112 | 89 Ų | 89 | 60% | 0.599 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -91.2 | 4.9 | 179.6 | -87.8 | -22.2 | 0 | 0 | 0 | 114.2 | D745 W750 | D745-D747 VanDerWaalsContact C-N 3.34Å; D745-D747 PolarHBondContact O-N 3.5Å; D747-W750 VanDerWaalsContact O-CD1 3.24Å |
| 748 | E | 43.5 | Very low | 55.6 | Low | 159 Ų | 159 | 80.5 Ų | 80.5 | 74% | 0.743 | 44% | 0.436 | S | S | * | . | trans | -95.4 | 5.9 | -171.7 | -66.2 | -162.9 | 149.4 | 0 | 0 | 116.5 | W750 | E748-W750 PolarHBondContact O-N 3.19Š| ||
| 749 | L | 44 | Very low | 58.2 | Low | 128 Ų | 128 | 78.2 Ų | 78.2 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | trans | -94.5 | 36.6 | -177.4 | -106.2 | 148 | 0 | 0 | 0 | 114.3 | ||||
| 750 | W | 46.9 | Very low | 60.7 | Low | 70 Ų | 70 | 70.6 Ų | 70.6 | 27% | 0.265 | 39% | 0.386 | S | S | . | . | trans | -100.2 | 103.8 | 176.6 | -64.3 | 98.2 | 0 | 0 | 0 | 111.3 | T671 I711 N713 L716 D747 E748 | T671-W750 HydrophobicContact CG2-CB 4.2Å; I711-W750 HydrophobicContact CG2-CE3 4.24Å; N713-W750 HydrophobicContact CB-CZ3 4.41Å; L716-W750 HydrophobicContact CB-CH2 4.02Å; L716-W750 HydrophobicContact CB-CZ3 4.23Å; D747-W750 VanDerWaalsContact O-CD1 3.24Å; E748-W750 PolarHBondContact O-N 3.19Å | ||
| 751 | G | 55.8 | Low | 63.3 | Low | 5 Ų | 5 | 69 Ų | 69 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | trans | -82.8 | 134.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | T712 E768 | T712-G751 WeakPolarHBondContact CG2-O 3.5Å; T712-G751 PolarHBondContact N-O 2.95Å; T712-G751 PolarHBondContact OG1-O 3.25Å; G751-E768 VanDerWaalsContact CA-CD 3.43Å; G751-E768 WeakPolarHBondContact CA-OE1 3.44Å; G751-E768 WeakPolarHBondContact CA-OE2 3.48Å | ||
| 752 | G | 76.1 | Confident | 66.1 | Low | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 152.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y10 T710 E768 | Y10-G752 VanDerWaalsContact CE1-O 3.25Å; Y10-G752 WeakPolarHBondContact CE1-O 3.43Å; Y10-G752 VanDerWaalsContact OH-CA 3.25Å; Y10-G752 WeakPolarHBondContact OH-CA 3.36Å; Y10-G752 PolarHBondContact OH-N 3Å; Y10-G752 PolarHBondContact OH-O 2.92Å; T710-G752 CarbonylContact O-C 3.58Å; T710-G752 WeakPolarHBondContact O-CA 3.04Å; G752-E768 PolarHBondContact N-OE1 2.99Å; G752-E768 PolarHBondContact N-OE2 3.43Å; G752-E768 VanDerWaalsContact N-OE2 3.08Å |
| 753 | L | 87.6 | Confident | 68.8 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.5 | 170.3 | -93.5 | 133.4 | 0 | 0 | 0 | 108.1 | F427 T709 T710 T712 I765 E767 | F427-L753 HydrophobicContact CZ-CB 4.2Å; T709-L753 CarbonylContact C-O 3.6Å; T709-L753 VanDerWaalsContact CA-O 3.3Å; T709-L753 WeakPolarHBondContact CA-O 3.5Å; T710-L753 HydrophobicContact CG2-CB 3.51Å; T710-L753 HydrophobicContact CG2-CD1 4.1Å; T710-L753 HydrophobicContact CG2-CG 4.41Å; T710-L753 PolarHBondContact N-O 2.79Å; T710-L753 PolarHBondContact O-N 3.09Å; T712-L753 HydrophobicContact CG2-CD1 3.48Å; T712-L753 VanDerWaalsContact CG2-CD1 3.48Å; T712-L753 HydrophobicContact CG2-CG 3.97Å; L753-I765 HydrophobicContact CD2-CG2 3.86Å; L753-E767 HydrophobicContact CD2-CG 3.74Å; L753-E767 HydrophobicContact CG-CG 4.43Å |
| 754 | I | 91.6 | Very high | 71.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.1 | 178.8 | -52.2 | 164.2 | 0 | 0 | 0 | 108.4 | Y10 I668 V675 F697 L707 T709 I765 W766 | Y10-I754 HydrophobicContact CD1-CD1 3.75Å; Y10-I754 HydrophobicContact CD1-CG1 4.26Å; Y10-I754 HydrophobicContact CE1-CD1 3.46Å; Y10-I754 VanDerWaalsContact CE1-CD1 3.46Å; Y10-I754 HydrophobicContact CE1-CG1 3.71Å; Y10-I754 HydrophobicContact CE2-CD1 4.44Å; Y10-I754 HydrophobicContact CG-CD1 4.31Å; I668-I754 HydrophobicContact CD1-CD1 4.4Å; I668-I754 HydrophobicContact CD1-CG1 4.46Å; V675-I754 HydrophobicContact CG1-CD1 4.5Å; V675-I754 HydrophobicContact CG1-CG2 4.36Å; V675-I754 HydrophobicContact CG2-CD1 3.69Å; V675-I754 HydrophobicContact CG2-CG1 4.22Å; F697-I754 HydrophobicContact CE2-CD1 3.72Å; F697-I754 HydrophobicContact CZ-CD1 4.16Å; L707-I754 HydrophobicContact CD2-CG2 4.48Å; T709-I754 HydrophobicContact CG2-CG1 4.4Å; I754-I765 WeakPolarHBondContact O-CA 3.44Å; I754-W766 HydrophobicContact CB-CB 4.12Å; I754-W766 HydrophobicContact CB-CG 4.48Å; I754-W766 PolarHBondContact N-O 2.78Å; I754-W766 PolarHBondContact O-N 2.68Å |
| 755 | L | 92.7 | Very high | 73.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.6 | 169.6 | 176.3 | 70.6 | 0 | 0 | 0 | 108.6 | C425 F427 V434 L707 A708 I763 I765 | C425-L755 HydrophobicContact CB-CD2 3.65Å; C425-L755 HydrophobicContact CB-CG 4.35Å; F427-L755 HydrophobicContact CD2-CB 4.42Å; F427-L755 HydrophobicContact CE1-CB 4.11Å; F427-L755 HydrophobicContact CE2-CB 3.55Å; F427-L755 HydrophobicContact CZ-CB 3.39Å; F427-L755 HydrophobicContact CZ-CG 4.48Å; V434-L755 HydrophobicContact CB-CD2 4.44Å; V434-L755 HydrophobicContact CG1-CD1 3.88Å; V434-L755 HydrophobicContact CG1-CD2 3.4Å; V434-L755 HydrophobicContact CG1-CG 4.31Å; V434-L755 HydrophobicContact CG2-CD1 4.34Å; V434-L755 HydrophobicContact CG2-CD2 4.29Å; L707-L755 WeakPolarHBondContact CA-O 3.46Å; A708-L755 HydrophobicContact CB-CB 4.28Å; A708-L755 HydrophobicContact CB-CD2 4.32Å; A708-L755 PolarHBondContact N-O 2.7Å; A708-L755 PolarHBondContact O-N 3.12Å; L755-I763 HydrophobicContact CD1-CG2 3.64Å; L755-I765 HydrophobicContact CD1-CG1 3.85Å |
| 756 | S | 92.7 | Very high | 75.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.5 | 177.3 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | H700 R764 W766 | H700-S756 WeakPolarHBondContact NE2-CB 3.28Å; H700-S756 PolarHBondContact NE2-OG 3.34Å; S756-R764 PolarHBondContact N-O 3.05Å; S756-R764 PolarHBondContact O-N 2.8Å; S756-R764 PolarHBondContact OG-O 2.95Å; S756-W766 PolarHBondContact OG-NE1 3.26Å |
| 757 | T | 92.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.1 | 178.4 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | V422 C425 V704 T705 C706 S762 I763 | V422-T757 HydrophobicContact CB-CG2 4.48Å; V422-T757 HydrophobicContact CG1-CG2 3.91Å; C425-T757 HydrophobicContact CB-CG2 3.69Å; V704-T757 CarbonylContact C-O 3.55Å; V704-T757 WeakPolarHBondContact CA-O 3.34Å; V704-T757 WeakPolarHBondContact CG1-O 3.45Å; T705-T757 PolarHBondContact N-O 3.17Å; T705-T757 PolarHBondContact OG1-O 2.87Å; T705-T757 VanDerWaalsContact OG1-O 3.11Å; T705-T757 PolarHBondContact OG1-OG1 2.83Å; C706-T757 PolarHBondContact N-OG1 2.92Å; C706-T757 PolarHBondContact O-N 3.18Å; C706-T757 PolarHBondContact O-OG1 3.4Å; T757-S762 WeakPolarHBondContact CA-O 3.21Å; T757-I763 HydrophobicContact CG2-CG1 4.23Å; T757-I763 HydrophobicContact CG2-CG2 4.39Å |
| 758 | G | 87.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 161.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D760 F761 S762 | G758-D760 WeakPolarHBondContact CA-OD1 3.46Å; G758-D760 PolarHBondContact O-N 3.32Å; G758-F761 PolarHBondContact O-N 2.89Å; G758-S762 PolarHBondContact N-O 2.64Å |
| 759 | Q | 87.7 | Confident | 82.1 | Confident | 109 Ų | 109 | 23.4 Ų | 23.4 | 51% | 0.509 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.3 | 167.7 | -73.5 | -173.3 | -2.6 | 0 | 0 | 113.1 | S703 T705 F761 | S703-Q759 PolarHBondContact O-N 2.78Å; T705-Q759 HydrophobicContact CG2-CG 3.55Å; Q759-F761 PolarHBondContact O-N 2.8Å |
| 760 | D | 84.1 | Confident | 83.6 | Confident | 30 Ų | 30 | 25.1 Ų | 25.1 | 16% | 0.16 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 10.1 | 172.5 | 63.6 | -2.9 | 0 | 0 | 0 | 113.5 | I18 H700 N701 G758 S762 | I18-D760 WeakPolarHBondContact CD1-O 3.11Å; I18-D760 WeakPolarHBondContact CG1-O 3.41Å; H700-D760 IonicContact ND1-OD1 3.84Å; N701-D760 PolarHBondContact N-OD2 2.87Å; G758-D760 WeakPolarHBondContact CA-OD1 3.46Å; G758-D760 PolarHBondContact O-N 3.32Å; D760-S762 PolarHBondContact O-N 2.91Å; D760-S762 VanDerWaalsContact OD1-CB 3.23Å; D760-S762 WeakPolarHBondContact OD1-CB 3.48Å; D760-S762 PolarHBondContact OD1-N 3.25Å; D760-S762 PolarHBondContact OD1-OG 2.68Å; D760-S762 PolarHBondContact OD2-OG 3.2Å |
| 761 | F | 87 | Confident | 85.2 | Confident | 35 Ų | 35 | 26.8 Ų | 26.8 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 66.2 | 8.1 | -174.1 | -49.8 | -87.3 | 0 | 0 | 0 | 114.5 | G17 I18 N375 H418 G758 Q759 | G17-F761 CarbonylContact C-O 3.58Å; I18-F761 HydrophobicContact CG1-CB 4.4Å; N375-F761 HydrophobicContact CB-CD1 4.41Å; N375-F761 HydrophobicContact CB-CD2 4.27Å; N375-F761 HydrophobicContact CB-CE2 4.41Å; N375-F761 HydrophobicContact CB-CG 4.28Å; H418-F761 WeakPolarHBondContact O-CD1 3.17Å; G758-F761 PolarHBondContact O-N 2.89Å; Q759-F761 PolarHBondContact O-N 2.8Å |
| 762 | S | 87.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | trans | -78.8 | 141.9 | 178.6 | 75.3 | 0 | 0 | 0 | 0 | 112 | H700 T757 G758 D760 | H700-S762 PolarHBondContact CE1-OG 3.19Å; H700-S762 PolarHBondContact ND1-OG 3.04Å; T757-S762 WeakPolarHBondContact CA-O 3.21Å; G758-S762 PolarHBondContact N-O 2.64Å; D760-S762 PolarHBondContact O-N 2.91Å; D760-S762 VanDerWaalsContact OD1-CB 3.23Å; D760-S762 WeakPolarHBondContact OD1-CB 3.48Å; D760-S762 PolarHBondContact OD1-N 3.25Å; D760-S762 PolarHBondContact OD1-OG 2.68Å; D760-S762 PolarHBondContact OD2-OG 3.2Å | ||
| 763 | I | 90.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.5 | 169.7 | -58.2 | 166 | 0 | 0 | 0 | 105.4 | A15 Y16 T436 W445 L755 T757 | A15-I763 WeakPolarHBondContact CA-O 3.49Å; Y16-I763 HydrophobicContact CD2-CB 4.19Å; Y16-I763 HydrophobicContact CD2-CD1 4.27Å; Y16-I763 HydrophobicContact CE1-CG2 4.47Å; Y16-I763 HydrophobicContact CE2-CB 3.97Å; Y16-I763 HydrophobicContact CE2-CD1 4.01Å; Y16-I763 HydrophobicContact CE2-CG2 3.84Å; Y16-I763 PolarHBondContact N-O 2.85Å; Y16-I763 PolarHBondContact O-N 3.28Å; T436-I763 HydrophobicContact CG2-CD1 3.87Å; T436-I763 HydrophobicContact CG2-CG1 4.39Å; W445-I763 HydrophobicContact CD2-CD1 4.46Å; W445-I763 HydrophobicContact CZ2-CD1 3.94Å; L755-I763 HydrophobicContact CD1-CG2 3.64Å; T757-I763 HydrophobicContact CG2-CG1 4.23Å; T757-I763 HydrophobicContact CG2-CG2 4.39Å |
| 764 | R | 89.9 | Confident | 86.5 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132 | -177.9 | -63.1 | -175.9 | -178 | -106.2 | -1.1 | 110.9 | A14 A15 E46 G699 S756 W766 | A14-R764 WeakPolarHBondContact O-CA 3.39Å; A15-R764 HydrophobicContact CB-CG 4.04Å; E46-R764 IonicContact OE1-CZ 3.02Å; E46-R764 IonicContact OE1-NH1 3.2Å; E46-R764 IonicContact OE1-NH2 3.75Å; E46-R764 PolarHBondContact OE1-NH2 3.36Å; E46-R764 IonicContact OE2-CZ 3.13Å; E46-R764 IonicContact OE2-NH1 3.56Å; E46-R764 PolarHBondContact OE2-NH1 3.27Å; E46-R764 IonicContact OE2-NH2 2.68Å; E46-R764 PolarHBondContact OE2-NH2 2.99Å; G699-R764 PolarHBondContact O-NE 3.32Å; G699-R764 PolarHBondContact O-NH2 3.47Å; S756-R764 PolarHBondContact N-O 3.05Å; S756-R764 PolarHBondContact O-N 2.8Å; S756-R764 PolarHBondContact OG-O 2.95Å; R764-W766 HydrophobicContact CB-CZ2 4.45Å |
| 765 | I | 90.3 | Very high | 86 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.1 | 173.1 | -56.5 | 178.2 | 0 | 0 | 0 | 108.3 | K13 A14 Y16 V434 R447 L753 I754 L755 E767 | K13-I765 PolarHBondContact N-O 2.93Å; A14-I765 PolarHBondContact O-N 2.86Å; Y16-I765 HydrophobicContact CE1-CD1 4.08Å; Y16-I765 HydrophobicContact CE1-CG1 4.41Å; V434-I765 HydrophobicContact CG2-CD1 4.18Å; R447-I765 HydrophobicContact CB-CD1 4.25Å; R447-I765 HydrophobicContact CG-CD1 3.81Å; L753-I765 HydrophobicContact CD2-CG2 3.86Å; I754-I765 WeakPolarHBondContact O-CA 3.44Å; L755-I765 HydrophobicContact CD1-CG1 3.85Å; I765-E767 HydrophobicContact CG2-CG 4.27Å |
| 766 | W | 89.7 | Confident | 85.5 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.2 | 174.6 | -47.6 | 85.8 | 0 | 0 | 0 | 108.7 | Y10 N11 P12 F697 I754 S756 R764 | Y10-W766 HydrophobicContact CD1-CB 3.91Å; N11-W766 WeakPolarHBondContact O-CA 3.2Å; P12-W766 HydrophobicContact CB-CD2 4.4Å; P12-W766 HydrophobicContact CB-CE3 3.77Å; P12-W766 HydrophobicContact CB-CH2 4.03Å; P12-W766 HydrophobicContact CB-CZ3 3.58Å; P12-W766 HydrophobicContact CG-CE3 4.25Å; P12-W766 HydrophobicContact CG-CH2 4.36Å; P12-W766 HydrophobicContact CG-CZ3 3.75Å; F697-W766 HydrophobicContact CB-CD2 4.37Å; F697-W766 HydrophobicContact CB-CE3 4.21Å; F697-W766 HydrophobicContact CB-CH2 3.78Å; F697-W766 HydrophobicContact CB-CZ2 3.93Å; F697-W766 HydrophobicContact CB-CZ3 3.91Å; F697-W766 HydrophobicContact CD1-CE3 4.23Å; F697-W766 HydrophobicContact CD1-CZ3 4.4Å; F697-W766 HydrophobicContact CG-CD2 4.34Å; F697-W766 HydrophobicContact CG-CE3 4.21Å; F697-W766 HydrophobicContact CG-CZ3 4.35Å; I754-W766 HydrophobicContact CB-CB 4.12Å; I754-W766 HydrophobicContact CB-CG 4.48Å; I754-W766 PolarHBondContact N-O 2.78Å; I754-W766 PolarHBondContact O-N 2.68Å; S756-W766 PolarHBondContact OG-NE1 3.26Å; R764-W766 HydrophobicContact CB-CZ2 4.45Å |
| 767 | E | 85.8 | Confident | 85 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 145.8 | 174.7 | -67.4 | -169.4 | -178 | 0 | 0 | 108.6 | Y10 N11 K13 R447 L753 I765 | Y10-E767 CarbonylContact C-O 3.6Å; Y10-E767 WeakPolarHBondContact CA-O 3.32Å; N11-E767 PolarHBondContact N-O 2.99Å; N11-E767 PolarHBondContact O-N 3.04Å; K13-E767 HydrophobicContact CB-CG 4.21Å; K13-E767 HydrophobicContact CD-CG 3.97Å; K13-E767 WeakPolarHBondContact CD-OE1 3.46Å; K13-E767 WeakPolarHBondContact CD-OE2 3.36Å; K13-E767 WeakPolarHBondContact CE-OE1 3.44Å; K13-E767 WeakPolarHBondContact CE-OE2 3.42Å; K13-E767 IonicContact NZ-OE1 3.2Å; K13-E767 PolarHBondContact NZ-OE1 2.83Å; K13-E767 IonicContact NZ-OE2 3.59Å; K13-E767 PolarHBondContact NZ-OE2 3.02Å; R447-E767 IonicContact CZ-OE1 3.2Å; R447-E767 VanDerWaalsContact CZ-OE1 3.24Å; R447-E767 IonicContact NE-OE1 3.71Å; R447-E767 PolarHBondContact NE-OE1 2.7Å; R447-E767 IonicContact NH2-OE1 3.42Å; R447-E767 PolarHBondContact NH2-OE1 3Å; R447-E767 IonicContact NH2-OE2 3.26Å; L753-E767 HydrophobicContact CD2-CG 3.74Å; L753-E767 HydrophobicContact CG-CG 4.43Å; I765-E767 HydrophobicContact CG2-CG 4.27Å |
| 768 | E | 83.2 | Confident | 84.4 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 135 | 170.1 | -68.9 | 157.4 | 172.9 | 0 | 0 | 110 | Q8 K9 Y10 G751 G752 | Q8-E768 HydrophobicContact CB-CB 4.21Å; Q8-E768 HydrophobicContact CB-CG 4.19Å; Q8-E768 PolarHBondContact OE1-OE2 3.19Å; K9-E768 CarbonylContact O-C 3.55Å; K9-E768 WeakPolarHBondContact O-CA 2.95Å; Y10-E768 HydrophobicContact CD1-CG 4Å; Y10-E768 HydrophobicContact CD2-CG 3.78Å; Y10-E768 HydrophobicContact CE1-CG 3.64Å; Y10-E768 HydrophobicContact CE2-CG 3.35Å; Y10-E768 WeakPolarHBondContact CE2-OE1 3.24Å; Y10-E768 HydrophobicContact CG-CG 4.07Å; Y10-E768 PolarHBondContact OH-OE1 2.97Å; G751-E768 VanDerWaalsContact CA-CD 3.43Å; G751-E768 WeakPolarHBondContact CA-OE1 3.44Å; G751-E768 WeakPolarHBondContact CA-OE2 3.48Å; G752-E768 PolarHBondContact N-OE1 2.99Å; G752-E768 PolarHBondContact N-OE2 3.43Å; G752-E768 VanDerWaalsContact N-OE2 3.08Å |
| 769 | A | 79.9 | Confident | 83.9 | Confident | 20 Ų | 20 | 53.3 Ų | 53.3 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 160.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | K9 N11 E771 | K9-A769 PolarHBondContact O-N 3.2Å; N11-A769 HydrophobicContact CB-CB 4.47Å; N11-A769 VanDerWaalsContact ND2-CB 3.34Å; N11-A769 WeakPolarHBondContact ND2-CB 3.42Å; A769-E771 HydrophobicContact CB-CB 4.4Å; A769-E771 PolarHBondContact O-N 3.18Å |
| 770 | D | 76.4 | Confident | 83.6 | Confident | 165 Ų | 165 | 51.7 Ų | 51.7 | 88% | 0.882 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -12.8 | 172.9 | -60 | -26.8 | 0 | 0 | 0 | 112.2 | L772 | D770-L772 PolarHBondContact O-N 2.72Å |
| 771 | E | 81.2 | Confident | 83.4 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 124 | 174.1 | -68.9 | -179.3 | -177.2 | 0 | 0 | 110.8 | K9 A769 | K9-E771 HydrophobicContact CB-CB 4.37Å; K9-E771 VanDerWaalsContact CB-O 3.32Å; K9-E771 WeakPolarHBondContact CB-O 3.36Å; K9-E771 HydrophobicContact CD-CB 4.31Å; K9-E771 PolarHBondContact N-O 3.48Å; K9-E771 IonicContact NZ-OE2 2.96Å; K9-E771 PolarHBondContact NZ-OE2 2.79Å; A769-E771 HydrophobicContact CB-CB 4.4Å; A769-E771 PolarHBondContact O-N 3.18Å |
| 772 | L | 81.5 | Confident | 83 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 58% | 0.581 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.4 | 171.8 | -63.4 | 176 | 0 | 0 | 0 | 110.2 | Y7 Q8 D770 | Y7-L772 CarbonylContact O-C 3.56Å; Y7-L772 WeakPolarHBondContact O-CA 3.45Å; Q8-L772 HydrophobicContact CG-CD2 4.42Å; D770-L772 PolarHBondContact O-N 2.72Å |
| 773 | L | 79.9 | Confident | 82.7 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.6 | 172 | -165.2 | 82.5 | 0 | 0 | 0 | 109.3 | T6 Y7 K9 I694 T695 L775 E778 | T6-L773 WeakPolarHBondContact CA-O 3.36Å; Y7-L773 PolarHBondContact N-O 3.12Å; Y7-L773 WeakPolarHBondContact O-CB 3.4Å; Y7-L773 PolarHBondContact O-N 3.28Å; K9-L773 HydrophobicContact CB-CB 4.41Å; K9-L773 HydrophobicContact CB-CD1 4.37Å; K9-L773 HydrophobicContact CD-CD1 4.47Å; K9-L773 HydrophobicContact CG-CD1 4.32Å; I694-L773 HydrophobicContact CG2-CD2 3.73Å; T695-L773 HydrophobicContact CG2-CD1 4.2Å; T695-L773 HydrophobicContact CG2-CD2 3.14Å; T695-L773 HydrophobicContact CG2-CG 4.25Å; L773-L775 HydrophobicContact CD2-CD2 3.69Å; L773-L775 HydrophobicContact CG-CD2 4.49Å; L773-E778 HydrophobicContact CD1-CG 3.83Å; L773-E778 WeakPolarHBondContact CD1-OE1 3.42Å; L773-E778 WeakPolarHBondContact CD2-OE2 3.43Å; L773-E778 HydrophobicContact CG-CG 4.2Å |
| 774 | I | 84.7 | Confident | 82.1 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.2 | 172.9 | -60.6 | 168 | 0 | 0 | 0 | 106.9 | T6 E776 E777 E778 | T6-I774 HydrophobicContact CG2-CG1 4.27Å; I774-E776 HydrophobicContact CG2-CB 4.42Å; I774-E776 PolarHBondContact O-N 3.48Å; I774-E777 HydrophobicContact CB-CB 4.13Å; I774-E777 HydrophobicContact CB-CG 3.94Å; I774-E777 WeakPolarHBondContact CD1-OE1 3.19Å; I774-E777 HydrophobicContact CG2-CB 4.26Å; I774-E777 HydrophobicContact CG2-CG 3.77Å; I774-E777 WeakPolarHBondContact O-CB 3.46Å; I774-E777 PolarHBondContact O-N 3.25Å; I774-E778 PolarHBondContact O-N 2.73Å; I774-E778 VanDerWaalsContact O-N 3.09Å |
| 775 | L | 80.8 | Confident | 81.1 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.8 | -36.2 | -174.6 | -64.5 | -175.3 | 0 | 0 | 0 | 112.9 | Y7 I694 L773 E777 E778 E779 | Y7-L775 HydrophobicContact CD2-CD1 3.93Å; Y7-L775 HydrophobicContact CD2-CD2 4.22Å; Y7-L775 HydrophobicContact CD2-CG 3.87Å; Y7-L775 HydrophobicContact CE2-CD1 3.44Å; Y7-L775 VanDerWaalsContact CE2-CD1 3.44Å; Y7-L775 HydrophobicContact CE2-CG 3.9Å; I694-L775 HydrophobicContact CB-CD2 4.39Å; I694-L775 HydrophobicContact CG2-CD2 3.86Å; I694-L775 WeakPolarHBondContact O-CD2 3.36Å; L773-L775 HydrophobicContact CD2-CD2 3.69Å; L773-L775 HydrophobicContact CG-CD2 4.49Å; L775-E777 VanDerWaalsContact C-N 3.27Å; L775-E777 PolarHBondContact O-N 2.85Å; L775-E778 PolarHBondContact O-N 3.44Å; L775-E779 WeakPolarHBondContact O-CB 3.2Å; L775-E779 WeakPolarHBondContact O-CG 3.3Å; L775-E779 PolarHBondContact O-N 2.68Å |
| 776 | E | 81.7 | Confident | 80.4 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -32.1 | 178.7 | -60.5 | -174.9 | 162.7 | 0 | 0 | 112 | I774 Q780 | I774-E776 HydrophobicContact CG2-CB 4.42Å; I774-E776 PolarHBondContact O-N 3.48Å; E776-Q780 WeakPolarHBondContact O-CB 3.4Å; E776-Q780 PolarHBondContact O-N 3Å; E776-Q780 VanDerWaalsContact O-N 3.16Å |
| 777 | E | 82.4 | Confident | 79.6 | Confident | 114 Ų | 114 | 80.1 Ų | 80.1 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.6 | -40.6 | 175.6 | -67.3 | 179.2 | 177.6 | 0 | 0 | 111.1 | I774 L775 Q780 I781 | I774-E777 HydrophobicContact CB-CB 4.13Å; I774-E777 HydrophobicContact CB-CG 3.94Å; I774-E777 WeakPolarHBondContact CD1-OE1 3.19Å; I774-E777 HydrophobicContact CG2-CB 4.26Å; I774-E777 HydrophobicContact CG2-CG 3.77Å; I774-E777 WeakPolarHBondContact O-CB 3.46Å; I774-E777 PolarHBondContact O-N 3.25Å; L775-E777 VanDerWaalsContact C-N 3.27Å; L775-E777 PolarHBondContact O-N 2.85Å; E777-Q780 WeakPolarHBondContact O-CB 3.36Å; E777-Q780 PolarHBondContact O-N 3.36Å; E777-Q780 VanDerWaalsContact O-N 3.17Å; E777-I781 VanDerWaalsContact O-CG1 3.25Å; E777-I781 WeakPolarHBondContact O-CG1 3.45Å; E777-I781 PolarHBondContact O-N 2.82Å |
| 778 | E | 78.9 | Confident | 78.6 | Confident | 75 Ų | 75 | 82 Ų | 82 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 175 | -70.7 | -157.3 | 132.6 | 0 | 0 | 112.6 | L773 I774 L775 Q780 I781 A782 | L773-E778 HydrophobicContact CD1-CG 3.83Å; L773-E778 WeakPolarHBondContact CD1-OE1 3.42Å; L773-E778 WeakPolarHBondContact CD2-OE2 3.43Å; L773-E778 HydrophobicContact CG-CG 4.2Å; I774-E778 PolarHBondContact O-N 2.73Å; I774-E778 VanDerWaalsContact O-N 3.09Å; L775-E778 PolarHBondContact O-N 3.44Å; E778-Q780 VanDerWaalsContact C-N 3.25Å; E778-Q780 PolarHBondContact O-N 3.36Å; E778-I781 PolarHBondContact O-N 2.81Å; E778-A782 WeakPolarHBondContact O-CB 3.48Å; E778-A782 PolarHBondContact O-N 2.9Å |
| 779 | E | 78.9 | Confident | 77.8 | Confident | 115 Ų | 115 | 86.1 Ų | 86.1 | 54% | 0.537 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -32.4 | 173.9 | -74.3 | 178.9 | -175.9 | 0 | 0 | 112 | L775 R783 | L775-E779 WeakPolarHBondContact O-CB 3.2Å; L775-E779 WeakPolarHBondContact O-CG 3.3Å; L775-E779 PolarHBondContact O-N 2.68Å; E779-R783 WeakPolarHBondContact O-CG 3.48Å; E779-R783 PolarHBondContact O-N 2.91Å; E779-R783 PolarHBondContact O-NE 3.45Å |
| 780 | Q | 81.2 | Confident | 77.4 | Confident | 75 Ų | 75 | 90.7 Ų | 90.7 | 35% | 0.35 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.2 | -46.8 | 174.3 | -178.4 | 63.1 | 29.3 | 0 | 0 | 111 | E776 E777 E778 A782 R783 E784 | E776-Q780 WeakPolarHBondContact O-CB 3.4Å; E776-Q780 PolarHBondContact O-N 3Å; E776-Q780 VanDerWaalsContact O-N 3.16Å; E777-Q780 WeakPolarHBondContact O-CB 3.36Å; E777-Q780 PolarHBondContact O-N 3.36Å; E777-Q780 VanDerWaalsContact O-N 3.17Å; E778-Q780 VanDerWaalsContact C-N 3.25Å; E778-Q780 PolarHBondContact O-N 3.36Å; Q780-A782 VanDerWaalsContact C-N 3.3Å; Q780-A782 PolarHBondContact O-N 3.28Å; Q780-R783 PolarHBondContact O-N 3.16Å; Q780-R783 VanDerWaalsContact OE1-NH1 3.08Å; Q780-E784 WeakPolarHBondContact CG-OE1 3.36Å; Q780-E784 PolarHBondContact NE2-OE1 3.28Å; Q780-E784 WeakPolarHBondContact O-CG 3.46Å; Q780-E784 PolarHBondContact O-N 3.18Å |
| 781 | I | 79.9 | Confident | 76.7 | Confident | 82 Ų | 82 | 87.5 Ų | 87.5 | 42% | 0.421 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 176.3 | -68.3 | 163 | 0 | 0 | 0 | 110.8 | E777 E778 E784 Q785 | E777-I781 VanDerWaalsContact O-CG1 3.25Å; E777-I781 WeakPolarHBondContact O-CG1 3.45Å; E777-I781 PolarHBondContact O-N 2.82Å; E778-I781 PolarHBondContact O-N 2.81Å; I781-E784 PolarHBondContact O-N 3.29Å; I781-Q785 HydrophobicContact CG2-CG 4.44Å; I781-Q785 WeakPolarHBondContact O-CB 3.33Å; I781-Q785 VanDerWaalsContact O-CG 3.27Å; I781-Q785 WeakPolarHBondContact O-CG 3.5Å; I781-Q785 PolarHBondContact O-N 2.72Å |
| 782 | A | 79.3 | Confident | 75.6 | Confident | 42 Ų | 42 | 84.4 Ų | 84.4 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E778 Q780 Q785 E786 | E778-A782 WeakPolarHBondContact O-CB 3.48Å; E778-A782 PolarHBondContact O-N 2.9Å; Q780-A782 VanDerWaalsContact C-N 3.3Å; Q780-A782 PolarHBondContact O-N 3.28Å; A782-Q785 PolarHBondContact O-N 3.18Å; A782-E786 WeakPolarHBondContact O-CG 3.46Å; A782-E786 PolarHBondContact O-N 2.73Å |
| 783 | R | 81.3 | Confident | 74.5 | Confident | 121 Ų | 121 | 86.7 Ų | 86.7 | 46% | 0.457 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.3 | -78.9 | -176.4 | -75.6 | 133.6 | -1.4 | 111.8 | E779 Q780 Q785 E786 E787 | E779-R783 WeakPolarHBondContact O-CG 3.48Å; E779-R783 PolarHBondContact O-N 2.91Å; E779-R783 PolarHBondContact O-NE 3.45Å; Q780-R783 PolarHBondContact O-N 3.16Å; Q780-R783 VanDerWaalsContact OE1-NH1 3.08Å; R783-Q785 VanDerWaalsContact C-N 3.34Å; R783-Q785 PolarHBondContact O-N 3.35Å; R783-E786 PolarHBondContact O-N 3.48Å; R783-E787 WeakPolarHBondContact O-CB 3.26Å; R783-E787 WeakPolarHBondContact O-CG 3.27Å; R783-E787 PolarHBondContact O-N 3.33Å |
| 784 | E | 76.7 | Confident | 73.4 | Confident | 84 Ų | 84 | 89.5 Ų | 89.5 | 39% | 0.393 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 175.1 | -72.7 | 168.7 | -171.4 | 0 | 0 | 111.5 | Q780 I781 E787 E788 | Q780-E784 WeakPolarHBondContact CG-OE1 3.36Å; Q780-E784 PolarHBondContact NE2-OE1 3.28Å; Q780-E784 WeakPolarHBondContact O-CG 3.46Å; Q780-E784 PolarHBondContact O-N 3.18Å; I781-E784 PolarHBondContact O-N 3.29Å; E784-E787 PolarHBondContact O-N 3.22Å; E784-E788 WeakPolarHBondContact O-CB 3.4Å; E784-E788 VanDerWaalsContact O-CG 3.31Å; E784-E788 WeakPolarHBondContact O-CG 3.43Å; E784-E788 PolarHBondContact O-N 3.21Å |
| 785 | Q | 70.2 | Confident | 71.8 | Confident | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.514 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.1 | -75.5 | 174.2 | 9.3 | 0 | 0 | 112.9 | I781 A782 R783 E788 E789 | I781-Q785 HydrophobicContact CG2-CG 4.44Å; I781-Q785 WeakPolarHBondContact O-CB 3.33Å; I781-Q785 VanDerWaalsContact O-CG 3.27Å; I781-Q785 WeakPolarHBondContact O-CG 3.5Å; I781-Q785 PolarHBondContact O-N 2.72Å; A782-Q785 PolarHBondContact O-N 3.18Å; R783-Q785 VanDerWaalsContact C-N 3.34Å; R783-Q785 PolarHBondContact O-N 3.35Å; Q785-E788 PolarHBondContact O-N 3.16Å; Q785-E789 WeakPolarHBondContact O-CB 3.46Å; Q785-E789 WeakPolarHBondContact O-CG 3.1Å; Q785-E789 PolarHBondContact O-N 3.23Å |
| 786 | E | 74.5 | Confident | 70.4 | Confident | 125 Ų | 125 | 95.9 Ų | 95.9 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.6 | -45 | 175.8 | -74.9 | 178 | -180 | 0 | 0 | 111.1 | A782 R783 E788 E789 E790 | A782-E786 WeakPolarHBondContact O-CG 3.46Å; A782-E786 PolarHBondContact O-N 2.73Å; R783-E786 PolarHBondContact O-N 3.48Å; E786-E788 VanDerWaalsContact C-N 3.33Å; E786-E788 PolarHBondContact O-N 3.09Å; E786-E789 PolarHBondContact O-N 3.38Å; E786-E790 WeakPolarHBondContact O-CG 3.12Å; E786-E790 PolarHBondContact O-N 3.31Å |
| 787 | E | 72.4 | Confident | 69 | Low | 118 Ų | 118 | 97.2 Ų | 97.2 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 173.5 | -73 | 177.2 | -171.6 | 0 | 0 | 111.2 | R783 E784 E790 L791 | R783-E787 WeakPolarHBondContact O-CB 3.26Å; R783-E787 WeakPolarHBondContact O-CG 3.27Å; R783-E787 PolarHBondContact O-N 3.33Å; E784-E787 PolarHBondContact O-N 3.22Å; E787-E790 PolarHBondContact O-N 2.88Å; E787-L791 WeakPolarHBondContact O-CB 3.4Å; E787-L791 VanDerWaalsContact O-CG 3.26Å; E787-L791 WeakPolarHBondContact O-CG 3.39Å; E787-L791 PolarHBondContact O-N 2.74Å |
| 788 | E | 66 | Low | 67.7 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 36% | 0.355 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 173.9 | -81.8 | -178.4 | -157.1 | 0 | 0 | 112.1 | E784 Q785 E786 E790 L791 V792 | E784-E788 WeakPolarHBondContact O-CB 3.4Å; E784-E788 VanDerWaalsContact O-CG 3.31Å; E784-E788 WeakPolarHBondContact O-CG 3.43Å; E784-E788 PolarHBondContact O-N 3.21Å; Q785-E788 PolarHBondContact O-N 3.16Å; E786-E788 VanDerWaalsContact C-N 3.33Å; E786-E788 PolarHBondContact O-N 3.09Å; E788-E790 PolarHBondContact O-N 3.42Å; E788-L791 CarbonylContact O-C 3.47Å; E788-L791 PolarHBondContact O-N 3.31Å; E788-V792 WeakPolarHBondContact O-CB 3.36Å; E788-V792 WeakPolarHBondContact O-CG2 2.99Å; E788-V792 PolarHBondContact O-N 2.65Å |
| 789 | E | 66.6 | Low | 66.1 | Low | 124 Ų | 124 | 96.6 Ų | 96.6 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.4 | -34.7 | 176.4 | -78 | -173.3 | 179.8 | 0 | 0 | 111.8 | Q785 E786 R793 | Q785-E789 WeakPolarHBondContact O-CB 3.46Å; Q785-E789 WeakPolarHBondContact O-CG 3.1Å; Q785-E789 PolarHBondContact O-N 3.23Å; E786-E789 PolarHBondContact O-N 3.38Å; E789-R793 WeakPolarHBondContact O-CB 3.44Å; E789-R793 WeakPolarHBondContact O-CG 3.49Å; E789-R793 PolarHBondContact O-N 3.04Å; E789-R793 VanDerWaalsContact O-N 3.08Å; E789-R793 PolarHBondContact O-NE 3.32Å |
| 790 | E | 69.9 | Low | 64.9 | Low | 116 Ų | 116 | 94.6 Ų | 94.6 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -45 | 171.7 | -73.7 | -170.6 | 169.1 | 0 | 0 | 111.8 | E786 E787 E788 V792 R793 S794 | E786-E790 WeakPolarHBondContact O-CG 3.12Å; E786-E790 PolarHBondContact O-N 3.31Å; E787-E790 PolarHBondContact O-N 2.88Å; E788-E790 PolarHBondContact O-N 3.42Å; E790-V792 PolarHBondContact O-N 2.86Å; E790-R793 WeakPolarHBondContact O-CA 3.39Å; E790-R793 WeakPolarHBondContact O-CB 3.42Å; E790-R793 PolarHBondContact O-N 2.9Å; E790-R793 VanDerWaalsContact O-N 3.09Å; E790-S794 PolarHBondContact O-N 3.35Å; E790-S794 PolarHBondContact O-OG 3.29Å |
| 791 | L | 61.9 | Low | 63.7 | Low | 99 Ų | 99 | 93 Ų | 93 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -26.5 | 176.3 | -74.5 | 174.9 | 0 | 0 | 0 | 113.2 | E787 E788 S794 | E787-L791 WeakPolarHBondContact O-CB 3.4Å; E787-L791 VanDerWaalsContact O-CG 3.26Å; E787-L791 WeakPolarHBondContact O-CG 3.39Å; E787-L791 PolarHBondContact O-N 2.74Å; E788-L791 CarbonylContact O-C 3.47Å; E788-L791 PolarHBondContact O-N 3.31Å; L791-S794 VanDerWaalsContact CA-OG 3.31Å; L791-S794 WeakPolarHBondContact CA-OG 3.39Å; L791-S794 PolarHBondContact O-OG 2.97Å |
| 792 | V | 59.1 | Low | 62.3 | Low | 38 Ų | 38 | 96.6 Ų | 96.6 | 23% | 0.23 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -85.6 | -19.7 | 176.8 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | R113 E788 E790 | R113-V792 PolarHBondContact NH2-O 2.8Å; E788-V792 WeakPolarHBondContact O-CB 3.36Å; E788-V792 WeakPolarHBondContact O-CG2 2.99Å; E788-V792 PolarHBondContact O-N 2.65Å; E790-V792 PolarHBondContact O-N 2.86Å |
| 793 | R | 57.5 | Low | 60.9 | Low | 160 Ų | 160 | 98.9 Ų | 98.9 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -77.3 | -39.4 | 166 | -86.1 | 179.5 | -90.1 | 161.9 | -9.2 | 111.4 | E789 E790 E795 | E789-R793 WeakPolarHBondContact O-CB 3.44Å; E789-R793 WeakPolarHBondContact O-CG 3.49Å; E789-R793 PolarHBondContact O-N 3.04Å; E789-R793 VanDerWaalsContact O-N 3.08Å; E789-R793 PolarHBondContact O-NE 3.32Å; E790-R793 WeakPolarHBondContact O-CA 3.39Å; E790-R793 WeakPolarHBondContact O-CB 3.42Å; E790-R793 PolarHBondContact O-N 2.9Å; E790-R793 VanDerWaalsContact O-N 3.09Å; R793-E795 PolarHBondContact O-N 3.26Å |
| 794 | S | 57.2 | Low | 59.5 | Low | 66 Ų | 66 | 95.5 Ų | 95.5 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -73.2 | 109.6 | 170.1 | 62.3 | 0 | 0 | 0 | 0 | 109.6 | E790 L791 A796 | E790-S794 PolarHBondContact O-N 3.35Å; E790-S794 PolarHBondContact O-OG 3.29Å; L791-S794 VanDerWaalsContact CA-OG 3.31Å; L791-S794 WeakPolarHBondContact CA-OG 3.39Å; L791-S794 PolarHBondContact O-OG 2.97Å; S794-A796 PolarHBondContact O-N 3.41Å |
| 795 | E | 52.3 | Low | 58.2 | Low | 142 Ų | 142 | 97.4 Ų | 97.4 | 66% | 0.664 | 53% | 0.53 | S | S | * | . | trans | -56 | 113.3 | -176.9 | -64.3 | -178.1 | 154.8 | 0 | 0 | 111.7 | R793 V797 | R793-E795 PolarHBondContact O-N 3.26Å; E795-V797 HydrophobicContact CB-CG2 4.29Å; E795-V797 PolarHBondContact O-N 2.7Å | ||
| 796 | A | 49.6 | Very low | 57.2 | Low | 51 Ų | 51 | 96.1 Ų | 96.1 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | trans | -74.8 | 85 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | S794 I798 | S794-A796 PolarHBondContact O-N 3.41Å; A796-I798 PolarHBondContact O-N 2.82Å | ||
| 797 | V | 53.8 | Low | 56.4 | Low | 109 Ų | 109 | 93.3 Ų | 93.3 | 66% | 0.661 | 53% | 0.532 | S | S | * | . | trans | -60.9 | 107.4 | 165.9 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | E795 P799 | E795-V797 HydrophobicContact CB-CG2 4.29Å; E795-V797 PolarHBondContact O-N 2.7Å; V797-P799 WeakPolarHBondContact O-CD 3.31Å | ||
| 798 | I | 53.8 | Low | 55.8 | Low | 57 Ų | 57 | 93.5 Ų | 93.5 | 29% | 0.292 | 53% | 0.534 | S | S | . | . | trans | -65.1 | 116.5 | 174.6 | -58 | 171.6 | 0 | 0 | 0 | 106.9 | A796 G800 A801 | A796-I798 PolarHBondContact O-N 2.82Å; I798-G800 PolarHBondContact O-N 3.07Å; I798-G800 VanDerWaalsContact O-N 3.1Å; I798-A801 HydrophobicContact CB-CB 4.05Å; I798-A801 HydrophobicContact CG2-CB 4.39Å; I798-A801 PolarHBondContact O-N 3.29Å; I798-A801 VanDerWaalsContact O-N 3.09Å | ||
| 799 | P | 46.5 | Very low | 55.6 | Low | 119 Ų | 119 | 92 Ų | 92 | 77% | 0.773 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 118.5 | -178.6 | -23.6 | 34.4 | 0 | 0 | 0 | 110.9 | V797 | V797-P799 WeakPolarHBondContact O-CD 3.31Š|
| 800 | G | 54 | Low | 55.4 | Low | 73 Ų | 73 | 87 Ų | 87 | 75% | 0.753 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.4 | -9.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I798 | I798-G800 PolarHBondContact O-N 3.07Å; I798-G800 VanDerWaalsContact O-N 3.1Å |
| 801 | A | 55.5 | Low | 55.1 | Low | 41 Ų | 41 | 85.4 Ų | 85.4 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 129.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I798 | I798-A801 HydrophobicContact CB-CB 4.05Å; I798-A801 HydrophobicContact CG2-CB 4.39Å; I798-A801 PolarHBondContact O-N 3.29Å; I798-A801 VanDerWaalsContact O-N 3.09Å |
| 802 | M | 50.2 | Low | 55 | Low | 157 Ų | 157 | 80.9 Ų | 80.9 | 77% | 0.773 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 130.6 | 165.4 | -72.6 | -67.2 | -73.5 | 0 | 0 | 108.1 | S804 | M802-S804 PolarHBondContact O-N 3.34Š|
| 803 | P | 50.7 | Low | 54.9 | Low | 90 Ų | 90 | 80.4 Ų | 80.4 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 121.7 | 179.2 | 19.7 | -29.2 | 0 | 0 | 0 | 108.8 | E805 A806 | P803-E805 PolarHBondContact O-N 3.22Å; P803-A806 PolarHBondContact O-N 2.93Å; P803-A806 VanDerWaalsContact O-N 3.1Å |
| 804 | S | 51.4 | Low | 54.9 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 36% | 0.357 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -2.9 | -175.9 | 68.4 | 0 | 0 | 0 | 0 | 114.8 | M802 | M802-S804 PolarHBondContact O-N 3.34Š|
| 805 | E | 49.6 | Very low | 55.1 | Low | 123 Ų | 123 | 76.3 Ų | 76.3 | 58% | 0.575 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -23.7 | 179 | -54.8 | -159 | 150.9 | 0 | 0 | 112.9 | P803 R814 | P803-E805 PolarHBondContact O-N 3.22Å; E805-R814 IonicContact OE1-NH2 3.59Å; E805-R814 PolarHBondContact OE1-NH2 2.85Å |
| 806 | A | 49.3 | Very low | 55.5 | Low | 84 Ų | 84 | 71 Ų | 71 | 69% | 0.694 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -88.7 | -19.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P803 | P803-A806 PolarHBondContact O-N 2.93Å; P803-A806 VanDerWaalsContact O-N 3.1Å |
| 807 | S | 57.1 | Low | 56.1 | Low | 65 Ų | 65 | 69 Ų | 69 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | trans | -101.8 | 128.9 | -178.7 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | V809 | S807-V809 VanDerWaalsContact CB-O 3.28Å; S807-V809 WeakPolarHBondContact CB-O 3.16Å; S807-V809 PolarHBondContact O-N 2.89Å; S807-V809 VanDerWaalsContact O-N 3.14Å; S807-V809 PolarHBondContact OG-N 3.31Å; S807-V809 PolarHBondContact OG-O 2.87Å | ||
| 808 | E | 59.5 | Low | 56.7 | Low | 123 Ų | 123 | 68.3 Ų | 68.3 | 58% | 0.575 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -58.3 | -24 | 172.9 | -64.6 | -174 | 165.7 | 0 | 0 | 112 | M147 K148 | M147-E808 CarbonylContact C-O 3.58Å; M147-E808 WeakPolarHBondContact CA-O 3.45Å; K148-E808 PolarHBondContact N-O 2.86Å |
| 809 | V | 61.7 | Low | 57.4 | Low | 44 Ų | 44 | 66.1 Ų | 66.1 | 27% | 0.267 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 133.4 | -178.2 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | R146 Q183 S807 | R146-V809 WeakPolarHBondContact O-CA 3.49Å; Q183-V809 HydrophobicContact CB-CG1 4.08Å; Q183-V809 HydrophobicContact CB-CG2 3.71Å; Q183-V809 WeakPolarHBondContact O-CG2 3.46Å; S807-V809 VanDerWaalsContact CB-O 3.28Å; S807-V809 WeakPolarHBondContact CB-O 3.16Å; S807-V809 PolarHBondContact O-N 2.89Å; S807-V809 VanDerWaalsContact O-N 3.14Å; S807-V809 PolarHBondContact OG-N 3.31Å; S807-V809 PolarHBondContact OG-O 2.87Å |
| 810 | G | 62.6 | Low | 58.6 | Low | 20 Ų | 20 | 63.9 Ų | 63.9 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 164.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R146 | R146-G810 PolarHBondContact N-O 2.98Å; R146-G810 PolarHBondContact O-N 2.92Å; R146-G810 VanDerWaalsContact O-N 3.14Å |
| 811 | P | 63.5 | Low | 59.4 | Low | 81 Ų | 81 | 63.9 Ų | 63.9 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 150.8 | 168.9 | 28 | -33.4 | 0 | 0 | 0 | 110.1 | ||
| 812 | L | 59.3 | Low | 60.4 | Low | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -88.5 | 116.8 | -164.6 | -172.1 | 143.1 | 0 | 0 | 0 | 112.5 | R110 N135 F137 A883 H887 | R110-L812 VanDerWaalsContact O-CD2 3.27Å; R110-L812 WeakPolarHBondContact O-CD2 3.37Å; N135-L812 HydrophobicContact CB-CD1 3.61Å; N135-L812 VanDerWaalsContact OD1-CD1 3.27Å; N135-L812 WeakPolarHBondContact OD1-CD1 3.17Å; F137-L812 HydrophobicContact CD1-CD1 3.93Å; F137-L812 HydrophobicContact CD1-CD2 4.46Å; F137-L812 HydrophobicContact CE1-CD1 3.26Å; F137-L812 HydrophobicContact CE1-CD2 3.36Å; F137-L812 HydrophobicContact CE1-CG 3.95Å; F137-L812 HydrophobicContact CE2-CD1 4.23Å; F137-L812 HydrophobicContact CZ-CD1 3.44Å; F137-L812 VanDerWaalsContact CZ-CD1 3.44Å; F137-L812 HydrophobicContact CZ-CD2 3.75Å; F137-L812 HydrophobicContact CZ-CG 4.22Å; L812-A883 HydrophobicContact CD2-CB 3.65Å; L812-H887 PolarHBondContact O-CE1 2.87Å |
| 813 | G | 57.4 | Low | 61.9 | Low | 28 Ų | 28 | 54.6 Ų | 54.6 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | trans | 128.1 | 168.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H887 | G813-H887 PolarHBondContact O-NE2 2.86Å; G813-H887 VanDerWaalsContact O-NE2 3.14Å | ||
| 814 | R | 59 | Low | 63.6 | Low | 106 Ų | 106 | 54.1 Ų | 54.1 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | trans | -114.6 | 149 | 159.4 | -68.8 | -178.7 | 175.8 | -166 | -4.9 | 105.8 | E805 T816 | E805-R814 IonicContact OE1-NH2 3.59Å; E805-R814 PolarHBondContact OE1-NH2 2.85Å; R814-T816 PolarHBondContact O-N 3.37Å | ||
| 815 | P | 59.7 | Low | 65.1 | Low | 33 Ų | 33 | 54.8 Ų | 54.8 | 21% | 0.214 | 31% | 0.31 | C | S | . | . | trans | -58.6 | 128.4 | 174.8 | 24.7 | -32.3 | 0 | 0 | 0 | 109.6 | ||||
| 816 | T | 60.6 | Low | 66.9 | Low | 32 Ų | 32 | 49 Ų | 49 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | trans | -105 | 161.8 | 175.4 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | R814 N818 T819 R820 | R814-T816 PolarHBondContact O-N 3.37Å; T816-N818 VanDerWaalsContact C-N 3.32Å; T816-N818 PolarHBondContact O-N 2.93Å; T816-T819 PolarHBondContact N-OG1 2.86Å; T816-T819 PolarHBondContact O-N 2.79Å; T816-T819 PolarHBondContact O-OG1 2.75Å; T816-T819 WeakPolarHBondContact OG1-CG2 3.21Å; T816-T819 PolarHBondContact OG1-OG1 2.86Å; T816-R820 PolarHBondContact O-N 2.9Å | ||
| 817 | G | 63.8 | Low | 68.9 | Low | 9 Ų | 9 | 46.1 Ų | 46.1 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -47.6 | -53.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | T819 R820 D821 | G817-T819 PolarHBondContact O-N 2.85Å; G817-R820 WeakPolarHBondContact O-CA 3.33Å; G817-R820 WeakPolarHBondContact O-CB 3.44Å; G817-R820 PolarHBondContact O-N 2.86Å; G817-D821 PolarHBondContact O-N 3.32Å |
| 818 | N | 65.3 | Low | 70.4 | Confident | 93 Ų | 93 | 48.2 Ų | 48.2 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.5 | -31.7 | 176.6 | -55.9 | 38.5 | 0 | 0 | 0 | 114.7 | T816 A822 | T816-N818 VanDerWaalsContact C-N 3.32Å; T816-N818 PolarHBondContact O-N 2.93Å; N818-A822 VanDerWaalsContact O-CB 3.23Å; N818-A822 WeakPolarHBondContact O-CB 3.39Å; N818-A822 PolarHBondContact O-N 2.87Å |
| 819 | T | 68.8 | Low | 71.8 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -78.1 | -26 | 178 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | T816 G817 A823 H887 | T816-T819 PolarHBondContact N-OG1 2.86Å; T816-T819 PolarHBondContact O-N 2.79Å; T816-T819 PolarHBondContact O-OG1 2.75Å; T816-T819 WeakPolarHBondContact OG1-CG2 3.21Å; T816-T819 PolarHBondContact OG1-OG1 2.86Å; G817-T819 PolarHBondContact O-N 2.85Å; T819-A823 WeakPolarHBondContact O-CB 3.49Å; T819-A823 PolarHBondContact O-N 2.86Å; T819-A823 VanDerWaalsContact O-N 3.15Å; T819-H887 HydrophobicContact CG2-CB 4.22Å |
| 820 | R | 71.8 | Confident | 73.2 | Confident | 72 Ų | 72 | 40.6 Ų | 40.6 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.9 | -47.5 | 170.8 | -67.9 | -178.1 | 171.8 | 142.8 | -3.9 | 109.9 | T816 G817 A822 A823 D824 | T816-R820 PolarHBondContact O-N 2.9Å; G817-R820 WeakPolarHBondContact O-CA 3.33Å; G817-R820 WeakPolarHBondContact O-CB 3.44Å; G817-R820 PolarHBondContact O-N 2.86Å; R820-A822 PolarHBondContact O-N 2.83Å; R820-A823 CarbonylContact O-C 3.55Å; R820-A823 WeakPolarHBondContact O-CA 3.29Å; R820-A823 WeakPolarHBondContact O-CB 3.35Å; R820-A823 PolarHBondContact O-N 2.88Å; R820-D824 PolarHBondContact O-N 3.01Å |
| 821 | D | 71.4 | Confident | 74.6 | Confident | 74 Ų | 74 | 42.7 Ų | 42.7 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.3 | -42.2 | 175.7 | -49.8 | -25.7 | 0 | 0 | 0 | 111 | G817 A823 D824 M825 | G817-D821 PolarHBondContact O-N 3.32Å; D821-A823 VanDerWaalsContact C-N 3.31Å; D821-A823 PolarHBondContact O-N 3.27Å; D821-D824 PolarHBondContact O-N 2.81Å; D821-M825 WeakPolarHBondContact O-CB 3.35Å; D821-M825 WeakPolarHBondContact O-CG 3.17Å; D821-M825 PolarHBondContact O-N 2.89Å |
| 822 | A | 76.2 | Confident | 75.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N818 R820 F826 L871 L878 A888 | N818-A822 VanDerWaalsContact O-CB 3.23Å; N818-A822 WeakPolarHBondContact O-CB 3.39Å; N818-A822 PolarHBondContact O-N 2.87Å; R820-A822 PolarHBondContact O-N 2.83Å; A822-F826 WeakPolarHBondContact O-CB 3.4Å; A822-F826 PolarHBondContact O-N 3.39Å; A822-F826 VanDerWaalsContact O-N 3.1Å; A822-L871 HydrophobicContact CB-CD2 3.68Å; A822-L878 WeakPolarHBondContact CB-O 3.36Å; A822-A888 HydrophobicContact CB-CB 4.44Å |
| 823 | A | 82.1 | Confident | 77.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.9 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T819 R820 D821 F826 M827 A888 A891 | T819-A823 WeakPolarHBondContact O-CB 3.49Å; T819-A823 PolarHBondContact O-N 2.86Å; T819-A823 VanDerWaalsContact O-N 3.15Å; R820-A823 CarbonylContact O-C 3.55Å; R820-A823 WeakPolarHBondContact O-CA 3.29Å; R820-A823 WeakPolarHBondContact O-CB 3.35Å; R820-A823 PolarHBondContact O-N 2.88Å; D821-A823 VanDerWaalsContact C-N 3.31Å; D821-A823 PolarHBondContact O-N 3.27Å; A823-F826 CarbonylContact O-C 3.54Å; A823-F826 WeakPolarHBondContact O-CA 3.2Å; A823-F826 WeakPolarHBondContact O-CB 3.44Å; A823-F826 PolarHBondContact O-N 3.19Å; A823-M827 WeakPolarHBondContact O-CG 3.38Å; A823-M827 PolarHBondContact O-N 2.87Å; A823-A888 HydrophobicContact CB-CB 4.39Å; A823-A888 WeakPolarHBondContact CB-O 3.46Å; A823-A891 HydrophobicContact CB-CB 3.79Å |
| 824 | D | 85.1 | Confident | 78.9 | Confident | 80 Ų | 80 | 40.8 Ų | 40.8 | 43% | 0.428 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 177.8 | -68.2 | -18.5 | 0 | 0 | 0 | 110.6 | R820 D821 F826 M827 E828 | R820-D824 PolarHBondContact O-N 3.01Å; D821-D824 PolarHBondContact O-N 2.81Å; D824-F826 PolarHBondContact O-N 3.08Å; D824-M827 HydrophobicContact CB-CE 4.42Å; D824-M827 PolarHBondContact O-N 2.95Å; D824-M827 VanDerWaalsContact O-N 3.12Å; D824-M827 WeakPolarHBondContact OD1-CE 3.41Å; D824-E828 WeakPolarHBondContact O-CG 3.37Å; D824-E828 PolarHBondContact O-N 3.1Å |
| 825 | M | 83.4 | Confident | 80.3 | Confident | 66 Ų | 66 | 40.5 Ų | 40.5 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.3 | -28.9 | 173.2 | -69.1 | 179.9 | 82.5 | 0 | 0 | 113.1 | D821 A829 L878 | D821-M825 WeakPolarHBondContact O-CB 3.35Å; D821-M825 WeakPolarHBondContact O-CG 3.17Å; D821-M825 PolarHBondContact O-N 2.89Å; M825-A829 WeakPolarHBondContact O-CB 3.44Å; M825-A829 PolarHBondContact O-N 3.41Å; M825-A829 VanDerWaalsContact O-N 3.11Å; M825-L878 HydrophobicContact CB-CD2 3.56Å; M825-L878 HydrophobicContact CE-CD1 4.09Å; M825-L878 HydrophobicContact CE-CD2 3.67Å; M825-L878 HydrophobicContact CE-CG 3.57Å; M825-L878 HydrophobicContact CG-CD2 4.22Å; M825-L878 HydrophobicContact SD-CB 4.44Å; M825-L878 HydrophobicContact SD-CD2 3.61Å; M825-L878 HydrophobicContact SD-CG 3.61Å |
| 826 | F | 88.2 | Confident | 81.5 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.4 | -37.3 | 174.8 | -174.3 | -99.6 | 0 | 0 | 0 | 112 | A822 A823 D824 A829 M830 L864 L868 L871 L892 L900 | A822-F826 WeakPolarHBondContact O-CB 3.4Å; A822-F826 PolarHBondContact O-N 3.39Å; A822-F826 VanDerWaalsContact O-N 3.1Å; A823-F826 CarbonylContact O-C 3.54Å; A823-F826 WeakPolarHBondContact O-CA 3.2Å; A823-F826 WeakPolarHBondContact O-CB 3.44Å; A823-F826 PolarHBondContact O-N 3.19Å; D824-F826 PolarHBondContact O-N 3.08Å; F826-A829 WeakPolarHBondContact O-CB 3.47Å; F826-A829 PolarHBondContact O-N 3.25Å; F826-M830 HydrophobicContact CD1-CG 4.33Å; F826-M830 HydrophobicContact CD1-SD 4.17Å; F826-M830 HydrophobicContact CE1-CG 3.98Å; F826-M830 HydrophobicContact CE1-SD 3.65Å; F826-M830 HydrophobicContact CZ-CG 4.34Å; F826-M830 HydrophobicContact CZ-SD 4.39Å; F826-M830 WeakPolarHBondContact O-CG 3.32Å; F826-M830 PolarHBondContact O-N 3.11Å; F826-L864 HydrophobicContact CE2-CD1 4.05Å; F826-L864 HydrophobicContact CZ-CD1 4.22Å; F826-L868 HydrophobicContact CE2-CB 3.99Å; F826-L868 HydrophobicContact CE2-CD1 3.93Å; F826-L868 HydrophobicContact CZ-CD1 3.87Å; F826-L871 HydrophobicContact CB-CD1 4.35Å; F826-L871 HydrophobicContact CD2-CD1 4Å; F826-L871 HydrophobicContact CG-CD1 4.1Å; F826-L892 HydrophobicContact CD1-CD1 4.15Å; F826-L892 HydrophobicContact CD1-CD2 3.8Å; F826-L892 HydrophobicContact CE1-CD1 4.13Å; F826-L900 HydrophobicContact CE1-CD1 4.24Å; F826-L900 HydrophobicContact CE1-CD2 3.94Å; F826-L900 HydrophobicContact CZ-CD1 4.02Å; F826-L900 HydrophobicContact CZ-CD2 4.36Å |
| 827 | M | 89.5 | Confident | 82.8 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 172 | -70.5 | -174.1 | -66.3 | 0 | 0 | 110.8 | A823 D824 A829 M830 D831 L892 T893 | A823-M827 WeakPolarHBondContact O-CG 3.38Å; A823-M827 PolarHBondContact O-N 2.87Å; D824-M827 HydrophobicContact CB-CE 4.42Å; D824-M827 PolarHBondContact O-N 2.95Å; D824-M827 VanDerWaalsContact O-N 3.12Å; D824-M827 WeakPolarHBondContact OD1-CE 3.41Å; M827-A829 VanDerWaalsContact C-N 3.28Å; M827-A829 PolarHBondContact O-N 3.37Å; M827-M830 WeakPolarHBondContact O-CA 3.43Å; M827-M830 WeakPolarHBondContact O-CB 3.49Å; M827-M830 PolarHBondContact O-N 3.46Å; M827-D831 PolarHBondContact O-N 3.06Å; M827-L892 HydrophobicContact CG-CD2 3.55Å; M827-L892 HydrophobicContact SD-CD2 4.2Å; M827-T893 HydrophobicContact SD-CG2 3.91Å |
| 828 | E | 89.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 42.6 Ų | 42.6 | 51% | 0.505 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.5 | -43 | 171.5 | -71.6 | -180 | 179.5 | 0 | 0 | 111.8 | D824 M830 D831 I832 | D824-E828 WeakPolarHBondContact O-CG 3.37Å; D824-E828 PolarHBondContact O-N 3.1Å; E828-M830 VanDerWaalsContact C-N 3.28Å; E828-M830 PolarHBondContact O-N 3.49Å; E828-D831 PolarHBondContact O-N 3.44Å; E828-I832 WeakPolarHBondContact O-CB 3.4Å; E828-I832 VanDerWaalsContact O-CD1 3.31Å; E828-I832 WeakPolarHBondContact O-CD1 3.37Å; E828-I832 WeakPolarHBondContact O-CG1 3.36Å; E828-I832 PolarHBondContact O-N 2.79Å |
| 829 | A | 89.6 | Confident | 84.8 | Confident | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -31.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | M825 F826 M827 Y833 F863 L864 | M825-A829 WeakPolarHBondContact O-CB 3.44Å; M825-A829 PolarHBondContact O-N 3.41Å; M825-A829 VanDerWaalsContact O-N 3.11Å; F826-A829 WeakPolarHBondContact O-CB 3.47Å; F826-A829 PolarHBondContact O-N 3.25Å; M827-A829 VanDerWaalsContact C-N 3.28Å; M827-A829 PolarHBondContact O-N 3.37Å; A829-Y833 VanDerWaalsContact O-CB 3.28Å; A829-Y833 WeakPolarHBondContact O-CB 3.34Å; A829-Y833 PolarHBondContact O-N 2.86Å; A829-Y833 VanDerWaalsContact O-N 3.09Å; A829-F863 HydrophobicContact CB-CE1 3.68Å; A829-F863 HydrophobicContact CB-CZ 3.98Å; A829-L864 HydrophobicContact CB-CD1 4.23Å |
| 830 | M | 91 | Very high | 85.4 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70 | -44.1 | 173.6 | -75.8 | -171 | 57.6 | 0 | 0 | 112 | F826 M827 E828 Y833 E834 L864 H896 R899 L900 | F826-M830 HydrophobicContact CD1-CG 4.33Å; F826-M830 HydrophobicContact CD1-SD 4.17Å; F826-M830 HydrophobicContact CE1-CG 3.98Å; F826-M830 HydrophobicContact CE1-SD 3.65Å; F826-M830 HydrophobicContact CZ-CG 4.34Å; F826-M830 HydrophobicContact CZ-SD 4.39Å; F826-M830 WeakPolarHBondContact O-CG 3.32Å; F826-M830 PolarHBondContact O-N 3.11Å; M827-M830 WeakPolarHBondContact O-CA 3.43Å; M827-M830 WeakPolarHBondContact O-CB 3.49Å; M827-M830 PolarHBondContact O-N 3.46Å; E828-M830 VanDerWaalsContact C-N 3.28Å; E828-M830 PolarHBondContact O-N 3.49Å; M830-Y833 WeakPolarHBondContact O-CB 3.11Å; M830-Y833 PolarHBondContact O-N 3.04Å; M830-E834 PolarHBondContact O-N 3.33Å; M830-L864 HydrophobicContact CB-CD1 4.42Å; M830-L864 HydrophobicContact CG-CD1 3.69Å; M830-L864 HydrophobicContact CG-CD2 4.48Å; M830-H896 HydrophobicContact CE-CB 4.23Å; M830-H896 VanDerWaalsContact CE-O 3.31Å; M830-H896 WeakPolarHBondContact CE-O 3.07Å; M830-H896 HydrophobicContact SD-CB 4.19Å; M830-R899 HydrophobicContact CE-CB 3.88Å; M830-L900 HydrophobicContact CE-CB 3.83Å; M830-L900 HydrophobicContact CE-CD1 4.48Å; M830-L900 HydrophobicContact SD-CB 4.14Å; M830-L900 HydrophobicContact SD-CD1 4.18Å; M830-L900 HydrophobicContact SD-CD2 4.45Å; M830-L900 HydrophobicContact SD-CG 4.49Å |
| 831 | D | 91.9 | Very high | 86 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 178.2 | -71.6 | -28.3 | 0 | 0 | 0 | 111.1 | M827 E828 Y833 E834 E835 H896 R899 | M827-D831 PolarHBondContact O-N 3.06Å; E828-D831 PolarHBondContact O-N 3.44Å; D831-Y833 VanDerWaalsContact C-N 3.26Å; D831-Y833 PolarHBondContact O-N 2.97Å; D831-E834 PolarHBondContact O-N 2.98Å; D831-E834 VanDerWaalsContact O-N 3.14Å; D831-E835 PolarHBondContact O-N 2.65Å; D831-H896 IonicContact OD1-NE2 2.67Å; D831-H896 IonicContact OD2-NE2 3.83Å; D831-R899 IonicContact OD1-NH1 3.4Å; D831-R899 PolarHBondContact OD1-NH1 3.44Å |
| 832 | I | 90 | Very high | 86.5 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 173.7 | -66.4 | 160 | 0 | 0 | 0 | 111.1 | E828 E836 H849 L851 M852 F863 | E828-I832 WeakPolarHBondContact O-CB 3.4Å; E828-I832 VanDerWaalsContact O-CD1 3.31Å; E828-I832 WeakPolarHBondContact O-CD1 3.37Å; E828-I832 WeakPolarHBondContact O-CG1 3.36Å; E828-I832 PolarHBondContact O-N 2.79Å; I832-E836 WeakPolarHBondContact O-CB 3.49Å; I832-E836 PolarHBondContact O-N 3.29Å; I832-H849 HydrophobicContact CG2-CB 3.7Å; I832-L851 HydrophobicContact CD1-CB 4.38Å; I832-L851 HydrophobicContact CD1-CD1 3.46Å; I832-L851 VanDerWaalsContact CD1-CD1 3.46Å; I832-L851 HydrophobicContact CD1-CG 4.5Å; I832-M852 HydrophobicContact CG2-CG 4.38Å; I832-M852 HydrophobicContact CG2-SD 4.49Å; I832-F863 HydrophobicContact CB-CE1 4.33Å; I832-F863 HydrophobicContact CG2-CE1 4.18Å |
| 833 | Y | 90.6 | Very high | 86.5 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.5 | 162.7 | -93 | 0 | 0 | 0 | 111.8 | A829 M830 D831 I837 P860 E861 L864 K903 | A829-Y833 VanDerWaalsContact O-CB 3.28Å; A829-Y833 WeakPolarHBondContact O-CB 3.34Å; A829-Y833 PolarHBondContact O-N 2.86Å; A829-Y833 VanDerWaalsContact O-N 3.09Å; M830-Y833 WeakPolarHBondContact O-CB 3.11Å; M830-Y833 PolarHBondContact O-N 3.04Å; D831-Y833 VanDerWaalsContact C-N 3.26Å; D831-Y833 PolarHBondContact O-N 2.97Å; Y833-I837 HydrophobicContact CD1-CD1 4.26Å; Y833-I837 HydrophobicContact CD2-CD1 4.18Å; Y833-I837 HydrophobicContact CE1-CD1 3.57Å; Y833-I837 HydrophobicContact CE2-CD1 3.47Å; Y833-I837 VanDerWaalsContact CE2-CD1 3.47Å; Y833-I837 HydrophobicContact CE2-CG1 4.32Å; Y833-I837 WeakPolarHBondContact O-CG1 3.19Å; Y833-I837 PolarHBondContact O-N 3.18Å; Y833-I837 VanDerWaalsContact O-N 3.12Å; Y833-I837 WeakPolarHBondContact OH-CD1 3.31Å; Y833-P860 HydrophobicContact CD2-CB 3.81Å; Y833-P860 WeakPolarHBondContact CD2-O 3.33Å; Y833-P860 HydrophobicContact CE2-CB 4.29Å; Y833-E861 HydrophobicContact CE2-CB 4.49Å; Y833-E861 HydrophobicContact CE2-CG 3.85Å; Y833-L864 HydrophobicContact CD1-CD2 4.19Å; Y833-L864 HydrophobicContact CD2-CB 4.23Å; Y833-L864 HydrophobicContact CD2-CD2 4.31Å; Y833-L864 HydrophobicContact CG-CB 4.5Å; Y833-L864 HydrophobicContact CG-CD2 4.08Å; Y833-K903 HydrophobicContact CE1-CD 4.17Å; Y833-K903 HydrophobicContact CE1-CG 4.31Å; Y833-K903 WeakPolarHBondContact OH-CD 3.45Å; Y833-K903 VanDerWaalsContact OH-CE 3.31Å; Y833-K903 WeakPolarHBondContact OH-CE 3.43Å; Y833-K903 PolarHBondContact OH-NZ 2.95Å |
| 834 | E | 89.2 | Confident | 85.8 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 178.6 | -69.3 | -172.8 | 157.6 | 0 | 0 | 111.7 | M830 D831 E836 I837 V838 R899 | M830-E834 PolarHBondContact O-N 3.33Å; D831-E834 PolarHBondContact O-N 2.98Å; D831-E834 VanDerWaalsContact O-N 3.14Å; E834-E836 VanDerWaalsContact C-N 3.31Å; E834-E836 PolarHBondContact O-N 3.23Å; E834-I837 PolarHBondContact O-N 2.69Å; E834-V838 WeakPolarHBondContact O-CG2 3.37Å; E834-V838 PolarHBondContact O-N 3.3Å; E834-R899 VanDerWaalsContact OE1-CD 3.25Å; E834-R899 WeakPolarHBondContact OE1-CD 3.41Å; E834-R899 WeakPolarHBondContact OE1-CG 3.37Å; E834-R899 IonicContact OE2-CZ 3.46Å; E834-R899 IonicContact OE2-NE 2.69Å; E834-R899 IonicContact OE2-NH1 3.59Å; E834-R899 PolarHBondContact OE2-NH1 3.18Å |
| 835 | E | 87.7 | Confident | 84.6 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 174.2 | -75.7 | -167.3 | -171.4 | 0 | 0 | 112.2 | D831 I837 V838 K839 | D831-E835 PolarHBondContact O-N 2.65Å; E835-I837 VanDerWaalsContact C-N 3.33Å; E835-I837 PolarHBondContact O-N 2.96Å; E835-V838 PolarHBondContact O-N 3.45Å; E835-K839 WeakPolarHBondContact O-CB 3.3Å; E835-K839 VanDerWaalsContact O-CG 3.27Å; E835-K839 WeakPolarHBondContact O-CG 3.44Å; E835-K839 PolarHBondContact O-N 3.11Å; E835-K839 IonicContact OE2-NZ 3.4Å; E835-K839 PolarHBondContact OE2-NZ 2.8Å |
| 836 | E | 86 | Confident | 83.7 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 2% | 0.023 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.2 | -34.8 | -178.1 | -170 | 65.5 | -167.7 | 0 | 0 | 111.5 | I832 E834 R840 M852 P860 | I832-E836 WeakPolarHBondContact O-CB 3.49Å; I832-E836 PolarHBondContact O-N 3.29Å; E834-E836 VanDerWaalsContact C-N 3.31Å; E834-E836 PolarHBondContact O-N 3.23Å; E836-R840 WeakPolarHBondContact O-CB 3.25Å; E836-R840 VanDerWaalsContact O-CG 3.27Å; E836-R840 WeakPolarHBondContact O-CG 3.41Å; E836-R840 PolarHBondContact O-N 2.9Å; E836-R840 IonicContact OE1-NE 3.87Å; E836-R840 IonicContact OE1-NH2 3.84Å; E836-M852 HydrophobicContact CB-SD 4.41Å; E836-M852 HydrophobicContact CG-SD 3.99Å; E836-P860 HydrophobicContact CB-CB 4.23Å; E836-P860 HydrophobicContact CG-CB 4.1Å; E836-P860 HydrophobicContact CG-CG 4.32Å |
| 837 | I | 86.8 | Confident | 82.8 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 19% | 0.185 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 172.7 | -74.4 | -179.2 | 0 | 0 | 0 | 111.2 | Y833 E834 E835 R840 K841 P860 | Y833-I837 HydrophobicContact CD1-CD1 4.26Å; Y833-I837 HydrophobicContact CD2-CD1 4.18Å; Y833-I837 HydrophobicContact CE1-CD1 3.57Å; Y833-I837 HydrophobicContact CE2-CD1 3.47Å; Y833-I837 VanDerWaalsContact CE2-CD1 3.47Å; Y833-I837 HydrophobicContact CE2-CG1 4.32Å; Y833-I837 WeakPolarHBondContact O-CG1 3.19Å; Y833-I837 PolarHBondContact O-N 3.18Å; Y833-I837 VanDerWaalsContact O-N 3.12Å; Y833-I837 WeakPolarHBondContact OH-CD1 3.31Å; E834-I837 PolarHBondContact O-N 2.69Å; E835-I837 VanDerWaalsContact C-N 3.33Å; E835-I837 PolarHBondContact O-N 2.96Å; I837-R840 PolarHBondContact O-N 2.61Å; I837-K841 HydrophobicContact CG2-CD 4.29Å; I837-K841 WeakPolarHBondContact O-CG 3.47Å; I837-K841 PolarHBondContact O-N 3.22Å; I837-P860 HydrophobicContact CG1-CG 4.43Å |
| 838 | V | 87.3 | Confident | 82.1 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | E834 E835 R840 K841 N842 | E834-V838 WeakPolarHBondContact O-CG2 3.37Å; E834-V838 PolarHBondContact O-N 3.3Å; E835-V838 PolarHBondContact O-N 3.45Å; V838-R840 VanDerWaalsContact C-N 3.32Å; V838-R840 PolarHBondContact O-N 3.37Å; V838-K841 PolarHBondContact O-N 2.91Å; V838-N842 WeakPolarHBondContact O-CB 3.39Å; V838-N842 VanDerWaalsContact O-CG 3.28Å; V838-N842 PolarHBondContact O-N 2.77Å |
| 839 | K | 85.1 | Confident | 81.7 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 35% | 0.352 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 174.7 | -74.6 | 168.3 | -170.3 | 158.7 | 0 | 111.6 | E835 N842 G843 A844 | E835-K839 WeakPolarHBondContact O-CB 3.3Å; E835-K839 VanDerWaalsContact O-CG 3.27Å; E835-K839 WeakPolarHBondContact O-CG 3.44Å; E835-K839 PolarHBondContact O-N 3.11Å; E835-K839 IonicContact OE2-NZ 3.4Å; E835-K839 PolarHBondContact OE2-NZ 2.8Å; K839-N842 PolarHBondContact O-N 3.4Å; K839-G843 PolarHBondContact O-N 2.99Å; K839-A844 PolarHBondContact O-N 3.16Å |
| 840 | R | 81.8 | Confident | 81.5 | Confident | 107 Ų | 107 | 78.1 Ų | 78.1 | 40% | 0.404 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176 | -74.7 | 179.9 | -172.4 | -154.5 | -2.7 | 113.1 | E836 I837 V838 N842 G843 N858 P860 | E836-R840 WeakPolarHBondContact O-CB 3.25Å; E836-R840 VanDerWaalsContact O-CG 3.27Å; E836-R840 WeakPolarHBondContact O-CG 3.41Å; E836-R840 PolarHBondContact O-N 2.9Å; E836-R840 IonicContact OE1-NE 3.87Å; E836-R840 IonicContact OE1-NH2 3.84Å; I837-R840 PolarHBondContact O-N 2.61Å; V838-R840 VanDerWaalsContact C-N 3.32Å; V838-R840 PolarHBondContact O-N 3.37Å; R840-N842 VanDerWaalsContact C-N 3.34Å; R840-G843 PolarHBondContact O-N 3.31Å; R840-N858 PolarHBondContact NH2-O 2.89Å; R840-P860 VanDerWaalsContact NH1-CD 3.28Å |
| 841 | K | 82.4 | Confident | 81 | Confident | 167 Ų | 167 | 81.3 Ų | 81.3 | 73% | 0.726 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.1 | -36.4 | 174.9 | -76 | 178.6 | 178.8 | -177.4 | 0 | 112.2 | I837 V838 G843 | I837-K841 HydrophobicContact CG2-CD 4.29Å; I837-K841 WeakPolarHBondContact O-CG 3.47Å; I837-K841 PolarHBondContact O-N 3.22Å; V838-K841 PolarHBondContact O-N 2.91Å; K841-G843 PolarHBondContact O-N 3.11Å |
| 842 | N | 83.1 | Confident | 80.6 | Confident | 126 Ų | 126 | 78.3 Ų | 78.3 | 67% | 0.674 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.1 | -179.9 | -67.3 | -9.4 | 0 | 0 | 0 | 113.6 | V838 K839 R840 A844 | V838-N842 WeakPolarHBondContact O-CB 3.39Å; V838-N842 VanDerWaalsContact O-CG 3.28Å; V838-N842 PolarHBondContact O-N 2.77Å; K839-N842 PolarHBondContact O-N 3.4Å; R840-N842 VanDerWaalsContact C-N 3.34Å; N842-A844 PolarHBondContact O-N 3.44Å |
| 843 | G | 75.4 | Confident | 80.3 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 19.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K839 R840 K841 | K839-G843 PolarHBondContact O-N 2.99Å; R840-G843 PolarHBondContact O-N 3.31Å; K841-G843 PolarHBondContact O-N 3.11Å |
| 844 | A | 67 | Low | 79.7 | Confident | 55 Ų | 55 | 85.5 Ų | 85.5 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | trans | -67.1 | 142.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K839 N842 N846 | K839-A844 PolarHBondContact O-N 3.16Å; N842-A844 PolarHBondContact O-N 3.44Å; A844-N846 PolarHBondContact O-N 2.76Å | ||
| 845 | K | 61.9 | Low | 78.9 | Confident | 201 Ų | 201 | 85.9 Ų | 85.9 | 87% | 0.874 | 47% | 0.465 | S | S | * | . | trans | -55.7 | 132.9 | 177.5 | -76.8 | -179.4 | 177.1 | 177.4 | 0 | 110.6 | I847 | K845-I847 PolarHBondContact O-N 3.11Š| ||
| 846 | N | 63.4 | Low | 78.5 | Confident | 139 Ų | 139 | 83.9 Ų | 83.9 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | trans | -55.9 | 77.5 | -175.3 | -71.4 | -25.4 | 0 | 0 | 0 | 114.6 | A844 | A844-N846 PolarHBondContact O-N 2.76Š| ||
| 847 | I | 69 | Low | 78.1 | Confident | 149 Ų | 149 | 83.9 Ų | 83.9 | 76% | 0.764 | 47% | 0.472 | S | S | * | . | trans | -101.1 | 94.7 | 160.7 | -54.4 | 173.4 | 0 | 0 | 0 | 106.5 | K845 | K845-I847 PolarHBondContact O-N 3.11Š| ||
| 848 | T | 74.6 | Confident | 77.7 | Confident | 42 Ų | 42 | 87.9 Ų | 87.9 | 26% | 0.258 | 49% | 0.494 | S | S | . | . | trans | -66.6 | 142.3 | 177.9 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | V853 | T848-V853 VanDerWaalsContact OG1-CG2 3.28Å; T848-V853 WeakPolarHBondContact OG1-CG2 3.21Å | ||
| 849 | H | 82.4 | Confident | 77.4 | Confident | 50 Ų | 50 | 86.9 Ų | 86.9 | 23% | 0.231 | 49% | 0.49 | C | S | . | . | trans | -55.3 | 137.5 | 179.3 | -164 | -87.9 | 0 | 0 | 0 | 112.2 | I832 L851 M852 V853 | I832-H849 HydrophobicContact CG2-CB 3.7Å; H849-L851 VanDerWaalsContact C-N 3.26Å; H849-L851 PolarHBondContact ND1-N 3.05Å; H849-L851 PolarHBondContact O-N 2.7Å; H849-L851 VanDerWaalsContact O-N 3.17Å; H849-M852 HydrophobicContact CB-CG 4.21Å; H849-M852 HydrophobicContact CB-SD 4.41Å; H849-M852 WeakPolarHBondContact O-CA 3.37Å; H849-M852 WeakPolarHBondContact O-CB 3.35Å; H849-M852 PolarHBondContact O-N 2.72Å; H849-V853 PolarHBondContact O-N 3.49Å | ||
| 850 | P | 84.1 | Confident | 77.5 | Confident | 96 Ų | 96 | 83.3 Ų | 83.3 | 62% | 0.623 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -54.3 | -37.9 | -177.9 | -28.5 | 34.7 | 0 | 0 | 0 | 114.1 | M852 V853 A854 | P850-M852 VanDerWaalsContact C-N 3.3Å; P850-M852 PolarHBondContact O-N 3Å; P850-V853 WeakPolarHBondContact O-CB 3.5Å; P850-V853 PolarHBondContact O-N 2.92Å; P850-A854 PolarHBondContact O-N 3.24Å |
| 851 | L | 81.1 | Confident | 77.7 | Confident | 72 Ų | 72 | 80.5 Ų | 80.5 | 38% | 0.377 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.7 | -32.2 | 176.3 | -70.3 | 171 | 0 | 0 | 0 | 113.2 | I832 H849 R855 F863 | I832-L851 HydrophobicContact CD1-CB 4.38Å; I832-L851 HydrophobicContact CD1-CD1 3.46Å; I832-L851 VanDerWaalsContact CD1-CD1 3.46Å; I832-L851 HydrophobicContact CD1-CG 4.5Å; H849-L851 VanDerWaalsContact C-N 3.26Å; H849-L851 PolarHBondContact ND1-N 3.05Å; H849-L851 PolarHBondContact O-N 2.7Å; H849-L851 VanDerWaalsContact O-N 3.17Å; L851-R855 WeakPolarHBondContact O-CG 3.46Å; L851-R855 PolarHBondContact O-N 3.35Å; L851-R855 VanDerWaalsContact O-N 3.12Å; L851-F863 HydrophobicContact CB-CE2 4.41Å; L851-F863 HydrophobicContact CB-CZ 4.38Å |
| 852 | M | 83.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 174.2 | -71 | -175.2 | 59.8 | 0 | 0 | 111.4 | I832 E836 H849 P850 R855 G856 T857 P860 F863 | I832-M852 HydrophobicContact CG2-CG 4.38Å; I832-M852 HydrophobicContact CG2-SD 4.49Å; E836-M852 HydrophobicContact CB-SD 4.41Å; E836-M852 HydrophobicContact CG-SD 3.99Å; H849-M852 HydrophobicContact CB-CG 4.21Å; H849-M852 HydrophobicContact CB-SD 4.41Å; H849-M852 WeakPolarHBondContact O-CA 3.37Å; H849-M852 WeakPolarHBondContact O-CB 3.35Å; H849-M852 PolarHBondContact O-N 2.72Å; P850-M852 VanDerWaalsContact C-N 3.3Å; P850-M852 PolarHBondContact O-N 3Å; M852-R855 PolarHBondContact O-N 3.2Å; M852-G856 PolarHBondContact O-N 3.19Å; M852-T857 PolarHBondContact O-N 3.37Å; M852-T857 PolarHBondContact O-OG1 3.47Å; M852-P860 HydrophobicContact CE-CB 4.15Å; M852-F863 HydrophobicContact CB-CD2 4.3Å; M852-F863 HydrophobicContact CE-CB 4.23Å; M852-F863 HydrophobicContact CG-CB 4.14Å; M852-F863 HydrophobicContact CG-CD1 4.03Å; M852-F863 HydrophobicContact CG-CD2 3.74Å; M852-F863 HydrophobicContact CG-CE1 4.35Å; M852-F863 HydrophobicContact CG-CE2 4.08Å; M852-F863 HydrophobicContact CG-CG 3.7Å; M852-F863 HydrophobicContact CG-CZ 4.38Å |
| 853 | V | 83.1 | Confident | 78.2 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | T848 H849 P850 R855 G856 | T848-V853 VanDerWaalsContact OG1-CG2 3.28Å; T848-V853 WeakPolarHBondContact OG1-CG2 3.21Å; H849-V853 PolarHBondContact O-N 3.49Å; P850-V853 WeakPolarHBondContact O-CB 3.5Å; P850-V853 PolarHBondContact O-N 2.92Å; V853-R855 VanDerWaalsContact C-N 3.28Å; V853-R855 PolarHBondContact O-N 2.65Å; V853-G856 PolarHBondContact O-N 3.12Å |
| 854 | A | 79.9 | Confident | 78.9 | Confident | 85 Ų | 85 | 71 Ų | 71 | 70% | 0.702 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.4 | -34.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | P850 G856 | P850-A854 PolarHBondContact O-N 3.24Å; A854-G856 VanDerWaalsContact C-N 3.29Å; A854-G856 PolarHBondContact O-N 3.28Å |
| 855 | R | 72.3 | Confident | 79.9 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 24% | 0.238 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 4.3 | 175.3 | -65.6 | -164.1 | -175.9 | 173.4 | 3.1 | 114.3 | L851 M852 V853 T857 F863 K866 S867 | L851-R855 WeakPolarHBondContact O-CG 3.46Å; L851-R855 PolarHBondContact O-N 3.35Å; L851-R855 VanDerWaalsContact O-N 3.12Å; M852-R855 PolarHBondContact O-N 3.2Å; V853-R855 VanDerWaalsContact C-N 3.28Å; V853-R855 PolarHBondContact O-N 2.65Å; R855-T857 VanDerWaalsContact C-N 3.33Å; R855-T857 PolarHBondContact O-N 3.31Å; R855-F863 HydrophobicContact CB-CD2 4.32Å; R855-F863 HydrophobicContact CB-CE2 4.47Å; R855-F863 HydrophobicContact CG-CE2 4.27Å; R855-K866 PolarHBondContact O-NZ 3.2Å; R855-K866 VanDerWaalsContact O-NZ 3.13Å; R855-S867 VanDerWaalsContact NH1-CB 3.32Å; R855-S867 PolarHBondContact NH1-OG 2.91Å |
| 856 | G | 78.4 | Confident | 81 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 38.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M852 V853 A854 | M852-G856 PolarHBondContact O-N 3.19Å; V853-G856 PolarHBondContact O-N 3.12Å; A854-G856 VanDerWaalsContact C-N 3.29Å; A854-G856 PolarHBondContact O-N 3.28Å |
| 857 | T | 77.5 | Confident | 82 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | trans | -125.9 | 119.2 | -179.7 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | M852 R855 R862 F863 K866 | M852-T857 PolarHBondContact O-N 3.37Å; M852-T857 PolarHBondContact O-OG1 3.47Å; R855-T857 VanDerWaalsContact C-N 3.33Å; R855-T857 PolarHBondContact O-N 3.31Å; T857-R862 HydrophobicContact CG2-CB 4.43Å; T857-F863 WeakPolarHBondContact OG1-CB 3.33Å; T857-K866 HydrophobicContact CG2-CD 3.52Å; T857-K866 HydrophobicContact CG2-CG 4.31Å | ||
| 858 | N | 77.8 | Confident | 82.8 | Confident | 119 Ų | 119 | 50.8 Ų | 50.8 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -88.9 | -11.3 | 175 | -61 | -5.8 | 0 | 0 | 0 | 112.7 | R840 | R840-N858 PolarHBondContact NH2-O 2.89Š|
| 859 | C | 81.6 | Confident | 83.2 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -108.1 | 126.8 | -179.1 | -62 | 0 | 0 | 0 | 0 | 110.4 | E861 R862 F863 | C859-E861 VanDerWaalsContact C-N 3.34Å; C859-E861 PolarHBondContact O-N 2.94Å; C859-R862 HydrophobicContact CB-CB 4.16Å; C859-R862 HydrophobicContact CB-CG 4.26Å; C859-R862 PolarHBondContact O-N 2.9Å; C859-F863 PolarHBondContact O-N 3.27Å |
| 860 | P | 86.4 | Confident | 83 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -36.7 | -175.3 | 25 | -34.1 | 0 | 0 | 0 | 112.1 | Y833 E836 I837 R840 M852 R862 F863 L864 | Y833-P860 HydrophobicContact CD2-CB 3.81Å; Y833-P860 WeakPolarHBondContact CD2-O 3.33Å; Y833-P860 HydrophobicContact CE2-CB 4.29Å; E836-P860 HydrophobicContact CB-CB 4.23Å; E836-P860 HydrophobicContact CG-CB 4.1Å; E836-P860 HydrophobicContact CG-CG 4.32Å; I837-P860 HydrophobicContact CG1-CG 4.43Å; R840-P860 VanDerWaalsContact NH1-CD 3.28Å; M852-P860 HydrophobicContact CE-CB 4.15Å; P860-R862 PolarHBondContact O-N 3.2Å; P860-F863 WeakPolarHBondContact O-CB 3.29Å; P860-F863 PolarHBondContact O-N 3.28Å; P860-L864 PolarHBondContact O-N 3.42Å |
| 861 | E | 87.4 | Confident | 82.6 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.1 | -64.8 | 176.2 | 159.9 | 0 | 0 | 112.6 | Y833 C859 F863 L864 L865 R910 W912 | Y833-E861 HydrophobicContact CE2-CB 4.49Å; Y833-E861 HydrophobicContact CE2-CG 3.85Å; C859-E861 VanDerWaalsContact C-N 3.34Å; C859-E861 PolarHBondContact O-N 2.94Å; E861-F863 VanDerWaalsContact C-N 3.32Å; E861-L864 PolarHBondContact O-N 3.39Å; E861-L865 WeakPolarHBondContact O-CB 3.47Å; E861-L865 PolarHBondContact O-N 2.87Å; E861-R910 IonicContact OE1-CZ 3.76Å; E861-R910 IonicContact OE1-NH1 2.95Å; E861-R910 PolarHBondContact OE1-NH1 3.45Å; E861-R910 IonicContact OE1-NH2 3.24Å; E861-R910 PolarHBondContact OE1-NH2 2.86Å; E861-R910 IonicContact OE2-CZ 3.03Å; E861-R910 IonicContact OE2-NH1 3.4Å; E861-R910 PolarHBondContact OE2-NH1 3.27Å; E861-R910 IonicContact OE2-NH2 2.75Å; E861-W912 HydrophobicContact CB-CH2 4.4Å; E861-W912 HydrophobicContact CB-CZ3 4.12Å |
| 862 | R | 86.5 | Confident | 82.1 | Confident | 157 Ų | 157 | 47.1 Ų | 47.1 | 59% | 0.592 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -69.9 | -32.8 | 175.2 | -73.7 | -171.6 | 175 | 175.2 | -1.2 | 111.6 | T857 C859 P860 K866 | T857-R862 HydrophobicContact CG2-CB 4.43Å; C859-R862 HydrophobicContact CB-CB 4.16Å; C859-R862 HydrophobicContact CB-CG 4.26Å; C859-R862 PolarHBondContact O-N 2.9Å; P860-R862 PolarHBondContact O-N 3.2Å; R862-K866 WeakPolarHBondContact O-CB 3.39Å; R862-K866 WeakPolarHBondContact O-CG 3.5Å; R862-K866 PolarHBondContact O-N 2.98Å |
| 863 | F | 88.7 | Confident | 81 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 172.5 | 170.1 | -103.7 | 0 | 0 | 0 | 110.8 | A829 I832 L851 M852 R855 T857 C859 P860 E861 L865 K866 S867 | A829-F863 HydrophobicContact CB-CE1 3.68Å; A829-F863 HydrophobicContact CB-CZ 3.98Å; I832-F863 HydrophobicContact CB-CE1 4.33Å; I832-F863 HydrophobicContact CG2-CE1 4.18Å; L851-F863 HydrophobicContact CB-CE2 4.41Å; L851-F863 HydrophobicContact CB-CZ 4.38Å; M852-F863 HydrophobicContact CB-CD2 4.3Å; M852-F863 HydrophobicContact CE-CB 4.23Å; M852-F863 HydrophobicContact CG-CB 4.14Å; M852-F863 HydrophobicContact CG-CD1 4.03Å; M852-F863 HydrophobicContact CG-CD2 3.74Å; M852-F863 HydrophobicContact CG-CE1 4.35Å; M852-F863 HydrophobicContact CG-CE2 4.08Å; M852-F863 HydrophobicContact CG-CG 3.7Å; M852-F863 HydrophobicContact CG-CZ 4.38Å; R855-F863 HydrophobicContact CB-CD2 4.32Å; R855-F863 HydrophobicContact CB-CE2 4.47Å; R855-F863 HydrophobicContact CG-CE2 4.27Å; T857-F863 WeakPolarHBondContact OG1-CB 3.33Å; C859-F863 PolarHBondContact O-N 3.27Å; P860-F863 WeakPolarHBondContact O-CB 3.29Å; P860-F863 PolarHBondContact O-N 3.28Å; E861-F863 VanDerWaalsContact C-N 3.32Å; F863-L865 PolarHBondContact O-N 3.42Å; F863-K866 PolarHBondContact O-N 2.61Å; F863-S867 PolarHBondContact O-N 3.06Å; F863-S867 PolarHBondContact O-OG 2.75Å |
| 864 | L | 90 | Very high | 79.5 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 178.7 | -166.3 | 67.3 | 0 | 0 | 0 | 111.8 | F826 A829 M830 Y833 P860 E861 S867 L868 W907 | F826-L864 HydrophobicContact CE2-CD1 4.05Å; F826-L864 HydrophobicContact CZ-CD1 4.22Å; A829-L864 HydrophobicContact CB-CD1 4.23Å; M830-L864 HydrophobicContact CB-CD1 4.42Å; M830-L864 HydrophobicContact CG-CD1 3.69Å; M830-L864 HydrophobicContact CG-CD2 4.48Å; Y833-L864 HydrophobicContact CD1-CD2 4.19Å; Y833-L864 HydrophobicContact CD2-CB 4.23Å; Y833-L864 HydrophobicContact CD2-CD2 4.31Å; Y833-L864 HydrophobicContact CG-CB 4.5Å; Y833-L864 HydrophobicContact CG-CD2 4.08Å; P860-L864 PolarHBondContact O-N 3.42Å; E861-L864 PolarHBondContact O-N 3.39Å; L864-S867 WeakPolarHBondContact O-CB 3.46Å; L864-S867 PolarHBondContact O-N 2.91Å; L864-L868 PolarHBondContact O-N 2.72Å; L864-W907 HydrophobicContact CB-CH2 3.98Å; L864-W907 HydrophobicContact CB-CZ2 4.03Å; L864-W907 HydrophobicContact CD2-CH2 3.66Å; L864-W907 HydrophobicContact CD2-CZ2 3.8Å; L864-W907 HydrophobicContact CG-CH2 3.71Å; L864-W907 HydrophobicContact CG-CZ2 4.11Å |
| 865 | L | 87.9 | Confident | 78.1 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.6 | -178.1 | 66.8 | 0 | 0 | 0 | 112 | E861 F863 S867 L868 M869 W907 W912 | E861-L865 WeakPolarHBondContact O-CB 3.47Å; E861-L865 PolarHBondContact O-N 2.87Å; F863-L865 PolarHBondContact O-N 3.42Å; L865-S867 PolarHBondContact O-N 3.34Å; L865-L868 WeakPolarHBondContact O-CB 3.5Å; L865-L868 PolarHBondContact O-N 2.8Å; L865-L868 VanDerWaalsContact O-N 3.15Å; L865-M869 HydrophobicContact CG-SD 4.25Å; L865-M869 VanDerWaalsContact O-CG 3.31Å; L865-M869 WeakPolarHBondContact O-CG 3.43Å; L865-M869 PolarHBondContact O-N 3.06Å; L865-W907 HydrophobicContact CB-CH2 4.5Å; L865-W907 HydrophobicContact CD1-CE3 4.16Å; L865-W907 HydrophobicContact CD1-CZ3 4.26Å; L865-W912 HydrophobicContact CD2-CB 4.36Å; L865-W912 HydrophobicContact CD2-CD2 4.43Å; L865-W912 HydrophobicContact CD2-CE3 3.98Å |
| 866 | K | 84.7 | Confident | 76.9 | Confident | 97 Ų | 97 | 47.2 Ų | 47.2 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -35.8 | 174.8 | -79 | -164.7 | -169.8 | 180 | 0 | 111.7 | R855 T857 R862 F863 M869 A870 | R855-K866 PolarHBondContact O-NZ 3.2Å; R855-K866 VanDerWaalsContact O-NZ 3.13Å; T857-K866 HydrophobicContact CG2-CD 3.52Å; T857-K866 HydrophobicContact CG2-CG 4.31Å; R862-K866 WeakPolarHBondContact O-CB 3.39Å; R862-K866 WeakPolarHBondContact O-CG 3.5Å; R862-K866 PolarHBondContact O-N 2.98Å; F863-K866 PolarHBondContact O-N 2.61Å; K866-M869 PolarHBondContact O-N 2.99Å; K866-A870 WeakPolarHBondContact O-CB 3.34Å; K866-A870 PolarHBondContact O-N 3.01Å |
| 867 | S | 84.9 | Confident | 75.3 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 175 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | R855 F863 L864 L865 A870 L871 | R855-S867 VanDerWaalsContact NH1-CB 3.32Å; R855-S867 PolarHBondContact NH1-OG 2.91Å; F863-S867 PolarHBondContact O-N 3.06Å; F863-S867 PolarHBondContact O-OG 2.75Å; L864-S867 WeakPolarHBondContact O-CB 3.46Å; L864-S867 PolarHBondContact O-N 2.91Å; L865-S867 PolarHBondContact O-N 3.34Å; S867-A870 WeakPolarHBondContact O-CB 3.47Å; S867-A870 PolarHBondContact O-N 2.96Å; S867-L871 PolarHBondContact O-N 2.94Å |
| 868 | L | 86 | Confident | 73.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 174.8 | -169 | 75.3 | 0 | 0 | 0 | 112 | F826 L864 L865 A870 L871 L885 L889 L904 W907 L916 | F826-L868 HydrophobicContact CE2-CB 3.99Å; F826-L868 HydrophobicContact CE2-CD1 3.93Å; F826-L868 HydrophobicContact CZ-CD1 3.87Å; L864-L868 PolarHBondContact O-N 2.72Å; L865-L868 WeakPolarHBondContact O-CB 3.5Å; L865-L868 PolarHBondContact O-N 2.8Å; L865-L868 VanDerWaalsContact O-N 3.15Å; L868-A870 VanDerWaalsContact C-N 3.29Å; L868-A870 PolarHBondContact O-N 3.14Å; L868-L871 HydrophobicContact CD1-CD1 4.32Å; L868-L871 WeakPolarHBondContact O-CB 3.1Å; L868-L871 PolarHBondContact O-N 2.8Å; L868-L885 HydrophobicContact CD1-CD1 4.48Å; L868-L889 HydrophobicContact CD1-CD2 4.22Å; L868-L904 HydrophobicContact CD2-CD2 4.14Å; L868-W907 HydrophobicContact CD2-CZ3 4.06Å; L868-L916 HydrophobicContact CD2-CD2 3.99Å; L868-L916 HydrophobicContact CD2-CG 4.06Å; L868-L916 HydrophobicContact CG-CD2 4.07Å; L868-L916 HydrophobicContact CG-CG 4.36Å |
| 869 | M | 82.7 | Confident | 72 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -35.3 | 175.7 | -68.5 | 175.9 | 82.3 | 0 | 0 | 111.8 | L865 K866 L871 R872 A873 E913 L916 | L865-M869 HydrophobicContact CG-SD 4.25Å; L865-M869 VanDerWaalsContact O-CG 3.31Å; L865-M869 WeakPolarHBondContact O-CG 3.43Å; L865-M869 PolarHBondContact O-N 3.06Å; K866-M869 PolarHBondContact O-N 2.99Å; M869-L871 PolarHBondContact O-N 3.15Å; M869-R872 PolarHBondContact O-N 3.46Å; M869-A873 PolarHBondContact O-N 2.85Å; M869-A873 VanDerWaalsContact O-N 3.13Å; M869-E913 HydrophobicContact CE-CG 4.33Å; M869-E913 HydrophobicContact SD-CG 4.36Å; M869-L916 HydrophobicContact CG-CD2 3.95Å |
| 870 | A | 78.2 | Confident | 70.1 | Confident | 15 Ų | 15 | 50 Ų | 50 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -27.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K866 S867 L868 R872 A873 L878 | K866-A870 WeakPolarHBondContact O-CB 3.34Å; K866-A870 PolarHBondContact O-N 3.01Å; S867-A870 WeakPolarHBondContact O-CB 3.47Å; S867-A870 PolarHBondContact O-N 2.96Å; L868-A870 VanDerWaalsContact C-N 3.29Å; L868-A870 PolarHBondContact O-N 3.14Å; A870-R872 VanDerWaalsContact C-N 3.26Å; A870-R872 PolarHBondContact O-N 2.79Å; A870-A873 PolarHBondContact O-N 2.88Å; A870-L878 HydrophobicContact CB-CD1 4.16Å |
| 871 | L | 75.8 | Confident | 68.3 | Low | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -22.9 | 173.1 | -62 | 176.9 | 0 | 0 | 0 | 113.1 | A822 F826 S867 L868 M869 L885 A888 | A822-L871 HydrophobicContact CB-CD2 3.68Å; F826-L871 HydrophobicContact CB-CD1 4.35Å; F826-L871 HydrophobicContact CD2-CD1 4Å; F826-L871 HydrophobicContact CG-CD1 4.1Å; S867-L871 PolarHBondContact O-N 2.94Å; L868-L871 HydrophobicContact CD1-CD1 4.32Å; L868-L871 WeakPolarHBondContact O-CB 3.1Å; L868-L871 PolarHBondContact O-N 2.8Å; M869-L871 PolarHBondContact O-N 3.15Å; L871-L885 HydrophobicContact CB-CD1 3.79Å; L871-L885 HydrophobicContact CD1-CD1 4.26Å; L871-A888 HydrophobicContact CD1-CB 4.41Å; L871-A888 HydrophobicContact CD2-CB 4.15Å |
| 872 | R | 70.6 | Confident | 66.5 | Low | 89 Ų | 89 | 49.1 Ų | 49.1 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -28.1 | 173.2 | -180 | 177.4 | 178.6 | 176.8 | 1.1 | 112.1 | I140 M869 A870 L916 | I140-R872 PolarHBondContact O-NH2 2.81Å; M869-R872 PolarHBondContact O-N 3.46Å; A870-R872 VanDerWaalsContact C-N 3.26Å; A870-R872 PolarHBondContact O-N 2.79Å; R872-L916 HydrophobicContact CB-CD1 4.39Å |
| 873 | A | 60 | Low | 64.9 | Low | 38 Ų | 38 | 42.5 Ų | 42.5 | 31% | 0.314 | 22% | 0.217 | S | C | . | . | trans | -73.3 | 129.2 | -168 | 0 | 0 | 0 | 0 | 0 | 111.8 | M869 A870 Y875 | M869-A873 PolarHBondContact O-N 2.85Å; M869-A873 VanDerWaalsContact O-N 3.13Å; A870-A873 PolarHBondContact O-N 2.88Å; A873-Y875 PolarHBondContact O-N 2.84Å; A873-Y875 VanDerWaalsContact O-N 3.08Å | ||
| 874 | P | 52.6 | Low | 63.7 | Low | 46 Ų | 46 | 42.7 Ų | 42.7 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.3 | -175.5 | 22.6 | -31.7 | 0 | 0 | 0 | 115.2 | ||
| 875 | Y | 49.6 | Very low | 63.1 | Low | 115 Ų | 115 | 42.9 Ų | 42.9 | 45% | 0.451 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 11 | -173.4 | -58.4 | -64.1 | 0 | 0 | 0 | 115.7 | I105 A873 R877 | I105-Y875 WeakPolarHBondContact CA-OH 3.32Å; I105-Y875 HydrophobicContact CB-CE1 4.03Å; I105-Y875 WeakPolarHBondContact CB-OH 3.5Å; I105-Y875 HydrophobicContact CD1-CE1 4.21Å; I105-Y875 HydrophobicContact CG2-CE1 4.3Å; I105-Y875 WeakPolarHBondContact CG2-OH 3.09Å; I105-Y875 VanDerWaalsContact O-CE2 3.3Å; I105-Y875 WeakPolarHBondContact O-CE2 3.38Å; I105-Y875 PolarHBondContact O-OH 2.79Å; A873-Y875 PolarHBondContact O-N 2.84Å; A873-Y875 VanDerWaalsContact O-N 3.08Å; Y875-R877 PolarHBondContact O-N 2.94Å |
| 876 | S | 47.7 | Very low | 62.6 | Low | 35 Ų | 35 | 43 Ų | 43 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | trans | -70.5 | 136.8 | 175.3 | -165.1 | 0 | 0 | 0 | 0 | 109.6 | L878 G879 | S876-L878 PolarHBondContact O-N 2.76Å; S876-L878 WeakPolarHBondContact OG-CB 3.47Å; S876-L878 WeakPolarHBondContact OG-CD1 3.25Å; S876-L878 PolarHBondContact OG-N 2.96Å; S876-G879 PolarHBondContact O-N 3.02Å | ||
| 877 | R | 45.3 | Very low | 62 | Low | 256 Ų | 256 | 39.5 Ų | 39.5 | 97% | 0.966 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -21.9 | 164.4 | -72.2 | -171.7 | -173.3 | -174.6 | 0.7 | 111.5 | Y875 G879 | Y875-R877 PolarHBondContact O-N 2.94Å; R877-G879 PolarHBondContact O-N 2.87Å; R877-G879 VanDerWaalsContact O-N 3.08Å |
| 878 | L | 45.1 | Very low | 61.7 | Low | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 20.3 | 168.8 | -71.2 | 112 | 0 | 0 | 0 | 115.4 | A822 M825 A870 S876 G880 | A822-L878 WeakPolarHBondContact CB-O 3.36Å; M825-L878 HydrophobicContact CB-CD2 3.56Å; M825-L878 HydrophobicContact CE-CD1 4.09Å; M825-L878 HydrophobicContact CE-CD2 3.67Å; M825-L878 HydrophobicContact CE-CG 3.57Å; M825-L878 HydrophobicContact CG-CD2 4.22Å; M825-L878 HydrophobicContact SD-CB 4.44Å; M825-L878 HydrophobicContact SD-CD2 3.61Å; M825-L878 HydrophobicContact SD-CG 3.61Å; A870-L878 HydrophobicContact CB-CD1 4.16Å; S876-L878 PolarHBondContact O-N 2.76Å; S876-L878 WeakPolarHBondContact OG-CB 3.47Å; S876-L878 WeakPolarHBondContact OG-CD1 3.25Å; S876-L878 PolarHBondContact OG-N 2.96Å; L878-G880 PolarHBondContact O-N 2.79Å |
| 879 | G | 39.6 | Very low | 61.6 | Low | 19 Ų | 19 | 39.5 Ų | 39.5 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | trans | 48.9 | 67.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S876 R877 | S876-G879 PolarHBondContact O-N 3.02Å; R877-G879 PolarHBondContact O-N 2.87Å; R877-G879 VanDerWaalsContact O-N 3.08Å | ||
| 880 | G | 43.5 | Very low | 61.5 | Low | 6 Ų | 6 | 36.3 Ų | 36.3 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | trans | -147.3 | 64.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L878 | L878-G880 PolarHBondContact O-N 2.79Š| ||
| 881 | G | 48.5 | Very low | 61.6 | Low | 27 Ų | 27 | 37.8 Ų | 37.8 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | trans | -52.7 | 148.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N108 A883 G884 | N108-G881 WeakPolarHBondContact O-CA 3.37Å; G881-A883 PolarHBondContact O-N 3.4Å; G881-G884 WeakPolarHBondContact O-CA 3.45Å; G881-G884 PolarHBondContact O-N 3.03Å | ||
| 882 | G | 48 | Very low | 62.1 | Low | 11 Ų | 11 | 38 Ų | 38 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -18.8 | -161.8 | 0 | 0 | 0 | 0 | 0 | 118 | G142 G884 | G142-G882 CarbonylContact O-C 3.33Å; G142-G882 VanDerWaalsContact O-C 3.3Å; G142-G882 VanDerWaalsContact O-O 3.1Å; G882-G884 VanDerWaalsContact C-N 3.26Å; G882-G884 PolarHBondContact O-N 2.86Å |
| 883 | A | 53.3 | Low | 62.9 | Low | 18 Ų | 18 | 36.8 Ų | 36.8 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -18.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L812 G881 H887 | L812-A883 HydrophobicContact CD2-CB 3.65Å; G881-A883 PolarHBondContact O-N 3.4Å; A883-H887 PolarHBondContact O-ND1 2.83Å |
| 884 | G | 64 | Low | 64.2 | Low | 6 Ų | 6 | 37.9 Ų | 37.9 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.1 | -23.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G881 G882 E886 H887 A888 | G881-G884 WeakPolarHBondContact O-CA 3.45Å; G881-G884 PolarHBondContact O-N 3.03Å; G882-G884 VanDerWaalsContact C-N 3.26Å; G882-G884 PolarHBondContact O-N 2.86Å; G884-E886 PolarHBondContact O-N 2.8Å; G884-H887 PolarHBondContact O-N 2.9Å; G884-A888 WeakPolarHBondContact O-CB 3.25Å; G884-A888 PolarHBondContact O-N 2.8Å |
| 885 | L | 77.3 | Confident | 65.9 | Low | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | -179.6 | 178.4 | 71.1 | 0 | 0 | 0 | 111.5 | L868 L871 L889 L916 | L868-L885 HydrophobicContact CD1-CD1 4.48Å; L871-L885 HydrophobicContact CB-CD1 3.79Å; L871-L885 HydrophobicContact CD1-CD1 4.26Å; L885-L889 HydrophobicContact CD1-CD1 3.98Å; L885-L889 HydrophobicContact CD1-CG 4.27Å; L885-L889 HydrophobicContact CG-CD1 3.99Å; L885-L889 VanDerWaalsContact O-CB 3.29Å; L885-L889 WeakPolarHBondContact O-CB 3.39Å; L885-L889 WeakPolarHBondContact O-CG 3.34Å; L885-L889 PolarHBondContact O-N 3Å; L885-L916 HydrophobicContact CD1-CD1 4.17Å; L885-L916 HydrophobicContact CD2-CD1 3.47Å; L885-L916 VanDerWaalsContact CD2-CD1 3.47Å; L885-L916 HydrophobicContact CG-CD1 4.48Å |
| 886 | E | 76.4 | Confident | 67.8 | Low | 22 Ų | 22 | 35.3 Ų | 35.3 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -41.6 | -179.5 | -71.9 | -176.1 | -171.7 | 0 | 0 | 111 | G884 L889 G890 R919 R922 H923 | G884-E886 PolarHBondContact O-N 2.8Å; E886-L889 PolarHBondContact O-N 3.34Å; E886-G890 PolarHBondContact O-N 2.94Å; E886-R919 IonicContact OE1-CZ 3.61Å; E886-R919 VanDerWaalsContact OE1-CZ 3.24Å; E886-R919 IonicContact OE1-NE 2.89Å; E886-R919 PolarHBondContact OE1-NE 3.26Å; E886-R919 IonicContact OE1-NH2 2.94Å; E886-R919 PolarHBondContact OE1-NH2 2.93Å; E886-R922 IonicContact OE1-NH2 3.72Å; E886-H923 WeakPolarHBondContact CA-NE2 3.21Å; E886-H923 PolarHBondContact O-NE2 2.78Å; E886-H923 IonicContact OE2-ND1 2.97Å |
| 887 | H | 73.3 | Confident | 69.9 | Low | 24 Ų | 24 | 33.6 Ų | 33.6 | 11% | 0.111 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 177.6 | -71.8 | 74.1 | 0 | 0 | 0 | 112.9 | L812 G813 T819 A883 G884 G890 A891 | L812-H887 PolarHBondContact O-CE1 2.87Å; G813-H887 PolarHBondContact O-NE2 2.86Å; G813-H887 VanDerWaalsContact O-NE2 3.14Å; T819-H887 HydrophobicContact CG2-CB 4.22Å; A883-H887 PolarHBondContact O-ND1 2.83Å; G884-H887 PolarHBondContact O-N 2.9Å; H887-G890 PolarHBondContact O-N 2.83Å; H887-A891 PolarHBondContact O-N 3.41Å |
| 888 | A | 78.4 | Confident | 72 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A822 A823 L871 G884 G890 A891 | A822-A888 HydrophobicContact CB-CB 4.44Å; A823-A888 HydrophobicContact CB-CB 4.39Å; A823-A888 WeakPolarHBondContact CB-O 3.46Å; L871-A888 HydrophobicContact CD1-CB 4.41Å; L871-A888 HydrophobicContact CD2-CB 4.15Å; G884-A888 WeakPolarHBondContact O-CB 3.25Å; G884-A888 PolarHBondContact O-N 2.8Å; A888-G890 VanDerWaalsContact C-N 3.33Å; A888-G890 PolarHBondContact O-N 2.77Å; A888-A891 PolarHBondContact O-N 3.23Å |
| 889 | L | 83.8 | Confident | 74.1 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.2 | -33.3 | 174.5 | -71.5 | 176.7 | 0 | 0 | 0 | 112.6 | L868 L885 E886 A891 L892 L900 S920 L924 | L868-L889 HydrophobicContact CD1-CD2 4.22Å; L885-L889 HydrophobicContact CD1-CD1 3.98Å; L885-L889 HydrophobicContact CD1-CG 4.27Å; L885-L889 HydrophobicContact CG-CD1 3.99Å; L885-L889 VanDerWaalsContact O-CB 3.29Å; L885-L889 WeakPolarHBondContact O-CB 3.39Å; L885-L889 WeakPolarHBondContact O-CG 3.34Å; L885-L889 PolarHBondContact O-N 3Å; E886-L889 PolarHBondContact O-N 3.34Å; L889-A891 VanDerWaalsContact C-N 3.33Å; L889-L892 HydrophobicContact CD2-CD1 3.73Å; L889-L892 WeakPolarHBondContact O-CB 3.33Å; L889-L892 WeakPolarHBondContact O-CG 3.17Å; L889-L892 PolarHBondContact O-N 3.49Å; L889-L900 HydrophobicContact CD2-CD2 4.42Å; L889-S920 VanDerWaalsContact CD1-CB 3.47Å; L889-L924 HydrophobicContact CB-CD2 4.13Å |
| 890 | G | 80.1 | Confident | 76.6 | Confident | 8 Ų | 8 | 28.1 Ų | 28.1 | 8% | 0.082 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74 | -20.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E886 H887 A888 L892 L927 | E886-G890 PolarHBondContact O-N 2.94Å; H887-G890 PolarHBondContact O-N 2.83Å; A888-G890 VanDerWaalsContact C-N 3.33Å; A888-G890 PolarHBondContact O-N 2.77Å; G890-L892 VanDerWaalsContact C-N 3.33Å; G890-L927 VanDerWaalsContact CA-CD1 3.5Å |
| 891 | A | 81.4 | Confident | 78.9 | Confident | 47 Ų | 47 | 28.2 Ų | 28.2 | 39% | 0.388 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A823 H887 A888 L889 | A823-A891 HydrophobicContact CB-CB 3.79Å; H887-A891 PolarHBondContact O-N 3.41Å; A888-A891 PolarHBondContact O-N 3.23Å; L889-A891 VanDerWaalsContact C-N 3.33Å |
| 892 | L | 85.6 | Confident | 81 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -66.4 | 140.3 | 177.5 | -61.3 | 176.8 | 0 | 0 | 0 | 111.3 | F826 M827 L889 G890 V897 L900 | F826-L892 HydrophobicContact CD1-CD1 4.15Å; F826-L892 HydrophobicContact CD1-CD2 3.8Å; F826-L892 HydrophobicContact CE1-CD1 4.13Å; M827-L892 HydrophobicContact CG-CD2 3.55Å; M827-L892 HydrophobicContact SD-CD2 4.2Å; L889-L892 HydrophobicContact CD2-CD1 3.73Å; L889-L892 WeakPolarHBondContact O-CB 3.33Å; L889-L892 WeakPolarHBondContact O-CG 3.17Å; L889-L892 PolarHBondContact O-N 3.49Å; G890-L892 VanDerWaalsContact C-N 3.33Å; L892-V897 HydrophobicContact CB-CG2 4.11Å; L892-L900 HydrophobicContact CD1-CD2 3.97Å |
| 893 | T | 88 | Confident | 83 | Confident | 64 Ų | 64 | 31.9 Ų | 31.9 | 39% | 0.393 | 17% | 0.172 | S | C | . | . | trans | -65.1 | 153.8 | 173.7 | 72.5 | 0 | 0 | 0 | 0 | 111 | M827 E895 H896 V897 | M827-T893 HydrophobicContact SD-CG2 3.91Å; T893-E895 PolarHBondContact O-N 3.01Å; T893-E895 VanDerWaalsContact O-N 3.13Å; T893-H896 PolarHBondContact O-N 2.82Å; T893-H896 VanDerWaalsContact O-N 3.17Å; T893-H896 PolarHBondContact OG1-N 2.92Å; T893-H896 PolarHBondContact OG1-ND1 2.85Å; T893-V897 WeakPolarHBondContact O-CG2 3.46Å; T893-V897 PolarHBondContact O-N 2.68Å; T893-V897 VanDerWaalsContact O-N 3.11Å | ||
| 894 | S | 86 | Confident | 84.9 | Confident | 61 Ų | 61 | 31 Ų | 31 | 43% | 0.427 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.4 | -29.7 | 175.6 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | R898 | S894-R898 WeakPolarHBondContact O-CG 3.34Å; S894-R898 PolarHBondContact O-N 3.02Å |
| 895 | E | 88.4 | Confident | 86.3 | Confident | 86 Ų | 86 | 30.8 Ų | 30.8 | 40% | 0.402 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -68.3 | -49.1 | 177 | -176.6 | 167.4 | -167.4 | 0 | 0 | 112.3 | T893 V897 R898 R899 | T893-E895 PolarHBondContact O-N 3.01Å; T893-E895 VanDerWaalsContact O-N 3.13Å; E895-V897 VanDerWaalsContact C-N 3.26Å; E895-V897 PolarHBondContact O-N 3.35Å; E895-R898 PolarHBondContact O-N 3.05Å; E895-R899 VanDerWaalsContact CD-NH2 3.26Å; E895-R899 PolarHBondContact O-N 2.84Å; E895-R899 IonicContact OE1-CZ 3.08Å; E895-R899 IonicContact OE1-NE 2.6Å; E895-R899 IonicContact OE1-NH2 2.81Å; E895-R899 PolarHBondContact OE1-NH2 3.34Å |
| 896 | H | 91.1 | Very high | 87 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.2 | -38.9 | 174.1 | -70.7 | 96.6 | 0 | 0 | 0 | 111.5 | M830 D831 T893 R898 R899 L900 | M830-H896 HydrophobicContact CE-CB 4.23Å; M830-H896 VanDerWaalsContact CE-O 3.31Å; M830-H896 WeakPolarHBondContact CE-O 3.07Å; M830-H896 HydrophobicContact SD-CB 4.19Å; D831-H896 IonicContact OD1-NE2 2.67Å; D831-H896 IonicContact OD2-NE2 3.83Å; T893-H896 PolarHBondContact O-N 2.82Å; T893-H896 VanDerWaalsContact O-N 3.17Å; T893-H896 PolarHBondContact OG1-N 2.92Å; T893-H896 PolarHBondContact OG1-ND1 2.85Å; H896-R898 PolarHBondContact O-N 3.42Å; H896-R899 PolarHBondContact O-N 3.33Å; H896-L900 VanDerWaalsContact O-CB 3.29Å; H896-L900 WeakPolarHBondContact O-CB 3.41Å; H896-L900 PolarHBondContact O-N 3.19Å |
| 897 | V | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | L892 T893 E895 R899 L900 L901 L924 | L892-V897 HydrophobicContact CB-CG2 4.11Å; T893-V897 WeakPolarHBondContact O-CG2 3.46Å; T893-V897 PolarHBondContact O-N 2.68Å; T893-V897 VanDerWaalsContact O-N 3.11Å; E895-V897 VanDerWaalsContact C-N 3.26Å; E895-V897 PolarHBondContact O-N 3.35Å; V897-R899 VanDerWaalsContact C-N 3.28Å; V897-R899 PolarHBondContact O-N 2.89Å; V897-L900 PolarHBondContact O-N 2.79Å; V897-L901 HydrophobicContact CG1-CD1 3.94Å; V897-L901 HydrophobicContact CG1-CG 4.26Å; V897-L901 PolarHBondContact O-N 3.32Å; V897-L901 VanDerWaalsContact O-N 3.13Å; V897-L924 HydrophobicContact CG1-CD2 4.47Å; V897-L924 HydrophobicContact CG2-CD2 4.02Å |
| 898 | R | 90.4 | Very high | 88.6 | Confident | 105 Ų | 105 | 30.3 Ų | 30.3 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61 | -38.5 | 176.2 | -71.5 | -178.2 | -61.7 | -177.3 | 2.6 | 112 | S894 E895 H896 P902 L931 | S894-R898 WeakPolarHBondContact O-CG 3.34Å; S894-R898 PolarHBondContact O-N 3.02Å; E895-R898 PolarHBondContact O-N 3.05Å; H896-R898 PolarHBondContact O-N 3.42Å; R898-P902 WeakPolarHBondContact O-CD 3.35Å; R898-L931 HydrophobicContact CG-CD2 3.94Å |
| 899 | R | 89.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 32.5 Ų | 32.5 | 26% | 0.264 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -75.1 | -36.7 | 178.6 | -63.3 | 167.9 | -179 | -173.5 | 16.5 | 112.3 | M830 D831 E834 E895 H896 V897 K903 | M830-R899 HydrophobicContact CE-CB 3.88Å; D831-R899 IonicContact OD1-NH1 3.4Å; D831-R899 PolarHBondContact OD1-NH1 3.44Å; E834-R899 VanDerWaalsContact OE1-CD 3.25Å; E834-R899 WeakPolarHBondContact OE1-CD 3.41Å; E834-R899 WeakPolarHBondContact OE1-CG 3.37Å; E834-R899 IonicContact OE2-CZ 3.46Å; E834-R899 IonicContact OE2-NE 2.69Å; E834-R899 IonicContact OE2-NH1 3.59Å; E834-R899 PolarHBondContact OE2-NH1 3.18Å; E895-R899 VanDerWaalsContact CD-NH2 3.26Å; E895-R899 PolarHBondContact O-N 2.84Å; E895-R899 IonicContact OE1-CZ 3.08Å; E895-R899 IonicContact OE1-NE 2.6Å; E895-R899 IonicContact OE1-NH2 2.81Å; E895-R899 PolarHBondContact OE1-NH2 3.34Å; H896-R899 PolarHBondContact O-N 3.33Å; V897-R899 VanDerWaalsContact C-N 3.28Å; V897-R899 PolarHBondContact O-N 2.89Å; R899-K903 WeakPolarHBondContact O-CG 3.32Å |
| 900 | L | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74 | -42.9 | -175.1 | -176.4 | 61.3 | 0 | 0 | 0 | 113.4 | F826 M830 L889 L892 H896 V897 K903 L904 L924 | F826-L900 HydrophobicContact CE1-CD1 4.24Å; F826-L900 HydrophobicContact CE1-CD2 3.94Å; F826-L900 HydrophobicContact CZ-CD1 4.02Å; F826-L900 HydrophobicContact CZ-CD2 4.36Å; M830-L900 HydrophobicContact CE-CB 3.83Å; M830-L900 HydrophobicContact CE-CD1 4.48Å; M830-L900 HydrophobicContact SD-CB 4.14Å; M830-L900 HydrophobicContact SD-CD1 4.18Å; M830-L900 HydrophobicContact SD-CD2 4.45Å; M830-L900 HydrophobicContact SD-CG 4.49Å; L889-L900 HydrophobicContact CD2-CD2 4.42Å; L892-L900 HydrophobicContact CD1-CD2 3.97Å; H896-L900 VanDerWaalsContact O-CB 3.29Å; H896-L900 WeakPolarHBondContact O-CB 3.41Å; H896-L900 PolarHBondContact O-N 3.19Å; V897-L900 PolarHBondContact O-N 2.79Å; L900-K903 WeakPolarHBondContact O-CA 3.5Å; L900-K903 WeakPolarHBondContact O-CB 3.13Å; L900-K903 PolarHBondContact O-N 3.29Å; L900-L904 HydrophobicContact CD1-CD1 4.35Å; L900-L904 HydrophobicContact CD1-CD2 4.21Å; L900-L904 HydrophobicContact CD1-CG 4.01Å; L900-L904 HydrophobicContact CD2-CD1 4.17Å; L900-L904 HydrophobicContact CG-CD1 3.81Å; L900-L904 HydrophobicContact CG-CG 3.93Å; L900-L904 PolarHBondContact O-N 2.82Å; L900-L924 HydrophobicContact CD2-CD1 3.67Å; L900-L924 HydrophobicContact CG-CD1 4.39Å |
| 901 | L | 92.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.6 | -45.5 | -174.1 | -79.5 | 170.8 | 0 | 0 | 0 | 114 | V897 K903 L904 A905 L924 V925 V932 L938 | V897-L901 HydrophobicContact CG1-CD1 3.94Å; V897-L901 HydrophobicContact CG1-CG 4.26Å; V897-L901 PolarHBondContact O-N 3.32Å; V897-L901 VanDerWaalsContact O-N 3.13Å; L901-K903 VanDerWaalsContact C-N 3.28Å; L901-K903 PolarHBondContact O-N 3.09Å; L901-L904 PolarHBondContact O-N 2.73Å; L901-A905 PolarHBondContact O-N 3.11Å; L901-L924 HydrophobicContact CD2-CB 4.26Å; L901-L924 HydrophobicContact CD2-CD1 4.42Å; L901-V925 HydrophobicContact CD2-CG2 4.18Å; L901-V932 HydrophobicContact CD1-CG2 4.36Å; L901-L938 HydrophobicContact CB-CD2 4.03Å; L901-L938 HydrophobicContact CD1-CD1 3.99Å; L901-L938 HydrophobicContact CD1-CD2 3.98Å |
| 902 | P | 92.1 | Very high | 90.2 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.2 | -35.2 | 173.5 | -24.5 | 34 | 0 | 0 | 0 | 113.6 | R898 A905 D906 A941 | R898-P902 WeakPolarHBondContact O-CD 3.35Å; P902-A905 PolarHBondContact O-N 2.96Å; P902-D906 PolarHBondContact O-N 3.4Å; P902-D906 VanDerWaalsContact O-N 3.08Å; P902-A941 HydrophobicContact CB-CB 4.19Å; P902-A941 HydrophobicContact CG-CB 4.03Å |
| 903 | K | 90.6 | Very high | 90.1 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -72.3 | -41.1 | 179.3 | -57.7 | -58.3 | -179.1 | 162.8 | 0 | 112.1 | Y833 R899 L900 L901 A905 D906 W907 | Y833-K903 HydrophobicContact CE1-CD 4.17Å; Y833-K903 HydrophobicContact CE1-CG 4.31Å; Y833-K903 WeakPolarHBondContact OH-CD 3.45Å; Y833-K903 VanDerWaalsContact OH-CE 3.31Å; Y833-K903 WeakPolarHBondContact OH-CE 3.43Å; Y833-K903 PolarHBondContact OH-NZ 2.95Å; R899-K903 WeakPolarHBondContact O-CG 3.32Å; L900-K903 WeakPolarHBondContact O-CA 3.5Å; L900-K903 WeakPolarHBondContact O-CB 3.13Å; L900-K903 PolarHBondContact O-N 3.29Å; L901-K903 VanDerWaalsContact C-N 3.28Å; L901-K903 PolarHBondContact O-N 3.09Å; K903-A905 VanDerWaalsContact C-N 3.29Å; K903-A905 PolarHBondContact O-N 2.88Å; K903-D906 PolarHBondContact O-N 2.85Å; K903-W907 PolarHBondContact O-N 3.07Å |
| 904 | L | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 172.5 | -65.2 | 178.4 | 0 | 0 | 0 | 111.3 | L868 L900 L901 D906 W907 L908 V917 I921 L924 | L868-L904 HydrophobicContact CD2-CD2 4.14Å; L900-L904 HydrophobicContact CD1-CD1 4.35Å; L900-L904 HydrophobicContact CD1-CD2 4.21Å; L900-L904 HydrophobicContact CD1-CG 4.01Å; L900-L904 HydrophobicContact CD2-CD1 4.17Å; L900-L904 HydrophobicContact CG-CD1 3.81Å; L900-L904 HydrophobicContact CG-CG 3.93Å; L900-L904 PolarHBondContact O-N 2.82Å; L901-L904 PolarHBondContact O-N 2.73Å; L904-D906 VanDerWaalsContact C-N 3.34Å; L904-D906 PolarHBondContact O-N 3.31Å; L904-W907 HydrophobicContact CD2-CE3 3.62Å; L904-W907 HydrophobicContact CD2-CZ3 3.61Å; L904-W907 PolarHBondContact O-N 3.2Å; L904-L908 WeakPolarHBondContact O-CB 3.23Å; L904-L908 PolarHBondContact O-N 2.96Å; L904-V917 HydrophobicContact CB-CG1 4.07Å; L904-V917 HydrophobicContact CD2-CG1 4.21Å; L904-V917 VanDerWaalsContact O-CG1 3.29Å; L904-V917 WeakPolarHBondContact O-CG1 3.19Å; L904-I921 HydrophobicContact CB-CD1 3.84Å; L904-I921 HydrophobicContact CB-CG1 3.63Å; L904-I921 HydrophobicContact CD1-CG1 3.88Å; L904-I921 HydrophobicContact CG-CG1 4.38Å; L904-L924 HydrophobicContact CD1-CD1 3.88Å |
| 905 | A | 92.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L901 P902 K903 S909 A941 Q944 | L901-A905 PolarHBondContact O-N 3.11Å; P902-A905 PolarHBondContact O-N 2.96Å; K903-A905 VanDerWaalsContact C-N 3.29Å; K903-A905 PolarHBondContact O-N 2.88Å; A905-S909 PolarHBondContact O-N 3.1Å; A905-S909 VanDerWaalsContact O-N 3.13Å; A905-A941 WeakPolarHBondContact CB-O 3.31Å; A905-Q944 HydrophobicContact CB-CB 4.48Å; A905-Q944 HydrophobicContact CB-CG 4.49Å |
| 906 | D | 91.6 | Very high | 89.7 | Confident | 40 Ų | 40 | 42.9 Ų | 42.9 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -46.8 | 174.6 | -177.6 | 41.3 | 0 | 0 | 0 | 111.8 | P902 K903 L904 L908 S909 R910 | P902-D906 PolarHBondContact O-N 3.4Å; P902-D906 VanDerWaalsContact O-N 3.08Å; K903-D906 PolarHBondContact O-N 2.85Å; L904-D906 VanDerWaalsContact C-N 3.34Å; L904-D906 PolarHBondContact O-N 3.31Å; D906-L908 VanDerWaalsContact C-N 3.3Å; D906-L908 PolarHBondContact O-N 2.82Å; D906-S909 WeakPolarHBondContact O-CB 3.3Å; D906-S909 PolarHBondContact O-N 3.24Å; D906-S909 PolarHBondContact O-OG 3.46Å; D906-R910 WeakPolarHBondContact O-CG 2.64Å; D906-R910 PolarHBondContact O-N 3.35Å; D906-R910 IonicContact OD1-NE 3.9Å; D906-R910 PolarHBondContact OD1-NE 2.98Å; D906-R910 IonicContact OD1-NH2 2.9Å; D906-R910 IonicContact OD2-CZ 2.63Å; D906-R910 IonicContact OD2-NE 3.17Å; D906-R910 PolarHBondContact OD2-NE 3.03Å; D906-R910 IonicContact OD2-NH2 2.87Å; D906-R910 PolarHBondContact OD2-NH2 2.78Å |
| 907 | W | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 177.1 | -64.5 | -11.8 | 0 | 0 | 0 | 113.2 | L864 L865 L868 K903 L904 S909 R910 G911 W912 V917 | L864-W907 HydrophobicContact CB-CH2 3.98Å; L864-W907 HydrophobicContact CB-CZ2 4.03Å; L864-W907 HydrophobicContact CD2-CH2 3.66Å; L864-W907 HydrophobicContact CD2-CZ2 3.8Å; L864-W907 HydrophobicContact CG-CH2 3.71Å; L864-W907 HydrophobicContact CG-CZ2 4.11Å; L865-W907 HydrophobicContact CB-CH2 4.5Å; L865-W907 HydrophobicContact CD1-CE3 4.16Å; L865-W907 HydrophobicContact CD1-CZ3 4.26Å; L868-W907 HydrophobicContact CD2-CZ3 4.06Å; K903-W907 PolarHBondContact O-N 3.07Å; L904-W907 HydrophobicContact CD2-CE3 3.62Å; L904-W907 HydrophobicContact CD2-CZ3 3.61Å; L904-W907 PolarHBondContact O-N 3.2Å; W907-S909 VanDerWaalsContact C-N 3.29Å; W907-S909 PolarHBondContact O-N 3.08Å; W907-R910 CarbonylContact O-C 3.6Å; W907-R910 PolarHBondContact O-N 2.94Å; W907-G911 PolarHBondContact O-N 2.69Å; W907-W912 HydrophobicContact CB-CB 4.49Å; W907-W912 HydrophobicContact CB-CE3 4.46Å; W907-W912 AromaticContact CD1-CE3 3.74Å; W907-W912 AromaticContact CD1-CZ3 3.85Å; W907-W912 HydrophobicContact CG-CE3 4.03Å; W907-W912 AromaticContact NE1-CZ3 3.96Å; W907-W912 PolarHBondContact O-N 2.66Å; W907-W912 VanDerWaalsContact O-N 3.1Å; W907-V917 HydrophobicContact CB-CG2 4.39Å; W907-V917 HydrophobicContact CE3-CG2 4.22Å |
| 908 | L | 92.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 175.5 | -167.2 | 66 | 0 | 0 | 0 | 111.4 | L904 D906 R910 G911 I914 V917 I921 S945 A948 R949 Q952 | L904-L908 WeakPolarHBondContact O-CB 3.23Å; L904-L908 PolarHBondContact O-N 2.96Å; D906-L908 VanDerWaalsContact C-N 3.3Å; D906-L908 PolarHBondContact O-N 2.82Å; L908-R910 VanDerWaalsContact C-N 3.32Å; L908-R910 PolarHBondContact O-N 3.27Å; L908-G911 PolarHBondContact O-N 2.81Å; L908-I914 HydrophobicContact CD1-CG2 4.19Å; L908-V917 HydrophobicContact CB-CG1 4.03Å; L908-V917 HydrophobicContact CD1-CG1 4.31Å; L908-I921 HydrophobicContact CD2-CD1 4.08Å; L908-S945 WeakPolarHBondContact CD2-O 3.48Å; L908-A948 HydrophobicContact CB-CB 4.31Å; L908-A948 HydrophobicContact CD2-CB 4.22Å; L908-A948 HydrophobicContact CG-CB 4.08Å; L908-R949 HydrophobicContact CD2-CB 3.87Å; L908-Q952 WeakPolarHBondContact O-CG 3.39Å; L908-Q952 PolarHBondContact O-NE2 3.47Å |
| 909 | S | 91.5 | Very high | 89.3 | Confident | 47 Ų | 47 | 40 Ų | 40 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65 | -36.4 | 174.9 | 82 | 0 | 0 | 0 | 0 | 112.3 | A905 D906 W907 G911 Q952 | A905-S909 PolarHBondContact O-N 3.1Å; A905-S909 VanDerWaalsContact O-N 3.13Å; D906-S909 WeakPolarHBondContact O-CB 3.3Å; D906-S909 PolarHBondContact O-N 3.24Å; D906-S909 PolarHBondContact O-OG 3.46Å; W907-S909 VanDerWaalsContact C-N 3.29Å; W907-S909 PolarHBondContact O-N 3.08Å; S909-G911 VanDerWaalsContact C-N 3.28Å; S909-G911 PolarHBondContact O-N 2.8Å; S909-Q952 PolarHBondContact O-NE2 2.56Å |
| 910 | R | 89.4 | Confident | 89.2 | Confident | 107 Ų | 107 | 36.6 Ų | 36.6 | 40% | 0.404 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -76.3 | -12.2 | 175.1 | -60.9 | -179.5 | -166.8 | -171.3 | 10.1 | 113.7 | E861 D906 W907 L908 W912 | E861-R910 IonicContact OE1-CZ 3.76Å; E861-R910 IonicContact OE1-NH1 2.95Å; E861-R910 PolarHBondContact OE1-NH1 3.45Å; E861-R910 IonicContact OE1-NH2 3.24Å; E861-R910 PolarHBondContact OE1-NH2 2.86Å; E861-R910 IonicContact OE2-CZ 3.03Å; E861-R910 IonicContact OE2-NH1 3.4Å; E861-R910 PolarHBondContact OE2-NH1 3.27Å; E861-R910 IonicContact OE2-NH2 2.75Å; D906-R910 WeakPolarHBondContact O-CG 2.64Å; D906-R910 PolarHBondContact O-N 3.35Å; D906-R910 IonicContact OD1-NE 3.9Å; D906-R910 PolarHBondContact OD1-NE 2.98Å; D906-R910 IonicContact OD1-NH2 2.9Å; D906-R910 IonicContact OD2-CZ 2.63Å; D906-R910 IonicContact OD2-NE 3.17Å; D906-R910 PolarHBondContact OD2-NE 3.03Å; D906-R910 IonicContact OD2-NH2 2.87Å; D906-R910 PolarHBondContact OD2-NH2 2.78Å; W907-R910 CarbonylContact O-C 3.6Å; W907-R910 PolarHBondContact O-N 2.94Å; L908-R910 VanDerWaalsContact C-N 3.32Å; L908-R910 PolarHBondContact O-N 3.27Å; R910-W912 HydrophobicContact CB-CD2 4.4Å; R910-W912 HydrophobicContact CB-CG 4.34Å |
| 911 | G | 87.1 | Confident | 89.1 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 27.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | W907 L908 S909 | W907-G911 PolarHBondContact O-N 2.69Å; L908-G911 PolarHBondContact O-N 2.81Å; S909-G911 VanDerWaalsContact C-N 3.28Å; S909-G911 PolarHBondContact O-N 2.8Å |
| 912 | W | 88.2 | Confident | 88.9 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -83.4 | 127 | 175.8 | -63.2 | -4.6 | 0 | 0 | 0 | 110.3 | E861 L865 W907 R910 I914 V917 | E861-W912 HydrophobicContact CB-CH2 4.4Å; E861-W912 HydrophobicContact CB-CZ3 4.12Å; L865-W912 HydrophobicContact CD2-CB 4.36Å; L865-W912 HydrophobicContact CD2-CD2 4.43Å; L865-W912 HydrophobicContact CD2-CE3 3.98Å; W907-W912 HydrophobicContact CB-CB 4.49Å; W907-W912 HydrophobicContact CB-CE3 4.46Å; W907-W912 AromaticContact CD1-CE3 3.74Å; W907-W912 AromaticContact CD1-CZ3 3.85Å; W907-W912 HydrophobicContact CG-CE3 4.03Å; W907-W912 AromaticContact NE1-CZ3 3.96Å; W907-W912 PolarHBondContact O-N 2.66Å; W907-W912 VanDerWaalsContact O-N 3.1Å; R910-W912 HydrophobicContact CB-CD2 4.4Å; R910-W912 HydrophobicContact CB-CG 4.34Å; W912-I914 PolarHBondContact O-N 3.01Å; W912-V917 WeakPolarHBondContact O-CG2 3.49Å |
| 913 | E | 84 | Confident | 88.6 | Confident | 86 Ų | 86 | 42 Ų | 42 | 40% | 0.402 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 40.4 | 60.8 | 173.4 | -68.1 | -65.3 | 163.7 | 0 | 0 | 113.8 | M869 E915 L916 V917 | M869-E913 HydrophobicContact CE-CG 4.33Å; M869-E913 HydrophobicContact SD-CG 4.36Å; E913-E915 VanDerWaalsContact C-N 3.28Å; E913-E915 PolarHBondContact O-N 2.85Å; E913-L916 HydrophobicContact CB-CB 4.14Å; E913-L916 PolarHBondContact O-N 3.02Å; E913-L916 VanDerWaalsContact O-N 3.1Å; E913-V917 WeakPolarHBondContact O-CG2 3.25Å; E913-V917 PolarHBondContact O-N 2.83Å |
| 914 | I | 87.3 | Confident | 88.5 | Confident | 52 Ų | 52 | 39 Ų | 39 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.9 | -42.8 | -167.9 | -61.1 | 161.8 | 0 | 0 | 0 | 112.2 | L908 W912 G918 Q952 | L908-I914 HydrophobicContact CD1-CG2 4.19Å; W912-I914 PolarHBondContact O-N 3.01Å; I914-G918 WeakPolarHBondContact O-CA 3.37Å; I914-G918 PolarHBondContact O-N 2.94Å; I914-Q952 HydrophobicContact CD1-CB 4.09Å; I914-Q952 HydrophobicContact CD1-CG 4.43Å; I914-Q952 HydrophobicContact CG1-CB 4.41Å; I914-Q952 HydrophobicContact CG2-CB 4.27Å |
| 915 | E | 81.7 | Confident | 88.2 | Confident | 142 Ų | 142 | 40.8 Ų | 40.8 | 66% | 0.664 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -68.4 | -43.6 | -179.5 | -66.9 | -59 | 145.7 | 0 | 0 | 112.3 | E913 R919 | E913-E915 VanDerWaalsContact C-N 3.28Å; E913-E915 PolarHBondContact O-N 2.85Å; E915-R919 WeakPolarHBondContact O-CB 3.22Å; E915-R919 PolarHBondContact O-N 3.22Å |
| 916 | L | 84.2 | Confident | 88 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68 | -48 | -179.3 | 179.6 | 65.3 | 0 | 0 | 0 | 110.9 | L868 M869 R872 L885 E913 R919 S920 | L868-L916 HydrophobicContact CD2-CD2 3.99Å; L868-L916 HydrophobicContact CD2-CG 4.06Å; L868-L916 HydrophobicContact CG-CD2 4.07Å; L868-L916 HydrophobicContact CG-CG 4.36Å; M869-L916 HydrophobicContact CG-CD2 3.95Å; R872-L916 HydrophobicContact CB-CD1 4.39Å; L885-L916 HydrophobicContact CD1-CD1 4.17Å; L885-L916 HydrophobicContact CD2-CD1 3.47Å; L885-L916 VanDerWaalsContact CD2-CD1 3.47Å; L885-L916 HydrophobicContact CG-CD1 4.48Å; E913-L916 HydrophobicContact CB-CB 4.14Å; E913-L916 PolarHBondContact O-N 3.02Å; E913-L916 VanDerWaalsContact O-N 3.1Å; L916-R919 PolarHBondContact O-N 2.95Å; L916-S920 WeakPolarHBondContact O-CB 3.43Å; L916-S920 PolarHBondContact O-N 2.95Å; L916-S920 PolarHBondContact O-OG 3.07Å |
| 917 | V | 89.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 178.7 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | L904 W907 L908 W912 E913 R919 S920 I921 | L904-V917 HydrophobicContact CB-CG1 4.07Å; L904-V917 HydrophobicContact CD2-CG1 4.21Å; L904-V917 VanDerWaalsContact O-CG1 3.29Å; L904-V917 WeakPolarHBondContact O-CG1 3.19Å; W907-V917 HydrophobicContact CB-CG2 4.39Å; W907-V917 HydrophobicContact CE3-CG2 4.22Å; L908-V917 HydrophobicContact CB-CG1 4.03Å; L908-V917 HydrophobicContact CD1-CG1 4.31Å; W912-V917 WeakPolarHBondContact O-CG2 3.49Å; E913-V917 WeakPolarHBondContact O-CG2 3.25Å; E913-V917 PolarHBondContact O-N 2.83Å; V917-R919 PolarHBondContact O-N 3.25Å; V917-S920 VanDerWaalsContact CA-OG 3.28Å; V917-S920 WeakPolarHBondContact CA-OG 3.49Å; V917-S920 PolarHBondContact O-N 3.46Å; V917-S920 PolarHBondContact O-OG 3.47Å; V917-I921 HydrophobicContact CG1-CD1 3.86Å; V917-I921 HydrophobicContact CG1-CG1 4.45Å; V917-I921 WeakPolarHBondContact O-CB 3.1Å; V917-I921 WeakPolarHBondContact O-CG1 3.49Å; V917-I921 PolarHBondContact O-N 3.42Å |
| 918 | G | 88.1 | Confident | 87.1 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 22% | 0.216 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I914 R922 | I914-G918 WeakPolarHBondContact O-CA 3.37Å; I914-G918 PolarHBondContact O-N 2.94Å; G918-R922 WeakPolarHBondContact O-CB 3.06Å; G918-R922 PolarHBondContact O-N 3.2Å |
| 919 | R | 85.2 | Confident | 86.8 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 177.4 | -176.1 | 172.9 | -177.9 | 178.8 | -4.2 | 112.4 | S141 S143 E886 E915 L916 V917 R922 H923 | S141-R919 PolarHBondContact O-NH1 2.64Å; S141-R919 VanDerWaalsContact O-NH1 3.16Å; S143-R919 VanDerWaalsContact CB-NH1 3.26Å; E886-R919 IonicContact OE1-CZ 3.61Å; E886-R919 VanDerWaalsContact OE1-CZ 3.24Å; E886-R919 IonicContact OE1-NE 2.89Å; E886-R919 PolarHBondContact OE1-NE 3.26Å; E886-R919 IonicContact OE1-NH2 2.94Å; E886-R919 PolarHBondContact OE1-NH2 2.93Å; E915-R919 WeakPolarHBondContact O-CB 3.22Å; E915-R919 PolarHBondContact O-N 3.22Å; L916-R919 PolarHBondContact O-N 2.95Å; V917-R919 PolarHBondContact O-N 3.25Å; R919-R922 PolarHBondContact O-N 3.42Å; R919-H923 WeakPolarHBondContact O-CB 3.26Å; R919-H923 PolarHBondContact O-N 2.82Å |
| 920 | S | 87.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.6 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | L889 L916 V917 R922 H923 L924 | L889-S920 VanDerWaalsContact CD1-CB 3.47Å; L916-S920 WeakPolarHBondContact O-CB 3.43Å; L916-S920 PolarHBondContact O-N 2.95Å; L916-S920 PolarHBondContact O-OG 3.07Å; V917-S920 VanDerWaalsContact CA-OG 3.28Å; V917-S920 WeakPolarHBondContact CA-OG 3.49Å; V917-S920 PolarHBondContact O-N 3.46Å; V917-S920 PolarHBondContact O-OG 3.47Å; S920-R922 PolarHBondContact O-N 2.8Å; S920-H923 PolarHBondContact O-N 2.94Å; S920-L924 WeakPolarHBondContact O-CB 3.3Å; S920-L924 VanDerWaalsContact O-CG 3.28Å; S920-L924 WeakPolarHBondContact O-CG 3.37Å; S920-L924 PolarHBondContact O-N 2.76Å |
| 921 | I | 91.2 | Very high | 86.3 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 172.4 | -67.7 | 167.6 | 0 | 0 | 0 | 110.7 | L904 L908 V917 H923 L924 V925 | L904-I921 HydrophobicContact CB-CD1 3.84Å; L904-I921 HydrophobicContact CB-CG1 3.63Å; L904-I921 HydrophobicContact CD1-CG1 3.88Å; L904-I921 HydrophobicContact CG-CG1 4.38Å; L908-I921 HydrophobicContact CD2-CD1 4.08Å; V917-I921 HydrophobicContact CG1-CD1 3.86Å; V917-I921 HydrophobicContact CG1-CG1 4.45Å; V917-I921 WeakPolarHBondContact O-CB 3.1Å; V917-I921 WeakPolarHBondContact O-CG1 3.49Å; V917-I921 PolarHBondContact O-N 3.42Å; I921-H923 VanDerWaalsContact C-N 3.31Å; I921-H923 PolarHBondContact O-N 3.45Å; I921-L924 PolarHBondContact O-N 2.95Å; I921-V925 HydrophobicContact CG2-CG2 4.23Å; I921-V925 WeakPolarHBondContact O-CB 3.21Å; I921-V925 VanDerWaalsContact O-CG2 3.23Å; I921-V925 WeakPolarHBondContact O-CG2 3.39Å; I921-V925 PolarHBondContact O-N 2.85Å |
| 922 | R | 87.9 | Confident | 86.2 | Confident | 137 Ų | 137 | 49.6 Ų | 49.6 | 52% | 0.517 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56 | -49.2 | 178.8 | -178.4 | -177.2 | 65.6 | 84.5 | 2.3 | 110.6 | E886 G918 R919 S920 V925 T926 | E886-R922 IonicContact OE1-NH2 3.72Å; G918-R922 WeakPolarHBondContact O-CB 3.06Å; G918-R922 PolarHBondContact O-N 3.2Å; R919-R922 PolarHBondContact O-N 3.42Å; S920-R922 PolarHBondContact O-N 2.8Å; R922-V925 PolarHBondContact O-N 3.18Å; R922-T926 VanDerWaalsContact O-CG2 3.32Å; R922-T926 WeakPolarHBondContact O-CG2 3.16Å; R922-T926 PolarHBondContact O-N 2.84Å; R922-T926 PolarHBondContact O-OG1 2.82Å |
| 923 | H | 84.6 | Confident | 86.2 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -48.3 | -176.4 | -171.9 | 66.1 | 0 | 0 | 0 | 112.5 | E886 R919 S920 I921 V925 T926 L927 | E886-H923 WeakPolarHBondContact CA-NE2 3.21Å; E886-H923 PolarHBondContact O-NE2 2.78Å; E886-H923 IonicContact OE2-ND1 2.97Å; R919-H923 WeakPolarHBondContact O-CB 3.26Å; R919-H923 PolarHBondContact O-N 2.82Å; S920-H923 PolarHBondContact O-N 2.94Å; I921-H923 VanDerWaalsContact C-N 3.31Å; I921-H923 PolarHBondContact O-N 3.45Å; H923-V925 VanDerWaalsContact C-N 3.35Å; H923-V925 PolarHBondContact O-N 2.87Å; H923-T926 WeakPolarHBondContact CA-OG1 3.22Å; H923-T926 PolarHBondContact O-N 2.75Å; H923-T926 PolarHBondContact O-OG1 3.41Å; H923-L927 WeakPolarHBondContact NE2-CD1 3.3Å; H923-L927 WeakPolarHBondContact O-CG 3.49Å; H923-L927 PolarHBondContact O-N 2.88Å |
| 924 | L | 88.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 178.3 | -70.4 | 171.6 | 0 | 0 | 0 | 112.2 | L889 V897 L900 L901 L904 S920 I921 H928 | L889-L924 HydrophobicContact CB-CD2 4.13Å; V897-L924 HydrophobicContact CG1-CD2 4.47Å; V897-L924 HydrophobicContact CG2-CD2 4.02Å; L900-L924 HydrophobicContact CD2-CD1 3.67Å; L900-L924 HydrophobicContact CG-CD1 4.39Å; L901-L924 HydrophobicContact CD2-CB 4.26Å; L901-L924 HydrophobicContact CD2-CD1 4.42Å; L904-L924 HydrophobicContact CD1-CD1 3.88Å; S920-L924 WeakPolarHBondContact O-CB 3.3Å; S920-L924 VanDerWaalsContact O-CG 3.28Å; S920-L924 WeakPolarHBondContact O-CG 3.37Å; S920-L924 PolarHBondContact O-N 2.76Å; I921-L924 PolarHBondContact O-N 2.95Å; L924-H928 WeakPolarHBondContact O-CB 3.45Å; L924-H928 PolarHBondContact O-CD2 3.39Å; L924-H928 PolarHBondContact O-N 2.74Å |
| 925 | V | 88.3 | Confident | 86.4 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L901 I921 R922 H923 F929 V932 | L901-V925 HydrophobicContact CD2-CG2 4.18Å; I921-V925 HydrophobicContact CG2-CG2 4.23Å; I921-V925 WeakPolarHBondContact O-CB 3.21Å; I921-V925 VanDerWaalsContact O-CG2 3.23Å; I921-V925 WeakPolarHBondContact O-CG2 3.39Å; I921-V925 PolarHBondContact O-N 2.85Å; R922-V925 PolarHBondContact O-N 3.18Å; H923-V925 VanDerWaalsContact C-N 3.35Å; H923-V925 PolarHBondContact O-N 2.87Å; V925-F929 WeakPolarHBondContact O-CA 3.47Å; V925-F929 PolarHBondContact O-N 2.87Å; V925-V932 HydrophobicContact CG2-CG2 4.48Å |
| 926 | T | 86.6 | Confident | 86.7 | Confident | 85 Ų | 85 | 48.8 Ų | 48.8 | 52% | 0.521 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70 | -40.2 | 176.6 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | R922 H923 | R922-T926 VanDerWaalsContact O-CG2 3.32Å; R922-T926 WeakPolarHBondContact O-CG2 3.16Å; R922-T926 PolarHBondContact O-N 2.84Å; R922-T926 PolarHBondContact O-OG1 2.82Å; H923-T926 WeakPolarHBondContact CA-OG1 3.22Å; H923-T926 PolarHBondContact O-N 2.75Å; H923-T926 PolarHBondContact O-OG1 3.41Å |
| 927 | L | 82.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.3 | -47.8 | 178.5 | -73.4 | -177.2 | 0 | 0 | 0 | 111.7 | G890 H923 F929 | G890-L927 VanDerWaalsContact CA-CD1 3.5Å; H923-L927 WeakPolarHBondContact NE2-CD1 3.3Å; H923-L927 WeakPolarHBondContact O-CG 3.49Å; H923-L927 PolarHBondContact O-N 2.88Å; L927-F929 VanDerWaalsContact C-N 3.31Å; L927-F929 PolarHBondContact O-N 2.85Å |
| 928 | H | 83.4 | Confident | 86.7 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 15% | 0.148 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 35.9 | -176.5 | -60.1 | -70.4 | 0 | 0 | 0 | 112.5 | L924 G930 L931 V932 | L924-H928 WeakPolarHBondContact O-CB 3.45Å; L924-H928 PolarHBondContact O-CD2 3.39Å; L924-H928 PolarHBondContact O-N 2.74Å; H928-G930 VanDerWaalsContact C-N 3.26Å; H928-G930 PolarHBondContact O-N 2.93Å; H928-L931 HydrophobicContact CB-CB 4.14Å; H928-L931 PolarHBondContact O-N 2.87Å; H928-V932 WeakPolarHBondContact O-CG2 3.44Å; H928-V932 PolarHBondContact O-N 2.78Å |
| 929 | F | 85.9 | Confident | 86.7 | Confident | 131 Ų | 131 | 62.5 Ų | 62.5 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -54 | -42.7 | -178.1 | -178.9 | -111.2 | 0 | 0 | 0 | 112.2 | V925 L927 L931 V932 I933 | V925-F929 WeakPolarHBondContact O-CA 3.47Å; V925-F929 PolarHBondContact O-N 2.87Å; L927-F929 VanDerWaalsContact C-N 3.31Å; L927-F929 PolarHBondContact O-N 2.85Å; F929-L931 PolarHBondContact O-N 2.94Å; F929-V932 PolarHBondContact O-N 2.78Å; F929-I933 HydrophobicContact CD1-CD1 3.69Å; F929-I933 HydrophobicContact CD2-CD1 4.21Å; F929-I933 HydrophobicContact CE1-CD1 3.27Å; F929-I933 HydrophobicContact CE2-CD1 3.84Å; F929-I933 HydrophobicContact CE2-CG1 4.4Å; F929-I933 HydrophobicContact CG-CD1 4.16Å; F929-I933 HydrophobicContact CZ-CD1 3.37Å; F929-I933 HydrophobicContact CZ-CG1 4.36Å; F929-I933 WeakPolarHBondContact O-CG1 3.41Å; F929-I933 PolarHBondContact O-N 2.9Å; F929-I933 VanDerWaalsContact O-N 3.09Å |
| 930 | G | 85.2 | Confident | 86.9 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.1 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | H928 S934 | H928-G930 VanDerWaalsContact C-N 3.26Å; H928-G930 PolarHBondContact O-N 2.93Å; G930-S934 PolarHBondContact O-N 2.9Å; G930-S934 PolarHBondContact O-OG 3.46Å |
| 931 | L | 84.9 | Confident | 87 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.8 | -39.2 | 176.8 | -176.2 | 128.3 | 0 | 0 | 0 | 111.5 | R898 H928 F929 I933 S934 C935 L938 | R898-L931 HydrophobicContact CG-CD2 3.94Å; H928-L931 HydrophobicContact CB-CB 4.14Å; H928-L931 PolarHBondContact O-N 2.87Å; F929-L931 PolarHBondContact O-N 2.94Å; L931-I933 VanDerWaalsContact C-N 3.3Å; L931-I933 PolarHBondContact O-N 2.81Å; L931-S934 WeakPolarHBondContact CA-OG 3.33Å; L931-S934 PolarHBondContact O-N 2.9Å; L931-S934 PolarHBondContact O-OG 2.94Å; L931-C935 WeakPolarHBondContact O-CB 3.47Å; L931-C935 PolarHBondContact O-N 3.11Å; L931-C935 PolarHBondContact O-SG 3.22Å; L931-L938 HydrophobicContact CD2-CD1 3.86Å |
| 932 | V | 85.4 | Confident | 87 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 177 | 166.6 | 0 | 0 | 0 | 0 | 111.7 | L901 V925 H928 F929 L938 I942 | L901-V932 HydrophobicContact CD1-CG2 4.36Å; V925-V932 HydrophobicContact CG2-CG2 4.48Å; H928-V932 WeakPolarHBondContact O-CG2 3.44Å; H928-V932 PolarHBondContact O-N 2.78Å; F929-V932 PolarHBondContact O-N 2.78Å; V932-L938 HydrophobicContact CG2-CD1 4.31Å; V932-I942 HydrophobicContact CB-CD1 4.45Å; V932-I942 HydrophobicContact CG1-CD1 3.25Å; V932-I942 HydrophobicContact CG2-CD1 4.49Å |
| 933 | I | 88.7 | Confident | 87.1 | Confident | 115 Ų | 115 | 67.4 Ų | 67.4 | 59% | 0.59 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.8 | -36.8 | 177 | -70.7 | 166 | 0 | 0 | 0 | 111.9 | F929 L931 | F929-I933 HydrophobicContact CD1-CD1 3.69Å; F929-I933 HydrophobicContact CD2-CD1 4.21Å; F929-I933 HydrophobicContact CE1-CD1 3.27Å; F929-I933 HydrophobicContact CE2-CD1 3.84Å; F929-I933 HydrophobicContact CE2-CG1 4.4Å; F929-I933 HydrophobicContact CG-CD1 4.16Å; F929-I933 HydrophobicContact CZ-CD1 3.37Å; F929-I933 HydrophobicContact CZ-CG1 4.36Å; F929-I933 WeakPolarHBondContact O-CG1 3.41Å; F929-I933 PolarHBondContact O-N 2.9Å; F929-I933 VanDerWaalsContact O-N 3.09Å; L931-I933 VanDerWaalsContact C-N 3.3Å; L931-I933 PolarHBondContact O-N 2.81Å |
| 934 | S | 88.7 | Confident | 87.5 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -82.4 | -32.1 | -174.4 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | G930 L931 S936 | G930-S934 PolarHBondContact O-N 2.9Å; G930-S934 PolarHBondContact O-OG 3.46Å; L931-S934 WeakPolarHBondContact CA-OG 3.33Å; L931-S934 PolarHBondContact O-N 2.9Å; L931-S934 PolarHBondContact O-OG 2.94Å; S934-S936 PolarHBondContact O-N 3.44Å |
| 935 | C | 86.8 | Confident | 87.6 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | trans | -86.6 | 112.3 | -176.5 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | L931 E937 L938 | L931-C935 WeakPolarHBondContact O-CB 3.47Å; L931-C935 PolarHBondContact O-N 3.11Å; L931-C935 PolarHBondContact O-SG 3.22Å; C935-E937 VanDerWaalsContact C-N 3.29Å; C935-E937 PolarHBondContact O-N 2.83Å; C935-L938 HydrophobicContact CB-CD1 3.96Å; C935-L938 HydrophobicContact CB-CG 4.1Å; C935-L938 PolarHBondContact O-N 2.78Å | ||
| 936 | S | 88 | Confident | 87.7 | Confident | 101 Ų | 101 | 72 Ų | 72 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.2 | 177.3 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | S934 L938 R939 | S934-S936 PolarHBondContact O-N 3.44Å; S936-L938 VanDerWaalsContact C-N 3.28Å; S936-L938 PolarHBondContact O-N 2.86Å; S936-R939 VanDerWaalsContact O-CB 3.23Å; S936-R939 WeakPolarHBondContact O-CB 3.26Å; S936-R939 PolarHBondContact O-N 3.1Å |
| 937 | E | 85 | Confident | 88 | Confident | 159 Ų | 159 | 74.6 Ų | 74.6 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.4 | -178.5 | -62.9 | 176.3 | -179.7 | 0 | 0 | 113 | C935 R939 | C935-E937 VanDerWaalsContact C-N 3.29Å; C935-E937 PolarHBondContact O-N 2.83Å; E937-R939 VanDerWaalsContact C-N 3.27Å; E937-R939 PolarHBondContact O-N 3.26Å |
| 938 | L | 87.4 | Confident | 88.4 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -77.2 | -14.6 | -179.5 | -66.2 | 178.3 | 0 | 0 | 0 | 113 | L901 L931 V932 C935 S936 D940 A941 I942 | L901-L938 HydrophobicContact CB-CD2 4.03Å; L901-L938 HydrophobicContact CD1-CD1 3.99Å; L901-L938 HydrophobicContact CD1-CD2 3.98Å; L931-L938 HydrophobicContact CD2-CD1 3.86Å; V932-L938 HydrophobicContact CG2-CD1 4.31Å; C935-L938 HydrophobicContact CB-CD1 3.96Å; C935-L938 HydrophobicContact CB-CG 4.1Å; C935-L938 PolarHBondContact O-N 2.78Å; S936-L938 VanDerWaalsContact C-N 3.28Å; S936-L938 PolarHBondContact O-N 2.86Å; L938-D940 VanDerWaalsContact C-N 3.32Å; L938-D940 PolarHBondContact O-N 3.48Å; L938-A941 PolarHBondContact O-N 2.48Å; L938-I942 HydrophobicContact CB-CD1 4.31Å; L938-I942 VanDerWaalsContact O-CG1 3.27Å; L938-I942 WeakPolarHBondContact O-CG1 3.33Å; L938-I942 PolarHBondContact O-N 3.11Å |
| 939 | R | 88.5 | Confident | 88.8 | Confident | 151 Ų | 151 | 77.2 Ų | 77.2 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.5 | -42.9 | -177.2 | -172.6 | -177 | -174.8 | -174.4 | 4.2 | 112.1 | S936 E937 R943 | S936-R939 VanDerWaalsContact O-CB 3.23Å; S936-R939 WeakPolarHBondContact O-CB 3.26Å; S936-R939 PolarHBondContact O-N 3.1Å; E937-R939 VanDerWaalsContact C-N 3.27Å; E937-R939 PolarHBondContact O-N 3.26Å; R939-R943 WeakPolarHBondContact O-CG 3.31Å; R939-R943 PolarHBondContact O-N 3.25Å |
| 940 | D | 89.8 | Confident | 89 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -74.5 | -38.8 | -178.1 | -68.5 | -23 | 0 | 0 | 0 | 111.4 | L938 I942 R943 Q944 | L938-D940 VanDerWaalsContact C-N 3.32Å; L938-D940 PolarHBondContact O-N 3.48Å; D940-I942 VanDerWaalsContact C-N 3.32Å; D940-I942 PolarHBondContact O-N 3.47Å; D940-R943 PolarHBondContact O-N 3.32Å; D940-R943 IonicContact OD1-NH1 2.71Å; D940-Q944 WeakPolarHBondContact O-CB 3.43Å; D940-Q944 PolarHBondContact O-N 3.04Å |
| 941 | A | 89.7 | Confident | 89.3 | Confident | 8 Ų | 8 | 78.2 Ų | 78.2 | 7% | 0.066 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P902 A905 L938 Q944 S945 | P902-A941 HydrophobicContact CB-CB 4.19Å; P902-A941 HydrophobicContact CG-CB 4.03Å; A905-A941 WeakPolarHBondContact CB-O 3.31Å; L938-A941 PolarHBondContact O-N 2.48Å; A941-Q944 PolarHBondContact O-N 3.22Å; A941-S945 WeakPolarHBondContact O-CB 3.36Å; A941-S945 PolarHBondContact O-N 3Å; A941-S945 PolarHBondContact O-OG 3.09Å |
| 942 | I | 90.7 | Very high | 89.6 | Confident | 52 Ų | 52 | 77 Ų | 77 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.9 | -38.2 | 178.1 | -68 | 166.3 | 0 | 0 | 0 | 111.7 | V932 L938 D940 S945 S946 | V932-I942 HydrophobicContact CB-CD1 4.45Å; V932-I942 HydrophobicContact CG1-CD1 3.25Å; V932-I942 HydrophobicContact CG2-CD1 4.49Å; L938-I942 HydrophobicContact CB-CD1 4.31Å; L938-I942 VanDerWaalsContact O-CG1 3.27Å; L938-I942 WeakPolarHBondContact O-CG1 3.33Å; L938-I942 PolarHBondContact O-N 3.11Å; D940-I942 VanDerWaalsContact C-N 3.32Å; D940-I942 PolarHBondContact O-N 3.47Å; I942-S945 WeakPolarHBondContact CA-OG 3.48Å; I942-S945 PolarHBondContact O-N 3.04Å; I942-S945 PolarHBondContact O-OG 2.89Å; I942-S946 VanDerWaalsContact O-CB 3.3Å; I942-S946 WeakPolarHBondContact O-CB 3.13Å; I942-S946 PolarHBondContact O-N 2.77Å |
| 943 | R | 91.4 | Very high | 89.7 | Confident | 137 Ų | 137 | 79.9 Ų | 79.9 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 173.1 | -78.5 | 172.2 | 168.4 | 175.7 | -9.1 | 111.3 | R939 D940 S946 K947 | R939-R943 WeakPolarHBondContact O-CG 3.31Å; R939-R943 PolarHBondContact O-N 3.25Å; D940-R943 PolarHBondContact O-N 3.32Å; D940-R943 IonicContact OD1-NH1 2.71Å; R943-S946 PolarHBondContact O-N 2.93Å; R943-K947 PolarHBondContact O-N 3.21Å |
| 944 | Q | 91.2 | Very high | 89.9 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 176 | -175.5 | 178.7 | 5 | 0 | 0 | 110.9 | A905 D940 A941 S946 K947 A948 | A905-Q944 HydrophobicContact CB-CB 4.48Å; A905-Q944 HydrophobicContact CB-CG 4.49Å; D940-Q944 WeakPolarHBondContact O-CB 3.43Å; D940-Q944 PolarHBondContact O-N 3.04Å; A941-Q944 PolarHBondContact O-N 3.22Å; Q944-S946 PolarHBondContact O-N 3.15Å; Q944-K947 PolarHBondContact O-N 2.97Å; Q944-A948 VanDerWaalsContact O-CB 3.25Å; Q944-A948 WeakPolarHBondContact O-CB 3.32Å; Q944-A948 PolarHBondContact O-N 2.69Å |
| 945 | S | 91 | Very high | 90.1 | Very high | 13 Ų | 13 | 80.7 Ų | 80.7 | 9% | 0.091 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 178.5 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | L908 A941 I942 R949 | L908-S945 WeakPolarHBondContact CD2-O 3.48Å; A941-S945 WeakPolarHBondContact O-CB 3.36Å; A941-S945 PolarHBondContact O-N 3Å; A941-S945 PolarHBondContact O-OG 3.09Å; I942-S945 WeakPolarHBondContact CA-OG 3.48Å; I942-S945 PolarHBondContact O-N 3.04Å; I942-S945 PolarHBondContact O-OG 2.89Å; S945-R949 WeakPolarHBondContact O-CB 3.17Å; S945-R949 PolarHBondContact O-N 3.31Å |
| 946 | S | 90.9 | Very high | 90.1 | Very high | 51 Ų | 51 | 80.9 Ų | 80.9 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | I942 R943 Q944 M950 | I942-S946 VanDerWaalsContact O-CB 3.3Å; I942-S946 WeakPolarHBondContact O-CB 3.13Å; I942-S946 PolarHBondContact O-N 2.77Å; R943-S946 PolarHBondContact O-N 2.93Å; Q944-S946 PolarHBondContact O-N 3.15Å; S946-M950 WeakPolarHBondContact O-CG 3.19Å; S946-M950 PolarHBondContact O-N 3.01Å; S946-M950 VanDerWaalsContact O-N 3.11Å |
| 947 | K | 92.5 | Very high | 90.4 | Very high | 140 Ų | 140 | 83.3 Ų | 83.3 | 61% | 0.609 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66 | -48.8 | 176.4 | -172.9 | -178.4 | 177.1 | -173.6 | 0 | 111.3 | R943 Q944 R949 M950 E951 | R943-K947 PolarHBondContact O-N 3.21Å; Q944-K947 PolarHBondContact O-N 2.97Å; K947-R949 VanDerWaalsContact C-N 3.33Å; K947-R949 PolarHBondContact O-N 3.14Å; K947-M950 PolarHBondContact O-N 3.13Å; K947-E951 WeakPolarHBondContact CE-OE1 3.43Å; K947-E951 PolarHBondContact O-N 3.14Å |
| 948 | A | 91.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 80.8 Ų | 80.8 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L908 Q944 M950 E951 Q952 | L908-A948 HydrophobicContact CB-CB 4.31Å; L908-A948 HydrophobicContact CD2-CB 4.22Å; L908-A948 HydrophobicContact CG-CB 4.08Å; Q944-A948 VanDerWaalsContact O-CB 3.25Å; Q944-A948 WeakPolarHBondContact O-CB 3.32Å; Q944-A948 PolarHBondContact O-N 2.69Å; A948-M950 VanDerWaalsContact C-N 3.35Å; A948-M950 PolarHBondContact O-N 3.46Å; A948-E951 PolarHBondContact O-N 2.91Å; A948-Q952 VanDerWaalsContact O-CG 3.3Å; A948-Q952 WeakPolarHBondContact O-CG 3.49Å; A948-Q952 PolarHBondContact O-N 3.03Å |
| 949 | R | 90.3 | Very high | 91.1 | Very high | 128 Ų | 128 | 85.6 Ų | 85.6 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 175.6 | -172.1 | 175.2 | 60.8 | 167.2 | -1.2 | 111.5 | L908 S945 K947 Q952 L953 | L908-R949 HydrophobicContact CD2-CB 3.87Å; S945-R949 WeakPolarHBondContact O-CB 3.17Å; S945-R949 PolarHBondContact O-N 3.31Å; K947-R949 VanDerWaalsContact C-N 3.33Å; K947-R949 PolarHBondContact O-N 3.14Å; R949-Q952 PolarHBondContact O-N 3.04Å; R949-L953 HydrophobicContact CG-CD1 3.76Å; R949-L953 HydrophobicContact CG-CG 4.19Å; R949-L953 VanDerWaalsContact O-CB 3.23Å; R949-L953 WeakPolarHBondContact O-CB 3.07Å; R949-L953 WeakPolarHBondContact O-CG 3.46Å; R949-L953 PolarHBondContact O-N 2.87Å |
| 950 | M | 91.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 83.6 Ų | 83.6 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.9 | -45.4 | 178.4 | -75.8 | -75.3 | -83.3 | 0 | 0 | 111.6 | S946 K947 A948 L953 V954 | S946-M950 WeakPolarHBondContact O-CG 3.19Å; S946-M950 PolarHBondContact O-N 3.01Å; S946-M950 VanDerWaalsContact O-N 3.11Å; K947-M950 PolarHBondContact O-N 3.13Å; A948-M950 VanDerWaalsContact C-N 3.35Å; A948-M950 PolarHBondContact O-N 3.46Å; M950-L953 PolarHBondContact O-N 3.04Å; M950-V954 WeakPolarHBondContact O-CB 3.31Å; M950-V954 VanDerWaalsContact O-CG2 3.23Å; M950-V954 WeakPolarHBondContact O-CG2 3.48Å; M950-V954 PolarHBondContact O-N 2.86Å |
| 951 | E | 92.1 | Very high | 91.4 | Very high | 85 Ų | 85 | 80.3 Ų | 80.3 | 40% | 0.397 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 178.1 | -70.7 | 175.7 | -168.1 | 0 | 0 | 112.1 | K947 A948 V954 R955 | K947-E951 WeakPolarHBondContact CE-OE1 3.43Å; K947-E951 PolarHBondContact O-N 3.14Å; A948-E951 PolarHBondContact O-N 2.91Å; E951-V954 PolarHBondContact O-N 3.07Å; E951-R955 WeakPolarHBondContact O-CG 3.3Å; E951-R955 PolarHBondContact O-N 2.88Å |
| 952 | Q | 90.4 | Very high | 91.7 | Very high | 12 Ų | 12 | 86.8 Ų | 86.8 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 179.1 | -62.3 | -60.4 | -3.8 | 0 | 0 | 112.3 | L908 S909 I914 A948 R949 V954 R955 A956 | L908-Q952 WeakPolarHBondContact O-CG 3.39Å; L908-Q952 PolarHBondContact O-NE2 3.47Å; S909-Q952 PolarHBondContact O-NE2 2.56Å; I914-Q952 HydrophobicContact CD1-CB 4.09Å; I914-Q952 HydrophobicContact CD1-CG 4.43Å; I914-Q952 HydrophobicContact CG1-CB 4.41Å; I914-Q952 HydrophobicContact CG2-CB 4.27Å; A948-Q952 VanDerWaalsContact O-CG 3.3Å; A948-Q952 WeakPolarHBondContact O-CG 3.49Å; A948-Q952 PolarHBondContact O-N 3.03Å; R949-Q952 PolarHBondContact O-N 3.04Å; Q952-V954 VanDerWaalsContact C-N 3.33Å; Q952-V954 PolarHBondContact O-N 2.73Å; Q952-R955 VanDerWaalsContact NE2-NH1 3.18Å; Q952-R955 PolarHBondContact O-N 3.16Å; Q952-A956 WeakPolarHBondContact O-CB 3.28Å; Q952-A956 PolarHBondContact O-N 2.51Å |
| 953 | L | 88.3 | Confident | 92 | Very high | 84 Ų | 84 | 88.5 Ų | 88.5 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 173.9 | -77 | 173.9 | 0 | 0 | 0 | 111.7 | R949 M950 A956 K957 | R949-L953 HydrophobicContact CG-CD1 3.76Å; R949-L953 HydrophobicContact CG-CG 4.19Å; R949-L953 VanDerWaalsContact O-CB 3.23Å; R949-L953 WeakPolarHBondContact O-CB 3.07Å; R949-L953 WeakPolarHBondContact O-CG 3.46Å; R949-L953 PolarHBondContact O-N 2.87Å; M950-L953 PolarHBondContact O-N 3.04Å; L953-A956 PolarHBondContact O-N 3.34Å; L953-K957 WeakPolarHBondContact O-CB 3.39Å; L953-K957 PolarHBondContact O-N 3.17Å |
| 954 | V | 92.6 | Very high | 92.1 | Very high | 78 Ų | 78 | 86.2 Ų | 86.2 | 47% | 0.473 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | M950 E951 Q952 K957 N958 | M950-V954 WeakPolarHBondContact O-CB 3.31Å; M950-V954 VanDerWaalsContact O-CG2 3.23Å; M950-V954 WeakPolarHBondContact O-CG2 3.48Å; M950-V954 PolarHBondContact O-N 2.86Å; E951-V954 PolarHBondContact O-N 3.07Å; Q952-V954 VanDerWaalsContact C-N 3.33Å; Q952-V954 PolarHBondContact O-N 2.73Å; V954-K957 PolarHBondContact O-N 3.03Å; V954-N958 WeakPolarHBondContact O-CB 3.25Å; V954-N958 PolarHBondContact O-N 2.82Å; V954-N958 PolarHBondContact O-ND2 3.15Å; V954-N958 PolarHBondContact O-OD1 3.01Å |
| 955 | R | 91.2 | Very high | 92.1 | Very high | 144 Ų | 144 | 84.5 Ų | 84.5 | 54% | 0.543 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.2 | -72.3 | 177.6 | -174.3 | 153.3 | 2.6 | 112.3 | E951 Q952 N958 L959 | E951-R955 WeakPolarHBondContact O-CG 3.3Å; E951-R955 PolarHBondContact O-N 2.88Å; Q952-R955 VanDerWaalsContact NE2-NH1 3.18Å; Q952-R955 PolarHBondContact O-N 3.16Å; R955-N958 PolarHBondContact O-N 2.89Å; R955-L959 PolarHBondContact O-N 2.9Å |
| 956 | A | 88.3 | Confident | 92.4 | Very high | 34 Ų | 34 | 85.4 Ų | 85.4 | 28% | 0.281 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q952 L953 N958 L959 I960 | Q952-A956 WeakPolarHBondContact O-CB 3.28Å; Q952-A956 PolarHBondContact O-N 2.51Å; L953-A956 PolarHBondContact O-N 3.34Å; A956-N958 VanDerWaalsContact C-N 3.34Å; A956-N958 PolarHBondContact O-N 2.81Å; A956-L959 PolarHBondContact O-N 3.22Å; A956-I960 WeakPolarHBondContact O-CB 3.39Å; A956-I960 VanDerWaalsContact O-CG1 3.24Å; A956-I960 WeakPolarHBondContact O-CG1 3.24Å; A956-I960 PolarHBondContact O-N 2.92Å |
| 957 | K | 93.2 | Very high | 92.4 | Very high | 152 Ų | 152 | 88.5 Ų | 88.5 | 66% | 0.661 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.9 | -43.2 | 174.9 | -178.7 | -177.3 | 177.5 | -177.4 | 0 | 111.6 | L953 V954 G961 | L953-K957 WeakPolarHBondContact O-CB 3.39Å; L953-K957 PolarHBondContact O-N 3.17Å; V954-K957 PolarHBondContact O-N 3.03Å; K957-G961 WeakPolarHBondContact O-CA 3.29Å; K957-G961 PolarHBondContact O-N 2.87Å |
| 958 | N | 94.3 | Very high | 92.4 | Very high | 106 Ų | 106 | 86.9 Ų | 86.9 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 178 | -69.4 | -12.4 | 0 | 0 | 0 | 111.3 | V954 R955 A956 G961 M962 | V954-N958 WeakPolarHBondContact O-CB 3.25Å; V954-N958 PolarHBondContact O-N 2.82Å; V954-N958 PolarHBondContact O-ND2 3.15Å; V954-N958 PolarHBondContact O-OD1 3.01Å; R955-N958 PolarHBondContact O-N 2.89Å; A956-N958 VanDerWaalsContact C-N 3.34Å; A956-N958 PolarHBondContact O-N 2.81Å; N958-G961 PolarHBondContact O-N 2.8Å; N958-M962 WeakPolarHBondContact O-CB 3.46Å; N958-M962 PolarHBondContact O-N 3.11Å |
| 959 | L | 93.3 | Very high | 92.3 | Very high | 106 Ų | 106 | 89 Ų | 89 | 56% | 0.555 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.6 | -48.4 | 175.7 | -177 | 67.9 | 0 | 0 | 0 | 111.8 | R955 A956 G961 M962 N963 | R955-L959 PolarHBondContact O-N 2.9Å; A956-L959 PolarHBondContact O-N 3.22Å; L959-G961 VanDerWaalsContact C-N 3.32Å; L959-G961 PolarHBondContact O-N 2.81Å; L959-M962 PolarHBondContact O-N 2.91Å; L959-N963 WeakPolarHBondContact O-CB 3.2Å; L959-N963 PolarHBondContact O-N 2.91Å; L959-N963 PolarHBondContact O-OD1 2.9Å |
| 960 | I | 92.1 | Very high | 92.4 | Very high | 108 Ų | 108 | 87.6 Ų | 87.6 | 55% | 0.554 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 177 | -66.9 | 165.9 | 0 | 0 | 0 | 110.1 | A956 N963 L964 | A956-I960 WeakPolarHBondContact O-CB 3.39Å; A956-I960 VanDerWaalsContact O-CG1 3.24Å; A956-I960 WeakPolarHBondContact O-CG1 3.24Å; A956-I960 PolarHBondContact O-N 2.92Å; I960-N963 PolarHBondContact O-N 3.18Å; I960-L964 VanDerWaalsContact O-CB 3.22Å; I960-L964 WeakPolarHBondContact O-CB 3.28Å; I960-L964 PolarHBondContact O-N 2.91Å |
| 961 | G | 93.4 | Very high | 92.2 | Very high | 37 Ų | 37 | 83.9 Ų | 83.9 | 38% | 0.381 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K957 N958 L959 A965 | K957-G961 WeakPolarHBondContact O-CA 3.29Å; K957-G961 PolarHBondContact O-N 2.87Å; N958-G961 PolarHBondContact O-N 2.8Å; L959-G961 VanDerWaalsContact C-N 3.32Å; L959-G961 PolarHBondContact O-N 2.81Å; G961-A965 VanDerWaalsContact O-CB 3.28Å; G961-A965 WeakPolarHBondContact O-CB 3.1Å; G961-A965 PolarHBondContact O-N 3.4Å |
| 962 | M | 96 | Very high | 91.8 | Very high | 144 Ų | 144 | 86.6 Ų | 86.6 | 71% | 0.709 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 174.3 | -173.8 | 175 | -179 | 0 | 0 | 111.7 | N958 L959 G966 | N958-M962 WeakPolarHBondContact O-CB 3.46Å; N958-M962 PolarHBondContact O-N 3.11Å; L959-M962 PolarHBondContact O-N 2.91Å; M962-G966 PolarHBondContact O-N 3.12Å |
| 963 | N | 95.4 | Very high | 91.7 | Very high | 87 Ų | 87 | 91.4 Ų | 91.4 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 177.9 | -70.5 | -10 | 0 | 0 | 0 | 112 | L959 I960 G966 L967 | L959-N963 WeakPolarHBondContact O-CB 3.2Å; L959-N963 PolarHBondContact O-N 2.91Å; L959-N963 PolarHBondContact O-OD1 2.9Å; I960-N963 PolarHBondContact O-N 3.18Å; N963-G966 CarbonylContact O-C 3.58Å; N963-G966 WeakPolarHBondContact O-CA 3.44Å; N963-G966 PolarHBondContact O-N 2.87Å; N963-L967 WeakPolarHBondContact O-CB 3.41Å; N963-L967 WeakPolarHBondContact O-CG 3.24Å; N963-L967 PolarHBondContact O-N 2.99Å |
| 964 | L | 93.2 | Very high | 91.5 | Very high | 89 Ų | 89 | 92.2 Ų | 92.2 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 177.6 | -175.9 | 149 | 0 | 0 | 0 | 110.5 | I960 G966 L967 E968 | I960-L964 VanDerWaalsContact O-CB 3.22Å; I960-L964 WeakPolarHBondContact O-CB 3.28Å; I960-L964 PolarHBondContact O-N 2.91Å; L964-G966 VanDerWaalsContact C-N 3.25Å; L964-G966 PolarHBondContact O-N 3.48Å; L964-L967 CarbonylContact O-C 3.55Å; L964-L967 PolarHBondContact O-N 3.4Å; L964-L967 VanDerWaalsContact O-N 3.16Å; L964-E968 HydrophobicContact CD2-CG 4.08Å; L964-E968 VanDerWaalsContact CD2-OE1 3.23Å; L964-E968 WeakPolarHBondContact CD2-OE1 3.42Å; L964-E968 WeakPolarHBondContact O-CB 3.29Å; L964-E968 WeakPolarHBondContact O-CG 3.47Å; L964-E968 PolarHBondContact O-N 2.61Å |
| 965 | A | 92.9 | Very high | 91 | Very high | 51 Ų | 51 | 93.5 Ų | 93.5 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | G961 C969 | G961-A965 VanDerWaalsContact O-CB 3.28Å; G961-A965 WeakPolarHBondContact O-CB 3.1Å; G961-A965 PolarHBondContact O-N 3.4Å; A965-C969 VanDerWaalsContact O-CB 3.32Å; A965-C969 WeakPolarHBondContact O-CB 3.3Å; A965-C969 PolarHBondContact O-N 2.81Å |
| 966 | G | 95.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 92 Ų | 92 | 34% | 0.34 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M962 N963 L964 C969 L970 | M962-G966 PolarHBondContact O-N 3.12Å; N963-G966 CarbonylContact O-C 3.58Å; N963-G966 WeakPolarHBondContact O-CA 3.44Å; N963-G966 PolarHBondContact O-N 2.87Å; L964-G966 VanDerWaalsContact C-N 3.25Å; L964-G966 PolarHBondContact O-N 3.48Å; G966-C969 WeakPolarHBondContact O-CB 3.49Å; G966-C969 PolarHBondContact O-N 2.62Å; G966-L970 WeakPolarHBondContact O-CG 3.45Å; G966-L970 PolarHBondContact O-N 2.74Å |
| 967 | L | 92.5 | Very high | 89.9 | Confident | 115 Ų | 115 | 95.6 Ų | 95.6 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.5 | -39.6 | 176.7 | -74.3 | 170.4 | 0 | 0 | 0 | 112 | N963 L964 C969 L970 A971 | N963-L967 WeakPolarHBondContact O-CB 3.41Å; N963-L967 WeakPolarHBondContact O-CG 3.24Å; N963-L967 PolarHBondContact O-N 2.99Å; L964-L967 CarbonylContact O-C 3.55Å; L964-L967 PolarHBondContact O-N 3.4Å; L964-L967 VanDerWaalsContact O-N 3.16Å; L967-C969 VanDerWaalsContact C-N 3.33Å; L967-L970 CarbonylContact O-C 3.58Å; L967-L970 PolarHBondContact O-N 3.08Å; L967-A971 VanDerWaalsContact O-CB 3.24Å; L967-A971 WeakPolarHBondContact O-CB 3.4Å; L967-A971 PolarHBondContact O-N 2.57Å |
| 968 | E | 90.9 | Very high | 88.6 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 173.4 | -75.2 | 179.5 | 168.6 | 0 | 0 | 111.8 | L964 R972 | L964-E968 HydrophobicContact CD2-CG 4.08Å; L964-E968 VanDerWaalsContact CD2-OE1 3.23Å; L964-E968 WeakPolarHBondContact CD2-OE1 3.42Å; L964-E968 WeakPolarHBondContact O-CB 3.29Å; L964-E968 WeakPolarHBondContact O-CG 3.47Å; L964-E968 PolarHBondContact O-N 2.61Å; E968-R972 WeakPolarHBondContact O-CB 3.36Å; E968-R972 WeakPolarHBondContact O-CG 3.49Å; E968-R972 PolarHBondContact O-N 3.36Å; E968-R972 PolarHBondContact O-NE 2.87Å |
| 969 | C | 91 | Very high | 86.7 | Confident | 49 Ų | 49 | 95 Ų | 95 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | A965 G966 L967 K973 | A965-C969 VanDerWaalsContact O-CB 3.32Å; A965-C969 WeakPolarHBondContact O-CB 3.3Å; A965-C969 PolarHBondContact O-N 2.81Å; G966-C969 WeakPolarHBondContact O-CB 3.49Å; G966-C969 PolarHBondContact O-N 2.62Å; L967-C969 VanDerWaalsContact C-N 3.33Å; C969-K973 WeakPolarHBondContact O-CB 3.29Å; C969-K973 VanDerWaalsContact O-CG 3.31Å; C969-K973 WeakPolarHBondContact O-CG 3.28Å; C969-K973 PolarHBondContact O-N 3.43Å |
| 970 | L | 91.3 | Very high | 84.6 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.2 | -72 | 172.5 | 0 | 0 | 0 | 112.6 | G966 L967 K973 L974 | G966-L970 WeakPolarHBondContact O-CG 3.45Å; G966-L970 PolarHBondContact O-N 2.74Å; L967-L970 CarbonylContact O-C 3.58Å; L967-L970 PolarHBondContact O-N 3.08Å; L970-K973 PolarHBondContact O-N 2.87Å; L970-L974 WeakPolarHBondContact O-CB 3.43Å; L970-L974 WeakPolarHBondContact O-CG 3.04Å; L970-L974 PolarHBondContact O-N 3.36Å |
| 971 | A | 87.5 | Confident | 82.5 | Confident | 42 Ų | 42 | 97 Ų | 97 | 35% | 0.347 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L967 K973 L974 E975 | L967-A971 VanDerWaalsContact O-CB 3.24Å; L967-A971 WeakPolarHBondContact O-CB 3.4Å; L967-A971 PolarHBondContact O-N 2.57Å; A971-K973 PolarHBondContact O-N 2.74Å; A971-L974 CarbonylContact O-C 3.52Å; A971-L974 WeakPolarHBondContact O-CB 3.32Å; A971-L974 PolarHBondContact O-N 2.95Å; A971-L974 VanDerWaalsContact O-N 3.13Å; A971-E975 WeakPolarHBondContact O-CB 3.43Å; A971-E975 WeakPolarHBondContact O-CG 3.29Å; A971-E975 PolarHBondContact O-N 2.8Å |
| 972 | R | 85.4 | Confident | 80.3 | Confident | 142 Ų | 142 | 100.7 Ų | 100.7 | 54% | 0.536 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 172.7 | -79.1 | -176 | -72.2 | 156.9 | -7.6 | 112.5 | E968 L974 E975 E976 | E968-R972 WeakPolarHBondContact O-CB 3.36Å; E968-R972 WeakPolarHBondContact O-CG 3.49Å; E968-R972 PolarHBondContact O-N 3.36Å; E968-R972 PolarHBondContact O-NE 2.87Å; R972-L974 VanDerWaalsContact C-N 3.3Å; R972-L974 PolarHBondContact O-N 3.13Å; R972-E975 PolarHBondContact O-N 3.37Å; R972-E976 WeakPolarHBondContact O-CB 3.48Å; R972-E976 VanDerWaalsContact O-CG 3.29Å; R972-E976 WeakPolarHBondContact O-CG 3.36Å; R972-E976 PolarHBondContact O-N 3.09Å |
| 973 | K | 88.3 | Confident | 77.7 | Confident | 113 Ų | 113 | 99.8 Ų | 99.8 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 174.9 | -76.1 | 178.8 | 178.3 | -175.1 | 0 | 112.8 | C969 L970 A971 N977 | C969-K973 WeakPolarHBondContact O-CB 3.29Å; C969-K973 VanDerWaalsContact O-CG 3.31Å; C969-K973 WeakPolarHBondContact O-CG 3.28Å; C969-K973 PolarHBondContact O-N 3.43Å; L970-K973 PolarHBondContact O-N 2.87Å; A971-K973 PolarHBondContact O-N 2.74Å; K973-N977 WeakPolarHBondContact O-CB 3.38Å; K973-N977 PolarHBondContact O-N 2.78Å; K973-N977 PolarHBondContact O-ND2 3.05Å |
| 974 | L | 83.3 | Confident | 75.6 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 174.9 | -83.7 | 165.3 | 0 | 0 | 0 | 111.5 | L970 A971 R972 N977 Q978 | L970-L974 WeakPolarHBondContact O-CB 3.43Å; L970-L974 WeakPolarHBondContact O-CG 3.04Å; L970-L974 PolarHBondContact O-N 3.36Å; A971-L974 CarbonylContact O-C 3.52Å; A971-L974 WeakPolarHBondContact O-CB 3.32Å; A971-L974 PolarHBondContact O-N 2.95Å; A971-L974 VanDerWaalsContact O-N 3.13Å; R972-L974 VanDerWaalsContact C-N 3.3Å; R972-L974 PolarHBondContact O-N 3.13Å; L974-N977 PolarHBondContact O-N 2.83Å; L974-Q978 WeakPolarHBondContact O-CB 3.22Å; L974-Q978 VanDerWaalsContact O-CG 3.24Å; L974-Q978 WeakPolarHBondContact O-CG 3.21Å; L974-Q978 PolarHBondContact O-N 2.65Å |
| 975 | E | 81.4 | Confident | 73.5 | Confident | 106 Ų | 106 | 104.9 Ų | 104.9 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 174.5 | -74 | 174 | 179.7 | 0 | 0 | 111.2 | A971 R972 Q978 Q979 | A971-E975 WeakPolarHBondContact O-CB 3.43Å; A971-E975 WeakPolarHBondContact O-CG 3.29Å; A971-E975 PolarHBondContact O-N 2.8Å; R972-E975 PolarHBondContact O-N 3.37Å; E975-Q978 PolarHBondContact O-N 2.78Å; E975-Q979 VanDerWaalsContact O-CB 3.24Å; E975-Q979 WeakPolarHBondContact O-CB 3.09Å; E975-Q979 VanDerWaalsContact O-CG 3.25Å; E975-Q979 WeakPolarHBondContact O-CG 3.5Å; E975-Q979 PolarHBondContact O-N 3.41Å |
| 976 | E | 78.6 | Confident | 71.5 | Confident | 111 Ų | 111 | 107.7 Ų | 107.7 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.9 | -51.1 | 172.6 | -75.3 | 169.4 | -175.7 | 0 | 0 | 110.2 | R972 Q978 Q979 I980 | R972-E976 WeakPolarHBondContact O-CB 3.48Å; R972-E976 VanDerWaalsContact O-CG 3.29Å; R972-E976 WeakPolarHBondContact O-CG 3.36Å; R972-E976 PolarHBondContact O-N 3.09Å; E976-Q978 VanDerWaalsContact C-N 3.28Å; E976-Q978 PolarHBondContact O-N 3.33Å; E976-Q979 PolarHBondContact O-N 2.97Å; E976-I980 WeakPolarHBondContact O-CD1 3.39Å; E976-I980 WeakPolarHBondContact O-CG1 3.28Å; E976-I980 PolarHBondContact O-N 3.46Å |
| 977 | N | 77.6 | Confident | 69.7 | Low | 111 Ų | 111 | 110.3 Ų | 110.3 | 59% | 0.594 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.8 | -32.8 | 177.7 | -71.9 | -18.7 | 0 | 0 | 0 | 113.3 | K973 L974 | K973-N977 WeakPolarHBondContact O-CB 3.38Å; K973-N977 PolarHBondContact O-N 2.78Å; K973-N977 PolarHBondContact O-ND2 3.05Å; L974-N977 PolarHBondContact O-N 2.83Å |
| 978 | Q | 66.6 | Low | 68 | Low | 133 Ų | 133 | 108.3 Ų | 108.3 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -83.2 | -29.9 | 179 | -74.1 | 177.1 | 4.9 | 0 | 0 | 113.2 | L974 E975 E976 | L974-Q978 WeakPolarHBondContact O-CB 3.22Å; L974-Q978 VanDerWaalsContact O-CG 3.24Å; L974-Q978 WeakPolarHBondContact O-CG 3.21Å; L974-Q978 PolarHBondContact O-N 2.65Å; E975-Q978 PolarHBondContact O-N 2.78Å; E976-Q978 VanDerWaalsContact C-N 3.28Å; E976-Q978 PolarHBondContact O-N 3.33Å |
| 979 | Q | 54.1 | Low | 66.6 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -79.1 | -25.3 | -178.8 | -77.5 | -179.3 | 0.2 | 0 | 0 | 113.1 | E975 E976 D981 F983 | E975-Q979 VanDerWaalsContact O-CB 3.24Å; E975-Q979 WeakPolarHBondContact O-CB 3.09Å; E975-Q979 VanDerWaalsContact O-CG 3.25Å; E975-Q979 WeakPolarHBondContact O-CG 3.5Å; E975-Q979 PolarHBondContact O-N 3.41Å; E976-Q979 PolarHBondContact O-N 2.97Å; Q979-D981 VanDerWaalsContact C-N 3.25Å; Q979-D981 PolarHBondContact O-N 3.06Å; Q979-F983 HydrophobicContact CG-CE2 4.37Å |
| 980 | I | 50.6 | Low | 65.3 | Low | 119 Ų | 119 | 112.5 Ų | 112.5 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -20.8 | -175.6 | -69 | 161 | 0 | 0 | 0 | 113 | E976 | E976-I980 WeakPolarHBondContact O-CD1 3.39Å; E976-I980 WeakPolarHBondContact O-CG1 3.28Å; E976-I980 PolarHBondContact O-N 3.46Å |
| 981 | D | 48.1 | Very low | 64 | Low | 136 Ų | 136 | 111.7 Ų | 111.7 | 73% | 0.727 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -13.2 | -176.5 | -72.9 | -17.4 | 0 | 0 | 0 | 115.5 | Q979 | Q979-D981 VanDerWaalsContact C-N 3.25Å; Q979-D981 PolarHBondContact O-N 3.06Å |
| 982 | L | 45.4 | Very low | 63.2 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 60% | 0.602 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -18.9 | -166.7 | -106.2 | 136.3 | 0 | 0 | 0 | 115.9 | L986 | L982-L986 HydrophobicContact CD2-CD1 4.38Š|
| 983 | F | 43.1 | Very low | 62.4 | Low | 125 Ų | 125 | 119.2 Ų | 119.2 | 55% | 0.548 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -93.4 | -31.8 | -171.7 | -84.8 | -84.9 | 0 | 0 | 0 | 114.8 | Q979 I987 | Q979-F983 HydrophobicContact CG-CE2 4.37Å; F983-I987 HydrophobicContact CB-CD1 4.49Å; F983-I987 HydrophobicContact CD1-CD1 4.26Å; F983-I987 WeakPolarHBondContact O-CD1 3.07Å; F983-I987 VanDerWaalsContact O-CG1 3.28Å; F983-I987 WeakPolarHBondContact O-CG1 3.16Å; F983-I987 PolarHBondContact O-N 2.74Å |
| 984 | D | 50.2 | Low | 61.6 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 70% | 0.695 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.9 | -33.9 | -175.4 | -91.1 | -9.9 | 0 | 0 | 0 | 113.9 | T988 | D984-T988 VanDerWaalsContact O-CG2 3.27Å; D984-T988 WeakPolarHBondContact O-CG2 3.37Å; D984-T988 PolarHBondContact O-OG1 3.36Å |
| 985 | E | 49.2 | Very low | 61.1 | Low | 153 Ų | 153 | 119.9 Ų | 119.9 | 72% | 0.715 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -77.5 | -33 | 179.5 | -71.2 | -164.1 | 151.4 | 0 | 0 | 113.4 | T988 T989 | E985-T988 PolarHBondContact O-OG1 2.82Å; E985-T989 WeakPolarHBondContact O-CB 3.17Å; E985-T989 WeakPolarHBondContact O-CG2 3.25Å; E985-T989 PolarHBondContact O-N 3.26Å; E985-T989 PolarHBondContact O-OG1 3.09Å |
| 986 | L | 50.8 | Low | 60.8 | Low | 110 Ų | 110 | 122.6 Ų | 122.6 | 58% | 0.576 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -81.3 | -33.3 | -176.6 | -78.9 | 169.5 | 0 | 0 | 0 | 113.1 | L982 T989 R990 | L982-L986 HydrophobicContact CD2-CD1 4.38Å; L986-T989 WeakPolarHBondContact CA-OG1 3.5Å; L986-T989 PolarHBondContact O-OG1 3.28Å; L986-T989 VanDerWaalsContact O-OG1 3.13Å; L986-R990 WeakPolarHBondContact O-CB 3.34Å; L986-R990 PolarHBondContact O-N 3.24Å |
| 987 | I | 57.1 | Low | 60.4 | Low | 88 Ų | 88 | 122.9 Ų | 122.9 | 45% | 0.451 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.4 | -44.4 | 177.5 | -64.4 | 170.7 | 0 | 0 | 0 | 110.1 | F983 T989 R990 D991 | F983-I987 HydrophobicContact CB-CD1 4.49Å; F983-I987 HydrophobicContact CD1-CD1 4.26Å; F983-I987 WeakPolarHBondContact O-CD1 3.07Å; F983-I987 VanDerWaalsContact O-CG1 3.28Å; F983-I987 WeakPolarHBondContact O-CG1 3.16Å; F983-I987 PolarHBondContact O-N 2.74Å; I987-T989 VanDerWaalsContact C-N 3.34Å; I987-T989 PolarHBondContact O-N 3.29Å; I987-R990 PolarHBondContact O-N 2.99Å; I987-D991 PolarHBondContact O-N 3.48Å |
| 988 | T | 57.5 | Low | 60.1 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.9 | -33.9 | 179.8 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | D984 E985 K992 | D984-T988 VanDerWaalsContact O-CG2 3.27Å; D984-T988 WeakPolarHBondContact O-CG2 3.37Å; D984-T988 PolarHBondContact O-OG1 3.36Å; E985-T988 PolarHBondContact O-OG1 2.82Å; T988-K992 WeakPolarHBondContact O-CD 3.37Å; T988-K992 VanDerWaalsContact O-CG 3.26Å; T988-K992 WeakPolarHBondContact O-CG 3.37Å; T988-K992 PolarHBondContact O-N 2.94Å |
| 989 | T | 62.5 | Low | 60.3 | Low | 68 Ų | 68 | 120.6 Ų | 120.6 | 42% | 0.417 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -76.8 | -36.2 | 175.5 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | E985 L986 I987 R993 | E985-T989 WeakPolarHBondContact O-CB 3.17Å; E985-T989 WeakPolarHBondContact O-CG2 3.25Å; E985-T989 PolarHBondContact O-N 3.26Å; E985-T989 PolarHBondContact O-OG1 3.09Å; L986-T989 WeakPolarHBondContact CA-OG1 3.5Å; L986-T989 PolarHBondContact O-OG1 3.28Å; L986-T989 VanDerWaalsContact O-OG1 3.13Å; I987-T989 VanDerWaalsContact C-N 3.34Å; I987-T989 PolarHBondContact O-N 3.29Å; T989-R993 WeakPolarHBondContact O-CG 3.49Å; T989-R993 PolarHBondContact O-N 2.77Å; T989-R993 VanDerWaalsContact O-N 3.17Å |
| 990 | R | 62.4 | Low | 61.2 | Low | 175 Ų | 175 | 122.6 Ų | 122.6 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | 176.1 | -174 | 173.6 | 177.9 | 145.4 | -1.7 | 112 | L986 I987 K992 R993 I994 | L986-R990 WeakPolarHBondContact O-CB 3.34Å; L986-R990 PolarHBondContact O-N 3.24Å; I987-R990 PolarHBondContact O-N 2.99Å; R990-K992 PolarHBondContact O-N 3.28Å; R990-R993 PolarHBondContact O-N 3.5Å; R990-R993 VanDerWaalsContact O-N 3.16Å; R990-I994 HydrophobicContact CG-CD1 3.9Å; R990-I994 WeakPolarHBondContact O-CG1 3.3Å; R990-I994 PolarHBondContact O-N 3.14Å |
| 991 | D | 65.3 | Low | 61.6 | Low | 83 Ų | 83 | 122.4 Ų | 122.4 | 44% | 0.444 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.6 | -37.7 | 178.2 | -82.8 | -11.4 | 0 | 0 | 0 | 113 | I987 R993 I994 K995 | I987-D991 PolarHBondContact O-N 3.48Å; D991-R993 VanDerWaalsContact C-N 3.31Å; D991-R993 PolarHBondContact O-N 3.26Å; D991-I994 PolarHBondContact O-N 3.46Å; D991-K995 WeakPolarHBondContact O-CB 3.18Å; D991-K995 WeakPolarHBondContact O-CG 3.13Å; D991-K995 PolarHBondContact O-N 2.92Å |
| 992 | K | 70.7 | Confident | 62.3 | Low | 147 Ų | 147 | 119.7 Ų | 119.7 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.9 | -36.5 | 172.7 | -74.5 | 173 | -176.1 | 173 | 0 | 111.9 | T988 R990 K996 | T988-K992 WeakPolarHBondContact O-CD 3.37Å; T988-K992 VanDerWaalsContact O-CG 3.26Å; T988-K992 WeakPolarHBondContact O-CG 3.37Å; T988-K992 PolarHBondContact O-N 2.94Å; R990-K992 PolarHBondContact O-N 3.28Å; K992-K996 PolarHBondContact O-N 3.08Å |
| 993 | R | 68.5 | Low | 63.2 | Low | 195 Ų | 195 | 125.2 Ų | 125.2 | 74% | 0.736 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.1 | -43.5 | 175.9 | -77.2 | -179.4 | 178.2 | 179.1 | 1.7 | 112.2 | T989 R990 D991 K996 H997 | T989-R993 WeakPolarHBondContact O-CG 3.49Å; T989-R993 PolarHBondContact O-N 2.77Å; T989-R993 VanDerWaalsContact O-N 3.17Å; R990-R993 PolarHBondContact O-N 3.5Å; R990-R993 VanDerWaalsContact O-N 3.16Å; D991-R993 VanDerWaalsContact C-N 3.31Å; D991-R993 PolarHBondContact O-N 3.26Å; R993-K996 PolarHBondContact O-N 2.87Å; R993-H997 WeakPolarHBondContact O-CB 3.25Å; R993-H997 PolarHBondContact O-N 3.45Å |
| 994 | I | 71.6 | Confident | 63.9 | Low | 70 Ų | 70 | 126 Ų | 126 | 36% | 0.359 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.2 | -43.2 | 178.9 | -67.3 | 167.4 | 0 | 0 | 0 | 110.9 | R990 D991 H997 K998 | R990-I994 HydrophobicContact CG-CD1 3.9Å; R990-I994 WeakPolarHBondContact O-CG1 3.3Å; R990-I994 PolarHBondContact O-N 3.14Å; D991-I994 PolarHBondContact O-N 3.46Å; I994-H997 PolarHBondContact O-N 3.06Å; I994-K998 HydrophobicContact CG2-CD 4.36Å; I994-K998 PolarHBondContact O-N 3.21Å |
| 995 | K | 72.9 | Confident | 63.8 | Low | 157 Ų | 157 | 125.4 Ų | 125.4 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.5 | -42.2 | 175.2 | -74.7 | 179.4 | 179.8 | 176.9 | 0 | 112.4 | D991 H997 A999 | D991-K995 WeakPolarHBondContact O-CB 3.18Å; D991-K995 WeakPolarHBondContact O-CG 3.13Å; D991-K995 PolarHBondContact O-N 2.92Å; K995-H997 VanDerWaalsContact C-N 3.34Å; K995-H997 PolarHBondContact O-N 2.88Å; K995-A999 WeakPolarHBondContact O-CB 3.48Å; K995-A999 PolarHBondContact O-N 3.07Å |
| 996 | K | 73.9 | Confident | 63.6 | Low | 162 Ų | 162 | 123.5 Ų | 123.5 | 70% | 0.704 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.5 | -36.5 | 174.3 | -84.1 | -176.1 | 176.3 | -179.4 | 0 | 112.9 | K992 R993 K1000 | K992-K996 PolarHBondContact O-N 3.08Å; R993-K996 PolarHBondContact O-N 2.87Å; K996-K1000 PolarHBondContact O-N 2.93Å; K996-K1000 VanDerWaalsContact O-N 3.14Å |
| 997 | H | 69.8 | Low | 63.1 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 54% | 0.542 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73 | -43.2 | 179.8 | -155.2 | -80.1 | 0 | 0 | 0 | 112.1 | R993 I994 K995 K1000 Q1001 | R993-H997 WeakPolarHBondContact O-CB 3.25Å; R993-H997 PolarHBondContact O-N 3.45Å; I994-H997 PolarHBondContact O-N 3.06Å; K995-H997 VanDerWaalsContact C-N 3.34Å; K995-H997 PolarHBondContact O-N 2.88Å; H997-K1000 PolarHBondContact O-N 3.38Å; H997-Q1001 PolarHBondContact O-N 2.87Å |
| 998 | K | 72 | Confident | 62.3 | Low | 142 Ų | 142 | 130.2 Ų | 130.2 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.3 | -39.9 | 174.1 | -74.7 | -174.3 | 176 | -175.7 | 0 | 112.2 | I994 K1000 Q1001 A1002 | I994-K998 HydrophobicContact CG2-CD 4.36Å; I994-K998 PolarHBondContact O-N 3.21Å; K998-K1000 PolarHBondContact O-N 3.45Å; K998-Q1001 PolarHBondContact O-N 3.36Å; K998-A1002 WeakPolarHBondContact O-CB 3.45Å; K998-A1002 PolarHBondContact O-N 2.93Å |
| 999 | A | 71.4 | Confident | 61.6 | Low | 55 Ų | 55 | 132.1 Ų | 132.1 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.5 | -31.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | K995 R1003 | K995-A999 WeakPolarHBondContact O-CB 3.48Å; K995-A999 PolarHBondContact O-N 3.07Å; A999-R1003 WeakPolarHBondContact O-CG 3.48Å; A999-R1003 PolarHBondContact O-N 3.01Å |
| 1000 | K | 71.7 | Confident | 60.4 | Low | 155 Ų | 155 | 140.3 Ų | 140.3 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.7 | -41 | 172.3 | -86.4 | -173.6 | 173.4 | -173.4 | 0 | 112.3 | K996 H997 K998 R1003 | K996-K1000 PolarHBondContact O-N 2.93Å; K996-K1000 VanDerWaalsContact O-N 3.14Å; H997-K1000 PolarHBondContact O-N 3.38Å; K998-K1000 PolarHBondContact O-N 3.45Å; K1000-R1003 PolarHBondContact O-N 3.21Å |
| 1001 | Q | 60.7 | Low | 60.3 | Low | 114 Ų | 114 | 138.6 Ų | 138.6 | 53% | 0.533 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -67.6 | -38.3 | 176.8 | -79.7 | 176.2 | -32.9 | 0 | 0 | 112.3 | H997 K998 R1003 L1004 T1005 | H997-Q1001 PolarHBondContact O-N 2.87Å; K998-Q1001 PolarHBondContact O-N 3.36Å; Q1001-R1003 VanDerWaalsContact C-N 3.26Å; Q1001-R1003 PolarHBondContact O-N 2.84Å; Q1001-L1004 PolarHBondContact O-N 2.93Å; Q1001-T1005 PolarHBondContact O-OG1 3.46Å |
| 1002 | A | 62.7 | Low | 60 | Low | 79 Ų | 79 | 141.5 Ų | 141.5 | 65% | 0.653 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -66.3 | -24.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K998 | K998-A1002 WeakPolarHBondContact O-CB 3.45Å; K998-A1002 PolarHBondContact O-N 2.93Å |
| 1003 | R | 62.7 | Low | 59.4 | Low | 231 Ų | 231 | 141.2 Ų | 141.2 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -12 | 176.8 | -78.9 | -177.3 | 176.2 | -173.3 | -1.3 | 114.4 | A999 K1000 Q1001 | A999-R1003 WeakPolarHBondContact O-CG 3.48Å; A999-R1003 PolarHBondContact O-N 3.01Å; K1000-R1003 PolarHBondContact O-N 3.21Å; Q1001-R1003 VanDerWaalsContact C-N 3.26Å; Q1001-R1003 PolarHBondContact O-N 2.84Å |
| 1004 | L | 58.2 | Low | 58.9 | Low | 142 Ų | 142 | 138.1 Ų | 138.1 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -99.8 | 6.2 | -171.4 | -90.2 | 159.1 | 0 | 0 | 0 | 114.3 | Q1001 | Q1001-L1004 PolarHBondContact O-N 2.93Š|
| 1005 | T | 49.4 | Very low | 58.1 | Low | 118 Ų | 118 | 142.3 Ų | 142.3 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | -123.8 | 101.8 | -174.6 | -25.1 | 0 | 0 | 0 | 0 | 110.6 | Q1001 | Q1001-T1005 PolarHBondContact O-OG1 3.46Š| ||
| 1006 | P | 44 | Very low | 57.1 | Low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -91.2 | 124.2 | 170.7 | 32.8 | -26.4 | 0 | 0 | 0 | 111.8 | ||||
| 1007 | L | 39.6 | Very low | 55.9 | Low | 169 Ų | 169 | 139.9 Ų | 139.9 | 89% | 0.885 | 74% | 0.738 | S | S | * | * | trans | 39.4 | 109.5 | 142.5 | -60.8 | 164.4 | 0 | 0 | 0 | 119.6 | ||||
| 1008 | L | 41.5 | Very low | 54.8 | Low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -135.3 | 133.4 | 137.9 | -94.1 | 158.1 | 0 | 0 | 0 | 107.4 | ||||
| 1009 | P | 42.7 | Very low | 53.4 | Low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -88 | 167.9 | -174.7 | 36.6 | -32.1 | 0 | 0 | 0 | 112.5 | ||||
| 1010 | D | 36.2 | Very low | 51.7 | Low | 240 Ų | 240 | 149.5 Ų | 149.5 | 100% | 1.283 | 79% | 0.793 | S | S | * | * | trans | 79.9 | 0 | -173.8 | -58.9 | -10.5 | 0 | 0 | 0 | 117.8 |
Retrieved 1,010 of 1,010 residues in 2081.5 ms
(Link to these results)