| 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 | 34.8 | Very low | 38.4 | Very low | 219 Ų | 219 | 130.9 Ų | 130.9 | 100% | 1.079 | 65% | 0.652 | S | S | * | * | 0 | 104.4 | 0 | -91.8 | 173.2 | 68.3 | 0 | 0 | 106.6 | V3 | M1-V3 HydrophobicContact CB-CG2 4.36Å; M1-V3 HydrophobicContact CE-CG2 4.21Å; M1-V3 PolarHBondContact O-N 3.23Å | |||
| 2 | E | 30.7 | Very low | 39.7 | Very low | 203 Ų | 203 | 124.8 Ų | 124.8 | 95% | 0.949 | 64% | 0.637 | S | S | * | * | trans | -71.6 | 103.9 | 157.7 | -77.6 | -179.5 | 163.1 | 0 | 0 | 105.5 | D4 | E2-D4 PolarHBondContact O-N 2.94Š| ||
| 3 | V | 35.9 | Very low | 41.8 | Very low | 85 Ų | 85 | 121.8 Ų | 121.8 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | trans | -75.9 | 108.7 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 105.3 | M1 P5 F8 | M1-V3 HydrophobicContact CB-CG2 4.36Å; M1-V3 HydrophobicContact CE-CG2 4.21Å; M1-V3 PolarHBondContact O-N 3.23Å; V3-P5 VanDerWaalsContact O-CD 3.31Å; V3-P5 WeakPolarHBondContact O-CD 3.42Å; V3-P5 VanDerWaalsContact O-N 3.15Å; V3-F8 HydrophobicContact CG1-CD2 4.3Å; V3-F8 HydrophobicContact CG1-CE2 4.08Å | ||
| 4 | D | 37.3 | Very low | 43.9 | Very low | 98 Ų | 98 | 118.1 Ų | 118.1 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | trans | -50.8 | 118 | 165 | 177.6 | 5.9 | 0 | 0 | 0 | 107.9 | E2 E6 P7 | E2-D4 PolarHBondContact O-N 2.94Å; D4-E6 PolarHBondContact O-N 3.49Å; D4-E6 VanDerWaalsContact OD1-CB 3.27Å; D4-E6 WeakPolarHBondContact OD1-CB 3.4Å; D4-E6 PolarHBondContact OD1-N 3.11Å; D4-P7 WeakPolarHBondContact O-CD 3.37Å | ||
| 5 | P | 38.5 | Very low | 46.1 | Very low | 78 Ų | 78 | 118.1 Ų | 118.1 | 51% | 0.506 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -74.8 | -9.8 | -178.3 | 29.3 | -33.4 | 0 | 0 | 0 | 112.7 | V3 P7 F8 L9 | V3-P5 VanDerWaalsContact O-CD 3.31Å; V3-P5 WeakPolarHBondContact O-CD 3.42Å; V3-P5 VanDerWaalsContact O-N 3.15Å; P5-P7 VanDerWaalsContact C-CD 3.44Å; P5-F8 WeakPolarHBondContact O-CA 3.33Å; P5-F8 WeakPolarHBondContact O-CB 3.46Å; P5-F8 PolarHBondContact O-N 3.2Å; P5-L9 PolarHBondContact O-N 3.12Å |
| 6 | E | 38.9 | Very low | 48.7 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 51% | 0.505 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -55.6 | -38.7 | -176.7 | -151 | -161.8 | -132.4 | 0 | 0 | 114.3 | D4 L9 K10 | D4-E6 PolarHBondContact O-N 3.49Å; D4-E6 VanDerWaalsContact OD1-CB 3.27Å; D4-E6 WeakPolarHBondContact OD1-CB 3.4Å; D4-E6 PolarHBondContact OD1-N 3.11Å; E6-L9 PolarHBondContact O-N 3.05Å; E6-K10 WeakPolarHBondContact O-CG 3.49Å; E6-K10 PolarHBondContact O-N 3.5Å; E6-K10 VanDerWaalsContact O-N 3.08Å; E6-K10 IonicContact OE2-NZ 3.01Å; E6-K10 PolarHBondContact OE2-NZ 3.49Å |
| 7 | P | 38.5 | Very low | 51.2 | Low | 69 Ų | 69 | 111.8 Ų | 111.8 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.8 | -31.5 | 172.9 | -17.8 | 32.9 | 0 | 0 | 0 | 113.7 | D4 P5 K10 F11 | D4-P7 WeakPolarHBondContact O-CD 3.37Å; P5-P7 VanDerWaalsContact C-CD 3.44Å; P7-K10 PolarHBondContact O-N 3.33Å; P7-F11 WeakPolarHBondContact O-CD2 3.38Å |
| 8 | F | 37.6 | Very low | 53.4 | Low | 156 Ų | 156 | 107.2 Ų | 107.2 | 68% | 0.684 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.9 | -38.3 | 174.6 | -86.5 | -87.5 | 0 | 0 | 0 | 111.1 | V3 P5 K10 F11 | V3-F8 HydrophobicContact CG1-CD2 4.3Å; V3-F8 HydrophobicContact CG1-CE2 4.08Å; P5-F8 WeakPolarHBondContact O-CA 3.33Å; P5-F8 WeakPolarHBondContact O-CB 3.46Å; P5-F8 PolarHBondContact O-N 3.2Å; F8-K10 VanDerWaalsContact C-N 3.28Å; F8-K10 PolarHBondContact O-N 3.14Å; F8-F11 PolarHBondContact O-N 3.29Å |
| 9 | L | 40 | Very low | 55.4 | Low | 121 Ų | 121 | 105.5 Ų | 105.5 | 63% | 0.634 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.5 | -28.4 | 174 | -69.6 | 168.4 | 0 | 0 | 0 | 112.3 | P5 E6 F11 A12 | P5-L9 PolarHBondContact O-N 3.12Å; E6-L9 PolarHBondContact O-N 3.05Å; L9-F11 PolarHBondContact O-N 3.37Å; L9-A12 WeakPolarHBondContact O-CB 3.32Å; L9-A12 PolarHBondContact O-N 3.41Å; L9-A12 VanDerWaalsContact O-N 3.1Å |
| 10 | K | 43.2 | Very low | 57.3 | Low | 133 Ų | 133 | 100.3 Ų | 100.3 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.8 | 172.4 | -78.7 | 173.5 | -175.5 | 158.2 | 0 | 114.4 | E6 P7 F8 A12 V13 | E6-K10 WeakPolarHBondContact O-CG 3.49Å; E6-K10 PolarHBondContact O-N 3.5Å; E6-K10 VanDerWaalsContact O-N 3.08Å; E6-K10 IonicContact OE2-NZ 3.01Å; E6-K10 PolarHBondContact OE2-NZ 3.49Å; P7-K10 PolarHBondContact O-N 3.33Å; F8-K10 VanDerWaalsContact C-N 3.28Å; F8-K10 PolarHBondContact O-N 3.14Å; K10-A12 VanDerWaalsContact C-N 3.3Å; K10-V13 WeakPolarHBondContact O-CG2 3.33Å |
| 11 | F | 46.8 | Very low | 58.9 | Low | 170 Ų | 170 | 96.6 Ų | 96.6 | 75% | 0.746 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -17.2 | 170.7 | -81.1 | -84.1 | 0 | 0 | 0 | 113 | P7 F8 L9 V13 | P7-F11 WeakPolarHBondContact O-CD2 3.38Å; F8-F11 PolarHBondContact O-N 3.29Å; L9-F11 PolarHBondContact O-N 3.37Å; F11-V13 PolarHBondContact O-N 2.95Å |
| 12 | A | 53.7 | Low | 61.5 | Low | 58 Ų | 58 | 86.2 Ų | 86.2 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | trans | -79.9 | 49.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 K10 V53 | L9-A12 WeakPolarHBondContact O-CB 3.32Å; L9-A12 PolarHBondContact O-N 3.41Å; L9-A12 VanDerWaalsContact O-N 3.1Å; K10-A12 VanDerWaalsContact C-N 3.3Å; A12-V53 HydrophobicContact CB-CG1 3.69Å | ||
| 13 | V | 67.4 | Low | 64.1 | Low | 85 Ų | 85 | 77.3 Ų | 77.3 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | trans | -74.5 | 129.2 | 171.9 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | K10 F11 K15 | K10-V13 WeakPolarHBondContact O-CG2 3.33Å; F11-V13 PolarHBondContact O-N 2.95Å; V13-K15 PolarHBondContact O-N 3.42Å; V13-K15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | V | 71.6 | Confident | 66.1 | Low | 70 Ų | 70 | 77.3 Ų | 77.3 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 113.9 | 167.7 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | E17 T51 L52 V53 | V14-E17 HydrophobicContact CG1-CB 3.9Å; V14-T51 HydrophobicContact CB-CG2 4.35Å; V14-T51 HydrophobicContact CG1-CG2 3.65Å; V14-T51 HydrophobicContact CG2-CG2 3.82Å; V14-L52 CarbonylContact C-O 3.55Å; V14-L52 WeakPolarHBondContact CA-O 3.37Å; V14-V53 HydrophobicContact CG2-CG2 4.11Å |
| 15 | K | 77 | Confident | 67.9 | Low | 118 Ų | 118 | 78.8 Ų | 78.8 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -36.1 | -179.4 | -69 | -76.1 | -175.4 | 177.8 | 0 | 112 | V13 L52 C124 | V13-K15 PolarHBondContact O-N 3.42Å; V13-K15 VanDerWaalsContact O-N 3.12Å; K15-L52 HydrophobicContact CB-CB 4.41Å; K15-L52 HydrophobicContact CB-CD2 4.14Å; K15-L52 HydrophobicContact CB-CG 4.07Å; K15-L52 PolarHBondContact N-O 3.28Å; K15-C124 VanDerWaalsContact CG-SG 3.6Å |
| 16 | K | 87.8 | Confident | 68.9 | Low | 38 Ų | 38 | 76.4 Ų | 76.4 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 142.8 | 173.7 | -167.7 | 167.7 | 173.1 | 76 | 0 | 109 | L52 D116 W117 A120 | K16-L52 PolarHBondContact O-N 3.35Å; K16-D116 IonicContact NZ-OD2 2.71Å; K16-W117 HydrophobicContact CB-CH2 4.38Å; K16-W117 HydrophobicContact CB-CZ3 4.41Å; K16-W117 HydrophobicContact CD-CD2 3.74Å; K16-W117 HydrophobicContact CD-CE3 4.12Å; K16-W117 HydrophobicContact CD-CG 3.98Å; K16-W117 HydrophobicContact CD-CZ2 4.4Å; K16-W117 VanDerWaalsContact CE-CG 3.5Å; K16-W117 HydrophobicContact CG-CD2 4.33Å; K16-W117 HydrophobicContact CG-CH2 4.34Å; K16-W117 HydrophobicContact CG-CZ2 4.12Å; K16-A120 HydrophobicContact CB-CB 4.16Å; K16-A120 HydrophobicContact CD-CB 3.93Å |
| 17 | E | 90 | Very high | 69.7 | Low | 91 Ų | 91 | 75.4 Ų | 75.4 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 132.3 | 173.4 | -178.5 | 174.5 | -176.3 | 0 | 0 | 109 | V14 R49 A50 T51 | V14-E17 HydrophobicContact CG1-CB 3.9Å; E17-R49 HydrophobicContact CG-CG 4.38Å; E17-R49 VanDerWaalsContact OE1-CD 3.31Å; E17-R49 WeakPolarHBondContact OE1-CD 3.16Å; E17-R49 IonicContact OE1-CZ 3.67Å; E17-R49 IonicContact OE1-NE 3.91Å; E17-R49 IonicContact OE1-NH1 3.84Å; E17-R49 PolarHBondContact OE1-NH1 3.02Å; E17-A50 VanDerWaalsContact CA-O 3.25Å; E17-A50 WeakPolarHBondContact CA-O 3.41Å; E17-T51 HydrophobicContact CB-CG2 4.3Å; E17-T51 HydrophobicContact CG-CG2 4.35Å |
| 18 | S | 91.6 | Very high | 70.5 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 173.5 | 171.4 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | A50 W117 | S18-A50 PolarHBondContact N-O 3.06Å; S18-A50 PolarHBondContact O-N 2.81Å; S18-W117 VanDerWaalsContact OG-CE2 3.25Å; S18-W117 WeakPolarHBondContact OG-CZ2 3.34Å; S18-W117 PolarHBondContact OG-NE1 3.49Å |
| 19 | M | 91.7 | Very high | 71.1 | Confident | 76 Ų | 76 | 72.6 Ų | 72.6 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.1 | 171.1 | -62.6 | -62.5 | -75.7 | 0 | 0 | 110 | T47 V48 R49 V62 F109 | M19-T47 HydrophobicContact CE-CG2 3.38Å; M19-V48 WeakPolarHBondContact CA-O 3.35Å; M19-R49 HydrophobicContact SD-CB 3.66Å; M19-R49 HydrophobicContact SD-CG 4.17Å; M19-V62 HydrophobicContact CE-CB 3.98Å; M19-V62 HydrophobicContact CE-CG1 4.04Å; M19-V62 HydrophobicContact CE-CG2 3.51Å; M19-V62 HydrophobicContact SD-CG2 4.06Å; M19-F109 HydrophobicContact CB-CD2 4.31Å; M19-F109 HydrophobicContact CB-CE2 3.93Å |
| 20 | L | 93 | Very high | 71.6 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.6 | 176.2 | -65.8 | -179.2 | 0 | 0 | 0 | 110.1 | V48 A50 M57 F95 F106 W117 | L20-V48 HydrophobicContact CB-CG2 4.1Å; L20-V48 PolarHBondContact N-O 2.96Å; L20-V48 WeakPolarHBondContact O-CG2 3.3Å; L20-V48 PolarHBondContact O-N 3.44Å; L20-V48 VanDerWaalsContact O-O 3.13Å; L20-A50 HydrophobicContact CD1-CB 3.51Å; L20-A50 HydrophobicContact CG-CB 4.01Å; L20-M57 HydrophobicContact CD1-CE 4.08Å; L20-F95 HydrophobicContact CD1-CE1 4.28Å; L20-F95 HydrophobicContact CD1-CZ 3.85Å; L20-F95 HydrophobicContact CD2-CE1 4.04Å; L20-F95 HydrophobicContact CD2-CZ 4.43Å; L20-F106 HydrophobicContact CB-CD1 4.36Å; L20-F106 HydrophobicContact CD1-CB 4.21Å; L20-F106 HydrophobicContact CD1-CD1 3.87Å; L20-F106 HydrophobicContact CD1-CG 4.18Å; L20-W117 HydrophobicContact CD1-CD2 4.33Å; L20-W117 HydrophobicContact CD1-CH2 4.37Å; L20-W117 HydrophobicContact CD1-CZ2 3.95Å; L20-W117 HydrophobicContact CG-CZ2 4.27Å |
| 21 | L | 90.7 | Very high | 71.9 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.2 | 167.8 | -167.1 | 71.8 | 0 | 0 | 0 | 108.7 | T45 V90 L91 F106 S107 F109 | L21-T45 HydrophobicContact CD2-CG2 4.29Å; L21-T45 HydrophobicContact CG-CG2 4.14Å; L21-V90 WeakPolarHBondContact CD2-O 3.47Å; L21-L91 HydrophobicContact CB-CD2 4.33Å; L21-L91 HydrophobicContact CD2-CD2 3.87Å; L21-L91 HydrophobicContact CG-CD2 3.99Å; L21-F106 CarbonylContact O-C 3.57Å; L21-F106 WeakPolarHBondContact O-CA 3.21Å; L21-S107 PolarHBondContact N-O 2.9Å; L21-S107 PolarHBondContact O-N 2.84Å; L21-F109 HydrophobicContact CB-CZ 4.4Å |
| 22 | T | 90 | Very high | 71.9 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 167.6 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | L26 T45 V46 V48 Y105 F106 | T22-L26 HydrophobicContact CG2-CD1 4.26Å; T22-T45 CarbonylContact O-C 3.55Å; T22-T45 WeakPolarHBondContact O-CA 3.37Å; T22-T45 WeakPolarHBondContact O-CB 3.46Å; T22-V46 HydrophobicContact CG2-CG1 3.98Å; T22-V46 PolarHBondContact N-O 3.13Å; T22-V46 PolarHBondContact O-N 2.77Å; T22-V48 HydrophobicContact CG2-CB 4.49Å; T22-V48 HydrophobicContact CG2-CG1 3.83Å; T22-V48 HydrophobicContact CG2-CG2 3.78Å; T22-Y105 WeakPolarHBondContact CB-O 3.46Å; T22-Y105 PolarHBondContact OG1-O 3.01Å; T22-F106 HydrophobicContact CG2-CE1 4.42Å |
| 23 | Y | 84.7 | Confident | 71.8 | Confident | 15 Ų | 15 | 70 Ų | 70 | 6% | 0.059 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 143.5 | 175 | -67.8 | -61.8 | 0 | 0 | 0 | 111.7 | K25 I44 T45 L91 Y105 | Y23-K25 VanDerWaalsContact C-N 3.26Å; Y23-K25 WeakPolarHBondContact CB-O 3.47Å; Y23-K25 CarbonylContact O-C 3.47Å; Y23-K25 PolarHBondContact O-N 3.05Å; Y23-I44 CarbonylContact C-O 3.5Å; Y23-I44 WeakPolarHBondContact CA-O 3.39Å; Y23-I44 HydrophobicContact CD1-CB 4.49Å; Y23-I44 HydrophobicContact CD1-CG2 3.69Å; Y23-I44 HydrophobicContact CE1-CG2 4.01Å; Y23-T45 HydrophobicContact CD1-CG2 3.94Å; Y23-T45 HydrophobicContact CE1-CG2 4.22Å; Y23-L91 HydrophobicContact CD2-CD1 4.37Å; Y23-L91 HydrophobicContact CE1-CD1 4.49Å; Y23-L91 HydrophobicContact CE2-CD1 3.71Å; Y23-Y105 HydrophobicContact CE2-CD2 4.35Å; Y23-Y105 HydrophobicContact CE2-CG 4.21Å |
| 24 | K | 78.4 | Confident | 71 | Confident | 85 Ų | 85 | 74.8 Ų | 74.8 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -56.7 | -40.8 | 175 | -76.7 | -176.4 | -169.5 | 163.6 | 0 | 111.4 | S42 D43 I44 T45 V46 R73 | K24-S42 PolarHBondContact NZ-O 3.32Å; K24-D43 WeakPolarHBondContact CD-O 3.42Å; K24-D43 WeakPolarHBondContact CE-O 3.43Å; K24-D43 PolarHBondContact NZ-O 2.67Å; K24-I44 PolarHBondContact N-O 3.26Å; K24-T45 WeakPolarHBondContact CE-O 3.23Å; K24-V46 HydrophobicContact CG-CB 3.92Å; K24-V46 HydrophobicContact CG-CG1 4.14Å; K24-R73 VanDerWaalsContact O-CZ 3.29Å; K24-R73 PolarHBondContact O-NH1 3.04Å; K24-R73 PolarHBondContact O-NH2 3.17Å |
| 25 | K | 74.9 | Confident | 69.7 | Low | 130 Ų | 130 | 75.6 Ų | 75.6 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -87 | 115.3 | 162.4 | -75.6 | -173.9 | -179.7 | 179.3 | 0 | 108.8 | Y23 M27 E32 | Y23-K25 VanDerWaalsContact C-N 3.26Å; Y23-K25 WeakPolarHBondContact CB-O 3.47Å; Y23-K25 CarbonylContact O-C 3.47Å; Y23-K25 PolarHBondContact O-N 3.05Å; K25-M27 PolarHBondContact O-N 2.82Å; K25-E32 IonicContact NZ-OE1 3.45Å; K25-E32 IonicContact NZ-OE2 3.03Å |
| 26 | L | 59.9 | Low | 68.2 | Low | 28 Ų | 28 | 73 Ų | 73 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -66.6 | -19.2 | -178.8 | -139.3 | 86.2 | 0 | 0 | 0 | 113.4 | T22 L59 I75 Y104 | T22-L26 HydrophobicContact CG2-CD1 4.26Å; L26-L59 HydrophobicContact CD1-CD1 3.77Å; L26-L59 HydrophobicContact CD2-CD1 4.19Å; L26-I75 HydrophobicContact CD2-CD1 4.12Å; L26-I75 HydrophobicContact CD2-CG1 4.26Å; L26-Y104 HydrophobicContact CD2-CD1 3.65Å; L26-Y104 HydrophobicContact CD2-CE1 3.91Å; L26-Y104 HydrophobicContact CG-CD1 4.03Å |
| 27 | M | 55.4 | Low | 66 | Low | 87 Ų | 87 | 77 Ų | 77 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | trans | -118 | 127 | -178.4 | -67.8 | -81.5 | -72.1 | 0 | 0 | 108.7 | K25 R102 Y104 | K25-M27 PolarHBondContact O-N 2.82Å; M27-R102 HydrophobicContact CE-CB 4.13Å; M27-R102 HydrophobicContact CE-CG 3.73Å; M27-R102 HydrophobicContact SD-CB 3.84Å; M27-R102 HydrophobicContact SD-CG 4.05Å; M27-Y104 HydrophobicContact SD-CE1 3.88Å | ||
| 28 | Q | 54.6 | Low | 63.9 | Low | 46 Ų | 46 | 80.9 Ų | 80.9 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | trans | -133.1 | 130.9 | 169 | -71.7 | -174.1 | -6 | 0 | 0 | 109.1 | L33 | Q28-L33 HydrophobicContact CB-CD1 4.34Š| ||
| 29 | N | 50.8 | Low | 62 | Low | 120 Ų | 120 | 84.2 Ų | 84.2 | 64% | 0.642 | 44% | 0.435 | S | S | * | . | trans | -74.4 | 141.3 | 162.8 | -73.2 | -12.8 | 0 | 0 | 0 | 107.8 | D31 E32 | N29-D31 PolarHBondContact O-N 3.18Å; N29-E32 PolarHBondContact O-N 3.43Å | ||
| 30 | E | 49.7 | Very low | 60.5 | Low | 124 Ų | 124 | 83.2 Ų | 83.2 | 58% | 0.579 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -53.7 | -24.5 | -179.7 | -74.5 | -175.3 | 177.8 | 0 | 0 | 113.3 | K103 | E30-K103 IonicContact OE1-NZ 3.55Å; E30-K103 PolarHBondContact OE1-NZ 2.83Å |
| 31 | D | 49.6 | Very low | 59 | Low | 130 Ų | 130 | 86.6 Ų | 86.6 | 70% | 0.695 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.2 | -28.8 | 177 | -68.5 | -33.6 | 0 | 0 | 0 | 114.1 | N29 | N29-D31 PolarHBondContact O-N 3.18Å |
| 32 | E | 48.5 | Very low | 57.6 | Low | 91 Ų | 91 | 88.9 Ų | 88.9 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.5 | -32.2 | 177.7 | -71.4 | -167.1 | 166.7 | 0 | 0 | 111.5 | K25 N29 K34 S35 | K25-E32 IonicContact NZ-OE1 3.45Å; K25-E32 IonicContact NZ-OE2 3.03Å; N29-E32 PolarHBondContact O-N 3.43Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 2.94Å; E32-S35 PolarHBondContact O-N 3.38Å; E32-S35 PolarHBondContact O-OG 3.19Å |
| 33 | L | 50.7 | Low | 56.6 | Low | 82 Ų | 82 | 92.8 Ų | 92.8 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -30.1 | -178.1 | -110.4 | 123.5 | 0 | 0 | 0 | 113.5 | Q28 S35 | Q28-L33 HydrophobicContact CB-CD1 4.34Å; L33-S35 VanDerWaalsContact C-N 3.34Å |
| 34 | K | 49.7 | Very low | 56.3 | Low | 186 Ų | 186 | 93.9 Ų | 93.9 | 81% | 0.809 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.9 | -179.6 | -69.4 | 180 | -178 | 167.8 | 0 | 113.7 | E32 | E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 2.94Å |
| 35 | S | 45 | Very low | 56.6 | Low | 86 Ų | 86 | 90.2 Ų | 90.2 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -2.5 | -172.7 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | E32 L33 V37 | E32-S35 PolarHBondContact O-N 3.38Å; E32-S35 PolarHBondContact O-OG 3.19Å; L33-S35 VanDerWaalsContact C-N 3.34Å; S35-V37 PolarHBondContact O-N 3.41Å |
| 36 | A | 44.7 | Very low | 57.2 | Low | 64 Ų | 64 | 84.3 Ų | 84.3 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | trans | -73.9 | 92.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 37 | V | 43.1 | Very low | 58.7 | Low | 121 Ų | 121 | 84.5 Ų | 84.5 | 73% | 0.733 | 47% | 0.465 | S | S | * | . | trans | -46.8 | 137.4 | 162 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | S35 L39 | S35-V37 PolarHBondContact O-N 3.41Å; V37-L39 PolarHBondContact O-N 2.9Å | ||
| 38 | I | 45.7 | Very low | 60.4 | Low | 173 Ų | 173 | 80.6 Ų | 80.6 | 89% | 0.887 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -21.2 | 91.2 | 176 | -50.3 | 169.4 | 0 | 0 | 0 | 113 | ||
| 39 | L | 51.6 | Low | 62.1 | Low | 99 Ų | 99 | 82.4 Ų | 82.4 | 52% | 0.518 | 45% | 0.451 | S | S | . | . | trans | -109.4 | 143.5 | 166 | -79.3 | 168.2 | 0 | 0 | 0 | 107.5 | V37 D43 I44 | V37-L39 PolarHBondContact O-N 2.9Å; L39-D43 HydrophobicContact CB-CB 4.09Å; L39-D43 HydrophobicContact CD2-CB 4.07Å; L39-I44 HydrophobicContact CB-CD1 3.85Å; L39-I44 HydrophobicContact CB-CG1 3.78Å; L39-I44 HydrophobicContact CD1-CG1 4.32Å | ||
| 40 | S | 59.6 | Low | 64.1 | Low | 56 Ų | 56 | 76.7 Ų | 76.7 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | trans | -59.5 | 147.5 | 174.4 | 172.5 | 0 | 0 | 0 | 0 | 109.3 | S42 D43 | S40-S42 WeakPolarHBondContact CB-OG 3.17Å; S40-S42 PolarHBondContact O-N 3.43Å; S40-S42 VanDerWaalsContact O-N 3.09Å; S40-S42 PolarHBondContact OG-N 2.94Å; S40-S42 PolarHBondContact OG-OG 2.86Å; S40-D43 WeakPolarHBondContact CB-OD2 3.37Å; S40-D43 PolarHBondContact N-OD2 2.91Å; S40-D43 VanDerWaalsContact O-CB 3.32Å; S40-D43 WeakPolarHBondContact O-CB 3.39Å; S40-D43 PolarHBondContact O-N 2.96Å | ||
| 41 | P | 61.1 | Low | 66.1 | Low | 70 Ų | 70 | 71.1 Ų | 71.1 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -46 | -42.1 | 172.2 | -31.2 | 36.7 | 0 | 0 | 0 | 113.2 | D43 I44 T45 V90 | P41-D43 PolarHBondContact O-N 2.74Å; P41-I44 PolarHBondContact O-N 3.06Å; P41-I44 VanDerWaalsContact O-N 3.17Å; P41-T45 PolarHBondContact O-N 3.32Å; P41-T45 PolarHBondContact O-OG1 2.97Å; P41-V90 HydrophobicContact CB-CG1 3.97Å |
| 42 | S | 62.2 | Low | 68 | Low | 73 Ų | 73 | 65 Ų | 65 | 51% | 0.51 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.4 | -21 | 176.9 | 58.1 | 0 | 0 | 0 | 0 | 115 | K24 S40 | K24-S42 PolarHBondContact NZ-O 3.32Å; S40-S42 WeakPolarHBondContact CB-OG 3.17Å; S40-S42 PolarHBondContact O-N 3.43Å; S40-S42 VanDerWaalsContact O-N 3.09Å; S40-S42 PolarHBondContact OG-N 2.94Å; S40-S42 PolarHBondContact OG-OG 2.86Å |
| 43 | D | 69.7 | Low | 69.8 | Low | 82 Ų | 82 | 62 Ų | 62 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -81.6 | -29.5 | -179.8 | -61.2 | -26.9 | 0 | 0 | 0 | 110.9 | K24 L39 S40 P41 | K24-D43 WeakPolarHBondContact CD-O 3.42Å; K24-D43 WeakPolarHBondContact CE-O 3.43Å; K24-D43 PolarHBondContact NZ-O 2.67Å; L39-D43 HydrophobicContact CB-CB 4.09Å; L39-D43 HydrophobicContact CD2-CB 4.07Å; S40-D43 WeakPolarHBondContact CB-OD2 3.37Å; S40-D43 PolarHBondContact N-OD2 2.91Å; S40-D43 VanDerWaalsContact O-CB 3.32Å; S40-D43 WeakPolarHBondContact O-CB 3.39Å; S40-D43 PolarHBondContact O-N 2.96Å; P41-D43 PolarHBondContact O-N 2.74Å |
| 44 | I | 77.9 | Confident | 71.1 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -104.1 | -31.1 | -171.8 | -36.8 | 178.1 | 0 | 0 | 0 | 112.1 | Y23 K24 L39 P41 | Y23-I44 CarbonylContact C-O 3.5Å; Y23-I44 WeakPolarHBondContact CA-O 3.39Å; Y23-I44 HydrophobicContact CD1-CB 4.49Å; Y23-I44 HydrophobicContact CD1-CG2 3.69Å; Y23-I44 HydrophobicContact CE1-CG2 4.01Å; K24-I44 PolarHBondContact N-O 3.26Å; L39-I44 HydrophobicContact CB-CD1 3.85Å; L39-I44 HydrophobicContact CB-CG1 3.78Å; L39-I44 HydrophobicContact CD1-CG1 4.32Å; P41-I44 PolarHBondContact O-N 3.06Å; P41-I44 VanDerWaalsContact O-N 3.17Å |
| 45 | T | 84.8 | Confident | 72.7 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 158.4 | 178.9 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | L21 T22 Y23 K24 P41 V90 L91 | L21-T45 HydrophobicContact CD2-CG2 4.29Å; L21-T45 HydrophobicContact CG-CG2 4.14Å; T22-T45 CarbonylContact O-C 3.55Å; T22-T45 WeakPolarHBondContact O-CA 3.37Å; T22-T45 WeakPolarHBondContact O-CB 3.46Å; Y23-T45 HydrophobicContact CD1-CG2 3.94Å; Y23-T45 HydrophobicContact CE1-CG2 4.22Å; K24-T45 WeakPolarHBondContact CE-O 3.23Å; P41-T45 PolarHBondContact O-N 3.32Å; P41-T45 PolarHBondContact O-OG1 2.97Å; T45-V90 HydrophobicContact CG2-CG1 3.41Å; T45-V90 VanDerWaalsContact CG2-CG1 3.41Å; T45-L91 HydrophobicContact CG2-CD2 3.82Å |
| 46 | V | 87.8 | Confident | 74.6 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.4 | 174.5 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | T22 K24 V48 D61 E63 | T22-V46 HydrophobicContact CG2-CG1 3.98Å; T22-V46 PolarHBondContact N-O 3.13Å; T22-V46 PolarHBondContact O-N 2.77Å; K24-V46 HydrophobicContact CG-CB 3.92Å; K24-V46 HydrophobicContact CG-CG1 4.14Å; V46-V48 HydrophobicContact CG1-CG1 4.1Å; V46-D61 WeakPolarHBondContact CG2-OD1 3.31Å; V46-E63 HydrophobicContact CG2-CB 4.4Å; V46-E63 HydrophobicContact CG2-CG 4.33Å |
| 47 | T | 90.3 | Very high | 76.7 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.1 | 171.7 | -49.4 | 0 | 0 | 0 | 0 | 110 | M19 V62 E63 F109 | M19-T47 HydrophobicContact CE-CG2 3.38Å; T47-V62 PolarHBondContact O-N 2.94Å; T47-E63 PolarHBondContact N-OE1 3.4Å; T47-F109 HydrophobicContact CG2-CE2 4.08Å; T47-F109 HydrophobicContact CG2-CZ 3.82Å |
| 48 | V | 91.1 | Very high | 79 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.8 | 177.8 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | M19 L20 T22 V46 L59 Y60 | M19-V48 WeakPolarHBondContact CA-O 3.35Å; L20-V48 HydrophobicContact CB-CG2 4.1Å; L20-V48 PolarHBondContact N-O 2.96Å; L20-V48 WeakPolarHBondContact O-CG2 3.3Å; L20-V48 PolarHBondContact O-N 3.44Å; L20-V48 VanDerWaalsContact O-O 3.13Å; T22-V48 HydrophobicContact CG2-CB 4.49Å; T22-V48 HydrophobicContact CG2-CG1 3.83Å; T22-V48 HydrophobicContact CG2-CG2 3.78Å; V46-V48 HydrophobicContact CG1-CG1 4.1Å; V48-L59 HydrophobicContact CG2-CD2 3.98Å; V48-Y60 CarbonylContact C-O 3.59Å; V48-Y60 VanDerWaalsContact CA-O 3.25Å; V48-Y60 WeakPolarHBondContact CA-O 3.27Å |
| 49 | R | 91.4 | Very high | 81.1 | Confident | 85 Ų | 85 | 34.6 Ų | 34.6 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.7 | 160.8 | -177.8 | -177.3 | 67.5 | 156.4 | -10.5 | 107.2 | E17 M19 Y60 V62 | E17-R49 HydrophobicContact CG-CG 4.38Å; E17-R49 VanDerWaalsContact OE1-CD 3.31Å; E17-R49 WeakPolarHBondContact OE1-CD 3.16Å; E17-R49 IonicContact OE1-CZ 3.67Å; E17-R49 IonicContact OE1-NE 3.91Å; E17-R49 IonicContact OE1-NH1 3.84Å; E17-R49 PolarHBondContact OE1-NH1 3.02Å; M19-R49 HydrophobicContact SD-CB 3.66Å; M19-R49 HydrophobicContact SD-CG 4.17Å; R49-Y60 PolarHBondContact N-O 2.95Å; R49-Y60 WeakPolarHBondContact O-CD2 3.35Å; R49-Y60 PolarHBondContact O-N 3.31Å; R49-V62 HydrophobicContact CB-CG2 3.94Å |
| 50 | A | 92.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | E17 S18 L20 M57 L58 L59 W117 | E17-A50 VanDerWaalsContact CA-O 3.25Å; E17-A50 WeakPolarHBondContact CA-O 3.41Å; S18-A50 PolarHBondContact N-O 3.06Å; S18-A50 PolarHBondContact O-N 2.81Å; L20-A50 HydrophobicContact CD1-CB 3.51Å; L20-A50 HydrophobicContact CG-CB 4.01Å; A50-M57 HydrophobicContact CB-CE 4.1Å; A50-L58 CarbonylContact C-O 3.51Å; A50-L58 WeakPolarHBondContact CA-O 3.34Å; A50-L59 HydrophobicContact CB-CD2 3.61Å; A50-W117 HydrophobicContact CB-CH2 3.75Å; A50-W117 HydrophobicContact CB-CZ2 3.98Å |
| 51 | T | 90.8 | Very high | 84 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117 | 178.8 | -47.7 | 0 | 0 | 0 | 0 | 109 | V14 E17 V53 L58 | V14-T51 HydrophobicContact CB-CG2 4.35Å; V14-T51 HydrophobicContact CG1-CG2 3.65Å; V14-T51 HydrophobicContact CG2-CG2 3.82Å; E17-T51 HydrophobicContact CB-CG2 4.3Å; E17-T51 HydrophobicContact CG-CG2 4.35Å; T51-V53 HydrophobicContact CG2-CG2 3.81Å; T51-L58 PolarHBondContact N-O 3.23Å; T51-L58 PolarHBondContact O-N 2.96Å |
| 52 | L | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.9 | 175.9 | -179.1 | 61.8 | 0 | 0 | 0 | 109.7 | V14 K15 K16 M57 L77 W117 A120 I121 C124 | V14-L52 CarbonylContact C-O 3.55Å; V14-L52 WeakPolarHBondContact CA-O 3.37Å; K15-L52 HydrophobicContact CB-CB 4.41Å; K15-L52 HydrophobicContact CB-CD2 4.14Å; K15-L52 HydrophobicContact CB-CG 4.07Å; K15-L52 PolarHBondContact N-O 3.28Å; K16-L52 PolarHBondContact O-N 3.35Å; L52-M57 HydrophobicContact CD1-CB 4.12Å; L52-L77 HydrophobicContact CD1-CD1 3.46Å; L52-L77 VanDerWaalsContact CD1-CD1 3.46Å; L52-W117 HydrophobicContact CB-CZ3 4.07Å; L52-A120 HydrophobicContact CD2-CB 3.92Å; L52-I121 HydrophobicContact CD2-CG1 4.43Å; L52-C124 HydrophobicContact CD1-CB 4.25Å; L52-C124 HydrophobicContact CD2-CB 4.03Å; L52-C124 HydrophobicContact CG-CB 4.37Å |
| 53 | V | 85.4 | Confident | 85.9 | Confident | 29 Ų | 29 | 30.9 Ų | 30.9 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 115.1 | -178.4 | -174 | 0 | 0 | 0 | 0 | 108.9 | A12 V14 T51 N55 V56 L58 | A12-V53 HydrophobicContact CB-CG1 3.69Å; V14-V53 HydrophobicContact CG2-CG2 4.11Å; T51-V53 HydrophobicContact CG2-CG2 3.81Å; V53-N55 PolarHBondContact O-N 3.35Å; V53-V56 PolarHBondContact N-O 3.38Å; V53-V56 PolarHBondContact O-N 3.21Å; V53-L58 HydrophobicContact CG2-CD1 4.34Å |
| 54 | G | 78.6 | Confident | 86.2 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -124.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | C124 | G54-C124 VanDerWaalsContact O-CB 3.23Å; G54-C124 WeakPolarHBondContact O-CB 3.44Å |
| 55 | N | 82.6 | Confident | 86.1 | Confident | 44 Ų | 44 | 31.1 Ų | 31.1 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 20.4 | 173.8 | 65.5 | -33.5 | 0 | 0 | 0 | 113.8 | V53 L77 C124 L129 | V53-N55 PolarHBondContact O-N 3.35Å; N55-L77 WeakPolarHBondContact O-CB 3.4Å; N55-L77 PolarHBondContact O-N 3.09Å; N55-C124 WeakPolarHBondContact CA-O 3.27Å; N55-C124 VanDerWaalsContact CB-O 3.25Å; N55-C124 WeakPolarHBondContact CB-O 3.44Å; N55-L129 HydrophobicContact CB-CD1 3.81Å |
| 56 | V | 86.2 | Confident | 85.6 | Confident | 40 Ų | 40 | 35.8 Ų | 35.8 | 24% | 0.242 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.6 | -179.6 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | V53 L58 A74 I75 L76 | V53-V56 PolarHBondContact N-O 3.38Å; V53-V56 PolarHBondContact O-N 3.21Å; V56-L58 HydrophobicContact CG1-CD2 3.62Å; V56-L58 HydrophobicContact CG1-CG 4.26Å; V56-A74 HydrophobicContact CG1-CB 4.18Å; V56-I75 WeakPolarHBondContact CA-O 3.25Å; V56-L76 HydrophobicContact CG2-CD1 3.77Å |
| 57 | M | 89.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.5 | 171.4 | -177.7 | 169.4 | 146 | 0 | 0 | 109.6 | L20 A50 L52 L59 A74 I75 I97 F106 W117 | L20-M57 HydrophobicContact CD1-CE 4.08Å; A50-M57 HydrophobicContact CB-CE 4.1Å; L52-M57 HydrophobicContact CD1-CB 4.12Å; M57-L59 HydrophobicContact CE-CD2 3.62Å; M57-L59 HydrophobicContact CG-CD2 4.4Å; M57-A74 CarbonylContact O-C 3.58Å; M57-A74 VanDerWaalsContact O-CA 3.31Å; M57-A74 WeakPolarHBondContact O-CA 3.22Å; M57-I75 HydrophobicContact CB-CB 4.34Å; M57-I75 PolarHBondContact N-O 3.41Å; M57-I75 PolarHBondContact O-N 2.94Å; M57-I97 HydrophobicContact CE-CD1 4.5Å; M57-I97 HydrophobicContact SD-CD1 3.91Å; M57-F106 HydrophobicContact CE-CD1 3.84Å; M57-F106 HydrophobicContact CE-CD2 4.05Å; M57-F106 HydrophobicContact CE-CE1 3.38Å; M57-F106 HydrophobicContact CE-CE2 3.59Å; M57-F106 HydrophobicContact CE-CG 4.16Å; M57-F106 HydrophobicContact CE-CZ 3.25Å; M57-W117 HydrophobicContact SD-CZ3 4.21Å |
| 58 | L | 89.8 | Confident | 84.2 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 18% | 0.183 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.7 | -180 | -58.3 | 178.5 | 0 | 0 | 0 | 109.9 | A50 T51 V53 V56 Y60 P71 A74 | A50-L58 CarbonylContact C-O 3.51Å; A50-L58 WeakPolarHBondContact CA-O 3.34Å; T51-L58 PolarHBondContact N-O 3.23Å; T51-L58 PolarHBondContact O-N 2.96Å; V53-L58 HydrophobicContact CG2-CD1 4.34Å; V56-L58 HydrophobicContact CG1-CD2 3.62Å; V56-L58 HydrophobicContact CG1-CG 4.26Å; L58-Y60 HydrophobicContact CB-CE2 3.95Å; L58-P71 HydrophobicContact CB-CB 4.07Å; L58-P71 HydrophobicContact CD2-CB 4.25Å; L58-P71 HydrophobicContact CD2-CG 4.1Å; L58-A74 HydrophobicContact CD2-CB 3.84Å |
| 59 | L | 90.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.3 | -179.8 | -59.6 | 178.6 | 0 | 0 | 0 | 109.8 | L26 V48 A50 M57 P71 S72 R73 F106 | L26-L59 HydrophobicContact CD1-CD1 3.77Å; L26-L59 HydrophobicContact CD2-CD1 4.19Å; V48-L59 HydrophobicContact CG2-CD2 3.98Å; A50-L59 HydrophobicContact CB-CD2 3.61Å; M57-L59 HydrophobicContact CE-CD2 3.62Å; M57-L59 HydrophobicContact CG-CD2 4.4Å; L59-P71 CarbonylContact O-C 3.5Å; L59-S72 PolarHBondContact O-N 3.26Å; L59-R73 HydrophobicContact CB-CB 4.17Å; L59-R73 HydrophobicContact CD1-CB 4.27Å; L59-R73 PolarHBondContact N-O 3.16Å; L59-R73 PolarHBondContact O-N 2.77Å; L59-R73 VanDerWaalsContact O-N 3.13Å; L59-F106 HydrophobicContact CD1-CE1 3.92Å; L59-F106 HydrophobicContact CD1-CZ 4.05Å; L59-F106 HydrophobicContact CD2-CE1 3.95Å; L59-F106 HydrophobicContact CD2-CZ 4.47Å |
| 60 | Y | 88.7 | Confident | 82.7 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 11% | 0.114 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119 | 175.3 | -54.5 | -101.1 | 0 | 0 | 0 | 108.4 | V48 R49 L58 V62 F70 P71 | V48-Y60 CarbonylContact C-O 3.59Å; V48-Y60 VanDerWaalsContact CA-O 3.25Å; V48-Y60 WeakPolarHBondContact CA-O 3.27Å; R49-Y60 PolarHBondContact N-O 2.95Å; R49-Y60 WeakPolarHBondContact O-CD2 3.35Å; R49-Y60 PolarHBondContact O-N 3.31Å; L58-Y60 HydrophobicContact CB-CE2 3.95Å; Y60-V62 PolarHBondContact O-N 3.42Å; Y60-F70 WeakPolarHBondContact CD1-O 3.44Å; Y60-P71 HydrophobicContact CD1-CB 4.39Å; Y60-P71 HydrophobicContact CE1-CB 4Å; Y60-P71 HydrophobicContact CE2-CB 4.41Å |
| 61 | D | 84.5 | Confident | 82.1 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 112.9 | 173.5 | -176.9 | -13.6 | 0 | 0 | 0 | 109.8 | V46 E63 S64 A65 S72 | V46-D61 WeakPolarHBondContact CG2-OD1 3.31Å; D61-E63 PolarHBondContact OD1-N 3.46Å; D61-S64 WeakPolarHBondContact CB-OG 3.35Å; D61-S64 PolarHBondContact OD1-N 3.41Å; D61-S64 WeakPolarHBondContact OD2-CB 3.43Å; D61-S64 PolarHBondContact OD2-OG 2.97Å; D61-A65 CarbonylContact O-C 3.49Å; D61-A65 PolarHBondContact O-N 3.48Å; D61-S72 WeakPolarHBondContact CB-OG 3.34Å; D61-S72 PolarHBondContact N-OG 2.69Å |
| 62 | V | 83.6 | Confident | 81.6 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.2 | -177 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | M19 T47 R49 Y60 P66 | M19-V62 HydrophobicContact CE-CB 3.98Å; M19-V62 HydrophobicContact CE-CG1 4.04Å; M19-V62 HydrophobicContact CE-CG2 3.51Å; M19-V62 HydrophobicContact SD-CG2 4.06Å; T47-V62 PolarHBondContact O-N 2.94Å; R49-V62 HydrophobicContact CB-CG2 3.94Å; Y60-V62 PolarHBondContact O-N 3.42Å; V62-P66 HydrophobicContact CG1-CB 4.43Å; V62-P66 WeakPolarHBondContact O-CB 3.33Å; V62-P66 WeakPolarHBondContact O-CD 3.49Å |
| 63 | E | 80 | Confident | 81.2 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -42.3 | -178.5 | -67.8 | 172.6 | -154.6 | 0 | 0 | 111.3 | V46 T47 D61 | V46-E63 HydrophobicContact CG2-CB 4.4Å; V46-E63 HydrophobicContact CG2-CG 4.33Å; T47-E63 PolarHBondContact N-OE1 3.4Å; D61-E63 PolarHBondContact OD1-N 3.46Å |
| 64 | S | 75.6 | Confident | 81.2 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 60% | 0.601 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -31.7 | -179.8 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | D61 | D61-S64 WeakPolarHBondContact CB-OG 3.35Å; D61-S64 PolarHBondContact OD1-N 3.41Å; D61-S64 WeakPolarHBondContact OD2-CB 3.43Å; D61-S64 PolarHBondContact OD2-OG 2.97Å |
| 65 | A | 75.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | trans | -149.3 | 69.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | D61 A67 S68 | D61-A65 CarbonylContact O-C 3.49Å; D61-A65 PolarHBondContact O-N 3.48Å; A65-A67 PolarHBondContact O-N 3Å; A65-S68 WeakPolarHBondContact O-CB 3.19Å; A65-S68 PolarHBondContact O-N 3.22Å | ||
| 66 | P | 73.4 | Confident | 81.6 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 69% | 0.688 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.7 | -172.1 | 18.7 | -30.3 | 0 | 0 | 0 | 115.1 | V62 | V62-P66 HydrophobicContact CG1-CB 4.43Å; V62-P66 WeakPolarHBondContact O-CB 3.33Å; V62-P66 WeakPolarHBondContact O-CD 3.49Å |
| 67 | A | 73.9 | Confident | 81.6 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 79% | 0.785 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 8.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A65 T69 | A65-A67 PolarHBondContact O-N 3Å; A67-T69 PolarHBondContact O-N 3.05Å |
| 68 | S | 75.5 | Confident | 80.9 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | trans | -67.9 | 125.4 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | A65 F70 | A65-S68 WeakPolarHBondContact O-CB 3.19Å; A65-S68 PolarHBondContact O-N 3.22Å; S68-F70 VanDerWaalsContact C-N 3.27Å; S68-F70 PolarHBondContact OG-N 3.27Å; S68-F70 PolarHBondContact OG-O 2.92Å | ||
| 69 | T | 74.4 | Confident | 80.2 | Confident | 112 Ų | 112 | 69 Ų | 69 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -81 | -10.4 | 167.1 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | A67 | A67-T69 PolarHBondContact O-N 3.05Š|
| 70 | F | 76.1 | Confident | 79.6 | Confident | 158 Ų | 158 | 69.6 Ų | 69.6 | 69% | 0.693 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -97.5 | 131.1 | 178.6 | -63.2 | -79.4 | 0 | 0 | 0 | 110.8 | Y60 S68 | Y60-F70 WeakPolarHBondContact CD1-O 3.44Å; S68-F70 VanDerWaalsContact C-N 3.27Å; S68-F70 PolarHBondContact OG-N 3.27Å; S68-F70 PolarHBondContact OG-O 2.92Å |
| 71 | P | 80.5 | Confident | 79.2 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 34% | 0.344 | 41% | 0.411 | S | S | . | . | trans | -67.4 | 135.1 | 177.1 | 28.7 | -33.7 | 0 | 0 | 0 | 110.1 | L58 L59 Y60 R73 | L58-P71 HydrophobicContact CB-CB 4.07Å; L58-P71 HydrophobicContact CD2-CB 4.25Å; L58-P71 HydrophobicContact CD2-CG 4.1Å; L59-P71 CarbonylContact O-C 3.5Å; Y60-P71 HydrophobicContact CD1-CB 4.39Å; Y60-P71 HydrophobicContact CE1-CB 4Å; Y60-P71 HydrophobicContact CE2-CB 4.41Å; P71-R73 VanDerWaalsContact C-N 3.32Å | ||
| 72 | S | 79.6 | Confident | 79.3 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 43% | 0.427 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -69.5 | -33.3 | 174.6 | -45.9 | 0 | 0 | 0 | 0 | 111.3 | L59 D61 | L59-S72 PolarHBondContact O-N 3.26Å; D61-S72 WeakPolarHBondContact CB-OG 3.34Å; D61-S72 PolarHBondContact N-OG 2.69Å |
| 73 | R | 83 | Confident | 79.3 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 37% | 0.366 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 158.6 | -178.8 | -56.4 | 173.7 | -176.4 | 167.4 | 0.1 | 110.6 | K24 L59 P71 | K24-R73 VanDerWaalsContact O-CZ 3.29Å; K24-R73 PolarHBondContact O-NH1 3.04Å; K24-R73 PolarHBondContact O-NH2 3.17Å; L59-R73 HydrophobicContact CB-CB 4.17Å; L59-R73 HydrophobicContact CD1-CB 4.27Å; L59-R73 PolarHBondContact N-O 3.16Å; L59-R73 PolarHBondContact O-N 2.77Å; L59-R73 VanDerWaalsContact O-N 3.13Å; P71-R73 VanDerWaalsContact C-N 3.32Å |
| 74 | A | 84.6 | Confident | 79.7 | Confident | 64 Ų | 64 | 72 Ų | 72 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | V56 M57 L58 | V56-A74 HydrophobicContact CG1-CB 4.18Å; M57-A74 CarbonylContact O-C 3.58Å; M57-A74 VanDerWaalsContact O-CA 3.31Å; M57-A74 WeakPolarHBondContact O-CA 3.22Å; L58-A74 HydrophobicContact CD2-CB 3.84Å |
| 75 | I | 85.9 | Confident | 80.1 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.3 | 173 | -56.7 | 173.7 | 0 | 0 | 0 | 107.9 | L26 V56 M57 L77 Y104 F106 | L26-I75 HydrophobicContact CD2-CD1 4.12Å; L26-I75 HydrophobicContact CD2-CG1 4.26Å; V56-I75 WeakPolarHBondContact CA-O 3.25Å; M57-I75 HydrophobicContact CB-CB 4.34Å; M57-I75 PolarHBondContact N-O 3.41Å; M57-I75 PolarHBondContact O-N 2.94Å; I75-L77 HydrophobicContact CG2-CD2 4.04Å; I75-Y104 HydrophobicContact CD1-CD1 4.03Å; I75-Y104 HydrophobicContact CD1-CD2 4.18Å; I75-Y104 HydrophobicContact CD1-CE1 4.49Å; I75-Y104 HydrophobicContact CD1-CG 3.84Å; I75-Y104 HydrophobicContact CG2-CD2 4.44Å; I75-Y104 HydrophobicContact CG2-CE2 4.21Å; I75-F106 HydrophobicContact CD1-CE2 3.95Å; I75-F106 HydrophobicContact CD1-CZ 3.65Å |
| 76 | L | 84.1 | Confident | 80.5 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 40% | 0.403 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.5 | 175.6 | -176 | 70.1 | 0 | 0 | 0 | 109.7 | V56 E78 Q99 | V56-L76 HydrophobicContact CG2-CD1 3.77Å; L76-E78 HydrophobicContact CD2-CG 3.87Å; L76-E78 WeakPolarHBondContact CD2-OE1 3.31Å; L76-E78 HydrophobicContact CG-CG 3.97Å; L76-E78 PolarHBondContact O-N 3.49Å; L76-E78 VanDerWaalsContact O-N 3.13Å; L76-Q99 VanDerWaalsContact O-CD 3.24Å; L76-Q99 PolarHBondContact O-NE2 2.78Å; L76-Q99 PolarHBondContact O-OE1 3.07Å |
| 77 | L | 84.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | -87.4 | 75.7 | -173.8 | -57.9 | 175 | 0 | 0 | 0 | 111.6 | L52 N55 I75 C80 I97 I121 C124 S125 Y126 | L52-L77 HydrophobicContact CD1-CD1 3.46Å; L52-L77 VanDerWaalsContact CD1-CD1 3.46Å; N55-L77 WeakPolarHBondContact O-CB 3.4Å; N55-L77 PolarHBondContact O-N 3.09Å; I75-L77 HydrophobicContact CG2-CD2 4.04Å; L77-C80 HydrophobicContact CD2-CB 4.24Å; L77-I97 HydrophobicContact CD2-CD1 4.45Å; L77-I97 HydrophobicContact CD2-CG2 4.18Å; L77-I121 HydrophobicContact CD1-CG2 4Å; L77-I121 HydrophobicContact CD2-CG2 4.07Å; L77-C124 HydrophobicContact CD1-CB 4.41Å; L77-S125 WeakPolarHBondContact O-CA 3.31Å; L77-Y126 PolarHBondContact O-N 2.85Å | ||
| 78 | E | 74.6 | Confident | 81 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 33% | 0.332 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -84.8 | -82.1 | 176.4 | -67.2 | -177.7 | 161.5 | 0 | 0 | 111.8 | L76 Y100 | L76-E78 HydrophobicContact CD2-CG 3.87Å; L76-E78 WeakPolarHBondContact CD2-OE1 3.31Å; L76-E78 HydrophobicContact CG-CG 3.97Å; L76-E78 PolarHBondContact O-N 3.49Å; L76-E78 VanDerWaalsContact O-N 3.13Å; E78-Y100 PolarHBondContact OE2-OH 3.31Å |
| 79 | R | 75.8 | Confident | 80.9 | Confident | 171 Ų | 171 | 76.5 Ų | 76.5 | 65% | 0.645 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -107.3 | 71.3 | 176.2 | -66.4 | -173.9 | -179.8 | 174.3 | 2.8 | 109.4 | Y100 | R79-Y100 HydrophobicContact CB-CE1 4.43Š|
| 80 | C | 77.5 | Confident | 81.1 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 8% | 0.081 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.6 | -177.4 | 64.6 | 0 | 0 | 0 | 0 | 112 | L77 I97 T98 Q99 | L77-C80 HydrophobicContact CD2-CB 4.24Å; C80-I97 HydrophobicContact CB-CG2 3.87Å; C80-T98 CarbonylContact C-O 3.51Å; C80-T98 VanDerWaalsContact CA-O 3.27Å; C80-T98 WeakPolarHBondContact CA-O 3.27Å; C80-Q99 HydrophobicContact CB-CB 4.49Å |
| 81 | V | 79.7 | Confident | 81.5 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 47% | 0.473 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | Q83 I97 T98 | V81-Q83 HydrophobicContact CG1-CG 3.96Å; V81-I97 CarbonylContact O-C 3.5Å; V81-I97 WeakPolarHBondContact O-CA 3.29Å; V81-T98 PolarHBondContact N-O 3.43Å; V81-T98 PolarHBondContact O-N 3.43Å |
| 82 | A | 86.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V96 V118 I121 I122 | A82-V96 WeakPolarHBondContact CA-O 3.47Å; A82-V118 HydrophobicContact CB-CB 4.49Å; A82-V118 HydrophobicContact CB-CG1 4.1Å; A82-V118 HydrophobicContact CB-CG2 4.38Å; A82-V118 WeakPolarHBondContact O-CG1 3.43Å; A82-I121 HydrophobicContact CB-CB 4.17Å; A82-I121 HydrophobicContact CB-CG2 3.79Å; A82-I122 HydrophobicContact CB-CG1 4.19Å |
| 83 | Q | 85 | Confident | 82.2 | Confident | 107 Ų | 107 | 66.2 Ų | 66.2 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.2 | -177.1 | -71.3 | 174.9 | -5.5 | 0 | 0 | 110.9 | V81 F95 V96 | V81-Q83 HydrophobicContact CG1-CG 3.96Å; Q83-F95 CarbonylContact O-C 3.48Å; Q83-F95 VanDerWaalsContact O-CA 3.22Å; Q83-F95 WeakPolarHBondContact O-CA 3.46Å; Q83-F95 WeakPolarHBondContact O-CB 3.47Å; Q83-V96 HydrophobicContact CB-CG1 4.22Å; Q83-V96 PolarHBondContact N-O 3.21Å; Q83-V96 PolarHBondContact O-N 2.82Å |
| 84 | L | 88.2 | Confident | 82.5 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 140.4 | 169 | -60 | -177.4 | 0 | 0 | 0 | 109 | F95 R114 V118 | L84-F95 HydrophobicContact CD2-CB 4.2Å; L84-R114 HydrophobicContact CD1-CG 4.34Å; L84-R114 HydrophobicContact CD2-CB 3.83Å; L84-R114 HydrophobicContact CD2-CG 3.52Å; L84-V118 HydrophobicContact CD2-CG2 3.65Å; L84-V118 HydrophobicContact CG-CG2 4.36Å |
| 85 | E | 84.2 | Confident | 82.9 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | trans | -114.4 | 156.9 | 174.6 | -82.8 | -76.7 | -171.3 | 0 | 0 | 109.7 | P94 V96 Y105 | E85-P94 HydrophobicContact CB-CB 4.06Å; E85-P94 HydrophobicContact CB-CG 3.81Å; E85-P94 PolarHBondContact N-O 2.82Å; E85-P94 VanDerWaalsContact N-O 3.11Å; E85-V96 HydrophobicContact CG-CB 4.06Å; E85-V96 HydrophobicContact CG-CG1 3.76Å; E85-Y105 HydrophobicContact CG-CE1 4.34Å | ||
| 86 | D | 82.8 | Confident | 83.1 | Confident | 129 Ų | 129 | 58.5 Ų | 58.5 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 147.1 | 173.4 | -74.3 | -33.7 | 0 | 0 | 0 | 110.5 | L88 P94 | D86-L88 PolarHBondContact O-N 3.37Å; D86-P94 WeakPolarHBondContact O-CG 3.3Å |
| 87 | P | 81.6 | Confident | 83.4 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -50 | 124.5 | 177.4 | -29.3 | 36.5 | 0 | 0 | 0 | 112.8 | P92 | P87-P92 VanDerWaalsContact CB-O 3.27Å; P87-P92 WeakPolarHBondContact CB-O 3.38Å; P87-P92 WeakPolarHBondContact CG-O 3.48Å |
| 88 | L | 76.1 | Confident | 83.3 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 155.7 | 173.8 | -61.7 | 168.8 | 0 | 0 | 0 | 109.4 | D86 V90 L91 | D86-L88 PolarHBondContact O-N 3.37Å; L88-V90 PolarHBondContact O-N 3.33Å; L88-L91 HydrophobicContact CB-CB 4.18Å; L88-L91 HydrophobicContact CD1-CB 4.49Å; L88-L91 HydrophobicContact CD1-CD1 4.3Å; L88-L91 PolarHBondContact N-O 3.36Å; L88-L91 CarbonylContact O-C 3.53Å; L88-L91 PolarHBondContact O-N 2.94Å; L88-L91 VanDerWaalsContact O-O 3.09Å |
| 89 | A | 74.1 | Confident | 83.6 | Confident | 111 Ų | 111 | 54 Ų | 54 | 92% | 0.917 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -53.8 | -27.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 90 | V | 78.6 | Confident | 83.7 | Confident | 31 Ų | 31 | 52 Ų | 52 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -107.6 | -17.7 | -177.7 | -167.2 | 0 | 0 | 0 | 0 | 112.3 | L21 P41 T45 L88 | L21-V90 WeakPolarHBondContact CD2-O 3.47Å; P41-V90 HydrophobicContact CB-CG1 3.97Å; T45-V90 HydrophobicContact CG2-CG1 3.41Å; T45-V90 VanDerWaalsContact CG2-CG1 3.41Å; L88-V90 PolarHBondContact O-N 3.33Å |
| 91 | L | 83.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -128.8 | 94.4 | -175.3 | -65.7 | -179.2 | 0 | 0 | 0 | 108.8 | L21 Y23 T45 L88 Y93 P94 | L21-L91 HydrophobicContact CB-CD2 4.33Å; L21-L91 HydrophobicContact CD2-CD2 3.87Å; L21-L91 HydrophobicContact CG-CD2 3.99Å; Y23-L91 HydrophobicContact CD2-CD1 4.37Å; Y23-L91 HydrophobicContact CE1-CD1 4.49Å; Y23-L91 HydrophobicContact CE2-CD1 3.71Å; T45-L91 HydrophobicContact CG2-CD2 3.82Å; L88-L91 HydrophobicContact CB-CB 4.18Å; L88-L91 HydrophobicContact CD1-CB 4.49Å; L88-L91 HydrophobicContact CD1-CD1 4.3Å; L88-L91 PolarHBondContact N-O 3.36Å; L88-L91 CarbonylContact O-C 3.53Å; L88-L91 PolarHBondContact O-N 2.94Å; L88-L91 VanDerWaalsContact O-O 3.09Å; L91-Y93 PolarHBondContact O-N 2.91Å; L91-P94 HydrophobicContact CB-CB 4.12Å; L91-P94 WeakPolarHBondContact O-CD 3.3Å | ||
| 92 | P | 83.1 | Confident | 83.5 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -68.9 | -33.1 | -168 | 24.5 | -34.4 | 0 | 0 | 0 | 114.7 | P87 S107 | P87-P92 VanDerWaalsContact CB-O 3.27Å; P87-P92 WeakPolarHBondContact CB-O 3.38Å; P87-P92 WeakPolarHBondContact CG-O 3.48Å; P92-S107 WeakPolarHBondContact CD-OG 3.39Å |
| 93 | Y | 91.6 | Very high | 83.4 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 69.8 | -179.3 | -55.3 | -64.6 | 0 | 0 | 0 | 110.6 | L91 S107 C108 F109 E111 | L91-Y93 PolarHBondContact O-N 2.91Å; Y93-S107 PolarHBondContact N-OG 3.06Å; Y93-S107 WeakPolarHBondContact O-CA 3.45Å; Y93-S107 PolarHBondContact O-OG 3.37Å; Y93-C108 PolarHBondContact O-N 3Å; Y93-C108 VanDerWaalsContact O-N 3.08Å; Y93-F109 WeakPolarHBondContact CE2-O 3.5Å; Y93-E111 HydrophobicContact CD1-CB 3.76Å; Y93-E111 HydrophobicContact CD1-CG 3.97Å; Y93-E111 HydrophobicContact CE1-CB 3.75Å; Y93-E111 HydrophobicContact CE1-CG 4.19Å; Y93-E111 HydrophobicContact CG-CB 4.34Å |
| 94 | P | 91.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 152.2 | -167.3 | 30.1 | -28.3 | 0 | 0 | 0 | 113.4 | E85 D86 L91 F106 | E85-P94 HydrophobicContact CB-CB 4.06Å; E85-P94 HydrophobicContact CB-CG 3.81Å; E85-P94 PolarHBondContact N-O 2.82Å; E85-P94 VanDerWaalsContact N-O 3.11Å; D86-P94 WeakPolarHBondContact O-CG 3.3Å; L91-P94 HydrophobicContact CB-CB 4.12Å; L91-P94 WeakPolarHBondContact O-CD 3.3Å; P94-F106 CarbonylContact C-O 3.6Å; P94-F106 WeakPolarHBondContact CA-O 3.39Å |
| 95 | F | 92.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150.4 | 160.5 | 67.7 | -91.7 | 0 | 0 | 0 | 108.8 | L20 Q83 L84 I97 F106 W117 V118 I121 | L20-F95 HydrophobicContact CD1-CE1 4.28Å; L20-F95 HydrophobicContact CD1-CZ 3.85Å; L20-F95 HydrophobicContact CD2-CE1 4.04Å; L20-F95 HydrophobicContact CD2-CZ 4.43Å; Q83-F95 CarbonylContact O-C 3.48Å; Q83-F95 VanDerWaalsContact O-CA 3.22Å; Q83-F95 WeakPolarHBondContact O-CA 3.46Å; Q83-F95 WeakPolarHBondContact O-CB 3.47Å; L84-F95 HydrophobicContact CD2-CB 4.2Å; F95-I97 HydrophobicContact CD2-CG1 4.37Å; F95-I97 HydrophobicContact CE2-CD1 4.33Å; F95-I97 HydrophobicContact CE2-CG1 4.22Å; F95-F106 HydrophobicContact CD1-CB 4.05Å; F95-F106 HydrophobicContact CD2-CB 4.15Å; F95-F106 HydrophobicContact CD2-CD2 4.39Å; F95-F106 HydrophobicContact CE1-CB 3.53Å; F95-F106 HydrophobicContact CE2-CB 3.64Å; F95-F106 AromaticContact CE2-CD2 3.72Å; F95-F106 HydrophobicContact CE2-CD2 3.72Å; F95-F106 AromaticContact CE2-CG 3.95Å; F95-F106 HydrophobicContact CE2-CG 3.95Å; F95-F106 HydrophobicContact CG-CB 4.35Å; F95-F106 HydrophobicContact CZ-CB 3.32Å; F95-F106 HydrophobicContact CZ-CD2 4.11Å; F95-F106 AromaticContact CZ-CG 3.85Å; F95-F106 HydrophobicContact CZ-CG 3.85Å; F95-F106 PolarHBondContact N-O 2.97Å; F95-F106 PolarHBondContact O-N 3.37Å; F95-F106 VanDerWaalsContact O-O 3.05Å; F95-W117 HydrophobicContact CD1-CB 4.31Å; F95-W117 HydrophobicContact CE1-CB 3.77Å; F95-W117 AromaticContact CE1-CG 3.94Å; F95-W117 HydrophobicContact CE1-CG 3.94Å; F95-W117 HydrophobicContact CE2-CB 4.34Å; F95-W117 HydrophobicContact CZ-CB 3.77Å; F95-W117 HydrophobicContact CZ-CD2 4.19Å; F95-W117 HydrophobicContact CZ-CE3 4.47Å; F95-W117 AromaticContact CZ-CG 3.9Å; F95-W117 HydrophobicContact CZ-CG 3.9Å; F95-V118 HydrophobicContact CB-CG2 3.88Å; F95-V118 HydrophobicContact CG-CG2 4.34Å; F95-I121 HydrophobicContact CD2-CD1 4.24Å; F95-I121 HydrophobicContact CE2-CD1 3.57Å; F95-I121 HydrophobicContact CZ-CD1 4.31Å |
| 96 | V | 89.6 | Confident | 84.1 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.9 | -178.6 | 66.3 | 0 | 0 | 0 | 0 | 110.3 | A82 Q83 E85 K103 Y104 Y105 | A82-V96 WeakPolarHBondContact CA-O 3.47Å; Q83-V96 HydrophobicContact CB-CG1 4.22Å; Q83-V96 PolarHBondContact N-O 3.21Å; Q83-V96 PolarHBondContact O-N 2.82Å; E85-V96 HydrophobicContact CG-CB 4.06Å; E85-V96 HydrophobicContact CG-CG1 3.76Å; V96-K103 HydrophobicContact CG2-CB 3.86Å; V96-K103 HydrophobicContact CG2-CD 4.48Å; V96-K103 HydrophobicContact CG2-CG 4.22Å; V96-Y104 WeakPolarHBondContact CA-O 3.46Å; V96-Y105 HydrophobicContact CB-CD1 4.14Å; V96-Y105 HydrophobicContact CB-CE1 4.07Å; V96-Y105 HydrophobicContact CG2-CD1 4.12Å; V96-Y105 HydrophobicContact CG2-CD2 4.49Å; V96-Y105 HydrophobicContact CG2-CE1 3.92Å; V96-Y105 HydrophobicContact CG2-CE2 4.3Å; V96-Y105 HydrophobicContact CG2-CG 4.4Å |
| 97 | I | 89.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.8 | 168.6 | -51.4 | 177.9 | 0 | 0 | 0 | 107.4 | M57 L77 C80 V81 F95 K103 Y104 F106 I121 | M57-I97 HydrophobicContact CE-CD1 4.5Å; M57-I97 HydrophobicContact SD-CD1 3.91Å; L77-I97 HydrophobicContact CD2-CD1 4.45Å; L77-I97 HydrophobicContact CD2-CG2 4.18Å; C80-I97 HydrophobicContact CB-CG2 3.87Å; V81-I97 CarbonylContact O-C 3.5Å; V81-I97 WeakPolarHBondContact O-CA 3.29Å; F95-I97 HydrophobicContact CD2-CG1 4.37Å; F95-I97 HydrophobicContact CE2-CD1 4.33Å; F95-I97 HydrophobicContact CE2-CG1 4.22Å; I97-K103 CarbonylContact O-C 3.55Å; I97-K103 WeakPolarHBondContact O-CA 3.39Å; I97-Y104 HydrophobicContact CB-CD2 4.3Å; I97-Y104 HydrophobicContact CG2-CD2 4.48Å; I97-Y104 PolarHBondContact N-O 3.08Å; I97-Y104 WeakPolarHBondContact O-CD2 3.43Å; I97-Y104 PolarHBondContact O-N 3.3Å; I97-F106 HydrophobicContact CD1-CD2 4.07Å; I97-F106 HydrophobicContact CD1-CE2 3.75Å; I97-F106 HydrophobicContact CG1-CD2 4.27Å; I97-F106 HydrophobicContact CG1-CE2 4.25Å; I97-I121 HydrophobicContact CD1-CD1 3.58Å; I97-I121 HydrophobicContact CD1-CG1 4.35Å; I97-I121 HydrophobicContact CD1-CG2 4.42Å; I97-I121 HydrophobicContact CG1-CD1 4Å |
| 98 | T | 83.9 | Confident | 85 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 23% | 0.233 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.3 | 176.5 | -53.4 | 0 | 0 | 0 | 0 | 110 | C80 V81 R102 K103 | C80-T98 CarbonylContact C-O 3.51Å; C80-T98 VanDerWaalsContact CA-O 3.27Å; C80-T98 WeakPolarHBondContact CA-O 3.27Å; V81-T98 PolarHBondContact N-O 3.43Å; V81-T98 PolarHBondContact O-N 3.43Å; T98-R102 CarbonylContact C-O 3.52Å; T98-R102 VanDerWaalsContact CA-O 3.26Å; T98-R102 WeakPolarHBondContact CA-O 3.27Å; T98-K103 HydrophobicContact CG2-CG 4.38Å |
| 99 | Q | 79.7 | Confident | 85.6 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 122.7 | 178.8 | -178.5 | -176.3 | 12.6 | 0 | 0 | 110.5 | L76 C80 D101 R102 Y104 | L76-Q99 VanDerWaalsContact O-CD 3.24Å; L76-Q99 PolarHBondContact O-NE2 2.78Å; L76-Q99 PolarHBondContact O-OE1 3.07Å; C80-Q99 HydrophobicContact CB-CB 4.49Å; Q99-D101 VanDerWaalsContact C-N 3.28Å; Q99-D101 PolarHBondContact O-N 2.96Å; Q99-R102 PolarHBondContact N-O 2.84Å; Q99-R102 WeakPolarHBondContact O-CA 3.26Å; Q99-R102 WeakPolarHBondContact O-CB 3.47Å; Q99-R102 WeakPolarHBondContact O-CG 3.47Å; Q99-R102 PolarHBondContact O-N 3.06Å; Q99-Y104 HydrophobicContact CB-CE2 4.45Å |
| 100 | Y | 77.7 | Confident | 86.2 | Confident | 128 Ų | 128 | 43.8 Ų | 43.8 | 50% | 0.502 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 50.8 | -178.6 | -52.8 | -62.1 | 0 | 0 | 0 | 112.2 | E78 R79 R102 | E78-Y100 PolarHBondContact OE2-OH 3.31Å; R79-Y100 HydrophobicContact CB-CE1 4.43Å; Y100-R102 PolarHBondContact O-N 2.85Å; Y100-R102 VanDerWaalsContact O-N 3.09Å |
| 101 | D | 73.9 | Confident | 86.4 | Confident | 162 Ų | 162 | 47.3 Ų | 47.3 | 87% | 0.866 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 6.4 | -175.8 | -53.2 | -37.7 | 0 | 0 | 0 | 116.3 | Q99 | Q99-D101 VanDerWaalsContact C-N 3.28Å; Q99-D101 PolarHBondContact O-N 2.96Å |
| 102 | R | 79.2 | Confident | 86.2 | Confident | 135 Ų | 135 | 54.8 Ų | 54.8 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.2 | 173.8 | -51.5 | -174.1 | 175.3 | -179 | 0.9 | 110.4 | M27 T98 Q99 Y100 Y104 | M27-R102 HydrophobicContact CE-CB 4.13Å; M27-R102 HydrophobicContact CE-CG 3.73Å; M27-R102 HydrophobicContact SD-CB 3.84Å; M27-R102 HydrophobicContact SD-CG 4.05Å; T98-R102 CarbonylContact C-O 3.52Å; T98-R102 VanDerWaalsContact CA-O 3.26Å; T98-R102 WeakPolarHBondContact CA-O 3.27Å; Q99-R102 PolarHBondContact N-O 2.84Å; Q99-R102 WeakPolarHBondContact O-CA 3.26Å; Q99-R102 WeakPolarHBondContact O-CB 3.47Å; Q99-R102 WeakPolarHBondContact O-CG 3.47Å; Q99-R102 PolarHBondContact O-N 3.06Å; Y100-R102 PolarHBondContact O-N 2.85Å; Y100-R102 VanDerWaalsContact O-N 3.09Å; R102-Y104 HydrophobicContact CB-CE2 4.07Å; R102-Y104 WeakPolarHBondContact CD-OH 3.49Å |
| 103 | K | 84.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.4 | 175.3 | -65.5 | -177 | -175.9 | 176.3 | 0 | 110.5 | E30 V96 I97 T98 Y105 | E30-K103 IonicContact OE1-NZ 3.55Å; E30-K103 PolarHBondContact OE1-NZ 2.83Å; V96-K103 HydrophobicContact CG2-CB 3.86Å; V96-K103 HydrophobicContact CG2-CD 4.48Å; V96-K103 HydrophobicContact CG2-CG 4.22Å; I97-K103 CarbonylContact O-C 3.55Å; I97-K103 WeakPolarHBondContact O-CA 3.39Å; T98-K103 HydrophobicContact CG2-CG 4.38Å; K103-Y105 HydrophobicContact CB-CD2 4.42Å; K103-Y105 HydrophobicContact CB-CE2 3.79Å; K103-Y105 HydrophobicContact CD-CE2 4.31Å; K103-Y105 WeakPolarHBondContact CD-OH 3.26Å |
| 104 | Y | 88.7 | Confident | 86.1 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 113.8 | 173.4 | -51.9 | -80.1 | 0 | 0 | 0 | 109.1 | L26 M27 I75 V96 I97 Q99 R102 | L26-Y104 HydrophobicContact CD2-CD1 3.65Å; L26-Y104 HydrophobicContact CD2-CE1 3.91Å; L26-Y104 HydrophobicContact CG-CD1 4.03Å; M27-Y104 HydrophobicContact SD-CE1 3.88Å; I75-Y104 HydrophobicContact CD1-CD1 4.03Å; I75-Y104 HydrophobicContact CD1-CD2 4.18Å; I75-Y104 HydrophobicContact CD1-CE1 4.49Å; I75-Y104 HydrophobicContact CD1-CG 3.84Å; I75-Y104 HydrophobicContact CG2-CD2 4.44Å; I75-Y104 HydrophobicContact CG2-CE2 4.21Å; V96-Y104 WeakPolarHBondContact CA-O 3.46Å; I97-Y104 HydrophobicContact CB-CD2 4.3Å; I97-Y104 HydrophobicContact CG2-CD2 4.48Å; I97-Y104 PolarHBondContact N-O 3.08Å; I97-Y104 WeakPolarHBondContact O-CD2 3.43Å; I97-Y104 PolarHBondContact O-N 3.3Å; Q99-Y104 HydrophobicContact CB-CE2 4.45Å; R102-Y104 HydrophobicContact CB-CE2 4.07Å; R102-Y104 WeakPolarHBondContact CD-OH 3.49Å |
| 105 | Y | 89.8 | Confident | 85.6 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 12% | 0.122 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129.1 | 179.7 | -69.3 | -90.1 | 0 | 0 | 0 | 110.9 | T22 Y23 E85 V96 K103 | T22-Y105 WeakPolarHBondContact CB-O 3.46Å; T22-Y105 PolarHBondContact OG1-O 3.01Å; Y23-Y105 HydrophobicContact CE2-CD2 4.35Å; Y23-Y105 HydrophobicContact CE2-CG 4.21Å; E85-Y105 HydrophobicContact CG-CE1 4.34Å; V96-Y105 HydrophobicContact CB-CD1 4.14Å; V96-Y105 HydrophobicContact CB-CE1 4.07Å; V96-Y105 HydrophobicContact CG2-CD1 4.12Å; V96-Y105 HydrophobicContact CG2-CD2 4.49Å; V96-Y105 HydrophobicContact CG2-CE1 3.92Å; V96-Y105 HydrophobicContact CG2-CE2 4.3Å; V96-Y105 HydrophobicContact CG2-CG 4.4Å; K103-Y105 HydrophobicContact CB-CD2 4.42Å; K103-Y105 HydrophobicContact CB-CE2 3.79Å; K103-Y105 HydrophobicContact CD-CE2 4.31Å; K103-Y105 WeakPolarHBondContact CD-OH 3.26Å |
| 106 | F | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.2 | 173.2 | -64.3 | -79.7 | 0 | 0 | 0 | 109.1 | L20 L21 T22 M57 L59 I75 P94 F95 I97 | L20-F106 HydrophobicContact CB-CD1 4.36Å; L20-F106 HydrophobicContact CD1-CB 4.21Å; L20-F106 HydrophobicContact CD1-CD1 3.87Å; L20-F106 HydrophobicContact CD1-CG 4.18Å; L21-F106 CarbonylContact O-C 3.57Å; L21-F106 WeakPolarHBondContact O-CA 3.21Å; T22-F106 HydrophobicContact CG2-CE1 4.42Å; M57-F106 HydrophobicContact CE-CD1 3.84Å; M57-F106 HydrophobicContact CE-CD2 4.05Å; M57-F106 HydrophobicContact CE-CE1 3.38Å; M57-F106 HydrophobicContact CE-CE2 3.59Å; M57-F106 HydrophobicContact CE-CG 4.16Å; M57-F106 HydrophobicContact CE-CZ 3.25Å; L59-F106 HydrophobicContact CD1-CE1 3.92Å; L59-F106 HydrophobicContact CD1-CZ 4.05Å; L59-F106 HydrophobicContact CD2-CE1 3.95Å; L59-F106 HydrophobicContact CD2-CZ 4.47Å; I75-F106 HydrophobicContact CD1-CE2 3.95Å; I75-F106 HydrophobicContact CD1-CZ 3.65Å; P94-F106 CarbonylContact C-O 3.6Å; P94-F106 WeakPolarHBondContact CA-O 3.39Å; F95-F106 HydrophobicContact CD1-CB 4.05Å; F95-F106 HydrophobicContact CD2-CB 4.15Å; F95-F106 HydrophobicContact CD2-CD2 4.39Å; F95-F106 HydrophobicContact CE1-CB 3.53Å; F95-F106 HydrophobicContact CE2-CB 3.64Å; F95-F106 AromaticContact CE2-CD2 3.72Å; F95-F106 HydrophobicContact CE2-CD2 3.72Å; F95-F106 AromaticContact CE2-CG 3.95Å; F95-F106 HydrophobicContact CE2-CG 3.95Å; F95-F106 HydrophobicContact CG-CB 4.35Å; F95-F106 HydrophobicContact CZ-CB 3.32Å; F95-F106 HydrophobicContact CZ-CD2 4.11Å; F95-F106 AromaticContact CZ-CG 3.85Å; F95-F106 HydrophobicContact CZ-CG 3.85Å; F95-F106 PolarHBondContact N-O 2.97Å; F95-F106 PolarHBondContact O-N 3.37Å; F95-F106 VanDerWaalsContact O-O 3.05Å; I97-F106 HydrophobicContact CD1-CD2 4.07Å; I97-F106 HydrophobicContact CD1-CE2 3.75Å; I97-F106 HydrophobicContact CG1-CD2 4.27Å; I97-F106 HydrophobicContact CG1-CE2 4.25Å |
| 107 | S | 92.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136.9 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | L21 P92 Y93 | L21-S107 PolarHBondContact N-O 2.9Å; L21-S107 PolarHBondContact O-N 2.84Å; P92-S107 WeakPolarHBondContact CD-OG 3.39Å; Y93-S107 PolarHBondContact N-OG 3.06Å; Y93-S107 WeakPolarHBondContact O-CA 3.45Å; Y93-S107 PolarHBondContact O-OG 3.37Å |
| 108 | C | 92.3 | Very high | 85.2 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 163.6 | 169 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | Y93 A110 D113 | Y93-C108 PolarHBondContact O-N 3Å; Y93-C108 VanDerWaalsContact O-N 3.08Å; C108-A110 VanDerWaalsContact CB-O 3.27Å; C108-A110 WeakPolarHBondContact CB-O 3.45Å; C108-D113 HydrophobicContact CB-CB 3.87Å |
| 109 | F | 88.4 | Confident | 85.2 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -87 | -19 | 171.5 | -68.6 | -82.3 | 0 | 0 | 0 | 112.7 | M19 L21 T47 Y93 | M19-F109 HydrophobicContact CB-CD2 4.31Å; M19-F109 HydrophobicContact CB-CE2 3.93Å; L21-F109 HydrophobicContact CB-CZ 4.4Å; T47-F109 HydrophobicContact CG2-CE2 4.08Å; T47-F109 HydrophobicContact CG2-CZ 3.82Å; Y93-F109 WeakPolarHBondContact CE2-O 3.5Å |
| 110 | A | 85.7 | Confident | 85.4 | Confident | 29 Ų | 29 | 63 Ų | 63 | 24% | 0.24 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -126.3 | 144.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | C108 E112 D113 | C108-A110 VanDerWaalsContact CB-O 3.27Å; C108-A110 WeakPolarHBondContact CB-O 3.45Å; A110-E112 VanDerWaalsContact C-N 3.29Å; A110-E112 HydrophobicContact CB-CG 4.03Å; A110-E112 PolarHBondContact O-N 2.92Å; A110-D113 PolarHBondContact O-N 3.22Å |
| 111 | E | 83.4 | Confident | 85.9 | Confident | 106 Ų | 106 | 57 Ų | 57 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -35.8 | -179.3 | -167.6 | -175.9 | 166.3 | 0 | 0 | 112.2 | Y93 D113 R114 | Y93-E111 HydrophobicContact CD1-CB 3.76Å; Y93-E111 HydrophobicContact CD1-CG 3.97Å; Y93-E111 HydrophobicContact CE1-CB 3.75Å; Y93-E111 HydrophobicContact CE1-CG 4.19Å; Y93-E111 HydrophobicContact CG-CB 4.34Å; E111-D113 PolarHBondContact O-N 3.01Å; E111-R114 WeakPolarHBondContact O-CG 3.48Å; E111-R114 PolarHBondContact O-N 3.37Å; E111-R114 IonicContact OE1-CZ 2.88Å; E111-R114 IonicContact OE1-NE 3.26Å; E111-R114 IonicContact OE1-NH2 3.37Å; E111-R114 PolarHBondContact OE1-NH2 3.42Å |
| 112 | E | 80.4 | Confident | 86.2 | Confident | 157 Ų | 157 | 52.9 Ų | 52.9 | 73% | 0.734 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.4 | -30.2 | -178.5 | 55.2 | -170.7 | -176.6 | 0 | 0 | 113.5 | A110 R114 | A110-E112 VanDerWaalsContact C-N 3.29Å; A110-E112 HydrophobicContact CB-CG 4.03Å; A110-E112 PolarHBondContact O-N 2.92Å; E112-R114 PolarHBondContact O-N 2.77Å |
| 113 | D | 86.2 | Confident | 86 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.8 | -23.7 | -175.7 | -79.2 | -40.2 | 0 | 0 | 0 | 114.3 | C108 A110 E111 D116 W117 | C108-D113 HydrophobicContact CB-CB 3.87Å; A110-D113 PolarHBondContact O-N 3.22Å; E111-D113 PolarHBondContact O-N 3.01Å; D113-D116 PolarHBondContact O-N 3.37Å; D113-W117 PolarHBondContact O-N 2.95Å |
| 114 | R | 86 | Confident | 85.7 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 18% | 0.177 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | -172.2 | 72.5 | -166.2 | 174.4 | 144.8 | -7 | 112.3 | L84 E111 E112 D116 W117 V118 | L84-R114 HydrophobicContact CD1-CG 4.34Å; L84-R114 HydrophobicContact CD2-CB 3.83Å; L84-R114 HydrophobicContact CD2-CG 3.52Å; E111-R114 WeakPolarHBondContact O-CG 3.48Å; E111-R114 PolarHBondContact O-N 3.37Å; E111-R114 IonicContact OE1-CZ 2.88Å; E111-R114 IonicContact OE1-NE 3.26Å; E111-R114 IonicContact OE1-NH2 3.37Å; E111-R114 PolarHBondContact OE1-NH2 3.42Å; E112-R114 PolarHBondContact O-N 2.77Å; R114-D116 VanDerWaalsContact C-N 3.29Å; R114-D116 PolarHBondContact O-N 3.26Å; R114-W117 PolarHBondContact O-N 2.92Å; R114-V118 WeakPolarHBondContact O-CG2 3.25Å; R114-V118 PolarHBondContact O-N 3.06Å |
| 115 | A | 81.1 | Confident | 85.1 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 22% | 0.223 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.3 | -35.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | R119 | A115-R119 WeakPolarHBondContact O-CB 3.39Å; A115-R119 WeakPolarHBondContact O-CG 3.27Å; A115-R119 PolarHBondContact O-N 3.35Å |
| 116 | D | 85.2 | Confident | 84.3 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 175.4 | -76 | 7.8 | 0 | 0 | 0 | 112.1 | K16 D113 R114 R119 A120 | K16-D116 IonicContact NZ-OD2 2.71Å; D113-D116 PolarHBondContact O-N 3.37Å; R114-D116 VanDerWaalsContact C-N 3.29Å; R114-D116 PolarHBondContact O-N 3.26Å; D116-R119 PolarHBondContact O-N 3.42Å; D116-R119 IonicContact OD1-CZ 3.82Å; D116-R119 IonicContact OD1-NH1 3.76Å; D116-R119 PolarHBondContact OD1-NH1 3.39Å; D116-R119 IonicContact OD1-NH2 2.97Å; D116-A120 VanDerWaalsContact O-CB 3.24Å; D116-A120 WeakPolarHBondContact O-CB 3.31Å; D116-A120 PolarHBondContact O-N 2.92Å |
| 117 | W | 90.8 | Very high | 83 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 174 | -91.5 | 108.5 | 0 | 0 | 0 | 112.3 | K16 S18 L20 A50 L52 M57 F95 D113 R114 R119 A120 I121 | K16-W117 HydrophobicContact CB-CH2 4.38Å; K16-W117 HydrophobicContact CB-CZ3 4.41Å; K16-W117 HydrophobicContact CD-CD2 3.74Å; K16-W117 HydrophobicContact CD-CE3 4.12Å; K16-W117 HydrophobicContact CD-CG 3.98Å; K16-W117 HydrophobicContact CD-CZ2 4.4Å; K16-W117 VanDerWaalsContact CE-CG 3.5Å; K16-W117 HydrophobicContact CG-CD2 4.33Å; K16-W117 HydrophobicContact CG-CH2 4.34Å; K16-W117 HydrophobicContact CG-CZ2 4.12Å; S18-W117 VanDerWaalsContact OG-CE2 3.25Å; S18-W117 WeakPolarHBondContact OG-CZ2 3.34Å; S18-W117 PolarHBondContact OG-NE1 3.49Å; L20-W117 HydrophobicContact CD1-CD2 4.33Å; L20-W117 HydrophobicContact CD1-CH2 4.37Å; L20-W117 HydrophobicContact CD1-CZ2 3.95Å; L20-W117 HydrophobicContact CG-CZ2 4.27Å; A50-W117 HydrophobicContact CB-CH2 3.75Å; A50-W117 HydrophobicContact CB-CZ2 3.98Å; L52-W117 HydrophobicContact CB-CZ3 4.07Å; M57-W117 HydrophobicContact SD-CZ3 4.21Å; F95-W117 HydrophobicContact CD1-CB 4.31Å; F95-W117 HydrophobicContact CE1-CB 3.77Å; F95-W117 AromaticContact CE1-CG 3.94Å; F95-W117 HydrophobicContact CE1-CG 3.94Å; F95-W117 HydrophobicContact CE2-CB 4.34Å; F95-W117 HydrophobicContact CZ-CB 3.77Å; F95-W117 HydrophobicContact CZ-CD2 4.19Å; F95-W117 HydrophobicContact CZ-CE3 4.47Å; F95-W117 AromaticContact CZ-CG 3.9Å; F95-W117 HydrophobicContact CZ-CG 3.9Å; D113-W117 PolarHBondContact O-N 2.95Å; R114-W117 PolarHBondContact O-N 2.92Å; W117-R119 VanDerWaalsContact C-N 3.34Å; W117-R119 PolarHBondContact O-N 2.95Å; W117-A120 PolarHBondContact O-N 3.3Å; W117-I121 HydrophobicContact CE3-CD1 4.11Å; W117-I121 HydrophobicContact CE3-CG1 4.28Å; W117-I121 WeakPolarHBondContact O-CB 3.33Å; W117-I121 WeakPolarHBondContact O-CD1 3.35Å; W117-I121 VanDerWaalsContact O-CG1 3.29Å; W117-I121 WeakPolarHBondContact O-CG1 3.42Å; W117-I121 PolarHBondContact O-N 2.92Å |
| 118 | V | 87.6 | Confident | 81.9 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 111 | A82 L84 F95 R114 A120 I121 I122 | A82-V118 HydrophobicContact CB-CB 4.49Å; A82-V118 HydrophobicContact CB-CG1 4.1Å; A82-V118 HydrophobicContact CB-CG2 4.38Å; A82-V118 WeakPolarHBondContact O-CG1 3.43Å; L84-V118 HydrophobicContact CD2-CG2 3.65Å; L84-V118 HydrophobicContact CG-CG2 4.36Å; F95-V118 HydrophobicContact CB-CG2 3.88Å; F95-V118 HydrophobicContact CG-CG2 4.34Å; R114-V118 WeakPolarHBondContact O-CG2 3.25Å; R114-V118 PolarHBondContact O-N 3.06Å; V118-A120 PolarHBondContact O-N 2.96Å; V118-I121 PolarHBondContact O-N 2.88Å; V118-I122 HydrophobicContact CG1-CD1 3.61Å; V118-I122 HydrophobicContact CG1-CG1 4.41Å; V118-I122 WeakPolarHBondContact O-CB 3.45Å; V118-I122 VanDerWaalsContact O-CG1 3.23Å; V118-I122 WeakPolarHBondContact O-CG1 3.38Å; V118-I122 PolarHBondContact O-N 3.09Å |
| 119 | R | 82.1 | Confident | 80.7 | Confident | 144 Ų | 144 | 62.5 Ų | 62.5 | 54% | 0.543 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.9 | -75.2 | -171.1 | -125.6 | 105.5 | 1.9 | 112.1 | A115 D116 W117 S123 | A115-R119 WeakPolarHBondContact O-CB 3.39Å; A115-R119 WeakPolarHBondContact O-CG 3.27Å; A115-R119 PolarHBondContact O-N 3.35Å; D116-R119 PolarHBondContact O-N 3.42Å; D116-R119 IonicContact OD1-CZ 3.82Å; D116-R119 IonicContact OD1-NH1 3.76Å; D116-R119 PolarHBondContact OD1-NH1 3.39Å; D116-R119 IonicContact OD1-NH2 2.97Å; W117-R119 VanDerWaalsContact C-N 3.34Å; W117-R119 PolarHBondContact O-N 2.95Å; R119-S123 VanDerWaalsContact O-CB 3.31Å; R119-S123 WeakPolarHBondContact O-CB 3.45Å; R119-S123 PolarHBondContact O-N 3.5Å; R119-S123 PolarHBondContact O-OG 2.9Å |
| 120 | A | 85.4 | Confident | 79.7 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | K16 L52 D116 W117 V118 S123 C124 | K16-A120 HydrophobicContact CB-CB 4.16Å; K16-A120 HydrophobicContact CD-CB 3.93Å; L52-A120 HydrophobicContact CD2-CB 3.92Å; D116-A120 VanDerWaalsContact O-CB 3.24Å; D116-A120 WeakPolarHBondContact O-CB 3.31Å; D116-A120 PolarHBondContact O-N 2.92Å; W117-A120 PolarHBondContact O-N 3.3Å; V118-A120 PolarHBondContact O-N 2.96Å; A120-S123 PolarHBondContact O-N 3.45Å; A120-S123 PolarHBondContact O-OG 3.3Å; A120-C124 WeakPolarHBondContact O-CB 3.09Å; A120-C124 PolarHBondContact O-N 3.41Å; A120-C124 VanDerWaalsContact O-N 3.14Å; A120-C124 PolarHBondContact O-SG 2.88Å |
| 121 | I | 87.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 178.6 | -69.3 | 158.9 | 0 | 0 | 0 | 111 | L52 L77 A82 F95 I97 W117 V118 S123 C124 S125 | L52-I121 HydrophobicContact CD2-CG1 4.43Å; L77-I121 HydrophobicContact CD1-CG2 4Å; L77-I121 HydrophobicContact CD2-CG2 4.07Å; A82-I121 HydrophobicContact CB-CB 4.17Å; A82-I121 HydrophobicContact CB-CG2 3.79Å; F95-I121 HydrophobicContact CD2-CD1 4.24Å; F95-I121 HydrophobicContact CE2-CD1 3.57Å; F95-I121 HydrophobicContact CZ-CD1 4.31Å; I97-I121 HydrophobicContact CD1-CD1 3.58Å; I97-I121 HydrophobicContact CD1-CG1 4.35Å; I97-I121 HydrophobicContact CD1-CG2 4.42Å; I97-I121 HydrophobicContact CG1-CD1 4Å; W117-I121 HydrophobicContact CE3-CD1 4.11Å; W117-I121 HydrophobicContact CE3-CG1 4.28Å; W117-I121 WeakPolarHBondContact O-CB 3.33Å; W117-I121 WeakPolarHBondContact O-CD1 3.35Å; W117-I121 VanDerWaalsContact O-CG1 3.29Å; W117-I121 WeakPolarHBondContact O-CG1 3.42Å; W117-I121 PolarHBondContact O-N 2.92Å; V118-I121 PolarHBondContact O-N 2.88Å; I121-S123 VanDerWaalsContact C-N 3.28Å; I121-S123 PolarHBondContact O-N 2.97Å; I121-C124 CarbonylContact O-C 3.48Å; I121-C124 PolarHBondContact O-N 2.71Å; I121-S125 PolarHBondContact O-N 2.85Å; I121-S125 VanDerWaalsContact O-N 3.09Å |
| 122 | I | 79.5 | Confident | 77.7 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 40% | 0.395 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 177.8 | -67.6 | 168.3 | 0 | 0 | 0 | 110.7 | A82 V118 C124 S125 M128 | A82-I122 HydrophobicContact CB-CG1 4.19Å; V118-I122 HydrophobicContact CG1-CD1 3.61Å; V118-I122 HydrophobicContact CG1-CG1 4.41Å; V118-I122 WeakPolarHBondContact O-CB 3.45Å; V118-I122 VanDerWaalsContact O-CG1 3.23Å; V118-I122 WeakPolarHBondContact O-CG1 3.38Å; V118-I122 PolarHBondContact O-N 3.09Å; I122-C124 PolarHBondContact O-N 2.82Å; I122-S125 PolarHBondContact O-N 3.24Å; I122-S125 PolarHBondContact O-OG 3.12Å; I122-M128 WeakPolarHBondContact O-CB 3.49Å |
| 123 | S | 75 | Confident | 77.1 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68 | -17.5 | 178.9 | 76.5 | 0 | 0 | 0 | 0 | 114.2 | R119 A120 I121 | R119-S123 VanDerWaalsContact O-CB 3.31Å; R119-S123 WeakPolarHBondContact O-CB 3.45Å; R119-S123 PolarHBondContact O-N 3.5Å; R119-S123 PolarHBondContact O-OG 2.9Å; A120-S123 PolarHBondContact O-N 3.45Å; A120-S123 PolarHBondContact O-OG 3.3Å; I121-S123 VanDerWaalsContact C-N 3.28Å; I121-S123 PolarHBondContact O-N 2.97Å |
| 124 | C | 80 | Confident | 76.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 1.3 | -176.5 | -68.2 | 0 | 0 | 0 | 0 | 113.2 | K15 L52 G54 N55 L77 A120 I121 I122 | K15-C124 VanDerWaalsContact CG-SG 3.6Å; L52-C124 HydrophobicContact CD1-CB 4.25Å; L52-C124 HydrophobicContact CD2-CB 4.03Å; L52-C124 HydrophobicContact CG-CB 4.37Å; G54-C124 VanDerWaalsContact O-CB 3.23Å; G54-C124 WeakPolarHBondContact O-CB 3.44Å; N55-C124 WeakPolarHBondContact CA-O 3.27Å; N55-C124 VanDerWaalsContact CB-O 3.25Å; N55-C124 WeakPolarHBondContact CB-O 3.44Å; L77-C124 HydrophobicContact CD1-CB 4.41Å; A120-C124 WeakPolarHBondContact O-CB 3.09Å; A120-C124 PolarHBondContact O-N 3.41Å; A120-C124 VanDerWaalsContact O-N 3.14Å; A120-C124 PolarHBondContact O-SG 2.88Å; I121-C124 CarbonylContact O-C 3.48Å; I121-C124 PolarHBondContact O-N 2.71Å; I122-C124 PolarHBondContact O-N 2.82Å |
| 125 | S | 75.7 | Confident | 75 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -60.3 | 150 | 172.4 | 75.2 | 0 | 0 | 0 | 0 | 109.8 | L77 I121 I122 E127 M128 L129 | L77-S125 WeakPolarHBondContact O-CA 3.31Å; I121-S125 PolarHBondContact O-N 2.85Å; I121-S125 VanDerWaalsContact O-N 3.09Å; I122-S125 PolarHBondContact O-N 3.24Å; I122-S125 PolarHBondContact O-OG 3.12Å; S125-E127 PolarHBondContact O-N 2.82Å; S125-M128 PolarHBondContact O-N 3.24Å; S125-M128 PolarHBondContact OG-N 3.34Å; S125-L129 PolarHBondContact O-N 3.31Å |
| 126 | Y | 72.4 | Confident | 74.1 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -51.1 | -41.6 | 175.1 | 174.3 | -94.9 | 0 | 0 | 0 | 111.8 | L77 M128 L129 S130 | L77-Y126 PolarHBondContact O-N 2.85Å; Y126-M128 PolarHBondContact O-N 3.01Å; Y126-L129 PolarHBondContact O-N 2.76Å; Y126-S130 VanDerWaalsContact O-CB 3.31Å; Y126-S130 WeakPolarHBondContact O-CB 3.43Å; Y126-S130 PolarHBondContact O-N 2.85Å |
| 127 | E | 66.4 | Low | 73.1 | Confident | 103 Ų | 103 | 67.5 Ų | 67.5 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 178.3 | -63.7 | 165.7 | 172.1 | 0 | 0 | 111.6 | S125 S130 V131 | S125-E127 PolarHBondContact O-N 2.82Å; E127-S130 WeakPolarHBondContact O-CB 3.43Å; E127-S130 PolarHBondContact O-N 2.99Å; E127-V131 WeakPolarHBondContact O-CG2 3.5Å; E127-V131 PolarHBondContact O-N 3.13Å |
| 128 | M | 68.3 | Low | 71.5 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 42% | 0.419 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -75.9 | -34.7 | -178.2 | -156.8 | 52.4 | 56 | 0 | 0 | 112.8 | I122 S125 Y126 V131 G132 | I122-M128 WeakPolarHBondContact O-CB 3.49Å; S125-M128 PolarHBondContact O-N 3.24Å; S125-M128 PolarHBondContact OG-N 3.34Å; Y126-M128 PolarHBondContact O-N 3.01Å; M128-V131 PolarHBondContact O-N 2.85Å; M128-V131 HydrophobicContact SD-CB 4.43Å; M128-G132 PolarHBondContact O-N 2.84Å |
| 129 | L | 67.6 | Low | 70.2 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 34% | 0.34 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 170.7 | -70.4 | 174.7 | 0 | 0 | 0 | 111.4 | N55 S125 Y126 V131 G132 V133 | N55-L129 HydrophobicContact CB-CD1 3.81Å; S125-L129 PolarHBondContact O-N 3.31Å; Y126-L129 PolarHBondContact O-N 2.76Å; L129-V131 VanDerWaalsContact C-N 3.35Å; L129-V131 PolarHBondContact O-N 2.8Å; L129-G132 WeakPolarHBondContact O-CA 3.41Å; L129-G132 PolarHBondContact O-N 2.79Å; L129-G132 VanDerWaalsContact O-N 3.12Å; L129-V133 WeakPolarHBondContact O-CG2 3.49Å; L129-V133 PolarHBondContact O-N 2.76Å |
| 130 | S | 66.8 | Low | 69.4 | Low | 52 Ų | 52 | 73.5 Ų | 73.5 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | Y126 E127 G132 V133 V134 | Y126-S130 VanDerWaalsContact O-CB 3.31Å; Y126-S130 WeakPolarHBondContact O-CB 3.43Å; Y126-S130 PolarHBondContact O-N 2.85Å; E127-S130 WeakPolarHBondContact O-CB 3.43Å; E127-S130 PolarHBondContact O-N 2.99Å; S130-G132 VanDerWaalsContact C-N 3.31Å; S130-G132 PolarHBondContact O-N 2.84Å; S130-V133 PolarHBondContact O-N 2.7Å; S130-V134 WeakPolarHBondContact O-CG2 3.37Å; S130-V134 PolarHBondContact O-N 3.38Å |
| 131 | V | 64.8 | Low | 68 | Low | 85 Ų | 85 | 78.8 Ų | 78.8 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 173.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | E127 M128 L129 V134 R135 | E127-V131 WeakPolarHBondContact O-CG2 3.5Å; E127-V131 PolarHBondContact O-N 3.13Å; M128-V131 PolarHBondContact O-N 2.85Å; M128-V131 HydrophobicContact SD-CB 4.43Å; L129-V131 VanDerWaalsContact C-N 3.35Å; L129-V131 PolarHBondContact O-N 2.8Å; V131-V134 PolarHBondContact O-N 3.02Å; V131-R135 WeakPolarHBondContact O-CB 3.43Å; V131-R135 PolarHBondContact O-N 2.83Å |
| 132 | G | 63.3 | Low | 66.4 | Low | 25 Ų | 25 | 81.5 Ų | 81.5 | 26% | 0.258 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M128 L129 S130 R135 F136 | M128-G132 PolarHBondContact O-N 2.84Å; L129-G132 WeakPolarHBondContact O-CA 3.41Å; L129-G132 PolarHBondContact O-N 2.79Å; L129-G132 VanDerWaalsContact O-N 3.12Å; S130-G132 VanDerWaalsContact C-N 3.31Å; S130-G132 PolarHBondContact O-N 2.84Å; G132-R135 PolarHBondContact O-N 3.06Å; G132-F136 WeakPolarHBondContact O-CD2 3.37Å; G132-F136 PolarHBondContact O-N 2.83Å |
| 133 | V | 67.3 | Low | 65.5 | Low | 82 Ų | 82 | 84.6 Ų | 84.6 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66 | -45.9 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111 | L129 S130 R135 F136 Q137 | L129-V133 WeakPolarHBondContact O-CG2 3.49Å; L129-V133 PolarHBondContact O-N 2.76Å; S130-V133 PolarHBondContact O-N 2.7Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 3.28Å; V133-F136 PolarHBondContact O-N 2.93Å; V133-F136 VanDerWaalsContact O-N 3.12Å; V133-Q137 PolarHBondContact O-N 3.44Å |
| 134 | V | 65.1 | Low | 65 | Low | 66 Ų | 66 | 87.8 Ų | 87.8 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.5 | -44.9 | 174.1 | 171.5 | 0 | 0 | 0 | 0 | 110 | S130 V131 F136 Q137 E138 | S130-V134 WeakPolarHBondContact O-CG2 3.37Å; S130-V134 PolarHBondContact O-N 3.38Å; V131-V134 PolarHBondContact O-N 3.02Å; V134-F136 PolarHBondContact O-N 3.25Å; V134-Q137 WeakPolarHBondContact O-CB 3.47Å; V134-Q137 PolarHBondContact O-N 3.2Å; V134-E138 WeakPolarHBondContact O-CG 3.47Å; V134-E138 PolarHBondContact O-N 3.36Å |
| 135 | R | 62.5 | Low | 63.7 | Low | 142 Ų | 142 | 88.1 Ų | 88.1 | 54% | 0.536 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 176.6 | -165.1 | -179.9 | -173.1 | -178.6 | 3.2 | 113.3 | V131 G132 V133 Q139 | V131-R135 WeakPolarHBondContact O-CB 3.43Å; V131-R135 PolarHBondContact O-N 2.83Å; G132-R135 PolarHBondContact O-N 3.06Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 3.28Å; R135-Q139 VanDerWaalsContact O-CG 3.29Å; R135-Q139 WeakPolarHBondContact O-CG 3.36Å; R135-Q139 PolarHBondContact O-N 2.97Å |
| 136 | F | 63.1 | Low | 62.6 | Low | 130 Ų | 130 | 93.4 Ų | 93.4 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.2 | -39 | 173.8 | -79.5 | -55.3 | 0 | 0 | 0 | 112.2 | G132 V133 V134 E138 Q139 I140 | G132-F136 WeakPolarHBondContact O-CD2 3.37Å; G132-F136 PolarHBondContact O-N 2.83Å; V133-F136 PolarHBondContact O-N 2.93Å; V133-F136 VanDerWaalsContact O-N 3.12Å; V134-F136 PolarHBondContact O-N 3.25Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-Q139 PolarHBondContact O-N 2.91Å; F136-I140 WeakPolarHBondContact O-CG1 3.12Å; F136-I140 PolarHBondContact O-N 2.98Å |
| 137 | Q | 63.9 | Low | 62.1 | Low | 126 Ų | 126 | 93.2 Ų | 93.2 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.6 | -45.3 | 171.9 | -75.5 | -179 | -19.2 | 0 | 0 | 110.6 | V133 V134 Q139 I140 Y141 | V133-Q137 PolarHBondContact O-N 3.44Å; V134-Q137 WeakPolarHBondContact O-CB 3.47Å; V134-Q137 PolarHBondContact O-N 3.2Å; Q137-Q139 PolarHBondContact O-N 3.48Å; Q137-I140 PolarHBondContact O-N 3.37Å; Q137-Y141 VanDerWaalsContact O-CB 3.28Å; Q137-Y141 WeakPolarHBondContact O-CB 3.38Å; Q137-Y141 PolarHBondContact O-N 2.83Å |
| 138 | E | 56.8 | Low | 61.9 | Low | 105 Ų | 105 | 94.4 Ų | 94.4 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.2 | -46.8 | 172.8 | -72 | 170.9 | 169.4 | 0 | 0 | 111.4 | V134 F136 I140 Y141 E142 | V134-E138 WeakPolarHBondContact O-CG 3.47Å; V134-E138 PolarHBondContact O-N 3.36Å; F136-E138 VanDerWaalsContact C-N 3.32Å; E138-I140 PolarHBondContact O-N 3.4Å; E138-Y141 PolarHBondContact O-N 3.27Å; E138-E142 WeakPolarHBondContact O-CB 3.4Å; E138-E142 VanDerWaalsContact O-CG 3.3Å; E138-E142 WeakPolarHBondContact O-CG 3.27Å; E138-E142 PolarHBondContact O-N 3.45Å |
| 139 | Q | 61.2 | Low | 61.4 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 36% | 0.36 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 177.9 | -75.8 | 177.2 | 6.8 | 0 | 0 | 114 | R135 F136 Q137 K143 | R135-Q139 VanDerWaalsContact O-CG 3.29Å; R135-Q139 WeakPolarHBondContact O-CG 3.36Å; R135-Q139 PolarHBondContact O-N 2.97Å; F136-Q139 PolarHBondContact O-N 2.91Å; Q137-Q139 PolarHBondContact O-N 3.48Å; Q139-K143 WeakPolarHBondContact O-CG 3.37Å; Q139-K143 PolarHBondContact O-N 3.44Å |
| 140 | I | 64.4 | Low | 60.7 | Low | 104 Ų | 104 | 91.5 Ų | 91.5 | 53% | 0.533 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 175.7 | -70.8 | 168.6 | 0 | 0 | 0 | 109.5 | F136 Q137 E138 K143 Q144 | F136-I140 WeakPolarHBondContact O-CG1 3.12Å; F136-I140 PolarHBondContact O-N 2.98Å; Q137-I140 PolarHBondContact O-N 3.37Å; E138-I140 PolarHBondContact O-N 3.4Å; I140-K143 WeakPolarHBondContact O-CB 3.32Å; I140-K143 PolarHBondContact O-N 2.96Å; I140-Q144 PolarHBondContact O-N 2.77Å |
| 141 | Y | 57.1 | Low | 59.8 | Low | 123 Ų | 123 | 99.8 Ų | 99.8 | 48% | 0.482 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.3 | -172.6 | -110.5 | 0 | 0 | 0 | 110.9 | Q137 E138 K143 Q144 L145 | Q137-Y141 VanDerWaalsContact O-CB 3.28Å; Q137-Y141 WeakPolarHBondContact O-CB 3.38Å; Q137-Y141 PolarHBondContact O-N 2.83Å; E138-Y141 PolarHBondContact O-N 3.27Å; Y141-K143 VanDerWaalsContact C-N 3.31Å; Y141-K143 PolarHBondContact O-N 3.17Å; Y141-Q144 PolarHBondContact O-N 3.08Å; Y141-Q144 VanDerWaalsContact O-N 3.1Å; Y141-L145 HydrophobicContact CD1-CD1 3.69Å; Y141-L145 HydrophobicContact CD1-CG 4.31Å; Y141-L145 HydrophobicContact CE1-CD1 3.5Å; Y141-L145 VanDerWaalsContact CE1-CD1 3.5Å; Y141-L145 HydrophobicContact CE1-CD2 4.45Å; Y141-L145 HydrophobicContact CE1-CG 4.16Å; Y141-L145 HydrophobicContact CG-CD1 4.49Å; Y141-L145 VanDerWaalsContact O-CG 3.31Å; Y141-L145 WeakPolarHBondContact O-CG 3.49Å; Y141-L145 PolarHBondContact O-N 3.39Å |
| 142 | E | 53.2 | Low | 59 | Low | 57 Ų | 57 | 98.9 Ų | 98.9 | 27% | 0.266 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -52.3 | -45.6 | 171.3 | -80.2 | -179.6 | -162.2 | 0 | 0 | 112.2 | E138 Q144 L145 R146 H275 | E138-E142 WeakPolarHBondContact O-CB 3.4Å; E138-E142 VanDerWaalsContact O-CG 3.3Å; E138-E142 WeakPolarHBondContact O-CG 3.27Å; E138-E142 PolarHBondContact O-N 3.45Å; E142-Q144 PolarHBondContact O-N 3.4Å; E142-L145 PolarHBondContact O-N 2.98Å; E142-R146 VanDerWaalsContact O-CG 3.31Å; E142-R146 WeakPolarHBondContact O-CG 3.45Å; E142-R146 PolarHBondContact O-N 3.49Å; E142-R146 IonicContact OE2-NH2 2.7Å; E142-R146 PolarHBondContact OE2-NH2 2.91Å; E142-H275 IonicContact OE2-CE1 3.1Å; E142-H275 PolarHBondContact OE2-CE1 3.5Å; E142-H275 IonicContact OE2-NE2 3.37Å |
| 143 | K | 60.1 | Low | 58 | Low | 142 Ų | 142 | 107.8 Ų | 107.8 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | 178.3 | -81.4 | 179.8 | 179.7 | 176.1 | 0 | 112.6 | Q139 I140 Y141 R146 N147 | Q139-K143 WeakPolarHBondContact O-CG 3.37Å; Q139-K143 PolarHBondContact O-N 3.44Å; I140-K143 WeakPolarHBondContact O-CB 3.32Å; I140-K143 PolarHBondContact O-N 2.96Å; Y141-K143 VanDerWaalsContact C-N 3.31Å; Y141-K143 PolarHBondContact O-N 3.17Å; K143-R146 PolarHBondContact O-N 2.93Å; K143-N147 PolarHBondContact O-N 2.93Å |
| 144 | Q | 64.5 | Low | 56.7 | Low | 126 Ų | 126 | 114.8 Ų | 114.8 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 174.9 | -70.7 | -179.3 | -19.5 | 0 | 0 | 111.1 | I140 Y141 E142 R146 N147 K148 | I140-Q144 PolarHBondContact O-N 2.77Å; Y141-Q144 PolarHBondContact O-N 3.08Å; Y141-Q144 VanDerWaalsContact O-N 3.1Å; E142-Q144 PolarHBondContact O-N 3.4Å; Q144-R146 PolarHBondContact O-N 3.47Å; Q144-N147 WeakPolarHBondContact O-CB 3.48Å; Q144-N147 PolarHBondContact O-N 3.22Å; Q144-N147 VanDerWaalsContact O-N 3.16Å; Q144-K148 PolarHBondContact O-N 3.29Å |
| 145 | L | 52.9 | Low | 55.6 | Low | 7 Ų | 7 | 115.5 Ų | 115.5 | 4% | 0.037 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 175.7 | -66.9 | 176.5 | 0 | 0 | 0 | 112.5 | Y141 E142 N147 K148 Y149 E269 A273 | Y141-L145 HydrophobicContact CD1-CD1 3.69Å; Y141-L145 HydrophobicContact CD1-CG 4.31Å; Y141-L145 HydrophobicContact CE1-CD1 3.5Å; Y141-L145 VanDerWaalsContact CE1-CD1 3.5Å; Y141-L145 HydrophobicContact CE1-CD2 4.45Å; Y141-L145 HydrophobicContact CE1-CG 4.16Å; Y141-L145 HydrophobicContact CG-CD1 4.49Å; Y141-L145 VanDerWaalsContact O-CG 3.31Å; Y141-L145 WeakPolarHBondContact O-CG 3.49Å; Y141-L145 PolarHBondContact O-N 3.39Å; E142-L145 PolarHBondContact O-N 2.98Å; L145-N147 PolarHBondContact O-N 3.26Å; L145-K148 WeakPolarHBondContact O-CB 3.36Å; L145-K148 PolarHBondContact O-N 3.17Å; L145-Y149 HydrophobicContact CD2-CE2 4.25Å; L145-Y149 VanDerWaalsContact O-CD2 3.29Å; L145-Y149 WeakPolarHBondContact O-CD2 3.48Å; L145-Y149 PolarHBondContact O-N 3.43Å; L145-E269 HydrophobicContact CD1-CG 4.15Å; L145-E269 HydrophobicContact CD2-CG 3.36Å; L145-E269 WeakPolarHBondContact CD2-OE1 3.36Å; L145-E269 HydrophobicContact CG-CG 4.4Å; L145-A273 HydrophobicContact CB-CB 3.68Å; L145-A273 HydrophobicContact CD1-CB 4.16Å; L145-A273 HydrophobicContact CG-CB 4.5Å |
| 146 | R | 54 | Low | 54.6 | Low | 115 Ų | 115 | 116 Ų | 116 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -55 | -35.3 | 174.6 | -74.3 | 175.3 | -153.7 | -150.1 | 6.6 | 112.6 | E142 K143 Q144 G150 H275 | E142-R146 VanDerWaalsContact O-CG 3.31Å; E142-R146 WeakPolarHBondContact O-CG 3.45Å; E142-R146 PolarHBondContact O-N 3.49Å; E142-R146 IonicContact OE2-NH2 2.7Å; E142-R146 PolarHBondContact OE2-NH2 2.91Å; K143-R146 PolarHBondContact O-N 2.93Å; Q144-R146 PolarHBondContact O-N 3.47Å; R146-G150 WeakPolarHBondContact O-CA 3.31Å; R146-G150 PolarHBondContact O-N 3.06Å; R146-H275 PolarHBondContact NE-CD2 3.12Å; R146-H275 PolarHBondContact NE-NE2 3.35Å; R146-H275 PolarHBondContact NH2-CE1 3.43Å; R146-H275 PolarHBondContact NH2-NE2 3.46Å |
| 147 | N | 60.9 | Low | 53.8 | Low | 141 Ų | 141 | 111.6 Ų | 111.6 | 75% | 0.754 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.6 | -38.1 | 177.3 | -69.1 | -19.9 | 0 | 0 | 0 | 111.8 | K143 Q144 L145 | K143-N147 PolarHBondContact O-N 2.93Å; Q144-N147 WeakPolarHBondContact O-CB 3.48Å; Q144-N147 PolarHBondContact O-N 3.22Å; Q144-N147 VanDerWaalsContact O-N 3.16Å; L145-N147 PolarHBondContact O-N 3.26Å |
| 148 | K | 62.2 | Low | 52.4 | Low | 127 Ų | 127 | 111.7 Ų | 111.7 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 176 | -171.3 | 179.8 | 172.1 | -169.6 | 0 | 111.7 | Q144 L145 E269 | Q144-K148 PolarHBondContact O-N 3.29Å; L145-K148 WeakPolarHBondContact O-CB 3.36Å; L145-K148 PolarHBondContact O-N 3.17Å; K148-E269 WeakPolarHBondContact CD-OE1 3.44Å; K148-E269 IonicContact NZ-OE1 2.78Å; K148-E269 PolarHBondContact NZ-OE1 2.98Å; K148-E269 IonicContact NZ-OE2 3.91Å; K148-E269 PolarHBondContact NZ-OE2 3.29Å |
| 149 | Y | 58.9 | Low | 51.5 | Low | 49 Ų | 49 | 108.9 Ų | 108.9 | 19% | 0.192 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 10.8 | -176.7 | -60.7 | -73.9 | 0 | 0 | 0 | 114.8 | L145 R151 L152 E269 F270 A273 | L145-Y149 HydrophobicContact CD2-CE2 4.25Å; L145-Y149 VanDerWaalsContact O-CD2 3.29Å; L145-Y149 WeakPolarHBondContact O-CD2 3.48Å; L145-Y149 PolarHBondContact O-N 3.43Å; Y149-R151 PolarHBondContact O-N 3Å; Y149-L152 HydrophobicContact CD1-CD1 4Å; Y149-L152 WeakPolarHBondContact O-CB 3.27Å; Y149-L152 PolarHBondContact O-N 3.48Å; Y149-E269 HydrophobicContact CE2-CG 4.16Å; Y149-E269 PolarHBondContact OH-OE1 3.06Å; Y149-F270 HydrophobicContact CD1-CD2 4.28Å; Y149-F270 HydrophobicContact CE1-CD2 4.44Å; Y149-A273 HydrophobicContact CD2-CB 3.85Å; Y149-A273 HydrophobicContact CE2-CB 4.27Å |
| 150 | G | 52.7 | Low | 50.3 | Low | 41 Ų | 41 | 107.5 Ų | 107.5 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -56.8 | -21.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R146 L152 | R146-G150 WeakPolarHBondContact O-CA 3.31Å; R146-G150 PolarHBondContact O-N 3.06Å; G150-L152 PolarHBondContact O-N 3.32Å |
| 151 | R | 46.6 | Very low | 48.7 | Very low | 226 Ų | 226 | 109 Ų | 109 | 85% | 0.853 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -66.7 | -19.3 | 174.5 | -68.9 | -175.6 | 176.8 | -175.7 | 0.8 | 113.6 | Y149 | Y149-R151 PolarHBondContact O-N 3Š|
| 152 | L | 48.7 | Very low | 47.7 | Very low | 65 Ų | 65 | 108 Ų | 108 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -88.8 | 2.5 | -175 | -69.5 | 161.3 | 0 | 0 | 0 | 114.4 | Y149 G150 R154 L155 F270 | Y149-L152 HydrophobicContact CD1-CD1 4Å; Y149-L152 WeakPolarHBondContact O-CB 3.27Å; Y149-L152 PolarHBondContact O-N 3.48Å; G150-L152 PolarHBondContact O-N 3.32Å; L152-R154 PolarHBondContact O-N 2.95Å; L152-L155 HydrophobicContact CB-CD1 4.41Å; L152-L155 HydrophobicContact CD2-CD1 3.82Å; L152-L155 HydrophobicContact CD2-CG 4.19Å; L152-L155 WeakPolarHBondContact O-CB 3.2Å; L152-L155 PolarHBondContact O-N 3.37Å; L152-F270 HydrophobicContact CD1-CD2 4.22Å; L152-F270 HydrophobicContact CD1-CE2 3.75Å |
| 153 | R | 42.6 | Very low | 46.6 | Very low | 212 Ų | 212 | 110.3 Ų | 110.3 | 80% | 0.8 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -53 | -21.4 | 161.8 | -79.7 | -166 | 178.7 | -161.6 | 1.6 | 112.5 | L155 Q156 | R153-L155 VanDerWaalsContact C-N 3.26Å; R153-L155 PolarHBondContact O-N 2.8Å; R153-Q156 WeakPolarHBondContact O-CB 3.41Å; R153-Q156 WeakPolarHBondContact O-CG 3.29Å; R153-Q156 PolarHBondContact O-N 2.93Å; R153-Q156 VanDerWaalsContact O-N 3.13Å |
| 154 | R | 40.3 | Very low | 45.3 | Very low | 229 Ų | 229 | 106.3 Ų | 106.3 | 86% | 0.864 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -72.2 | -7.1 | 174.3 | -61.7 | -171.2 | -161.7 | -172.4 | 5.1 | 115.2 | L152 Q156 | L152-R154 PolarHBondContact O-N 2.95Å; R154-Q156 PolarHBondContact O-N 2.91Å |
| 155 | L | 41.1 | Very low | 43.9 | Very low | 82 Ų | 82 | 103.8 Ų | 103.8 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -75.3 | -1.1 | 164.9 | -73.2 | 171.4 | 0 | 0 | 0 | 112.2 | L152 R153 E157 | L152-L155 HydrophobicContact CB-CD1 4.41Å; L152-L155 HydrophobicContact CD2-CD1 3.82Å; L152-L155 HydrophobicContact CD2-CG 4.19Å; L152-L155 WeakPolarHBondContact O-CB 3.2Å; L152-L155 PolarHBondContact O-N 3.37Å; R153-L155 VanDerWaalsContact C-N 3.26Å; R153-L155 PolarHBondContact O-N 2.8Å; L155-E157 PolarHBondContact O-N 2.87Å |
| 156 | Q | 40.9 | Very low | 42.9 | Very low | 152 Ų | 152 | 106.4 Ų | 106.4 | 71% | 0.71 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -55.3 | 108.8 | 157.3 | -81.8 | -175.8 | -16.2 | 0 | 0 | 108.2 | R153 R154 | R153-Q156 WeakPolarHBondContact O-CB 3.41Å; R153-Q156 WeakPolarHBondContact O-CG 3.29Å; R153-Q156 PolarHBondContact O-N 2.93Å; R153-Q156 VanDerWaalsContact O-N 3.13Å; R154-Q156 PolarHBondContact O-N 2.91Å |
| 157 | E | 46.5 | Very low | 41.7 | Very low | 37 Ų | 37 | 110.2 Ų | 110.2 | 17% | 0.173 | 56% | 0.558 | C | S | . | * | trans | -42.7 | 138.3 | 179.7 | -63.6 | 165.7 | 138.3 | 0 | 0 | 111.4 | L155 G159 R195 F279 | L155-E157 PolarHBondContact O-N 2.87Å; E157-G159 PolarHBondContact O-N 2.81Å; E157-R195 IonicContact OE2-CZ 3.93Å; E157-R195 IonicContact OE2-NH1 2.88Å; E157-R195 PolarHBondContact OE2-NH1 3.18Å; E157-R195 IonicContact OE2-NH2 3.23Å; E157-F279 VanDerWaalsContact OE1-CD1 3.23Å; E157-F279 WeakPolarHBondContact OE1-CD1 3.47Å; E157-F279 WeakPolarHBondContact OE1-CE1 3.23Å | ||
| 158 | P | 35.3 | Very low | 40.4 | Very low | 128 Ų | 128 | 106.8 Ų | 106.8 | 83% | 0.831 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 112.5 | 167.9 | 9.2 | -5.1 | 0 | 0 | 0 | 109 | ||
| 159 | G | 37.6 | Very low | 38.8 | Very low | 47 Ų | 47 | 107.7 Ų | 107.7 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 107.1 | -3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | E157 Q161 Y798 | E157-G159 PolarHBondContact O-N 2.81Å; G159-Q161 VanDerWaalsContact C-N 3.32Å; G159-Q161 PolarHBondContact O-N 3.14Å; G159-Y798 PolarHBondContact O-OH 2.88Å |
| 160 | F | 36.7 | Very low | 37.6 | Very low | 48 Ų | 48 | 108.6 Ų | 108.6 | 21% | 0.211 | 56% | 0.56 | C | S | . | * | trans | -80.6 | 76.8 | 177.4 | -149.8 | -91.1 | 0 | 0 | 0 | 112 | V162 Y798 K799 | F160-V162 HydrophobicContact CD1-CG2 4.27Å; F160-V162 HydrophobicContact CE1-CG2 4.26Å; F160-V162 PolarHBondContact O-N 2.92Å; F160-Y798 HydrophobicContact CD2-CE1 4.36Å; F160-K799 HydrophobicContact CD2-CG 4.21Å; F160-K799 HydrophobicContact CE2-CG 4Å | ||
| 161 | Q | 31 | Very low | 36.6 | Very low | 134 Ų | 134 | 113 Ų | 113 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | trans | -78.7 | 111.9 | 161.9 | -74.7 | -172.6 | -9.7 | 0 | 0 | 108.6 | G159 S163 A164 | G159-Q161 VanDerWaalsContact C-N 3.32Å; G159-Q161 PolarHBondContact O-N 3.14Å; Q161-S163 PolarHBondContact O-N 3.35Å; Q161-S163 VanDerWaalsContact O-N 3.08Å; Q161-A164 HydrophobicContact CB-CB 4.14Å; Q161-A164 PolarHBondContact O-N 3Å | ||
| 162 | V | 35.3 | Very low | 36.1 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 62% | 0.618 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -54.2 | -28.8 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | F160 A164 | F160-V162 HydrophobicContact CD1-CG2 4.27Å; F160-V162 HydrophobicContact CE1-CG2 4.26Å; F160-V162 PolarHBondContact O-N 2.92Å; V162-A164 PolarHBondContact O-N 3.28Å |
| 163 | S | 30.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 111.6 Ų | 111.6 | 75% | 0.748 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -70.7 | -10.2 | 176.9 | 52.1 | 0 | 0 | 0 | 0 | 115.1 | Q161 | Q161-S163 PolarHBondContact O-N 3.35Å; Q161-S163 VanDerWaalsContact O-N 3.08Å |
| 164 | A | 33.1 | Very low | 35.3 | Very low | 57 Ų | 57 | 106.2 Ų | 106.2 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -112.3 | 23.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q161 V162 P166 | Q161-A164 HydrophobicContact CB-CB 4.14Å; Q161-A164 PolarHBondContact O-N 3Å; V162-A164 PolarHBondContact O-N 3.28Å; A164-P166 WeakPolarHBondContact O-CD 3.41Å |
| 165 | L | 33.8 | Very low | 35.2 | Very low | 73 Ų | 73 | 103.1 Ų | 103.1 | 38% | 0.382 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -58.7 | 121.2 | 160.3 | -76.4 | 166.5 | 0 | 0 | 0 | 107 | K167 | L165-K167 PolarHBondContact O-N 2.96Š|
| 166 | P | 31.8 | Very low | 35.1 | Very low | 62 Ų | 62 | 106.9 Ų | 106.9 | 40% | 0.403 | 59% | 0.589 | S | S | . | * | trans | -57.7 | 122.4 | 174 | 20.4 | -27.5 | 0 | 0 | 0 | 107.3 | A164 V168 R199 | A164-P166 WeakPolarHBondContact O-CD 3.41Å; P166-V168 PolarHBondContact O-N 3.04Å; P166-R199 PolarHBondContact O-NH1 3.19Å | ||
| 167 | K | 30.4 | Very low | 35.3 | Very low | 196 Ų | 196 | 107.8 Ų | 107.8 | 85% | 0.852 | 59% | 0.586 | S | S | * | * | trans | -49.9 | 114.2 | 164.6 | -72.7 | -177.9 | 177.1 | -177.6 | 0 | 105.4 | L165 N169 | L165-K167 PolarHBondContact O-N 2.96Å; K167-N169 PolarHBondContact O-N 3.32Å | ||
| 168 | V | 32.9 | Very low | 35.4 | Very low | 68 Ų | 68 | 114.2 Ų | 114.2 | 41% | 0.412 | 62% | 0.616 | S | S | . | * | trans | -62.4 | 112.8 | 168 | -173.6 | 0 | 0 | 0 | 0 | 104.6 | P166 I170 | P166-V168 PolarHBondContact O-N 3.04Å; V168-I170 HydrophobicContact CG1-CD1 4.45Å; V168-I170 HydrophobicContact CG1-CG1 3.84Å; V168-I170 PolarHBondContact O-N 2.61Å | ||
| 169 | N | 27.8 | Very low | 36.2 | Very low | 146 Ų | 146 | 110.5 Ų | 110.5 | 78% | 0.781 | 59% | 0.592 | S | S | * | * | trans | -70.6 | 73.6 | 163.6 | -99.1 | -7.9 | 0 | 0 | 0 | 106.8 | K167 | K167-N169 PolarHBondContact O-N 3.32Š| ||
| 170 | I | 34 | Very low | 37.4 | Very low | 69 Ų | 69 | 111.9 Ų | 111.9 | 35% | 0.354 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -76.5 | 123.8 | 141.5 | -63 | 177.1 | 0 | 0 | 0 | 102.8 | V168 A172 P200 | V168-I170 HydrophobicContact CG1-CD1 4.45Å; V168-I170 HydrophobicContact CG1-CG1 3.84Å; V168-I170 PolarHBondContact O-N 2.61Å; I170-A172 PolarHBondContact O-N 2.9Å; I170-P200 HydrophobicContact CD1-CB 3.95Å; I170-P200 HydrophobicContact CD1-CG 3.39Å |
| 171 | D | 32.9 | Very low | 39 | Very low | 134 Ų | 134 | 111 Ų | 111 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | trans | -29.7 | 105.7 | 178.5 | -63.8 | -50.9 | 0 | 0 | 0 | 111.3 | E173 | D171-E173 PolarHBondContact O-N 3.28Š| ||
| 172 | A | 35.2 | Very low | 41.2 | Very low | 74 Ų | 74 | 107.4 Ų | 107.4 | 61% | 0.612 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 35.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I170 D174 | I170-A172 PolarHBondContact O-N 2.9Å; A172-D174 VanDerWaalsContact C-N 3.3Å |
| 173 | E | 35.7 | Very low | 43.1 | Very low | 187 Ų | 187 | 106.7 Ų | 106.7 | 87% | 0.874 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -11 | 168.7 | -71.7 | -159.7 | 157 | 0 | 0 | 112.6 | D171 | D171-E173 PolarHBondContact O-N 3.28Š|
| 174 | D | 38.2 | Very low | 45.4 | Very low | 98 Ų | 98 | 104.2 Ų | 104.2 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | trans | -134.1 | 99.9 | 167.7 | -97 | -40.9 | 0 | 0 | 0 | 110.8 | A172 K176 | A172-D174 VanDerWaalsContact C-N 3.3Å; D174-K176 HydrophobicContact CB-CB 4.25Å; D174-K176 PolarHBondContact O-N 2.79Å; D174-K176 IonicContact OD1-NZ 3.4Å | ||
| 175 | N | 38.8 | Very low | 47.7 | Very low | 165 Ų | 165 | 104.2 Ų | 104.2 | 88% | 0.882 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 30.6 | 162.6 | -87.5 | -29.5 | 0 | 0 | 0 | 113 | ||
| 176 | K | 38.8 | Very low | 49.9 | Very low | 160 Ų | 160 | 102.9 Ų | 102.9 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -3.7 | -172.7 | -81.8 | -178 | 179.4 | 162.6 | 0 | 115.7 | D174 Q178 | D174-K176 HydrophobicContact CB-CB 4.25Å; D174-K176 PolarHBondContact O-N 2.79Å; D174-K176 IonicContact OD1-NZ 3.4Å; K176-Q178 PolarHBondContact O-N 2.79Å |
| 177 | W | 45.4 | Very low | 52.3 | Low | 172 Ų | 172 | 106.4 Ų | 106.4 | 65% | 0.652 | 57% | 0.565 | S | S | * | * | trans | -90.6 | 89.6 | 179.3 | -70.3 | 98.6 | 0 | 0 | 0 | 111.8 | V211 | W177-V211 HydrophobicContact CH2-CB 4.49Å; W177-V211 HydrophobicContact CH2-CG2 3.93Å; W177-V211 HydrophobicContact CZ2-CG2 4.25Å; W177-V211 HydrophobicContact CZ3-CG2 4.49Å | ||
| 178 | Q | 47.7 | Very low | 55 | Low | 172 Ų | 172 | 98 Ų | 98 | 80% | 0.804 | 53% | 0.528 | S | S | * | . | trans | -83.8 | 149.9 | 163.3 | -67.2 | 180 | -3.7 | 0 | 0 | 109.5 | K176 | K176-Q178 PolarHBondContact O-N 2.79Š| ||
| 179 | C | 53.2 | Low | 57.4 | Low | 50 Ų | 50 | 95 Ų | 95 | 34% | 0.338 | 51% | 0.511 | S | S | . | . | trans | -47.8 | 130 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | M181 H215 | C179-M181 PolarHBondContact O-N 3.26Å; C179-M181 VanDerWaalsContact SG-CE 3.52Å; C179-H215 PolarHBondContact SG-NE2 2.99Å | ||
| 180 | P | 62.6 | Low | 60 | Low | 76 Ų | 76 | 92.8 Ų | 92.8 | 49% | 0.494 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -76.8 | 50.1 | -178.9 | 33.6 | -36.4 | 0 | 0 | 0 | 110.9 | C213 | P180-C213 HydrophobicContact CG-CB 4.35Š|
| 181 | M | 70.3 | Confident | 62.3 | Low | 30 Ų | 30 | 91 Ų | 91 | 15% | 0.148 | 49% | 0.49 | C | S | . | . | trans | -107.4 | 132.2 | 168.4 | -75 | -168.1 | -58.7 | 0 | 0 | 108.5 | C179 E185 L196 M554 | C179-M181 PolarHBondContact O-N 3.26Å; C179-M181 VanDerWaalsContact SG-CE 3.52Å; M181-E185 HydrophobicContact CB-CB 4.06Å; M181-E185 HydrophobicContact CG-CB 4.23Å; M181-E185 HydrophobicContact SD-CB 4.47Å; M181-L196 HydrophobicContact CE-CD2 3.35Å; M181-M554 HydrophobicContact SD-CE 4.46Å | ||
| 182 | S | 76.2 | Confident | 64.7 | Low | 58 Ų | 58 | 85.3 Ų | 85.3 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | trans | -58.1 | 160.7 | 162 | 64.7 | 0 | 0 | 0 | 0 | 110.7 | S184 E185 S186 | S182-S184 PolarHBondContact O-N 3.22Å; S182-E185 WeakPolarHBondContact CB-OE2 3.25Å; S182-E185 PolarHBondContact N-OE2 3.42Å; S182-E185 PolarHBondContact O-N 3.17Å; S182-E185 WeakPolarHBondContact OG-CB 3.49Å; S182-E185 VanDerWaalsContact OG-CG 3.22Å; S182-E185 WeakPolarHBondContact OG-CG 3.36Å; S182-E185 PolarHBondContact OG-N 2.74Å; S182-E185 PolarHBondContact OG-OE2 2.93Å; S182-S186 PolarHBondContact O-N 2.82Å | ||
| 183 | A | 75.4 | Confident | 67 | Low | 86 Ų | 86 | 82.4 Ų | 82.4 | 71% | 0.711 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.2 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S186 E187 | A183-S186 PolarHBondContact O-N 3.46Å; A183-E187 PolarHBondContact O-N 3.37Å |
| 184 | S | 79.8 | Confident | 69.2 | Low | 56 Ų | 56 | 74.2 Ų | 74.2 | 39% | 0.392 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 176.5 | 166.9 | 0 | 0 | 0 | 0 | 112 | S182 S186 E187 H188 | S182-S184 PolarHBondContact O-N 3.22Å; S184-S186 VanDerWaalsContact C-N 3.27Å; S184-S186 PolarHBondContact O-N 3.12Å; S184-E187 WeakPolarHBondContact O-CB 3.48Å; S184-E187 PolarHBondContact O-N 2.97Å; S184-E187 VanDerWaalsContact O-N 3.14Å; S184-H188 PolarHBondContact O-N 3.1Å |
| 185 | E | 80.5 | Confident | 70.9 | Confident | 57 Ų | 57 | 72 Ų | 72 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 175.8 | -74 | 168.6 | 120.3 | 0 | 0 | 112.1 | M181 S182 H188 S189 M554 | M181-E185 HydrophobicContact CB-CB 4.06Å; M181-E185 HydrophobicContact CG-CB 4.23Å; M181-E185 HydrophobicContact SD-CB 4.47Å; S182-E185 WeakPolarHBondContact CB-OE2 3.25Å; S182-E185 PolarHBondContact N-OE2 3.42Å; S182-E185 PolarHBondContact O-N 3.17Å; S182-E185 WeakPolarHBondContact OG-CB 3.49Å; S182-E185 VanDerWaalsContact OG-CG 3.22Å; S182-E185 WeakPolarHBondContact OG-CG 3.36Å; S182-E185 PolarHBondContact OG-N 2.74Å; S182-E185 PolarHBondContact OG-OE2 2.93Å; E185-H188 PolarHBondContact O-N 3.18Å; E185-S189 WeakPolarHBondContact O-CB 3.23Å; E185-S189 PolarHBondContact O-N 3.08Å; E185-M554 HydrophobicContact CB-CE 4.27Å |
| 186 | S | 80.3 | Confident | 73 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 32% | 0.315 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.1 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | S182 A183 S184 S189 N190 | S182-S186 PolarHBondContact O-N 2.82Å; A183-S186 PolarHBondContact O-N 3.46Å; S184-S186 VanDerWaalsContact C-N 3.27Å; S184-S186 PolarHBondContact O-N 3.12Å; S186-S189 PolarHBondContact O-N 2.97Å; S186-N190 WeakPolarHBondContact O-CB 3.1Å; S186-N190 PolarHBondContact O-N 2.75Å; S186-N190 PolarHBondContact O-ND2 3.21Å |
| 187 | E | 82.4 | Confident | 75.1 | Confident | 136 Ų | 136 | 59.9 Ų | 59.9 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.5 | -48.3 | 175.1 | -174.5 | 170.9 | -168.1 | 0 | 0 | 111.7 | A183 S184 S189 N190 L191 | A183-E187 PolarHBondContact O-N 3.37Å; S184-E187 WeakPolarHBondContact O-CB 3.48Å; S184-E187 PolarHBondContact O-N 2.97Å; S184-E187 VanDerWaalsContact O-N 3.14Å; E187-S189 VanDerWaalsContact C-N 3.35Å; E187-S189 PolarHBondContact O-N 3.38Å; E187-N190 PolarHBondContact O-N 3.34Å; E187-L191 PolarHBondContact O-N 2.93Å |
| 188 | H | 86.5 | Confident | 76.9 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.9 | -67.6 | 179.2 | 0 | 0 | 0 | 111.9 | S184 E185 N190 L191 L192 W553 M554 E638 | S184-H188 PolarHBondContact O-N 3.1Å; E185-H188 PolarHBondContact O-N 3.18Å; H188-N190 VanDerWaalsContact C-N 3.32Å; H188-N190 PolarHBondContact O-N 3.19Å; H188-L191 WeakPolarHBondContact O-CB 3.46Å; H188-L191 PolarHBondContact O-N 3.47Å; H188-L191 VanDerWaalsContact O-N 3.13Å; H188-L192 PolarHBondContact O-N 3.41Å; H188-W553 HydrophobicContact CB-CE3 4.04Å; H188-W553 AromaticContact CD2-CE3 3.74Å; H188-W553 AromaticContact CD2-CZ3 3.85Å; H188-W553 AromaticContact CG-CE3 3.72Å; H188-W553 PolarHBondContact ND1-O 3.36Å; H188-W553 VanDerWaalsContact ND1-O 3.08Å; H188-M554 HydrophobicContact CB-SD 3.58Å; H188-M554 VanDerWaalsContact CB-SD 3.58Å; H188-E638 IonicContact CE1-OE1 2.91Å; H188-E638 PolarHBondContact CE1-OE1 3.25Å; H188-E638 IonicContact NE2-OE1 3.59Å; H188-E638 PolarHBondContact NE2-OE1 2.93Å |
| 189 | S | 84.3 | Confident | 78.8 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | E185 S186 E187 L191 L192 F193 | E185-S189 WeakPolarHBondContact O-CB 3.23Å; E185-S189 PolarHBondContact O-N 3.08Å; S186-S189 PolarHBondContact O-N 2.97Å; E187-S189 VanDerWaalsContact C-N 3.35Å; E187-S189 PolarHBondContact O-N 3.38Å; S189-L191 VanDerWaalsContact C-N 3.27Å; S189-L191 PolarHBondContact O-N 3.03Å; S189-L192 PolarHBondContact O-N 2.77Å; S189-F193 WeakPolarHBondContact O-CA 3.43Å; S189-F193 WeakPolarHBondContact O-CB 3.48Å; S189-F193 PolarHBondContact O-N 2.95Å |
| 190 | N | 81.5 | Confident | 80.5 | Confident | 99 Ų | 99 | 45.6 Ų | 45.6 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.1 | -24.9 | 177.9 | -73.6 | -35.3 | 0 | 0 | 0 | 112.5 | S186 E187 H188 K220 | S186-N190 WeakPolarHBondContact O-CB 3.1Å; S186-N190 PolarHBondContact O-N 2.75Å; S186-N190 PolarHBondContact O-ND2 3.21Å; E187-N190 PolarHBondContact O-N 3.34Å; H188-N190 VanDerWaalsContact C-N 3.32Å; H188-N190 PolarHBondContact O-N 3.19Å; N190-K220 WeakPolarHBondContact O-CE 3.45Å; N190-K220 PolarHBondContact O-NZ 3.48Å |
| 191 | L | 82.2 | Confident | 81.7 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.9 | -45.8 | 173.8 | -173.6 | 64.4 | 0 | 0 | 0 | 111.3 | E187 H188 S189 K220 W553 M611 K616 C618 | E187-L191 PolarHBondContact O-N 2.93Å; H188-L191 WeakPolarHBondContact O-CB 3.46Å; H188-L191 PolarHBondContact O-N 3.47Å; H188-L191 VanDerWaalsContact O-N 3.13Å; S189-L191 VanDerWaalsContact C-N 3.27Å; S189-L191 PolarHBondContact O-N 3.03Å; L191-K220 VanDerWaalsContact O-CD 3.29Å; L191-K220 WeakPolarHBondContact O-CD 3.42Å; L191-K220 VanDerWaalsContact O-CE 3.3Å; L191-K220 WeakPolarHBondContact O-CE 3.31Å; L191-K220 PolarHBondContact O-NZ 3.32Å; L191-W553 HydrophobicContact CD2-CE3 4.09Å; L191-W553 HydrophobicContact CD2-CH2 3.41Å; L191-W553 VanDerWaalsContact CD2-CH2 3.41Å; L191-W553 HydrophobicContact CD2-CZ2 4.23Å; L191-W553 HydrophobicContact CD2-CZ3 3.33Å; L191-M611 HydrophobicContact CD2-CE 4.25Å; L191-K616 WeakPolarHBondContact CD1-O 2.89Å; L191-C618 HydrophobicContact CD1-CB 4.45Å; L191-C618 HydrophobicContact CD2-CB 3.6Å; L191-C618 HydrophobicContact CG-CB 3.77Å |
| 192 | L | 83.7 | Confident | 82.6 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -86.5 | -35.8 | -174.7 | -68.8 | -173.9 | 0 | 0 | 0 | 114.7 | H188 S189 K220 L549 W553 M554 C618 | H188-L192 PolarHBondContact O-N 3.41Å; S189-L192 PolarHBondContact O-N 2.77Å; L192-K220 WeakPolarHBondContact O-CB 3.14Å; L192-K220 WeakPolarHBondContact O-CG 3.43Å; L192-K220 PolarHBondContact O-N 3.49Å; L192-L549 HydrophobicContact CD1-CB 4.35Å; L192-L549 HydrophobicContact CD2-CB 4.09Å; L192-L549 HydrophobicContact CD2-CD1 4.23Å; L192-W553 HydrophobicContact CD1-CB 3.44Å; L192-W553 VanDerWaalsContact CD1-CB 3.44Å; L192-W553 HydrophobicContact CD1-CD2 4.37Å; L192-W553 HydrophobicContact CD1-CG 3.7Å; L192-W553 HydrophobicContact CD2-CD2 4.47Å; L192-W553 HydrophobicContact CD2-CG 4.39Å; L192-W553 HydrophobicContact CG-CB 4.38Å; L192-W553 HydrophobicContact CG-CD2 4.48Å; L192-W553 HydrophobicContact CG-CG 4.28Å; L192-M554 HydrophobicContact CD1-CG 4.21Å; L192-C618 HydrophobicContact CD2-CB 3.92Å; L192-C618 WeakPolarHBondContact CD2-SG 3.45Å |
| 193 | F | 84.6 | Confident | 83.3 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 6% | 0.057 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 161.8 | -169.6 | -47 | -72.2 | 0 | 0 | 0 | 112 | S189 A217 E218 P219 V299 N550 M554 | S189-F193 WeakPolarHBondContact O-CA 3.43Å; S189-F193 WeakPolarHBondContact O-CB 3.48Å; S189-F193 PolarHBondContact O-N 2.95Å; F193-A217 HydrophobicContact CB-CB 3.61Å; F193-A217 HydrophobicContact CG-CB 4.1Å; F193-E218 CarbonylContact C-O 3.52Å; F193-E218 WeakPolarHBondContact CA-O 3.34Å; F193-P219 HydrophobicContact CD1-CB 4.2Å; F193-P219 HydrophobicContact CD1-CG 4.09Å; F193-P219 HydrophobicContact CE1-CB 4.35Å; F193-P219 HydrophobicContact CE1-CG 4.14Å; F193-V299 HydrophobicContact CD1-CB 4.47Å; F193-V299 HydrophobicContact CD1-CG1 3.57Å; F193-V299 HydrophobicContact CD2-CG1 4.47Å; F193-V299 HydrophobicContact CE1-CB 4.08Å; F193-V299 HydrophobicContact CE1-CG1 3.58Å; F193-V299 HydrophobicContact CE2-CG1 4.45Å; F193-V299 HydrophobicContact CG-CG1 4.08Å; F193-V299 HydrophobicContact CZ-CG1 4.04Å; F193-N550 HydrophobicContact CZ-CB 4.03Å; F193-N550 WeakPolarHBondContact CZ-OD1 3.33Å; F193-M554 HydrophobicContact CE2-CG 3.93Å |
| 194 | A | 80.1 | Confident | 84 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 12% | 0.124 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 158.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L196 E218 Y277 | A194-L196 PolarHBondContact O-N 3.22Å; A194-E218 PolarHBondContact N-O 2.92Å; A194-E218 PolarHBondContact O-N 3.47Å; A194-Y277 HydrophobicContact CB-CD1 3.9Å; A194-Y277 HydrophobicContact CB-CE1 4.34Å |
| 195 | R | 75.6 | Confident | 84.5 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.8 | 52.1 | 171.2 | -61.9 | -179.1 | 169.8 | -168.2 | -8.3 | 113.7 | E157 I197 E218 Y277 | E157-R195 IonicContact OE2-CZ 3.93Å; E157-R195 IonicContact OE2-NH1 2.88Å; E157-R195 PolarHBondContact OE2-NH1 3.18Å; E157-R195 IonicContact OE2-NH2 3.23Å; R195-I197 PolarHBondContact O-N 3.1Å; R195-E218 WeakPolarHBondContact CD-OE1 3.1Å; R195-E218 WeakPolarHBondContact CD-OE2 3.36Å; R195-Y277 HydrophobicContact CG-CD1 3.66Å; R195-Y277 HydrophobicContact CG-CE1 3.74Å; R195-Y277 HydrophobicContact CG-CG 4.25Å; R195-Y277 VanDerWaalsContact CZ-CD2 3.49Å |
| 196 | L | 81.4 | Confident | 84.7 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 34% | 0.335 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 124.8 | 172.8 | -178.8 | 67.4 | 0 | 0 | 0 | 110.5 | M181 A194 H215 M216 A217 | M181-L196 HydrophobicContact CE-CD2 3.35Å; A194-L196 PolarHBondContact O-N 3.22Å; L196-H215 HydrophobicContact CD1-CB 3.97Å; L196-M216 CarbonylContact C-O 3.55Å; L196-M216 WeakPolarHBondContact CA-O 3.45Å; L196-A217 HydrophobicContact CB-CB 4.46Å; L196-A217 HydrophobicContact CD1-CB 4.01Å |
| 197 | I | 83.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.1 | 171.7 | -62.4 | 165 | 0 | 0 | 0 | 106.9 | R195 H215 M216 T792 E795 | R195-I197 PolarHBondContact O-N 3.1Å; I197-H215 CarbonylContact O-C 3.58Å; I197-H215 VanDerWaalsContact O-CA 3.25Å; I197-H215 WeakPolarHBondContact O-CA 3.33Å; I197-M216 HydrophobicContact CD1-CE 3.82Å; I197-M216 PolarHBondContact N-O 3.29Å; I197-M216 PolarHBondContact O-N 3.34Å; I197-T792 HydrophobicContact CG2-CG2 4.16Å; I197-E795 HydrophobicContact CD1-CB 3.87Å; I197-E795 HydrophobicContact CD1-CG 4.26Å; I197-E795 HydrophobicContact CG2-CG 4.24Å |
| 198 | C | 84.4 | Confident | 84.6 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 30% | 0.297 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | E214 | C198-E214 CarbonylContact C-O 3.56Å; C198-E214 VanDerWaalsContact CA-O 3.3Å; C198-E214 WeakPolarHBondContact CA-O 3.27Å |
| 199 | R | 87.8 | Confident | 84.5 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 110.2 | 175.6 | -66.6 | -65.1 | -171.8 | -158.8 | 0.4 | 109.7 | P166 F201 E214 E790 T792 E795 | P166-R199 PolarHBondContact O-NH1 3.19Å; R199-F201 HydrophobicContact CB-CE2 3.59Å; R199-F201 HydrophobicContact CB-CZ 3.92Å; R199-F201 WeakPolarHBondContact O-CD2 3.35Å; R199-F201 WeakPolarHBondContact O-CE2 3.1Å; R199-E214 HydrophobicContact CB-CB 4.48Å; R199-E214 PolarHBondContact N-O 2.96Å; R199-E214 PolarHBondContact O-N 3.34Å; R199-E790 VanDerWaalsContact CD-O 3.3Å; R199-E790 WeakPolarHBondContact CD-O 3.35Å; R199-E790 WeakPolarHBondContact CG-O 3.29Å; R199-E790 PolarHBondContact NE-O 2.96Å; R199-T792 HydrophobicContact CB-CG2 4.12Å; R199-T792 HydrophobicContact CG-CG2 3.84Å; R199-E795 IonicContact CZ-OE1 2.9Å; R199-E795 IonicContact NH2-OE1 3.84Å; R199-E795 PolarHBondContact NH2-OE1 2.84Å |
| 200 | P | 87.5 | Confident | 84.6 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 143.3 | 174.3 | 30.5 | -33.5 | 0 | 0 | 0 | 112.5 | I170 V211 L212 | I170-P200 HydrophobicContact CD1-CB 3.95Å; I170-P200 HydrophobicContact CD1-CG 3.39Å; P200-V211 HydrophobicContact CB-CG1 4.36Å; P200-L212 CarbonylContact C-O 3.46Å; P200-L212 WeakPolarHBondContact CA-O 3.41Å |
| 201 | F | 89.1 | Confident | 84.8 | Confident | 19 Ų | 19 | 48 Ų | 48 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.5 | 178.2 | -60.2 | -86.8 | 0 | 0 | 0 | 110.4 | R199 V211 L212 E214 D786 L787 E790 | R199-F201 HydrophobicContact CB-CE2 3.59Å; R199-F201 HydrophobicContact CB-CZ 3.92Å; R199-F201 WeakPolarHBondContact O-CD2 3.35Å; R199-F201 WeakPolarHBondContact O-CE2 3.1Å; F201-V211 WeakPolarHBondContact O-CA 3.44Å; F201-L212 HydrophobicContact CB-CB 4.26Å; F201-L212 PolarHBondContact N-O 2.92Å; F201-L212 PolarHBondContact O-N 3.11Å; F201-E214 HydrophobicContact CE2-CB 4.15Å; F201-D786 HydrophobicContact CD1-CB 3.91Å; F201-D786 HydrophobicContact CE1-CB 4.09Å; F201-D786 WeakPolarHBondContact CE1-O 3.22Å; F201-L787 HydrophobicContact CD2-CD2 3.89Å; F201-L787 HydrophobicContact CE2-CD2 3.79Å; F201-L787 HydrophobicContact CG-CD2 4.42Å; F201-L787 HydrophobicContact CZ-CD2 4.22Å; F201-E790 HydrophobicContact CE1-CB 4Å; F201-E790 HydrophobicContact CZ-CB 4.35Å |
| 202 | K | 89.2 | Confident | 85.1 | Confident | 138 Ų | 138 | 46.4 Ų | 46.4 | 60% | 0.6 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 130.9 | 167.6 | -68.5 | 179.4 | -178.5 | 173 | 0 | 108.3 | P204 T209 | K202-P204 WeakPolarHBondContact O-CD 3.45Å; K202-T209 HydrophobicContact CG-CG2 4.36Å |
| 203 | V | 89.5 | Confident | 85.3 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 121.5 | 173 | -177 | 0 | 0 | 0 | 0 | 108.4 | T206 V210 L212 V769 Y773 L775 | V203-T206 HydrophobicContact CB-CG2 4Å; V203-T206 HydrophobicContact CG1-CG2 3.6Å; V203-T206 PolarHBondContact O-OG1 2.93Å; V203-V210 HydrophobicContact CB-CB 4.03Å; V203-V210 HydrophobicContact CB-CG1 4.2Å; V203-V210 HydrophobicContact CG2-CB 4.05Å; V203-V210 HydrophobicContact CG2-CG1 3.67Å; V203-V210 PolarHBondContact N-O 3.4Å; V203-L212 HydrophobicContact CG2-CB 3.83Å; V203-V769 HydrophobicContact CG1-CG1 3.57Å; V203-V769 HydrophobicContact CG2-CG1 4.12Å; V203-Y773 HydrophobicContact CG1-CD2 3.93Å; V203-Y773 HydrophobicContact CG1-CE2 4.42Å; V203-Y773 HydrophobicContact CG1-CG 4.45Å; V203-Y773 HydrophobicContact CG2-CE2 4.49Å; V203-L775 HydrophobicContact CG1-CD1 4.02Å; V203-L775 HydrophobicContact CG1-CD2 4.05Å |
| 204 | P | 90.7 | Very high | 85.5 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 155.5 | 178.3 | -25.9 | 37.3 | 0 | 0 | 0 | 112.1 | K202 T206 L775 G779 I782 L783 | K202-P204 WeakPolarHBondContact O-CD 3.45Å; P204-T206 PolarHBondContact O-N 3Å; P204-L775 WeakPolarHBondContact O-CD2 3.32Å; P204-G779 WeakPolarHBondContact CG-O 3.1Å; P204-I782 HydrophobicContact CG-CB 4.38Å; P204-I782 HydrophobicContact CG-CG2 4.13Å; P204-L783 HydrophobicContact CG-CB 4.18Å |
| 205 | E | 90.8 | Very high | 85.9 | Confident | 114 Ų | 114 | 45.2 Ų | 45.2 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 15.4 | 168.7 | -54.8 | 171.4 | 178.7 | 0 | 0 | 116.1 | L775 S776 G779 | E205-L775 HydrophobicContact CB-CD2 4.27Å; E205-S776 VanDerWaalsContact CD-OG 3.26Å; E205-S776 WeakPolarHBondContact OE1-CB 3.49Å; E205-S776 PolarHBondContact OE1-OG 3.27Å; E205-S776 WeakPolarHBondContact OE2-CB 3.46Å; E205-S776 PolarHBondContact OE2-N 2.97Å; E205-S776 PolarHBondContact OE2-OG 3.08Å; E205-G779 WeakPolarHBondContact OE1-CA 3.37Å; E205-G779 PolarHBondContact OE1-N 3.32Å |
| 206 | T | 84.7 | Confident | 86.5 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | trans | -97.8 | 136.8 | 177.2 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | V203 P204 P208 V210 Y773 L775 | V203-T206 HydrophobicContact CB-CG2 4Å; V203-T206 HydrophobicContact CG1-CG2 3.6Å; V203-T206 PolarHBondContact O-OG1 2.93Å; P204-T206 PolarHBondContact O-N 3Å; T206-P208 CarbonylContact C-O 3.57Å; T206-V210 HydrophobicContact CG2-CB 4.1Å; T206-V210 HydrophobicContact CG2-CG2 4.01Å; T206-V210 PolarHBondContact OG1-N 3.33Å; T206-Y773 HydrophobicContact CG2-CD1 4.02Å; T206-Y773 HydrophobicContact CG2-CD2 4.49Å; T206-Y773 HydrophobicContact CG2-CG 3.87Å; T206-L775 HydrophobicContact CG2-CD2 4.37Å | ||
| 207 | N | 80.6 | Confident | 86.7 | Confident | 163 Ų | 163 | 39.8 Ų | 39.8 | 87% | 0.872 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -137.3 | 114.6 | 171 | -171.9 | 5.8 | 0 | 0 | 0 | 109.9 | ||
| 208 | P | 80.7 | Confident | 86.6 | Confident | 105 Ų | 105 | 39.5 Ų | 39.5 | 68% | 0.682 | 22% | 0.217 | S | C | * | . | S | Bend | cis | -65 | 160.1 | 0.2 | 29.8 | -35.8 | 0 | 0 | 0 | 112.5 | T206 V210 | T206-P208 CarbonylContact C-O 3.57Å; P208-V210 PolarHBondContact O-N 3.45Å; P208-V210 VanDerWaalsContact O-N 3.1Å |
| 209 | T | 83.6 | Confident | 86.3 | Confident | 94 Ų | 94 | 37.6 Ų | 37.6 | 58% | 0.577 | 20% | 0.204 | S | C | * | . | trans | -57.4 | 115.3 | 179.3 | -51.5 | 0 | 0 | 0 | 0 | 110.5 | K202 | K202-T209 HydrophobicContact CG-CG2 4.36Š| ||
| 210 | V | 85.4 | Confident | 85.6 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 9% | 0.085 | 22% | 0.22 | C | C | . | . | trans | -86.2 | 140.1 | 173.6 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | V203 T206 P208 C304 Y773 | V203-V210 HydrophobicContact CB-CB 4.03Å; V203-V210 HydrophobicContact CB-CG1 4.2Å; V203-V210 HydrophobicContact CG2-CB 4.05Å; V203-V210 HydrophobicContact CG2-CG1 3.67Å; V203-V210 PolarHBondContact N-O 3.4Å; T206-V210 HydrophobicContact CG2-CB 4.1Å; T206-V210 HydrophobicContact CG2-CG2 4.01Å; T206-V210 PolarHBondContact OG1-N 3.33Å; P208-V210 PolarHBondContact O-N 3.45Å; P208-V210 VanDerWaalsContact O-N 3.1Å; V210-C304 HydrophobicContact CG1-CB 4.46Å; V210-Y773 HydrophobicContact CB-CE1 4.37Å; V210-Y773 HydrophobicContact CG1-CE1 4.05Å; V210-Y773 HydrophobicContact CG1-CE2 3.95Å; V210-Y773 VanDerWaalsContact CG1-OH 3.23Å; V210-Y773 WeakPolarHBondContact CG1-OH 3.29Å; V210-Y773 HydrophobicContact CG2-CD1 4.26Å; V210-Y773 HydrophobicContact CG2-CE1 3.72Å | ||
| 211 | V | 86 | Confident | 84.5 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 13% | 0.127 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.3 | 173 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | W177 P200 F201 S305 | W177-V211 HydrophobicContact CH2-CB 4.49Å; W177-V211 HydrophobicContact CH2-CG2 3.93Å; W177-V211 HydrophobicContact CZ2-CG2 4.25Å; W177-V211 HydrophobicContact CZ3-CG2 4.49Å; P200-V211 HydrophobicContact CB-CG1 4.36Å; F201-V211 WeakPolarHBondContact O-CA 3.44Å; V211-S305 PolarHBondContact N-OG 3.33Å; V211-S305 PolarHBondContact O-N 3.42Å |
| 212 | L | 88.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.8 | 174.4 | -170.4 | 76.6 | 0 | 0 | 0 | 109.4 | P200 F201 V203 V302 R303 C304 V769 L783 L787 | P200-L212 CarbonylContact C-O 3.46Å; P200-L212 WeakPolarHBondContact CA-O 3.41Å; F201-L212 HydrophobicContact CB-CB 4.26Å; F201-L212 PolarHBondContact N-O 2.92Å; F201-L212 PolarHBondContact O-N 3.11Å; V203-L212 HydrophobicContact CG2-CB 3.83Å; L212-V302 HydrophobicContact CD1-CG1 3.16Å; L212-V302 HydrophobicContact CD2-CG1 4.14Å; L212-V302 HydrophobicContact CG-CG1 3.7Å; L212-R303 CarbonylContact C-O 3.6Å; L212-C304 VanDerWaalsContact CD1-SG 3.54Å; L212-V769 HydrophobicContact CD1-CG2 3.59Å; L212-V769 HydrophobicContact CD2-CG2 4.08Å; L212-V769 HydrophobicContact CG-CG2 4.49Å; L212-L783 HydrophobicContact CD2-CD1 4Å; L212-L787 HydrophobicContact CD2-CD2 4.13Å |
| 213 | C | 88 | Confident | 81.7 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 110 | 175.7 | -68.9 | 0 | 0 | 0 | 0 | 110.2 | P180 H215 V302 R303 | P180-C213 HydrophobicContact CG-CB 4.35Å; C213-H215 PolarHBondContact O-ND1 2.68Å; C213-V302 WeakPolarHBondContact O-CA 3.22Å; C213-R303 PolarHBondContact N-O 3.01Å; C213-R303 PolarHBondContact O-N 3.43Å |
| 214 | E | 88.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.1 | 171.2 | -167.5 | -164.7 | 174.3 | 0 | 0 | 109.5 | C198 R199 F201 S301 V302 G791 T792 | C198-E214 CarbonylContact C-O 3.56Å; C198-E214 VanDerWaalsContact CA-O 3.3Å; C198-E214 WeakPolarHBondContact CA-O 3.27Å; R199-E214 HydrophobicContact CB-CB 4.48Å; R199-E214 PolarHBondContact N-O 2.96Å; R199-E214 PolarHBondContact O-N 3.34Å; F201-E214 HydrophobicContact CE2-CB 4.15Å; E214-S301 CarbonylContact C-O 3.55Å; E214-V302 HydrophobicContact CG-CG2 4.23Å; E214-G791 WeakPolarHBondContact OE2-CA 3.22Å; E214-T792 HydrophobicContact CB-CG2 4.05Å; E214-T792 HydrophobicContact CG-CG2 3.7Å; E214-T792 WeakPolarHBondContact O-CG2 3.26Å; E214-T792 WeakPolarHBondContact OE1-CB 3.22Å; E214-T792 PolarHBondContact OE1-N 2.92Å; E214-T792 PolarHBondContact OE1-OG1 2.79Å; E214-T792 PolarHBondContact OE2-N 2.92Å |
| 215 | H | 88.3 | Confident | 78.4 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.1 | 175.5 | -56.7 | 80.9 | 0 | 0 | 0 | 109.6 | C179 L196 I197 C213 Q300 S301 | C179-H215 PolarHBondContact SG-NE2 2.99Å; L196-H215 HydrophobicContact CD1-CB 3.97Å; I197-H215 CarbonylContact O-C 3.58Å; I197-H215 VanDerWaalsContact O-CA 3.25Å; I197-H215 WeakPolarHBondContact O-CA 3.33Å; C213-H215 PolarHBondContact O-ND1 2.68Å; H215-Q300 CarbonylContact O-C 3.59Å; H215-Q300 VanDerWaalsContact O-CA 3.24Å; H215-Q300 WeakPolarHBondContact O-CA 3.29Å; H215-S301 PolarHBondContact N-O 2.91Å; H215-S301 PolarHBondContact ND1-O 3.37Å; H215-S301 PolarHBondContact O-N 2.92Å |
| 216 | M | 88.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 131.2 | 168.5 | 178.5 | 175 | 73.4 | 0 | 0 | 110 | L196 I197 H298 V299 Q300 T792 E795 N796 | L196-M216 CarbonylContact C-O 3.55Å; L196-M216 WeakPolarHBondContact CA-O 3.45Å; I197-M216 HydrophobicContact CD1-CE 3.82Å; I197-M216 PolarHBondContact N-O 3.29Å; I197-M216 PolarHBondContact O-N 3.34Å; M216-H298 HydrophobicContact CG-CB 4.2Å; M216-H298 HydrophobicContact SD-CB 4.5Å; M216-V299 VanDerWaalsContact CA-O 3.29Å; M216-V299 WeakPolarHBondContact CA-O 3.39Å; M216-Q300 HydrophobicContact CB-CG 4.33Å; M216-Q300 HydrophobicContact CG-CG 4.23Å; M216-Q300 VanDerWaalsContact CG-NE2 3.32Å; M216-Q300 PolarHBondContact SD-NE2 2.88Å; M216-T792 HydrophobicContact CB-CG2 4.08Å; M216-T792 WeakPolarHBondContact CB-OG1 3.18Å; M216-T792 VanDerWaalsContact CE-O 3.23Å; M216-T792 WeakPolarHBondContact CE-O 3.5Å; M216-E795 HydrophobicContact CE-CB 4.22Å; M216-N796 HydrophobicContact CE-CB 4.16Å; M216-N796 HydrophobicContact SD-CB 4.16Å |
| 217 | A | 85.1 | Confident | 75.7 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 165.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F193 L196 H298 V299 | F193-A217 HydrophobicContact CB-CB 3.61Å; F193-A217 HydrophobicContact CG-CB 4.1Å; L196-A217 HydrophobicContact CB-CB 4.46Å; L196-A217 HydrophobicContact CD1-CB 4.01Å; A217-H298 CarbonylContact O-C 3.6Å; A217-H298 VanDerWaalsContact O-CA 3.25Å; A217-H298 WeakPolarHBondContact O-CA 3.23Å; A217-V299 HydrophobicContact CB-CG1 3.82Å; A217-V299 PolarHBondContact N-O 3.21Å; A217-V299 PolarHBondContact O-N 2.87Å |
| 218 | E | 81.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.7 | 179.4 | -68.3 | 158.2 | -155.9 | 0 | 0 | 109.2 | F193 A194 R195 K220 F279 K799 | F193-E218 CarbonylContact C-O 3.52Å; F193-E218 WeakPolarHBondContact CA-O 3.34Å; A194-E218 PolarHBondContact N-O 2.92Å; A194-E218 PolarHBondContact O-N 3.47Å; R195-E218 WeakPolarHBondContact CD-OE1 3.1Å; R195-E218 WeakPolarHBondContact CD-OE2 3.36Å; E218-K220 PolarHBondContact O-N 3.39Å; E218-F279 HydrophobicContact CG-CD2 4.12Å; E218-K799 IonicContact OE1-NZ 2.78Å; E218-K799 PolarHBondContact OE1-NZ 3.48Å |
| 219 | P | 77.9 | Confident | 75.5 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 138 | 172.9 | -24.4 | 35.6 | 0 | 0 | 0 | 112 | F193 L221 L297 F313 S546 | F193-P219 HydrophobicContact CD1-CB 4.2Å; F193-P219 HydrophobicContact CD1-CG 4.09Å; F193-P219 HydrophobicContact CE1-CB 4.35Å; F193-P219 HydrophobicContact CE1-CG 4.14Å; P219-L221 PolarHBondContact O-N 3.39Å; P219-L297 HydrophobicContact CB-CD2 4.05Å; P219-L297 HydrophobicContact CG-CD2 3.92Å; P219-L297 HydrophobicContact CG-CG 3.89Å; P219-F313 HydrophobicContact CG-CE1 4.18Å; P219-S546 WeakPolarHBondContact CB-OG 3.24Å |
| 220 | K | 72 | Confident | 75.7 | Confident | 91 Ų | 91 | 28 Ų | 28 | 40% | 0.396 | 15% | 0.153 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 130.2 | 170.2 | -67.6 | -174.6 | -165.6 | 163.4 | 0 | 109.5 | N190 L191 L192 E218 P278 | N190-K220 WeakPolarHBondContact O-CE 3.45Å; N190-K220 PolarHBondContact O-NZ 3.48Å; L191-K220 VanDerWaalsContact O-CD 3.29Å; L191-K220 WeakPolarHBondContact O-CD 3.42Å; L191-K220 VanDerWaalsContact O-CE 3.3Å; L191-K220 WeakPolarHBondContact O-CE 3.31Å; L191-K220 PolarHBondContact O-NZ 3.32Å; L192-K220 WeakPolarHBondContact O-CB 3.14Å; L192-K220 WeakPolarHBondContact O-CG 3.43Å; L192-K220 PolarHBondContact O-N 3.49Å; E218-K220 PolarHBondContact O-N 3.39Å; K220-P278 HydrophobicContact CB-CG 4.44Å; K220-P278 HydrophobicContact CG-CG 4.36Å |
| 221 | L | 64.4 | Low | 76 | Confident | 35 Ų | 35 | 28.2 Ų | 28.2 | 18% | 0.183 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -70 | 155.7 | -174.2 | -76.3 | 162.7 | 0 | 0 | 0 | 112.6 | P219 M271 P278 L293 T542 | P219-L221 PolarHBondContact O-N 3.39Å; L221-M271 HydrophobicContact CB-CE 4.2Å; L221-M271 HydrophobicContact CD1-CE 4.23Å; L221-P278 HydrophobicContact CB-CB 3.85Å; L221-P278 HydrophobicContact CD1-CB 3.26Å; L221-P278 HydrophobicContact CG-CB 3.39Å; L221-L293 HydrophobicContact CD1-CD1 3.7Å; L221-L293 HydrophobicContact CD1-CD2 3.28Å; L221-L293 HydrophobicContact CD1-CG 4Å; L221-L293 HydrophobicContact CD2-CD2 3.78Å; L221-L293 HydrophobicContact CG-CD2 4.06Å; L221-T542 HydrophobicContact CD2-CG2 3.6Å |
| 222 | L | 61.5 | Low | 76.4 | Confident | 19 Ų | 19 | 27.3 Ų | 27.3 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | trans | -117.9 | 134.4 | -178.8 | -56.2 | 175.7 | 0 | 0 | 0 | 109 | C224 T542 V545 P620 | L222-C224 PolarHBondContact O-N 3.3Å; L222-T542 HydrophobicContact CB-CG2 4.49Å; L222-V545 HydrophobicContact CD1-CB 3.5Å; L222-V545 HydrophobicContact CD1-CG1 3.23Å; L222-V545 HydrophobicContact CD1-CG2 4.23Å; L222-P620 HydrophobicContact CB-CG 4.46Å; L222-P620 HydrophobicContact CD1-CG 3.4Å; L222-P620 HydrophobicContact CD2-CG 3.22Å; L222-P620 HydrophobicContact CG-CG 3.82Å | ||
| 223 | N | 59.1 | Low | 76.6 | Confident | 63 Ų | 63 | 27.9 Ų | 27.9 | 34% | 0.337 | 15% | 0.15 | S | C | . | . | trans | -78 | 107.8 | 167.5 | -172.3 | -3.2 | 0 | 0 | 0 | 108.7 | T225 N272 | N223-T225 PolarHBondContact OD1-N 3.45Å; N223-T225 PolarHBondContact OD1-OG1 3.03Å; N223-N272 PolarHBondContact ND2-OD1 3.41Å | ||
| 224 | C | 55.9 | Low | 76.9 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 9% | 0.088 | 17% | 0.167 | C | C | . | . | trans | -106.3 | 16.8 | -175.9 | -63 | 0 | 0 | 0 | 0 | 113.4 | L222 L541 V622 | L222-C224 PolarHBondContact O-N 3.3Å; C224-L541 HydrophobicContact CB-CB 4.48Å; C224-L541 HydrophobicContact CB-CD1 4.33Å; C224-V622 HydrophobicContact CB-CG2 4.36Å | ||
| 225 | T | 54.6 | Low | 77.2 | Confident | 40 Ų | 40 | 32.5 Ų | 32.5 | 25% | 0.245 | 17% | 0.173 | C | C | . | . | trans | -105.2 | 134.1 | -170.8 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | N223 I268 F292 | N223-T225 PolarHBondContact OD1-N 3.45Å; N223-T225 PolarHBondContact OD1-OG1 3.03Å; T225-I268 HydrophobicContact CG2-CG1 4.3Å; T225-I268 WeakPolarHBondContact OG1-CD1 3.49Å; T225-I268 WeakPolarHBondContact OG1-CG1 3.4Å; T225-F292 HydrophobicContact CG2-CD1 3.73Å; T225-F292 HydrophobicContact CG2-CE1 3.9Å | ||
| 226 | A | 54.8 | Low | 77.6 | Confident | 55 Ų | 55 | 32.2 Ų | 32.2 | 46% | 0.455 | 17% | 0.172 | S | C | . | . | trans | -122.9 | 136.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F228 G624 | A226-F228 VanDerWaalsContact C-N 3.33Å; A226-F228 PolarHBondContact O-N 2.91Å; A226-F228 VanDerWaalsContact O-N 3.11Å; A226-G624 WeakPolarHBondContact CB-O 3.46Å | ||
| 227 | K | 63.4 | Low | 77.9 | Confident | 123 Ų | 123 | 37 Ų | 37 | 54% | 0.535 | 19% | 0.193 | S | C | . | . | trans | -86.2 | 68.5 | -179.8 | -62.8 | -165.9 | -167.5 | -162.9 | 0 | 112.2 | S230 D265 I268 | K227-S230 PolarHBondContact O-OG 2.98Å; K227-D265 VanDerWaalsContact CD-OD1 3.24Å; K227-D265 WeakPolarHBondContact CD-OD1 3.24Å; K227-D265 VanDerWaalsContact CE-CG 3.44Å; K227-D265 WeakPolarHBondContact CE-OD1 3.46Å; K227-D265 IonicContact NZ-OD1 3.6Å; K227-D265 PolarHBondContact NZ-OD1 3.44Å; K227-D265 IonicContact NZ-OD2 2.72Å; K227-D265 PolarHBondContact NZ-OD2 3.47Å; K227-I268 HydrophobicContact CG-CD1 4.25Å | ||
| 228 | F | 72.8 | Confident | 78.3 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | trans | -83.1 | -26.7 | -177.1 | 174.5 | -97.2 | 0 | 0 | 0 | 114 | A226 S230 A355 L358 R359 D625 | A226-F228 VanDerWaalsContact C-N 3.33Å; A226-F228 PolarHBondContact O-N 2.91Å; A226-F228 VanDerWaalsContact O-N 3.11Å; F228-S230 PolarHBondContact O-N 3.09Å; F228-A355 HydrophobicContact CE1-CB 4.17Å; F228-A355 WeakPolarHBondContact CE1-O 3.26Å; F228-A355 WeakPolarHBondContact CZ-O 3.4Å; F228-L358 HydrophobicContact CE1-CB 3.44Å; F228-L358 VanDerWaalsContact CE1-CB 3.44Å; F228-L358 HydrophobicContact CE1-CD1 3.87Å; F228-L358 HydrophobicContact CE1-CG 4.29Å; F228-L358 HydrophobicContact CE2-CB 4.45Å; F228-L358 HydrophobicContact CZ-CB 3.32Å; F228-R359 HydrophobicContact CE2-CB 3.68Å; F228-R359 HydrophobicContact CE2-CG 4.21Å; F228-R359 HydrophobicContact CZ-CB 3.78Å; F228-R359 VanDerWaalsContact CZ-N 3.25Å; F228-D625 HydrophobicContact CB-CB 4.1Å; F228-D625 HydrophobicContact CD1-CB 3.93Å; F228-D625 HydrophobicContact CD2-CB 4.14Å; F228-D625 HydrophobicContact CE1-CB 4.38Å; F228-D625 VanDerWaalsContact CE2-OD2 3.25Å; F228-D625 WeakPolarHBondContact CE2-OD2 3.14Å; F228-D625 HydrophobicContact CG-CB 3.76Å; F228-D625 WeakPolarHBondContact CZ-OD2 3.47Å | ||
| 229 | W | 85.8 | Confident | 78.9 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -5.6 | -171.3 | -67.5 | 94.1 | 0 | 0 | 0 | 114.6 | F231 L232 L233 L257 L261 L351 V354 A355 L358 L530 | W229-F231 VanDerWaalsContact C-N 3.26Å; W229-F231 PolarHBondContact O-N 2.87Å; W229-L232 HydrophobicContact CE3-CD2 4Å; W229-L232 HydrophobicContact CZ3-CD2 4.06Å; W229-L232 PolarHBondContact O-N 3.2Å; W229-L233 PolarHBondContact O-N 2.88Å; W229-L257 HydrophobicContact CB-CD1 4.3Å; W229-L261 HydrophobicContact CB-CD1 4.34Å; W229-L261 HydrophobicContact CB-CD2 3.65Å; W229-L351 HydrophobicContact CH2-CD2 3.73Å; W229-L351 HydrophobicContact CZ2-CD2 4.07Å; W229-V354 HydrophobicContact CH2-CB 4.03Å; W229-V354 HydrophobicContact CH2-CG1 3.46Å; W229-V354 VanDerWaalsContact CH2-CG1 3.46Å; W229-V354 HydrophobicContact CZ3-CG1 3.48Å; W229-V354 VanDerWaalsContact CZ3-CG1 3.48Å; W229-A355 HydrophobicContact CZ2-CB 4.47Å; W229-L358 HydrophobicContact CE3-CD1 3.72Å; W229-L358 HydrophobicContact CH2-CD1 4.4Å; W229-L358 HydrophobicContact CZ3-CD1 3.67Å; W229-L530 HydrophobicContact CD2-CD1 4.23Å; W229-L530 HydrophobicContact CD2-CD2 3.85Å; W229-L530 VanDerWaalsContact CE2-CD1 3.43Å; W229-L530 HydrophobicContact CE3-CD2 4.27Å; W229-L530 HydrophobicContact CG-CD2 4.06Å; W229-L530 HydrophobicContact CZ2-CD1 3.65Å; W229-L530 HydrophobicContact CZ2-CD2 4.4Å; W229-L530 VanDerWaalsContact NE1-CD1 3.27Å |
| 230 | S | 87.9 | Confident | 79.5 | Confident | 48 Ų | 48 | 47.3 Ų | 47.3 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.2 | -38.1 | 175 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | K227 F228 L232 L233 D234 | K227-S230 PolarHBondContact O-OG 2.98Å; F228-S230 PolarHBondContact O-N 3.09Å; S230-L232 VanDerWaalsContact C-N 3.28Å; S230-L232 PolarHBondContact O-N 3.32Å; S230-L233 WeakPolarHBondContact O-CB 3.37Å; S230-L233 PolarHBondContact O-N 3.04Å; S230-D234 WeakPolarHBondContact O-CB 3.41Å; S230-D234 PolarHBondContact O-N 3.43Å |
| 231 | F | 90.8 | Very high | 80.5 | Confident | 19 Ų | 19 | 44 Ų | 44 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -50.1 | -48.8 | 174.1 | 173.3 | -86.9 | 0 | 0 | 0 | 111.8 | W229 D234 H235 L358 M361 E365 V506 | W229-F231 VanDerWaalsContact C-N 3.26Å; W229-F231 PolarHBondContact O-N 2.87Å; F231-D234 PolarHBondContact O-N 2.69Å; F231-H235 AromaticContact CD2-CD2 3.73Å; F231-H235 AromaticContact CD2-NE2 3.84Å; F231-H235 AromaticContact CE1-CD2 3.75Å; F231-H235 AromaticContact CE2-CD2 3.42Å; F231-H235 VanDerWaalsContact CE2-CD2 3.42Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.33Å; F231-H235 AromaticContact CE2-NE2 3.23Å; F231-H235 WeakPolarHBondContact CE2-NE2 3.23Å; F231-H235 AromaticContact CZ-CD2 3.4Å; F231-H235 WeakPolarHBondContact CZ-CD2 3.31Å; F231-H235 AromaticContact CZ-NE2 3.47Å; F231-H235 WeakPolarHBondContact CZ-NE2 3.35Å; F231-H235 PolarHBondContact O-CD2 3.09Å; F231-H235 VanDerWaalsContact O-CD2 3.27Å; F231-H235 PolarHBondContact O-N 3.24Å; F231-H235 VanDerWaalsContact O-N 3.13Å; F231-L358 HydrophobicContact CD1-CD2 3.93Å; F231-L358 HydrophobicContact CE1-CD2 4.01Å; F231-M361 HydrophobicContact CE1-CB 3.89Å; F231-M361 HydrophobicContact CE1-SD 4.19Å; F231-M361 HydrophobicContact CE2-CB 4.45Å; F231-M361 HydrophobicContact CZ-CB 3.61Å; F231-E365 VanDerWaalsContact CE2-OE2 3.29Å; F231-E365 WeakPolarHBondContact CE2-OE2 3.27Å; F231-V506 HydrophobicContact CE1-CG1 4.35Å; F231-V506 HydrophobicContact CZ-CG1 4.29Å; F231-V506 HydrophobicContact CZ-CG2 4.08Å |
| 232 | L | 93.4 | Very high | 82 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 179.9 | 179.4 | 62 | 0 | 0 | 0 | 111.4 | W229 S230 M236 L257 L358 I510 M513 | W229-L232 HydrophobicContact CE3-CD2 4Å; W229-L232 HydrophobicContact CZ3-CD2 4.06Å; W229-L232 PolarHBondContact O-N 3.2Å; S230-L232 VanDerWaalsContact C-N 3.28Å; S230-L232 PolarHBondContact O-N 3.32Å; L232-M236 HydrophobicContact CD1-CE 4.33Å; L232-M236 HydrophobicContact CD1-CG 4.28Å; L232-M236 HydrophobicContact CD1-SD 4.42Å; L232-M236 HydrophobicContact CD2-CE 4.23Å; L232-M236 HydrophobicContact CG-CE 3.72Å; L232-M236 HydrophobicContact CG-SD 4.41Å; L232-M236 WeakPolarHBondContact O-CB 3.35Å; L232-M236 VanDerWaalsContact O-CG 3.29Å; L232-M236 WeakPolarHBondContact O-CG 3.31Å; L232-M236 PolarHBondContact O-N 3.49Å; L232-L257 HydrophobicContact CB-CD2 4.27Å; L232-L257 HydrophobicContact CD2-CD2 4.13Å; L232-L257 HydrophobicContact CG-CD2 4.12Å; L232-L358 HydrophobicContact CB-CD1 4.01Å; L232-L358 HydrophobicContact CB-CD2 4.22Å; L232-L358 HydrophobicContact CD1-CD2 4.2Å; L232-L358 HydrophobicContact CD2-CD1 4.24Å; L232-I510 HydrophobicContact CD1-CD1 4.4Å; L232-I510 HydrophobicContact CD1-CG1 3.88Å; L232-M513 HydrophobicContact CD2-CE 4.33Å; L232-M513 HydrophobicContact CD2-SD 4.01Å |
| 233 | L | 94.9 | Very high | 83.6 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 178.4 | -177.2 | 59.6 | 0 | 0 | 0 | 112 | W229 S230 M236 K237 V254 L257 L261 | W229-L233 PolarHBondContact O-N 2.88Å; S230-L233 WeakPolarHBondContact O-CB 3.37Å; S230-L233 PolarHBondContact O-N 3.04Å; L233-M236 PolarHBondContact O-N 3.39Å; L233-K237 HydrophobicContact CD1-CD 4.48Å; L233-K237 HydrophobicContact CD1-CG 4.48Å; L233-K237 HydrophobicContact CG-CD 4.3Å; L233-K237 WeakPolarHBondContact O-CG 3.49Å; L233-K237 PolarHBondContact O-N 3.26Å; L233-V254 HydrophobicContact CD1-CB 4.43Å; L233-V254 HydrophobicContact CD1-CG1 4.02Å; L233-L257 HydrophobicContact CB-CD2 3.76Å; L233-L257 HydrophobicContact CB-CG 4.26Å; L233-L257 HydrophobicContact CD1-CB 4.36Å; L233-L257 HydrophobicContact CD1-CD2 4.29Å; L233-L257 HydrophobicContact CD1-CG 4.35Å; L233-L261 HydrophobicContact CB-CD1 4.21Å; L233-L261 HydrophobicContact CD2-CD1 3.88Å |
| 234 | D | 93.7 | Very high | 85.2 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 43% | 0.433 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.4 | -48 | -178.2 | -65.7 | -23.8 | 0 | 0 | 0 | 110.7 | S230 F231 M236 K237 N238 | S230-D234 WeakPolarHBondContact O-CB 3.41Å; S230-D234 PolarHBondContact O-N 3.43Å; F231-D234 PolarHBondContact O-N 2.69Å; D234-M236 PolarHBondContact O-N 3.16Å; D234-K237 PolarHBondContact O-N 3.14Å; D234-N238 PolarHBondContact O-N 3.31Å; D234-N238 VanDerWaalsContact O-N 3.09Å; D234-N238 PolarHBondContact O-ND2 2.86Å |
| 235 | H | 95 | Very high | 87 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 175.7 | -79.4 | -75.2 | 0 | 0 | 0 | 112.7 | F231 N238 L239 E365 V506 I510 | F231-H235 AromaticContact CD2-CD2 3.73Å; F231-H235 AromaticContact CD2-NE2 3.84Å; F231-H235 AromaticContact CE1-CD2 3.75Å; F231-H235 AromaticContact CE2-CD2 3.42Å; F231-H235 VanDerWaalsContact CE2-CD2 3.42Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.33Å; F231-H235 AromaticContact CE2-NE2 3.23Å; F231-H235 WeakPolarHBondContact CE2-NE2 3.23Å; F231-H235 AromaticContact CZ-CD2 3.4Å; F231-H235 WeakPolarHBondContact CZ-CD2 3.31Å; F231-H235 AromaticContact CZ-NE2 3.47Å; F231-H235 WeakPolarHBondContact CZ-NE2 3.35Å; F231-H235 PolarHBondContact O-CD2 3.09Å; F231-H235 VanDerWaalsContact O-CD2 3.27Å; F231-H235 PolarHBondContact O-N 3.24Å; F231-H235 VanDerWaalsContact O-N 3.13Å; H235-N238 PolarHBondContact O-N 3.24Å; H235-L239 PolarHBondContact O-N 3.41Å; H235-E365 IonicContact CE1-OE2 3.96Å; H235-E365 IonicContact NE2-OE2 3.76Å; H235-E365 PolarHBondContact NE2-OE2 3.49Å; H235-V506 HydrophobicContact CB-CG1 3.91Å; H235-I510 HydrophobicContact CB-CD1 3.64Å |
| 236 | M | 96.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 173.7 | -78 | -168.3 | -64.6 | 0 | 0 | 112.8 | L232 L233 D234 N238 K250 H253 V254 L257 I510 | L232-M236 HydrophobicContact CD1-CE 4.33Å; L232-M236 HydrophobicContact CD1-CG 4.28Å; L232-M236 HydrophobicContact CD1-SD 4.42Å; L232-M236 HydrophobicContact CD2-CE 4.23Å; L232-M236 HydrophobicContact CG-CE 3.72Å; L232-M236 HydrophobicContact CG-SD 4.41Å; L232-M236 WeakPolarHBondContact O-CB 3.35Å; L232-M236 VanDerWaalsContact O-CG 3.29Å; L232-M236 WeakPolarHBondContact O-CG 3.31Å; L232-M236 PolarHBondContact O-N 3.49Å; L233-M236 PolarHBondContact O-N 3.39Å; D234-M236 PolarHBondContact O-N 3.16Å; M236-N238 VanDerWaalsContact C-N 3.34Å; M236-K250 VanDerWaalsContact O-CD 3.27Å; M236-K250 WeakPolarHBondContact O-CD 3.15Å; M236-K250 WeakPolarHBondContact O-CE 3.4Å; M236-H253 HydrophobicContact SD-CB 3.96Å; M236-V254 HydrophobicContact CB-CG2 3.82Å; M236-L257 HydrophobicContact CE-CB 4.33Å; M236-L257 HydrophobicContact CE-CD2 3.38Å; M236-L257 HydrophobicContact CE-CG 4.49Å; M236-I510 HydrophobicContact CG-CD1 3.96Å; M236-I510 HydrophobicContact CG-CG1 4.14Å; M236-I510 HydrophobicContact CG-CG2 3.72Å; M236-I510 HydrophobicContact SD-CG2 4.46Å |
| 237 | K | 95.9 | Very high | 90.9 | Very high | 101 Ų | 101 | 54.1 Ų | 54.1 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 177 | -77.7 | 174 | 177 | 175 | 0 | 111.9 | L233 D234 L239 H240 V254 | L233-K237 HydrophobicContact CD1-CD 4.48Å; L233-K237 HydrophobicContact CD1-CG 4.48Å; L233-K237 HydrophobicContact CG-CD 4.3Å; L233-K237 WeakPolarHBondContact O-CG 3.49Å; L233-K237 PolarHBondContact O-N 3.26Å; D234-K237 PolarHBondContact O-N 3.14Å; K237-L239 VanDerWaalsContact C-N 3.33Å; K237-H240 PolarHBondContact O-CE1 3.05Å; K237-V254 HydrophobicContact CG-CG1 3.93Å; K237-V254 HydrophobicContact CG-CG2 4.42Å |
| 238 | N | 92.3 | Very high | 92.4 | Very high | 101 Ų | 101 | 51 Ų | 51 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -84 | -2.8 | -176.6 | -64.2 | -33.9 | 0 | 0 | 0 | 114.3 | D234 H235 M236 H240 | D234-N238 PolarHBondContact O-N 3.31Å; D234-N238 VanDerWaalsContact O-N 3.09Å; D234-N238 PolarHBondContact O-ND2 2.86Å; H235-N238 PolarHBondContact O-N 3.24Å; M236-N238 VanDerWaalsContact C-N 3.34Å; N238-H240 WeakPolarHBondContact CA-NE2 3.46Å; N238-H240 PolarHBondContact O-CD2 3.2Å; N238-H240 PolarHBondContact O-N 3.36Å; N238-H240 PolarHBondContact O-NE2 3.43Å |
| 239 | L | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -85.5 | 93.9 | 178.2 | 178.5 | 54.6 | 0 | 0 | 0 | 110.9 | H235 K237 Y241 L242 K250 H507 I510 V511 | H235-L239 PolarHBondContact O-N 3.41Å; K237-L239 VanDerWaalsContact C-N 3.33Å; L239-Y241 HydrophobicContact CD1-CD1 4.04Å; L239-Y241 HydrophobicContact CD1-CD2 4.44Å; L239-Y241 HydrophobicContact CD1-CE1 3.41Å; L239-Y241 VanDerWaalsContact CD1-CE1 3.41Å; L239-Y241 HydrophobicContact CD1-CE2 3.89Å; L239-L242 HydrophobicContact CD1-CD2 4.12Å; L239-L242 HydrophobicContact CD1-CG 4.27Å; L239-L242 HydrophobicContact CD2-CD1 3.82Å; L239-L242 HydrophobicContact CD2-CD2 4.09Å; L239-L242 HydrophobicContact CD2-CG 4.1Å; L239-L242 HydrophobicContact CG-CD1 3.98Å; L239-L242 HydrophobicContact CG-CD2 4.1Å; L239-L242 HydrophobicContact CG-CG 3.85Å; L239-K250 HydrophobicContact CB-CD 4.37Å; L239-K250 PolarHBondContact O-NZ 3.04Å; L239-H507 HydrophobicContact CD1-CB 4.26Å; L239-I510 HydrophobicContact CD2-CB 4.29Å; L239-I510 HydrophobicContact CD2-CG2 3.69Å; L239-V511 HydrophobicContact CD2-CG2 4.31Å | ||
| 240 | H | 91.1 | Very high | 94 | Very high | 121 Ų | 121 | 52.9 Ų | 52.9 | 56% | 0.56 | 27% | 0.27 | S | S | * | . | trans | -105.6 | -7.7 | -166.8 | -61.2 | -58.4 | 0 | 0 | 0 | 116.7 | K237 N238 | K237-H240 PolarHBondContact O-CE1 3.05Å; N238-H240 WeakPolarHBondContact CA-NE2 3.46Å; N238-H240 PolarHBondContact O-CD2 3.2Å; N238-H240 PolarHBondContact O-N 3.36Å; N238-H240 PolarHBondContact O-NE2 3.43Å | ||
| 241 | Y | 93.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 55 Ų | 55 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | trans | -103.4 | 15.4 | -170.9 | 56 | -95.5 | 0 | 0 | 0 | 113.2 | L239 L423 W426 F427 V444 H507 | L239-Y241 HydrophobicContact CD1-CD1 4.04Å; L239-Y241 HydrophobicContact CD1-CD2 4.44Å; L239-Y241 HydrophobicContact CD1-CE1 3.41Å; L239-Y241 VanDerWaalsContact CD1-CE1 3.41Å; L239-Y241 HydrophobicContact CD1-CE2 3.89Å; Y241-L423 HydrophobicContact CE2-CD2 3.64Å; Y241-W426 HydrophobicContact CD2-CB 4.13Å; Y241-W426 WeakPolarHBondContact O-CB 3.19Å; Y241-F427 AromaticContact CD1-CD2 3.82Å; Y241-F427 HydrophobicContact CD1-CD2 3.82Å; Y241-F427 HydrophobicContact CD2-CB 4.03Å; Y241-F427 AromaticContact CE1-CD2 3.94Å; Y241-F427 HydrophobicContact CE1-CD2 3.94Å; Y241-F427 HydrophobicContact CE2-CB 4.21Å; Y241-F427 HydrophobicContact CG-CB 4.28Å; Y241-F427 HydrophobicContact CG-CD2 4.14Å; Y241-V444 HydrophobicContact CE1-CG2 4.11Å; Y241-V444 WeakPolarHBondContact OH-CG2 3.4Å; Y241-H507 AromaticContact CE1-CE1 3.93Å; Y241-H507 AromaticContact CE1-ND1 3.82Å; Y241-H507 AromaticContact CZ-ND1 3.64Å; Y241-H507 WeakPolarHBondContact OH-CB 3.43Å; Y241-H507 VanDerWaalsContact OH-CG 3.32Å; Y241-H507 PolarHBondContact OH-ND1 3.44Å | ||
| 242 | L | 95.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | trans | -72.9 | 151 | 178.4 | -61.6 | -175.5 | 0 | 0 | 0 | 112.2 | L239 L246 D247 K250 L423 W426 V511 L514 | L239-L242 HydrophobicContact CD1-CD2 4.12Å; L239-L242 HydrophobicContact CD1-CG 4.27Å; L239-L242 HydrophobicContact CD2-CD1 3.82Å; L239-L242 HydrophobicContact CD2-CD2 4.09Å; L239-L242 HydrophobicContact CD2-CG 4.1Å; L239-L242 HydrophobicContact CG-CD1 3.98Å; L239-L242 HydrophobicContact CG-CD2 4.1Å; L239-L242 HydrophobicContact CG-CG 3.85Å; L242-L246 HydrophobicContact CB-CB 4.18Å; L242-L246 HydrophobicContact CD1-CB 4.22Å; L242-D247 HydrophobicContact CB-CB 4.34Å; L242-K250 HydrophobicContact CD1-CB 4.29Å; L242-K250 HydrophobicContact CD1-CD 3.96Å; L242-K250 HydrophobicContact CD1-CG 4.45Å; L242-L423 HydrophobicContact CD2-CD2 4.43Å; L242-W426 HydrophobicContact CD2-CE3 4.03Å; L242-W426 HydrophobicContact CD2-CZ3 4.13Å; L242-V511 HydrophobicContact CD2-CG2 3.72Å; L242-L514 HydrophobicContact CD1-CD1 3.83Å | ||
| 243 | P | 95.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 57 Ų | 57 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | trans | -64.5 | 155.5 | 169.5 | 28.5 | -35.1 | 0 | 0 | 0 | 111.1 | D245 L246 D247 W426 | P243-D245 VanDerWaalsContact C-N 3.3Å; P243-D245 PolarHBondContact O-N 2.97Å; P243-D245 VanDerWaalsContact O-N 3.11Å; P243-L246 HydrophobicContact CG-CB 4.09Å; P243-L246 HydrophobicContact CG-CD1 3.82Å; P243-L246 HydrophobicContact CG-CG 4.13Å; P243-L246 PolarHBondContact O-N 3.42Å; P243-D247 PolarHBondContact O-N 3.31Å; P243-W426 HydrophobicContact CG-CD2 4.29Å; P243-W426 HydrophobicContact CG-CH2 4.39Å; P243-W426 HydrophobicContact CG-CZ2 3.99Å | ||
| 244 | K | 93.5 | Very high | 95 | Very high | 187 Ų | 187 | 57.2 Ų | 57.2 | 81% | 0.813 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -48.9 | -44.1 | -171.6 | -67.9 | -176.9 | 178.3 | 179 | 0 | 114.3 | D247 A248 | K244-D247 PolarHBondContact O-N 3.47Å; K244-A248 WeakPolarHBondContact O-CB 3.35Å; K244-A248 PolarHBondContact O-N 2.81Å |
| 245 | D | 93.1 | Very high | 95.1 | Very high | 125 Ų | 125 | 60.5 Ų | 60.5 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70 | -33.9 | -177.4 | -61.2 | -30.7 | 0 | 0 | 0 | 113.3 | P243 R249 | P243-D245 VanDerWaalsContact C-N 3.3Å; P243-D245 PolarHBondContact O-N 2.97Å; P243-D245 VanDerWaalsContact O-N 3.11Å; D245-R249 PolarHBondContact O-N 3.05Å; D245-R249 PolarHBondContact O-NE 3.37Å |
| 246 | L | 95.3 | Very high | 95.1 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -78.3 | -36.1 | 174.6 | -75.4 | 178.3 | 0 | 0 | 0 | 111.1 | L242 P243 R249 K250 W426 V511 N515 | L242-L246 HydrophobicContact CB-CB 4.18Å; L242-L246 HydrophobicContact CD1-CB 4.22Å; P243-L246 HydrophobicContact CG-CB 4.09Å; P243-L246 HydrophobicContact CG-CD1 3.82Å; P243-L246 HydrophobicContact CG-CG 4.13Å; P243-L246 PolarHBondContact O-N 3.42Å; L246-R249 PolarHBondContact O-N 3.47Å; L246-K250 WeakPolarHBondContact O-CB 3.48Å; L246-K250 PolarHBondContact O-N 3.3Å; L246-W426 HydrophobicContact CD1-CH2 3.4Å; L246-W426 HydrophobicContact CD1-CZ2 4.16Å; L246-W426 HydrophobicContact CD1-CZ3 3.73Å; L246-V511 HydrophobicContact CD1-CG1 4.36Å; L246-N515 WeakPolarHBondContact CD2-OD1 3.44Å |
| 247 | D | 96.1 | Very high | 95 | Very high | 48 Ų | 48 | 60.5 Ų | 60.5 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.6 | -169.1 | 65.5 | 0 | 0 | 0 | 111.1 | L242 P243 K244 R249 K250 Q251 | L242-D247 HydrophobicContact CB-CB 4.34Å; P243-D247 PolarHBondContact O-N 3.31Å; K244-D247 PolarHBondContact O-N 3.47Å; D247-R249 VanDerWaalsContact C-N 3.31Å; D247-R249 PolarHBondContact O-N 3.03Å; D247-K250 VanDerWaalsContact O-CB 3.3Å; D247-K250 WeakPolarHBondContact O-CB 3.5Å; D247-K250 PolarHBondContact O-N 2.88Å; D247-K250 VanDerWaalsContact O-N 3.12Å; D247-K250 WeakPolarHBondContact OD1-CE 3.24Å; D247-K250 IonicContact OD1-NZ 3.85Å; D247-K250 PolarHBondContact OD1-NZ 2.94Å; D247-Q251 WeakPolarHBondContact O-CG 3.13Å; D247-Q251 PolarHBondContact O-N 3.46Å |
| 248 | A | 95.6 | Very high | 94.9 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 49% | 0.488 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K244 Q251 V252 | K244-A248 WeakPolarHBondContact O-CB 3.35Å; K244-A248 PolarHBondContact O-N 2.81Å; A248-Q251 PolarHBondContact O-N 3.08Å; A248-V252 PolarHBondContact O-N 3.44Å |
| 249 | R | 95.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 173.8 | -79 | -176.6 | -96.6 | 170.1 | -11.2 | 111.9 | D245 L246 D247 Q251 V252 H253 | D245-R249 PolarHBondContact O-N 3.05Å; D245-R249 PolarHBondContact O-NE 3.37Å; L246-R249 PolarHBondContact O-N 3.47Å; D247-R249 VanDerWaalsContact C-N 3.31Å; D247-R249 PolarHBondContact O-N 3.03Å; R249-Q251 VanDerWaalsContact C-N 3.26Å; R249-Q251 PolarHBondContact O-N 3.11Å; R249-V252 WeakPolarHBondContact O-CB 3.39Å; R249-V252 PolarHBondContact O-N 3.02Å; R249-V252 VanDerWaalsContact O-N 3.08Å; R249-H253 PolarHBondContact O-CD2 2.93Å; R249-H253 PolarHBondContact O-N 3.23Å; R249-H253 VanDerWaalsContact O-N 3.13Å |
| 250 | K | 96.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.7 | -42.5 | 175.3 | -170.2 | -160.8 | 82.7 | -165.8 | 0 | 111.5 | M236 L239 L242 L246 D247 V252 H253 V254 L514 | M236-K250 VanDerWaalsContact O-CD 3.27Å; M236-K250 WeakPolarHBondContact O-CD 3.15Å; M236-K250 WeakPolarHBondContact O-CE 3.4Å; L239-K250 HydrophobicContact CB-CD 4.37Å; L239-K250 PolarHBondContact O-NZ 3.04Å; L242-K250 HydrophobicContact CD1-CB 4.29Å; L242-K250 HydrophobicContact CD1-CD 3.96Å; L242-K250 HydrophobicContact CD1-CG 4.45Å; L246-K250 WeakPolarHBondContact O-CB 3.48Å; L246-K250 PolarHBondContact O-N 3.3Å; D247-K250 VanDerWaalsContact O-CB 3.3Å; D247-K250 WeakPolarHBondContact O-CB 3.5Å; D247-K250 PolarHBondContact O-N 2.88Å; D247-K250 VanDerWaalsContact O-N 3.12Å; D247-K250 WeakPolarHBondContact OD1-CE 3.24Å; D247-K250 IonicContact OD1-NZ 3.85Å; D247-K250 PolarHBondContact OD1-NZ 2.94Å; K250-V252 VanDerWaalsContact C-N 3.34Å; K250-V252 PolarHBondContact O-N 2.81Å; K250-H253 WeakPolarHBondContact O-CB 3.35Å; K250-H253 PolarHBondContact O-N 3.47Å; K250-H253 VanDerWaalsContact O-N 3.13Å; K250-V254 HydrophobicContact CG-CG2 4.4Å; K250-V254 WeakPolarHBondContact O-CG2 3.45Å; K250-V254 PolarHBondContact O-N 3.44Å; K250-L514 HydrophobicContact CB-CD1 3.84Å; K250-L514 HydrophobicContact CB-CD2 4.3Å; K250-L514 HydrophobicContact CG-CD1 4.22Å |
| 251 | Q | 96.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 50 Ų | 50 | 43% | 0.425 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 178.1 | -63.1 | -52.3 | -29.9 | 0 | 0 | 112.6 | D247 A248 R249 H253 V254 Q255 | D247-Q251 WeakPolarHBondContact O-CG 3.13Å; D247-Q251 PolarHBondContact O-N 3.46Å; A248-Q251 PolarHBondContact O-N 3.08Å; R249-Q251 VanDerWaalsContact C-N 3.26Å; R249-Q251 PolarHBondContact O-N 3.11Å; Q251-H253 VanDerWaalsContact C-N 3.31Å; Q251-H253 PolarHBondContact O-N 3.37Å; Q251-V254 PolarHBondContact O-N 2.93Å; Q251-Q255 WeakPolarHBondContact O-CB 3.38Å; Q251-Q255 PolarHBondContact O-N 3.41Å |
| 252 | V | 96.5 | Very high | 94.4 | Very high | 62 Ų | 62 | 55 Ų | 55 | 38% | 0.376 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | A248 R249 K250 A256 V523 | A248-V252 PolarHBondContact O-N 3.44Å; R249-V252 WeakPolarHBondContact O-CB 3.39Å; R249-V252 PolarHBondContact O-N 3.02Å; R249-V252 VanDerWaalsContact O-N 3.08Å; K250-V252 VanDerWaalsContact C-N 3.34Å; K250-V252 PolarHBondContact O-N 2.81Å; V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 3.44Å; V252-V523 HydrophobicContact CG1-CG1 4.14Å |
| 253 | H | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.5 | -82 | -104.9 | 0 | 0 | 0 | 113 | M236 R249 K250 Q251 Q255 A256 L257 L514 V523 Y527 | M236-H253 HydrophobicContact SD-CB 3.96Å; R249-H253 PolarHBondContact O-CD2 2.93Å; R249-H253 PolarHBondContact O-N 3.23Å; R249-H253 VanDerWaalsContact O-N 3.13Å; K250-H253 WeakPolarHBondContact O-CB 3.35Å; K250-H253 PolarHBondContact O-N 3.47Å; K250-H253 VanDerWaalsContact O-N 3.13Å; Q251-H253 VanDerWaalsContact C-N 3.31Å; Q251-H253 PolarHBondContact O-N 3.37Å; H253-Q255 VanDerWaalsContact C-N 3.32Å; H253-Q255 PolarHBondContact O-N 3.21Å; H253-A256 PolarHBondContact O-N 3.35Å; H253-L257 VanDerWaalsContact O-CB 3.3Å; H253-L257 WeakPolarHBondContact O-CB 3.32Å; H253-L257 PolarHBondContact O-N 2.84Å; H253-L514 HydrophobicContact CB-CD2 4.13Å; H253-L514 WeakPolarHBondContact CD2-CD2 3.33Å; H253-V523 VanDerWaalsContact NE2-CG2 3.26Å; H253-V523 WeakPolarHBondContact NE2-CG2 3.49Å; H253-Y527 HydrophobicContact CB-CE2 4.38Å; H253-Y527 AromaticContact ND1-CE2 3.86Å; H253-Y527 AromaticContact ND1-CZ 3.8Å; H253-Y527 PolarHBondContact ND1-OH 3.37Å |
| 254 | V | 96.6 | Very high | 93.3 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 179 | 167.8 | 0 | 0 | 0 | 0 | 110.5 | L233 M236 K237 K250 Q251 G258 | L233-V254 HydrophobicContact CD1-CB 4.43Å; L233-V254 HydrophobicContact CD1-CG1 4.02Å; M236-V254 HydrophobicContact CB-CG2 3.82Å; K237-V254 HydrophobicContact CG-CG1 3.93Å; K237-V254 HydrophobicContact CG-CG2 4.42Å; K250-V254 HydrophobicContact CG-CG2 4.4Å; K250-V254 WeakPolarHBondContact O-CG2 3.45Å; K250-V254 PolarHBondContact O-N 3.44Å; Q251-V254 PolarHBondContact O-N 2.93Å; V254-G258 WeakPolarHBondContact O-CA 3.4Å; V254-G258 PolarHBondContact O-N 3.06Å |
| 255 | Q | 96 | Very high | 92.8 | Very high | 150 Ų | 150 | 48.7 Ų | 48.7 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.2 | -48.1 | 177.6 | -173.2 | -179.1 | 12.1 | 0 | 0 | 111.6 | Q251 H253 G258 A259 | Q251-Q255 WeakPolarHBondContact O-CB 3.38Å; Q251-Q255 PolarHBondContact O-N 3.41Å; H253-Q255 VanDerWaalsContact C-N 3.32Å; H253-Q255 PolarHBondContact O-N 3.21Å; Q255-G258 PolarHBondContact O-N 2.72Å; Q255-A259 WeakPolarHBondContact O-CB 3.27Å; Q255-A259 PolarHBondContact O-N 2.94Å |
| 256 | A | 94.8 | Very high | 92.2 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.9 | -41.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V252 H253 C260 V523 Y527 | V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 3.44Å; H253-A256 PolarHBondContact O-N 3.35Å; A256-C260 PolarHBondContact O-N 3.33Å; A256-V523 HydrophobicContact CB-CG1 4.23Å; A256-Y527 HydrophobicContact CB-CD2 3.36Å; A256-Y527 HydrophobicContact CB-CE2 3.76Å; A256-Y527 HydrophobicContact CB-CG 4.22Å |
| 257 | L | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -47 | 173.4 | -179.4 | 55.6 | 0 | 0 | 0 | 110.6 | W229 L232 L233 M236 H253 A259 C260 L261 Y527 L530 | W229-L257 HydrophobicContact CB-CD1 4.3Å; L232-L257 HydrophobicContact CB-CD2 4.27Å; L232-L257 HydrophobicContact CD2-CD2 4.13Å; L232-L257 HydrophobicContact CG-CD2 4.12Å; L233-L257 HydrophobicContact CB-CD2 3.76Å; L233-L257 HydrophobicContact CB-CG 4.26Å; L233-L257 HydrophobicContact CD1-CB 4.36Å; L233-L257 HydrophobicContact CD1-CD2 4.29Å; L233-L257 HydrophobicContact CD1-CG 4.35Å; M236-L257 HydrophobicContact CE-CB 4.33Å; M236-L257 HydrophobicContact CE-CD2 3.38Å; M236-L257 HydrophobicContact CE-CG 4.49Å; H253-L257 VanDerWaalsContact O-CB 3.3Å; H253-L257 WeakPolarHBondContact O-CB 3.32Å; H253-L257 PolarHBondContact O-N 2.84Å; L257-A259 VanDerWaalsContact C-N 3.32Å; L257-A259 PolarHBondContact O-N 3.44Å; L257-C260 PolarHBondContact O-N 3.35Å; L257-C260 VanDerWaalsContact O-N 3.12Å; L257-L261 HydrophobicContact CD1-CD1 4.26Å; L257-L261 HydrophobicContact CD1-CD2 4Å; L257-L261 HydrophobicContact CD1-CG 3.91Å; L257-L261 HydrophobicContact CG-CD1 4.22Å; L257-L261 HydrophobicContact CG-CG 4.21Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 3.46Å; L257-Y527 HydrophobicContact CB-CD1 4.17Å; L257-Y527 HydrophobicContact CB-CE1 3.65Å; L257-Y527 HydrophobicContact CB-CE2 4.39Å; L257-Y527 HydrophobicContact CD1-CD1 4.01Å; L257-Y527 HydrophobicContact CD1-CE1 3.81Å; L257-Y527 HydrophobicContact CD2-CE1 4.41Å; L257-Y527 HydrophobicContact CG-CE1 4.15Å; L257-L530 HydrophobicContact CD1-CD2 4.14Å |
| 258 | G | 93.7 | Very high | 90.5 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.9 | -47.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V254 Q255 L261 E262 | V254-G258 WeakPolarHBondContact O-CA 3.4Å; V254-G258 PolarHBondContact O-N 3.06Å; Q255-G258 PolarHBondContact O-N 2.72Å; G258-L261 PolarHBondContact O-N 3.44Å; G258-E262 WeakPolarHBondContact O-CB 3.34Å; G258-E262 PolarHBondContact O-N 2.9Å |
| 259 | A | 92.2 | Very high | 89.4 | Confident | 55 Ų | 55 | 44 Ų | 44 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q255 L257 K263 | Q255-A259 WeakPolarHBondContact O-CB 3.27Å; Q255-A259 PolarHBondContact O-N 2.94Å; L257-A259 VanDerWaalsContact C-N 3.32Å; L257-A259 PolarHBondContact O-N 3.44Å; A259-K263 WeakPolarHBondContact O-CB 3.31Å; A259-K263 PolarHBondContact O-N 3.1Å; A259-K263 VanDerWaalsContact O-N 3.08Å |
| 260 | C | 90.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | A256 L257 K263 L264 C531 | A256-C260 PolarHBondContact O-N 3.33Å; L257-C260 PolarHBondContact O-N 3.35Å; L257-C260 VanDerWaalsContact O-N 3.12Å; C260-K263 WeakPolarHBondContact O-CB 3.41Å; C260-K263 PolarHBondContact O-N 2.96Å; C260-L264 VanDerWaalsContact O-CG 3.31Å; C260-L264 WeakPolarHBondContact O-CG 3.46Å; C260-L264 PolarHBondContact O-N 3.26Å; C260-C531 VanDerWaalsContact CA-SG 3.58Å; C260-C531 WeakPolarHBondContact CB-SG 3.26Å; C260-C531 WeakPolarHBondContact SG-CB 3.35Å; C260-C531 CovalentContact SG-SG 2.07Å; C260-C531 PolarHBondContact SG-SG 3.13Å |
| 261 | L | 89.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 178 | -61.3 | -169.9 | 0 | 0 | 0 | 112.9 | W229 L233 L257 G258 K263 L264 D265 | W229-L261 HydrophobicContact CB-CD1 4.34Å; W229-L261 HydrophobicContact CB-CD2 3.65Å; L233-L261 HydrophobicContact CB-CD1 4.21Å; L233-L261 HydrophobicContact CD2-CD1 3.88Å; L257-L261 HydrophobicContact CD1-CD1 4.26Å; L257-L261 HydrophobicContact CD1-CD2 4Å; L257-L261 HydrophobicContact CD1-CG 3.91Å; L257-L261 HydrophobicContact CG-CD1 4.22Å; L257-L261 HydrophobicContact CG-CG 4.21Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 3.46Å; G258-L261 PolarHBondContact O-N 3.44Å; L261-K263 VanDerWaalsContact C-N 3.31Å; L261-K263 PolarHBondContact O-N 2.98Å; L261-L264 HydrophobicContact CD2-CD1 4.17Å; L261-L264 WeakPolarHBondContact O-CB 3.33Å; L261-L264 PolarHBondContact O-N 3.4Å; L261-D265 VanDerWaalsContact O-CB 3.31Å; L261-D265 WeakPolarHBondContact O-CB 3.48Å; L261-D265 PolarHBondContact O-N 3.08Å |
| 262 | E | 88.2 | Confident | 85.9 | Confident | 126 Ų | 126 | 41 Ų | 41 | 59% | 0.589 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -58.5 | -45.1 | 174.2 | -175.6 | 177.5 | -167.2 | 0 | 0 | 111 | G258 L264 D265 D266 | G258-E262 WeakPolarHBondContact O-CB 3.34Å; G258-E262 PolarHBondContact O-N 2.9Å; E262-L264 PolarHBondContact O-N 2.8Å; E262-D265 WeakPolarHBondContact O-CB 3.42Å; E262-D265 PolarHBondContact O-N 2.8Å; E262-D266 WeakPolarHBondContact O-CB 3.44Å; E262-D266 PolarHBondContact O-N 3.04Å |
| 263 | K | 84.6 | Confident | 84.4 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 22% | 0.217 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 175 | 178.5 | 178.2 | -178.4 | 166.2 | 0 | 112.9 | A259 C260 L261 N267 E323 | A259-K263 WeakPolarHBondContact O-CB 3.31Å; A259-K263 PolarHBondContact O-N 3.1Å; A259-K263 VanDerWaalsContact O-N 3.08Å; C260-K263 WeakPolarHBondContact O-CB 3.41Å; C260-K263 PolarHBondContact O-N 2.96Å; L261-K263 VanDerWaalsContact C-N 3.31Å; L261-K263 PolarHBondContact O-N 2.98Å; K263-N267 PolarHBondContact O-N 3.35Å; K263-N267 PolarHBondContact O-ND2 2.78Å; K263-E323 IonicContact NZ-OE1 3.53Å; K263-E323 PolarHBondContact NZ-OE1 2.87Å; K263-E323 IonicContact NZ-OE2 3.12Å; K263-E323 PolarHBondContact NZ-OE2 3.38Å |
| 264 | L | 84 | Confident | 82.7 | Confident | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -51.2 | 173.9 | -64.2 | -174.9 | 0 | 0 | 0 | 108.9 | C260 L261 E262 D266 N267 I268 F292 A534 | C260-L264 VanDerWaalsContact O-CG 3.31Å; C260-L264 WeakPolarHBondContact O-CG 3.46Å; C260-L264 PolarHBondContact O-N 3.26Å; L261-L264 HydrophobicContact CD2-CD1 4.17Å; L261-L264 WeakPolarHBondContact O-CB 3.33Å; L261-L264 PolarHBondContact O-N 3.4Å; E262-L264 PolarHBondContact O-N 2.8Å; L264-D266 PolarHBondContact O-N 2.91Å; L264-N267 CarbonylContact O-C 3.52Å; L264-N267 WeakPolarHBondContact O-CA 3.18Å; L264-N267 WeakPolarHBondContact O-CB 3.44Å; L264-N267 PolarHBondContact O-N 3.38Å; L264-I268 VanDerWaalsContact O-CG1 3.27Å; L264-I268 WeakPolarHBondContact O-CG1 3.27Å; L264-I268 PolarHBondContact O-N 3.35Å; L264-F292 HydrophobicContact CD2-CE1 4.02Å; L264-F292 HydrophobicContact CD2-CE2 4.36Å; L264-F292 HydrophobicContact CD2-CZ 3.38Å; L264-A534 HydrophobicContact CD2-CB 3.81Å |
| 265 | D | 82.3 | Confident | 80.7 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58 | -44.4 | -177.7 | -73 | -2.9 | 0 | 0 | 0 | 112.8 | K227 L261 E262 N267 I268 E269 | K227-D265 VanDerWaalsContact CD-OD1 3.24Å; K227-D265 WeakPolarHBondContact CD-OD1 3.24Å; K227-D265 VanDerWaalsContact CE-CG 3.44Å; K227-D265 WeakPolarHBondContact CE-OD1 3.46Å; K227-D265 IonicContact NZ-OD1 3.6Å; K227-D265 PolarHBondContact NZ-OD1 3.44Å; K227-D265 IonicContact NZ-OD2 2.72Å; K227-D265 PolarHBondContact NZ-OD2 3.47Å; L261-D265 VanDerWaalsContact O-CB 3.31Å; L261-D265 WeakPolarHBondContact O-CB 3.48Å; L261-D265 PolarHBondContact O-N 3.08Å; E262-D265 WeakPolarHBondContact O-CB 3.42Å; E262-D265 PolarHBondContact O-N 2.8Å; D265-N267 VanDerWaalsContact C-N 3.29Å; D265-N267 PolarHBondContact O-N 2.88Å; D265-I268 WeakPolarHBondContact O-CB 3.42Å; D265-I268 PolarHBondContact O-N 3.33Å; D265-I268 VanDerWaalsContact O-N 3.16Å; D265-E269 VanDerWaalsContact O-CB 3.31Å; D265-E269 WeakPolarHBondContact O-CB 3.34Å; D265-E269 PolarHBondContact O-N 3.42Å |
| 266 | D | 81.8 | Confident | 78.5 | Confident | 77 Ų | 77 | 39.5 Ų | 39.5 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 175 | -78.2 | -20.2 | 0 | 0 | 0 | 111.8 | E262 L264 F270 | E262-D266 WeakPolarHBondContact O-CB 3.44Å; E262-D266 PolarHBondContact O-N 3.04Å; L264-D266 PolarHBondContact O-N 2.91Å; D266-F270 WeakPolarHBondContact O-CB 3.47Å; D266-F270 PolarHBondContact O-N 3.43Å |
| 267 | N | 79.2 | Confident | 76.9 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.8 | -40.2 | 175.5 | -84.8 | -87.3 | 0 | 0 | 0 | 111.4 | K263 L264 D265 F270 M271 T288 E289 F292 | K263-N267 PolarHBondContact O-N 3.35Å; K263-N267 PolarHBondContact O-ND2 2.78Å; L264-N267 CarbonylContact O-C 3.52Å; L264-N267 WeakPolarHBondContact O-CA 3.18Å; L264-N267 WeakPolarHBondContact O-CB 3.44Å; L264-N267 PolarHBondContact O-N 3.38Å; D265-N267 VanDerWaalsContact C-N 3.29Å; D265-N267 PolarHBondContact O-N 2.88Å; N267-F270 PolarHBondContact O-N 2.64Å; N267-M271 VanDerWaalsContact O-CB 3.23Å; N267-M271 WeakPolarHBondContact O-CB 3.47Å; N267-M271 WeakPolarHBondContact O-CG 3.28Å; N267-M271 PolarHBondContact O-N 3.12Å; N267-T288 PolarHBondContact OD1-O 2.96Å; N267-T288 VanDerWaalsContact OD1-O 3.11Å; N267-E289 PolarHBondContact OD1-O 2.96Å; N267-F292 HydrophobicContact CB-CD2 3.5Å; N267-F292 VanDerWaalsContact CB-CD2 3.5Å; N267-F292 HydrophobicContact CB-CE2 3.57Å; N267-F292 HydrophobicContact CB-CG 4.36Å; N267-F292 HydrophobicContact CB-CZ 4.47Å; N267-F292 VanDerWaalsContact CG-CE2 3.43Å; N267-F292 VanDerWaalsContact OD1-CD2 3.32Å; N267-F292 WeakPolarHBondContact OD1-CD2 3.47Å |
| 268 | I | 74.9 | Confident | 75.5 | Confident | 22 Ų | 22 | 45 Ų | 45 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 175.7 | -62.5 | -177.9 | 0 | 0 | 0 | 110.5 | T225 K227 L264 D265 F270 M271 N272 | T225-I268 HydrophobicContact CG2-CG1 4.3Å; T225-I268 WeakPolarHBondContact OG1-CD1 3.49Å; T225-I268 WeakPolarHBondContact OG1-CG1 3.4Å; K227-I268 HydrophobicContact CG-CD1 4.25Å; L264-I268 VanDerWaalsContact O-CG1 3.27Å; L264-I268 WeakPolarHBondContact O-CG1 3.27Å; L264-I268 PolarHBondContact O-N 3.35Å; D265-I268 WeakPolarHBondContact O-CB 3.42Å; D265-I268 PolarHBondContact O-N 3.33Å; D265-I268 VanDerWaalsContact O-N 3.16Å; I268-F270 VanDerWaalsContact C-N 3.34Å; I268-M271 PolarHBondContact O-N 3.04Å; I268-N272 WeakPolarHBondContact O-CB 3.47Å; I268-N272 PolarHBondContact O-N 3.49Å; I268-N272 PolarHBondContact O-ND2 2.97Å |
| 269 | E | 74.4 | Confident | 74.7 | Confident | 36 Ų | 36 | 45.1 Ų | 45.1 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 177.9 | -171.5 | -174.2 | 154.7 | 0 | 0 | 110.2 | L145 K148 Y149 D265 M271 N272 A273 | L145-E269 HydrophobicContact CD1-CG 4.15Å; L145-E269 HydrophobicContact CD2-CG 3.36Å; L145-E269 WeakPolarHBondContact CD2-OE1 3.36Å; L145-E269 HydrophobicContact CG-CG 4.4Å; K148-E269 WeakPolarHBondContact CD-OE1 3.44Å; K148-E269 IonicContact NZ-OE1 2.78Å; K148-E269 PolarHBondContact NZ-OE1 2.98Å; K148-E269 IonicContact NZ-OE2 3.91Å; K148-E269 PolarHBondContact NZ-OE2 3.29Å; Y149-E269 HydrophobicContact CE2-CG 4.16Å; Y149-E269 PolarHBondContact OH-OE1 3.06Å; D265-E269 VanDerWaalsContact O-CB 3.31Å; D265-E269 WeakPolarHBondContact O-CB 3.34Å; D265-E269 PolarHBondContact O-N 3.42Å; E269-M271 PolarHBondContact O-N 2.92Å; E269-N272 PolarHBondContact O-N 3.4Å; E269-A273 VanDerWaalsContact O-CB 3.27Å; E269-A273 WeakPolarHBondContact O-CB 3.36Å; E269-A273 PolarHBondContact O-N 3.44Å |
| 270 | F | 74.6 | Confident | 74.4 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 4% | 0.044 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 174.4 | 172.7 | -96.1 | 0 | 0 | 0 | 111.9 | Y149 L152 D266 N267 I268 N272 A273 F274 E289 L290 | Y149-F270 HydrophobicContact CD1-CD2 4.28Å; Y149-F270 HydrophobicContact CE1-CD2 4.44Å; L152-F270 HydrophobicContact CD1-CD2 4.22Å; L152-F270 HydrophobicContact CD1-CE2 3.75Å; D266-F270 WeakPolarHBondContact O-CB 3.47Å; D266-F270 PolarHBondContact O-N 3.43Å; N267-F270 PolarHBondContact O-N 2.64Å; I268-F270 VanDerWaalsContact C-N 3.34Å; F270-N272 PolarHBondContact O-N 2.87Å; F270-A273 CarbonylContact O-C 3.57Å; F270-A273 PolarHBondContact O-N 3.27Å; F270-F274 HydrophobicContact CE1-CB 4.45Å; F270-F274 HydrophobicContact CE1-CD2 4.13Å; F270-F274 HydrophobicContact CE1-CG 4.49Å; F270-F274 HydrophobicContact CE2-CD2 4.25Å; F270-F274 AromaticContact CZ-CD2 3.61Å; F270-F274 HydrophobicContact CZ-CD2 3.61Å; F270-F274 HydrophobicContact CZ-CE2 4.23Å; F270-F274 HydrophobicContact CZ-CG 4.37Å; F270-F274 VanDerWaalsContact O-CB 3.32Å; F270-F274 WeakPolarHBondContact O-CB 3.41Å; F270-F274 PolarHBondContact O-N 2.85Å; F270-E289 WeakPolarHBondContact CD1-O 3.35Å; F270-E289 VanDerWaalsContact CE1-O 3.24Å; F270-E289 WeakPolarHBondContact CE1-O 3.47Å; F270-L290 HydrophobicContact CE1-CD2 3.65Å; F270-L290 HydrophobicContact CZ-CD2 3.76Å |
| 271 | M | 71.2 | Confident | 74.1 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | -178.5 | -79.9 | -57.1 | -59.8 | 0 | 0 | 112.9 | L221 N267 I268 E269 A273 F274 L293 | L221-M271 HydrophobicContact CB-CE 4.2Å; L221-M271 HydrophobicContact CD1-CE 4.23Å; N267-M271 VanDerWaalsContact O-CB 3.23Å; N267-M271 WeakPolarHBondContact O-CB 3.47Å; N267-M271 WeakPolarHBondContact O-CG 3.28Å; N267-M271 PolarHBondContact O-N 3.12Å; I268-M271 PolarHBondContact O-N 3.04Å; E269-M271 PolarHBondContact O-N 2.92Å; M271-A273 VanDerWaalsContact C-N 3.34Å; M271-F274 PolarHBondContact O-N 3.42Å; M271-L293 HydrophobicContact CE-CD2 3.39Å; M271-L293 HydrophobicContact SD-CD1 4.29Å; M271-L293 HydrophobicContact SD-CD2 3.33Å; M271-L293 WeakPolarHBondContact SD-CD2 3.45Å; M271-L293 HydrophobicContact SD-CG 4.02Å |
| 272 | N | 69.3 | Low | 74 | Confident | 74 Ų | 74 | 42.7 Ų | 42.7 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69 | -33.6 | 175.1 | -71.6 | -20.7 | 0 | 0 | 0 | 111.9 | N223 I268 E269 F270 | N223-N272 PolarHBondContact ND2-OD1 3.41Å; I268-N272 WeakPolarHBondContact O-CB 3.47Å; I268-N272 PolarHBondContact O-N 3.49Å; I268-N272 PolarHBondContact O-ND2 2.97Å; E269-N272 PolarHBondContact O-N 3.4Å; F270-N272 PolarHBondContact O-N 2.87Å |
| 273 | A | 63.8 | Low | 73.8 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -79.2 | -17.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L145 Y149 E269 F270 M271 H275 | L145-A273 HydrophobicContact CB-CB 3.68Å; L145-A273 HydrophobicContact CD1-CB 4.16Å; L145-A273 HydrophobicContact CG-CB 4.5Å; Y149-A273 HydrophobicContact CD2-CB 3.85Å; Y149-A273 HydrophobicContact CE2-CB 4.27Å; E269-A273 VanDerWaalsContact O-CB 3.27Å; E269-A273 WeakPolarHBondContact O-CB 3.36Å; E269-A273 PolarHBondContact O-N 3.44Å; F270-A273 CarbonylContact O-C 3.57Å; F270-A273 PolarHBondContact O-N 3.27Å; M271-A273 VanDerWaalsContact C-N 3.34Å; A273-H275 PolarHBondContact O-CD2 2.91Å; A273-H275 PolarHBondContact O-N 3.47Å; A273-H275 VanDerWaalsContact O-N 3.09Å |
| 274 | F | 62.5 | Low | 73.9 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 23% | 0.232 | 22% | 0.219 | C | C | . | . | trans | -75 | 101.1 | -172.5 | -175 | -95.9 | 0 | 0 | 0 | 111.1 | F270 M271 G276 Y277 | F270-F274 HydrophobicContact CE1-CB 4.45Å; F270-F274 HydrophobicContact CE1-CD2 4.13Å; F270-F274 HydrophobicContact CE1-CG 4.49Å; F270-F274 HydrophobicContact CE2-CD2 4.25Å; F270-F274 AromaticContact CZ-CD2 3.61Å; F270-F274 HydrophobicContact CZ-CD2 3.61Å; F270-F274 HydrophobicContact CZ-CE2 4.23Å; F270-F274 HydrophobicContact CZ-CG 4.37Å; F270-F274 VanDerWaalsContact O-CB 3.32Å; F270-F274 WeakPolarHBondContact O-CB 3.41Å; F270-F274 PolarHBondContact O-N 2.85Å; M271-F274 PolarHBondContact O-N 3.42Å; F274-G276 VanDerWaalsContact CE1-O 3.28Å; F274-G276 WeakPolarHBondContact CE1-O 3.47Å; F274-Y277 WeakPolarHBondContact CE1-O 3.29Å; F274-Y277 VanDerWaalsContact CZ-O 3.28Å; F274-Y277 WeakPolarHBondContact CZ-O 3.37Å | ||
| 275 | H | 52.8 | Low | 74.2 | Confident | 97 Ų | 97 | 42.8 Ų | 42.8 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | trans | -96.7 | 12.3 | 172.3 | -60.3 | -69.1 | 0 | 0 | 0 | 113.4 | E142 R146 A273 | E142-H275 IonicContact OE2-CE1 3.1Å; E142-H275 PolarHBondContact OE2-CE1 3.5Å; E142-H275 IonicContact OE2-NE2 3.37Å; R146-H275 PolarHBondContact NE-CD2 3.12Å; R146-H275 PolarHBondContact NE-NE2 3.35Å; R146-H275 PolarHBondContact NH2-CE1 3.43Å; R146-H275 PolarHBondContact NH2-NE2 3.46Å; A273-H275 PolarHBondContact O-CD2 2.91Å; A273-H275 PolarHBondContact O-N 3.47Å; A273-H275 VanDerWaalsContact O-N 3.09Å | ||
| 276 | G | 51.6 | Low | 74.4 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -76.5 | 177.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | F274 P278 | F274-G276 VanDerWaalsContact CE1-O 3.28Å; F274-G276 WeakPolarHBondContact CE1-O 3.47Å; G276-P278 WeakPolarHBondContact O-CD 3.29Å |
| 277 | Y | 60.4 | Low | 74.6 | Confident | 122 Ų | 122 | 42.1 Ų | 42.1 | 48% | 0.478 | 22% | 0.224 | S | C | . | . | trans | -66.9 | 127.4 | 168.6 | -67.9 | -78.8 | 0 | 0 | 0 | 108.8 | A194 R195 F274 F279 | A194-Y277 HydrophobicContact CB-CD1 3.9Å; A194-Y277 HydrophobicContact CB-CE1 4.34Å; R195-Y277 HydrophobicContact CG-CD1 3.66Å; R195-Y277 HydrophobicContact CG-CE1 3.74Å; R195-Y277 HydrophobicContact CG-CG 4.25Å; R195-Y277 VanDerWaalsContact CZ-CD2 3.49Å; F274-Y277 WeakPolarHBondContact CE1-O 3.29Å; F274-Y277 VanDerWaalsContact CZ-O 3.28Å; F274-Y277 WeakPolarHBondContact CZ-O 3.37Å; Y277-F279 PolarHBondContact O-N 2.85Å | ||
| 278 | P | 65.2 | Low | 75 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 13% | 0.13 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -70.8 | 64.2 | -174.9 | 21.4 | -25.7 | 0 | 0 | 0 | 112.6 | K220 L221 G276 | K220-P278 HydrophobicContact CB-CG 4.44Å; K220-P278 HydrophobicContact CG-CG 4.36Å; L221-P278 HydrophobicContact CB-CB 3.85Å; L221-P278 HydrophobicContact CD1-CB 3.26Å; L221-P278 HydrophobicContact CG-CB 3.39Å; G276-P278 WeakPolarHBondContact O-CD 3.29Å |
| 279 | F | 75.9 | Confident | 75.2 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 10% | 0.101 | 26% | 0.257 | C | S | . | . | trans | -132.7 | 115.4 | -174.3 | -178.5 | -108.7 | 0 | 0 | 0 | 111.5 | E157 E218 Y277 N296 H298 K799 | E157-F279 VanDerWaalsContact OE1-CD1 3.23Å; E157-F279 WeakPolarHBondContact OE1-CD1 3.47Å; E157-F279 WeakPolarHBondContact OE1-CE1 3.23Å; E218-F279 HydrophobicContact CG-CD2 4.12Å; Y277-F279 PolarHBondContact O-N 2.85Å; F279-N296 HydrophobicContact CE2-CB 4.37Å; F279-N296 WeakPolarHBondContact CE2-OD1 3.33Å; F279-N296 WeakPolarHBondContact CZ-OD1 3.45Å; F279-H298 AromaticContact CD2-CE1 3.82Å; F279-H298 AromaticContact CE2-CE1 3.31Å; F279-H298 WeakPolarHBondContact CE2-CE1 3.28Å; F279-H298 AromaticContact CE2-NE2 3.35Å; F279-H298 WeakPolarHBondContact CE2-NE2 3.49Å; F279-K799 HydrophobicContact CE1-CB 4.16Å; F279-K799 HydrophobicContact CZ-CB 4.23Å; F279-K799 HydrophobicContact CZ-CD 4.43Å | ||
| 280 | K | 85.9 | Confident | 75.7 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -96.2 | 105.1 | 170.4 | 175.8 | 178.8 | 178.7 | 171.7 | 0 | 109.2 | K285 L290 A291 L293 T295 N296 | K280-K285 VanDerWaalsContact CE-CA 3.45Å; K280-K285 WeakPolarHBondContact CE-O 3.49Å; K280-K285 PolarHBondContact NZ-O 3.12Å; K280-L290 HydrophobicContact CD-CB 3.96Å; K280-L290 VanDerWaalsContact CD-O 3.3Å; K280-L290 WeakPolarHBondContact CD-O 3.42Å; K280-L290 WeakPolarHBondContact CE-O 3.5Å; K280-L290 HydrophobicContact CG-CB 4.18Å; K280-L290 HydrophobicContact CG-CD1 4.31Å; K280-L290 PolarHBondContact NZ-O 3.47Å; K280-A291 PolarHBondContact NZ-O 2.97Å; K280-L293 HydrophobicContact CB-CB 4Å; K280-L293 HydrophobicContact CB-CD1 4.42Å; K280-L293 HydrophobicContact CD-CB 3.9Å; K280-L293 VanDerWaalsContact CD-O 3.24Å; K280-L293 WeakPolarHBondContact CD-O 3.32Å; K280-L293 PolarHBondContact NZ-O 3.45Å; K280-T295 WeakPolarHBondContact CE-OG1 3.39Å; K280-T295 CarbonylContact O-C 3.52Å; K280-T295 WeakPolarHBondContact O-CA 3.4Å; K280-N296 PolarHBondContact O-N 2.93Å |
| 281 | S | 84.9 | Confident | 76.3 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 11% | 0.112 | 25% | 0.25 | C | C | . | . | trans | -69.2 | 160.8 | 176.6 | 82.7 | 0 | 0 | 0 | 0 | 111.6 | L283 S284 K285 | S281-L283 PolarHBondContact O-N 2.93Å; S281-L283 PolarHBondContact OG-N 3.39Å; S281-S284 PolarHBondContact N-OG 3.28Å; S281-S284 CarbonylContact O-C 3.5Å; S281-S284 PolarHBondContact O-N 2.84Å; S281-S284 VanDerWaalsContact O-N 3.13Å; S281-S284 PolarHBondContact O-OG 2.86Å; S281-S284 PolarHBondContact OG-N 3.48Å; S281-S284 PolarHBondContact OG-OG 3.32Å; S281-K285 PolarHBondContact O-N 3.38Å | ||
| 282 | S | 86.9 | Confident | 77.1 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.1 | 174.8 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | K285 N800 | S282-K285 WeakPolarHBondContact O-CD 3.17Å; S282-K285 WeakPolarHBondContact O-CG 3.4Å; S282-N800 WeakPolarHBondContact CA-OD1 3.44Å; S282-N800 WeakPolarHBondContact CB-OD1 3.15Å; S282-N800 PolarHBondContact N-OD1 3.16Å; S282-N800 PolarHBondContact OG-OD1 3.17Å |
| 283 | L | 84.6 | Confident | 78 | Confident | 128 Ų | 128 | 42.3 Ų | 42.3 | 67% | 0.67 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -30.8 | 173.1 | -64.9 | 176.9 | 0 | 0 | 0 | 111.7 | S281 N800 | S281-L283 PolarHBondContact O-N 2.93Å; S281-L283 PolarHBondContact OG-N 3.39Å; L283-N800 WeakPolarHBondContact CD1-O 3.46Å; L283-N800 WeakPolarHBondContact CG-O 3.45Å |
| 284 | S | 85.9 | Confident | 79.3 | Confident | 23 Ų | 23 | 42 Ų | 42 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -100.7 | 16.1 | 177.6 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | S281 D286 A287 L290 | S281-S284 PolarHBondContact N-OG 3.28Å; S281-S284 CarbonylContact O-C 3.5Å; S281-S284 PolarHBondContact O-N 2.84Å; S281-S284 VanDerWaalsContact O-N 3.13Å; S281-S284 PolarHBondContact O-OG 2.86Å; S281-S284 PolarHBondContact OG-N 3.48Å; S281-S284 PolarHBondContact OG-OG 3.32Å; S284-D286 PolarHBondContact O-N 3.05Å; S284-A287 WeakPolarHBondContact O-CB 3.39Å; S284-A287 PolarHBondContact O-N 2.76Å; S284-L290 WeakPolarHBondContact OG-CD1 3.43Å |
| 285 | K | 89.2 | Confident | 80.8 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34 | -176.8 | 72.7 | -170.5 | 176 | -154.9 | 0 | 112.8 | K280 S281 S282 A287 T295 Y321 | K280-K285 VanDerWaalsContact CE-CA 3.45Å; K280-K285 WeakPolarHBondContact CE-O 3.49Å; K280-K285 PolarHBondContact NZ-O 3.12Å; S281-K285 PolarHBondContact O-N 3.38Å; S282-K285 WeakPolarHBondContact O-CD 3.17Å; S282-K285 WeakPolarHBondContact O-CG 3.4Å; K285-A287 VanDerWaalsContact C-N 3.34Å; K285-T295 HydrophobicContact CB-CG2 3.98Å; K285-Y321 HydrophobicContact CB-CD1 4.32Å; K285-Y321 HydrophobicContact CB-CD2 4.31Å; K285-Y321 HydrophobicContact CB-CG 4.21Å; K285-Y321 HydrophobicContact CD-CD1 3.95Å; K285-Y321 HydrophobicContact CD-CE1 3.99Å; K285-Y321 HydrophobicContact CG-CD1 4.01Å; K285-Y321 HydrophobicContact CG-CE1 4.41Å; K285-Y321 HydrophobicContact CG-CG 4.23Å; K285-Y321 VanDerWaalsContact O-CB 3.22Å; K285-Y321 WeakPolarHBondContact O-CB 3.27Å |
| 286 | D | 87.6 | Confident | 82.7 | Confident | 89 Ų | 89 | 34.9 Ų | 34.9 | 48% | 0.476 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -1.5 | -179 | -51.6 | -55.5 | 0 | 0 | 0 | 112.4 | S284 T288 Y321 | S284-D286 PolarHBondContact O-N 3.05Å; D286-T288 PolarHBondContact O-N 2.94Å; D286-Y321 WeakPolarHBondContact OD1-CB 3.24Å |
| 287 | A | 86.3 | Confident | 84.7 | Confident | 26 Ų | 26 | 33.4 Ų | 33.4 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | trans | -70.4 | 122.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | S284 K285 E289 L290 A291 | S284-A287 WeakPolarHBondContact O-CB 3.39Å; S284-A287 PolarHBondContact O-N 2.76Å; K285-A287 VanDerWaalsContact C-N 3.34Å; A287-E289 VanDerWaalsContact C-N 3.3Å; A287-E289 PolarHBondContact O-N 2.71Å; A287-L290 HydrophobicContact CB-CB 4.41Å; A287-L290 HydrophobicContact CB-CD1 4.37Å; A287-L290 HydrophobicContact CB-CG 4.37Å; A287-L290 CarbonylContact O-C 3.32Å; A287-L290 PolarHBondContact O-N 3.04Å; A287-L290 VanDerWaalsContact O-N 3.16Å; A287-A291 PolarHBondContact O-N 3.31Å | ||
| 288 | T | 86.4 | Confident | 86.3 | Confident | 61 Ų | 61 | 27.6 Ų | 27.6 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -62.8 | -36 | -176.4 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | N267 D286 L290 A291 | N267-T288 PolarHBondContact OD1-O 2.96Å; N267-T288 VanDerWaalsContact OD1-O 3.11Å; D286-T288 PolarHBondContact O-N 2.94Å; T288-L290 PolarHBondContact O-N 3.35Å; T288-A291 WeakPolarHBondContact O-CB 3.49Å; T288-A291 PolarHBondContact O-N 3.37Å; T288-A291 VanDerWaalsContact O-N 3.15Å |
| 289 | E | 80.3 | Confident | 87.7 | Confident | 103 Ų | 103 | 26.8 Ų | 26.8 | 48% | 0.481 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -69.4 | -21.9 | -180 | -50.8 | 83.7 | 174 | 0 | 0 | 112.3 | N267 F270 A287 | N267-E289 PolarHBondContact OD1-O 2.96Å; F270-E289 WeakPolarHBondContact CD1-O 3.35Å; F270-E289 VanDerWaalsContact CE1-O 3.24Å; F270-E289 WeakPolarHBondContact CE1-O 3.47Å; A287-E289 VanDerWaalsContact C-N 3.3Å; A287-E289 PolarHBondContact O-N 2.71Å |
| 290 | L | 83.4 | Confident | 88.5 | Confident | 9 Ų | 9 | 25.7 Ų | 25.7 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -104.7 | 11.6 | 176.9 | -53.9 | 178.4 | 0 | 0 | 0 | 111.3 | F270 K280 S284 A287 T288 F292 L293 | F270-L290 HydrophobicContact CE1-CD2 3.65Å; F270-L290 HydrophobicContact CZ-CD2 3.76Å; K280-L290 HydrophobicContact CD-CB 3.96Å; K280-L290 VanDerWaalsContact CD-O 3.3Å; K280-L290 WeakPolarHBondContact CD-O 3.42Å; K280-L290 WeakPolarHBondContact CE-O 3.5Å; K280-L290 HydrophobicContact CG-CB 4.18Å; K280-L290 HydrophobicContact CG-CD1 4.31Å; K280-L290 PolarHBondContact NZ-O 3.47Å; S284-L290 WeakPolarHBondContact OG-CD1 3.43Å; A287-L290 HydrophobicContact CB-CB 4.41Å; A287-L290 HydrophobicContact CB-CD1 4.37Å; A287-L290 HydrophobicContact CB-CG 4.37Å; A287-L290 CarbonylContact O-C 3.32Å; A287-L290 PolarHBondContact O-N 3.04Å; A287-L290 VanDerWaalsContact O-N 3.16Å; T288-L290 PolarHBondContact O-N 3.35Å; L290-F292 VanDerWaalsContact C-N 3.25Å; L290-F292 PolarHBondContact O-N 3.48Å; L290-L293 HydrophobicContact CB-CD1 4.24Å; L290-L293 HydrophobicContact CD2-CD1 3.78Å; L290-L293 WeakPolarHBondContact O-CB 3.34Å; L290-L293 PolarHBondContact O-N 2.89Å; L290-L293 VanDerWaalsContact O-N 3.07Å |
| 291 | A | 88 | Confident | 88.8 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -40.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K280 A287 T288 L293 I535 Q539 | K280-A291 PolarHBondContact NZ-O 2.97Å; A287-A291 PolarHBondContact O-N 3.31Å; T288-A291 WeakPolarHBondContact O-CB 3.49Å; T288-A291 PolarHBondContact O-N 3.37Å; T288-A291 VanDerWaalsContact O-N 3.15Å; A291-L293 PolarHBondContact O-N 3.37Å; A291-I535 HydrophobicContact CB-CD1 4.04Å; A291-I535 HydrophobicContact CB-CG1 4.2Å; A291-I535 HydrophobicContact CB-CG2 4.44Å; A291-I535 VanDerWaalsContact O-CG2 3.25Å; A291-I535 WeakPolarHBondContact O-CG2 3.21Å; A291-Q539 PolarHBondContact O-NE2 3.17Å |
| 292 | F | 88.3 | Confident | 89.2 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.9 | -176.8 | -72.8 | -99.9 | 0 | 0 | 0 | 114.5 | T225 L264 N267 L290 A534 I535 S538 | T225-F292 HydrophobicContact CG2-CD1 3.73Å; T225-F292 HydrophobicContact CG2-CE1 3.9Å; L264-F292 HydrophobicContact CD2-CE1 4.02Å; L264-F292 HydrophobicContact CD2-CE2 4.36Å; L264-F292 HydrophobicContact CD2-CZ 3.38Å; N267-F292 HydrophobicContact CB-CD2 3.5Å; N267-F292 VanDerWaalsContact CB-CD2 3.5Å; N267-F292 HydrophobicContact CB-CE2 3.57Å; N267-F292 HydrophobicContact CB-CG 4.36Å; N267-F292 HydrophobicContact CB-CZ 4.47Å; N267-F292 VanDerWaalsContact CG-CE2 3.43Å; N267-F292 VanDerWaalsContact OD1-CD2 3.32Å; N267-F292 WeakPolarHBondContact OD1-CD2 3.47Å; L290-F292 VanDerWaalsContact C-N 3.25Å; L290-F292 PolarHBondContact O-N 3.48Å; F292-A534 HydrophobicContact CE1-CB 4Å; F292-A534 HydrophobicContact CZ-CB 4.37Å; F292-I535 HydrophobicContact CD2-CG1 4.14Å; F292-I535 HydrophobicContact CE1-CG1 4.06Å; F292-I535 HydrophobicContact CE2-CD1 4.44Å; F292-I535 HydrophobicContact CE2-CG1 3.62Å; F292-I535 HydrophobicContact CZ-CG1 3.53Å; F292-S538 PolarHBondContact O-OG 3.09Å |
| 293 | L | 87.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -88.8 | 136.9 | -178.5 | -53 | -173.3 | 0 | 0 | 0 | 111.2 | L221 M271 K280 L290 A291 T295 | L221-L293 HydrophobicContact CD1-CD1 3.7Å; L221-L293 HydrophobicContact CD1-CD2 3.28Å; L221-L293 HydrophobicContact CD1-CG 4Å; L221-L293 HydrophobicContact CD2-CD2 3.78Å; L221-L293 HydrophobicContact CG-CD2 4.06Å; M271-L293 HydrophobicContact CE-CD2 3.39Å; M271-L293 HydrophobicContact SD-CD1 4.29Å; M271-L293 HydrophobicContact SD-CD2 3.33Å; M271-L293 WeakPolarHBondContact SD-CD2 3.45Å; M271-L293 HydrophobicContact SD-CG 4.02Å; K280-L293 HydrophobicContact CB-CB 4Å; K280-L293 HydrophobicContact CB-CD1 4.42Å; K280-L293 HydrophobicContact CD-CB 3.9Å; K280-L293 VanDerWaalsContact CD-O 3.24Å; K280-L293 WeakPolarHBondContact CD-O 3.32Å; K280-L293 PolarHBondContact NZ-O 3.45Å; L290-L293 HydrophobicContact CB-CD1 4.24Å; L290-L293 HydrophobicContact CD2-CD1 3.78Å; L290-L293 WeakPolarHBondContact O-CB 3.34Å; L290-L293 PolarHBondContact O-N 2.89Å; L290-L293 VanDerWaalsContact O-N 3.07Å; A291-L293 PolarHBondContact O-N 3.37Å; L293-T295 PolarHBondContact O-N 2.93Å |
| 294 | P | 92.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.019 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 130 | 167.8 | 1.6 | 9 | 0 | 0 | 0 | 109.2 | N296 L297 Q539 T542 | P294-N296 PolarHBondContact O-N 3.34Å; P294-L297 HydrophobicContact CB-CB 4.12Å; P294-L297 HydrophobicContact CG-CB 4.3Å; P294-L297 HydrophobicContact CG-CD2 4.04Å; P294-Q539 HydrophobicContact CB-CB 4.2Å; P294-Q539 HydrophobicContact CG-CB 4.27Å; P294-T542 HydrophobicContact CG-CG2 4.32Å |
| 295 | T | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -67.6 | 131.9 | 176.3 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | K280 K285 L293 L297 C315 G316 | K280-T295 WeakPolarHBondContact CE-OG1 3.39Å; K280-T295 CarbonylContact O-C 3.52Å; K280-T295 WeakPolarHBondContact O-CA 3.4Å; K285-T295 HydrophobicContact CB-CG2 3.98Å; L293-T295 PolarHBondContact O-N 2.93Å; T295-L297 VanDerWaalsContact C-N 3.29Å; T295-L297 PolarHBondContact O-N 3.46Å; T295-C315 CarbonylContact O-C 3.51Å; T295-G316 PolarHBondContact O-N 2.86Å |
| 296 | N | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 40.6 | 175.9 | -72.4 | -32.8 | 0 | 0 | 0 | 114.7 | F279 K280 P294 H298 S752 N800 | F279-N296 HydrophobicContact CE2-CB 4.37Å; F279-N296 WeakPolarHBondContact CE2-OD1 3.33Å; F279-N296 WeakPolarHBondContact CZ-OD1 3.45Å; K280-N296 PolarHBondContact O-N 2.93Å; P294-N296 PolarHBondContact O-N 3.34Å; N296-H298 PolarHBondContact O-CD2 3.47Å; N296-H298 PolarHBondContact O-N 2.91Å; N296-S752 WeakPolarHBondContact CB-O 3.29Å; N296-S752 PolarHBondContact ND2-O 3.06Å; N296-N800 PolarHBondContact ND2-ND2 2.98Å; N296-N800 PolarHBondContact ND2-OD1 3.25Å; N296-N800 PolarHBondContact OD1-ND2 3.35Å; N296-N800 PolarHBondContact OD1-OD1 3.24Å; N296-N800 VanDerWaalsContact OD1-OD1 3.13Å |
| 297 | L | 93.9 | Very high | 87.1 | Confident | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | trans | -68.1 | 124.9 | 174.1 | -177.1 | 61.7 | 0 | 0 | 0 | 110.4 | P219 P294 T295 T314 C315 T542 | P219-L297 HydrophobicContact CB-CD2 4.05Å; P219-L297 HydrophobicContact CG-CD2 3.92Å; P219-L297 HydrophobicContact CG-CG 3.89Å; P294-L297 HydrophobicContact CB-CB 4.12Å; P294-L297 HydrophobicContact CG-CB 4.3Å; P294-L297 HydrophobicContact CG-CD2 4.04Å; T295-L297 VanDerWaalsContact C-N 3.29Å; T295-L297 PolarHBondContact O-N 3.46Å; L297-T314 CarbonylContact C-O 3.47Å; L297-T314 VanDerWaalsContact CA-O 3.28Å; L297-T314 WeakPolarHBondContact CA-O 3.45Å; L297-C315 HydrophobicContact CB-CB 4.49Å; L297-C315 HydrophobicContact CD1-CB 3.97Å; L297-T542 HydrophobicContact CD2-CG2 4.35Å | ||
| 298 | H | 93.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.5 | 175.6 | -63.5 | -64.8 | 0 | 0 | 0 | 111.3 | M216 A217 F279 N296 F313 T314 N796 | M216-H298 HydrophobicContact CG-CB 4.2Å; M216-H298 HydrophobicContact SD-CB 4.5Å; A217-H298 CarbonylContact O-C 3.6Å; A217-H298 VanDerWaalsContact O-CA 3.25Å; A217-H298 WeakPolarHBondContact O-CA 3.23Å; F279-H298 AromaticContact CD2-CE1 3.82Å; F279-H298 AromaticContact CE2-CE1 3.31Å; F279-H298 WeakPolarHBondContact CE2-CE1 3.28Å; F279-H298 AromaticContact CE2-NE2 3.35Å; F279-H298 WeakPolarHBondContact CE2-NE2 3.49Å; N296-H298 PolarHBondContact O-CD2 3.47Å; N296-H298 PolarHBondContact O-N 2.91Å; H298-F313 CarbonylContact O-C 3.57Å; H298-F313 VanDerWaalsContact O-CA 3.31Å; H298-F313 WeakPolarHBondContact O-CA 3.46Å; H298-T314 PolarHBondContact N-O 3.22Å; H298-T314 PolarHBondContact O-N 2.92Å; H298-N796 PolarHBondContact NE2-OD1 2.95Å |
| 299 | V | 94.2 | Very high | 86.9 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.2 | 156.2 | 62.9 | 0 | 0 | 0 | 0 | 108.1 | F193 M216 A217 Y312 F313 | F193-V299 HydrophobicContact CD1-CB 4.47Å; F193-V299 HydrophobicContact CD1-CG1 3.57Å; F193-V299 HydrophobicContact CD2-CG1 4.47Å; F193-V299 HydrophobicContact CE1-CB 4.08Å; F193-V299 HydrophobicContact CE1-CG1 3.58Å; F193-V299 HydrophobicContact CE2-CG1 4.45Å; F193-V299 HydrophobicContact CG-CG1 4.08Å; F193-V299 HydrophobicContact CZ-CG1 4.04Å; M216-V299 VanDerWaalsContact CA-O 3.29Å; M216-V299 WeakPolarHBondContact CA-O 3.39Å; A217-V299 HydrophobicContact CB-CG1 3.82Å; A217-V299 PolarHBondContact N-O 3.21Å; A217-V299 PolarHBondContact O-N 2.87Å; V299-Y312 CarbonylContact C-O 3.6Å; V299-Y312 WeakPolarHBondContact CA-O 3.4Å; V299-F313 HydrophobicContact CB-CD1 4.33Å; V299-F313 HydrophobicContact CB-CE1 3.85Å; V299-F313 HydrophobicContact CB-CZ 3.96Å; V299-F313 HydrophobicContact CG2-CE1 4.13Å; V299-F313 HydrophobicContact CG2-CE2 3.97Å; V299-F313 HydrophobicContact CG2-CZ 3.72Å |
| 300 | Q | 93.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.3 | 168.1 | -75.6 | 75.1 | 33.3 | 0 | 0 | 108.6 | H215 M216 D311 Y312 T314 V761 | H215-Q300 CarbonylContact O-C 3.59Å; H215-Q300 VanDerWaalsContact O-CA 3.24Å; H215-Q300 WeakPolarHBondContact O-CA 3.29Å; M216-Q300 HydrophobicContact CB-CG 4.33Å; M216-Q300 HydrophobicContact CG-CG 4.23Å; M216-Q300 VanDerWaalsContact CG-NE2 3.32Å; M216-Q300 PolarHBondContact SD-NE2 2.88Å; Q300-D311 CarbonylContact O-C 3.5Å; Q300-D311 WeakPolarHBondContact O-CA 3.35Å; Q300-Y312 HydrophobicContact CB-CD2 4.34Å; Q300-Y312 PolarHBondContact N-O 3.3Å; Q300-Y312 PolarHBondContact O-N 3.06Å; Q300-T314 PolarHBondContact NE2-OG1 3.4Å; Q300-T314 VanDerWaalsContact OE1-CG2 3.27Å; Q300-T314 PolarHBondContact OE1-OG1 3.26Å; Q300-V761 HydrophobicContact CB-CG1 4.49Å; Q300-V761 HydrophobicContact CG-CG1 4.5Å |
| 301 | S | 92.2 | Very high | 88 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.8 | -178.9 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | E214 H215 M310 D311 | E214-S301 CarbonylContact C-O 3.55Å; H215-S301 PolarHBondContact N-O 2.91Å; H215-S301 PolarHBondContact ND1-O 3.37Å; H215-S301 PolarHBondContact O-N 2.92Å; S301-M310 CarbonylContact C-O 3.55Å; S301-M310 WeakPolarHBondContact CA-O 3.48Å; S301-D311 WeakPolarHBondContact CB-OD1 3.41Å; S301-D311 PolarHBondContact OG-OD1 3.09Å |
| 302 | V | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.5 | 171.6 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | L212 C213 E214 K309 M310 E765 | L212-V302 HydrophobicContact CD1-CG1 3.16Å; L212-V302 HydrophobicContact CD2-CG1 4.14Å; L212-V302 HydrophobicContact CG-CG1 3.7Å; C213-V302 WeakPolarHBondContact O-CA 3.22Å; E214-V302 HydrophobicContact CG-CG2 4.23Å; V302-K309 CarbonylContact O-C 3.55Å; V302-K309 WeakPolarHBondContact O-CA 3.35Å; V302-M310 PolarHBondContact N-O 3.22Å; V302-M310 PolarHBondContact O-N 3.44Å; V302-E765 HydrophobicContact CG2-CB 4.31Å; V302-E765 HydrophobicContact CG2-CG 3.57Å; V302-E765 WeakPolarHBondContact CG2-OE1 3.37Å |
| 303 | R | 89 | Confident | 88.8 | Confident | 24 Ų | 24 | 24.7 Ų | 24.7 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.3 | 177.7 | -65.2 | -174.2 | -167.3 | 145.8 | 4.2 | 110.7 | L212 C213 C308 K309 | L212-R303 CarbonylContact C-O 3.6Å; C213-R303 PolarHBondContact N-O 3.01Å; C213-R303 PolarHBondContact O-N 3.43Å; R303-C308 WeakPolarHBondContact CA-O 3.48Å; R303-K309 HydrophobicContact CG-CB 4.13Å; R303-K309 HydrophobicContact CG-CD 4.34Å; R303-K309 HydrophobicContact CG-CG 3.86Å |
| 304 | C | 86.3 | Confident | 89.3 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 5% | 0.054 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 152.7 | 170.3 | -63 | 0 | 0 | 0 | 0 | 110.9 | V210 L212 D306 K307 C308 L772 Y773 | V210-C304 HydrophobicContact CG1-CB 4.46Å; L212-C304 VanDerWaalsContact CD1-SG 3.54Å; C304-D306 WeakPolarHBondContact CB-OD1 3.43Å; C304-D306 PolarHBondContact O-N 3.19Å; C304-D306 VanDerWaalsContact O-N 3.11Å; C304-K307 PolarHBondContact O-N 2.69Å; C304-K307 VanDerWaalsContact O-N 3.12Å; C304-C308 HydrophobicContact CB-CB 4.41Å; C304-C308 PolarHBondContact N-O 3.07Å; C304-L772 HydrophobicContact CB-CD2 4.43Å; C304-Y773 WeakPolarHBondContact CB-OH 3.26Å; C304-Y773 PolarHBondContact SG-OH 3.29Å; C304-Y773 VanDerWaalsContact SG-OH 3.37Å |
| 305 | S | 77.5 | Confident | 89.5 | Confident | 74 Ų | 74 | 24.4 Ų | 24.4 | 52% | 0.517 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -20.6 | 179.1 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | V211 | V211-S305 PolarHBondContact N-OG 3.33Å; V211-S305 PolarHBondContact O-N 3.42Å |
| 306 | D | 71.2 | Confident | 89.7 | Confident | 82 Ų | 82 | 24.4 Ų | 24.4 | 44% | 0.439 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 17.1 | 178.8 | 63.8 | -6.4 | 0 | 0 | 0 | 114.2 | C304 Y773 | C304-D306 WeakPolarHBondContact CB-OD1 3.43Å; C304-D306 PolarHBondContact O-N 3.19Å; C304-D306 VanDerWaalsContact O-N 3.11Å; D306-Y773 PolarHBondContact OD1-OH 3.27Å; D306-Y773 WeakPolarHBondContact OD2-CE1 3.5Å; D306-Y773 PolarHBondContact OD2-OH 3.36Å |
| 307 | K | 67.1 | Low | 89.9 | Confident | 190 Ų | 190 | 24.4 Ų | 24.4 | 83% | 0.826 | 13% | 0.128 | S | C | * | . | S | Bend | trans | 82.6 | -1.6 | 174.7 | -55.7 | -173.8 | 176.9 | -176.5 | 0 | 117.5 | C304 K309 | C304-K307 PolarHBondContact O-N 2.69Å; C304-K307 VanDerWaalsContact O-N 3.12Å; K307-K309 PolarHBondContact O-N 3.07Å |
| 308 | C | 80.8 | Confident | 90.1 | Very high | 46 Ų | 46 | 24.1 Ų | 24.1 | 31% | 0.311 | 13% | 0.126 | S | C | . | . | trans | -68.9 | 123.4 | 172.7 | -70.2 | 0 | 0 | 0 | 0 | 111.2 | R303 C304 F768 L772 | R303-C308 WeakPolarHBondContact CA-O 3.48Å; C304-C308 HydrophobicContact CB-CB 4.41Å; C304-C308 PolarHBondContact N-O 3.07Å; C308-F768 HydrophobicContact CB-CZ 4.23Å; C308-L772 HydrophobicContact CB-CD1 4.45Å; C308-L772 HydrophobicContact CB-CD2 3.6Å | ||
| 309 | K | 87.6 | Confident | 90.2 | Very high | 39 Ų | 39 | 24.1 Ų | 24.1 | 17% | 0.17 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.6 | 179 | 178.3 | -177.8 | 176.4 | -144.8 | 0 | 110.4 | V302 R303 K307 D311 M554 | V302-K309 CarbonylContact O-C 3.55Å; V302-K309 WeakPolarHBondContact O-CA 3.35Å; R303-K309 HydrophobicContact CG-CB 4.13Å; R303-K309 HydrophobicContact CG-CD 4.34Å; R303-K309 HydrophobicContact CG-CG 3.86Å; K307-K309 PolarHBondContact O-N 3.07Å; K309-D311 WeakPolarHBondContact CE-OD1 3.42Å; K309-D311 WeakPolarHBondContact CE-OD2 3.34Å; K309-D311 IonicContact NZ-OD1 3.19Å; K309-D311 IonicContact NZ-OD2 3.27Å; K309-D311 PolarHBondContact NZ-OD2 3.26Å; K309-M554 PolarHBondContact NZ-O 3.28Å |
| 310 | M | 92.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 3% | 0.034 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 128.7 | 173.1 | -175.6 | 172.4 | 57.5 | 0 | 0 | 110.8 | S301 V302 Y312 R740 E765 F768 | S301-M310 CarbonylContact C-O 3.55Å; S301-M310 WeakPolarHBondContact CA-O 3.48Å; V302-M310 PolarHBondContact N-O 3.22Å; V302-M310 PolarHBondContact O-N 3.44Å; M310-Y312 HydrophobicContact CE-CE2 3.68Å; M310-Y312 WeakPolarHBondContact CE-OH 3.29Å; M310-Y312 HydrophobicContact CG-CE2 4.19Å; M310-Y312 HydrophobicContact SD-CE2 4.39Å; M310-R740 PolarHBondContact SD-NH1 3.16Å; M310-E765 HydrophobicContact CE-CG 4.47Å; M310-F768 HydrophobicContact CB-CD1 4.43Å; M310-F768 HydrophobicContact CB-CE1 4.14Å; M310-F768 HydrophobicContact CB-CE2 4.33Å; M310-F768 HydrophobicContact CB-CZ 4.09Å; M310-F768 HydrophobicContact CE-CB 3.24Å; M310-F768 HydrophobicContact CE-CD1 3.45Å; M310-F768 VanDerWaalsContact CE-CD1 3.45Å; M310-F768 HydrophobicContact CE-CD2 3.88Å; M310-F768 HydrophobicContact CE-CE1 4.21Å; M310-F768 HydrophobicContact CE-CG 3.24Å; M310-F768 HydrophobicContact SD-CB 3.83Å; M310-F768 HydrophobicContact SD-CD1 4.21Å; M310-F768 HydrophobicContact SD-CD2 3.56Å; M310-F768 VanDerWaalsContact SD-CD2 3.56Å; M310-F768 HydrophobicContact SD-CE2 4.12Å; M310-F768 HydrophobicContact SD-CG 3.6Å; M310-F768 VanDerWaalsContact SD-CG 3.6Å |
| 311 | D | 94.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 24.4 Ų | 24.4 | 11% | 0.112 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 147.9 | -179.1 | -66.8 | -30.5 | 0 | 0 | 0 | 111.7 | Q300 S301 K309 N550 | Q300-D311 CarbonylContact O-C 3.5Å; Q300-D311 WeakPolarHBondContact O-CA 3.35Å; S301-D311 WeakPolarHBondContact CB-OD1 3.41Å; S301-D311 PolarHBondContact OG-OD1 3.09Å; K309-D311 WeakPolarHBondContact CE-OD1 3.42Å; K309-D311 WeakPolarHBondContact CE-OD2 3.34Å; K309-D311 IonicContact NZ-OD1 3.19Å; K309-D311 IonicContact NZ-OD2 3.27Å; K309-D311 PolarHBondContact NZ-OD2 3.26Å; D311-N550 PolarHBondContact OD2-ND2 3.48Å |
| 312 | Y | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.1 | 169.8 | -54.7 | -101.7 | 0 | 0 | 0 | 108.9 | V299 Q300 M310 V746 I748 V761 D764 E765 | V299-Y312 CarbonylContact C-O 3.6Å; V299-Y312 WeakPolarHBondContact CA-O 3.4Å; Q300-Y312 HydrophobicContact CB-CD2 4.34Å; Q300-Y312 PolarHBondContact N-O 3.3Å; Q300-Y312 PolarHBondContact O-N 3.06Å; M310-Y312 HydrophobicContact CE-CE2 3.68Å; M310-Y312 WeakPolarHBondContact CE-OH 3.29Å; M310-Y312 HydrophobicContact CG-CE2 4.19Å; M310-Y312 HydrophobicContact SD-CE2 4.39Å; Y312-V746 HydrophobicContact CD1-CG1 4.39Å; Y312-I748 HydrophobicContact CD1-CD1 3.87Å; Y312-I748 HydrophobicContact CE1-CD1 4.34Å; Y312-V761 HydrophobicContact CD1-CG2 4.29Å; Y312-V761 HydrophobicContact CD2-CG1 4.35Å; Y312-V761 HydrophobicContact CE2-CG1 4.45Å; Y312-V761 HydrophobicContact CG-CG2 4.41Å; Y312-D764 HydrophobicContact CE1-CB 3.95Å; Y312-D764 WeakPolarHBondContact CE1-OD2 3.14Å; Y312-D764 VanDerWaalsContact OH-C 3.25Å; Y312-D764 WeakPolarHBondContact OH-CB 3.39Å; Y312-D764 PolarHBondContact OH-OD2 3.09Å; Y312-E765 HydrophobicContact CE2-CG 3.61Å; Y312-E765 PolarHBondContact OH-N 3.13Å; Y312-E765 VanDerWaalsContact OH-N 3.12Å |
| 313 | F | 97.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.7 | 162.1 | -75.9 | -99.5 | 0 | 0 | 0 | 108.6 | P219 H298 V299 S546 V547 N550 V746 V747 I748 | P219-F313 HydrophobicContact CG-CE1 4.18Å; H298-F313 CarbonylContact O-C 3.57Å; H298-F313 VanDerWaalsContact O-CA 3.31Å; H298-F313 WeakPolarHBondContact O-CA 3.46Å; V299-F313 HydrophobicContact CB-CD1 4.33Å; V299-F313 HydrophobicContact CB-CE1 3.85Å; V299-F313 HydrophobicContact CB-CZ 3.96Å; V299-F313 HydrophobicContact CG2-CE1 4.13Å; V299-F313 HydrophobicContact CG2-CE2 3.97Å; V299-F313 HydrophobicContact CG2-CZ 3.72Å; F313-S546 WeakPolarHBondContact CZ-O 3.27Å; F313-V547 HydrophobicContact CB-CG2 4.11Å; F313-V547 HydrophobicContact CD1-CG2 4.03Å; F313-V547 HydrophobicContact CD2-CB 4.28Å; F313-V547 HydrophobicContact CD2-CG2 3.46Å; F313-V547 VanDerWaalsContact CD2-CG2 3.46Å; F313-V547 HydrophobicContact CE1-CG2 4.36Å; F313-V547 HydrophobicContact CE2-CB 4.19Å; F313-V547 HydrophobicContact CE2-CG1 4.49Å; F313-V547 HydrophobicContact CE2-CG2 3.85Å; F313-V547 HydrophobicContact CG-CG2 3.56Å; F313-V547 HydrophobicContact CZ-CG2 4.28Å; F313-N550 HydrophobicContact CE2-CB 4.08Å; F313-N550 HydrophobicContact CZ-CB 3.6Å; F313-V746 PolarHBondContact N-O 3.14Å; F313-V747 HydrophobicContact CB-CB 4.45Å; F313-V747 HydrophobicContact CB-CG1 4.4Å; F313-V747 HydrophobicContact CB-CG2 4.03Å; F313-V747 CarbonylContact O-C 3.57Å; F313-V747 WeakPolarHBondContact O-CA 3.37Å; F313-I748 PolarHBondContact O-N 3.41Å |
| 314 | T | 97.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.8 | 174.8 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | L297 H298 Q300 I748 V761 R793 | L297-T314 CarbonylContact C-O 3.47Å; L297-T314 VanDerWaalsContact CA-O 3.28Å; L297-T314 WeakPolarHBondContact CA-O 3.45Å; H298-T314 PolarHBondContact N-O 3.22Å; H298-T314 PolarHBondContact O-N 2.92Å; Q300-T314 PolarHBondContact NE2-OG1 3.4Å; Q300-T314 VanDerWaalsContact OE1-CG2 3.27Å; Q300-T314 PolarHBondContact OE1-OG1 3.26Å; T314-I748 VanDerWaalsContact CA-O 3.28Å; T314-I748 WeakPolarHBondContact CA-O 3.49Å; T314-I748 HydrophobicContact CG2-CB 4.22Å; T314-V761 HydrophobicContact CG2-CG2 3.47Å; T314-V761 VanDerWaalsContact CG2-CG2 3.47Å; T314-R793 PolarHBondContact OG1-NH1 2.98Å |
| 315 | C | 96.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 170.1 | 176.8 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | T295 L297 F318 I748 C749 C750 G753 | T295-C315 CarbonylContact O-C 3.51Å; L297-C315 HydrophobicContact CB-CB 4.49Å; L297-C315 HydrophobicContact CD1-CB 3.97Å; C315-F318 WeakPolarHBondContact SG-CE1 3.46Å; C315-I748 PolarHBondContact N-O 2.76Å; C315-I748 VanDerWaalsContact N-O 3.08Å; C315-C749 WeakPolarHBondContact O-CA 3.38Å; C315-C749 WeakPolarHBondContact O-CB 3.42Å; C315-C750 PolarHBondContact O-N 2.91Å; C315-G753 WeakPolarHBondContact O-CA 3.14Å |
| 316 | G | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 165 | 161 | 0 | 0 | 0 | 0 | 0 | 111 | T295 C750 | T295-G316 PolarHBondContact O-N 2.86Å; G316-C750 CarbonylContact C-O 3.32Å; G316-C750 VanDerWaalsContact CA-O 3.28Å; G316-C750 WeakPolarHBondContact CA-O 3.43Å |
| 317 | A | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -56.6 | 141.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T319 Y321 L580 M589 C750 | A317-T319 HydrophobicContact CB-CG2 4.23Å; A317-T319 PolarHBondContact O-N 3.2Å; A317-T319 VanDerWaalsContact O-N 3.09Å; A317-Y321 PolarHBondContact N-OH 2.89Å; A317-Y321 PolarHBondContact O-OH 3.46Å; A317-L580 HydrophobicContact CB-CD1 3.84Å; A317-L580 HydrophobicContact CB-CD2 4.27Å; A317-L580 HydrophobicContact CB-CG 4.47Å; A317-M589 HydrophobicContact CB-CB 4.21Å; A317-M589 HydrophobicContact CB-SD 4.43Å; A317-C750 PolarHBondContact N-O 2.88Å | ||
| 318 | F | 96.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -71.6 | 107 | 168.9 | -46 | -43.9 | 0 | 0 | 0 | 106.9 | C315 V536 Q539 A540 S543 L576 D592 L593 | C315-F318 WeakPolarHBondContact SG-CE1 3.46Å; F318-V536 VanDerWaalsContact C-CG1 3.48Å; F318-V536 HydrophobicContact CB-CG1 3.53Å; F318-V536 WeakPolarHBondContact O-CG1 3.37Å; F318-Q539 VanDerWaalsContact CA-OE1 3.22Å; F318-Q539 HydrophobicContact CB-CB 4.34Å; F318-Q539 HydrophobicContact CD1-CB 3.9Å; F318-Q539 HydrophobicContact CG-CB 4.44Å; F318-A540 HydrophobicContact CB-CB 4.43Å; F318-A540 HydrophobicContact CD2-CB 3.59Å; F318-A540 HydrophobicContact CE2-CB 3.91Å; F318-A540 HydrophobicContact CG-CB 3.94Å; F318-S543 VanDerWaalsContact CE1-OG 3.23Å; F318-S543 WeakPolarHBondContact CE1-OG 3.36Å; F318-L576 HydrophobicContact CD2-CD2 4.46Å; F318-L576 HydrophobicContact CE2-CD1 4.29Å; F318-L576 HydrophobicContact CE2-CD2 3.98Å; F318-D592 WeakPolarHBondContact O-CB 3.48Å; F318-L593 HydrophobicContact CB-CD2 3.8Å; F318-L593 HydrophobicContact CD2-CD2 3.53Å; F318-L593 HydrophobicContact CE2-CD2 4.35Å; F318-L593 HydrophobicContact CG-CD2 3.87Å |
| 319 | T | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -162.7 | 155.8 | -177.1 | -180 | 0 | 0 | 0 | 0 | 110.6 | A317 Y321 Y325 R532 Q539 M589 D592 | A317-T319 HydrophobicContact CB-CG2 4.23Å; A317-T319 PolarHBondContact O-N 3.2Å; A317-T319 VanDerWaalsContact O-N 3.09Å; T319-Y321 HydrophobicContact CG2-CD1 4.01Å; T319-Y321 HydrophobicContact CG2-CD2 3.66Å; T319-Y321 HydrophobicContact CG2-CE1 3.67Å; T319-Y321 HydrophobicContact CG2-CE2 3.27Å; T319-Y321 HydrophobicContact CG2-CG 4Å; T319-Y321 WeakPolarHBondContact O-CD2 3.29Å; T319-Y321 PolarHBondContact O-N 3.4Å; T319-Y325 VanDerWaalsContact CG2-OH 3.29Å; T319-Y325 WeakPolarHBondContact CG2-OH 3.38Å; T319-Y325 VanDerWaalsContact OG1-CE1 3.24Å; T319-Y325 WeakPolarHBondContact OG1-CE1 3.39Å; T319-Y325 PolarHBondContact OG1-OH 3.32Å; T319-R532 PolarHBondContact OG1-NH2 2.82Å; T319-R532 VanDerWaalsContact OG1-NH2 3.16Å; T319-Q539 PolarHBondContact O-NE2 3.41Å; T319-Q539 PolarHBondContact O-OE1 3.37Å; T319-M589 HydrophobicContact CG2-CG 3.91Å; T319-M589 HydrophobicContact CG2-SD 4.3Å; T319-D592 WeakPolarHBondContact CA-OD2 3.27Å; T319-D592 WeakPolarHBondContact CB-OD2 3.27Å; T319-D592 PolarHBondContact OG1-OD2 3.5Å |
| 320 | A | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -91.5 | 75.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S322 E323 R532 I535 | A320-S322 VanDerWaalsContact C-N 3.29Å; A320-S322 PolarHBondContact O-N 3.02Å; A320-E323 HydrophobicContact CB-CB 4.04Å; A320-E323 HydrophobicContact CB-CG 3.66Å; A320-E323 PolarHBondContact O-N 3.24Å; A320-R532 HydrophobicContact CB-CG 3.83Å; A320-I535 HydrophobicContact CB-CB 4.17Å; A320-I535 HydrophobicContact CB-CD1 3.96Å; A320-I535 HydrophobicContact CB-CG2 3.84Å | ||
| 321 | Y | 94.2 | Very high | 94.6 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 4% | 0.043 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -51.2 | -44.5 | -180 | -65.4 | -86 | 0 | 0 | 0 | 113.5 | K285 D286 A317 T319 E323 G324 M589 K751 | K285-Y321 HydrophobicContact CB-CD1 4.32Å; K285-Y321 HydrophobicContact CB-CD2 4.31Å; K285-Y321 HydrophobicContact CB-CG 4.21Å; K285-Y321 HydrophobicContact CD-CD1 3.95Å; K285-Y321 HydrophobicContact CD-CE1 3.99Å; K285-Y321 HydrophobicContact CG-CD1 4.01Å; K285-Y321 HydrophobicContact CG-CE1 4.41Å; K285-Y321 HydrophobicContact CG-CG 4.23Å; K285-Y321 VanDerWaalsContact O-CB 3.22Å; K285-Y321 WeakPolarHBondContact O-CB 3.27Å; D286-Y321 WeakPolarHBondContact OD1-CB 3.24Å; A317-Y321 PolarHBondContact N-OH 2.89Å; A317-Y321 PolarHBondContact O-OH 3.46Å; T319-Y321 HydrophobicContact CG2-CD1 4.01Å; T319-Y321 HydrophobicContact CG2-CD2 3.66Å; T319-Y321 HydrophobicContact CG2-CE1 3.67Å; T319-Y321 HydrophobicContact CG2-CE2 3.27Å; T319-Y321 HydrophobicContact CG2-CG 4Å; T319-Y321 WeakPolarHBondContact O-CD2 3.29Å; T319-Y321 PolarHBondContact O-N 3.4Å; Y321-E323 PolarHBondContact O-N 3.47Å; Y321-G324 PolarHBondContact O-N 2.94Å; Y321-M589 HydrophobicContact CE1-CE 4.5Å; Y321-M589 HydrophobicContact CE1-SD 4.46Å; Y321-K751 WeakPolarHBondContact CE1-O 3.43Å; Y321-K751 PolarHBondContact OH-O 3.31Å |
| 322 | S | 91.5 | Very high | 94.4 | Very high | 33 Ų | 33 | 22.7 Ų | 22.7 | 23% | 0.231 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -64.1 | -21.2 | 180 | 59 | 0 | 0 | 0 | 0 | 113.9 | A320 | A320-S322 VanDerWaalsContact C-N 3.29Å; A320-S322 PolarHBondContact O-N 3.02Å |
| 323 | E | 91.8 | Very high | 94.4 | Very high | 49 Ų | 49 | 23 Ų | 23 | 23% | 0.229 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -90.3 | -6.7 | -178.1 | -53.8 | -49.8 | 109.1 | 0 | 0 | 113.1 | K263 A320 Y321 I535 | K263-E323 IonicContact NZ-OE1 3.53Å; K263-E323 PolarHBondContact NZ-OE1 2.87Å; K263-E323 IonicContact NZ-OE2 3.12Å; K263-E323 PolarHBondContact NZ-OE2 3.38Å; A320-E323 HydrophobicContact CB-CB 4.04Å; A320-E323 HydrophobicContact CB-CG 3.66Å; A320-E323 PolarHBondContact O-N 3.24Å; Y321-E323 PolarHBondContact O-N 3.47Å; E323-I535 HydrophobicContact CG-CD1 4.02Å |
| 324 | G | 92.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 25.6 Ų | 25.6 | 26% | 0.258 | 14% | 0.14 | S | C | . | . | trans | 65.2 | -164.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y321 R532 | Y321-G324 PolarHBondContact O-N 2.94Å; G324-R532 PolarHBondContact O-NH1 2.84Å | ||
| 325 | Y | 94.3 | Very high | 93.9 | Very high | 33 Ų | 33 | 28.4 Ų | 28.4 | 13% | 0.129 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -141.8 | 18.6 | -172.6 | -53.1 | -89.2 | 0 | 0 | 0 | 113.8 | T319 Q327 G328 Y588 M589 | T319-Y325 VanDerWaalsContact CG2-OH 3.29Å; T319-Y325 WeakPolarHBondContact CG2-OH 3.38Å; T319-Y325 VanDerWaalsContact OG1-CE1 3.24Å; T319-Y325 WeakPolarHBondContact OG1-CE1 3.39Å; T319-Y325 PolarHBondContact OG1-OH 3.32Å; Y325-Q327 PolarHBondContact O-N 3.04Å; Y325-Q327 VanDerWaalsContact O-N 3.1Å; Y325-G328 PolarHBondContact O-N 2.9Å; Y325-Y588 VanDerWaalsContact CB-CD2 3.47Å; Y325-Y588 VanDerWaalsContact CD1-CB 3.48Å; Y325-Y588 HydrophobicContact CD1-CD2 4.33Å; Y325-Y588 HydrophobicContact CD1-CG 4.37Å; Y325-Y588 HydrophobicContact CG-CD2 4.15Å; Y325-M589 HydrophobicContact CE1-CE 4.4Å; Y325-M589 HydrophobicContact CE1-CG 3.7Å; Y325-M589 HydrophobicContact CE2-CE 3.99Å; Y325-M589 WeakPolarHBondContact OH-CE 3.38Å; Y325-M589 WeakPolarHBondContact OH-CG 3.36Å |
| 326 | D | 89.6 | Confident | 93.6 | Very high | 148 Ų | 148 | 32.2 Ų | 32.2 | 79% | 0.791 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.7 | -177.3 | -55 | -26 | 0 | 0 | 0 | 112.8 | ||
| 327 | Q | 87.7 | Confident | 93.4 | Very high | 49 Ų | 49 | 32.4 Ų | 32.4 | 23% | 0.229 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 7.8 | 178.2 | -57.9 | -70.3 | -46.3 | 0 | 0 | 112.8 | Y325 M333 | Y325-Q327 PolarHBondContact O-N 3.04Å; Y325-Q327 VanDerWaalsContact O-N 3.1Å; Q327-M333 HydrophobicContact CB-CE 4.48Å; Q327-M333 HydrophobicContact CB-CG 3.94Å; Q327-M333 HydrophobicContact CB-SD 4.43Å; Q327-M333 VanDerWaalsContact O-CG 3.27Å; Q327-M333 WeakPolarHBondContact O-CG 3.31Å |
| 328 | G | 92.9 | Very high | 93 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | trans | 82.5 | -166.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y325 Y588 | Y325-G328 PolarHBondContact O-N 2.9Å; G328-Y588 VanDerWaalsContact CA-CD1 3.46Å | ||
| 329 | G | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -92.7 | -171.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R331 G332 M333 Y588 E591 D592 | G329-R331 VanDerWaalsContact C-N 3.34Å; G329-R331 PolarHBondContact O-N 2.93Å; G329-G332 PolarHBondContact O-N 3.38Å; G329-M333 WeakPolarHBondContact O-CB 3.31Å; G329-M333 VanDerWaalsContact O-CG 3.27Å; G329-M333 WeakPolarHBondContact O-CG 3.45Å; G329-M333 PolarHBondContact O-N 3.48Å; G329-Y588 WeakPolarHBondContact CA-O 3.3Å; G329-E591 WeakPolarHBondContact CA-OE2 3.38Å; G329-E591 PolarHBondContact N-OE2 3.18Å; G329-D592 WeakPolarHBondContact CA-OD1 3.48Å |
| 330 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53 | -46.7 | -176.1 | -72.9 | 175.5 | 0 | 0 | 0 | 112.8 | M333 V334 L529 R532 Y533 V536 D592 E595 M596 | L330-M333 PolarHBondContact O-N 3.1Å; L330-V334 VanDerWaalsContact O-CG2 3.27Å; L330-V334 WeakPolarHBondContact O-CG2 3.46Å; L330-V334 PolarHBondContact O-N 3.32Å; L330-L529 HydrophobicContact CD2-CD1 3.61Å; L330-R532 HydrophobicContact CD2-CB 3.95Å; L330-R532 HydrophobicContact CD2-CG 3.72Å; L330-R532 HydrophobicContact CG-CG 4.19Å; L330-Y533 HydrophobicContact CD1-CD1 4.17Å; L330-Y533 HydrophobicContact CD1-CE1 4.1Å; L330-Y533 HydrophobicContact CD1-CG 4.44Å; L330-Y533 HydrophobicContact CD2-CD1 4.48Å; L330-Y533 HydrophobicContact CD2-CD2 3.6Å; L330-Y533 HydrophobicContact CD2-CE2 3.76Å; L330-Y533 HydrophobicContact CD2-CG 3.99Å; L330-V536 HydrophobicContact CD1-CB 4.5Å; L330-V536 HydrophobicContact CD1-CG2 4.42Å; L330-D592 HydrophobicContact CD1-CB 4.45Å; L330-D592 WeakPolarHBondContact CG-OD1 2.92Å; L330-D592 PolarHBondContact N-OD1 3.42Å; L330-E595 HydrophobicContact CB-CB 4.04Å; L330-E595 HydrophobicContact CB-CG 3.8Å; L330-E595 HydrophobicContact CD1-CB 3.93Å; L330-M596 HydrophobicContact CD1-CE 3.36Å |
| 331 | R | 93.1 | Very high | 91.9 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 36% | 0.362 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 179.4 | -172.7 | 178.4 | 175.7 | 173.4 | 0.9 | 111.8 | G329 V334 S335 E591 E595 E682 | G329-R331 VanDerWaalsContact C-N 3.34Å; G329-R331 PolarHBondContact O-N 2.93Å; R331-V334 PolarHBondContact O-N 3.17Å; R331-S335 PolarHBondContact O-N 3.21Å; R331-S335 VanDerWaalsContact O-N 3.13Å; R331-E591 HydrophobicContact CB-CB 3.9Å; R331-E591 HydrophobicContact CB-CG 4.02Å; R331-E595 HydrophobicContact CB-CG 4.41Å; R331-E682 IonicContact CZ-OE1 3.76Å; R331-E682 IonicContact NH1-OE1 2.84Å; R331-E682 PolarHBondContact NH1-OE1 2.87Å; R331-E682 IonicContact NH1-OE2 3.89Å; R331-E682 IonicContact NH2-OE1 3.82Å; R331-E682 PolarHBondContact NH2-OE1 3.09Å; R331-E682 VanDerWaalsContact NH2-OE1 3.09Å; R331-E682 IonicContact NH2-OE2 2.85Å |
| 332 | G | 92.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G329 S335 R336 E591 | G329-G332 PolarHBondContact O-N 3.38Å; G332-S335 PolarHBondContact O-N 2.74Å; G332-R336 PolarHBondContact O-N 3.15Å; G332-E591 PolarHBondContact N-OE2 3.34Å; G332-E591 VanDerWaalsContact N-OE2 3.11Å |
| 333 | M | 95.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 176.4 | -71.1 | 179.8 | 73.6 | 0 | 0 | 112.2 | Q327 G329 L330 R336 L337 K528 L529 | Q327-M333 HydrophobicContact CB-CE 4.48Å; Q327-M333 HydrophobicContact CB-CG 3.94Å; Q327-M333 HydrophobicContact CB-SD 4.43Å; Q327-M333 VanDerWaalsContact O-CG 3.27Å; Q327-M333 WeakPolarHBondContact O-CG 3.31Å; G329-M333 WeakPolarHBondContact O-CB 3.31Å; G329-M333 VanDerWaalsContact O-CG 3.27Å; G329-M333 WeakPolarHBondContact O-CG 3.45Å; G329-M333 PolarHBondContact O-N 3.48Å; L330-M333 PolarHBondContact O-N 3.1Å; M333-R336 PolarHBondContact O-N 3.49Å; M333-L337 VanDerWaalsContact O-CB 3.24Å; M333-L337 WeakPolarHBondContact O-CB 3.31Å; M333-L337 PolarHBondContact O-N 3.33Å; M333-K528 HydrophobicContact CE-CB 3.87Å; M333-L529 HydrophobicContact CB-CD1 3.7Å; M333-L529 HydrophobicContact CE-CB 4.01Å; M333-L529 HydrophobicContact CE-CD1 4.38Å; M333-L529 HydrophobicContact SD-CD1 4.34Å |
| 334 | V | 94 | Very high | 90.4 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 34% | 0.339 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.9 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | L330 R331 L337 S338 L529 | L330-V334 VanDerWaalsContact O-CG2 3.27Å; L330-V334 WeakPolarHBondContact O-CG2 3.46Å; L330-V334 PolarHBondContact O-N 3.32Å; R331-V334 PolarHBondContact O-N 3.17Å; V334-L337 PolarHBondContact O-N 3.42Å; V334-S338 PolarHBondContact O-N 3.08Å; V334-L529 HydrophobicContact CG2-CD1 4.05Å; V334-L529 HydrophobicContact CG2-CD2 3.82Å |
| 335 | S | 91.2 | Very high | 89.7 | Confident | 59 Ų | 59 | 54 Ų | 54 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.3 | -51 | 176.5 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | R331 G332 L337 S338 E339 | R331-S335 PolarHBondContact O-N 3.21Å; R331-S335 VanDerWaalsContact O-N 3.13Å; G332-S335 PolarHBondContact O-N 2.74Å; S335-L337 VanDerWaalsContact C-N 3.3Å; S335-L337 PolarHBondContact O-N 2.98Å; S335-S338 WeakPolarHBondContact O-CB 3.26Å; S335-S338 PolarHBondContact O-N 2.88Å; S335-S338 VanDerWaalsContact O-N 3.1Å; S335-S338 PolarHBondContact O-OG 2.97Å; S335-E339 PolarHBondContact O-N 2.85Å; S335-E339 VanDerWaalsContact O-N 3.1Å; S335-E339 PolarHBondContact OG-OE1 2.86Å |
| 336 | R | 90.5 | Very high | 89.1 | Confident | 80 Ų | 80 | 52.9 Ų | 52.9 | 30% | 0.302 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 178.8 | -174.7 | 178.5 | -57.4 | -168.5 | 0.8 | 112.6 | G332 M333 S338 E339 N340 | G332-R336 PolarHBondContact O-N 3.15Å; M333-R336 PolarHBondContact O-N 3.49Å; R336-S338 VanDerWaalsContact C-N 3.34Å; R336-E339 PolarHBondContact O-N 3.42Å; R336-N340 PolarHBondContact O-N 3.28Å |
| 337 | L | 92.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 176.7 | -177.1 | 63.1 | 0 | 0 | 0 | 110.9 | M333 V334 S335 E339 N340 T341 C349 L517 T525 F526 L529 | M333-L337 VanDerWaalsContact O-CB 3.24Å; M333-L337 WeakPolarHBondContact O-CB 3.31Å; M333-L337 PolarHBondContact O-N 3.33Å; V334-L337 PolarHBondContact O-N 3.42Å; S335-L337 VanDerWaalsContact C-N 3.3Å; S335-L337 PolarHBondContact O-N 2.98Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 3.12Å; L337-N340 PolarHBondContact O-N 3.22Å; L337-N340 VanDerWaalsContact O-N 3.15Å; L337-T341 HydrophobicContact CD1-CG2 4.02Å; L337-T341 HydrophobicContact CG-CG2 4.18Å; L337-T341 WeakPolarHBondContact O-CG2 3.44Å; L337-T341 PolarHBondContact O-N 3.18Å; L337-T341 PolarHBondContact O-OG1 2.7Å; L337-C349 VanDerWaalsContact CD2-SG 3.51Å; L337-C349 VanDerWaalsContact CG-SG 3.54Å; L337-L517 HydrophobicContact CD1-CD2 3.87Å; L337-T525 HydrophobicContact CB-CG2 4.24Å; L337-T525 HydrophobicContact CD1-CG2 4.37Å; L337-F526 HydrophobicContact CD1-CB 4.2Å; L337-F526 HydrophobicContact CD2-CB 4.46Å; L337-F526 HydrophobicContact CD2-CD2 4.02Å; L337-L529 HydrophobicContact CD2-CD2 3.87Å |
| 338 | S | 89.9 | Confident | 89.2 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 177.5 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | V334 S335 R336 N340 T341 | V334-S338 PolarHBondContact O-N 3.08Å; S335-S338 WeakPolarHBondContact O-CB 3.26Å; S335-S338 PolarHBondContact O-N 2.88Å; S335-S338 VanDerWaalsContact O-N 3.1Å; S335-S338 PolarHBondContact O-OG 2.97Å; R336-S338 VanDerWaalsContact C-N 3.34Å; S338-N340 VanDerWaalsContact C-N 3.31Å; S338-N340 PolarHBondContact O-N 3.23Å; S338-T341 PolarHBondContact O-OG1 3.46Å; S338-T341 VanDerWaalsContact O-OG1 3.07Å |
| 339 | E | 87.7 | Confident | 89 | Confident | 142 Ų | 142 | 50 Ų | 50 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.9 | -30 | 176.4 | -69.1 | 163.8 | -154.9 | 0 | 0 | 112.8 | S335 R336 L337 | S335-E339 PolarHBondContact O-N 2.85Å; S335-E339 VanDerWaalsContact O-N 3.1Å; S335-E339 PolarHBondContact OG-OE1 2.86Å; R336-E339 PolarHBondContact O-N 3.42Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 3.12Å |
| 340 | N | 87.2 | Confident | 88.8 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 9.1 | -175.6 | -73 | -23 | 0 | 0 | 0 | 114 | R336 L337 S338 A522 | R336-N340 PolarHBondContact O-N 3.28Å; L337-N340 PolarHBondContact O-N 3.22Å; L337-N340 VanDerWaalsContact O-N 3.15Å; S338-N340 VanDerWaalsContact C-N 3.31Å; S338-N340 PolarHBondContact O-N 3.23Å; N340-A522 HydrophobicContact CB-CB 4.47Å |
| 341 | T | 88.5 | Confident | 88.6 | Confident | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | trans | -108.7 | 148.1 | -177.1 | 55.6 | 0 | 0 | 0 | 0 | 113 | L337 S338 C349 L517 | L337-T341 HydrophobicContact CD1-CG2 4.02Å; L337-T341 HydrophobicContact CG-CG2 4.18Å; L337-T341 WeakPolarHBondContact O-CG2 3.44Å; L337-T341 PolarHBondContact O-N 3.18Å; L337-T341 PolarHBondContact O-OG1 2.7Å; S338-T341 PolarHBondContact O-OG1 3.46Å; S338-T341 VanDerWaalsContact O-OG1 3.07Å; T341-C349 HydrophobicContact CG2-CB 3.8Å; T341-C349 VanDerWaalsContact CG2-SG 3.51Å; T341-L517 HydrophobicContact CG2-CD2 3.83Å | ||
| 342 | I | 83.9 | Confident | 88.5 | Confident | 98 Ų | 98 | 49.8 Ų | 49.8 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | trans | -102.6 | 128.9 | 177.3 | -55.9 | 173.2 | 0 | 0 | 0 | 108.9 | S344 C516 A518 | I342-S344 PolarHBondContact O-N 2.84Å; I342-S344 VanDerWaalsContact O-N 3.1Å; I342-C516 PolarHBondContact N-O 3.46Å; I342-C516 VanDerWaalsContact O-CA 3.29Å; I342-C516 WeakPolarHBondContact O-CA 3.29Å; I342-C516 WeakPolarHBondContact O-CB 3.39Å; I342-C516 PolarHBondContact O-SG 2.73Å; I342-A518 HydrophobicContact CD1-CB 4.01Å | ||
| 343 | P | 82.2 | Confident | 88.4 | Confident | 116 Ų | 116 | 54.9 Ų | 54.9 | 75% | 0.753 | 30% | 0.299 | S | S | * | . | trans | -61.9 | 113.8 | 175.8 | -23.1 | 33.3 | 0 | 0 | 0 | 111.8 | ||||
| 344 | S | 80.3 | Confident | 88.2 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | trans | -101.2 | -8.9 | 179.6 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | I342 C346 F347 G512 | I342-S344 PolarHBondContact O-N 2.84Å; I342-S344 VanDerWaalsContact O-N 3.1Å; S344-C346 PolarHBondContact O-N 3.37Å; S344-F347 WeakPolarHBondContact OG-CB 3.37Å; S344-F347 PolarHBondContact OG-N 3.08Å; S344-F347 PolarHBondContact OG-O 3.27Å; S344-G512 WeakPolarHBondContact CB-O 3.32Å; S344-G512 PolarHBondContact OG-O 3.2Å | ||
| 345 | G | 77.6 | Confident | 88.1 | Confident | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 75.6 | -36.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 346 | C | 83.4 | Confident | 88.1 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -89.9 | -20.1 | 176.7 | -66 | 0 | 0 | 0 | 0 | 113.7 | S344 L419 Y509 | S344-C346 PolarHBondContact O-N 3.37Å; C346-L419 HydrophobicContact CB-CD2 4.39Å; C346-Y509 VanDerWaalsContact O-CD2 3.26Å; C346-Y509 WeakPolarHBondContact O-CD2 3.37Å; C346-Y509 WeakPolarHBondContact O-CE2 3.22Å |
| 347 | F | 90.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | -127.9 | 137.5 | -179.2 | 175.3 | -89.2 | 0 | 0 | 0 | 110.4 | S344 C349 V354 Y509 M513 C516 L517 F526 | S344-F347 WeakPolarHBondContact OG-CB 3.37Å; S344-F347 PolarHBondContact OG-N 3.08Å; S344-F347 PolarHBondContact OG-O 3.27Å; F347-C349 HydrophobicContact CE1-CB 4.01Å; F347-V354 HydrophobicContact CD2-CG2 4.42Å; F347-V354 HydrophobicContact CE2-CG1 4.41Å; F347-V354 HydrophobicContact CE2-CG2 3.53Å; F347-V354 HydrophobicContact CZ-CG2 3.8Å; F347-Y509 HydrophobicContact CB-CE2 4.31Å; F347-Y509 HydrophobicContact CD2-CE1 4.07Å; F347-Y509 AromaticContact CD2-CE2 3.78Å; F347-Y509 HydrophobicContact CD2-CE2 3.78Å; F347-Y509 AromaticContact CD2-CZ 3.51Å; F347-Y509 WeakPolarHBondContact CD2-OH 3.48Å; F347-Y509 HydrophobicContact CE2-CE1 4.43Å; F347-Y509 HydrophobicContact CG-CE2 4.49Å; F347-M513 HydrophobicContact CB-CB 4.49Å; F347-M513 HydrophobicContact CD1-CB 4.39Å; F347-M513 HydrophobicContact CD2-CB 3.58Å; F347-M513 HydrophobicContact CD2-CG 3.93Å; F347-M513 HydrophobicContact CE1-CG 4.22Å; F347-M513 HydrophobicContact CE2-CB 3.78Å; F347-M513 HydrophobicContact CE2-CG 3.57Å; F347-M513 HydrophobicContact CE2-SD 3.95Å; F347-M513 HydrophobicContact CG-CB 3.91Å; F347-M513 HydrophobicContact CG-CG 4.41Å; F347-M513 HydrophobicContact CZ-CB 4.28Å; F347-M513 HydrophobicContact CZ-CG 3.73Å; F347-M513 HydrophobicContact CZ-SD 4.37Å; F347-C516 HydrophobicContact CD1-CB 3.57Å; F347-C516 HydrophobicContact CE1-CB 4.11Å; F347-C516 HydrophobicContact CG-CB 4.49Å; F347-L517 HydrophobicContact CE1-CD1 4.48Å; F347-L517 HydrophobicContact CZ-CD1 4.43Å; F347-F526 AromaticContact CZ-CE2 3.96Å; F347-F526 HydrophobicContact CZ-CE2 3.96Å; F347-F526 HydrophobicContact CZ-CZ 4.21Å | ||
| 348 | E | 87.8 | Confident | 88.1 | Confident | 102 Ų | 102 | 50 Ų | 50 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | trans | -115.7 | 130.2 | 173.7 | -64.6 | -179.8 | 150.7 | 0 | 0 | 108.8 | D350 R353 V354 | E348-D350 PolarHBondContact O-N 3.2Å; E348-R353 IonicContact OE1-NH1 3.66Å; E348-R353 PolarHBondContact OE1-NH1 2.84Å; E348-R353 WeakPolarHBondContact OE2-CD 3.49Å; E348-R353 IonicContact OE2-CZ 3.47Å; E348-R353 IonicContact OE2-NE 3.61Å; E348-R353 IonicContact OE2-NH1 2.85Å; E348-R353 PolarHBondContact OE2-NH1 2.97Å; E348-V354 WeakPolarHBondContact O-CG2 3.31Å | ||
| 349 | C | 89.7 | Confident | 88.1 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -79.4 | 54.9 | -176.6 | -150.9 | 0 | 0 | 0 | 0 | 112.7 | L337 T341 F347 | L337-C349 VanDerWaalsContact CD2-SG 3.51Å; L337-C349 VanDerWaalsContact CG-SG 3.54Å; T341-C349 HydrophobicContact CG2-CB 3.8Å; T341-C349 VanDerWaalsContact CG2-SG 3.51Å; F347-C349 HydrophobicContact CE1-CB 4.01Å |
| 350 | D | 91.2 | Very high | 88.3 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 31% | 0.305 | 24% | 0.244 | S | C | . | . | trans | -128.2 | 109.4 | 174.9 | 177 | -15.9 | 0 | 0 | 0 | 108.7 | E348 K352 R353 V354 | E348-D350 PolarHBondContact O-N 3.2Å; D350-K352 PolarHBondContact O-N 3.25Å; D350-K352 VanDerWaalsContact OD1-CB 3.31Å; D350-K352 WeakPolarHBondContact OD1-CB 3.47Å; D350-K352 PolarHBondContact OD1-N 2.96Å; D350-R353 HydrophobicContact CB-CB 4.17Å; D350-R353 HydrophobicContact CB-CG 4.03Å; D350-R353 WeakPolarHBondContact O-CA 3.09Å; D350-R353 PolarHBondContact O-N 3.31Å; D350-R353 IonicContact OD2-NE 2.64Å; D350-V354 WeakPolarHBondContact O-CG2 3.42Å; D350-V354 PolarHBondContact O-N 3.07Å | ||
| 351 | L | 91.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53 | -32.1 | -177.7 | -74.2 | 172.1 | 0 | 0 | 0 | 113.8 | W229 A355 F526 L529 L530 Y533 L626 | W229-L351 HydrophobicContact CH2-CD2 3.73Å; W229-L351 HydrophobicContact CZ2-CD2 4.07Å; L351-A355 VanDerWaalsContact O-CB 3.27Å; L351-A355 WeakPolarHBondContact O-CB 3.36Å; L351-A355 PolarHBondContact O-N 2.64Å; L351-F526 HydrophobicContact CD2-CD2 4.32Å; L351-F526 HydrophobicContact CD2-CE1 3.87Å; L351-F526 HydrophobicContact CD2-CE2 3.62Å; L351-F526 HydrophobicContact CD2-CZ 3.37Å; L351-F526 HydrophobicContact CG-CE2 4.24Å; L351-F526 HydrophobicContact CG-CZ 4.43Å; L351-L529 HydrophobicContact CD1-CB 4.08Å; L351-L529 HydrophobicContact CD1-CD2 3.59Å; L351-L529 HydrophobicContact CD1-CG 3.55Å; L351-L529 HydrophobicContact CG-CD2 4.22Å; L351-L530 HydrophobicContact CD1-CB 4.27Å; L351-L530 HydrophobicContact CD2-CB 4.19Å; L351-Y533 HydrophobicContact CD1-CD2 3.56Å; L351-Y533 HydrophobicContact CD1-CE2 3.96Å; L351-Y533 HydrophobicContact CD1-CG 4.5Å; L351-L626 HydrophobicContact CB-CD1 4.14Å |
| 352 | K | 90.7 | Very high | 88.8 | Confident | 30 Ų | 30 | 41.9 Ų | 41.9 | 13% | 0.13 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.5 | -40.5 | 179.4 | -58.8 | 161.2 | -172.9 | 165.8 | 0 | 109.9 | D350 S356 Y533 E595 G627 | D350-K352 PolarHBondContact O-N 3.25Å; D350-K352 VanDerWaalsContact OD1-CB 3.31Å; D350-K352 WeakPolarHBondContact OD1-CB 3.47Å; D350-K352 PolarHBondContact OD1-N 2.96Å; K352-S356 PolarHBondContact O-N 2.87Å; K352-S356 VanDerWaalsContact O-N 3.1Å; K352-Y533 WeakPolarHBondContact CE-OH 3.41Å; K352-Y533 PolarHBondContact NZ-OH 3.39Å; K352-E595 IonicContact NZ-OE2 3.13Å; K352-E595 PolarHBondContact NZ-OE2 2.74Å; K352-G627 WeakPolarHBondContact O-CA 3.43Å |
| 353 | R | 90.3 | Very high | 89.2 | Confident | 130 Ų | 130 | 41 Ų | 41 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.9 | -40.3 | 176.4 | -61.5 | -171.8 | -172 | -163.3 | -1.3 | 112 | E348 D350 A355 S356 K357 | E348-R353 IonicContact OE1-NH1 3.66Å; E348-R353 PolarHBondContact OE1-NH1 2.84Å; E348-R353 WeakPolarHBondContact OE2-CD 3.49Å; E348-R353 IonicContact OE2-CZ 3.47Å; E348-R353 IonicContact OE2-NE 3.61Å; E348-R353 IonicContact OE2-NH1 2.85Å; E348-R353 PolarHBondContact OE2-NH1 2.97Å; D350-R353 HydrophobicContact CB-CB 4.17Å; D350-R353 HydrophobicContact CB-CG 4.03Å; D350-R353 WeakPolarHBondContact O-CA 3.09Å; D350-R353 PolarHBondContact O-N 3.31Å; D350-R353 IonicContact OD2-NE 2.64Å; R353-A355 VanDerWaalsContact C-N 3.28Å; R353-A355 PolarHBondContact O-N 2.97Å; R353-S356 WeakPolarHBondContact O-CB 3.28Å; R353-S356 PolarHBondContact O-N 3.3Å; R353-K357 WeakPolarHBondContact O-CB 3.36Å; R353-K357 PolarHBondContact O-N 2.82Å |
| 354 | V | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56 | -47.5 | 172.1 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | W229 F347 E348 D350 S356 K357 L358 Y509 F526 | W229-V354 HydrophobicContact CH2-CB 4.03Å; W229-V354 HydrophobicContact CH2-CG1 3.46Å; W229-V354 VanDerWaalsContact CH2-CG1 3.46Å; W229-V354 HydrophobicContact CZ3-CG1 3.48Å; W229-V354 VanDerWaalsContact CZ3-CG1 3.48Å; F347-V354 HydrophobicContact CD2-CG2 4.42Å; F347-V354 HydrophobicContact CE2-CG1 4.41Å; F347-V354 HydrophobicContact CE2-CG2 3.53Å; F347-V354 HydrophobicContact CZ-CG2 3.8Å; E348-V354 WeakPolarHBondContact O-CG2 3.31Å; D350-V354 WeakPolarHBondContact O-CG2 3.42Å; D350-V354 PolarHBondContact O-N 3.07Å; V354-S356 PolarHBondContact O-N 3.43Å; V354-K357 PolarHBondContact O-N 3.42Å; V354-K357 VanDerWaalsContact O-N 3.17Å; V354-L358 HydrophobicContact CG1-CD1 3.9Å; V354-L358 HydrophobicContact CG1-CG 4.21Å; V354-L358 WeakPolarHBondContact O-CB 3.49Å; V354-L358 VanDerWaalsContact O-CG 3.31Å; V354-L358 WeakPolarHBondContact O-CG 3.48Å; V354-L358 PolarHBondContact O-N 3.11Å; V354-Y509 WeakPolarHBondContact CA-OH 3.31Å; V354-Y509 WeakPolarHBondContact CG1-OH 3.5Å; V354-Y509 WeakPolarHBondContact CG2-OH 3.39Å; V354-F526 HydrophobicContact CG2-CZ 4.38Å |
| 355 | A | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F228 W229 L351 R353 K357 R359 D625 L626 | F228-A355 HydrophobicContact CE1-CB 4.17Å; F228-A355 WeakPolarHBondContact CE1-O 3.26Å; F228-A355 WeakPolarHBondContact CZ-O 3.4Å; W229-A355 HydrophobicContact CZ2-CB 4.47Å; L351-A355 VanDerWaalsContact O-CB 3.27Å; L351-A355 WeakPolarHBondContact O-CB 3.36Å; L351-A355 PolarHBondContact O-N 2.64Å; R353-A355 VanDerWaalsContact C-N 3.28Å; R353-A355 PolarHBondContact O-N 2.97Å; A355-K357 VanDerWaalsContact C-N 3.3Å; A355-K357 PolarHBondContact O-N 3.12Å; A355-R359 WeakPolarHBondContact O-CB 3.43Å; A355-R359 PolarHBondContact O-N 3.41Å; A355-R359 VanDerWaalsContact O-N 3.1Å; A355-D625 HydrophobicContact CB-CB 4.24Å; A355-D625 VanDerWaalsContact CB-OD1 3.26Å; A355-D625 WeakPolarHBondContact CB-OD1 3.36Å; A355-L626 HydrophobicContact CB-CB 4.1Å |
| 356 | S | 90.2 | Very high | 91 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 47% | 0.469 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.8 | -40.2 | 174 | -170 | 0 | 0 | 0 | 0 | 113.1 | K352 R353 V354 R359 G360 | K352-S356 PolarHBondContact O-N 2.87Å; K352-S356 VanDerWaalsContact O-N 3.1Å; R353-S356 WeakPolarHBondContact O-CB 3.28Å; R353-S356 PolarHBondContact O-N 3.3Å; V354-S356 PolarHBondContact O-N 3.43Å; S356-R359 PolarHBondContact O-N 3.4Å; S356-G360 PolarHBondContact O-N 3.22Å |
| 357 | K | 91.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 15% | 0.148 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.5 | -48.4 | -177.7 | -176.3 | 58.8 | 160.8 | 168.4 | 0 | 111.8 | R353 V354 A355 R359 G360 M361 Q408 F409 Y509 | R353-K357 WeakPolarHBondContact O-CB 3.36Å; R353-K357 PolarHBondContact O-N 2.82Å; V354-K357 PolarHBondContact O-N 3.42Å; V354-K357 VanDerWaalsContact O-N 3.17Å; A355-K357 VanDerWaalsContact C-N 3.3Å; A355-K357 PolarHBondContact O-N 3.12Å; K357-R359 PolarHBondContact O-N 2.84Å; K357-G360 PolarHBondContact O-N 3.39Å; K357-M361 HydrophobicContact CD-CE 4Å; K357-M361 HydrophobicContact CG-CE 3.9Å; K357-M361 HydrophobicContact CG-SD 4.46Å; K357-M361 WeakPolarHBondContact O-CG 3.37Å; K357-M361 PolarHBondContact O-N 2.74Å; K357-M361 VanDerWaalsContact O-N 3.08Å; K357-Q408 PolarHBondContact NZ-O 2.89Å; K357-F409 VanDerWaalsContact NZ-CD1 3.29Å; K357-F409 VanDerWaalsContact NZ-CE1 3.28Å; K357-Y509 HydrophobicContact CB-CE2 4.4Å; K357-Y509 HydrophobicContact CG-CD2 4.01Å; K357-Y509 HydrophobicContact CG-CE1 4.32Å; K357-Y509 HydrophobicContact CG-CE2 3.59Å |
| 358 | L | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -29.6 | 175.7 | -67.5 | 179.5 | 0 | 0 | 0 | 111.7 | F228 W229 F231 L232 V354 M361 S362 Y509 | F228-L358 HydrophobicContact CE1-CB 3.44Å; F228-L358 VanDerWaalsContact CE1-CB 3.44Å; F228-L358 HydrophobicContact CE1-CD1 3.87Å; F228-L358 HydrophobicContact CE1-CG 4.29Å; F228-L358 HydrophobicContact CE2-CB 4.45Å; F228-L358 HydrophobicContact CZ-CB 3.32Å; W229-L358 HydrophobicContact CE3-CD1 3.72Å; W229-L358 HydrophobicContact CH2-CD1 4.4Å; W229-L358 HydrophobicContact CZ3-CD1 3.67Å; F231-L358 HydrophobicContact CD1-CD2 3.93Å; F231-L358 HydrophobicContact CE1-CD2 4.01Å; L232-L358 HydrophobicContact CB-CD1 4.01Å; L232-L358 HydrophobicContact CB-CD2 4.22Å; L232-L358 HydrophobicContact CD1-CD2 4.2Å; L232-L358 HydrophobicContact CD2-CD1 4.24Å; V354-L358 HydrophobicContact CG1-CD1 3.9Å; V354-L358 HydrophobicContact CG1-CG 4.21Å; V354-L358 WeakPolarHBondContact O-CB 3.49Å; V354-L358 VanDerWaalsContact O-CG 3.31Å; V354-L358 WeakPolarHBondContact O-CG 3.48Å; V354-L358 PolarHBondContact O-N 3.11Å; L358-M361 HydrophobicContact CD2-SD 4.19Å; L358-M361 PolarHBondContact O-N 2.96Å; L358-S362 WeakPolarHBondContact O-CB 3.17Å; L358-S362 PolarHBondContact O-N 2.72Å; L358-Y509 HydrophobicContact CD2-CD1 4.31Å; L358-Y509 HydrophobicContact CD2-CE1 3.96Å |
| 359 | R | 90.1 | Very high | 91.9 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.7 | -42.3 | -178.3 | -174.4 | -162.6 | -57.3 | -115.3 | 16.9 | 110 | F228 A355 S356 K357 M361 S362 T363 D625 A628 | F228-R359 HydrophobicContact CE2-CB 3.68Å; F228-R359 HydrophobicContact CE2-CG 4.21Å; F228-R359 HydrophobicContact CZ-CB 3.78Å; F228-R359 VanDerWaalsContact CZ-N 3.25Å; A355-R359 WeakPolarHBondContact O-CB 3.43Å; A355-R359 PolarHBondContact O-N 3.41Å; A355-R359 VanDerWaalsContact O-N 3.1Å; S356-R359 PolarHBondContact O-N 3.4Å; K357-R359 PolarHBondContact O-N 2.84Å; R359-M361 VanDerWaalsContact C-N 3.27Å; R359-M361 PolarHBondContact O-N 3.03Å; R359-S362 PolarHBondContact O-N 3.26Å; R359-T363 VanDerWaalsContact O-CB 3.29Å; R359-T363 WeakPolarHBondContact O-CB 3.21Å; R359-T363 PolarHBondContact O-N 2.9Å; R359-T363 PolarHBondContact O-OG1 2.77Å; R359-D625 IonicContact CZ-OD1 3.43Å; R359-D625 IonicContact CZ-OD2 2.8Å; R359-D625 IonicContact NE-OD1 3.74Å; R359-D625 IonicContact NE-OD2 3.59Å; R359-D625 PolarHBondContact NE-OD2 3.13Å; R359-D625 IonicContact NH1-OD2 3.9Å; R359-D625 IonicContact NH2-OD1 3.08Å; R359-D625 PolarHBondContact NH2-OD1 3.47Å; R359-D625 IonicContact NH2-OD2 3.91Å; R359-D625 PolarHBondContact NH2-OD2 3.27Å; R359-A628 VanDerWaalsContact NH2-N 3.16Å; R359-A628 PolarHBondContact NH2-O 2.99Å |
| 360 | G | 91.4 | Very high | 92 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | S356 K357 T364 | S356-G360 PolarHBondContact O-N 3.22Å; K357-G360 PolarHBondContact O-N 3.39Å; G360-T364 WeakPolarHBondContact O-CB 3.44Å; G360-T364 PolarHBondContact O-N 2.94Å; G360-T364 PolarHBondContact O-OG1 3.46Å |
| 361 | M | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -51.5 | 177.7 | -66.9 | 166.6 | 172.1 | 0 | 0 | 112.6 | F231 K357 L358 R359 T363 T364 E365 F409 H502 V506 Y509 | F231-M361 HydrophobicContact CE1-CB 3.89Å; F231-M361 HydrophobicContact CE1-SD 4.19Å; F231-M361 HydrophobicContact CE2-CB 4.45Å; F231-M361 HydrophobicContact CZ-CB 3.61Å; K357-M361 HydrophobicContact CD-CE 4Å; K357-M361 HydrophobicContact CG-CE 3.9Å; K357-M361 HydrophobicContact CG-SD 4.46Å; K357-M361 WeakPolarHBondContact O-CG 3.37Å; K357-M361 PolarHBondContact O-N 2.74Å; K357-M361 VanDerWaalsContact O-N 3.08Å; L358-M361 HydrophobicContact CD2-SD 4.19Å; L358-M361 PolarHBondContact O-N 2.96Å; R359-M361 VanDerWaalsContact C-N 3.27Å; R359-M361 PolarHBondContact O-N 3.03Å; M361-T363 VanDerWaalsContact C-N 3.32Å; M361-T363 PolarHBondContact O-N 3.49Å; M361-T364 WeakPolarHBondContact O-CA 3.39Å; M361-T364 VanDerWaalsContact O-CB 3.28Å; M361-T364 WeakPolarHBondContact O-CB 3.25Å; M361-T364 PolarHBondContact O-N 3.1Å; M361-E365 PolarHBondContact O-N 2.9Å; M361-F409 HydrophobicContact CE-CE1 4.2Å; M361-F409 HydrophobicContact CE-CE2 3.81Å; M361-F409 HydrophobicContact CE-CZ 3.25Å; M361-H502 PolarHBondContact O-CE1 2.69Å; M361-H502 VanDerWaalsContact O-CE1 3.25Å; M361-V506 HydrophobicContact CB-CG2 4.32Å; M361-V506 HydrophobicContact CG-CG2 4.15Å; M361-V506 HydrophobicContact SD-CG2 4.03Å; M361-Y509 HydrophobicContact CE-CD1 4.1Å; M361-Y509 HydrophobicContact CE-CD2 4.27Å; M361-Y509 HydrophobicContact CE-CG 3.76Å; M361-Y509 HydrophobicContact SD-CD1 4.37Å |
| 362 | S | 92.2 | Very high | 91.9 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -38.6 | 179 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | L358 R359 T364 E365 A366 | L358-S362 WeakPolarHBondContact O-CB 3.17Å; L358-S362 PolarHBondContact O-N 2.72Å; R359-S362 PolarHBondContact O-N 3.26Å; S362-T364 VanDerWaalsContact C-N 3.3Å; S362-T364 PolarHBondContact O-N 3.3Å; S362-E365 PolarHBondContact O-N 3.31Å; S362-A366 WeakPolarHBondContact O-CB 3.42Å; S362-A366 PolarHBondContact O-N 3.47Å |
| 363 | T | 91.9 | Very high | 91.8 | Very high | 80 Ų | 80 | 47 Ų | 47 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 174.5 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | R359 M361 A366 S367 | R359-T363 VanDerWaalsContact O-CB 3.29Å; R359-T363 WeakPolarHBondContact O-CB 3.21Å; R359-T363 PolarHBondContact O-N 2.9Å; R359-T363 PolarHBondContact O-OG1 2.77Å; M361-T363 VanDerWaalsContact C-N 3.32Å; M361-T363 PolarHBondContact O-N 3.49Å; T363-A366 PolarHBondContact O-N 3.32Å; T363-S367 WeakPolarHBondContact O-CB 3.37Å; T363-S367 PolarHBondContact O-N 3.25Å; T363-S367 PolarHBondContact O-OG 2.89Å |
| 364 | T | 94.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -46.2 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | G360 M361 S362 A366 S367 L368 L401 I405 Q408 | G360-T364 WeakPolarHBondContact O-CB 3.44Å; G360-T364 PolarHBondContact O-N 2.94Å; G360-T364 PolarHBondContact O-OG1 3.46Å; M361-T364 WeakPolarHBondContact O-CA 3.39Å; M361-T364 VanDerWaalsContact O-CB 3.28Å; M361-T364 WeakPolarHBondContact O-CB 3.25Å; M361-T364 PolarHBondContact O-N 3.1Å; S362-T364 VanDerWaalsContact C-N 3.3Å; S362-T364 PolarHBondContact O-N 3.3Å; T364-A366 VanDerWaalsContact C-N 3.34Å; T364-A366 PolarHBondContact O-N 3.34Å; T364-S367 WeakPolarHBondContact O-CB 3.4Å; T364-S367 PolarHBondContact O-N 3.25Å; T364-S367 VanDerWaalsContact O-N 3.13Å; T364-L368 HydrophobicContact CG2-CD1 4.31Å; T364-L368 WeakPolarHBondContact O-CG 3.42Å; T364-L368 PolarHBondContact O-N 3.21Å; T364-L401 HydrophobicContact CG2-CD1 3.99Å; T364-I405 HydrophobicContact CG2-CD1 3.9Å; T364-I405 HydrophobicContact CG2-CG1 3.53Å; T364-Q408 PolarHBondContact OG1-NE2 3.46Å |
| 365 | E | 93 | Very high | 91.3 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 23% | 0.229 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.8 | -159.4 | -163.5 | 122 | 0 | 0 | 112 | F231 H235 M361 S362 S367 L368 R369 | F231-E365 VanDerWaalsContact CE2-OE2 3.29Å; F231-E365 WeakPolarHBondContact CE2-OE2 3.27Å; H235-E365 IonicContact CE1-OE2 3.96Å; H235-E365 IonicContact NE2-OE2 3.76Å; H235-E365 PolarHBondContact NE2-OE2 3.49Å; M361-E365 PolarHBondContact O-N 2.9Å; S362-E365 PolarHBondContact O-N 3.31Å; E365-S367 VanDerWaalsContact C-N 3.31Å; E365-S367 PolarHBondContact O-N 3.39Å; E365-L368 PolarHBondContact O-N 3.18Å; E365-R369 WeakPolarHBondContact O-CB 3.41Å; E365-R369 PolarHBondContact O-N 3.28Å; E365-R369 IonicContact OE1-CZ 2.77Å; E365-R369 IonicContact OE1-NH1 3.97Å; E365-R369 PolarHBondContact OE1-NH1 2.98Å; E365-R369 VanDerWaalsContact OE1-NH1 3.08Å; E365-R369 IonicContact OE1-NH2 3.98Å; E365-R369 PolarHBondContact OE1-NH2 3.02Å |
| 366 | A | 92 | Very high | 91.1 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 44% | 0.438 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S362 T363 T364 R369 A370 | S362-A366 WeakPolarHBondContact O-CB 3.42Å; S362-A366 PolarHBondContact O-N 3.47Å; T363-A366 PolarHBondContact O-N 3.32Å; T364-A366 VanDerWaalsContact C-N 3.34Å; T364-A366 PolarHBondContact O-N 3.34Å; A366-R369 PolarHBondContact O-N 3.16Å; A366-A370 WeakPolarHBondContact O-CB 2.96Å; A366-A370 PolarHBondContact O-N 3.01Å |
| 367 | S | 93.3 | Very high | 90.9 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | T363 T364 E365 A370 L371 | T363-S367 WeakPolarHBondContact O-CB 3.37Å; T363-S367 PolarHBondContact O-N 3.25Å; T363-S367 PolarHBondContact O-OG 2.89Å; T364-S367 WeakPolarHBondContact O-CB 3.4Å; T364-S367 PolarHBondContact O-N 3.25Å; T364-S367 VanDerWaalsContact O-N 3.13Å; E365-S367 VanDerWaalsContact C-N 3.31Å; E365-S367 PolarHBondContact O-N 3.39Å; S367-A370 PolarHBondContact O-N 3.45Å; S367-L371 VanDerWaalsContact O-CB 3.29Å; S367-L371 WeakPolarHBondContact O-CB 3.41Å; S367-L371 PolarHBondContact O-N 3.12Å |
| 368 | L | 93.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 173.8 | -72.4 | 168.7 | 0 | 0 | 0 | 111.2 | T364 E365 L371 R372 L401 L498 E499 H502 | T364-L368 HydrophobicContact CG2-CD1 4.31Å; T364-L368 WeakPolarHBondContact O-CG 3.42Å; T364-L368 PolarHBondContact O-N 3.21Å; E365-L368 PolarHBondContact O-N 3.18Å; L368-L371 PolarHBondContact O-N 3.38Å; L368-R372 PolarHBondContact O-N 3.43Å; L368-L401 HydrophobicContact CD2-CD2 3.41Å; L368-L401 VanDerWaalsContact CD2-CD2 3.41Å; L368-L401 HydrophobicContact CD2-CG 4.5Å; L368-L401 HydrophobicContact CG-CD2 3.87Å; L368-L498 HydrophobicContact CD2-CB 3.68Å; L368-L498 HydrophobicContact CD2-CD1 4.24Å; L368-E499 HydrophobicContact CD1-CG 4.2Å; L368-H502 HydrophobicContact CD1-CB 4.02Å |
| 369 | R | 93.1 | Very high | 90.3 | Very high | 138 Ų | 138 | 50.5 Ų | 50.5 | 52% | 0.521 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 177.3 | -175.4 | 176.1 | -72.9 | 100.5 | -5.1 | 112.3 | E365 A366 R372 L373 | E365-R369 WeakPolarHBondContact O-CB 3.41Å; E365-R369 PolarHBondContact O-N 3.28Å; E365-R369 IonicContact OE1-CZ 2.77Å; E365-R369 IonicContact OE1-NH1 3.97Å; E365-R369 PolarHBondContact OE1-NH1 2.98Å; E365-R369 VanDerWaalsContact OE1-NH1 3.08Å; E365-R369 IonicContact OE1-NH2 3.98Å; E365-R369 PolarHBondContact OE1-NH2 3.02Å; A366-R369 PolarHBondContact O-N 3.16Å; R369-R372 PolarHBondContact O-N 3.34Å; R369-L373 WeakPolarHBondContact O-CG 3.37Å; R369-L373 PolarHBondContact O-N 3.45Å |
| 370 | A | 91.1 | Very high | 89.9 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A366 S367 R372 L373 Q374 | A366-A370 WeakPolarHBondContact O-CB 2.96Å; A366-A370 PolarHBondContact O-N 3.01Å; S367-A370 PolarHBondContact O-N 3.45Å; A370-R372 VanDerWaalsContact C-N 3.32Å; A370-R372 PolarHBondContact O-N 2.89Å; A370-L373 PolarHBondContact O-N 2.77Å; A370-Q374 WeakPolarHBondContact O-CB 3.08Å; A370-Q374 PolarHBondContact O-N 3.18Å |
| 371 | L | 90.2 | Very high | 89.3 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -39.7 | 176.9 | -174.4 | 61.9 | 0 | 0 | 0 | 111.8 | S367 L368 F375 L394 T397 L495 | S367-L371 VanDerWaalsContact O-CB 3.29Å; S367-L371 WeakPolarHBondContact O-CB 3.41Å; S367-L371 PolarHBondContact O-N 3.12Å; L368-L371 PolarHBondContact O-N 3.38Å; L371-F375 WeakPolarHBondContact O-CB 3.32Å; L371-F375 PolarHBondContact O-N 3.24Å; L371-L394 HydrophobicContact CD1-CD1 4.01Å; L371-L394 HydrophobicContact CD2-CD1 3.63Å; L371-L394 HydrophobicContact CG-CD1 3.93Å; L371-T397 HydrophobicContact CD1-CG2 4.15Å; L371-T397 HydrophobicContact CD2-CG2 4.33Å; L371-L495 HydrophobicContact CD2-CD2 3.55Å; L371-L495 HydrophobicContact CG-CD2 3.82Å |
| 372 | R | 90.7 | Very high | 88.5 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 28% | 0.279 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 176.4 | -164.6 | 165 | -167 | 163.1 | -3.4 | 113 | L368 R369 A370 F375 L376 E492 L495 E499 | L368-R372 PolarHBondContact O-N 3.43Å; R369-R372 PolarHBondContact O-N 3.34Å; A370-R372 VanDerWaalsContact C-N 3.32Å; A370-R372 PolarHBondContact O-N 2.89Å; R372-F375 WeakPolarHBondContact O-CB 3.3Å; R372-F375 PolarHBondContact O-N 3.46Å; R372-L376 WeakPolarHBondContact O-CG 3.39Å; R372-L376 PolarHBondContact O-N 3.1Å; R372-E492 IonicContact CZ-OE1 3.57Å; R372-E492 IonicContact NE-OE1 3.75Å; R372-E492 IonicContact NE-OE2 2.9Å; R372-E492 IonicContact NH2-OE1 2.68Å; R372-E492 PolarHBondContact NH2-OE1 3.32Å; R372-E492 IonicContact NH2-OE2 2.8Å; R372-L495 HydrophobicContact CB-CD1 4.46Å; R372-L495 HydrophobicContact CG-CD1 4.32Å; R372-E499 IonicContact CZ-OE1 2.84Å; R372-E499 IonicContact NH1-OE1 3.79Å; R372-E499 PolarHBondContact NH1-OE1 2.87Å; R372-E499 IonicContact NH1-OE2 2.81Å; R372-E499 PolarHBondContact NH1-OE2 3.13Å |
| 373 | L | 88.9 | Confident | 87.9 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 174.4 | -70.9 | 173.3 | 0 | 0 | 0 | 111.3 | R369 A370 F375 L376 D377 | R369-L373 WeakPolarHBondContact O-CG 3.37Å; R369-L373 PolarHBondContact O-N 3.45Å; A370-L373 PolarHBondContact O-N 2.77Å; L373-F375 PolarHBondContact O-N 3.17Å; L373-L376 PolarHBondContact O-N 3.14Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L373-D377 PolarHBondContact O-N 2.66Å |
| 374 | Q | 85.7 | Confident | 87.7 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.8 | -39 | 175.8 | -170.1 | -170.8 | -4.6 | 0 | 0 | 111.8 | A370 A378 | A370-Q374 WeakPolarHBondContact O-CB 3.08Å; A370-Q374 PolarHBondContact O-N 3.18Å; Q374-A378 WeakPolarHBondContact O-CB 2.82Å; Q374-A378 PolarHBondContact O-N 3.1Å; Q374-A378 VanDerWaalsContact O-N 3.12Å |
| 375 | F | 87.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 175.5 | 171.1 | -99.7 | 0 | 0 | 0 | 112.2 | L371 R372 L373 D377 A378 F379 H488 A491 L495 | L371-F375 WeakPolarHBondContact O-CB 3.32Å; L371-F375 PolarHBondContact O-N 3.24Å; R372-F375 WeakPolarHBondContact O-CB 3.3Å; R372-F375 PolarHBondContact O-N 3.46Å; L373-F375 PolarHBondContact O-N 3.17Å; F375-D377 VanDerWaalsContact C-N 3.28Å; F375-D377 PolarHBondContact O-N 3.49Å; F375-A378 PolarHBondContact O-N 2.94Å; F375-F379 AromaticContact CD2-CD2 3.61Å; F375-F379 HydrophobicContact CD2-CD2 3.61Å; F375-F379 AromaticContact CD2-CE2 3.35Å; F375-F379 HydrophobicContact CD2-CE2 3.35Å; F375-F379 HydrophobicContact CD2-CZ 4.3Å; F375-F379 AromaticContact CE2-CD2 3.42Å; F375-F379 HydrophobicContact CE2-CD2 3.42Å; F375-F379 VanDerWaalsContact CE2-CD2 3.42Å; F375-F379 HydrophobicContact CE2-CE1 4.39Å; F375-F379 AromaticContact CE2-CE2 2.98Å; F375-F379 HydrophobicContact CE2-CE2 2.98Å; F375-F379 HydrophobicContact CE2-CG 4.28Å; F375-F379 AromaticContact CE2-CZ 3.53Å; F375-F379 HydrophobicContact CE2-CZ 3.53Å; F375-F379 HydrophobicContact CG-CD2 4.27Å; F375-F379 HydrophobicContact CG-CE2 4.41Å; F375-F379 AromaticContact CZ-CD2 3.95Å; F375-F379 HydrophobicContact CZ-CD2 3.95Å; F375-F379 AromaticContact CZ-CE2 3.85Å; F375-F379 HydrophobicContact CZ-CE2 3.85Å; F375-F379 HydrophobicContact CZ-CG 4.43Å; F375-F379 HydrophobicContact CZ-CZ 4.2Å; F375-F379 VanDerWaalsContact O-CD2 3.27Å; F375-F379 WeakPolarHBondContact O-CD2 3.37Å; F375-F379 PolarHBondContact O-N 2.82Å; F375-H488 AromaticContact CE1-CD2 3.45Å; F375-H488 VanDerWaalsContact CE1-CD2 3.45Å; F375-H488 WeakPolarHBondContact CE1-CD2 3.22Å; F375-H488 AromaticContact CE1-NE2 3.39Å; F375-H488 WeakPolarHBondContact CE1-NE2 3.33Å; F375-H488 HydrophobicContact CZ-CB 4.21Å; F375-H488 AromaticContact CZ-CD2 3.26Å; F375-H488 WeakPolarHBondContact CZ-CD2 3.04Å; F375-H488 AromaticContact CZ-CG 3.7Å; F375-H488 AromaticContact CZ-NE2 3.71Å; F375-H488 WeakPolarHBondContact CZ-O 3.07Å; F375-A491 HydrophobicContact CD2-CB 3.96Å; F375-A491 HydrophobicContact CE2-CB 3.18Å; F375-A491 HydrophobicContact CZ-CB 3.74Å; F375-L495 HydrophobicContact CB-CD1 4.44Å; F375-L495 HydrophobicContact CD1-CD1 4.25Å; F375-L495 HydrophobicContact CG-CD1 4.31Å |
| 376 | L | 86.8 | Confident | 87 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 176.5 | -73.8 | 167.6 | 0 | 0 | 0 | 112.2 | R372 L373 Q380 | R372-L376 WeakPolarHBondContact O-CG 3.39Å; R372-L376 PolarHBondContact O-N 3.1Å; L373-L376 PolarHBondContact O-N 3.14Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L376-Q380 WeakPolarHBondContact O-CG 3.27Å; L376-Q380 PolarHBondContact O-N 2.7Å |
| 377 | D | 85.3 | Confident | 86.9 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 178.7 | -66.2 | -20.9 | 0 | 0 | 0 | 111.6 | L373 F375 F379 Q380 E381 | L373-D377 PolarHBondContact O-N 2.66Å; F375-D377 VanDerWaalsContact C-N 3.28Å; F375-D377 PolarHBondContact O-N 3.49Å; D377-F379 PolarHBondContact O-N 3.44Å; D377-Q380 PolarHBondContact O-N 2.82Å; D377-E381 PolarHBondContact O-N 2.74Å |
| 378 | A | 84.4 | Confident | 86.8 | Confident | 16 Ų | 16 | 59 Ų | 59 | 13% | 0.132 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.7 | -24.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q374 F375 C390 | Q374-A378 WeakPolarHBondContact O-CB 2.82Å; Q374-A378 PolarHBondContact O-N 3.1Å; Q374-A378 VanDerWaalsContact O-N 3.12Å; F375-A378 PolarHBondContact O-N 2.94Å; A378-C390 HydrophobicContact CB-CB 3.53Å; A378-C390 VanDerWaalsContact CB-SG 3.52Å |
| 379 | F | 85.9 | Confident | 86.6 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -4.3 | 176.5 | -80.1 | -98.3 | 0 | 0 | 0 | 113.4 | F375 D377 I484 L487 H488 | F375-F379 AromaticContact CD2-CD2 3.61Å; F375-F379 HydrophobicContact CD2-CD2 3.61Å; F375-F379 AromaticContact CD2-CE2 3.35Å; F375-F379 HydrophobicContact CD2-CE2 3.35Å; F375-F379 HydrophobicContact CD2-CZ 4.3Å; F375-F379 AromaticContact CE2-CD2 3.42Å; F375-F379 HydrophobicContact CE2-CD2 3.42Å; F375-F379 VanDerWaalsContact CE2-CD2 3.42Å; F375-F379 HydrophobicContact CE2-CE1 4.39Å; F375-F379 AromaticContact CE2-CE2 2.98Å; F375-F379 HydrophobicContact CE2-CE2 2.98Å; F375-F379 HydrophobicContact CE2-CG 4.28Å; F375-F379 AromaticContact CE2-CZ 3.53Å; F375-F379 HydrophobicContact CE2-CZ 3.53Å; F375-F379 HydrophobicContact CG-CD2 4.27Å; F375-F379 HydrophobicContact CG-CE2 4.41Å; F375-F379 AromaticContact CZ-CD2 3.95Å; F375-F379 HydrophobicContact CZ-CD2 3.95Å; F375-F379 AromaticContact CZ-CE2 3.85Å; F375-F379 HydrophobicContact CZ-CE2 3.85Å; F375-F379 HydrophobicContact CZ-CG 4.43Å; F375-F379 HydrophobicContact CZ-CZ 4.2Å; F375-F379 VanDerWaalsContact O-CD2 3.27Å; F375-F379 WeakPolarHBondContact O-CD2 3.37Å; F375-F379 PolarHBondContact O-N 2.82Å; D377-F379 PolarHBondContact O-N 3.44Å; F379-I484 HydrophobicContact CD1-CG2 3.7Å; F379-I484 HydrophobicContact CE1-CG2 4.02Å; F379-I484 WeakPolarHBondContact CE1-O 3.32Å; F379-L487 HydrophobicContact CE1-CB 4.16Å; F379-L487 HydrophobicContact CZ-CB 4.15Å; F379-H488 HydrophobicContact CD1-CB 3.68Å; F379-H488 AromaticContact CD1-CD2 3.82Å; F379-H488 HydrophobicContact CE1-CB 3.51Å; F379-H488 AromaticContact CG-CD2 3.88Å; F379-H488 HydrophobicContact CZ-CB 4.25Å |
| 380 | Q | 83.6 | Confident | 86.5 | Confident | 153 Ų | 153 | 55.6 Ų | 55.6 | 72% | 0.715 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -20.5 | 167.5 | -70.9 | 176.5 | 17 | 0 | 0 | 112.4 | L376 D377 | L376-Q380 WeakPolarHBondContact O-CG 3.27Å; L376-Q380 PolarHBondContact O-N 2.7Å; D377-Q380 PolarHBondContact O-N 2.82Å |
| 381 | E | 77.8 | Confident | 86.7 | Confident | 119 Ų | 119 | 52.9 Ų | 52.9 | 56% | 0.556 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -67.8 | 135.8 | 176.3 | -69.5 | -164.3 | 162.6 | 0 | 0 | 111.3 | D377 G383 A386 | D377-E381 PolarHBondContact O-N 2.74Å; E381-G383 PolarHBondContact O-N 2.85Å; E381-A386 HydrophobicContact CB-CB 4.04Å; E381-A386 WeakPolarHBondContact OE2-CB 3.47Å |
| 382 | P | 76.6 | Confident | 86.8 | Confident | 130 Ų | 130 | 57.8 Ų | 57.8 | 84% | 0.844 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70.1 | 129.2 | 176.1 | 27.8 | -32.1 | 0 | 0 | 0 | 110.4 | ||
| 383 | G | 80.5 | Confident | 86.9 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 109.7 | 141.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E381 G385 E480 | E381-G383 PolarHBondContact O-N 2.85Å; G383-G385 VanDerWaalsContact C-N 3.26Å; G383-G385 PolarHBondContact O-N 3.1Å; G383-E480 WeakPolarHBondContact CA-OE1 3.32Å |
| 384 | L | 86.4 | Confident | 87.2 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.2 | -29.6 | -176.9 | -167.1 | 62.9 | 0 | 0 | 0 | 114.6 | A386 S387 I388 V468 V474 E480 M483 I484 L487 | L384-A386 PolarHBondContact O-N 3.33Å; L384-S387 PolarHBondContact O-N 3.42Å; L384-I388 HydrophobicContact CD2-CD1 4.35Å; L384-I388 HydrophobicContact CG-CD1 3.95Å; L384-I388 HydrophobicContact CG-CG1 4.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.37Å; L384-I388 PolarHBondContact O-N 2.88Å; L384-V468 HydrophobicContact CD1-CG1 3.81Å; L384-V468 HydrophobicContact CD2-CG1 3.57Å; L384-V468 HydrophobicContact CG-CG1 3.84Å; L384-V474 HydrophobicContact CD2-CG2 4.31Å; L384-E480 HydrophobicContact CB-CG 4.02Å; L384-E480 PolarHBondContact N-OE1 3.24Å; L384-M483 HydrophobicContact CD1-CB 3.93Å; L384-M483 HydrophobicContact CD2-SD 4.06Å; L384-I484 HydrophobicContact CD1-CG1 3.64Å; L384-L487 HydrophobicContact CD1-CD1 4.3Å |
| 385 | G | 87 | Confident | 87.6 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 54% | 0.536 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | G383 I388 A389 | G383-G385 VanDerWaalsContact C-N 3.26Å; G383-G385 PolarHBondContact O-N 3.1Å; G385-I388 PolarHBondContact O-N 3.46Å; G385-A389 WeakPolarHBondContact O-CB 3.3Å; G385-A389 PolarHBondContact O-N 2.93Å |
| 386 | A | 86.7 | Confident | 87.9 | Confident | 26 Ų | 26 | 54 Ų | 54 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E381 L384 A389 C390 | E381-A386 HydrophobicContact CB-CB 4.04Å; E381-A386 WeakPolarHBondContact OE2-CB 3.47Å; L384-A386 PolarHBondContact O-N 3.33Å; A386-A389 PolarHBondContact O-N 3.31Å; A386-C390 VanDerWaalsContact O-CB 3.3Å; A386-C390 WeakPolarHBondContact O-CB 3.36Å; A386-C390 PolarHBondContact O-N 3.17Å |
| 387 | S | 89.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177 | -49.5 | 0 | 0 | 0 | 0 | 112.2 | L384 C390 C391 | L384-S387 PolarHBondContact O-N 3.42Å; S387-C390 PolarHBondContact O-N 3.41Å; S387-C391 WeakPolarHBondContact O-CB 3.41Å; S387-C391 PolarHBondContact O-N 3.38Å; S387-C391 PolarHBondContact O-SG 3.17Å |
| 388 | I | 90.9 | Very high | 88.7 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 11% | 0.108 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -50 | 176 | -66.4 | 169.3 | 0 | 0 | 0 | 110.7 | L384 G385 C390 C391 R392 V465 V468 S469 L487 | L384-I388 HydrophobicContact CD2-CD1 4.35Å; L384-I388 HydrophobicContact CG-CD1 3.95Å; L384-I388 HydrophobicContact CG-CG1 4.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.37Å; L384-I388 PolarHBondContact O-N 2.88Å; G385-I388 PolarHBondContact O-N 3.46Å; I388-C390 VanDerWaalsContact C-N 3.31Å; I388-C390 PolarHBondContact O-N 2.83Å; I388-C391 PolarHBondContact O-N 3.45Å; I388-R392 PolarHBondContact O-N 2.91Å; I388-V465 HydrophobicContact CG2-CG1 4.35Å; I388-V468 HydrophobicContact CD1-CG1 3.85Å; I388-V468 HydrophobicContact CG1-CG1 3.98Å; I388-S469 WeakPolarHBondContact CG2-OG 3.45Å; I388-L487 HydrophobicContact CG1-CD1 4.26Å |
| 389 | A | 90.3 | Very high | 89.3 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 50% | 0.496 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G385 A386 R392 Q393 | G385-A389 WeakPolarHBondContact O-CB 3.3Å; G385-A389 PolarHBondContact O-N 2.93Å; A386-A389 PolarHBondContact O-N 3.31Å; A389-R392 PolarHBondContact O-N 3.24Å; A389-Q393 PolarHBondContact O-N 2.82Å; A389-Q393 VanDerWaalsContact O-N 3.08Å |
| 390 | C | 91.6 | Very high | 89.7 | Confident | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | A378 A386 S387 I388 R392 Q393 L394 | A378-C390 HydrophobicContact CB-CB 3.53Å; A378-C390 VanDerWaalsContact CB-SG 3.52Å; A386-C390 VanDerWaalsContact O-CB 3.3Å; A386-C390 WeakPolarHBondContact O-CB 3.36Å; A386-C390 PolarHBondContact O-N 3.17Å; S387-C390 PolarHBondContact O-N 3.41Å; I388-C390 VanDerWaalsContact C-N 3.31Å; I388-C390 PolarHBondContact O-N 2.83Å; C390-R392 VanDerWaalsContact C-N 3.34Å; C390-R392 PolarHBondContact O-N 2.88Å; C390-Q393 WeakPolarHBondContact O-CB 3.48Å; C390-Q393 PolarHBondContact O-N 3.02Å; C390-L394 WeakPolarHBondContact O-CB 3.44Å; C390-L394 PolarHBondContact O-N 2.93Å |
| 391 | C | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 179.1 | -70.5 | 0 | 0 | 0 | 0 | 112.8 | S387 I388 L394 V395 L461 V465 | S387-C391 WeakPolarHBondContact O-CB 3.41Å; S387-C391 PolarHBondContact O-N 3.38Å; S387-C391 PolarHBondContact O-SG 3.17Å; I388-C391 PolarHBondContact O-N 3.45Å; C391-L394 WeakPolarHBondContact O-CB 3.31Å; C391-L394 PolarHBondContact O-N 3.27Å; C391-V395 WeakPolarHBondContact O-CG2 3.49Å; C391-V395 PolarHBondContact O-N 3.38Å; C391-L461 HydrophobicContact CB-CD1 4.11Å; C391-V465 HydrophobicContact CB-CG2 3.38Å |
| 392 | R | 93.6 | Very high | 91.2 | Very high | 115 Ų | 115 | 45.9 Ų | 45.9 | 43% | 0.434 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 173.3 | -77.2 | -176.4 | 164.9 | 147.7 | -2.7 | 112 | I388 A389 C390 L394 V395 S396 V465 E466 S469 | I388-R392 PolarHBondContact O-N 2.91Å; A389-R392 PolarHBondContact O-N 3.24Å; C390-R392 VanDerWaalsContact C-N 3.34Å; C390-R392 PolarHBondContact O-N 2.88Å; R392-L394 VanDerWaalsContact C-N 3.34Å; R392-V395 PolarHBondContact O-N 2.89Å; R392-S396 PolarHBondContact O-N 3.45Å; R392-V465 HydrophobicContact CG-CG1 3.45Å; R392-V465 VanDerWaalsContact CG-CG1 3.45Å; R392-E466 IonicContact CZ-OE1 2.79Å; R392-E466 IonicContact NE-OE1 2.61Å; R392-E466 PolarHBondContact NE-OE1 2.74Å; R392-E466 IonicContact NH2-OE1 3.3Å; R392-E466 PolarHBondContact NH2-OE1 2.97Å; R392-E466 IonicContact NH2-OE2 3.76Å; R392-S469 PolarHBondContact NH2-OG 2.82Å; R392-S469 VanDerWaalsContact NH2-OG 3.08Å |
| 393 | Q | 92.6 | Very high | 92 | Very high | 94 Ų | 94 | 41.6 Ų | 41.6 | 44% | 0.439 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.1 | -175.6 | 178.8 | -3.9 | 0 | 0 | 111.4 | A389 C390 V395 S396 T397 | A389-Q393 PolarHBondContact O-N 2.82Å; A389-Q393 VanDerWaalsContact O-N 3.08Å; C390-Q393 WeakPolarHBondContact O-CB 3.48Å; C390-Q393 PolarHBondContact O-N 3.02Å; Q393-V395 PolarHBondContact O-N 3.33Å; Q393-S396 PolarHBondContact O-N 3.12Å; Q393-T397 WeakPolarHBondContact O-CB 3.27Å; Q393-T397 PolarHBondContact O-N 2.89Å; Q393-T397 PolarHBondContact O-OG1 3.29Å |
| 394 | L | 94.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.5 | -48 | 176.4 | 174.3 | 59.4 | 0 | 0 | 0 | 111.1 | L371 C390 C391 R392 S396 T397 A398 L461 A491 L495 | L371-L394 HydrophobicContact CD1-CD1 4.01Å; L371-L394 HydrophobicContact CD2-CD1 3.63Å; L371-L394 HydrophobicContact CG-CD1 3.93Å; C390-L394 WeakPolarHBondContact O-CB 3.44Å; C390-L394 PolarHBondContact O-N 2.93Å; C391-L394 WeakPolarHBondContact O-CB 3.31Å; C391-L394 PolarHBondContact O-N 3.27Å; R392-L394 VanDerWaalsContact C-N 3.34Å; L394-S396 PolarHBondContact O-N 2.82Å; L394-T397 PolarHBondContact O-N 3.4Å; L394-A398 HydrophobicContact CD1-CB 4.45Å; L394-A398 WeakPolarHBondContact O-CB 3.49Å; L394-A398 PolarHBondContact O-N 3.01Å; L394-L461 HydrophobicContact CD2-CD2 3.82Å; L394-L461 HydrophobicContact CG-CD2 4.17Å; L394-A491 HydrophobicContact CD2-CB 3.47Å; L394-A491 VanDerWaalsContact CD2-CB 3.47Å; L394-L495 HydrophobicContact CD1-CD2 3.75Å; L394-L495 HydrophobicContact CD1-CG 4.34Å |
| 395 | V | 94.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.5 | -51.1 | 177.8 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | C391 R392 Q393 T397 I399 L458 L461 | C391-V395 WeakPolarHBondContact O-CG2 3.49Å; C391-V395 PolarHBondContact O-N 3.38Å; R392-V395 PolarHBondContact O-N 2.89Å; Q393-V395 PolarHBondContact O-N 3.33Å; V395-T397 VanDerWaalsContact C-N 3.33Å; V395-T397 PolarHBondContact O-N 3.11Å; V395-I399 HydrophobicContact CG1-CD1 4.16Å; V395-I399 VanDerWaalsContact O-CG1 3.31Å; V395-I399 WeakPolarHBondContact O-CG1 3.31Å; V395-I399 PolarHBondContact O-N 3.45Å; V395-L458 HydrophobicContact CB-CD1 4.29Å; V395-L458 HydrophobicContact CG1-CD1 4.08Å; V395-L458 HydrophobicContact CG2-CD1 4.16Å; V395-L461 HydrophobicContact CG2-CD2 3.79Å; V395-L461 HydrophobicContact CG2-CG 4.06Å |
| 396 | S | 93.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -39.9 | -180 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | R392 Q393 L394 K400 | R392-S396 PolarHBondContact O-N 3.45Å; Q393-S396 PolarHBondContact O-N 3.12Å; L394-S396 PolarHBondContact O-N 2.82Å; S396-K400 WeakPolarHBondContact O-CG 3.42Å; S396-K400 PolarHBondContact O-N 2.87Å |
| 397 | T | 94.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.8 | -40.2 | -176.9 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | L371 Q393 L394 V395 K400 L401 | L371-T397 HydrophobicContact CD1-CG2 4.15Å; L371-T397 HydrophobicContact CD2-CG2 4.33Å; Q393-T397 WeakPolarHBondContact O-CB 3.27Å; Q393-T397 PolarHBondContact O-N 2.89Å; Q393-T397 PolarHBondContact O-OG1 3.29Å; L394-T397 PolarHBondContact O-N 3.4Å; V395-T397 VanDerWaalsContact C-N 3.33Å; V395-T397 PolarHBondContact O-N 3.11Å; T397-K400 PolarHBondContact O-N 3.45Å; T397-L401 VanDerWaalsContact O-CB 3.31Å; T397-L401 WeakPolarHBondContact O-CB 3.44Å; T397-L401 PolarHBondContact O-N 2.89Å |
| 398 | A | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L394 K400 L401 H402 F454 L458 V494 L498 | L394-A398 HydrophobicContact CD1-CB 4.45Å; L394-A398 WeakPolarHBondContact O-CB 3.49Å; L394-A398 PolarHBondContact O-N 3.01Å; A398-K400 PolarHBondContact O-N 2.79Å; A398-L401 PolarHBondContact O-N 3.49Å; A398-H402 VanDerWaalsContact O-CB 3.23Å; A398-H402 WeakPolarHBondContact O-CB 3.29Å; A398-H402 PolarHBondContact O-N 3.35Å; A398-F454 HydrophobicContact CB-CE2 4.15Å; A398-F454 HydrophobicContact CB-CZ 4.09Å; A398-L458 HydrophobicContact CB-CD1 4.23Å; A398-V494 HydrophobicContact CB-CG1 3.87Å; A398-L498 HydrophobicContact CB-CD1 3.84Å |
| 399 | I | 95.9 | Very high | 93.8 | Very high | 93 Ų | 93 | 44.4 Ų | 44.4 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 176 | -67.3 | 165.6 | 0 | 0 | 0 | 110.9 | V395 L401 G403 L458 | V395-I399 HydrophobicContact CG1-CD1 4.16Å; V395-I399 VanDerWaalsContact O-CG1 3.31Å; V395-I399 WeakPolarHBondContact O-CG1 3.31Å; V395-I399 PolarHBondContact O-N 3.45Å; I399-L401 VanDerWaalsContact C-N 3.34Å; I399-L401 PolarHBondContact O-N 3.37Å; I399-G403 PolarHBondContact O-N 3.11Å; I399-L458 HydrophobicContact CD1-CD2 4.02Å; I399-L458 HydrophobicContact CG1-CD2 3.53Å |
| 400 | K | 95.7 | Very high | 93.6 | Very high | 148 Ų | 148 | 45 Ų | 45 | 64% | 0.643 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 179.1 | -70.2 | 172.2 | -176.5 | 169 | 0 | 111.4 | S396 T397 A398 S404 | S396-K400 WeakPolarHBondContact O-CG 3.42Å; S396-K400 PolarHBondContact O-N 2.87Å; T397-K400 PolarHBondContact O-N 3.45Å; A398-K400 PolarHBondContact O-N 2.79Å; K400-S404 WeakPolarHBondContact O-CB 3.47Å; K400-S404 PolarHBondContact O-N 2.94Å |
| 401 | L | 95.2 | Very high | 93.3 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.3 | -42.9 | -178.3 | -168.4 | 57.5 | 0 | 0 | 0 | 111.9 | T364 L368 T397 A398 I399 G403 S404 I405 L498 | T364-L401 HydrophobicContact CG2-CD1 3.99Å; L368-L401 HydrophobicContact CD2-CD2 3.41Å; L368-L401 VanDerWaalsContact CD2-CD2 3.41Å; L368-L401 HydrophobicContact CD2-CG 4.5Å; L368-L401 HydrophobicContact CG-CD2 3.87Å; T397-L401 VanDerWaalsContact O-CB 3.31Å; T397-L401 WeakPolarHBondContact O-CB 3.44Å; T397-L401 PolarHBondContact O-N 2.89Å; A398-L401 PolarHBondContact O-N 3.49Å; I399-L401 VanDerWaalsContact C-N 3.34Å; I399-L401 PolarHBondContact O-N 3.37Å; L401-G403 PolarHBondContact O-N 3.33Å; L401-S404 WeakPolarHBondContact O-CB 3.21Å; L401-S404 PolarHBondContact O-N 3.36Å; L401-S404 VanDerWaalsContact O-N 3.16Å; L401-I405 HydrophobicContact CG-CD1 4.13Å; L401-I405 VanDerWaalsContact O-CG1 3.27Å; L401-I405 WeakPolarHBondContact O-CG1 3.41Å; L401-I405 PolarHBondContact O-N 2.86Å; L401-L498 HydrophobicContact CD2-CD1 4.47Å |
| 402 | H | 96.5 | Very high | 93 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.102 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.2 | -49.9 | 172.7 | -178.2 | -102.6 | 0 | 0 | 0 | 111.3 | A398 S404 I405 L406 F454 L498 L501 | A398-H402 VanDerWaalsContact O-CB 3.23Å; A398-H402 WeakPolarHBondContact O-CB 3.29Å; A398-H402 PolarHBondContact O-N 3.35Å; H402-S404 VanDerWaalsContact C-N 3.32Å; H402-S404 PolarHBondContact O-N 2.91Å; H402-I405 PolarHBondContact O-N 3.13Å; H402-L406 VanDerWaalsContact CE1-CD1 3.4Å; H402-L406 WeakPolarHBondContact CE1-CD1 3.32Å; H402-L406 WeakPolarHBondContact O-CG 3.46Å; H402-L406 PolarHBondContact O-N 3.37Å; H402-F454 HydrophobicContact CB-CD1 4.28Å; H402-F454 HydrophobicContact CB-CE1 3.67Å; H402-F454 HydrophobicContact CB-CE2 4.3Å; H402-F454 HydrophobicContact CB-CZ 3.68Å; H402-F454 AromaticContact CD2-CD1 3.54Å; H402-F454 AromaticContact CD2-CE1 3.86Å; H402-F454 AromaticContact CD2-CG 3.74Å; H402-F454 AromaticContact CE1-CD1 3.88Å; H402-F454 AromaticContact CG-CD1 3.67Å; H402-F454 AromaticContact CG-CE1 3.52Å; H402-F454 AromaticContact CG-CZ 3.99Å; H402-F454 AromaticContact ND1-CD1 3.88Å; H402-F454 AromaticContact ND1-CE1 3.82Å; H402-F454 AromaticContact NE2-CD1 3.74Å; H402-L498 HydrophobicContact CB-CD2 3.79Å; H402-L501 WeakPolarHBondContact CD2-CD2 3.38Å |
| 403 | G | 94.9 | Very high | 92.5 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I399 L401 G407 | I399-G403 PolarHBondContact O-N 3.11Å; L401-G403 PolarHBondContact O-N 3.33Å; G403-G407 PolarHBondContact O-N 3.44Å |
| 404 | S | 94.5 | Very high | 92.2 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | K400 L401 H402 G407 Q408 | K400-S404 WeakPolarHBondContact O-CB 3.47Å; K400-S404 PolarHBondContact O-N 2.94Å; L401-S404 WeakPolarHBondContact O-CB 3.21Å; L401-S404 PolarHBondContact O-N 3.36Å; L401-S404 VanDerWaalsContact O-N 3.16Å; H402-S404 VanDerWaalsContact C-N 3.32Å; H402-S404 PolarHBondContact O-N 2.91Å; S404-G407 PolarHBondContact O-N 3.29Å; S404-Q408 WeakPolarHBondContact O-CG 3.28Å; S404-Q408 PolarHBondContact O-N 3.42Å; S404-Q408 VanDerWaalsContact O-N 3.1Å |
| 405 | I | 95.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.5 | -51 | 177.6 | -72.8 | 162 | 0 | 0 | 0 | 110.5 | T364 L401 H402 Q408 L498 L501 H502 L505 | T364-I405 HydrophobicContact CG2-CD1 3.9Å; T364-I405 HydrophobicContact CG2-CG1 3.53Å; L401-I405 HydrophobicContact CG-CD1 4.13Å; L401-I405 VanDerWaalsContact O-CG1 3.27Å; L401-I405 WeakPolarHBondContact O-CG1 3.41Å; L401-I405 PolarHBondContact O-N 2.86Å; H402-I405 PolarHBondContact O-N 3.13Å; I405-Q408 WeakPolarHBondContact O-CB 3.14Å; I405-Q408 PolarHBondContact O-N 2.93Å; I405-L498 HydrophobicContact CD1-CD2 4.34Å; I405-L501 HydrophobicContact CB-CD2 4.35Å; I405-L501 HydrophobicContact CG2-CD2 3.8Å; I405-L501 HydrophobicContact CG2-CG 3.79Å; I405-H502 HydrophobicContact CD1-CB 4.28Å; I405-L505 HydrophobicContact CG2-CD1 3.37Å |
| 406 | L | 94.1 | Very high | 91.8 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177.9 | -66.8 | -179.1 | 0 | 0 | 0 | 111.8 | H402 Q408 F409 A410 L447 L501 | H402-L406 VanDerWaalsContact CE1-CD1 3.4Å; H402-L406 WeakPolarHBondContact CE1-CD1 3.32Å; H402-L406 WeakPolarHBondContact O-CG 3.46Å; H402-L406 PolarHBondContact O-N 3.37Å; L406-Q408 PolarHBondContact O-N 3.46Å; L406-F409 CarbonylContact O-C 3.34Å; L406-F409 PolarHBondContact O-N 3.48Å; L406-A410 PolarHBondContact O-N 3.34Å; L406-L447 HydrophobicContact CD2-CD1 3.67Å; L406-L501 HydrophobicContact CD2-CD1 4.15Å; L406-L501 HydrophobicContact CD2-CD2 4.16Å; L406-L501 HydrophobicContact CG-CD2 4.36Å |
| 407 | G | 92.4 | Very high | 91.7 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.2 | -31.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G403 S404 F409 A410 | G403-G407 PolarHBondContact O-N 3.44Å; S404-G407 PolarHBondContact O-N 3.29Å; G407-F409 PolarHBondContact O-N 3.48Å; G407-F409 VanDerWaalsContact O-N 3.17Å; G407-A410 PolarHBondContact O-N 3.24Å |
| 408 | Q | 90.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.3 | 174.8 | -71 | 172.6 | 49.6 | 0 | 0 | 112.7 | K357 T364 S404 I405 L406 | K357-Q408 PolarHBondContact NZ-O 2.89Å; T364-Q408 PolarHBondContact OG1-NE2 3.46Å; S404-Q408 WeakPolarHBondContact O-CG 3.28Å; S404-Q408 PolarHBondContact O-N 3.42Å; S404-Q408 VanDerWaalsContact O-N 3.1Å; I405-Q408 WeakPolarHBondContact O-CB 3.14Å; I405-Q408 PolarHBondContact O-N 2.93Å; L406-Q408 PolarHBondContact O-N 3.46Å |
| 409 | F | 90.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 14 | -176.5 | -69.9 | -94 | 0 | 0 | 0 | 113.8 | K357 M361 L406 G407 H411 S412 L416 L505 Y509 | K357-F409 VanDerWaalsContact NZ-CD1 3.29Å; K357-F409 VanDerWaalsContact NZ-CE1 3.28Å; M361-F409 HydrophobicContact CE-CE1 4.2Å; M361-F409 HydrophobicContact CE-CE2 3.81Å; M361-F409 HydrophobicContact CE-CZ 3.25Å; L406-F409 CarbonylContact O-C 3.34Å; L406-F409 PolarHBondContact O-N 3.48Å; G407-F409 PolarHBondContact O-N 3.48Å; G407-F409 VanDerWaalsContact O-N 3.17Å; F409-H411 PolarHBondContact O-N 2.79Å; F409-S412 WeakPolarHBondContact O-CB 3.22Å; F409-S412 PolarHBondContact O-N 3.16Å; F409-L416 HydrophobicContact CB-CD2 3.66Å; F409-L416 HydrophobicContact CD1-CD1 4.11Å; F409-L416 HydrophobicContact CG-CD2 4.35Å; F409-L505 HydrophobicContact CD2-CB 4.11Å; F409-L505 HydrophobicContact CD2-CD1 3.92Å; F409-L505 HydrophobicContact CD2-CD2 4.31Å; F409-L505 HydrophobicContact CD2-CG 4.36Å; F409-L505 HydrophobicContact CE2-CB 3.54Å; F409-L505 HydrophobicContact CE2-CD1 4.11Å; F409-L505 HydrophobicContact CE2-CG 4.28Å; F409-L505 HydrophobicContact CG-CD2 4.41Å; F409-L505 HydrophobicContact CZ-CB 3.78Å; F409-L505 VanDerWaalsContact CZ-O 3.22Å; F409-L505 WeakPolarHBondContact CZ-O 3.45Å; F409-Y509 HydrophobicContact CE1-CD2 4.41Å |
| 410 | A | 86.9 | Confident | 91.6 | Very high | 73 Ų | 73 | 53.9 Ų | 53.9 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | L406 G407 | L406-A410 PolarHBondContact O-N 3.34Å; G407-A410 PolarHBondContact O-N 3.24Å |
| 411 | H | 85.4 | Confident | 91.6 | Very high | 189 Ų | 189 | 52.2 Ų | 52.2 | 88% | 0.875 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -12.1 | -180 | -58.3 | -34.6 | 0 | 0 | 0 | 114.6 | F409 | F409-H411 PolarHBondContact O-N 2.79Š|
| 412 | S | 86.4 | Confident | 91.6 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 11% | 0.105 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -77.1 | -24.9 | -176.4 | -61 | 0 | 0 | 0 | 0 | 113.2 | F409 K415 | F409-S412 WeakPolarHBondContact O-CB 3.22Å; F409-S412 PolarHBondContact O-N 3.16Å; S412-K415 PolarHBondContact O-N 2.8Å |
| 413 | G | 85 | Confident | 91.5 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -145.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K415 L416 | G413-K415 PolarHBondContact O-N 3.2Å; G413-L416 VanDerWaalsContact O-CB 3.29Å; G413-L416 WeakPolarHBondContact O-CB 3.47Å; G413-L416 PolarHBondContact O-N 3.39Å |
| 414 | D | 86.4 | Confident | 91.5 | Very high | 143 Ų | 143 | 53.5 Ų | 53.5 | 77% | 0.765 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -55.4 | -24.4 | -177.1 | -51.6 | -14 | 0 | 0 | 0 | 114.3 | L416 D417 A418 | D414-L416 PolarHBondContact O-N 3.38Å; D414-D417 PolarHBondContact O-N 3.01Å; D414-A418 PolarHBondContact O-N 2.83Å; D414-A418 VanDerWaalsContact O-N 3.12Å |
| 415 | K | 87.2 | Confident | 91.6 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 52% | 0.517 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.3 | -30.3 | 176.2 | -65.7 | -178.3 | 177.6 | -178.6 | 0 | 111.9 | S412 G413 L419 | S412-K415 PolarHBondContact O-N 2.8Å; G413-K415 PolarHBondContact O-N 3.2Å; K415-L419 VanDerWaalsContact O-CB 3.31Å; K415-L419 WeakPolarHBondContact O-CB 3.38Å; K415-L419 PolarHBondContact O-N 2.9Å |
| 416 | L | 91.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.4 | -46.4 | 175.5 | -173.4 | 64.7 | 0 | 0 | 0 | 110.7 | F409 G413 D414 A418 L419 T420 L447 L505 C508 | F409-L416 HydrophobicContact CB-CD2 3.66Å; F409-L416 HydrophobicContact CD1-CD1 4.11Å; F409-L416 HydrophobicContact CG-CD2 4.35Å; G413-L416 VanDerWaalsContact O-CB 3.29Å; G413-L416 WeakPolarHBondContact O-CB 3.47Å; G413-L416 PolarHBondContact O-N 3.39Å; D414-L416 PolarHBondContact O-N 3.38Å; L416-A418 PolarHBondContact O-N 3.19Å; L416-L419 PolarHBondContact O-N 3.44Å; L416-L419 VanDerWaalsContact O-N 3.15Å; L416-T420 HydrophobicContact CD1-CG2 4.49Å; L416-T420 HydrophobicContact CG-CG2 4.42Å; L416-T420 WeakPolarHBondContact O-CG2 3.47Å; L416-T420 PolarHBondContact O-N 2.88Å; L416-T420 PolarHBondContact O-OG1 2.99Å; L416-L447 HydrophobicContact CD2-CD2 3.96Å; L416-L447 HydrophobicContact CG-CD2 4.41Å; L416-L505 HydrophobicContact CD1-CD2 3.84Å; L416-L505 HydrophobicContact CD2-CD2 3.95Å; L416-L505 HydrophobicContact CG-CD2 4.2Å; L416-C508 HydrophobicContact CD1-CB 4.05Å |
| 417 | D | 92.5 | Very high | 91.5 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.9 | -53.3 | 179.3 | -65.8 | -59.1 | 0 | 0 | 0 | 110.4 | D414 L419 T420 E421 L447 | D414-D417 PolarHBondContact O-N 3.01Å; D417-L419 VanDerWaalsContact C-N 3.26Å; D417-L419 PolarHBondContact O-N 3.13Å; D417-T420 PolarHBondContact O-N 3.17Å; D417-T420 VanDerWaalsContact O-N 3.12Å; D417-T420 PolarHBondContact O-OG1 3.18Å; D417-E421 WeakPolarHBondContact O-CG 3.41Å; D417-E421 PolarHBondContact O-N 3.29Å; D417-L447 WeakPolarHBondContact OD1-CB 3.29Å; D417-L447 VanDerWaalsContact OD1-CD2 3.29Å; D417-L447 WeakPolarHBondContact OD1-CD2 3.31Å |
| 418 | A | 92.3 | Very high | 91.5 | Very high | 45 Ų | 45 | 58 Ų | 58 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.2 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | D414 L416 Q422 | D414-A418 PolarHBondContact O-N 2.83Å; D414-A418 VanDerWaalsContact O-N 3.12Å; L416-A418 PolarHBondContact O-N 3.19Å; A418-Q422 WeakPolarHBondContact O-CG 3.38Å; A418-Q422 PolarHBondContact O-N 3.12Å; A418-Q422 VanDerWaalsContact O-N 3.08Å |
| 419 | L | 93.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.3 | -36.4 | 179.2 | -171.9 | 64.7 | 0 | 0 | 0 | 112.3 | C346 K415 L416 D417 Q422 L423 C508 V511 | C346-L419 HydrophobicContact CB-CD2 4.39Å; K415-L419 VanDerWaalsContact O-CB 3.31Å; K415-L419 WeakPolarHBondContact O-CB 3.38Å; K415-L419 PolarHBondContact O-N 2.9Å; L416-L419 PolarHBondContact O-N 3.44Å; L416-L419 VanDerWaalsContact O-N 3.15Å; D417-L419 VanDerWaalsContact C-N 3.26Å; D417-L419 PolarHBondContact O-N 3.13Å; L419-Q422 PolarHBondContact O-N 3Å; L419-L423 HydrophobicContact CG-CD1 4.4Å; L419-L423 WeakPolarHBondContact O-CB 3.5Å; L419-L423 WeakPolarHBondContact O-CG 3.49Å; L419-L423 PolarHBondContact O-N 3.19Å; L419-C508 HydrophobicContact CD2-CB 3.85Å; L419-C508 VanDerWaalsContact CD2-O 3.28Å; L419-C508 WeakPolarHBondContact CD2-O 3.17Å; L419-C508 HydrophobicContact CG-CB 4.41Å; L419-V511 HydrophobicContact CD1-CB 4.46Å; L419-V511 HydrophobicContact CD1-CG1 3.84Å |
| 420 | T | 95.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 174.2 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | L416 D417 L423 S424 L447 T504 C508 | L416-T420 HydrophobicContact CD1-CG2 4.49Å; L416-T420 HydrophobicContact CG-CG2 4.42Å; L416-T420 WeakPolarHBondContact O-CG2 3.47Å; L416-T420 PolarHBondContact O-N 2.88Å; L416-T420 PolarHBondContact O-OG1 2.99Å; D417-T420 PolarHBondContact O-N 3.17Å; D417-T420 VanDerWaalsContact O-N 3.12Å; D417-T420 PolarHBondContact O-OG1 3.18Å; T420-L423 PolarHBondContact O-N 3.09Å; T420-S424 WeakPolarHBondContact O-CB 3.44Å; T420-S424 PolarHBondContact O-N 3.47Å; T420-L447 HydrophobicContact CG2-CB 4.18Å; T420-L447 PolarHBondContact OG1-N 3.07Å; T420-T504 HydrophobicContact CG2-CG2 4.06Å; T420-C508 WeakPolarHBondContact CG2-SG 3.26Å |
| 421 | E | 95.9 | Very high | 91.2 | Very high | 112 Ų | 112 | 65.5 Ų | 65.5 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 173.3 | -71.6 | 179.5 | 175.8 | 0 | 0 | 111.5 | D417 L423 S424 L425 | D417-E421 WeakPolarHBondContact O-CG 3.41Å; D417-E421 PolarHBondContact O-N 3.29Å; E421-L423 VanDerWaalsContact C-N 3.35Å; E421-L423 PolarHBondContact O-N 3.36Å; E421-S424 WeakPolarHBondContact O-CB 3.48Å; E421-S424 PolarHBondContact O-N 3.04Å; E421-L425 WeakPolarHBondContact O-CG 3.5Å; E421-L425 PolarHBondContact O-N 2.71Å |
| 422 | Q | 94.8 | Very high | 91.2 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 43% | 0.425 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.4 | -75 | -179.7 | -0.7 | 0 | 0 | 112.5 | A418 L419 L425 W426 | A418-Q422 WeakPolarHBondContact O-CG 3.38Å; A418-Q422 PolarHBondContact O-N 3.12Å; A418-Q422 VanDerWaalsContact O-N 3.08Å; L419-Q422 PolarHBondContact O-N 3Å; Q422-L425 PolarHBondContact O-N 3.04Å; Q422-W426 HydrophobicContact CB-CH2 4.5Å; Q422-W426 HydrophobicContact CB-CZ2 4.41Å; Q422-W426 PolarHBondContact O-N 3.02Å; Q422-W426 VanDerWaalsContact O-N 3.07Å |
| 423 | L | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.8 | -79.8 | 166.9 | 0 | 0 | 0 | 112.3 | Y241 L242 L419 T420 E421 L425 W426 F427 V444 H507 C508 V511 | Y241-L423 HydrophobicContact CE2-CD2 3.64Å; L242-L423 HydrophobicContact CD2-CD2 4.43Å; L419-L423 HydrophobicContact CG-CD1 4.4Å; L419-L423 WeakPolarHBondContact O-CB 3.5Å; L419-L423 WeakPolarHBondContact O-CG 3.49Å; L419-L423 PolarHBondContact O-N 3.19Å; T420-L423 PolarHBondContact O-N 3.09Å; E421-L423 VanDerWaalsContact C-N 3.35Å; E421-L423 PolarHBondContact O-N 3.36Å; L423-L425 VanDerWaalsContact C-N 3.34Å; L423-W426 HydrophobicContact CD2-CE3 4.02Å; L423-W426 HydrophobicContact CD2-CZ3 4.19Å; L423-W426 PolarHBondContact O-N 3.05Å; L423-F427 VanDerWaalsContact O-CB 3.29Å; L423-F427 WeakPolarHBondContact O-CB 3.44Å; L423-F427 PolarHBondContact O-N 2.64Å; L423-V444 HydrophobicContact CB-CG1 3.92Å; L423-H507 HydrophobicContact CD1-CB 4.29Å; L423-H507 HydrophobicContact CD2-CB 4.49Å; L423-C508 HydrophobicContact CD1-CB 4.15Å; L423-C508 WeakPolarHBondContact CD1-SG 3.43Å; L423-V511 HydrophobicContact CD2-CG2 3.95Å |
| 424 | S | 95.4 | Very high | 90.7 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 11% | 0.112 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 174.3 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | T420 E421 W426 F427 D428 Q445 | T420-S424 WeakPolarHBondContact O-CB 3.44Å; T420-S424 PolarHBondContact O-N 3.47Å; E421-S424 WeakPolarHBondContact O-CB 3.48Å; E421-S424 PolarHBondContact O-N 3.04Å; S424-W426 PolarHBondContact O-N 2.84Å; S424-F427 PolarHBondContact O-N 3.24Å; S424-D428 VanDerWaalsContact O-CG 3.24Å; S424-D428 PolarHBondContact O-N 2.94Å; S424-Q445 WeakPolarHBondContact OG-CA 3.4Å |
| 425 | L | 95.9 | Very high | 89.7 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 53% | 0.534 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 179.7 | -70 | 169.6 | 0 | 0 | 0 | 112.1 | E421 Q422 L423 Q429 | E421-L425 WeakPolarHBondContact O-CG 3.5Å; E421-L425 PolarHBondContact O-N 2.71Å; Q422-L425 PolarHBondContact O-N 3.04Å; L423-L425 VanDerWaalsContact C-N 3.34Å; L425-Q429 WeakPolarHBondContact O-CB 3.22Å; L425-Q429 WeakPolarHBondContact O-CG 3.19Å; L425-Q429 PolarHBondContact O-N 3.27Å |
| 426 | W | 94.8 | Very high | 88.2 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 177.8 | -63.1 | -24.7 | 0 | 0 | 0 | 112.5 | Y241 L242 P243 L246 Q422 L423 S424 R430 V511 | Y241-W426 HydrophobicContact CD2-CB 4.13Å; Y241-W426 WeakPolarHBondContact O-CB 3.19Å; L242-W426 HydrophobicContact CD2-CE3 4.03Å; L242-W426 HydrophobicContact CD2-CZ3 4.13Å; P243-W426 HydrophobicContact CG-CD2 4.29Å; P243-W426 HydrophobicContact CG-CH2 4.39Å; P243-W426 HydrophobicContact CG-CZ2 3.99Å; L246-W426 HydrophobicContact CD1-CH2 3.4Å; L246-W426 HydrophobicContact CD1-CZ2 4.16Å; L246-W426 HydrophobicContact CD1-CZ3 3.73Å; Q422-W426 HydrophobicContact CB-CH2 4.5Å; Q422-W426 HydrophobicContact CB-CZ2 4.41Å; Q422-W426 PolarHBondContact O-N 3.02Å; Q422-W426 VanDerWaalsContact O-N 3.07Å; L423-W426 HydrophobicContact CD2-CE3 4.02Å; L423-W426 HydrophobicContact CD2-CZ3 4.19Å; L423-W426 PolarHBondContact O-N 3.05Å; S424-W426 PolarHBondContact O-N 2.84Å; W426-R430 WeakPolarHBondContact O-CB 3.24Å; W426-R430 PolarHBondContact O-N 2.86Å; W426-V511 HydrophobicContact CZ3-CG1 4.28Å |
| 427 | F | 92.9 | Very high | 86.2 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 9% | 0.088 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 176.5 | -179.9 | -93 | 0 | 0 | 0 | 111.9 | Y241 L423 S424 R430 S431 R443 V444 | Y241-F427 AromaticContact CD1-CD2 3.82Å; Y241-F427 HydrophobicContact CD1-CD2 3.82Å; Y241-F427 HydrophobicContact CD2-CB 4.03Å; Y241-F427 AromaticContact CE1-CD2 3.94Å; Y241-F427 HydrophobicContact CE1-CD2 3.94Å; Y241-F427 HydrophobicContact CE2-CB 4.21Å; Y241-F427 HydrophobicContact CG-CB 4.28Å; Y241-F427 HydrophobicContact CG-CD2 4.14Å; L423-F427 VanDerWaalsContact O-CB 3.29Å; L423-F427 WeakPolarHBondContact O-CB 3.44Å; L423-F427 PolarHBondContact O-N 2.64Å; S424-F427 PolarHBondContact O-N 3.24Å; F427-R430 PolarHBondContact O-N 2.91Å; F427-S431 WeakPolarHBondContact O-CB 3.09Å; F427-S431 PolarHBondContact O-N 2.87Å; F427-S431 PolarHBondContact O-OG 2.77Å; F427-R443 HydrophobicContact CE1-CB 4.04Å; F427-R443 HydrophobicContact CZ-CB 4.15Å; F427-V444 HydrophobicContact CB-CB 3.9Å; F427-V444 HydrophobicContact CB-CG1 4.28Å; F427-V444 HydrophobicContact CD1-CB 4.17Å; F427-V444 HydrophobicContact CD2-CB 3.73Å; F427-V444 HydrophobicContact CD2-CG2 3.69Å; F427-V444 HydrophobicContact CE2-CB 4.23Å; F427-V444 HydrophobicContact CE2-CG2 3.96Å; F427-V444 HydrophobicContact CG-CB 3.68Å; F427-V444 HydrophobicContact CG-CG2 4.19Å |
| 428 | D | 91.8 | Very high | 84.4 | Confident | 72 Ų | 72 | 74 Ų | 74 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 179.3 | -66.7 | -28.8 | 0 | 0 | 0 | 111.4 | S424 R430 S431 A432 | S424-D428 VanDerWaalsContact O-CG 3.24Å; S424-D428 PolarHBondContact O-N 2.94Å; D428-R430 VanDerWaalsContact C-N 3.29Å; D428-R430 PolarHBondContact O-N 2.85Å; D428-S431 PolarHBondContact O-N 2.97Å; D428-A432 VanDerWaalsContact O-CB 3.31Å; D428-A432 WeakPolarHBondContact O-CB 3.27Å; D428-A432 PolarHBondContact O-N 2.81Å |
| 429 | Q | 90.7 | Very high | 82.5 | Confident | 129 Ų | 129 | 78.3 Ų | 78.3 | 60% | 0.603 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.4 | -41.8 | 175.1 | -75.8 | 170.7 | 9.8 | 0 | 0 | 112.1 | L425 A433 | L425-Q429 WeakPolarHBondContact O-CB 3.22Å; L425-Q429 WeakPolarHBondContact O-CG 3.19Å; L425-Q429 PolarHBondContact O-N 3.27Å; Q429-A433 PolarHBondContact O-N 3.22Å |
| 430 | R | 87.3 | Confident | 81.1 | Confident | 121 Ų | 121 | 80.6 Ų | 80.6 | 46% | 0.457 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 179.1 | -171.2 | 70.6 | -162.9 | -167.8 | 7.4 | 112 | W426 F427 D428 A432 A433 D434 | W426-R430 WeakPolarHBondContact O-CB 3.24Å; W426-R430 PolarHBondContact O-N 2.86Å; F427-R430 PolarHBondContact O-N 2.91Å; D428-R430 VanDerWaalsContact C-N 3.29Å; D428-R430 PolarHBondContact O-N 2.85Å; R430-A432 VanDerWaalsContact C-N 3.31Å; R430-A432 PolarHBondContact O-N 3Å; R430-A433 WeakPolarHBondContact O-CB 3.49Å; R430-A433 PolarHBondContact O-N 3.1Å; R430-D434 IonicContact CZ-OD1 2.81Å; R430-D434 IonicContact CZ-OD2 3.02Å; R430-D434 IonicContact NE-OD1 3.09Å; R430-D434 IonicContact NE-OD2 3.87Å; R430-D434 PolarHBondContact NE-OD2 2.86Å; R430-D434 IonicContact NH2-OD1 3.44Å; R430-D434 PolarHBondContact NH2-OD1 2.92Å; R430-D434 VanDerWaalsContact NH2-OD1 3.12Å; R430-D434 IonicContact NH2-OD2 3.95Å; R430-D434 PolarHBondContact NH2-OD2 2.94Å; R430-D434 PolarHBondContact O-N 3.42Å |
| 431 | S | 84.7 | Confident | 80.3 | Confident | 39 Ų | 39 | 82.2 Ų | 82.2 | 27% | 0.273 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 178.9 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | F427 D428 A433 C435 | F427-S431 WeakPolarHBondContact O-CB 3.09Å; F427-S431 PolarHBondContact O-N 2.87Å; F427-S431 PolarHBondContact O-OG 2.77Å; D428-S431 PolarHBondContact O-N 2.97Å; S431-A433 VanDerWaalsContact C-N 3.28Å; S431-A433 PolarHBondContact O-N 2.96Å; S431-C435 PolarHBondContact O-N 3.42Å |
| 432 | A | 84.5 | Confident | 79.9 | Confident | 78 Ų | 78 | 77.8 Ų | 77.8 | 65% | 0.645 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.8 | -30.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D428 R430 | D428-A432 VanDerWaalsContact O-CB 3.31Å; D428-A432 WeakPolarHBondContact O-CB 3.27Å; D428-A432 PolarHBondContact O-N 2.81Å; R430-A432 VanDerWaalsContact C-N 3.31Å; R430-A432 PolarHBondContact O-N 3Å |
| 433 | A | 82.8 | Confident | 79.7 | Confident | 73 Ų | 73 | 78 Ų | 78 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -79.3 | -36.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q429 R430 S431 | Q429-A433 PolarHBondContact O-N 3.22Å; R430-A433 WeakPolarHBondContact O-CB 3.49Å; R430-A433 PolarHBondContact O-N 3.1Å; S431-A433 VanDerWaalsContact C-N 3.28Å; S431-A433 PolarHBondContact O-N 2.96Å |
| 434 | D | 77.7 | Confident | 79.6 | Confident | 73 Ų | 73 | 78.1 Ų | 78.1 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -84.9 | -14.2 | -173.8 | -71.4 | -29.7 | 0 | 0 | 0 | 113.1 | R430 I436 | R430-D434 IonicContact CZ-OD1 2.81Å; R430-D434 IonicContact CZ-OD2 3.02Å; R430-D434 IonicContact NE-OD1 3.09Å; R430-D434 IonicContact NE-OD2 3.87Å; R430-D434 PolarHBondContact NE-OD2 2.86Å; R430-D434 IonicContact NH2-OD1 3.44Å; R430-D434 PolarHBondContact NH2-OD1 2.92Å; R430-D434 VanDerWaalsContact NH2-OD1 3.12Å; R430-D434 IonicContact NH2-OD2 3.95Å; R430-D434 PolarHBondContact NH2-OD2 2.94Å; R430-D434 PolarHBondContact O-N 3.42Å; D434-I436 HydrophobicContact CB-CD1 4.18Å; D434-I436 HydrophobicContact CB-CG1 4.47Å; D434-I436 WeakPolarHBondContact O-CG1 3.46Å; D434-I436 PolarHBondContact O-N 3.33Å |
| 435 | C | 66.4 | Low | 79.6 | Confident | 118 Ų | 118 | 77.4 Ų | 77.4 | 80% | 0.797 | 43% | 0.432 | S | S | * | . | trans | 51.5 | 25.2 | -179.3 | -67.9 | 0 | 0 | 0 | 0 | 114.8 | S431 | S431-C435 PolarHBondContact O-N 3.42Š| ||
| 436 | I | 55.6 | Low | 79.6 | Confident | 122 Ų | 122 | 73.9 Ų | 73.9 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -99 | 120.6 | -179.2 | -67.2 | 164 | 0 | 0 | 0 | 109.1 | D434 Q438 | D434-I436 HydrophobicContact CB-CD1 4.18Å; D434-I436 HydrophobicContact CB-CG1 4.47Å; D434-I436 WeakPolarHBondContact O-CG1 3.46Å; D434-I436 PolarHBondContact O-N 3.33Å; I436-Q438 PolarHBondContact O-N 2.85Å |
| 437 | E | 50.6 | Low | 79.6 | Confident | 188 Ų | 188 | 71.9 Ų | 71.9 | 88% | 0.879 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 116.6 | 162.5 | -74.7 | -175.8 | 165.1 | 0 | 0 | 108.7 | P439 | E437-P439 WeakPolarHBondContact O-CD 3.46Š|
| 438 | Q | 53.5 | Low | 79.6 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 42% | 0.416 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 120.1 | 177.4 | -73.3 | -173.8 | 3.8 | 0 | 0 | 110.1 | I436 S440 V442 | I436-Q438 PolarHBondContact O-N 2.85Å; Q438-S440 VanDerWaalsContact C-N 3.3Å; Q438-S440 PolarHBondContact O-N 3Å; Q438-V442 PolarHBondContact OE1-O 3.19Å; Q438-V442 VanDerWaalsContact OE1-O 3.09Å |
| 439 | P | 52.1 | Low | 79.9 | Confident | 136 Ų | 136 | 73.2 Ų | 73.2 | 88% | 0.883 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -16.7 | -170 | 25.5 | -32.8 | 0 | 0 | 0 | 114.6 | E437 | E437-P439 WeakPolarHBondContact O-CD 3.46Š|
| 440 | S | 64.8 | Low | 80.1 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -6.3 | -172.2 | 58.4 | 0 | 0 | 0 | 0 | 115.1 | Q438 V442 | Q438-S440 VanDerWaalsContact C-N 3.3Å; Q438-S440 PolarHBondContact O-N 3Å; S440-V442 PolarHBondContact O-N 3.36Å |
| 441 | G | 79 | Confident | 80.5 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | trans | 65.2 | -8.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I496 R497 | G441-I496 VanDerWaalsContact C-CG2 3.42Å; G441-I496 WeakPolarHBondContact O-CG2 3.32Å; G441-R497 PolarHBondContact O-NH2 2.88Å | ||
| 442 | V | 86.9 | Confident | 81.1 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 12% | 0.121 | 39% | 0.39 | C | S | . | . | trans | -72.4 | 123.9 | 178.4 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | Q438 S440 I496 E499 S500 L503 | Q438-V442 PolarHBondContact OE1-O 3.19Å; Q438-V442 VanDerWaalsContact OE1-O 3.09Å; S440-V442 PolarHBondContact O-N 3.36Å; V442-I496 HydrophobicContact CG2-CG2 4.44Å; V442-E499 HydrophobicContact CG2-CB 4.11Å; V442-S500 WeakPolarHBondContact CA-OG 3.26Å; V442-L503 HydrophobicContact CG1-CD2 3.64Å | ||
| 443 | R | 91.1 | Very high | 81.7 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 36% | 0.362 | 37% | 0.371 | S | S | . | . | trans | -134 | 160.7 | -177.4 | 62.7 | 177.4 | -82.7 | -163.1 | -9.5 | 112.8 | F427 Q445 S500 | F427-R443 HydrophobicContact CE1-CB 4.04Å; F427-R443 HydrophobicContact CZ-CB 4.15Å; R443-Q445 VanDerWaalsContact NE-OE1 3.09Å; R443-Q445 VanDerWaalsContact NH2-OE1 3.11Å; R443-S500 PolarHBondContact N-OG 2.89Å; R443-S500 VanDerWaalsContact N-OG 3.1Å; R443-S500 VanDerWaalsContact O-CB 3.27Å; R443-S500 WeakPolarHBondContact O-CB 3.34Å | ||
| 444 | V | 93.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | trans | -97.9 | 134.9 | 171.3 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | Y241 L423 F427 T504 | Y241-V444 HydrophobicContact CE1-CG2 4.11Å; Y241-V444 WeakPolarHBondContact OH-CG2 3.4Å; L423-V444 HydrophobicContact CB-CG1 3.92Å; F427-V444 HydrophobicContact CB-CB 3.9Å; F427-V444 HydrophobicContact CB-CG1 4.28Å; F427-V444 HydrophobicContact CD1-CB 4.17Å; F427-V444 HydrophobicContact CD2-CB 3.73Å; F427-V444 HydrophobicContact CD2-CG2 3.69Å; F427-V444 HydrophobicContact CE2-CB 4.23Å; F427-V444 HydrophobicContact CE2-CG2 3.96Å; F427-V444 HydrophobicContact CG-CB 3.68Å; F427-V444 HydrophobicContact CG-CG2 4.19Å; V444-T504 HydrophobicContact CG1-CG2 4.16Å | ||
| 445 | Q | 94.4 | Very high | 83.3 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | trans | -156.3 | 171.7 | -178.9 | 51.5 | -175.7 | 8 | 0 | 0 | 110.8 | S424 R443 A449 H450 D453 T504 | S424-Q445 WeakPolarHBondContact OG-CA 3.4Å; R443-Q445 VanDerWaalsContact NE-OE1 3.09Å; R443-Q445 VanDerWaalsContact NH2-OE1 3.11Å; Q445-A449 HydrophobicContact CB-CB 4.15Å; Q445-A449 HydrophobicContact CG-CB 4.25Å; Q445-H450 WeakPolarHBondContact CG-CE1 3.18Å; Q445-H450 WeakPolarHBondContact CG-ND1 3.26Å; Q445-H450 WeakPolarHBondContact CG-NE2 3.17Å; Q445-H450 PolarHBondContact NE2-ND1 3.47Å; Q445-H450 PolarHBondContact O-CD2 3.32Å; Q445-H450 PolarHBondContact O-NE2 3.22Å; Q445-D453 PolarHBondContact NE2-OD2 2.86Å; Q445-D453 PolarHBondContact OE1-OD2 3.06Å; Q445-T504 WeakPolarHBondContact O-CG2 3.3Å | ||
| 446 | S | 95.8 | Very high | 84.8 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | trans | -62 | 155.8 | 176.9 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | Q448 A449 H450 | S446-Q448 PolarHBondContact O-N 3Å; S446-A449 PolarHBondContact O-N 3.32Å; S446-A449 WeakPolarHBondContact OG-CB 3.5Å; S446-A449 PolarHBondContact OG-N 2.87Å; S446-H450 PolarHBondContact O-CD2 2.94Å; S446-H450 VanDerWaalsContact O-CD2 3.31Å; S446-H450 PolarHBondContact O-N 3.08Å | ||
| 447 | L | 95.1 | Very high | 86.8 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 179.3 | -169.3 | 59.5 | 0 | 0 | 0 | 112.1 | L406 L416 D417 T420 H450 R451 L501 L505 | L406-L447 HydrophobicContact CD2-CD1 3.67Å; L416-L447 HydrophobicContact CD2-CD2 3.96Å; L416-L447 HydrophobicContact CG-CD2 4.41Å; D417-L447 WeakPolarHBondContact OD1-CB 3.29Å; D417-L447 VanDerWaalsContact OD1-CD2 3.29Å; D417-L447 WeakPolarHBondContact OD1-CD2 3.31Å; T420-L447 HydrophobicContact CG2-CB 4.18Å; T420-L447 PolarHBondContact OG1-N 3.07Å; L447-H450 PolarHBondContact O-N 3.31Å; L447-R451 WeakPolarHBondContact O-CG 3.38Å; L447-R451 PolarHBondContact O-N 2.85Å; L447-R451 VanDerWaalsContact O-N 3.11Å; L447-L501 HydrophobicContact CD1-CD1 3.84Å; L447-L505 HydrophobicContact CD1-CD2 4.39Å |
| 448 | Q | 94.4 | Very high | 89 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 177 | -172.7 | 59.5 | 32.2 | 0 | 0 | 111.6 | S446 H450 R451 D452 | S446-Q448 PolarHBondContact O-N 3Å; Q448-H450 VanDerWaalsContact C-N 3.31Å; Q448-H450 PolarHBondContact O-N 3.04Å; Q448-R451 WeakPolarHBondContact O-CB 3.44Å; Q448-R451 PolarHBondContact O-N 3.28Å; Q448-R451 VanDerWaalsContact O-N 3.08Å; Q448-D452 PolarHBondContact NE2-OD1 2.07Å; Q448-D452 PolarHBondContact NE2-OD2 3.13Å; Q448-D452 VanDerWaalsContact O-CG 3.27Å; Q448-D452 PolarHBondContact O-N 3.3Å |
| 449 | A | 96 | Very high | 91 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q445 S446 R451 D452 D453 | Q445-A449 HydrophobicContact CB-CB 4.15Å; Q445-A449 HydrophobicContact CG-CB 4.25Å; S446-A449 PolarHBondContact O-N 3.32Å; S446-A449 WeakPolarHBondContact OG-CB 3.5Å; S446-A449 PolarHBondContact OG-N 2.87Å; A449-R451 VanDerWaalsContact C-N 3.34Å; A449-R451 PolarHBondContact O-N 2.76Å; A449-D452 PolarHBondContact O-N 2.85Å; A449-D453 WeakPolarHBondContact O-CB 3.33Å; A449-D453 VanDerWaalsContact O-CG 3.23Å; A449-D453 PolarHBondContact O-N 3.37Å |
| 450 | H | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 173.4 | -78.4 | -60.8 | 0 | 0 | 0 | 113.1 | Q445 S446 L447 Q448 F454 S500 L501 T504 | Q445-H450 WeakPolarHBondContact CG-CE1 3.18Å; Q445-H450 WeakPolarHBondContact CG-ND1 3.26Å; Q445-H450 WeakPolarHBondContact CG-NE2 3.17Å; Q445-H450 PolarHBondContact NE2-ND1 3.47Å; Q445-H450 PolarHBondContact O-CD2 3.32Å; Q445-H450 PolarHBondContact O-NE2 3.22Å; S446-H450 PolarHBondContact O-CD2 2.94Å; S446-H450 VanDerWaalsContact O-CD2 3.31Å; S446-H450 PolarHBondContact O-N 3.08Å; L447-H450 PolarHBondContact O-N 3.31Å; Q448-H450 VanDerWaalsContact C-N 3.31Å; Q448-H450 PolarHBondContact O-N 3.04Å; H450-F454 WeakPolarHBondContact O-CB 3.13Å; H450-F454 PolarHBondContact O-N 3.38Å; H450-S500 PolarHBondContact CE1-O 3.13Å; H450-L501 HydrophobicContact CB-CB 4.37Å; H450-L501 HydrophobicContact CB-CD1 3.84Å; H450-L501 PolarHBondContact CE1-N 3.07Å; H450-T504 PolarHBondContact CE1-OG1 3.49Å; H450-T504 WeakPolarHBondContact NE2-CB 3.33Å; H450-T504 PolarHBondContact NE2-OG1 3.46Å |
| 451 | R | 95.5 | Very high | 94.7 | Very high | 89 Ų | 89 | 42.9 Ų | 42.9 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -51.1 | 177 | -71.6 | 176.1 | -178.5 | 173.9 | 3.8 | 110.8 | L447 Q448 A449 D453 F454 E455 | L447-R451 WeakPolarHBondContact O-CG 3.38Å; L447-R451 PolarHBondContact O-N 2.85Å; L447-R451 VanDerWaalsContact O-N 3.11Å; Q448-R451 WeakPolarHBondContact O-CB 3.44Å; Q448-R451 PolarHBondContact O-N 3.28Å; Q448-R451 VanDerWaalsContact O-N 3.08Å; A449-R451 VanDerWaalsContact C-N 3.34Å; A449-R451 PolarHBondContact O-N 2.76Å; R451-D453 PolarHBondContact O-N 3.12Å; R451-F454 PolarHBondContact O-N 3Å; R451-E455 WeakPolarHBondContact O-CB 3.23Å; R451-E455 WeakPolarHBondContact O-CG 3.38Å; R451-E455 PolarHBondContact O-N 3.48Å |
| 452 | D | 97.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -46.8 | -177.4 | -62.5 | -20.3 | 0 | 0 | 0 | 111 | Q448 A449 E455 A456 | Q448-D452 PolarHBondContact NE2-OD1 2.07Å; Q448-D452 PolarHBondContact NE2-OD2 3.13Å; Q448-D452 VanDerWaalsContact O-CG 3.27Å; Q448-D452 PolarHBondContact O-N 3.3Å; A449-D452 PolarHBondContact O-N 2.85Å; D452-E455 PolarHBondContact O-N 3.13Å; D452-A456 WeakPolarHBondContact O-CB 3.46Å; D452-A456 PolarHBondContact O-N 3.08Å |
| 453 | D | 96.5 | Very high | 95.8 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 178.5 | -69.4 | -10 | 0 | 0 | 0 | 112 | Q445 A449 R451 A456 E457 R497 | Q445-D453 PolarHBondContact NE2-OD2 2.86Å; Q445-D453 PolarHBondContact OE1-OD2 3.06Å; A449-D453 WeakPolarHBondContact O-CB 3.33Å; A449-D453 VanDerWaalsContact O-CG 3.23Å; A449-D453 PolarHBondContact O-N 3.37Å; R451-D453 PolarHBondContact O-N 3.12Å; D453-A456 PolarHBondContact O-N 2.69Å; D453-E457 WeakPolarHBondContact O-CG 3.48Å; D453-E457 PolarHBondContact O-N 3.42Å; D453-R497 HydrophobicContact CB-CG 4.36Å; D453-R497 IonicContact OD2-NH1 3.65Å; D453-R497 PolarHBondContact OD2-NH1 3.47Å |
| 454 | F | 97.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 179.4 | 173.6 | -101 | 0 | 0 | 0 | 111 | A398 H402 H450 R451 A456 E457 L458 V494 R497 L498 | A398-F454 HydrophobicContact CB-CE2 4.15Å; A398-F454 HydrophobicContact CB-CZ 4.09Å; H402-F454 HydrophobicContact CB-CD1 4.28Å; H402-F454 HydrophobicContact CB-CE1 3.67Å; H402-F454 HydrophobicContact CB-CE2 4.3Å; H402-F454 HydrophobicContact CB-CZ 3.68Å; H402-F454 AromaticContact CD2-CD1 3.54Å; H402-F454 AromaticContact CD2-CE1 3.86Å; H402-F454 AromaticContact CD2-CG 3.74Å; H402-F454 AromaticContact CE1-CD1 3.88Å; H402-F454 AromaticContact CG-CD1 3.67Å; H402-F454 AromaticContact CG-CE1 3.52Å; H402-F454 AromaticContact CG-CZ 3.99Å; H402-F454 AromaticContact ND1-CD1 3.88Å; H402-F454 AromaticContact ND1-CE1 3.82Å; H402-F454 AromaticContact NE2-CD1 3.74Å; H450-F454 WeakPolarHBondContact O-CB 3.13Å; H450-F454 PolarHBondContact O-N 3.38Å; R451-F454 PolarHBondContact O-N 3Å; F454-A456 VanDerWaalsContact C-N 3.35Å; F454-E457 PolarHBondContact O-N 3.5Å; F454-L458 HydrophobicContact CE1-CD2 3.95Å; F454-L458 HydrophobicContact CZ-CD1 4.43Å; F454-L458 HydrophobicContact CZ-CD2 4.02Å; F454-L458 WeakPolarHBondContact O-CB 3.37Å; F454-L458 PolarHBondContact O-N 2.82Å; F454-V494 HydrophobicContact CE2-CG1 3.99Å; F454-R497 HydrophobicContact CB-CB 4.39Å; F454-R497 HydrophobicContact CD2-CB 4.29Å; F454-L498 HydrophobicContact CD2-CD2 3.97Å; F454-L498 HydrophobicContact CD2-CG 4.14Å; F454-L498 HydrophobicContact CE2-CD1 4.27Å; F454-L498 HydrophobicContact CE2-CD2 3.51Å; F454-L498 HydrophobicContact CE2-CG 3.75Å; F454-L498 HydrophobicContact CZ-CD2 4.15Å |
| 455 | E | 97.1 | Very high | 95.9 | Very high | 123 Ų | 123 | 47.1 Ų | 47.1 | 58% | 0.575 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 176.2 | -73.8 | 178.7 | -169.8 | 0 | 0 | 111.6 | R451 D452 A459 | R451-E455 WeakPolarHBondContact O-CB 3.23Å; R451-E455 WeakPolarHBondContact O-CG 3.38Å; R451-E455 PolarHBondContact O-N 3.48Å; D452-E455 PolarHBondContact O-N 3.13Å; E455-A459 VanDerWaalsContact O-CB 3.27Å; E455-A459 WeakPolarHBondContact O-CB 3.32Å; E455-A459 PolarHBondContact O-N 3.43Å |
| 456 | A | 97.4 | Very high | 95.8 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 49% | 0.488 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D452 D453 F454 A459 S460 | D452-A456 WeakPolarHBondContact O-CB 3.46Å; D452-A456 PolarHBondContact O-N 3.08Å; D453-A456 PolarHBondContact O-N 2.69Å; F454-A456 VanDerWaalsContact C-N 3.35Å; A456-A459 PolarHBondContact O-N 3.03Å; A456-S460 WeakPolarHBondContact O-CB 3.46Å; A456-S460 PolarHBondContact O-N 3.27Å |
| 457 | E | 97 | Very high | 95.6 | Very high | 64 Ų | 64 | 53 Ų | 53 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | -179.9 | -67.4 | -58.7 | 165.5 | 0 | 0 | 112.1 | D453 F454 S460 L461 A493 V494 R497 | D453-E457 WeakPolarHBondContact O-CG 3.48Å; D453-E457 PolarHBondContact O-N 3.42Å; F454-E457 PolarHBondContact O-N 3.5Å; E457-S460 WeakPolarHBondContact O-CB 3.15Å; E457-S460 PolarHBondContact O-N 3.44Å; E457-L461 WeakPolarHBondContact O-CB 3.45Å; E457-L461 PolarHBondContact O-N 2.94Å; E457-A493 HydrophobicContact CG-CB 4.15Å; E457-A493 WeakPolarHBondContact OE2-CB 3.4Å; E457-V494 HydrophobicContact CB-CG2 3.92Å; E457-R497 HydrophobicContact CB-CG 4.36Å; E457-R497 HydrophobicContact CG-CG 3.95Å |
| 458 | L | 97.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.2 | -171.5 | 71.8 | 0 | 0 | 0 | 111.6 | V395 A398 I399 F454 S460 L461 H462 V494 | V395-L458 HydrophobicContact CB-CD1 4.29Å; V395-L458 HydrophobicContact CG1-CD1 4.08Å; V395-L458 HydrophobicContact CG2-CD1 4.16Å; A398-L458 HydrophobicContact CB-CD1 4.23Å; I399-L458 HydrophobicContact CD1-CD2 4.02Å; I399-L458 HydrophobicContact CG1-CD2 3.53Å; F454-L458 HydrophobicContact CE1-CD2 3.95Å; F454-L458 HydrophobicContact CZ-CD1 4.43Å; F454-L458 HydrophobicContact CZ-CD2 4.02Å; F454-L458 WeakPolarHBondContact O-CB 3.37Å; F454-L458 PolarHBondContact O-N 2.82Å; L458-S460 VanDerWaalsContact C-N 3.35Å; L458-L461 PolarHBondContact O-N 2.89Å; L458-H462 WeakPolarHBondContact O-CB 3.21Å; L458-H462 PolarHBondContact O-N 2.84Å; L458-V494 HydrophobicContact CD1-CG1 4.27Å |
| 459 | A | 96.8 | Very high | 94.8 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E455 A456 H462 T463 | E455-A459 VanDerWaalsContact O-CB 3.27Å; E455-A459 WeakPolarHBondContact O-CB 3.32Å; E455-A459 PolarHBondContact O-N 3.43Å; A456-A459 PolarHBondContact O-N 3.03Å; A459-H462 PolarHBondContact O-N 3.3Å; A459-T463 WeakPolarHBondContact O-CB 3.22Å; A459-T463 PolarHBondContact O-N 3.08Å; A459-T463 PolarHBondContact O-OG1 3.33Å |
| 460 | S | 96.9 | Very high | 94.2 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.1 | -50.1 | 174.1 | 179 | 0 | 0 | 0 | 0 | 111.6 | A456 E457 L458 T463 K464 S490 | A456-S460 WeakPolarHBondContact O-CB 3.46Å; A456-S460 PolarHBondContact O-N 3.27Å; E457-S460 WeakPolarHBondContact O-CB 3.15Å; E457-S460 PolarHBondContact O-N 3.44Å; L458-S460 VanDerWaalsContact C-N 3.35Å; S460-T463 PolarHBondContact O-N 2.95Å; S460-K464 WeakPolarHBondContact O-CG 3.2Å; S460-K464 PolarHBondContact O-N 2.93Å; S460-S490 PolarHBondContact OG-OG 3.14Å |
| 461 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 176.3 | 177.4 | 61.9 | 0 | 0 | 0 | 111.6 | C391 L394 V395 E457 L458 T463 K464 V465 A491 V494 | C391-L461 HydrophobicContact CB-CD1 4.11Å; L394-L461 HydrophobicContact CD2-CD2 3.82Å; L394-L461 HydrophobicContact CG-CD2 4.17Å; V395-L461 HydrophobicContact CG2-CD2 3.79Å; V395-L461 HydrophobicContact CG2-CG 4.06Å; E457-L461 WeakPolarHBondContact O-CB 3.45Å; E457-L461 PolarHBondContact O-N 2.94Å; L458-L461 PolarHBondContact O-N 2.89Å; L461-T463 VanDerWaalsContact C-N 3.3Å; L461-T463 PolarHBondContact O-N 2.89Å; L461-K464 PolarHBondContact O-N 2.97Å; L461-V465 HydrophobicContact CD1-CG2 4.12Å; L461-V465 HydrophobicContact CG-CG2 4.39Å; L461-V465 VanDerWaalsContact O-CG2 3.3Å; L461-V465 WeakPolarHBondContact O-CG2 3.44Å; L461-V465 PolarHBondContact O-N 3.46Å; L461-A491 HydrophobicContact CD1-CB 4.13Å; L461-A491 HydrophobicContact CD2-CB 4.46Å; L461-V494 HydrophobicContact CB-CG2 4.15Å; L461-V494 HydrophobicContact CD2-CG2 4.01Å |
| 462 | H | 94.7 | Very high | 91.5 | Very high | 96 Ų | 96 | 62.6 Ų | 62.6 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | -180 | -173 | -68.4 | 0 | 0 | 0 | 111.5 | L458 A459 V465 E466 | L458-H462 WeakPolarHBondContact O-CB 3.21Å; L458-H462 PolarHBondContact O-N 2.84Å; A459-H462 PolarHBondContact O-N 3.3Å; H462-V465 PolarHBondContact O-N 3.38Å; H462-E466 WeakPolarHBondContact O-CG 3.29Å; H462-E466 PolarHBondContact O-N 3.26Å |
| 463 | T | 95.2 | Very high | 89.5 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 47% | 0.466 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | A459 S460 L461 E466 N467 | A459-T463 WeakPolarHBondContact O-CB 3.22Å; A459-T463 PolarHBondContact O-N 3.08Å; A459-T463 PolarHBondContact O-OG1 3.33Å; S460-T463 PolarHBondContact O-N 2.95Å; L461-T463 VanDerWaalsContact C-N 3.3Å; L461-T463 PolarHBondContact O-N 2.89Å; T463-E466 PolarHBondContact O-N 2.89Å; T463-N467 WeakPolarHBondContact O-CB 3.21Å; T463-N467 PolarHBondContact O-N 3.5Å; T463-N467 PolarHBondContact O-ND2 2.98Å |
| 464 | K | 93.5 | Very high | 87.6 | Confident | 66 Ų | 66 | 66.7 Ų | 66.7 | 29% | 0.287 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.1 | -74.4 | -176.9 | -179.1 | 177.1 | 0 | 112.2 | S460 L461 E466 N467 V468 G486 L487 S490 | S460-K464 WeakPolarHBondContact O-CG 3.2Å; S460-K464 PolarHBondContact O-N 2.93Å; L461-K464 PolarHBondContact O-N 2.97Å; K464-E466 VanDerWaalsContact C-N 3.34Å; K464-E466 PolarHBondContact O-N 2.85Å; K464-N467 PolarHBondContact O-N 2.93Å; K464-V468 WeakPolarHBondContact O-CB 3.48Å; K464-V468 WeakPolarHBondContact O-CG2 3.37Å; K464-V468 PolarHBondContact O-N 3.49Å; K464-G486 PolarHBondContact NZ-O 2.87Å; K464-L487 HydrophobicContact CB-CD2 3.94Å; K464-S490 WeakPolarHBondContact CD-OG 3.39Å; K464-S490 VanDerWaalsContact CE-OG 3.27Å; K464-S490 WeakPolarHBondContact CE-OG 3.38Å; K464-S490 PolarHBondContact NZ-OG 3.34Å |
| 465 | V | 93.2 | Very high | 85.3 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.018 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 177.8 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | I388 C391 R392 L461 H462 S469 L487 | I388-V465 HydrophobicContact CG2-CG1 4.35Å; C391-V465 HydrophobicContact CB-CG2 3.38Å; R392-V465 HydrophobicContact CG-CG1 3.45Å; R392-V465 VanDerWaalsContact CG-CG1 3.45Å; L461-V465 HydrophobicContact CD1-CG2 4.12Å; L461-V465 HydrophobicContact CG-CG2 4.39Å; L461-V465 VanDerWaalsContact O-CG2 3.3Å; L461-V465 WeakPolarHBondContact O-CG2 3.44Å; L461-V465 PolarHBondContact O-N 3.46Å; H462-V465 PolarHBondContact O-N 3.38Å; V465-S469 VanDerWaalsContact O-CB 3.3Å; V465-S469 WeakPolarHBondContact O-CB 2.84Å; V465-S469 PolarHBondContact O-N 3.48Å; V465-S469 PolarHBondContact O-OG 3.11Å; V465-L487 HydrophobicContact CG2-CD2 3.86Å |
| 466 | E | 92.5 | Very high | 83.5 | Confident | 60 Ų | 60 | 71 Ų | 71 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.2 | -37.7 | -178.9 | -67 | -54.3 | 123 | 0 | 0 | 112.4 | R392 H462 T463 K464 S469 Q470 | R392-E466 IonicContact CZ-OE1 2.79Å; R392-E466 IonicContact NE-OE1 2.61Å; R392-E466 PolarHBondContact NE-OE1 2.74Å; R392-E466 IonicContact NH2-OE1 3.3Å; R392-E466 PolarHBondContact NH2-OE1 2.97Å; R392-E466 IonicContact NH2-OE2 3.76Å; H462-E466 WeakPolarHBondContact O-CG 3.29Å; H462-E466 PolarHBondContact O-N 3.26Å; T463-E466 PolarHBondContact O-N 2.89Å; K464-E466 VanDerWaalsContact C-N 3.34Å; K464-E466 PolarHBondContact O-N 2.85Å; E466-S469 PolarHBondContact O-N 3.38Å; E466-Q470 VanDerWaalsContact O-CG 3.31Å; E466-Q470 WeakPolarHBondContact O-CG 3.3Å; E466-Q470 PolarHBondContact O-N 3.29Å |
| 467 | N | 90.1 | Very high | 81.7 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 49% | 0.492 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 174.3 | -71.2 | -12.6 | 0 | 0 | 0 | 111.8 | T463 K464 S469 Q470 C471 | T463-N467 WeakPolarHBondContact O-CB 3.21Å; T463-N467 PolarHBondContact O-N 3.5Å; T463-N467 PolarHBondContact O-ND2 2.98Å; K464-N467 PolarHBondContact O-N 2.93Å; N467-S469 VanDerWaalsContact C-N 3.29Å; N467-S469 PolarHBondContact O-N 3.42Å; N467-Q470 PolarHBondContact O-N 2.94Å; N467-C471 PolarHBondContact O-SG 2.86Å |
| 468 | V | 87.5 | Confident | 80.3 | Confident | 17 Ų | 17 | 75.6 Ų | 75.6 | 10% | 0.103 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.9 | -33.2 | 180 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | L384 I388 K464 Q470 C471 M483 L487 | L384-V468 HydrophobicContact CD1-CG1 3.81Å; L384-V468 HydrophobicContact CD2-CG1 3.57Å; L384-V468 HydrophobicContact CG-CG1 3.84Å; I388-V468 HydrophobicContact CD1-CG1 3.85Å; I388-V468 HydrophobicContact CG1-CG1 3.98Å; K464-V468 WeakPolarHBondContact O-CB 3.48Å; K464-V468 WeakPolarHBondContact O-CG2 3.37Å; K464-V468 PolarHBondContact O-N 3.49Å; V468-Q470 PolarHBondContact O-N 2.9Å; V468-C471 PolarHBondContact O-N 2.83Å; V468-M483 HydrophobicContact CG1-CB 4.48Å; V468-M483 HydrophobicContact CG1-SD 4.06Å; V468-M483 HydrophobicContact CG2-CB 4.35Å; V468-M483 HydrophobicContact CG2-CG 4.36Å; V468-M483 HydrophobicContact CG2-SD 4.34Å; V468-L487 HydrophobicContact CG1-CD1 4.21Å; V468-L487 HydrophobicContact CG2-CD1 4.49Å; V468-L487 HydrophobicContact CG2-CG 4.47Å |
| 469 | S | 85.4 | Confident | 79.4 | Confident | 39 Ų | 39 | 76.5 Ų | 76.5 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.5 | -17 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 114.2 | I388 R392 V465 E466 N467 | I388-S469 WeakPolarHBondContact CG2-OG 3.45Å; R392-S469 PolarHBondContact NH2-OG 2.82Å; R392-S469 VanDerWaalsContact NH2-OG 3.08Å; V465-S469 VanDerWaalsContact O-CB 3.3Å; V465-S469 WeakPolarHBondContact O-CB 2.84Å; V465-S469 PolarHBondContact O-N 3.48Å; V465-S469 PolarHBondContact O-OG 3.11Å; E466-S469 PolarHBondContact O-N 3.38Å; N467-S469 VanDerWaalsContact C-N 3.29Å; N467-S469 PolarHBondContact O-N 3.42Å |
| 470 | Q | 83.3 | Confident | 78.8 | Confident | 140 Ų | 140 | 76.8 Ų | 76.8 | 65% | 0.654 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -4.9 | 179.3 | -70 | 174.3 | 16.4 | 0 | 0 | 113 | E466 N467 V468 D472 | E466-Q470 VanDerWaalsContact O-CG 3.31Å; E466-Q470 WeakPolarHBondContact O-CG 3.3Å; E466-Q470 PolarHBondContact O-N 3.29Å; N467-Q470 PolarHBondContact O-N 2.94Å; V468-Q470 PolarHBondContact O-N 2.9Å; Q470-D472 PolarHBondContact O-N 2.7Å |
| 471 | C | 74.5 | Confident | 78.1 | Confident | 62 Ų | 62 | 76.9 Ų | 76.9 | 42% | 0.419 | 43% | 0.426 | S | S | . | . | trans | -78.2 | 98.7 | 176.3 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | N467 V468 E473 M483 | N467-C471 PolarHBondContact O-SG 2.86Å; V468-C471 PolarHBondContact O-N 2.83Å; C471-E473 VanDerWaalsContact C-N 3.32Å; C471-E473 PolarHBondContact O-N 3.03Å; C471-M483 HydrophobicContact CB-CE 4.47Å | ||
| 472 | D | 61.5 | Low | 77.7 | Confident | 161 Ų | 161 | 83.6 Ų | 83.6 | 86% | 0.861 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -72.9 | -19.2 | 178.5 | -77.9 | -32.4 | 0 | 0 | 0 | 113.8 | Q470 | Q470-D472 PolarHBondContact O-N 2.7Š|
| 473 | E | 56.2 | Low | 77.4 | Confident | 160 Ų | 160 | 80.9 Ų | 80.9 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | trans | -135.9 | 99.1 | -174.7 | -68.3 | -177.4 | 162.4 | 0 | 0 | 111.2 | C471 E475 | C471-E473 VanDerWaalsContact C-N 3.32Å; C471-E473 PolarHBondContact O-N 3.03Å; E473-E475 PolarHBondContact O-N 3.45Å | ||
| 474 | V | 55.4 | Low | 77.1 | Confident | 53 Ų | 53 | 79 Ų | 79 | 32% | 0.321 | 43% | 0.432 | S | S | . | . | trans | -83.7 | 93 | 169.4 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | L384 G476 E480 | L384-V474 HydrophobicContact CD2-CG2 4.31Å; V474-G476 PolarHBondContact O-N 3.5Å; V474-E480 HydrophobicContact CG1-CB 3.83Å | ||
| 475 | E | 49.5 | Very low | 76.9 | Confident | 174 Ų | 174 | 81.3 Ų | 81.3 | 81% | 0.813 | 45% | 0.447 | S | S | * | . | trans | -69.6 | 89.5 | 173.9 | -70.4 | -168.2 | 156.4 | 0 | 0 | 110.7 | E473 | E473-E475 PolarHBondContact O-N 3.45Š| ||
| 476 | G | 59.8 | Low | 76.7 | Confident | 48 Ų | 48 | 82.3 Ų | 82.3 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 96.5 | 148.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | V474 N478 S479 | V474-G476 PolarHBondContact O-N 3.5Å; G476-N478 PolarHBondContact O-N 2.84Å; G476-N478 VanDerWaalsContact O-N 3.11Å; G476-S479 PolarHBondContact O-N 3.3Å; G476-S479 VanDerWaalsContact O-N 3.12Å |
| 477 | S | 59.2 | Low | 76.7 | Confident | 94 Ų | 94 | 79.5 Ų | 79.5 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.6 | -26.6 | -174.2 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | A481 | S477-A481 PolarHBondContact O-N 2.89Å |
| 478 | N | 67.1 | Low | 76.8 | Confident | 124 Ų | 124 | 78.3 Ų | 78.3 | 66% | 0.663 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72.3 | -35.6 | 179.6 | -72 | -2.4 | 0 | 0 | 0 | 112.1 | G476 A481 E482 | G476-N478 PolarHBondContact O-N 2.84Å; G476-N478 VanDerWaalsContact O-N 3.11Å; N478-A481 PolarHBondContact O-N 3.06Å; N478-E482 WeakPolarHBondContact O-CG 3.31Å; N478-E482 PolarHBondContact O-N 2.84Å; N478-E482 VanDerWaalsContact O-N 3.14Å |
| 479 | S | 79.4 | Confident | 77 | Confident | 41 Ų | 41 | 83.7 Ų | 83.7 | 29% | 0.287 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 179.8 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | G476 A481 E482 M483 | G476-S479 PolarHBondContact O-N 3.3Å; G476-S479 VanDerWaalsContact O-N 3.12Å; S479-A481 PolarHBondContact O-N 3.21Å; S479-E482 PolarHBondContact O-N 3.1Å; S479-M483 WeakPolarHBondContact O-CG 3.2Å; S479-M483 PolarHBondContact O-N 3.06Å |
| 480 | E | 82.5 | Confident | 77.4 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 29% | 0.29 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.8 | -162.1 | 178.9 | 175.3 | 0 | 0 | 111.8 | G383 L384 V474 E482 M483 I484 | G383-E480 WeakPolarHBondContact CA-OE1 3.32Å; L384-E480 HydrophobicContact CB-CG 4.02Å; L384-E480 PolarHBondContact N-OE1 3.24Å; V474-E480 HydrophobicContact CG1-CB 3.83Å; E480-E482 VanDerWaalsContact C-N 3.33Å; E480-E482 PolarHBondContact O-N 2.69Å; E480-M483 PolarHBondContact O-N 2.76Å; E480-I484 HydrophobicContact CG-CD1 4.14Å; E480-I484 WeakPolarHBondContact O-CG1 3.47Å; E480-I484 PolarHBondContact O-N 2.98Å |
| 481 | A | 83.8 | Confident | 77.9 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S477 N478 S479 I484 I485 | S477-A481 PolarHBondContact O-N 2.89Å; N478-A481 PolarHBondContact O-N 3.06Å; S479-A481 PolarHBondContact O-N 3.21Å; A481-I484 PolarHBondContact O-N 3.33Å; A481-I485 WeakPolarHBondContact O-CD1 3.49Å; A481-I485 VanDerWaalsContact O-CG1 3.23Å; A481-I485 WeakPolarHBondContact O-CG1 3.41Å; A481-I485 PolarHBondContact O-N 2.83Å |
| 482 | E | 87.3 | Confident | 78.7 | Confident | 141 Ų | 141 | 74 Ų | 74 | 66% | 0.659 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 175.5 | -73.9 | 177.1 | -174.9 | 0 | 0 | 112.3 | N478 S479 E480 I485 G486 | N478-E482 WeakPolarHBondContact O-CG 3.31Å; N478-E482 PolarHBondContact O-N 2.84Å; N478-E482 VanDerWaalsContact O-N 3.14Å; S479-E482 PolarHBondContact O-N 3.1Å; E480-E482 VanDerWaalsContact C-N 3.33Å; E480-E482 PolarHBondContact O-N 2.69Å; E482-I485 PolarHBondContact O-N 3.26Å; E482-G486 PolarHBondContact O-N 2.99Å |
| 483 | M | 88.1 | Confident | 80.3 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 20% | 0.197 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.7 | -69.2 | -177.1 | -168.1 | 0 | 0 | 111.7 | L384 V468 C471 S479 E480 G486 L487 | L384-M483 HydrophobicContact CD1-CB 3.93Å; L384-M483 HydrophobicContact CD2-SD 4.06Å; V468-M483 HydrophobicContact CG1-CB 4.48Å; V468-M483 HydrophobicContact CG1-SD 4.06Å; V468-M483 HydrophobicContact CG2-CB 4.35Å; V468-M483 HydrophobicContact CG2-CG 4.36Å; V468-M483 HydrophobicContact CG2-SD 4.34Å; C471-M483 HydrophobicContact CB-CE 4.47Å; S479-M483 WeakPolarHBondContact O-CG 3.2Å; S479-M483 PolarHBondContact O-N 3.06Å; E480-M483 PolarHBondContact O-N 2.76Å; M483-G486 PolarHBondContact O-N 3.43Å; M483-L487 WeakPolarHBondContact O-CG 3.23Å; M483-L487 PolarHBondContact O-N 3.23Å |
| 484 | I | 88.7 | Confident | 82.2 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 18% | 0.179 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 176.8 | -67.4 | 170.1 | 0 | 0 | 0 | 110.3 | F379 L384 E480 A481 G486 L487 H488 | F379-I484 HydrophobicContact CD1-CG2 3.7Å; F379-I484 HydrophobicContact CE1-CG2 4.02Å; F379-I484 WeakPolarHBondContact CE1-O 3.32Å; L384-I484 HydrophobicContact CD1-CG1 3.64Å; E480-I484 HydrophobicContact CG-CD1 4.14Å; E480-I484 WeakPolarHBondContact O-CG1 3.47Å; E480-I484 PolarHBondContact O-N 2.98Å; A481-I484 PolarHBondContact O-N 3.33Å; I484-G486 VanDerWaalsContact C-N 3.29Å; I484-G486 PolarHBondContact O-N 3.4Å; I484-L487 PolarHBondContact O-N 3.25Å; I484-H488 WeakPolarHBondContact O-CB 3.46Å; I484-H488 PolarHBondContact O-N 3.49Å |
| 485 | I | 89 | Confident | 84.1 | Confident | 116 Ų | 116 | 57 Ų | 57 | 60% | 0.595 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 176.7 | -68.5 | 164.2 | 0 | 0 | 0 | 110.9 | A481 E482 H488 H489 | A481-I485 WeakPolarHBondContact O-CD1 3.49Å; A481-I485 VanDerWaalsContact O-CG1 3.23Å; A481-I485 WeakPolarHBondContact O-CG1 3.41Å; A481-I485 PolarHBondContact O-N 2.83Å; E482-I485 PolarHBondContact O-N 3.26Å; I485-H488 PolarHBondContact O-N 3.47Å; I485-H489 WeakPolarHBondContact O-CB 3.29Å; I485-H489 PolarHBondContact O-N 2.85Å |
| 486 | G | 90.2 | Very high | 86.2 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K464 E482 M483 I484 S490 | K464-G486 PolarHBondContact NZ-O 2.87Å; E482-G486 PolarHBondContact O-N 2.99Å; M483-G486 PolarHBondContact O-N 3.43Å; I484-G486 VanDerWaalsContact C-N 3.29Å; I484-G486 PolarHBondContact O-N 3.4Å; G486-S490 PolarHBondContact O-N 3.24Å |
| 487 | L | 92.1 | Very high | 88 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 172.7 | -74.8 | 174.8 | 0 | 0 | 0 | 111 | F379 L384 I388 K464 V465 V468 M483 I484 H489 S490 A491 | F379-L487 HydrophobicContact CE1-CB 4.16Å; F379-L487 HydrophobicContact CZ-CB 4.15Å; L384-L487 HydrophobicContact CD1-CD1 4.3Å; I388-L487 HydrophobicContact CG1-CD1 4.26Å; K464-L487 HydrophobicContact CB-CD2 3.94Å; V465-L487 HydrophobicContact CG2-CD2 3.86Å; V468-L487 HydrophobicContact CG1-CD1 4.21Å; V468-L487 HydrophobicContact CG2-CD1 4.49Å; V468-L487 HydrophobicContact CG2-CG 4.47Å; M483-L487 WeakPolarHBondContact O-CG 3.23Å; M483-L487 PolarHBondContact O-N 3.23Å; I484-L487 PolarHBondContact O-N 3.25Å; L487-H489 VanDerWaalsContact C-N 3.33Å; L487-H489 PolarHBondContact O-N 2.81Å; L487-S490 PolarHBondContact O-N 3.2Å; L487-A491 VanDerWaalsContact O-CB 3.29Å; L487-A491 WeakPolarHBondContact O-CB 3.43Å; L487-A491 PolarHBondContact O-N 3.33Å |
| 488 | H | 91.7 | Very high | 89.7 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 31% | 0.31 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 178.2 | 179.9 | -83.1 | 0 | 0 | 0 | 110.7 | F375 F379 I484 I485 S490 A491 E492 | F375-H488 AromaticContact CE1-CD2 3.45Å; F375-H488 VanDerWaalsContact CE1-CD2 3.45Å; F375-H488 WeakPolarHBondContact CE1-CD2 3.22Å; F375-H488 AromaticContact CE1-NE2 3.39Å; F375-H488 WeakPolarHBondContact CE1-NE2 3.33Å; F375-H488 HydrophobicContact CZ-CB 4.21Å; F375-H488 AromaticContact CZ-CD2 3.26Å; F375-H488 WeakPolarHBondContact CZ-CD2 3.04Å; F375-H488 AromaticContact CZ-CG 3.7Å; F375-H488 AromaticContact CZ-NE2 3.71Å; F375-H488 WeakPolarHBondContact CZ-O 3.07Å; F379-H488 HydrophobicContact CD1-CB 3.68Å; F379-H488 AromaticContact CD1-CD2 3.82Å; F379-H488 HydrophobicContact CE1-CB 3.51Å; F379-H488 AromaticContact CG-CD2 3.88Å; F379-H488 HydrophobicContact CZ-CB 4.25Å; I484-H488 WeakPolarHBondContact O-CB 3.46Å; I484-H488 PolarHBondContact O-N 3.49Å; I485-H488 PolarHBondContact O-N 3.47Å; H488-S490 PolarHBondContact O-N 3.24Å; H488-A491 PolarHBondContact O-N 2.91Å; H488-E492 VanDerWaalsContact O-CB 3.27Å; H488-E492 WeakPolarHBondContact O-CB 3.32Å; H488-E492 PolarHBondContact O-N 3.06Å |
| 489 | H | 92.1 | Very high | 91.1 | Very high | 130 Ų | 130 | 40.7 Ų | 40.7 | 60% | 0.602 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.1 | -43.2 | -179.3 | -173.3 | 72.3 | 0 | 0 | 0 | 113.1 | I485 L487 E492 A493 | I485-H489 WeakPolarHBondContact O-CB 3.29Å; I485-H489 PolarHBondContact O-N 2.85Å; L487-H489 VanDerWaalsContact C-N 3.33Å; L487-H489 PolarHBondContact O-N 2.81Å; H489-E492 PolarHBondContact O-N 3.44Å; H489-A493 WeakPolarHBondContact O-CB 3.35Å; H489-A493 PolarHBondContact O-N 2.78Å |
| 490 | S | 93 | Very high | 91.9 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.1 | -36.3 | 177.7 | -83.3 | 0 | 0 | 0 | 0 | 113 | S460 K464 G486 L487 H488 A493 V494 | S460-S490 PolarHBondContact OG-OG 3.14Å; K464-S490 WeakPolarHBondContact CD-OG 3.39Å; K464-S490 VanDerWaalsContact CE-OG 3.27Å; K464-S490 WeakPolarHBondContact CE-OG 3.38Å; K464-S490 PolarHBondContact NZ-OG 3.34Å; G486-S490 PolarHBondContact O-N 3.24Å; L487-S490 PolarHBondContact O-N 3.2Å; H488-S490 PolarHBondContact O-N 3.24Å; S490-A493 PolarHBondContact O-N 3.03Å; S490-V494 WeakPolarHBondContact O-CG2 3.38Å; S490-V494 PolarHBondContact O-N 3.44Å |
| 491 | A | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | F375 L394 L461 L487 H488 A493 V494 L495 | F375-A491 HydrophobicContact CD2-CB 3.96Å; F375-A491 HydrophobicContact CE2-CB 3.18Å; F375-A491 HydrophobicContact CZ-CB 3.74Å; L394-A491 HydrophobicContact CD2-CB 3.47Å; L394-A491 VanDerWaalsContact CD2-CB 3.47Å; L461-A491 HydrophobicContact CD1-CB 4.13Å; L461-A491 HydrophobicContact CD2-CB 4.46Å; L487-A491 VanDerWaalsContact O-CB 3.29Å; L487-A491 WeakPolarHBondContact O-CB 3.43Å; L487-A491 PolarHBondContact O-N 3.33Å; H488-A491 PolarHBondContact O-N 2.91Å; A491-A493 VanDerWaalsContact C-N 3.33Å; A491-A493 PolarHBondContact O-N 3.38Å; A491-V494 PolarHBondContact O-N 2.81Å; A491-L495 WeakPolarHBondContact O-CG 3.26Å; A491-L495 PolarHBondContact O-N 3Å |
| 492 | E | 93 | Very high | 93.2 | Very high | 37 Ų | 37 | 34.2 Ų | 34.2 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -41.4 | 174.9 | -176.1 | 66.7 | 178.8 | 0 | 0 | 111.7 | R372 H488 H489 V494 L495 I496 | R372-E492 IonicContact CZ-OE1 3.57Å; R372-E492 IonicContact NE-OE1 3.75Å; R372-E492 IonicContact NE-OE2 2.9Å; R372-E492 IonicContact NH2-OE1 2.68Å; R372-E492 PolarHBondContact NH2-OE1 3.32Å; R372-E492 IonicContact NH2-OE2 2.8Å; H488-E492 VanDerWaalsContact O-CB 3.27Å; H488-E492 WeakPolarHBondContact O-CB 3.32Å; H488-E492 PolarHBondContact O-N 3.06Å; H489-E492 PolarHBondContact O-N 3.44Å; E492-V494 PolarHBondContact O-N 3.49Å; E492-L495 PolarHBondContact O-N 3.27Å; E492-I496 HydrophobicContact CG-CD1 3.97Å; E492-I496 VanDerWaalsContact O-CG1 3.31Å; E492-I496 WeakPolarHBondContact O-CG1 3.22Å; E492-I496 PolarHBondContact O-N 2.68Å |
| 493 | A | 94.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 29.6 Ų | 29.6 | 12% | 0.124 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E457 H489 S490 A491 L495 I496 R497 | E457-A493 HydrophobicContact CG-CB 4.15Å; E457-A493 WeakPolarHBondContact OE2-CB 3.4Å; H489-A493 WeakPolarHBondContact O-CB 3.35Å; H489-A493 PolarHBondContact O-N 2.78Å; S490-A493 PolarHBondContact O-N 3.03Å; A491-A493 VanDerWaalsContact C-N 3.33Å; A491-A493 PolarHBondContact O-N 3.38Å; A493-L495 PolarHBondContact O-N 3.26Å; A493-I496 PolarHBondContact O-N 3.3Å; A493-R497 WeakPolarHBondContact O-CG 3.44Å; A493-R497 PolarHBondContact O-N 2.98Å |
| 494 | V | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | A398 F454 E457 L458 L461 S490 A491 E492 R497 L498 | A398-V494 HydrophobicContact CB-CG1 3.87Å; F454-V494 HydrophobicContact CE2-CG1 3.99Å; E457-V494 HydrophobicContact CB-CG2 3.92Å; L458-V494 HydrophobicContact CD1-CG1 4.27Å; L461-V494 HydrophobicContact CB-CG2 4.15Å; L461-V494 HydrophobicContact CD2-CG2 4.01Å; S490-V494 WeakPolarHBondContact O-CG2 3.38Å; S490-V494 PolarHBondContact O-N 3.44Å; A491-V494 PolarHBondContact O-N 2.81Å; E492-V494 PolarHBondContact O-N 3.49Å; V494-R497 PolarHBondContact O-N 2.7Å; V494-L498 HydrophobicContact CG1-CD1 4.46Å; V494-L498 PolarHBondContact O-N 3.47Å; V494-L498 VanDerWaalsContact O-N 3.1Å |
| 495 | L | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.9 | -69.2 | 176.4 | 0 | 0 | 0 | 111.6 | L371 R372 F375 L394 A491 E492 A493 R497 L498 E499 | L371-L495 HydrophobicContact CD2-CD2 3.55Å; L371-L495 HydrophobicContact CG-CD2 3.82Å; R372-L495 HydrophobicContact CB-CD1 4.46Å; R372-L495 HydrophobicContact CG-CD1 4.32Å; F375-L495 HydrophobicContact CB-CD1 4.44Å; F375-L495 HydrophobicContact CD1-CD1 4.25Å; F375-L495 HydrophobicContact CG-CD1 4.31Å; L394-L495 HydrophobicContact CD1-CD2 3.75Å; L394-L495 HydrophobicContact CD1-CG 4.34Å; A491-L495 WeakPolarHBondContact O-CG 3.26Å; A491-L495 PolarHBondContact O-N 3Å; E492-L495 PolarHBondContact O-N 3.27Å; A493-L495 PolarHBondContact O-N 3.26Å; L495-R497 VanDerWaalsContact C-N 3.28Å; L495-R497 PolarHBondContact O-N 3.31Å; L495-L498 PolarHBondContact O-N 3.26Å; L495-E499 WeakPolarHBondContact O-CG 3.37Å; L495-E499 PolarHBondContact O-N 3.44Å |
| 496 | I | 95.3 | Very high | 94.6 | Very high | 23 Ų | 23 | 20.7 Ų | 20.7 | 12% | 0.118 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 176.7 | -71 | 168.6 | 0 | 0 | 0 | 111.1 | G441 V442 E492 A493 E499 S500 | G441-I496 VanDerWaalsContact C-CG2 3.42Å; G441-I496 WeakPolarHBondContact O-CG2 3.32Å; V442-I496 HydrophobicContact CG2-CG2 4.44Å; E492-I496 HydrophobicContact CG-CD1 3.97Å; E492-I496 VanDerWaalsContact O-CG1 3.31Å; E492-I496 WeakPolarHBondContact O-CG1 3.22Å; E492-I496 PolarHBondContact O-N 2.68Å; A493-I496 PolarHBondContact O-N 3.3Å; I496-E499 PolarHBondContact O-N 3.1Å; I496-S500 VanDerWaalsContact O-CB 3.22Å; I496-S500 WeakPolarHBondContact O-CB 3.49Å; I496-S500 PolarHBondContact O-N 3.28Å; I496-S500 PolarHBondContact O-OG 3.01Å |
| 497 | R | 96.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 19.9 Ų | 19.9 | 14% | 0.143 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.8 | -67.9 | -50.8 | 103.6 | 172.1 | 5.7 | 112.1 | G441 D453 F454 E457 A493 V494 L495 S500 L501 | G441-R497 PolarHBondContact O-NH2 2.88Å; D453-R497 HydrophobicContact CB-CG 4.36Å; D453-R497 IonicContact OD2-NH1 3.65Å; D453-R497 PolarHBondContact OD2-NH1 3.47Å; F454-R497 HydrophobicContact CB-CB 4.39Å; F454-R497 HydrophobicContact CD2-CB 4.29Å; E457-R497 HydrophobicContact CB-CG 4.36Å; E457-R497 HydrophobicContact CG-CG 3.95Å; A493-R497 WeakPolarHBondContact O-CG 3.44Å; A493-R497 PolarHBondContact O-N 2.98Å; V494-R497 PolarHBondContact O-N 2.7Å; L495-R497 VanDerWaalsContact C-N 3.28Å; L495-R497 PolarHBondContact O-N 3.31Å; R497-S500 WeakPolarHBondContact O-CB 3.39Å; R497-S500 PolarHBondContact O-N 3.4Å; R497-L501 WeakPolarHBondContact O-CB 3.04Å; R497-L501 PolarHBondContact O-N 3.37Å |
| 498 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 176.3 | -70.6 | 170.6 | 0 | 0 | 0 | 112.3 | L368 A398 L401 H402 I405 F454 V494 L495 S500 L501 H502 | L368-L498 HydrophobicContact CD2-CB 3.68Å; L368-L498 HydrophobicContact CD2-CD1 4.24Å; A398-L498 HydrophobicContact CB-CD1 3.84Å; L401-L498 HydrophobicContact CD2-CD1 4.47Å; H402-L498 HydrophobicContact CB-CD2 3.79Å; I405-L498 HydrophobicContact CD1-CD2 4.34Å; F454-L498 HydrophobicContact CD2-CD2 3.97Å; F454-L498 HydrophobicContact CD2-CG 4.14Å; F454-L498 HydrophobicContact CE2-CD1 4.27Å; F454-L498 HydrophobicContact CE2-CD2 3.51Å; F454-L498 HydrophobicContact CE2-CG 3.75Å; F454-L498 HydrophobicContact CZ-CD2 4.15Å; V494-L498 HydrophobicContact CG1-CD1 4.46Å; V494-L498 PolarHBondContact O-N 3.47Å; V494-L498 VanDerWaalsContact O-N 3.1Å; L495-L498 PolarHBondContact O-N 3.26Å; L498-S500 VanDerWaalsContact C-N 3.35Å; L498-L501 PolarHBondContact O-N 3.39Å; L498-H502 WeakPolarHBondContact O-CB 3.33Å; L498-H502 PolarHBondContact O-N 3.34Å |
| 499 | E | 95.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 17 Ų | 17 | 18% | 0.178 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.3 | -72.5 | 176.8 | 178.7 | 0 | 0 | 111.1 | L368 R372 V442 L495 I496 H502 L503 | L368-E499 HydrophobicContact CD1-CG 4.2Å; R372-E499 IonicContact CZ-OE1 2.84Å; R372-E499 IonicContact NH1-OE1 3.79Å; R372-E499 PolarHBondContact NH1-OE1 2.87Å; R372-E499 IonicContact NH1-OE2 2.81Å; R372-E499 PolarHBondContact NH1-OE2 3.13Å; V442-E499 HydrophobicContact CG2-CB 4.11Å; L495-E499 WeakPolarHBondContact O-CG 3.37Å; L495-E499 PolarHBondContact O-N 3.44Å; I496-E499 PolarHBondContact O-N 3.1Å; E499-H502 PolarHBondContact O-N 3Å; E499-L503 VanDerWaalsContact O-CB 3.26Å; E499-L503 WeakPolarHBondContact O-CB 3.38Å; E499-L503 PolarHBondContact O-N 3.34Å |
| 500 | S | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 176.9 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | V442 R443 H450 I496 R497 L498 T504 | V442-S500 WeakPolarHBondContact CA-OG 3.26Å; R443-S500 PolarHBondContact N-OG 2.89Å; R443-S500 VanDerWaalsContact N-OG 3.1Å; R443-S500 VanDerWaalsContact O-CB 3.27Å; R443-S500 WeakPolarHBondContact O-CB 3.34Å; H450-S500 PolarHBondContact CE1-O 3.13Å; I496-S500 VanDerWaalsContact O-CB 3.22Å; I496-S500 WeakPolarHBondContact O-CB 3.49Å; I496-S500 PolarHBondContact O-N 3.28Å; I496-S500 PolarHBondContact O-OG 3.01Å; R497-S500 WeakPolarHBondContact O-CB 3.39Å; R497-S500 PolarHBondContact O-N 3.4Å; L498-S500 VanDerWaalsContact C-N 3.35Å; S500-T504 VanDerWaalsContact O-CB 3.32Å; S500-T504 WeakPolarHBondContact O-CB 3.27Å; S500-T504 PolarHBondContact O-N 3.34Å; S500-T504 PolarHBondContact O-OG1 3.34Å |
| 501 | L | 97 | Very high | 95.5 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 2% | 0.016 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 176.1 | 173.3 | 63.4 | 0 | 0 | 0 | 110.8 | H402 I405 L406 L447 H450 R497 L498 L503 T504 L505 | H402-L501 WeakPolarHBondContact CD2-CD2 3.38Å; I405-L501 HydrophobicContact CB-CD2 4.35Å; I405-L501 HydrophobicContact CG2-CD2 3.8Å; I405-L501 HydrophobicContact CG2-CG 3.79Å; L406-L501 HydrophobicContact CD2-CD1 4.15Å; L406-L501 HydrophobicContact CD2-CD2 4.16Å; L406-L501 HydrophobicContact CG-CD2 4.36Å; L447-L501 HydrophobicContact CD1-CD1 3.84Å; H450-L501 HydrophobicContact CB-CB 4.37Å; H450-L501 HydrophobicContact CB-CD1 3.84Å; H450-L501 PolarHBondContact CE1-N 3.07Å; R497-L501 WeakPolarHBondContact O-CB 3.04Å; R497-L501 PolarHBondContact O-N 3.37Å; L498-L501 PolarHBondContact O-N 3.39Å; L501-L503 PolarHBondContact O-N 3.2Å; L501-T504 PolarHBondContact O-N 3.11Å; L501-L505 HydrophobicContact CD1-CD1 3.84Å; L501-L505 HydrophobicContact CD1-CG 4.12Å; L501-L505 HydrophobicContact CG-CD1 4.13Å; L501-L505 WeakPolarHBondContact O-CG 3.36Å; L501-L505 PolarHBondContact O-N 3.31Å |
| 502 | H | 96.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 10.9 Ų | 10.9 | 4% | 0.042 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.9 | -50.2 | 179.5 | 177.6 | 63.4 | 0 | 0 | 0 | 111.4 | M361 L368 I405 L498 E499 T504 L505 V506 | M361-H502 PolarHBondContact O-CE1 2.69Å; M361-H502 VanDerWaalsContact O-CE1 3.25Å; L368-H502 HydrophobicContact CD1-CB 4.02Å; I405-H502 HydrophobicContact CD1-CB 4.28Å; L498-H502 WeakPolarHBondContact O-CB 3.33Å; L498-H502 PolarHBondContact O-N 3.34Å; E499-H502 PolarHBondContact O-N 3Å; H502-T504 PolarHBondContact O-N 3.36Å; H502-L505 PolarHBondContact O-N 2.91Å; H502-V506 WeakPolarHBondContact O-CG2 3.46Å; H502-V506 PolarHBondContact O-N 3.31Å |
| 503 | L | 95.5 | Very high | 95.6 | Very high | 45 Ų | 45 | 9.1 Ų | 9.1 | 24% | 0.236 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 178.9 | -177.3 | 66.9 | 0 | 0 | 0 | 111.8 | V442 E499 L501 L505 V506 H507 | V442-L503 HydrophobicContact CG1-CD2 3.64Å; E499-L503 VanDerWaalsContact O-CB 3.26Å; E499-L503 WeakPolarHBondContact O-CB 3.38Å; E499-L503 PolarHBondContact O-N 3.34Å; L501-L503 PolarHBondContact O-N 3.2Å; L503-L505 VanDerWaalsContact C-N 3.29Å; L503-L505 PolarHBondContact O-N 2.8Å; L503-V506 PolarHBondContact O-N 2.95Å; L503-H507 VanDerWaalsContact CD1-CE1 3.5Å; L503-H507 WeakPolarHBondContact CD1-CE1 3.35Å; L503-H507 WeakPolarHBondContact CD1-NE2 3.32Å; L503-H507 VanDerWaalsContact O-CG 3.3Å; L503-H507 PolarHBondContact O-N 3.02Å |
| 504 | T | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -56.1 | -46 | 177.5 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | T420 V444 Q445 H450 S500 L501 H502 H507 C508 | T420-T504 HydrophobicContact CG2-CG2 4.06Å; V444-T504 HydrophobicContact CG1-CG2 4.16Å; Q445-T504 WeakPolarHBondContact O-CG2 3.3Å; H450-T504 PolarHBondContact CE1-OG1 3.49Å; H450-T504 WeakPolarHBondContact NE2-CB 3.33Å; H450-T504 PolarHBondContact NE2-OG1 3.46Å; S500-T504 VanDerWaalsContact O-CB 3.32Å; S500-T504 WeakPolarHBondContact O-CB 3.27Å; S500-T504 PolarHBondContact O-N 3.34Å; S500-T504 PolarHBondContact O-OG1 3.34Å; L501-T504 PolarHBondContact O-N 3.11Å; H502-T504 PolarHBondContact O-N 3.36Å; T504-H507 PolarHBondContact O-N 3.03Å; T504-C508 PolarHBondContact O-N 2.81Å; T504-C508 PolarHBondContact O-SG 3.42Å |
| 505 | L | 95.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -71.3 | -33.5 | -179.2 | -68.3 | 175.9 | 0 | 0 | 0 | 112.9 | I405 F409 L416 L447 L501 H502 L503 H507 C508 Y509 | I405-L505 HydrophobicContact CG2-CD1 3.37Å; F409-L505 HydrophobicContact CD2-CB 4.11Å; F409-L505 HydrophobicContact CD2-CD1 3.92Å; F409-L505 HydrophobicContact CD2-CD2 4.31Å; F409-L505 HydrophobicContact CD2-CG 4.36Å; F409-L505 HydrophobicContact CE2-CB 3.54Å; F409-L505 HydrophobicContact CE2-CD1 4.11Å; F409-L505 HydrophobicContact CE2-CG 4.28Å; F409-L505 HydrophobicContact CG-CD2 4.41Å; F409-L505 HydrophobicContact CZ-CB 3.78Å; F409-L505 VanDerWaalsContact CZ-O 3.22Å; F409-L505 WeakPolarHBondContact CZ-O 3.45Å; L416-L505 HydrophobicContact CD1-CD2 3.84Å; L416-L505 HydrophobicContact CD2-CD2 3.95Å; L416-L505 HydrophobicContact CG-CD2 4.2Å; L447-L505 HydrophobicContact CD1-CD2 4.39Å; L501-L505 HydrophobicContact CD1-CD1 3.84Å; L501-L505 HydrophobicContact CD1-CG 4.12Å; L501-L505 HydrophobicContact CG-CD1 4.13Å; L501-L505 WeakPolarHBondContact O-CG 3.36Å; L501-L505 PolarHBondContact O-N 3.31Å; H502-L505 PolarHBondContact O-N 2.91Å; L503-L505 VanDerWaalsContact C-N 3.29Å; L503-L505 PolarHBondContact O-N 2.8Å; L505-H507 VanDerWaalsContact C-N 3.34Å; L505-C508 WeakPolarHBondContact O-CB 3.39Å; L505-C508 PolarHBondContact O-N 3.47Å; L505-Y509 PolarHBondContact O-N 3.44Å |
| 506 | V | 95.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.012 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 169.7 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | F231 H235 M361 H502 L503 Y509 I510 | F231-V506 HydrophobicContact CE1-CG1 4.35Å; F231-V506 HydrophobicContact CZ-CG1 4.29Å; F231-V506 HydrophobicContact CZ-CG2 4.08Å; H235-V506 HydrophobicContact CB-CG1 3.91Å; M361-V506 HydrophobicContact CB-CG2 4.32Å; M361-V506 HydrophobicContact CG-CG2 4.15Å; M361-V506 HydrophobicContact SD-CG2 4.03Å; H502-V506 WeakPolarHBondContact O-CG2 3.46Å; H502-V506 PolarHBondContact O-N 3.31Å; L503-V506 PolarHBondContact O-N 2.95Å; V506-Y509 WeakPolarHBondContact O-CB 3.4Å; V506-Y509 PolarHBondContact O-N 3.03Å; V506-I510 HydrophobicContact CG1-CD1 4.07Å; V506-I510 WeakPolarHBondContact O-CG1 3.29Å; V506-I510 PolarHBondContact O-N 2.97Å |
| 507 | H | 96 | Very high | 95.6 | Very high | 7 Ų | 7 | 10 Ų | 10 | 3% | 0.032 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 175.9 | -64.6 | 165.3 | 0 | 0 | 0 | 112.7 | L239 Y241 L423 L503 T504 L505 Y509 I510 V511 | L239-H507 HydrophobicContact CD1-CB 4.26Å; Y241-H507 AromaticContact CE1-CE1 3.93Å; Y241-H507 AromaticContact CE1-ND1 3.82Å; Y241-H507 AromaticContact CZ-ND1 3.64Å; Y241-H507 WeakPolarHBondContact OH-CB 3.43Å; Y241-H507 VanDerWaalsContact OH-CG 3.32Å; Y241-H507 PolarHBondContact OH-ND1 3.44Å; L423-H507 HydrophobicContact CD1-CB 4.29Å; L423-H507 HydrophobicContact CD2-CB 4.49Å; L503-H507 VanDerWaalsContact CD1-CE1 3.5Å; L503-H507 WeakPolarHBondContact CD1-CE1 3.35Å; L503-H507 WeakPolarHBondContact CD1-NE2 3.32Å; L503-H507 VanDerWaalsContact O-CG 3.3Å; L503-H507 PolarHBondContact O-N 3.02Å; T504-H507 PolarHBondContact O-N 3.03Å; L505-H507 VanDerWaalsContact C-N 3.34Å; H507-Y509 VanDerWaalsContact C-N 3.29Å; H507-Y509 PolarHBondContact O-N 3.14Å; H507-I510 PolarHBondContact O-N 2.86Å; H507-V511 WeakPolarHBondContact O-CG2 3.33Å; H507-V511 PolarHBondContact O-N 3.5Å |
| 508 | C | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -55.7 | -45.8 | 169.8 | -72 | 0 | 0 | 0 | 0 | 111.5 | L416 L419 T420 L423 T504 L505 V511 G512 | L416-C508 HydrophobicContact CD1-CB 4.05Å; L419-C508 HydrophobicContact CD2-CB 3.85Å; L419-C508 VanDerWaalsContact CD2-O 3.28Å; L419-C508 WeakPolarHBondContact CD2-O 3.17Å; L419-C508 HydrophobicContact CG-CB 4.41Å; T420-C508 WeakPolarHBondContact CG2-SG 3.26Å; L423-C508 HydrophobicContact CD1-CB 4.15Å; L423-C508 WeakPolarHBondContact CD1-SG 3.43Å; T504-C508 PolarHBondContact O-N 2.81Å; T504-C508 PolarHBondContact O-SG 3.42Å; L505-C508 WeakPolarHBondContact O-CB 3.39Å; L505-C508 PolarHBondContact O-N 3.47Å; C508-V511 PolarHBondContact O-N 3.16Å; C508-G512 PolarHBondContact O-N 3.27Å |
| 509 | Y | 95.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 179.4 | -173.8 | -106 | 0 | 0 | 0 | 112 | C346 F347 V354 K357 L358 M361 F409 L505 V506 H507 G512 M513 | C346-Y509 VanDerWaalsContact O-CD2 3.26Å; C346-Y509 WeakPolarHBondContact O-CD2 3.37Å; C346-Y509 WeakPolarHBondContact O-CE2 3.22Å; F347-Y509 HydrophobicContact CB-CE2 4.31Å; F347-Y509 HydrophobicContact CD2-CE1 4.07Å; F347-Y509 AromaticContact CD2-CE2 3.78Å; F347-Y509 HydrophobicContact CD2-CE2 3.78Å; F347-Y509 AromaticContact CD2-CZ 3.51Å; F347-Y509 WeakPolarHBondContact CD2-OH 3.48Å; F347-Y509 HydrophobicContact CE2-CE1 4.43Å; F347-Y509 HydrophobicContact CG-CE2 4.49Å; V354-Y509 WeakPolarHBondContact CA-OH 3.31Å; V354-Y509 WeakPolarHBondContact CG1-OH 3.5Å; V354-Y509 WeakPolarHBondContact CG2-OH 3.39Å; K357-Y509 HydrophobicContact CB-CE2 4.4Å; K357-Y509 HydrophobicContact CG-CD2 4.01Å; K357-Y509 HydrophobicContact CG-CE1 4.32Å; K357-Y509 HydrophobicContact CG-CE2 3.59Å; L358-Y509 HydrophobicContact CD2-CD1 4.31Å; L358-Y509 HydrophobicContact CD2-CE1 3.96Å; M361-Y509 HydrophobicContact CE-CD1 4.1Å; M361-Y509 HydrophobicContact CE-CD2 4.27Å; M361-Y509 HydrophobicContact CE-CG 3.76Å; M361-Y509 HydrophobicContact SD-CD1 4.37Å; F409-Y509 HydrophobicContact CE1-CD2 4.41Å; L505-Y509 PolarHBondContact O-N 3.44Å; V506-Y509 WeakPolarHBondContact O-CB 3.4Å; V506-Y509 PolarHBondContact O-N 3.03Å; H507-Y509 VanDerWaalsContact C-N 3.29Å; H507-Y509 PolarHBondContact O-N 3.14Å; Y509-G512 PolarHBondContact O-N 2.87Å; Y509-M513 PolarHBondContact O-N 2.98Å |
| 510 | I | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 176.1 | -70 | 168.8 | 0 | 0 | 0 | 110.7 | L232 H235 M236 L239 V506 H507 G512 M513 L514 | L232-I510 HydrophobicContact CD1-CD1 4.4Å; L232-I510 HydrophobicContact CD1-CG1 3.88Å; H235-I510 HydrophobicContact CB-CD1 3.64Å; M236-I510 HydrophobicContact CG-CD1 3.96Å; M236-I510 HydrophobicContact CG-CG1 4.14Å; M236-I510 HydrophobicContact CG-CG2 3.72Å; M236-I510 HydrophobicContact SD-CG2 4.46Å; L239-I510 HydrophobicContact CD2-CB 4.29Å; L239-I510 HydrophobicContact CD2-CG2 3.69Å; V506-I510 HydrophobicContact CG1-CD1 4.07Å; V506-I510 WeakPolarHBondContact O-CG1 3.29Å; V506-I510 PolarHBondContact O-N 2.97Å; H507-I510 PolarHBondContact O-N 2.86Å; I510-G512 VanDerWaalsContact C-N 3.29Å; I510-G512 PolarHBondContact O-N 3.07Å; I510-M513 CarbonylContact O-C 3.53Å; I510-M513 WeakPolarHBondContact O-CA 3.5Å; I510-M513 VanDerWaalsContact O-CB 3.27Å; I510-M513 WeakPolarHBondContact O-CB 3.39Å; I510-M513 PolarHBondContact O-N 3.4Å; I510-L514 HydrophobicContact CG2-CD1 4.31Å; I510-L514 HydrophobicContact CG2-CG 4.35Å; I510-L514 WeakPolarHBondContact O-CG 3.28Å; I510-L514 PolarHBondContact O-N 2.92Å |
| 511 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 178.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | L239 L242 L246 L419 L423 W426 H507 C508 M513 L514 N515 | L239-V511 HydrophobicContact CD2-CG2 4.31Å; L242-V511 HydrophobicContact CD2-CG2 3.72Å; L246-V511 HydrophobicContact CD1-CG1 4.36Å; L419-V511 HydrophobicContact CD1-CB 4.46Å; L419-V511 HydrophobicContact CD1-CG1 3.84Å; L423-V511 HydrophobicContact CD2-CG2 3.95Å; W426-V511 HydrophobicContact CZ3-CG1 4.28Å; H507-V511 WeakPolarHBondContact O-CG2 3.33Å; H507-V511 PolarHBondContact O-N 3.5Å; C508-V511 PolarHBondContact O-N 3.16Å; V511-M513 VanDerWaalsContact C-N 3.27Å; V511-M513 PolarHBondContact O-N 2.92Å; V511-L514 PolarHBondContact O-N 3.46Å; V511-N515 WeakPolarHBondContact O-CB 3.44Å; V511-N515 PolarHBondContact O-N 2.78Å; V511-N515 PolarHBondContact O-ND2 3.11Å |
| 512 | G | 94.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.7 | -39 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S344 C508 Y509 I510 C516 | S344-G512 WeakPolarHBondContact CB-O 3.32Å; S344-G512 PolarHBondContact OG-O 3.2Å; C508-G512 PolarHBondContact O-N 3.27Å; Y509-G512 PolarHBondContact O-N 2.87Å; I510-G512 VanDerWaalsContact C-N 3.29Å; I510-G512 PolarHBondContact O-N 3.07Å; G512-C516 VanDerWaalsContact O-CB 3.24Å; G512-C516 WeakPolarHBondContact O-CB 3.28Å; G512-C516 PolarHBondContact O-N 3.25Å |
| 513 | M | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.8 | -47.6 | 173.9 | -177.7 | -178.5 | 179.3 | 0 | 0 | 112 | L232 F347 Y509 I510 V511 N515 C516 L517 F526 Y527 | L232-M513 HydrophobicContact CD2-CE 4.33Å; L232-M513 HydrophobicContact CD2-SD 4.01Å; F347-M513 HydrophobicContact CB-CB 4.49Å; F347-M513 HydrophobicContact CD1-CB 4.39Å; F347-M513 HydrophobicContact CD2-CB 3.58Å; F347-M513 HydrophobicContact CD2-CG 3.93Å; F347-M513 HydrophobicContact CE1-CG 4.22Å; F347-M513 HydrophobicContact CE2-CB 3.78Å; F347-M513 HydrophobicContact CE2-CG 3.57Å; F347-M513 HydrophobicContact CE2-SD 3.95Å; F347-M513 HydrophobicContact CG-CB 3.91Å; F347-M513 HydrophobicContact CG-CG 4.41Å; F347-M513 HydrophobicContact CZ-CB 4.28Å; F347-M513 HydrophobicContact CZ-CG 3.73Å; F347-M513 HydrophobicContact CZ-SD 4.37Å; Y509-M513 PolarHBondContact O-N 2.98Å; I510-M513 CarbonylContact O-C 3.53Å; I510-M513 WeakPolarHBondContact O-CA 3.5Å; I510-M513 VanDerWaalsContact O-CB 3.27Å; I510-M513 WeakPolarHBondContact O-CB 3.39Å; I510-M513 PolarHBondContact O-N 3.4Å; V511-M513 VanDerWaalsContact C-N 3.27Å; V511-M513 PolarHBondContact O-N 2.92Å; M513-N515 PolarHBondContact O-N 3.42Å; M513-C516 PolarHBondContact O-N 2.79Å; M513-C516 VanDerWaalsContact O-N 3.13Å; M513-L517 HydrophobicContact CE-CD1 3.68Å; M513-L517 HydrophobicContact CG-CD1 3.92Å; M513-L517 WeakPolarHBondContact O-CB 3.28Å; M513-L517 PolarHBondContact O-N 3.15Å; M513-F526 HydrophobicContact CE-CD1 3.88Å; M513-F526 HydrophobicContact CE-CE1 3.42Å; M513-F526 VanDerWaalsContact CE-CE1 3.42Å; M513-F526 HydrophobicContact CE-CZ 3.88Å; M513-Y527 HydrophobicContact CE-CE1 4.23Å; M513-Y527 WeakPolarHBondContact CE-OH 3.31Å |
| 514 | L | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -33.7 | 178.4 | -61.7 | -179.3 | 0 | 0 | 0 | 112.4 | L242 K250 H253 I510 V511 | L242-L514 HydrophobicContact CD1-CD1 3.83Å; K250-L514 HydrophobicContact CB-CD1 3.84Å; K250-L514 HydrophobicContact CB-CD2 4.3Å; K250-L514 HydrophobicContact CG-CD1 4.22Å; H253-L514 HydrophobicContact CB-CD2 4.13Å; H253-L514 WeakPolarHBondContact CD2-CD2 3.33Å; I510-L514 HydrophobicContact CG2-CD1 4.31Å; I510-L514 HydrophobicContact CG2-CG 4.35Å; I510-L514 WeakPolarHBondContact O-CG 3.28Å; I510-L514 PolarHBondContact O-N 2.92Å; V511-L514 PolarHBondContact O-N 3.46Å |
| 515 | N | 94.1 | Very high | 94 | Very high | 53 Ų | 53 | 22.1 Ų | 22.1 | 28% | 0.283 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -76.4 | -36.3 | 175.2 | -74.7 | -26.2 | 0 | 0 | 0 | 112.2 | L246 V511 M513 | L246-N515 WeakPolarHBondContact CD2-OD1 3.44Å; V511-N515 WeakPolarHBondContact O-CB 3.44Å; V511-N515 PolarHBondContact O-N 2.78Å; V511-N515 PolarHBondContact O-ND2 3.11Å; M513-N515 PolarHBondContact O-N 3.42Å |
| 516 | C | 94.6 | Very high | 94 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.3 | -42.5 | 177.6 | -176 | 0 | 0 | 0 | 0 | 112.1 | I342 F347 G512 M513 A518 | I342-C516 PolarHBondContact N-O 3.46Å; I342-C516 VanDerWaalsContact O-CA 3.29Å; I342-C516 WeakPolarHBondContact O-CA 3.29Å; I342-C516 WeakPolarHBondContact O-CB 3.39Å; I342-C516 PolarHBondContact O-SG 2.73Å; F347-C516 HydrophobicContact CD1-CB 3.57Å; F347-C516 HydrophobicContact CE1-CB 4.11Å; F347-C516 HydrophobicContact CG-CB 4.49Å; G512-C516 VanDerWaalsContact O-CB 3.24Å; G512-C516 WeakPolarHBondContact O-CB 3.28Å; G512-C516 PolarHBondContact O-N 3.25Å; M513-C516 PolarHBondContact O-N 2.79Å; M513-C516 VanDerWaalsContact O-N 3.13Å; C516-A518 PolarHBondContact O-N 2.61Å |
| 517 | L | 94.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 58.1 | -179.6 | -64 | 171.3 | 0 | 0 | 0 | 110.4 | L337 T341 F347 M513 T519 A522 V523 F526 | L337-L517 HydrophobicContact CD1-CD2 3.87Å; T341-L517 HydrophobicContact CG2-CD2 3.83Å; F347-L517 HydrophobicContact CE1-CD1 4.48Å; F347-L517 HydrophobicContact CZ-CD1 4.43Å; M513-L517 HydrophobicContact CE-CD1 3.68Å; M513-L517 HydrophobicContact CG-CD1 3.92Å; M513-L517 WeakPolarHBondContact O-CB 3.28Å; M513-L517 PolarHBondContact O-N 3.15Å; L517-T519 VanDerWaalsContact C-N 3.3Å; L517-T519 PolarHBondContact O-N 3.33Å; L517-A522 HydrophobicContact CD2-CB 3.9Å; L517-V523 HydrophobicContact CB-CG2 4.04Å; L517-V523 WeakPolarHBondContact O-CG2 3.48Å; L517-F526 HydrophobicContact CD1-CB 4.03Å; L517-F526 HydrophobicContact CD1-CD1 4.13Å; L517-F526 HydrophobicContact CD1-CD2 3.9Å; L517-F526 HydrophobicContact CD1-CE2 4.42Å; L517-F526 HydrophobicContact CD1-CG 3.75Å; L517-F526 HydrophobicContact CD2-CB 4.19Å; L517-F526 HydrophobicContact CD2-CD2 4.45Å |
| 518 | A | 91.2 | Very high | 93.7 | Very high | 35 Ų | 35 | 25.6 Ų | 25.6 | 29% | 0.289 | 14% | 0.144 | S | C | . | . | trans | -71.4 | -18.8 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | I342 C516 | I342-A518 HydrophobicContact CD1-CB 4.01Å; C516-A518 PolarHBondContact O-N 2.61Å | ||
| 519 | T | 91.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 25.8 Ų | 25.8 | 43% | 0.429 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -108.5 | 147.7 | -176.6 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | L517 E521 A522 V523 | L517-T519 VanDerWaalsContact C-N 3.3Å; L517-T519 PolarHBondContact O-N 3.33Å; T519-E521 PolarHBondContact O-N 3.16Å; T519-A522 PolarHBondContact O-N 3.38Å; T519-A522 VanDerWaalsContact O-N 3.11Å; T519-A522 WeakPolarHBondContact OG1-CB 3.24Å; T519-A522 PolarHBondContact OG1-N 3.38Å; T519-V523 WeakPolarHBondContact O-CG2 3.47Å; T519-V523 PolarHBondContact O-N 3.29Å |
| 520 | A | 90.4 | Very high | 93.5 | Very high | 72 Ų | 72 | 25.6 Ų | 25.6 | 60% | 0.595 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -57.6 | -33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H524 | A520-H524 VanDerWaalsContact O-CB 3.29Å; A520-H524 WeakPolarHBondContact O-CB 3.43Å; A520-H524 PolarHBondContact O-N 3.45Å |
| 521 | E | 90.6 | Very high | 93.2 | Very high | 106 Ų | 106 | 26 Ų | 26 | 50% | 0.495 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 175.6 | -176.1 | 178.3 | 177 | 0 | 0 | 112.3 | T519 H524 T525 | T519-E521 PolarHBondContact O-N 3.16Å; E521-H524 PolarHBondContact O-N 2.93Å; E521-T525 VanDerWaalsContact O-CB 3.3Å; E521-T525 WeakPolarHBondContact O-CB 3.47Å; E521-T525 PolarHBondContact O-N 3Å; E521-T525 PolarHBondContact O-OG1 3.18Å |
| 522 | A | 93 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N340 L517 T519 T525 F526 | N340-A522 HydrophobicContact CB-CB 4.47Å; L517-A522 HydrophobicContact CD2-CB 3.9Å; T519-A522 PolarHBondContact O-N 3.38Å; T519-A522 VanDerWaalsContact O-N 3.11Å; T519-A522 WeakPolarHBondContact OG1-CB 3.24Å; T519-A522 PolarHBondContact OG1-N 3.38Å; A522-T525 PolarHBondContact O-N 3.23Å; A522-F526 WeakPolarHBondContact O-CB 3.41Å; A522-F526 PolarHBondContact O-N 3.1Å |
| 523 | V | 94.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | V252 H253 A256 L517 T519 T525 F526 Y527 | V252-V523 HydrophobicContact CG1-CG1 4.14Å; H253-V523 VanDerWaalsContact NE2-CG2 3.26Å; H253-V523 WeakPolarHBondContact NE2-CG2 3.49Å; A256-V523 HydrophobicContact CB-CG1 4.23Å; L517-V523 HydrophobicContact CB-CG2 4.04Å; L517-V523 WeakPolarHBondContact O-CG2 3.48Å; T519-V523 WeakPolarHBondContact O-CG2 3.47Å; T519-V523 PolarHBondContact O-N 3.29Å; V523-T525 VanDerWaalsContact C-N 3.35Å; V523-T525 PolarHBondContact O-N 3.18Å; V523-F526 PolarHBondContact O-N 3.06Å; V523-Y527 HydrophobicContact CG1-CD2 3.73Å; V523-Y527 HydrophobicContact CG1-CE2 3.5Å; V523-Y527 VanDerWaalsContact CG1-CE2 3.5Å; V523-Y527 WeakPolarHBondContact O-CD2 3.43Å; V523-Y527 PolarHBondContact O-N 2.78Å; V523-Y527 VanDerWaalsContact O-N 3.13Å |
| 524 | H | 91.6 | Very high | 92.9 | Very high | 96 Ų | 96 | 27.6 Ų | 27.6 | 44% | 0.444 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.1 | -43 | 179 | -174.3 | 59.8 | 0 | 0 | 0 | 112.1 | A520 E521 K528 | A520-H524 VanDerWaalsContact O-CB 3.29Å; A520-H524 WeakPolarHBondContact O-CB 3.43Å; A520-H524 PolarHBondContact O-N 3.45Å; E521-H524 PolarHBondContact O-N 2.93Å; H524-K528 WeakPolarHBondContact CE1-CE 3.45Å; H524-K528 WeakPolarHBondContact NE2-CE 3.45Å; H524-K528 PolarHBondContact NE2-NZ 3.23Å; H524-K528 VanDerWaalsContact O-CB 3.28Å; H524-K528 WeakPolarHBondContact O-CB 3.36Å; H524-K528 WeakPolarHBondContact O-CG 3.42Å; H524-K528 PolarHBondContact O-N 3.06Å |
| 525 | T | 93.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | L337 E521 A522 V523 K528 L529 | L337-T525 HydrophobicContact CB-CG2 4.24Å; L337-T525 HydrophobicContact CD1-CG2 4.37Å; E521-T525 VanDerWaalsContact O-CB 3.3Å; E521-T525 WeakPolarHBondContact O-CB 3.47Å; E521-T525 PolarHBondContact O-N 3Å; E521-T525 PolarHBondContact O-OG1 3.18Å; A522-T525 PolarHBondContact O-N 3.23Å; V523-T525 VanDerWaalsContact C-N 3.35Å; V523-T525 PolarHBondContact O-N 3.18Å; T525-K528 PolarHBondContact O-N 3.31Å; T525-L529 WeakPolarHBondContact O-CB 3.35Å; T525-L529 PolarHBondContact O-N 3.01Å |
| 526 | F | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 178 | -178.5 | -90.8 | 0 | 0 | 0 | 112.4 | L337 F347 L351 V354 M513 L517 A522 V523 L529 L530 | L337-F526 HydrophobicContact CD1-CB 4.2Å; L337-F526 HydrophobicContact CD2-CB 4.46Å; L337-F526 HydrophobicContact CD2-CD2 4.02Å; F347-F526 AromaticContact CZ-CE2 3.96Å; F347-F526 HydrophobicContact CZ-CE2 3.96Å; F347-F526 HydrophobicContact CZ-CZ 4.21Å; L351-F526 HydrophobicContact CD2-CD2 4.32Å; L351-F526 HydrophobicContact CD2-CE1 3.87Å; L351-F526 HydrophobicContact CD2-CE2 3.62Å; L351-F526 HydrophobicContact CD2-CZ 3.37Å; L351-F526 HydrophobicContact CG-CE2 4.24Å; L351-F526 HydrophobicContact CG-CZ 4.43Å; V354-F526 HydrophobicContact CG2-CZ 4.38Å; M513-F526 HydrophobicContact CE-CD1 3.88Å; M513-F526 HydrophobicContact CE-CE1 3.42Å; M513-F526 VanDerWaalsContact CE-CE1 3.42Å; M513-F526 HydrophobicContact CE-CZ 3.88Å; L517-F526 HydrophobicContact CD1-CB 4.03Å; L517-F526 HydrophobicContact CD1-CD1 4.13Å; L517-F526 HydrophobicContact CD1-CD2 3.9Å; L517-F526 HydrophobicContact CD1-CE2 4.42Å; L517-F526 HydrophobicContact CD1-CG 3.75Å; L517-F526 HydrophobicContact CD2-CB 4.19Å; L517-F526 HydrophobicContact CD2-CD2 4.45Å; A522-F526 WeakPolarHBondContact O-CB 3.41Å; A522-F526 PolarHBondContact O-N 3.1Å; V523-F526 PolarHBondContact O-N 3.06Å; F526-L529 WeakPolarHBondContact O-CB 3.5Å; F526-L529 PolarHBondContact O-N 3.3Å; F526-L530 PolarHBondContact O-N 2.95Å |
| 527 | Y | 93.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -77.2 | -30.6 | -179 | -64.2 | -59.1 | 0 | 0 | 0 | 113.4 | H253 A256 L257 M513 V523 L529 L530 C531 | H253-Y527 HydrophobicContact CB-CE2 4.38Å; H253-Y527 AromaticContact ND1-CE2 3.86Å; H253-Y527 AromaticContact ND1-CZ 3.8Å; H253-Y527 PolarHBondContact ND1-OH 3.37Å; A256-Y527 HydrophobicContact CB-CD2 3.36Å; A256-Y527 HydrophobicContact CB-CE2 3.76Å; A256-Y527 HydrophobicContact CB-CG 4.22Å; L257-Y527 HydrophobicContact CB-CD1 4.17Å; L257-Y527 HydrophobicContact CB-CE1 3.65Å; L257-Y527 HydrophobicContact CB-CE2 4.39Å; L257-Y527 HydrophobicContact CD1-CD1 4.01Å; L257-Y527 HydrophobicContact CD1-CE1 3.81Å; L257-Y527 HydrophobicContact CD2-CE1 4.41Å; L257-Y527 HydrophobicContact CG-CE1 4.15Å; M513-Y527 HydrophobicContact CE-CE1 4.23Å; M513-Y527 WeakPolarHBondContact CE-OH 3.31Å; V523-Y527 HydrophobicContact CG1-CD2 3.73Å; V523-Y527 HydrophobicContact CG1-CE2 3.5Å; V523-Y527 VanDerWaalsContact CG1-CE2 3.5Å; V523-Y527 WeakPolarHBondContact O-CD2 3.43Å; V523-Y527 PolarHBondContact O-N 2.78Å; V523-Y527 VanDerWaalsContact O-N 3.13Å; Y527-L529 VanDerWaalsContact C-N 3.32Å; Y527-L530 HydrophobicContact CD1-CD2 4.37Å; Y527-L530 WeakPolarHBondContact O-CB 3.46Å; Y527-L530 PolarHBondContact O-N 2.97Å; Y527-C531 WeakPolarHBondContact O-CB 3.42Å; Y527-C531 PolarHBondContact O-N 3.07Å |
| 528 | K | 93 | Very high | 92.4 | Very high | 77 Ų | 77 | 26 Ų | 26 | 34% | 0.335 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 167.1 | -82.5 | -172 | 159.4 | -175 | 0 | 111.7 | M333 H524 T525 L530 C531 R532 | M333-K528 HydrophobicContact CE-CB 3.87Å; H524-K528 WeakPolarHBondContact CE1-CE 3.45Å; H524-K528 WeakPolarHBondContact NE2-CE 3.45Å; H524-K528 PolarHBondContact NE2-NZ 3.23Å; H524-K528 VanDerWaalsContact O-CB 3.28Å; H524-K528 WeakPolarHBondContact O-CB 3.36Å; H524-K528 WeakPolarHBondContact O-CG 3.42Å; H524-K528 PolarHBondContact O-N 3.06Å; T525-K528 PolarHBondContact O-N 3.31Å; K528-L530 VanDerWaalsContact C-N 3.33Å; K528-C531 PolarHBondContact O-N 3.25Å; K528-R532 WeakPolarHBondContact O-CB 3.34Å; K528-R532 PolarHBondContact O-N 3.28Å |
| 529 | L | 94 | Very high | 92.5 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 175.6 | -176.5 | 71.3 | 0 | 0 | 0 | 110.3 | L330 M333 V334 L337 L351 T525 F526 Y527 R532 Y533 | L330-L529 HydrophobicContact CD2-CD1 3.61Å; M333-L529 HydrophobicContact CB-CD1 3.7Å; M333-L529 HydrophobicContact CE-CB 4.01Å; M333-L529 HydrophobicContact CE-CD1 4.38Å; M333-L529 HydrophobicContact SD-CD1 4.34Å; V334-L529 HydrophobicContact CG2-CD1 4.05Å; V334-L529 HydrophobicContact CG2-CD2 3.82Å; L337-L529 HydrophobicContact CD2-CD2 3.87Å; L351-L529 HydrophobicContact CD1-CB 4.08Å; L351-L529 HydrophobicContact CD1-CD2 3.59Å; L351-L529 HydrophobicContact CD1-CG 3.55Å; L351-L529 HydrophobicContact CG-CD2 4.22Å; T525-L529 WeakPolarHBondContact O-CB 3.35Å; T525-L529 PolarHBondContact O-N 3.01Å; F526-L529 WeakPolarHBondContact O-CB 3.5Å; F526-L529 PolarHBondContact O-N 3.3Å; Y527-L529 VanDerWaalsContact C-N 3.32Å; L529-R532 PolarHBondContact O-N 3.46Å; L529-Y533 HydrophobicContact CD1-CD2 4.08Å; L529-Y533 HydrophobicContact CD1-CE2 3.86Å; L529-Y533 HydrophobicContact CD2-CE2 4.29Å; L529-Y533 HydrophobicContact CG-CD2 3.89Å; L529-Y533 HydrophobicContact CG-CE2 3.89Å; L529-Y533 WeakPolarHBondContact O-CD2 3.39Å; L529-Y533 PolarHBondContact O-N 3.37Å |
| 530 | L | 92.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.3 | -53.4 | 174.6 | 170.9 | 58.7 | 0 | 0 | 0 | 112.2 | W229 L257 L351 F526 Y527 K528 R532 Y533 A534 L626 | W229-L530 HydrophobicContact CD2-CD1 4.23Å; W229-L530 HydrophobicContact CD2-CD2 3.85Å; W229-L530 VanDerWaalsContact CE2-CD1 3.43Å; W229-L530 HydrophobicContact CE3-CD2 4.27Å; W229-L530 HydrophobicContact CG-CD2 4.06Å; W229-L530 HydrophobicContact CZ2-CD1 3.65Å; W229-L530 HydrophobicContact CZ2-CD2 4.4Å; W229-L530 VanDerWaalsContact NE1-CD1 3.27Å; L257-L530 HydrophobicContact CD1-CD2 4.14Å; L351-L530 HydrophobicContact CD1-CB 4.27Å; L351-L530 HydrophobicContact CD2-CB 4.19Å; F526-L530 PolarHBondContact O-N 2.95Å; Y527-L530 HydrophobicContact CD1-CD2 4.37Å; Y527-L530 WeakPolarHBondContact O-CB 3.46Å; Y527-L530 PolarHBondContact O-N 2.97Å; K528-L530 VanDerWaalsContact C-N 3.33Å; L530-R532 VanDerWaalsContact C-N 3.31Å; L530-R532 PolarHBondContact O-N 2.71Å; L530-Y533 PolarHBondContact O-N 2.71Å; L530-A534 PolarHBondContact O-N 3.42Å; L530-L626 HydrophobicContact CD1-CD1 4.34Å |
| 531 | C | 90.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 5% | 0.054 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 179.2 | -95 | 0 | 0 | 0 | 0 | 111.3 | C260 Y527 K528 A534 I535 | C260-C531 VanDerWaalsContact CA-SG 3.58Å; C260-C531 WeakPolarHBondContact CB-SG 3.26Å; C260-C531 WeakPolarHBondContact SG-CB 3.35Å; C260-C531 CovalentContact SG-SG 2.07Å; C260-C531 PolarHBondContact SG-SG 3.13Å; Y527-C531 WeakPolarHBondContact O-CB 3.42Å; Y527-C531 PolarHBondContact O-N 3.07Å; K528-C531 PolarHBondContact O-N 3.25Å; C531-A534 PolarHBondContact O-N 3.32Å; C531-I535 WeakPolarHBondContact O-CG1 3.14Å; C531-I535 PolarHBondContact O-N 3.23Å; C531-I535 VanDerWaalsContact O-N 3.14Å |
| 532 | R | 93.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.5 | -49.8 | 174.6 | -169.3 | 171.7 | -164.1 | 105 | 7.4 | 111.4 | T319 A320 G324 L330 K528 L529 L530 A534 I535 V536 D592 | T319-R532 PolarHBondContact OG1-NH2 2.82Å; T319-R532 VanDerWaalsContact OG1-NH2 3.16Å; A320-R532 HydrophobicContact CB-CG 3.83Å; G324-R532 PolarHBondContact O-NH1 2.84Å; L330-R532 HydrophobicContact CD2-CB 3.95Å; L330-R532 HydrophobicContact CD2-CG 3.72Å; L330-R532 HydrophobicContact CG-CG 4.19Å; K528-R532 WeakPolarHBondContact O-CB 3.34Å; K528-R532 PolarHBondContact O-N 3.28Å; L529-R532 PolarHBondContact O-N 3.46Å; L530-R532 VanDerWaalsContact C-N 3.31Å; L530-R532 PolarHBondContact O-N 2.71Å; R532-A534 VanDerWaalsContact C-N 3.29Å; R532-A534 PolarHBondContact O-N 2.85Å; R532-I535 PolarHBondContact O-N 3.35Å; R532-V536 HydrophobicContact CG-CG2 4.04Å; R532-V536 VanDerWaalsContact O-CG2 3.22Å; R532-V536 WeakPolarHBondContact O-CG2 3.33Å; R532-V536 PolarHBondContact O-N 2.88Å; R532-D592 IonicContact CZ-OD1 2.73Å; R532-D592 IonicContact CZ-OD2 3.88Å; R532-D592 VanDerWaalsContact CZ-OD2 3.26Å; R532-D592 IonicContact NE-OD1 2.74Å; R532-D592 PolarHBondContact NE-OD1 2.97Å; R532-D592 IonicContact NE-OD2 3.56Å; R532-D592 PolarHBondContact NE-OD2 3.01Å; R532-D592 IonicContact NH2-OD1 2.71Å; R532-D592 IonicContact NH2-OD2 2.91Å; R532-D592 PolarHBondContact NH2-OD2 3.33Å |
| 533 | Y | 93.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 12.6 Ų | 12.6 | 2% | 0.024 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -53.1 | -46.3 | 175.8 | -98.4 | -75.2 | 0 | 0 | 0 | 112 | L330 L351 K352 L529 L530 I535 V536 L537 E595 M596 L599 L626 | L330-Y533 HydrophobicContact CD1-CD1 4.17Å; L330-Y533 HydrophobicContact CD1-CE1 4.1Å; L330-Y533 HydrophobicContact CD1-CG 4.44Å; L330-Y533 HydrophobicContact CD2-CD1 4.48Å; L330-Y533 HydrophobicContact CD2-CD2 3.6Å; L330-Y533 HydrophobicContact CD2-CE2 3.76Å; L330-Y533 HydrophobicContact CD2-CG 3.99Å; L351-Y533 HydrophobicContact CD1-CD2 3.56Å; L351-Y533 HydrophobicContact CD1-CE2 3.96Å; L351-Y533 HydrophobicContact CD1-CG 4.5Å; K352-Y533 WeakPolarHBondContact CE-OH 3.41Å; K352-Y533 PolarHBondContact NZ-OH 3.39Å; L529-Y533 HydrophobicContact CD1-CD2 4.08Å; L529-Y533 HydrophobicContact CD1-CE2 3.86Å; L529-Y533 HydrophobicContact CD2-CE2 4.29Å; L529-Y533 HydrophobicContact CG-CD2 3.89Å; L529-Y533 HydrophobicContact CG-CE2 3.89Å; L529-Y533 WeakPolarHBondContact O-CD2 3.39Å; L529-Y533 PolarHBondContact O-N 3.37Å; L530-Y533 PolarHBondContact O-N 2.71Å; Y533-I535 PolarHBondContact O-N 3.37Å; Y533-V536 PolarHBondContact O-N 2.8Å; Y533-L537 WeakPolarHBondContact O-CB 3.38Å; Y533-L537 PolarHBondContact O-N 3.21Å; Y533-E595 PolarHBondContact OH-OE2 2.9Å; Y533-M596 HydrophobicContact CD1-CE 3.54Å; Y533-M596 HydrophobicContact CE1-CE 3.52Å; Y533-L599 HydrophobicContact CD1-CD1 4.08Å; Y533-L599 HydrophobicContact CE1-CD1 3.91Å; Y533-L626 HydrophobicContact CD1-CD2 4.02Å; Y533-L626 HydrophobicContact CG-CD1 4.27Å; Y533-L626 HydrophobicContact CG-CD2 4.35Å |
| 534 | A | 90.3 | Very high | 93 | Very high | 23 Ų | 23 | 12.5 Ų | 12.5 | 19% | 0.19 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L264 F292 L530 C531 R532 S538 | L264-A534 HydrophobicContact CD2-CB 3.81Å; F292-A534 HydrophobicContact CE1-CB 4Å; F292-A534 HydrophobicContact CZ-CB 4.37Å; L530-A534 PolarHBondContact O-N 3.42Å; C531-A534 PolarHBondContact O-N 3.32Å; R532-A534 VanDerWaalsContact C-N 3.29Å; R532-A534 PolarHBondContact O-N 2.85Å; A534-S538 WeakPolarHBondContact O-CB 3.48Å; A534-S538 PolarHBondContact O-N 3.07Å; A534-S538 VanDerWaalsContact O-N 3.1Å |
| 535 | I | 91.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.4 | -55.7 | 177 | -70.3 | 164.5 | 0 | 0 | 0 | 110.6 | A291 F292 A320 E323 C531 R532 Y533 L537 S538 Q539 | A291-I535 HydrophobicContact CB-CD1 4.04Å; A291-I535 HydrophobicContact CB-CG1 4.2Å; A291-I535 HydrophobicContact CB-CG2 4.44Å; A291-I535 VanDerWaalsContact O-CG2 3.25Å; A291-I535 WeakPolarHBondContact O-CG2 3.21Å; F292-I535 HydrophobicContact CD2-CG1 4.14Å; F292-I535 HydrophobicContact CE1-CG1 4.06Å; F292-I535 HydrophobicContact CE2-CD1 4.44Å; F292-I535 HydrophobicContact CE2-CG1 3.62Å; F292-I535 HydrophobicContact CZ-CG1 3.53Å; A320-I535 HydrophobicContact CB-CB 4.17Å; A320-I535 HydrophobicContact CB-CD1 3.96Å; A320-I535 HydrophobicContact CB-CG2 3.84Å; E323-I535 HydrophobicContact CG-CD1 4.02Å; C531-I535 WeakPolarHBondContact O-CG1 3.14Å; C531-I535 PolarHBondContact O-N 3.23Å; C531-I535 VanDerWaalsContact O-N 3.14Å; R532-I535 PolarHBondContact O-N 3.35Å; Y533-I535 PolarHBondContact O-N 3.37Å; I535-L537 VanDerWaalsContact C-N 3.33Å; I535-L537 PolarHBondContact O-N 2.9Å; I535-S538 PolarHBondContact O-N 3.32Å; I535-Q539 VanDerWaalsContact CG2-NE2 3.34Å; I535-Q539 WeakPolarHBondContact O-CG 3.42Å; I535-Q539 PolarHBondContact O-N 3.21Å; I535-Q539 VanDerWaalsContact O-N 3.16Å |
| 536 | V | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | -173.2 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | F318 L330 R532 Y533 Q539 A540 D592 M596 | F318-V536 VanDerWaalsContact C-CG1 3.48Å; F318-V536 HydrophobicContact CB-CG1 3.53Å; F318-V536 WeakPolarHBondContact O-CG1 3.37Å; L330-V536 HydrophobicContact CD1-CB 4.5Å; L330-V536 HydrophobicContact CD1-CG2 4.42Å; R532-V536 HydrophobicContact CG-CG2 4.04Å; R532-V536 VanDerWaalsContact O-CG2 3.22Å; R532-V536 WeakPolarHBondContact O-CG2 3.33Å; R532-V536 PolarHBondContact O-N 2.88Å; Y533-V536 PolarHBondContact O-N 2.8Å; V536-Q539 PolarHBondContact O-N 3.26Å; V536-A540 WeakPolarHBondContact O-CB 3.5Å; V536-A540 PolarHBondContact O-N 2.99Å; V536-D592 HydrophobicContact CG1-CB 4.15Å; V536-D592 HydrophobicContact CG2-CB 4.35Å; V536-M596 HydrophobicContact CB-CG 3.99Å; V536-M596 HydrophobicContact CB-SD 4Å; V536-M596 HydrophobicContact CG1-CG 3.23Å; V536-M596 HydrophobicContact CG1-SD 3.93Å |
| 537 | L | 92.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 8.1 Ų | 8.1 | 9% | 0.089 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.3 | 177.1 | 63.1 | 0 | 0 | 0 | 112 | Y533 I535 Q539 A540 L541 M596 L599 L626 I629 | Y533-L537 WeakPolarHBondContact O-CB 3.38Å; Y533-L537 PolarHBondContact O-N 3.21Å; I535-L537 VanDerWaalsContact C-N 3.33Å; I535-L537 PolarHBondContact O-N 2.9Å; L537-Q539 VanDerWaalsContact C-N 3.32Å; L537-Q539 PolarHBondContact O-N 3.33Å; L537-A540 PolarHBondContact O-N 3.47Å; L537-L541 HydrophobicContact CD1-CD1 3.74Å; L537-L541 HydrophobicContact CD1-CG 3.75Å; L537-L541 HydrophobicContact CD2-CD1 4.33Å; L537-L541 HydrophobicContact CG-CD1 3.77Å; L537-L541 HydrophobicContact CG-CG 4.2Å; L537-L541 WeakPolarHBondContact O-CB 3.4Å; L537-L541 PolarHBondContact O-N 3.1Å; L537-M596 HydrophobicContact CB-SD 4.08Å; L537-L599 HydrophobicContact CD1-CD2 3.61Å; L537-L626 HydrophobicContact CD2-CD2 3.82Å; L537-I629 HydrophobicContact CD1-CD1 3.75Å; L537-I629 HydrophobicContact CD2-CD1 3.45Å; L537-I629 VanDerWaalsContact CD2-CD1 3.45Å; L537-I629 HydrophobicContact CG-CD1 4.17Å |
| 538 | S | 90.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 7.9 Ų | 7.9 | 5% | 0.049 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | F292 A534 I535 A540 T542 | F292-S538 PolarHBondContact O-OG 3.09Å; A534-S538 WeakPolarHBondContact O-CB 3.48Å; A534-S538 PolarHBondContact O-N 3.07Å; A534-S538 VanDerWaalsContact O-N 3.1Å; I535-S538 PolarHBondContact O-N 3.32Å; S538-A540 PolarHBondContact O-N 3.46Å; S538-T542 VanDerWaalsContact O-CB 3.27Å; S538-T542 WeakPolarHBondContact O-CB 3.32Å; S538-T542 PolarHBondContact O-N 3.22Å; S538-T542 PolarHBondContact O-OG1 2.77Å |
| 539 | Q | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 177.9 | -62.3 | 174.5 | 12.2 | 0 | 0 | 111.6 | A291 P294 F318 T319 I535 V536 L537 S543 | A291-Q539 PolarHBondContact O-NE2 3.17Å; P294-Q539 HydrophobicContact CB-CB 4.2Å; P294-Q539 HydrophobicContact CG-CB 4.27Å; F318-Q539 VanDerWaalsContact CA-OE1 3.22Å; F318-Q539 HydrophobicContact CB-CB 4.34Å; F318-Q539 HydrophobicContact CD1-CB 3.9Å; F318-Q539 HydrophobicContact CG-CB 4.44Å; T319-Q539 PolarHBondContact O-NE2 3.41Å; T319-Q539 PolarHBondContact O-OE1 3.37Å; I535-Q539 VanDerWaalsContact CG2-NE2 3.34Å; I535-Q539 WeakPolarHBondContact O-CG 3.42Å; I535-Q539 PolarHBondContact O-N 3.21Å; I535-Q539 VanDerWaalsContact O-N 3.16Å; V536-Q539 PolarHBondContact O-N 3.26Å; L537-Q539 VanDerWaalsContact C-N 3.32Å; L537-Q539 PolarHBondContact O-N 3.33Å; Q539-S543 PolarHBondContact O-N 3.19Å; Q539-S543 PolarHBondContact O-OG 3.15Å |
| 540 | A | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -68.6 | -49 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F318 V536 L537 S538 T542 S543 I544 M596 L600 | F318-A540 HydrophobicContact CB-CB 4.43Å; F318-A540 HydrophobicContact CD2-CB 3.59Å; F318-A540 HydrophobicContact CE2-CB 3.91Å; F318-A540 HydrophobicContact CG-CB 3.94Å; V536-A540 WeakPolarHBondContact O-CB 3.5Å; V536-A540 PolarHBondContact O-N 2.99Å; L537-A540 PolarHBondContact O-N 3.47Å; S538-A540 PolarHBondContact O-N 3.46Å; A540-T542 PolarHBondContact O-N 3.15Å; A540-S543 PolarHBondContact O-N 2.79Å; A540-I544 WeakPolarHBondContact O-CG1 3.36Å; A540-I544 PolarHBondContact O-N 2.94Å; A540-M596 HydrophobicContact CB-CB 4.25Å; A540-M596 HydrophobicContact CB-CG 4.29Å; A540-L600 HydrophobicContact CB-CD1 3.94Å |
| 541 | L | 93.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 4.6 Ų | 4.6 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.4 | -80.5 | 175.2 | 0 | 0 | 0 | 111.8 | C224 L537 S543 I544 V545 L600 V622 I629 V631 | C224-L541 HydrophobicContact CB-CB 4.48Å; C224-L541 HydrophobicContact CB-CD1 4.33Å; L537-L541 HydrophobicContact CD1-CD1 3.74Å; L537-L541 HydrophobicContact CD1-CG 3.75Å; L537-L541 HydrophobicContact CD2-CD1 4.33Å; L537-L541 HydrophobicContact CG-CD1 3.77Å; L537-L541 HydrophobicContact CG-CG 4.2Å; L537-L541 WeakPolarHBondContact O-CB 3.4Å; L537-L541 PolarHBondContact O-N 3.1Å; L541-S543 PolarHBondContact O-N 2.97Å; L541-I544 PolarHBondContact O-N 3.38Å; L541-V545 WeakPolarHBondContact O-CB 3.25Å; L541-V545 VanDerWaalsContact O-CG2 3.26Å; L541-V545 WeakPolarHBondContact O-CG2 3.41Å; L541-V545 PolarHBondContact O-N 3.17Å; L541-L600 HydrophobicContact CD2-CD2 3.63Å; L541-L600 HydrophobicContact CG-CD2 4.14Å; L541-V622 HydrophobicContact CD1-CG1 4.37Å; L541-I629 HydrophobicContact CD1-CD1 4.48Å; L541-I629 HydrophobicContact CD1-CG2 4.12Å; L541-V631 HydrophobicContact CD2-CG2 4.3Å |
| 542 | T | 91.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -59 | -41 | 179.1 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | L221 L222 P294 L297 S538 A540 S546 | L221-T542 HydrophobicContact CD2-CG2 3.6Å; L222-T542 HydrophobicContact CB-CG2 4.49Å; P294-T542 HydrophobicContact CG-CG2 4.32Å; L297-T542 HydrophobicContact CD2-CG2 4.35Å; S538-T542 VanDerWaalsContact O-CB 3.27Å; S538-T542 WeakPolarHBondContact O-CB 3.32Å; S538-T542 PolarHBondContact O-N 3.22Å; S538-T542 PolarHBondContact O-OG1 2.77Å; A540-T542 PolarHBondContact O-N 3.15Å; T542-S546 WeakPolarHBondContact O-CB 3.44Å; T542-S546 PolarHBondContact O-N 3.42Å; T542-S546 PolarHBondContact O-OG 2.92Å |
| 543 | S | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.8 | -46.3 | 178.1 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | F318 Q539 A540 L541 S546 V547 | F318-S543 VanDerWaalsContact CE1-OG 3.23Å; F318-S543 WeakPolarHBondContact CE1-OG 3.36Å; Q539-S543 PolarHBondContact O-N 3.19Å; Q539-S543 PolarHBondContact O-OG 3.15Å; A540-S543 PolarHBondContact O-N 2.79Å; L541-S543 PolarHBondContact O-N 2.97Å; S543-S546 WeakPolarHBondContact O-CB 3.37Å; S543-S546 PolarHBondContact O-N 3.35Å; S543-V547 WeakPolarHBondContact O-CG2 3.49Å; S543-V547 PolarHBondContact O-N 3.18Å; S543-V547 VanDerWaalsContact O-N 3.15Å |
| 544 | I | 96.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 4.3 Ų | 4.3 | 2% | 0.015 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 178.4 | -64.4 | -56.4 | 0 | 0 | 0 | 111.7 | A540 L541 S546 V547 L548 V574 L600 F606 V655 V657 | A540-I544 WeakPolarHBondContact O-CG1 3.36Å; A540-I544 PolarHBondContact O-N 2.94Å; L541-I544 PolarHBondContact O-N 3.38Å; I544-S546 VanDerWaalsContact C-N 3.28Å; I544-S546 PolarHBondContact O-N 2.79Å; I544-V547 WeakPolarHBondContact O-CB 3.02Å; I544-V547 PolarHBondContact O-N 3.21Å; I544-V547 VanDerWaalsContact O-N 3.17Å; I544-L548 HydrophobicContact CG2-CD1 4.25Å; I544-L548 HydrophobicContact CG2-CG 4.49Å; I544-L548 WeakPolarHBondContact O-CG 3.35Å; I544-L548 PolarHBondContact O-N 3.5Å; I544-V574 HydrophobicContact CD1-CB 4.24Å; I544-V574 HydrophobicContact CD1-CG1 3.76Å; I544-V574 HydrophobicContact CD1-CG2 4.42Å; I544-L600 HydrophobicContact CG1-CD1 3.92Å; I544-F606 HydrophobicContact CG2-CZ 4.12Å; I544-V655 HydrophobicContact CG2-CG1 4.02Å; I544-V655 HydrophobicContact CG2-CG2 4.41Å; I544-V657 HydrophobicContact CD1-CG2 3.88Å; I544-V657 HydrophobicContact CG1-CG2 4.35Å |
| 545 | V | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 177.6 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | L222 L541 V547 L548 L549 F606 P620 V631 L633 | L222-V545 HydrophobicContact CD1-CB 3.5Å; L222-V545 HydrophobicContact CD1-CG1 3.23Å; L222-V545 HydrophobicContact CD1-CG2 4.23Å; L541-V545 WeakPolarHBondContact O-CB 3.25Å; L541-V545 VanDerWaalsContact O-CG2 3.26Å; L541-V545 WeakPolarHBondContact O-CG2 3.41Å; L541-V545 PolarHBondContact O-N 3.17Å; V545-V547 VanDerWaalsContact C-N 3.28Å; V545-V547 PolarHBondContact O-N 2.96Å; V545-L548 PolarHBondContact O-N 2.75Å; V545-L549 HydrophobicContact CG1-CD1 3.75Å; V545-L549 HydrophobicContact CG1-CG 3.95Å; V545-L549 WeakPolarHBondContact O-CB 3.42Å; V545-L549 WeakPolarHBondContact O-CG 3.23Å; V545-L549 PolarHBondContact O-N 3.43Å; V545-F606 HydrophobicContact CG2-CE1 4.08Å; V545-P620 HydrophobicContact CG1-CB 4.1Å; V545-P620 HydrophobicContact CG1-CG 3.88Å; V545-V631 HydrophobicContact CG2-CG1 3.88Å; V545-L633 HydrophobicContact CG1-CD2 3.52Å; V545-L633 HydrophobicContact CG2-CD2 4.33Å |
| 546 | S | 93.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 6.3 Ų | 6.3 | 4% | 0.042 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.5 | -39.8 | 174.5 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | P219 F313 T542 S543 I544 N550 | P219-S546 WeakPolarHBondContact CB-OG 3.24Å; F313-S546 WeakPolarHBondContact CZ-O 3.27Å; T542-S546 WeakPolarHBondContact O-CB 3.44Å; T542-S546 PolarHBondContact O-N 3.42Å; T542-S546 PolarHBondContact O-OG 2.92Å; S543-S546 WeakPolarHBondContact O-CB 3.37Å; S543-S546 PolarHBondContact O-N 3.35Å; I544-S546 VanDerWaalsContact C-N 3.28Å; I544-S546 PolarHBondContact O-N 2.79Å; S546-N550 WeakPolarHBondContact O-CB 3.38Å; S546-N550 PolarHBondContact O-N 2.9Å |
| 547 | V | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.9 | -52.2 | 174 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | F313 S543 I544 V545 L549 N550 V551 V574 D745 V747 | F313-V547 HydrophobicContact CB-CG2 4.11Å; F313-V547 HydrophobicContact CD1-CG2 4.03Å; F313-V547 HydrophobicContact CD2-CB 4.28Å; F313-V547 HydrophobicContact CD2-CG2 3.46Å; F313-V547 VanDerWaalsContact CD2-CG2 3.46Å; F313-V547 HydrophobicContact CE1-CG2 4.36Å; F313-V547 HydrophobicContact CE2-CB 4.19Å; F313-V547 HydrophobicContact CE2-CG1 4.49Å; F313-V547 HydrophobicContact CE2-CG2 3.85Å; F313-V547 HydrophobicContact CG-CG2 3.56Å; F313-V547 HydrophobicContact CZ-CG2 4.28Å; S543-V547 WeakPolarHBondContact O-CG2 3.49Å; S543-V547 PolarHBondContact O-N 3.18Å; S543-V547 VanDerWaalsContact O-N 3.15Å; I544-V547 WeakPolarHBondContact O-CB 3.02Å; I544-V547 PolarHBondContact O-N 3.21Å; I544-V547 VanDerWaalsContact O-N 3.17Å; V545-V547 VanDerWaalsContact C-N 3.28Å; V545-V547 PolarHBondContact O-N 2.96Å; V547-L549 PolarHBondContact O-N 2.78Å; V547-N550 WeakPolarHBondContact O-CB 3.48Å; V547-N550 PolarHBondContact O-N 2.85Å; V547-V551 PolarHBondContact O-N 2.92Å; V547-V551 VanDerWaalsContact O-N 3.09Å; V547-V574 HydrophobicContact CG1-CG2 4.22Å; V547-D745 HydrophobicContact CG1-CB 3.39Å; V547-V747 HydrophobicContact CG2-CG2 3.75Å |
| 548 | L | 97.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | -176.7 | -60.9 | 177 | 0 | 0 | 0 | 112 | I544 V545 N550 V551 L552 W567 A572 F606 L633 V655 | I544-L548 HydrophobicContact CG2-CD1 4.25Å; I544-L548 HydrophobicContact CG2-CG 4.49Å; I544-L548 WeakPolarHBondContact O-CG 3.35Å; I544-L548 PolarHBondContact O-N 3.5Å; V545-L548 PolarHBondContact O-N 2.75Å; L548-N550 VanDerWaalsContact C-N 3.33Å; L548-N550 PolarHBondContact O-N 3.2Å; L548-V551 PolarHBondContact O-N 2.89Å; L548-L552 VanDerWaalsContact O-CG 3.32Å; L548-L552 WeakPolarHBondContact O-CG 3.3Å; L548-L552 PolarHBondContact O-N 2.9Å; L548-W567 HydrophobicContact CB-CH2 4.11Å; L548-W567 HydrophobicContact CD2-CH2 3.74Å; L548-W567 HydrophobicContact CD2-CZ2 3.57Å; L548-W567 HydrophobicContact CD2-CZ3 4.44Å; L548-A572 HydrophobicContact CD2-CB 3.95Å; L548-F606 HydrophobicContact CD1-CD1 3.59Å; L548-F606 HydrophobicContact CD1-CE1 3.73Å; L548-F606 HydrophobicContact CD1-CG 4.11Å; L548-F606 HydrophobicContact CD1-CZ 4.35Å; L548-L633 HydrophobicContact CB-CD1 3.63Å; L548-L633 HydrophobicContact CD1-CD1 3.73Å; L548-L633 HydrophobicContact CG-CD1 4.35Å; L548-V655 HydrophobicContact CD1-CG2 3.86Å; L548-V655 HydrophobicContact CD2-CG2 4.48Å |
| 549 | L | 94.7 | Very high | 93.4 | Very high | 10 Ų | 10 | 19.4 Ų | 19.4 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 174.8 | -71.2 | 177.1 | 0 | 0 | 0 | 111.4 | L192 V545 V547 V551 L552 W553 P620 L633 P634 | L192-L549 HydrophobicContact CD1-CB 4.35Å; L192-L549 HydrophobicContact CD2-CB 4.09Å; L192-L549 HydrophobicContact CD2-CD1 4.23Å; V545-L549 HydrophobicContact CG1-CD1 3.75Å; V545-L549 HydrophobicContact CG1-CG 3.95Å; V545-L549 WeakPolarHBondContact O-CB 3.42Å; V545-L549 WeakPolarHBondContact O-CG 3.23Å; V545-L549 PolarHBondContact O-N 3.43Å; V547-L549 PolarHBondContact O-N 2.78Å; L549-V551 VanDerWaalsContact C-N 3.31Å; L549-V551 PolarHBondContact O-N 3.46Å; L549-L552 PolarHBondContact O-N 3.36Å; L549-W553 WeakPolarHBondContact O-CB 3.45Å; L549-W553 PolarHBondContact O-N 3.33Å; L549-P620 HydrophobicContact CD1-CG 4.43Å; L549-L633 HydrophobicContact CD2-CB 4.35Å; L549-L633 HydrophobicContact CD2-CD2 4.36Å; L549-P634 HydrophobicContact CD2-CG 4.45Å |
| 550 | N | 94.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 174.5 | -179.6 | 73.3 | 0 | 0 | 0 | 112.2 | F193 D311 F313 S546 V547 L548 M554 A555 | F193-N550 HydrophobicContact CZ-CB 4.03Å; F193-N550 WeakPolarHBondContact CZ-OD1 3.33Å; D311-N550 PolarHBondContact OD2-ND2 3.48Å; F313-N550 HydrophobicContact CE2-CB 4.08Å; F313-N550 HydrophobicContact CZ-CB 3.6Å; S546-N550 WeakPolarHBondContact O-CB 3.38Å; S546-N550 PolarHBondContact O-N 2.9Å; V547-N550 WeakPolarHBondContact O-CB 3.48Å; V547-N550 PolarHBondContact O-N 2.85Å; L548-N550 VanDerWaalsContact C-N 3.33Å; L548-N550 PolarHBondContact O-N 3.2Å; N550-M554 WeakPolarHBondContact O-CA 3.35Å; N550-M554 WeakPolarHBondContact O-CB 3.22Å; N550-M554 PolarHBondContact O-N 3.37Å; N550-M554 WeakPolarHBondContact OD1-CB 3.37Å; N550-A555 PolarHBondContact O-N 3.3Å |
| 551 | V | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.1 | -49.3 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | V547 L548 L549 W553 A555 K563 W567 D745 | V547-V551 PolarHBondContact O-N 2.92Å; V547-V551 VanDerWaalsContact O-N 3.09Å; L548-V551 PolarHBondContact O-N 2.89Å; L549-V551 VanDerWaalsContact C-N 3.31Å; L549-V551 PolarHBondContact O-N 3.46Å; V551-W553 VanDerWaalsContact C-N 3.26Å; V551-W553 PolarHBondContact O-N 3.5Å; V551-A555 HydrophobicContact CG1-CB 4.46Å; V551-A555 VanDerWaalsContact O-CB 3.23Å; V551-A555 WeakPolarHBondContact O-CB 3.19Å; V551-A555 PolarHBondContact O-N 2.77Å; V551-K563 HydrophobicContact CB-CD 4.34Å; V551-K563 HydrophobicContact CG1-CB 3.88Å; V551-K563 HydrophobicContact CG1-CD 3.56Å; V551-K563 HydrophobicContact CG1-CG 4.35Å; V551-K563 HydrophobicContact CG2-CD 3.8Å; V551-W567 HydrophobicContact CB-CH2 3.85Å; V551-W567 HydrophobicContact CB-CZ2 3.82Å; V551-W567 HydrophobicContact CG1-CH2 3.77Å; V551-W567 HydrophobicContact CG1-CZ2 3.61Å; V551-W567 HydrophobicContact CG2-CZ2 4.13Å; V551-D745 WeakPolarHBondContact CG2-OD2 3.26Å |
| 552 | L | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.6 | -29.7 | -175.3 | -71.6 | 169.4 | 0 | 0 | 0 | 113.5 | L548 L549 F560 T564 W567 L608 L633 V635 R639 | L548-L552 VanDerWaalsContact O-CG 3.32Å; L548-L552 WeakPolarHBondContact O-CG 3.3Å; L548-L552 PolarHBondContact O-N 2.9Å; L549-L552 PolarHBondContact O-N 3.36Å; L552-F560 HydrophobicContact CD2-CE2 3.99Å; L552-T564 HydrophobicContact CD2-CG2 4.37Å; L552-W567 HydrophobicContact CD1-CZ3 4.27Å; L552-W567 HydrophobicContact CD2-CH2 4.25Å; L552-W567 HydrophobicContact CD2-CZ3 3.74Å; L552-W567 HydrophobicContact CG-CH2 4.03Å; L552-W567 HydrophobicContact CG-CZ3 3.89Å; L552-L608 HydrophobicContact CD1-CD2 3.77Å; L552-L608 HydrophobicContact CD2-CD1 3.98Å; L552-L608 HydrophobicContact CD2-CD2 4.26Å; L552-L633 HydrophobicContact CD1-CB 4.01Å; L552-L633 HydrophobicContact CD1-CD1 4.15Å; L552-V635 HydrophobicContact CD1-CG2 4.17Å; L552-V635 HydrophobicContact CD2-CG1 4.44Å; L552-V635 HydrophobicContact CD2-CG2 3.94Å; L552-R639 WeakPolarHBondContact O-CD 3.46Å |
| 553 | W | 92 | Very high | 93.7 | Very high | 10 Ų | 10 | 24.8 Ų | 24.8 | 4% | 0.038 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -113.3 | -25.6 | -170.7 | -70 | 71.4 | 0 | 0 | 0 | 114.7 | H188 L191 L192 L549 V551 M611 C618 P634 P636 | H188-W553 HydrophobicContact CB-CE3 4.04Å; H188-W553 AromaticContact CD2-CE3 3.74Å; H188-W553 AromaticContact CD2-CZ3 3.85Å; H188-W553 AromaticContact CG-CE3 3.72Å; H188-W553 PolarHBondContact ND1-O 3.36Å; H188-W553 VanDerWaalsContact ND1-O 3.08Å; L191-W553 HydrophobicContact CD2-CE3 4.09Å; L191-W553 HydrophobicContact CD2-CH2 3.41Å; L191-W553 VanDerWaalsContact CD2-CH2 3.41Å; L191-W553 HydrophobicContact CD2-CZ2 4.23Å; L191-W553 HydrophobicContact CD2-CZ3 3.33Å; L192-W553 HydrophobicContact CD1-CB 3.44Å; L192-W553 VanDerWaalsContact CD1-CB 3.44Å; L192-W553 HydrophobicContact CD1-CD2 4.37Å; L192-W553 HydrophobicContact CD1-CG 3.7Å; L192-W553 HydrophobicContact CD2-CD2 4.47Å; L192-W553 HydrophobicContact CD2-CG 4.39Å; L192-W553 HydrophobicContact CG-CB 4.38Å; L192-W553 HydrophobicContact CG-CD2 4.48Å; L192-W553 HydrophobicContact CG-CG 4.28Å; L549-W553 WeakPolarHBondContact O-CB 3.45Å; L549-W553 PolarHBondContact O-N 3.33Å; V551-W553 VanDerWaalsContact C-N 3.26Å; V551-W553 PolarHBondContact O-N 3.5Å; W553-M611 HydrophobicContact CH2-CE 4Å; W553-M611 HydrophobicContact CH2-SD 3.41Å; W553-M611 WeakPolarHBondContact CH2-SD 3.35Å; W553-M611 HydrophobicContact CZ2-SD 3.54Å; W553-M611 VanDerWaalsContact CZ2-SD 3.54Å; W553-C618 HydrophobicContact CH2-CB 4.37Å; W553-C618 HydrophobicContact CZ2-CB 3.99Å; W553-P634 PolarHBondContact NE1-O 3.24Å; W553-P636 HydrophobicContact CD2-CG 3.51Å; W553-P636 HydrophobicContact CE3-CG 3.56Å; W553-P636 HydrophobicContact CG-CG 4Å; W553-P636 HydrophobicContact CH2-CG 3.99Å; W553-P636 HydrophobicContact CZ2-CG 3.99Å; W553-P636 HydrophobicContact CZ3-CB 4.46Å; W553-P636 HydrophobicContact CZ3-CG 3.78Å |
| 554 | M | 90.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -126.3 | -10.2 | -168.2 | -55.2 | -61.2 | -54.9 | 0 | 0 | 114.9 | M181 E185 H188 L192 F193 K309 N550 | M181-M554 HydrophobicContact SD-CE 4.46Å; E185-M554 HydrophobicContact CB-CE 4.27Å; H188-M554 HydrophobicContact CB-SD 3.58Å; H188-M554 VanDerWaalsContact CB-SD 3.58Å; L192-M554 HydrophobicContact CD1-CG 4.21Å; F193-M554 HydrophobicContact CE2-CG 3.93Å; K309-M554 PolarHBondContact NZ-O 3.28Å; N550-M554 WeakPolarHBondContact O-CA 3.35Å; N550-M554 WeakPolarHBondContact O-CB 3.22Å; N550-M554 PolarHBondContact O-N 3.37Å; N550-M554 WeakPolarHBondContact OD1-CB 3.37Å |
| 555 | A | 91.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 7% | 0.066 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -67.9 | 148.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | N550 V551 Q559 F560 R639 | N550-A555 PolarHBondContact O-N 3.3Å; V551-A555 HydrophobicContact CG1-CB 4.46Å; V551-A555 VanDerWaalsContact O-CB 3.23Å; V551-A555 WeakPolarHBondContact O-CB 3.19Å; V551-A555 PolarHBondContact O-N 2.77Å; A555-Q559 HydrophobicContact CB-CB 4.15Å; A555-F560 HydrophobicContact CB-CB 4.27Å; A555-R639 PolarHBondContact O-NH1 2.94Å; A555-R639 PolarHBondContact O-NH2 3.45Å |
| 556 | D | 89.4 | Confident | 93.7 | Very high | 59 Ų | 59 | 26 Ų | 26 | 32% | 0.316 | 13% | 0.134 | S | C | . | . | trans | -64 | 166.2 | 165.7 | 57.2 | 75.4 | 0 | 0 | 0 | 111.1 | E558 Q559 F560 | D556-E558 VanDerWaalsContact C-N 3.3Å; D556-E558 PolarHBondContact O-N 3.04Å; D556-E558 PolarHBondContact OD1-N 3.32Å; D556-Q559 PolarHBondContact O-N 3.49Å; D556-Q559 WeakPolarHBondContact OD1-CB 3.25Å; D556-Q559 WeakPolarHBondContact OD1-CG 3.35Å; D556-Q559 PolarHBondContact OD1-N 3.27Å; D556-Q559 WeakPolarHBondContact OD2-CG 3.24Å; D556-F560 WeakPolarHBondContact O-CB 3.48Å; D556-F560 PolarHBondContact O-N 2.8Å | ||
| 557 | D | 90.2 | Very high | 93.9 | Very high | 101 Ų | 101 | 25.9 Ų | 25.9 | 54% | 0.54 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63 | -35.7 | -172.9 | -64.8 | -15.9 | 0 | 0 | 0 | 112.7 | L561 R639 | D557-L561 WeakPolarHBondContact O-CB 3.16Å; D557-L561 WeakPolarHBondContact O-CG 3.4Å; D557-L561 PolarHBondContact O-N 2.81Å; D557-R639 IonicContact OD1-NH2 3.45Å; D557-R639 PolarHBondContact OD1-NH2 3.24Å |
| 558 | E | 89.9 | Confident | 93.8 | Very high | 134 Ų | 134 | 27.3 Ų | 27.3 | 63% | 0.626 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -65.6 | -51.2 | 178.2 | -175.6 | -177.2 | 168.8 | 0 | 0 | 110.6 | D556 F560 L561 L562 | D556-E558 VanDerWaalsContact C-N 3.3Å; D556-E558 PolarHBondContact O-N 3.04Å; D556-E558 PolarHBondContact OD1-N 3.32Å; E558-F560 VanDerWaalsContact C-N 3.34Å; E558-F560 PolarHBondContact O-N 2.68Å; E558-L561 PolarHBondContact O-N 3.47Å; E558-L562 WeakPolarHBondContact O-CB 3.3Å; E558-L562 PolarHBondContact O-N 3Å |
| 559 | Q | 91.9 | Very high | 93.6 | Very high | 63 Ų | 63 | 32.4 Ų | 32.4 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 177.1 | -70.5 | -61 | -51 | 0 | 0 | 112 | A555 D556 K563 | A555-Q559 HydrophobicContact CB-CB 4.15Å; D556-Q559 PolarHBondContact O-N 3.49Å; D556-Q559 WeakPolarHBondContact OD1-CB 3.25Å; D556-Q559 WeakPolarHBondContact OD1-CG 3.35Å; D556-Q559 PolarHBondContact OD1-N 3.27Å; D556-Q559 WeakPolarHBondContact OD2-CG 3.24Å; Q559-K563 WeakPolarHBondContact O-CB 3.25Å; Q559-K563 WeakPolarHBondContact O-CD 3.45Å; Q559-K563 WeakPolarHBondContact O-CG 3.35Å; Q559-K563 PolarHBondContact O-N 3.19Å |
| 560 | F | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -49.3 | 176.9 | 175.1 | -90.7 | 0 | 0 | 0 | 111.5 | L552 A555 D556 E558 T564 R639 I642 L643 | L552-F560 HydrophobicContact CD2-CE2 3.99Å; A555-F560 HydrophobicContact CB-CB 4.27Å; D556-F560 WeakPolarHBondContact O-CB 3.48Å; D556-F560 PolarHBondContact O-N 2.8Å; E558-F560 VanDerWaalsContact C-N 3.34Å; E558-F560 PolarHBondContact O-N 2.68Å; F560-T564 HydrophobicContact CD2-CG2 4.24Å; F560-T564 HydrophobicContact CE1-CG2 4.31Å; F560-T564 HydrophobicContact CE2-CG2 4Å; F560-T564 HydrophobicContact CZ-CG2 4.03Å; F560-T564 WeakPolarHBondContact O-CB 3.34Å; F560-T564 VanDerWaalsContact O-CG2 3.3Å; F560-T564 WeakPolarHBondContact O-CG2 3.32Å; F560-T564 PolarHBondContact O-N 3.42Å; F560-T564 PolarHBondContact O-OG1 3.5Å; F560-R639 VanDerWaalsContact CD2-NH1 3.34Å; F560-R639 HydrophobicContact CE1-CB 4.35Å; F560-R639 HydrophobicContact CE2-CB 4.17Å; F560-R639 HydrophobicContact CZ-CB 3.8Å; F560-R639 HydrophobicContact CZ-CG 4.47Å; F560-I642 HydrophobicContact CD1-CD1 3.71Å; F560-I642 HydrophobicContact CD1-CG1 4.34Å; F560-I642 HydrophobicContact CE1-CD1 3.63Å; F560-I642 HydrophobicContact CE1-CG1 3.77Å; F560-L643 HydrophobicContact CE1-CD2 3.95Å; F560-L643 HydrophobicContact CE1-CG 4.45Å; F560-L643 HydrophobicContact CE2-CD2 4.37Å; F560-L643 HydrophobicContact CZ-CD2 3.47Å; F560-L643 VanDerWaalsContact CZ-CD2 3.47Å; F560-L643 HydrophobicContact CZ-CG 4.04Å |
| 561 | L | 94.1 | Very high | 93.6 | Very high | 81 Ų | 81 | 32.6 Ų | 32.6 | 42% | 0.424 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.4 | -46.3 | 179.8 | -72.2 | 171.8 | 0 | 0 | 0 | 111.6 | D557 E558 K563 T564 S565 I642 | D557-L561 WeakPolarHBondContact O-CB 3.16Å; D557-L561 WeakPolarHBondContact O-CG 3.4Å; D557-L561 PolarHBondContact O-N 2.81Å; E558-L561 PolarHBondContact O-N 3.47Å; L561-K563 PolarHBondContact O-N 3.2Å; L561-T564 PolarHBondContact O-OG1 3Å; L561-S565 WeakPolarHBondContact O-CB 3.18Å; L561-S565 PolarHBondContact O-N 3.42Å; L561-I642 HydrophobicContact CD2-CB 4.24Å; L561-I642 HydrophobicContact CD2-CD1 4.32Å; L561-I642 VanDerWaalsContact CD2-O 3.32Å; L561-I642 WeakPolarHBondContact CD2-O 3.43Å |
| 562 | L | 93.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.8 | -51.9 | 176.7 | 175.3 | 62.8 | 0 | 0 | 0 | 111.3 | E558 S565 L566 E702 F705 | E558-L562 WeakPolarHBondContact O-CB 3.3Å; E558-L562 PolarHBondContact O-N 3Å; L562-S565 PolarHBondContact O-N 3.41Å; L562-L566 HydrophobicContact CD1-CD1 4.09Å; L562-L566 HydrophobicContact CG-CD1 4.16Å; L562-L566 WeakPolarHBondContact O-CD1 3.23Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 3.15Å; L562-L566 VanDerWaalsContact O-N 3.1Å; L562-E702 HydrophobicContact CD1-CG 3.64Å; L562-F705 HydrophobicContact CD1-CE1 4.04Å |
| 563 | K | 95.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 6% | 0.057 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | -177 | -72.2 | 174 | 175.7 | -82.1 | 0 | 111.4 | V551 Q559 L561 S565 L566 W567 G743 G744 D745 | V551-K563 HydrophobicContact CB-CD 4.34Å; V551-K563 HydrophobicContact CG1-CB 3.88Å; V551-K563 HydrophobicContact CG1-CD 3.56Å; V551-K563 HydrophobicContact CG1-CG 4.35Å; V551-K563 HydrophobicContact CG2-CD 3.8Å; Q559-K563 WeakPolarHBondContact O-CB 3.25Å; Q559-K563 WeakPolarHBondContact O-CD 3.45Å; Q559-K563 WeakPolarHBondContact O-CG 3.35Å; Q559-K563 PolarHBondContact O-N 3.19Å; L561-K563 PolarHBondContact O-N 3.2Å; K563-S565 PolarHBondContact O-N 3.38Å; K563-L566 WeakPolarHBondContact O-CB 3.41Å; K563-L566 PolarHBondContact O-N 3.05Å; K563-W567 PolarHBondContact O-N 3.27Å; K563-W567 PolarHBondContact O-NE1 3.38Å; K563-G743 WeakPolarHBondContact CG-O 3.18Å; K563-G743 PolarHBondContact NZ-O 3.26Å; K563-G744 PolarHBondContact NZ-O 3.16Å; K563-D745 IonicContact NZ-OD1 3.81Å; K563-D745 PolarHBondContact NZ-OD1 2.97Å; K563-D745 IonicContact NZ-OD2 3.39Å; K563-D745 PolarHBondContact NZ-OD2 2.76Å |
| 564 | T | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.3 | -33.2 | -178.3 | 57 | 0 | 0 | 0 | 0 | 112.7 | L552 F560 L561 W567 S568 L643 L647 | L552-T564 HydrophobicContact CD2-CG2 4.37Å; F560-T564 HydrophobicContact CD2-CG2 4.24Å; F560-T564 HydrophobicContact CE1-CG2 4.31Å; F560-T564 HydrophobicContact CE2-CG2 4Å; F560-T564 HydrophobicContact CZ-CG2 4.03Å; F560-T564 WeakPolarHBondContact O-CB 3.34Å; F560-T564 VanDerWaalsContact O-CG2 3.3Å; F560-T564 WeakPolarHBondContact O-CG2 3.32Å; F560-T564 PolarHBondContact O-N 3.42Å; F560-T564 PolarHBondContact O-OG1 3.5Å; L561-T564 PolarHBondContact O-OG1 3Å; T564-W567 HydrophobicContact CG2-CE3 4.28Å; T564-W567 HydrophobicContact CG2-CZ3 4.46Å; T564-W567 PolarHBondContact O-N 3.13Å; T564-S568 PolarHBondContact O-N 3.08Å; T564-S568 VanDerWaalsContact O-N 3.11Å; T564-L643 HydrophobicContact CG2-CD2 3.65Å; T564-L647 WeakPolarHBondContact O-CD1 3.38Å |
| 565 | S | 94.7 | Very high | 94.5 | Very high | 26 Ų | 26 | 32 Ų | 32 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.1 | -49.1 | 167.7 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | L561 L562 K563 W567 S568 H569 E702 | L561-S565 WeakPolarHBondContact O-CB 3.18Å; L561-S565 PolarHBondContact O-N 3.42Å; L562-S565 PolarHBondContact O-N 3.41Å; K563-S565 PolarHBondContact O-N 3.38Å; S565-W567 PolarHBondContact O-N 3.25Å; S565-S568 WeakPolarHBondContact O-CB 3.33Å; S565-S568 PolarHBondContact O-N 2.99Å; S565-H569 PolarHBondContact O-N 3.44Å; S565-H569 PolarHBondContact O-ND1 2.98Å; S565-E702 PolarHBondContact OG-OE2 3.42Å |
| 566 | L | 95.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 177.5 | -68.2 | 163.9 | 0 | 0 | 0 | 112 | L562 K563 S568 H569 S570 G571 A698 E702 F705 L742 | L562-L566 HydrophobicContact CD1-CD1 4.09Å; L562-L566 HydrophobicContact CG-CD1 4.16Å; L562-L566 WeakPolarHBondContact O-CD1 3.23Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 3.15Å; L562-L566 VanDerWaalsContact O-N 3.1Å; K563-L566 WeakPolarHBondContact O-CB 3.41Å; K563-L566 PolarHBondContact O-N 3.05Å; L566-S568 VanDerWaalsContact C-N 3.29Å; L566-S568 PolarHBondContact O-N 2.87Å; L566-H569 PolarHBondContact O-N 2.83Å; L566-S570 CarbonylContact O-C 3.55Å; L566-S570 WeakPolarHBondContact O-CA 3.2Å; L566-S570 PolarHBondContact O-N 3.45Å; L566-G571 PolarHBondContact O-N 3Å; L566-A698 HydrophobicContact CD2-CB 3.88Å; L566-E702 HydrophobicContact CD2-CB 4.4Å; L566-F705 HydrophobicContact CD1-CZ 3.94Å; L566-F705 HydrophobicContact CD2-CE2 4.14Å; L566-F705 HydrophobicContact CD2-CZ 3.91Å; L566-F705 HydrophobicContact CG-CZ 4.5Å; L566-L742 WeakPolarHBondContact CD1-O 3.49Å |
| 567 | W | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 178.4 | -64.3 | 4.9 | 0 | 0 | 0 | 111.9 | L548 V551 L552 K563 T564 S565 G571 A572 L647 F653 | L548-W567 HydrophobicContact CB-CH2 4.11Å; L548-W567 HydrophobicContact CD2-CH2 3.74Å; L548-W567 HydrophobicContact CD2-CZ2 3.57Å; L548-W567 HydrophobicContact CD2-CZ3 4.44Å; V551-W567 HydrophobicContact CB-CH2 3.85Å; V551-W567 HydrophobicContact CB-CZ2 3.82Å; V551-W567 HydrophobicContact CG1-CH2 3.77Å; V551-W567 HydrophobicContact CG1-CZ2 3.61Å; V551-W567 HydrophobicContact CG2-CZ2 4.13Å; L552-W567 HydrophobicContact CD1-CZ3 4.27Å; L552-W567 HydrophobicContact CD2-CH2 4.25Å; L552-W567 HydrophobicContact CD2-CZ3 3.74Å; L552-W567 HydrophobicContact CG-CH2 4.03Å; L552-W567 HydrophobicContact CG-CZ3 3.89Å; K563-W567 PolarHBondContact O-N 3.27Å; K563-W567 PolarHBondContact O-NE1 3.38Å; T564-W567 HydrophobicContact CG2-CE3 4.28Å; T564-W567 HydrophobicContact CG2-CZ3 4.46Å; T564-W567 PolarHBondContact O-N 3.13Å; S565-W567 PolarHBondContact O-N 3.25Å; W567-G571 WeakPolarHBondContact O-CA 3.2Å; W567-G571 PolarHBondContact O-N 3.47Å; W567-A572 VanDerWaalsContact CD1-CA 3.4Å; W567-A572 HydrophobicContact CD2-CB 4.11Å; W567-A572 HydrophobicContact CG-CB 3.87Å; W567-A572 VanDerWaalsContact NE1-CB 3.35Å; W567-L647 HydrophobicContact CB-CD1 4.42Å; W567-F653 HydrophobicContact CB-CD2 4.07Å; W567-F653 HydrophobicContact CB-CE2 4.31Å; W567-F653 HydrophobicContact CB-CG 4.36Å; W567-F653 HydrophobicContact CD2-CE2 4.06Å; W567-F653 HydrophobicContact CD2-CZ 4.32Å; W567-F653 HydrophobicContact CE3-CE1 4.32Å; W567-F653 AromaticContact CE3-CE2 3.86Å; W567-F653 HydrophobicContact CE3-CE2 3.86Å; W567-F653 AromaticContact CE3-CZ 3.64Å; W567-F653 HydrophobicContact CE3-CZ 3.64Å; W567-F653 HydrophobicContact CG-CD2 4.42Å; W567-F653 HydrophobicContact CG-CE2 4.27Å; W567-F653 HydrophobicContact CZ3-CZ 4.08Å; W567-F653 VanDerWaalsContact O-CB 3.29Å; W567-F653 WeakPolarHBondContact O-CB 3.48Å |
| 568 | S | 95 | Very high | 95.7 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | T564 S565 L566 S646 | T564-S568 PolarHBondContact O-N 3.08Å; T564-S568 VanDerWaalsContact O-N 3.11Å; S565-S568 WeakPolarHBondContact O-CB 3.33Å; S565-S568 PolarHBondContact O-N 2.99Å; L566-S568 VanDerWaalsContact C-N 3.29Å; L566-S568 PolarHBondContact O-N 2.87Å; S568-S646 WeakPolarHBondContact CB-OG 3.26Å; S568-S646 PolarHBondContact OG-OG 3.18Å |
| 569 | H | 92.4 | Very high | 96 | Very high | 108 Ų | 108 | 18 Ų | 18 | 50% | 0.5 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -102 | -33.5 | -167.7 | -57.5 | 102.1 | 0 | 0 | 0 | 114.5 | S565 L566 Q701 | S565-H569 PolarHBondContact O-N 3.44Å; S565-H569 PolarHBondContact O-ND1 2.98Å; L566-H569 PolarHBondContact O-N 2.83Å; H569-Q701 HydrophobicContact CB-CG 4.29Å |
| 570 | S | 94.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 15 Ų | 15 | 8% | 0.077 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -122.5 | -7.4 | -173.1 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | L566 H656 Y694 S697 | L566-S570 CarbonylContact O-C 3.55Å; L566-S570 WeakPolarHBondContact O-CA 3.2Å; L566-S570 PolarHBondContact O-N 3.45Å; S570-H656 PolarHBondContact O-CD2 3.3Å; S570-H656 VanDerWaalsContact O-CD2 3.23Å; S570-H656 PolarHBondContact O-NE2 3.34Å; S570-Y694 WeakPolarHBondContact O-CE2 3.36Å; S570-S697 PolarHBondContact OG-OG 3.16Å |
| 571 | G | 96.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 15 Ų | 15 | 6% | 0.062 | 8% | 0.082 | C | C | . | . | trans | 80.6 | 167 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L566 W567 Q654 Y694 | L566-G571 PolarHBondContact O-N 3Å; W567-G571 WeakPolarHBondContact O-CA 3.2Å; W567-G571 PolarHBondContact O-N 3.47Å; G571-Q654 CarbonylContact C-O 3.55Å; G571-Q654 WeakPolarHBondContact CA-O 3.15Å; G571-Y694 WeakPolarHBondContact O-CE2 3.34Å; G571-Y694 PolarHBondContact O-OH 3.5Å | ||
| 572 | A | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L548 W567 F653 Q654 V655 H656 | L548-A572 HydrophobicContact CD2-CB 3.95Å; W567-A572 VanDerWaalsContact CD1-CA 3.4Å; W567-A572 HydrophobicContact CD2-CB 4.11Å; W567-A572 HydrophobicContact CG-CB 3.87Å; W567-A572 VanDerWaalsContact NE1-CB 3.35Å; A572-F653 HydrophobicContact CB-CD2 4.41Å; A572-F653 HydrophobicContact CB-CE2 4.16Å; A572-Q654 PolarHBondContact N-O 3.49Å; A572-V655 HydrophobicContact CB-CG1 4.48Å; A572-V655 HydrophobicContact CB-CG2 4.09Å; A572-V655 CarbonylContact O-C 3.51Å; A572-V655 WeakPolarHBondContact O-CA 3.43Å; A572-H656 PolarHBondContact O-N 2.86Å |
| 573 | L | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.5 | 175.2 | 178.8 | 64.1 | 0 | 0 | 0 | 111.2 | H656 I658 L691 Y694 C739 L742 G744 D745 | L573-H656 HydrophobicContact CD1-CB 4.35Å; L573-I658 HydrophobicContact CD1-CD1 3.61Å; L573-I658 HydrophobicContact CD1-CG1 3.99Å; L573-L691 HydrophobicContact CD1-CD1 4.44Å; L573-L691 HydrophobicContact CD2-CD1 4Å; L573-Y694 HydrophobicContact CB-CD1 4.3Å; L573-Y694 HydrophobicContact CB-CD2 4.49Å; L573-Y694 HydrophobicContact CB-CE1 3.76Å; L573-Y694 HydrophobicContact CB-CE2 3.96Å; L573-Y694 HydrophobicContact CD1-CD1 4.33Å; L573-Y694 HydrophobicContact CD1-CD2 4.45Å; L573-Y694 HydrophobicContact CD1-CG 4.24Å; L573-Y694 HydrophobicContact CD2-CD1 3.79Å; L573-Y694 HydrophobicContact CD2-CE1 3.75Å; L573-Y694 HydrophobicContact CG-CD1 4.37Å; L573-Y694 HydrophobicContact CG-CE1 4.24Å; L573-C739 HydrophobicContact CD2-CB 4.47Å; L573-L742 HydrophobicContact CD2-CB 4.01Å; L573-L742 HydrophobicContact CD2-CD1 4.45Å; L573-G744 WeakPolarHBondContact O-CA 3.33Å; L573-D745 PolarHBondContact O-N 3.17Å |
| 574 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.4 | 170.3 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | I544 V547 V655 H656 V657 I658 D745 V747 | I544-V574 HydrophobicContact CD1-CB 4.24Å; I544-V574 HydrophobicContact CD1-CG1 3.76Å; I544-V574 HydrophobicContact CD1-CG2 4.42Å; V547-V574 HydrophobicContact CG1-CG2 4.22Å; V574-V655 HydrophobicContact CB-CG1 4.36Å; V574-V655 HydrophobicContact CG2-CG1 3.83Å; V574-H656 PolarHBondContact N-O 3.21Å; V574-V657 WeakPolarHBondContact O-CA 3.5Å; V574-I658 PolarHBondContact O-N 3.21Å; V574-D745 CarbonylContact C-O 3.58Å; V574-D745 WeakPolarHBondContact CA-O 3.5Å; V574-V747 HydrophobicContact CG1-CG2 3.69Å |
| 575 | S | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 115 | 176.8 | -165.6 | 0 | 0 | 0 | 0 | 110.2 | H577 W660 C739 D745 V746 V747 | S575-H577 WeakPolarHBondContact CB-NE2 3.34Å; S575-H577 PolarHBondContact O-CD2 2.84Å; S575-H577 PolarHBondContact OG-CE1 3.26Å; S575-H577 PolarHBondContact OG-NE2 2.9Å; S575-W660 VanDerWaalsContact OG-CD1 3.23Å; S575-W660 PolarHBondContact OG-NE1 2.79Å; S575-C739 WeakPolarHBondContact CB-SG 3.34Å; S575-D745 PolarHBondContact N-O 3.49Å; S575-V746 WeakPolarHBondContact O-CA 3.45Å; S575-V747 PolarHBondContact O-N 3.36Å |
| 576 | L | 98.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 112.9 | -179.5 | 176.4 | 60.9 | 0 | 0 | 0 | 109.6 | F318 L593 V657 I658 L659 W660 V747 C749 | F318-L576 HydrophobicContact CD2-CD2 4.46Å; F318-L576 HydrophobicContact CE2-CD1 4.29Å; F318-L576 HydrophobicContact CE2-CD2 3.98Å; L576-L593 HydrophobicContact CD2-CD2 4.32Å; L576-V657 HydrophobicContact CB-CG1 4.14Å; L576-V657 HydrophobicContact CD2-CG1 4.37Å; L576-I658 PolarHBondContact N-O 3.35Å; L576-L659 HydrophobicContact CB-CD1 4.41Å; L576-L659 HydrophobicContact CD2-CD1 3.89Å; L576-L659 HydrophobicContact CG-CD1 3.86Å; L576-L659 CarbonylContact O-C 3.29Å; L576-L659 WeakPolarHBondContact O-CA 3.5Å; L576-W660 PolarHBondContact O-N 2.72Å; L576-V747 CarbonylContact C-O 3.17Å; L576-V747 WeakPolarHBondContact CA-O 3.29Å; L576-V747 HydrophobicContact CD1-CB 3.79Å; L576-V747 HydrophobicContact CD1-CG1 3.58Å; L576-C749 HydrophobicContact CD1-CB 4.46Å |
| 577 | H | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 110.4 | -177.5 | -64.1 | -88.7 | 0 | 0 | 0 | 111.1 | S575 W660 T732 M736 V747 I748 C749 | S575-H577 WeakPolarHBondContact CB-NE2 3.34Å; S575-H577 PolarHBondContact O-CD2 2.84Å; S575-H577 PolarHBondContact OG-CE1 3.26Å; S575-H577 PolarHBondContact OG-NE2 2.9Å; H577-W660 AromaticContact CE1-CD1 3.53Å; H577-W660 AromaticContact CE1-CG 3.83Å; H577-W660 AromaticContact ND1-CD1 3.95Å; H577-W660 AromaticContact ND1-CG 3.91Å; H577-T732 HydrophobicContact CB-CG2 4.08Å; H577-M736 WeakPolarHBondContact NE2-CG 3.37Å; H577-V747 PolarHBondContact N-O 3.45Å; H577-I748 CarbonylContact O-C 3.5Å; H577-I748 WeakPolarHBondContact O-CA 3.41Å; H577-C749 PolarHBondContact O-N 2.79Å |
| 578 | S | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.5 | 177.1 | 165.2 | 0 | 0 | 0 | 0 | 112.1 | L580 W660 N661 V662 C749 | S578-L580 WeakPolarHBondContact OG-CB 3.41Å; S578-L580 WeakPolarHBondContact OG-CG 3.21Å; S578-L580 PolarHBondContact OG-N 2.83Å; S578-L580 VanDerWaalsContact OG-N 3.15Å; S578-W660 PolarHBondContact N-O 3.49Å; S578-N661 VanDerWaalsContact CB-OD1 3.27Å; S578-N661 WeakPolarHBondContact CB-OD1 3.42Å; S578-N661 WeakPolarHBondContact O-CA 3.28Å; S578-N661 PolarHBondContact O-OD1 3.09Å; S578-N661 VanDerWaalsContact O-OD1 3.14Å; S578-N661 PolarHBondContact OG-OD1 3.12Å; S578-V662 PolarHBondContact O-N 3.11Å; S578-C749 CarbonylContact C-O 3.47Å; S578-C749 WeakPolarHBondContact CA-O 3.44Å |
| 579 | F | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -108.1 | 21.8 | 170.4 | -62.4 | -67.6 | 0 | 0 | 0 | 114.3 | V662 V664 T732 I748 C749 C750 R756 A760 Y820 | F579-V662 VanDerWaalsContact CA-O 3.29Å; F579-V662 WeakPolarHBondContact CA-O 3.33Å; F579-V662 WeakPolarHBondContact CD1-O 3.46Å; F579-V664 HydrophobicContact CB-CB 4.48Å; F579-V664 HydrophobicContact CD1-CB 4.34Å; F579-V664 HydrophobicContact CD1-CG2 3.69Å; F579-V664 HydrophobicContact CE1-CG2 4.32Å; F579-V664 PolarHBondContact O-N 2.99Å; F579-T732 HydrophobicContact CE1-CG2 4.12Å; F579-T732 HydrophobicContact CZ-CG2 3.82Å; F579-I748 HydrophobicContact CD2-CG2 3.96Å; F579-I748 HydrophobicContact CE2-CG2 3.37Å; F579-I748 HydrophobicContact CZ-CG2 4.37Å; F579-C749 PolarHBondContact N-O 2.83Å; F579-C750 HydrophobicContact CB-CB 4.08Å; F579-R756 HydrophobicContact CB-CB 4.22Å; F579-R756 PolarHBondContact O-NH1 3.01Å; F579-A760 HydrophobicContact CD2-CB 4.4Å; F579-A760 HydrophobicContact CE2-CB 3.28Å; F579-A760 HydrophobicContact CZ-CB 3.4Å; F579-Y820 HydrophobicContact CD1-CE2 4.36Å; F579-Y820 AromaticContact CE1-CE2 3.74Å; F579-Y820 HydrophobicContact CE1-CE2 3.74Å; F579-Y820 HydrophobicContact CE2-CE2 4.46Å; F579-Y820 AromaticContact CZ-CE2 3.8Å; F579-Y820 HydrophobicContact CZ-CE2 3.8Å; F579-Y820 WeakPolarHBondContact CZ-OH 3.37Å | ||
| 580 | L | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -72.6 | 141.9 | 176.8 | -65.1 | 171.7 | 0 | 0 | 0 | 111.3 | A317 S578 E586 M589 L590 L593 N661 G663 K751 | A317-L580 HydrophobicContact CB-CD1 3.84Å; A317-L580 HydrophobicContact CB-CD2 4.27Å; A317-L580 HydrophobicContact CB-CG 4.47Å; S578-L580 WeakPolarHBondContact OG-CB 3.41Å; S578-L580 WeakPolarHBondContact OG-CG 3.21Å; S578-L580 PolarHBondContact OG-N 2.83Å; S578-L580 VanDerWaalsContact OG-N 3.15Å; L580-E586 WeakPolarHBondContact CA-OE2 3.33Å; L580-E586 HydrophobicContact CB-CB 4.23Å; L580-E586 HydrophobicContact CD2-CB 4.1Å; L580-E586 HydrophobicContact CD2-CG 3.98Å; L580-M589 HydrophobicContact CD1-CB 3.62Å; L580-M589 HydrophobicContact CD2-CB 4.36Å; L580-M589 HydrophobicContact CD2-SD 4.01Å; L580-L590 HydrophobicContact CB-CD1 4.01Å; L580-L590 HydrophobicContact CB-CD2 3.95Å; L580-L590 HydrophobicContact CB-CG 3.71Å; L580-L590 HydrophobicContact CD1-CD2 3.93Å; L580-L590 HydrophobicContact CD1-CG 3.83Å; L580-L590 HydrophobicContact CG-CG 4.46Å; L580-L593 HydrophobicContact CD1-CD1 3.68Å; L580-N661 PolarHBondContact O-ND2 2.81Å; L580-N661 VanDerWaalsContact O-ND2 3.12Å; L580-N661 PolarHBondContact O-OD1 2.89Å; L580-G663 VanDerWaalsContact O-CA 3.24Å; L580-G663 WeakPolarHBondContact O-CA 3.22Å; L580-K751 HydrophobicContact CD2-CB 4.06Å | ||
| 581 | S | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -77.2 | 151.3 | 170.1 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | F583 E586 R587 D667 | S581-F583 PolarHBondContact O-N 2.94Å; S581-E586 PolarHBondContact N-OE2 3.47Å; S581-E586 CarbonylContact O-C 3.5Å; S581-E586 VanDerWaalsContact O-C 3.29Å; S581-E586 VanDerWaalsContact O-CB 3.26Å; S581-E586 WeakPolarHBondContact O-CB 3.49Å; S581-E586 WeakPolarHBondContact OG-CB 3.06Å; S581-E586 PolarHBondContact OG-OE2 3.49Å; S581-R587 PolarHBondContact O-N 3.48Å; S581-D667 VanDerWaalsContact OG-CB 3.27Å; S581-D667 WeakPolarHBondContact OG-CB 3.32Å | ||
| 582 | C | 95.9 | Very high | 97 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -77.5 | 27.8 | 172.7 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | A671 E676 | C582-A671 HydrophobicContact CB-CB 4.07Å; C582-E676 WeakPolarHBondContact CB-O 3.44Å |
| 583 | F | 94.4 | Very high | 97 | Very high | 36 Ų | 36 | 17 Ų | 17 | 16% | 0.158 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -127.8 | 145.2 | -174.9 | -151.4 | -126.6 | 0 | 0 | 0 | 112.6 | S581 S585 E586 R587 D667 L670 A671 F674 E676 | S581-F583 PolarHBondContact O-N 2.94Å; F583-S585 PolarHBondContact O-N 3.09Å; F583-E586 PolarHBondContact O-N 3.35Å; F583-R587 PolarHBondContact O-N 2.65Å; F583-D667 HydrophobicContact CB-CB 4.26Å; F583-D667 WeakPolarHBondContact CB-O 3.03Å; F583-L670 HydrophobicContact CD1-CB 3.81Å; F583-L670 HydrophobicContact CD1-CD1 4.14Å; F583-L670 HydrophobicContact CE1-CB 3.82Å; F583-L670 HydrophobicContact CE1-CD1 3.89Å; F583-L670 HydrophobicContact CG-CB 4.34Å; F583-L670 HydrophobicContact CZ-CB 4.32Å; F583-A671 HydrophobicContact CB-CB 4.09Å; F583-A671 HydrophobicContact CD2-CB 4.44Å; F583-F674 HydrophobicContact CE2-CB 4.46Å; F583-F674 AromaticContact CE2-CD2 3.81Å; F583-F674 HydrophobicContact CE2-CD2 3.81Å; F583-F674 HydrophobicContact CE2-CG 4.47Å; F583-F674 AromaticContact CZ-CD2 3.69Å; F583-F674 HydrophobicContact CZ-CD2 3.69Å; F583-F674 AromaticContact CZ-CE2 3.98Å; F583-F674 HydrophobicContact CZ-CE2 3.98Å; F583-E676 HydrophobicContact CD2-CB 4.48Å; F583-E676 HydrophobicContact CD2-CG 4.43Å |
| 584 | L | 92.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 18.4 Ų | 18.4 | 54% | 0.539 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | 46.8 | -135.3 | 174.7 | -59.2 | 171.7 | 0 | 0 | 0 | 112.3 | E586 R587 Y588 | L584-E586 PolarHBondContact O-N 3.38Å; L584-E586 VanDerWaalsContact O-N 3.16Å; L584-R587 WeakPolarHBondContact O-CB 3.31Å; L584-R587 PolarHBondContact O-N 3.27Å; L584-R587 VanDerWaalsContact O-N 3.07Å; L584-Y588 WeakPolarHBondContact O-CD2 3.37Å |
| 585 | S | 94 | Very high | 96.9 | Very high | 38 Ų | 38 | 19.9 Ų | 19.9 | 27% | 0.266 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -55.6 | -32.5 | -178.9 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | F583 R587 Y588 M589 | F583-S585 PolarHBondContact O-N 3.09Å; S585-R587 VanDerWaalsContact C-N 3.33Å; S585-Y588 PolarHBondContact O-N 2.88Å; S585-M589 WeakPolarHBondContact O-CG 3.48Å; S585-M589 PolarHBondContact O-N 2.94Å; S585-M589 VanDerWaalsContact O-N 3.15Å |
| 586 | E | 95.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -73.6 | -27.3 | -178.9 | -67.4 | -161 | 176.2 | 0 | 0 | 111.8 | L580 S581 F583 L584 Y588 M589 L590 K751 R756 | L580-E586 WeakPolarHBondContact CA-OE2 3.33Å; L580-E586 HydrophobicContact CB-CB 4.23Å; L580-E586 HydrophobicContact CD2-CB 4.1Å; L580-E586 HydrophobicContact CD2-CG 3.98Å; S581-E586 PolarHBondContact N-OE2 3.47Å; S581-E586 CarbonylContact O-C 3.5Å; S581-E586 VanDerWaalsContact O-C 3.29Å; S581-E586 VanDerWaalsContact O-CB 3.26Å; S581-E586 WeakPolarHBondContact O-CB 3.49Å; S581-E586 WeakPolarHBondContact OG-CB 3.06Å; S581-E586 PolarHBondContact OG-OE2 3.49Å; F583-E586 PolarHBondContact O-N 3.35Å; L584-E586 PolarHBondContact O-N 3.38Å; L584-E586 VanDerWaalsContact O-N 3.16Å; E586-Y588 VanDerWaalsContact C-N 3.35Å; E586-M589 HydrophobicContact CG-SD 4.43Å; E586-M589 WeakPolarHBondContact O-CB 3.35Å; E586-M589 PolarHBondContact O-N 2.89Å; E586-L590 PolarHBondContact O-N 3.49Å; E586-K751 HydrophobicContact CG-CD 4.21Å; E586-K751 WeakPolarHBondContact OE1-CB 3.37Å; E586-K751 WeakPolarHBondContact OE1-CD 3.37Å; E586-R756 IonicContact OE1-CZ 2.71Å; E586-R756 IonicContact OE1-NH1 3.59Å; E586-R756 PolarHBondContact OE1-NH1 3.23Å; E586-R756 IonicContact OE1-NH2 3.07Å; E586-R756 PolarHBondContact OE1-NH2 3.15Å; E586-R756 IonicContact OE2-CZ 3.29Å; E586-R756 IonicContact OE2-NH1 3.62Å; E586-R756 PolarHBondContact OE2-NH1 2.89Å; E586-R756 IonicContact OE2-NH2 3.19Å |
| 587 | R | 95.7 | Very high | 96.7 | Very high | 65 Ų | 65 | 19.7 Ų | 19.7 | 25% | 0.245 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 170.4 | -174.9 | -176.3 | 170.5 | 94.4 | 6.4 | 111.4 | S581 F583 L584 S585 M589 L590 E591 E676 L679 | S581-R587 PolarHBondContact O-N 3.48Å; F583-R587 PolarHBondContact O-N 2.65Å; L584-R587 WeakPolarHBondContact O-CB 3.31Å; L584-R587 PolarHBondContact O-N 3.27Å; L584-R587 VanDerWaalsContact O-N 3.07Å; S585-R587 VanDerWaalsContact C-N 3.33Å; R587-M589 VanDerWaalsContact C-N 3.32Å; R587-M589 PolarHBondContact O-N 2.88Å; R587-L590 WeakPolarHBondContact O-CA 3.46Å; R587-L590 VanDerWaalsContact O-CB 3.3Å; R587-L590 WeakPolarHBondContact O-CB 3.39Å; R587-L590 PolarHBondContact O-N 2.9Å; R587-L590 VanDerWaalsContact O-N 3.07Å; R587-E591 IonicContact NE-OE1 2.85Å; R587-E591 PolarHBondContact O-N 3.11Å; R587-E676 IonicContact CZ-OE2 2.82Å; R587-E676 IonicContact NH1-OE2 3.76Å; R587-E676 PolarHBondContact NH1-OE2 2.81Å; R587-E676 VanDerWaalsContact NH1-OE2 3.15Å; R587-L679 HydrophobicContact CG-CD2 4.14Å |
| 588 | Y | 96.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 21.7 Ų | 21.7 | 32% | 0.318 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -68.9 | -32.6 | 178.7 | -52.7 | -44.4 | 0 | 0 | 0 | 112.3 | Y325 G328 G329 L584 S585 E586 L590 E591 D592 | Y325-Y588 VanDerWaalsContact CB-CD2 3.47Å; Y325-Y588 VanDerWaalsContact CD1-CB 3.48Å; Y325-Y588 HydrophobicContact CD1-CD2 4.33Å; Y325-Y588 HydrophobicContact CD1-CG 4.37Å; Y325-Y588 HydrophobicContact CG-CD2 4.15Å; G328-Y588 VanDerWaalsContact CA-CD1 3.46Å; G329-Y588 WeakPolarHBondContact CA-O 3.3Å; L584-Y588 WeakPolarHBondContact O-CD2 3.37Å; S585-Y588 PolarHBondContact O-N 2.88Å; E586-Y588 VanDerWaalsContact C-N 3.35Å; Y588-L590 VanDerWaalsContact C-N 3.31Å; Y588-E591 WeakPolarHBondContact O-CB 3.47Å; Y588-E591 PolarHBondContact O-N 3.19Å; Y588-D592 PolarHBondContact O-N 3.13Å |
| 589 | M | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 168.9 | -60.9 | 175.3 | -152.5 | 0 | 0 | 111.7 | A317 T319 Y321 Y325 L580 S585 E586 R587 D592 L593 K751 | A317-M589 HydrophobicContact CB-CB 4.21Å; A317-M589 HydrophobicContact CB-SD 4.43Å; T319-M589 HydrophobicContact CG2-CG 3.91Å; T319-M589 HydrophobicContact CG2-SD 4.3Å; Y321-M589 HydrophobicContact CE1-CE 4.5Å; Y321-M589 HydrophobicContact CE1-SD 4.46Å; Y325-M589 HydrophobicContact CE1-CE 4.4Å; Y325-M589 HydrophobicContact CE1-CG 3.7Å; Y325-M589 HydrophobicContact CE2-CE 3.99Å; Y325-M589 WeakPolarHBondContact OH-CE 3.38Å; Y325-M589 WeakPolarHBondContact OH-CG 3.36Å; L580-M589 HydrophobicContact CD1-CB 3.62Å; L580-M589 HydrophobicContact CD2-CB 4.36Å; L580-M589 HydrophobicContact CD2-SD 4.01Å; S585-M589 WeakPolarHBondContact O-CG 3.48Å; S585-M589 PolarHBondContact O-N 2.94Å; S585-M589 VanDerWaalsContact O-N 3.15Å; E586-M589 HydrophobicContact CG-SD 4.43Å; E586-M589 WeakPolarHBondContact O-CB 3.35Å; E586-M589 PolarHBondContact O-N 2.89Å; R587-M589 VanDerWaalsContact C-N 3.32Å; R587-M589 PolarHBondContact O-N 2.88Å; M589-D592 WeakPolarHBondContact O-CB 3.34Å; M589-D592 PolarHBondContact O-N 3.42Å; M589-L593 WeakPolarHBondContact O-CG 3.42Å; M589-L593 PolarHBondContact O-N 3.37Å; M589-L593 VanDerWaalsContact O-N 3.1Å; M589-K751 HydrophobicContact CE-CD 4.06Å; M589-K751 HydrophobicContact CE-CG 4.05Å; M589-K751 HydrophobicContact SD-CB 4.45Å; M589-K751 HydrophobicContact SD-CG 4Å |
| 590 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.5 | -40.7 | 173.9 | -78.9 | 168.5 | 0 | 0 | 0 | 112.2 | L580 E586 R587 Y588 D592 L593 I594 N661 L679 I683 | L580-L590 HydrophobicContact CB-CD1 4.01Å; L580-L590 HydrophobicContact CB-CD2 3.95Å; L580-L590 HydrophobicContact CB-CG 3.71Å; L580-L590 HydrophobicContact CD1-CD2 3.93Å; L580-L590 HydrophobicContact CD1-CG 3.83Å; L580-L590 HydrophobicContact CG-CG 4.46Å; E586-L590 PolarHBondContact O-N 3.49Å; R587-L590 WeakPolarHBondContact O-CA 3.46Å; R587-L590 VanDerWaalsContact O-CB 3.3Å; R587-L590 WeakPolarHBondContact O-CB 3.39Å; R587-L590 PolarHBondContact O-N 2.9Å; R587-L590 VanDerWaalsContact O-N 3.07Å; Y588-L590 VanDerWaalsContact C-N 3.31Å; L590-D592 PolarHBondContact O-N 3.42Å; L590-L593 HydrophobicContact CD2-CD1 4.34Å; L590-L593 PolarHBondContact O-N 3.21Å; L590-L593 VanDerWaalsContact O-N 3.15Å; L590-I594 VanDerWaalsContact O-CG1 3.24Å; L590-I594 WeakPolarHBondContact O-CG1 3.32Å; L590-I594 PolarHBondContact O-N 2.94Å; L590-N661 HydrophobicContact CD2-CB 4.2Å; L590-N661 VanDerWaalsContact CD2-OD1 3.31Å; L590-N661 WeakPolarHBondContact CD2-OD1 3.45Å; L590-L679 HydrophobicContact CB-CD2 4.47Å; L590-I683 HydrophobicContact CD2-CD1 4.2Å |
| 591 | E | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 24.6 Ų | 24.6 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.5 | -41 | 173.4 | -70.2 | 172.1 | -163.7 | 0 | 0 | 111.7 | G329 R331 G332 R587 Y588 E595 | G329-E591 WeakPolarHBondContact CA-OE2 3.38Å; G329-E591 PolarHBondContact N-OE2 3.18Å; R331-E591 HydrophobicContact CB-CB 3.9Å; R331-E591 HydrophobicContact CB-CG 4.02Å; G332-E591 PolarHBondContact N-OE2 3.34Å; G332-E591 VanDerWaalsContact N-OE2 3.11Å; R587-E591 IonicContact NE-OE1 2.85Å; R587-E591 PolarHBondContact O-N 3.11Å; Y588-E591 WeakPolarHBondContact O-CB 3.47Å; Y588-E591 PolarHBondContact O-N 3.19Å; E591-E595 PolarHBondContact O-N 2.54Å |
| 592 | D | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.6 | -68.5 | -7.5 | 0 | 0 | 0 | 111.9 | F318 T319 G329 L330 R532 V536 Y588 M589 L590 I594 E595 M596 | F318-D592 WeakPolarHBondContact O-CB 3.48Å; T319-D592 WeakPolarHBondContact CA-OD2 3.27Å; T319-D592 WeakPolarHBondContact CB-OD2 3.27Å; T319-D592 PolarHBondContact OG1-OD2 3.5Å; G329-D592 WeakPolarHBondContact CA-OD1 3.48Å; L330-D592 HydrophobicContact CD1-CB 4.45Å; L330-D592 WeakPolarHBondContact CG-OD1 2.92Å; L330-D592 PolarHBondContact N-OD1 3.42Å; R532-D592 IonicContact CZ-OD1 2.73Å; R532-D592 IonicContact CZ-OD2 3.88Å; R532-D592 VanDerWaalsContact CZ-OD2 3.26Å; R532-D592 IonicContact NE-OD1 2.74Å; R532-D592 PolarHBondContact NE-OD1 2.97Å; R532-D592 IonicContact NE-OD2 3.56Å; R532-D592 PolarHBondContact NE-OD2 3.01Å; R532-D592 IonicContact NH2-OD1 2.71Å; R532-D592 IonicContact NH2-OD2 2.91Å; R532-D592 PolarHBondContact NH2-OD2 3.33Å; V536-D592 HydrophobicContact CG1-CB 4.15Å; V536-D592 HydrophobicContact CG2-CB 4.35Å; Y588-D592 PolarHBondContact O-N 3.13Å; M589-D592 WeakPolarHBondContact O-CB 3.34Å; M589-D592 PolarHBondContact O-N 3.42Å; L590-D592 PolarHBondContact O-N 3.42Å; D592-I594 PolarHBondContact O-N 3.36Å; D592-E595 PolarHBondContact O-N 3.27Å; D592-M596 WeakPolarHBondContact O-CG 3.48Å; D592-M596 PolarHBondContact O-N 2.76Å |
| 593 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 178.2 | -72 | -178.7 | 0 | 0 | 0 | 112.7 | F318 L576 L580 M589 L590 M596 A597 L659 | F318-L593 HydrophobicContact CB-CD2 3.8Å; F318-L593 HydrophobicContact CD2-CD2 3.53Å; F318-L593 HydrophobicContact CE2-CD2 4.35Å; F318-L593 HydrophobicContact CG-CD2 3.87Å; L576-L593 HydrophobicContact CD2-CD2 4.32Å; L580-L593 HydrophobicContact CD1-CD1 3.68Å; M589-L593 WeakPolarHBondContact O-CG 3.42Å; M589-L593 PolarHBondContact O-N 3.37Å; M589-L593 VanDerWaalsContact O-N 3.1Å; L590-L593 HydrophobicContact CD2-CD1 4.34Å; L590-L593 PolarHBondContact O-N 3.21Å; L590-L593 VanDerWaalsContact O-N 3.15Å; L593-M596 PolarHBondContact O-N 2.8Å; L593-A597 WeakPolarHBondContact O-CB 3.25Å; L593-A597 PolarHBondContact O-N 3.1Å; L593-L659 HydrophobicContact CB-CD1 4.38Å; L593-L659 HydrophobicContact CB-CD2 3.95Å; L593-L659 HydrophobicContact CD1-CD1 4.39Å |
| 594 | I | 97.7 | Very high | 96.2 | Very high | 33 Ų | 33 | 31 Ų | 31 | 17% | 0.169 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 178.5 | -69.1 | 162.8 | 0 | 0 | 0 | 109.9 | L590 D592 M596 A597 S598 L659 L679 I683 | L590-I594 VanDerWaalsContact O-CG1 3.24Å; L590-I594 WeakPolarHBondContact O-CG1 3.32Å; L590-I594 PolarHBondContact O-N 2.94Å; D592-I594 PolarHBondContact O-N 3.36Å; I594-M596 PolarHBondContact O-N 3.1Å; I594-A597 PolarHBondContact O-N 3.35Å; I594-S598 WeakPolarHBondContact O-CB 3.24Å; I594-S598 PolarHBondContact O-N 2.97Å; I594-S598 VanDerWaalsContact O-N 3.09Å; I594-L659 HydrophobicContact CG1-CD2 3.84Å; I594-L679 HydrophobicContact CD1-CD1 3.95Å; I594-I683 HydrophobicContact CD1-CD1 3.97Å; I594-I683 HydrophobicContact CD1-CG1 4.02Å; I594-I683 HydrophobicContact CG1-CD1 4.23Å; I594-I683 HydrophobicContact CG1-CG1 4.17Å |
| 595 | E | 96.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 29.6 Ų | 29.6 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 178.8 | -77.6 | -59 | 142.5 | 0 | 0 | 111.9 | L330 R331 K352 Y533 E591 D592 S598 L599 | L330-E595 HydrophobicContact CB-CB 4.04Å; L330-E595 HydrophobicContact CB-CG 3.8Å; L330-E595 HydrophobicContact CD1-CB 3.93Å; R331-E595 HydrophobicContact CB-CG 4.41Å; K352-E595 IonicContact NZ-OE2 3.13Å; K352-E595 PolarHBondContact NZ-OE2 2.74Å; Y533-E595 PolarHBondContact OH-OE2 2.9Å; E591-E595 PolarHBondContact O-N 2.54Å; D592-E595 PolarHBondContact O-N 3.27Å; E595-S598 PolarHBondContact O-N 2.97Å; E595-L599 VanDerWaalsContact O-CB 3.32Å; E595-L599 WeakPolarHBondContact O-CB 3.29Å; E595-L599 PolarHBondContact O-N 2.77Å |
| 596 | M | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 178.7 | -72 | -47.7 | 90.2 | 0 | 0 | 113.5 | L330 Y533 V536 L537 A540 D592 L593 I594 S598 L599 L600 | L330-M596 HydrophobicContact CD1-CE 3.36Å; Y533-M596 HydrophobicContact CD1-CE 3.54Å; Y533-M596 HydrophobicContact CE1-CE 3.52Å; V536-M596 HydrophobicContact CB-CG 3.99Å; V536-M596 HydrophobicContact CB-SD 4Å; V536-M596 HydrophobicContact CG1-CG 3.23Å; V536-M596 HydrophobicContact CG1-SD 3.93Å; L537-M596 HydrophobicContact CB-SD 4.08Å; A540-M596 HydrophobicContact CB-CB 4.25Å; A540-M596 HydrophobicContact CB-CG 4.29Å; D592-M596 WeakPolarHBondContact O-CG 3.48Å; D592-M596 PolarHBondContact O-N 2.76Å; L593-M596 PolarHBondContact O-N 2.8Å; I594-M596 PolarHBondContact O-N 3.1Å; M596-S598 PolarHBondContact O-N 3.02Å; M596-L599 HydrophobicContact CE-CD1 4.29Å; M596-L599 PolarHBondContact O-N 3.2Å; M596-L600 WeakPolarHBondContact O-CB 3.28Å; M596-L600 VanDerWaalsContact O-CG 3.25Å; M596-L600 WeakPolarHBondContact O-CG 3.28Å; M596-L600 PolarHBondContact O-N 2.86Å |
| 597 | A | 97.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | L593 I594 R601 V657 L659 | L593-A597 WeakPolarHBondContact O-CB 3.25Å; L593-A597 PolarHBondContact O-N 3.1Å; I594-A597 PolarHBondContact O-N 3.35Å; A597-R601 WeakPolarHBondContact O-CB 3.29Å; A597-R601 PolarHBondContact O-N 2.9Å; A597-R601 PolarHBondContact O-NH2 2.71Å; A597-V657 HydrophobicContact CB-CG1 4.13Å; A597-L659 HydrophobicContact CB-CB 4.02Å |
| 598 | S | 96.3 | Very high | 96.5 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 29% | 0.294 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 174.3 | -167.3 | 0 | 0 | 0 | 0 | 112.8 | I594 E595 M596 R601 S602 | I594-S598 WeakPolarHBondContact O-CB 3.24Å; I594-S598 PolarHBondContact O-N 2.97Å; I594-S598 VanDerWaalsContact O-N 3.09Å; E595-S598 PolarHBondContact O-N 2.97Å; M596-S598 PolarHBondContact O-N 3.02Å; S598-R601 PolarHBondContact O-N 3.36Å; S598-S602 WeakPolarHBondContact O-CB 3.49Å; S598-S602 PolarHBondContact O-N 2.74Å; S598-S602 VanDerWaalsContact O-N 3.07Å; S598-S602 PolarHBondContact O-OG 2.84Å |
| 599 | L | 94.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65 | -47.1 | -179.5 | -173.7 | 156.8 | 0 | 0 | 0 | 111.5 | Y533 L537 E595 M596 R601 S602 R603 L626 I629 | Y533-L599 HydrophobicContact CD1-CD1 4.08Å; Y533-L599 HydrophobicContact CE1-CD1 3.91Å; L537-L599 HydrophobicContact CD1-CD2 3.61Å; E595-L599 VanDerWaalsContact O-CB 3.32Å; E595-L599 WeakPolarHBondContact O-CB 3.29Å; E595-L599 PolarHBondContact O-N 2.77Å; M596-L599 HydrophobicContact CE-CD1 4.29Å; M596-L599 PolarHBondContact O-N 3.2Å; L599-R601 VanDerWaalsContact C-N 3.27Å; L599-R601 PolarHBondContact O-N 3.37Å; L599-S602 PolarHBondContact O-N 3.26Å; L599-R603 HydrophobicContact CD2-CB 4.42Å; L599-R603 HydrophobicContact CG-CB 4.35Å; L599-R603 HydrophobicContact CG-CG 4.48Å; L599-R603 WeakPolarHBondContact O-CA 3.41Å; L599-R603 WeakPolarHBondContact O-CB 3.47Å; L599-R603 PolarHBondContact O-N 2.95Å; L599-L626 HydrophobicContact CD1-CD2 3.97Å; L599-I629 HydrophobicContact CD2-CD1 3.76Å |
| 600 | L | 95.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.7 | -41.3 | 177.4 | -71.7 | 167.3 | 0 | 0 | 0 | 112 | A540 L541 I544 M596 C604 V657 | A540-L600 HydrophobicContact CB-CD1 3.94Å; L541-L600 HydrophobicContact CD2-CD2 3.63Å; L541-L600 HydrophobicContact CG-CD2 4.14Å; I544-L600 HydrophobicContact CG1-CD1 3.92Å; M596-L600 WeakPolarHBondContact O-CB 3.28Å; M596-L600 VanDerWaalsContact O-CG 3.25Å; M596-L600 WeakPolarHBondContact O-CG 3.28Å; M596-L600 PolarHBondContact O-N 2.86Å; L600-C604 WeakPolarHBondContact O-CB 3.3Å; L600-C604 PolarHBondContact O-N 3.2Å; L600-V657 HydrophobicContact CB-CB 4.5Å; L600-V657 HydrophobicContact CB-CG2 3.93Å; L600-V657 HydrophobicContact CD1-CG2 4.02Å |
| 601 | R | 96.6 | Very high | 95 | Very high | 58 Ų | 58 | 32.2 Ų | 32.2 | 22% | 0.219 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.9 | -37.2 | 179.9 | -165.7 | -171.1 | -29.6 | 97.1 | 5.5 | 113.7 | A597 S598 L599 | A597-R601 WeakPolarHBondContact O-CB 3.29Å; A597-R601 PolarHBondContact O-N 2.9Å; A597-R601 PolarHBondContact O-NH2 2.71Å; S598-R601 PolarHBondContact O-N 3.36Å; L599-R601 VanDerWaalsContact C-N 3.27Å; L599-R601 PolarHBondContact O-N 3.37Å |
| 602 | S | 95.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 47% | 0.469 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -100.6 | -23.6 | -168.7 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | S598 L599 | S598-S602 WeakPolarHBondContact O-CB 3.49Å; S598-S602 PolarHBondContact O-N 2.74Å; S598-S602 VanDerWaalsContact O-N 3.07Å; S598-S602 PolarHBondContact O-OG 2.84Å; L599-S602 PolarHBondContact O-N 3.26Å |
| 603 | R | 94.2 | Very high | 91.8 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -124.2 | -12 | -170.9 | -56.7 | -58.5 | -174.7 | 161.2 | -5.7 | 114 | L599 G627 I629 | L599-R603 HydrophobicContact CD2-CB 4.42Å; L599-R603 HydrophobicContact CG-CB 4.35Å; L599-R603 HydrophobicContact CG-CG 4.48Å; L599-R603 WeakPolarHBondContact O-CA 3.41Å; L599-R603 WeakPolarHBondContact O-CB 3.47Å; L599-R603 PolarHBondContact O-N 2.95Å; R603-G627 WeakPolarHBondContact CD-O 3.24Å; R603-G627 PolarHBondContact NH1-O 2.7Å; R603-I629 PolarHBondContact O-N 2.95Å |
| 604 | C | 95.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.9 | 176.1 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | L600 F606 I629 | L600-C604 WeakPolarHBondContact O-CB 3.3Å; L600-C604 PolarHBondContact O-N 3.2Å; C604-F606 HydrophobicContact CB-CE2 3.89Å; C604-F606 HydrophobicContact CB-CZ 4.33Å; C604-I629 WeakPolarHBondContact CA-O 3.42Å; C604-I629 HydrophobicContact CB-CB 4.43Å |
| 605 | K | 96.3 | Very high | 87.7 | Confident | 72 Ų | 72 | 51.3 Ų | 51.3 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.8 | 169.8 | 59.2 | 176.2 | -170 | 170.2 | 0 | 111 | I629 K630 V631 W652 F653 | K605-I629 PolarHBondContact N-O 2.78Å; K605-K630 HydrophobicContact CG-CG 4.16Å; K605-K630 WeakPolarHBondContact O-CA 3.24Å; K605-V631 PolarHBondContact O-N 2.74Å; K605-W652 HydrophobicContact CB-CB 4.41Å; K605-W652 HydrophobicContact CB-CE3 3.95Å; K605-W652 HydrophobicContact CD-CB 4Å; K605-W652 HydrophobicContact CD-CD2 3.72Å; K605-W652 HydrophobicContact CD-CE3 3.8Å; K605-W652 HydrophobicContact CD-CG 3.81Å; K605-W652 HydrophobicContact CG-CD2 4Å; K605-W652 HydrophobicContact CG-CE3 3.51Å; K605-W652 HydrophobicContact CG-CG 4.46Å; K605-W652 HydrophobicContact CG-CZ3 4.06Å; K605-W652 WeakPolarHBondContact O-CZ3 3.31Å; K605-F653 WeakPolarHBondContact CA-O 3.24Å |
| 606 | F | 97.2 | Very high | 86 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145 | -170.9 | -62.3 | -101.4 | 0 | 0 | 0 | 110 | I544 V545 L548 C604 V631 L633 W652 F653 V655 | I544-F606 HydrophobicContact CG2-CZ 4.12Å; V545-F606 HydrophobicContact CG2-CE1 4.08Å; L548-F606 HydrophobicContact CD1-CD1 3.59Å; L548-F606 HydrophobicContact CD1-CE1 3.73Å; L548-F606 HydrophobicContact CD1-CG 4.11Å; L548-F606 HydrophobicContact CD1-CZ 4.35Å; C604-F606 HydrophobicContact CB-CE2 3.89Å; C604-F606 HydrophobicContact CB-CZ 4.33Å; F606-V631 CarbonylContact C-O 3.59Å; F606-V631 VanDerWaalsContact CA-O 3.22Å; F606-V631 WeakPolarHBondContact CA-O 3.38Å; F606-V631 HydrophobicContact CD1-CB 3.54Å; F606-V631 HydrophobicContact CD1-CG1 3.83Å; F606-V631 HydrophobicContact CD1-CG2 4.2Å; F606-V631 HydrophobicContact CE1-CB 3.65Å; F606-V631 HydrophobicContact CE1-CG1 3.87Å; F606-V631 HydrophobicContact CE1-CG2 3.82Å; F606-V631 HydrophobicContact CG-CB 4.29Å; F606-V631 HydrophobicContact CZ-CB 4.48Å; F606-V631 HydrophobicContact CZ-CG2 4.26Å; F606-L633 HydrophobicContact CD1-CD1 4.17Å; F606-L633 HydrophobicContact CD1-CG 4.48Å; F606-W652 VanDerWaalsContact C-CE3 3.44Å; F606-W652 CarbonylContact O-C 3.54Å; F606-W652 VanDerWaalsContact O-CA 3.28Å; F606-W652 WeakPolarHBondContact O-CA 3.19Å; F606-F653 HydrophobicContact CB-CD1 4.17Å; F606-F653 HydrophobicContact CB-CD2 4.22Å; F606-F653 HydrophobicContact CB-CE1 3.68Å; F606-F653 HydrophobicContact CB-CE2 3.75Å; F606-F653 HydrophobicContact CB-CG 4.42Å; F606-F653 HydrophobicContact CB-CZ 3.45Å; F606-F653 VanDerWaalsContact CB-CZ 3.45Å; F606-F653 HydrophobicContact CG-CE2 4.4Å; F606-F653 HydrophobicContact CG-CZ 4.4Å; F606-F653 PolarHBondContact N-O 3.39Å; F606-F653 WeakPolarHBondContact O-CD1 3.49Å; F606-F653 PolarHBondContact O-N 2.91Å; F606-V655 HydrophobicContact CD2-CB 4.32Å; F606-V655 HydrophobicContact CD2-CG2 3.36Å; F606-V655 HydrophobicContact CE1-CG2 4.48Å; F606-V655 HydrophobicContact CE2-CB 3.9Å; F606-V655 HydrophobicContact CE2-CG2 3.26Å; F606-V655 HydrophobicContact CG-CG2 4.07Å; F606-V655 HydrophobicContact CZ-CG2 3.88Å |
| 607 | R | 95.6 | Very high | 84.6 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 31% | 0.306 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 155.9 | 170.7 | 68.4 | 170.9 | 174.8 | 179.8 | -2.7 | 110 | E623 V631 T632 L633 W652 | R607-E623 IonicContact NH2-OE2 2.79Å; R607-V631 PolarHBondContact N-O 3.48Å; R607-T632 HydrophobicContact CG-CG2 3.98Å; R607-T632 PolarHBondContact NE-OG1 2.86Å; R607-T632 PolarHBondContact NH2-OG1 3.37Å; R607-T632 WeakPolarHBondContact O-CA 3.23Å; R607-L633 PolarHBondContact O-N 3.25Å; R607-W652 HydrophobicContact CB-CD2 4.03Å; R607-W652 HydrophobicContact CB-CE3 3.79Å; R607-W652 HydrophobicContact CB-CH2 4.2Å; R607-W652 HydrophobicContact CB-CZ2 4.44Å; R607-W652 HydrophobicContact CB-CZ3 3.88Å; R607-W652 HydrophobicContact CG-CD2 4.48Å; R607-W652 HydrophobicContact CG-CE3 4.1Å; R607-W652 HydrophobicContact CG-CH2 3.6Å; R607-W652 HydrophobicContact CG-CZ2 4.03Å; R607-W652 HydrophobicContact CG-CZ3 3.65Å |
| 608 | L | 94.6 | Very high | 83.5 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 146.3 | 178.6 | -55.2 | -172.2 | 0 | 0 | 0 | 110.7 | L552 L633 V635 W640 L643 L647 F653 | L552-L608 HydrophobicContact CD1-CD2 3.77Å; L552-L608 HydrophobicContact CD2-CD1 3.98Å; L552-L608 HydrophobicContact CD2-CD2 4.26Å; L608-L633 WeakPolarHBondContact CA-O 3.41Å; L608-L633 HydrophobicContact CD2-CB 3.94Å; L608-L633 HydrophobicContact CD2-CD1 4.37Å; L608-V635 HydrophobicContact CB-CG2 3.83Å; L608-V635 HydrophobicContact CD1-CG2 4.05Å; L608-V635 HydrophobicContact CD2-CG2 4.18Å; L608-V635 HydrophobicContact CG-CG2 4.23Å; L608-W640 HydrophobicContact CB-CZ3 4.18Å; L608-L643 HydrophobicContact CD1-CD1 3.98Å; L608-L643 HydrophobicContact CD1-CD2 4.01Å; L608-L647 HydrophobicContact CD1-CB 4.21Å; L608-L647 HydrophobicContact CD1-CD1 4.01Å; L608-F653 HydrophobicContact CD2-CE1 3.9Å; L608-F653 HydrophobicContact CD2-CZ 4.22Å; L608-F653 HydrophobicContact CG-CE1 4.03Å |
| 609 | V | 89.6 | Confident | 82.7 | Confident | 57 Ų | 57 | 64 Ų | 64 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.6 | 172.6 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | M611 T632 L633 P634 V635 | V609-M611 PolarHBondContact O-N 3.09Å; V609-T632 HydrophobicContact CB-CG2 4.16Å; V609-T632 HydrophobicContact CG1-CG2 3.45Å; V609-T632 VanDerWaalsContact CG1-CG2 3.45Å; V609-T632 HydrophobicContact CG2-CG2 3.6Å; V609-L633 PolarHBondContact N-O 3.22Å; V609-P634 WeakPolarHBondContact O-CA 3.38Å; V609-V635 PolarHBondContact O-N 2.72Å |
| 610 | R | 89.7 | Confident | 82.2 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 128.8 | 177.6 | -166.1 | 173.2 | -170.3 | 143.4 | 13 | 109.7 | S637 W640 D641 | R610-S637 PolarHBondContact NE-OG 2.69Å; R610-S637 PolarHBondContact NH2-O 3.47Å; R610-W640 HydrophobicContact CB-CD2 3.54Å; R610-W640 HydrophobicContact CB-CE3 3.71Å; R610-W640 HydrophobicContact CB-CG 3.97Å; R610-W640 HydrophobicContact CB-CH2 4.36Å; R610-W640 HydrophobicContact CB-CZ2 4.21Å; R610-W640 HydrophobicContact CB-CZ3 4.14Å; R610-W640 HydrophobicContact CG-CB 3.94Å; R610-W640 HydrophobicContact CG-CD2 3.82Å; R610-W640 HydrophobicContact CG-CE3 4.25Å; R610-W640 HydrophobicContact CG-CG 3.67Å; R610-D641 IonicContact CZ-OD1 3.21Å; R610-D641 IonicContact CZ-OD2 3.84Å; R610-D641 IonicContact NH1-OD1 2.92Å; R610-D641 PolarHBondContact NH1-OD1 3.4Å; R610-D641 IonicContact NH1-OD2 2.96Å; R610-D641 IonicContact NH2-OD1 2.61Å; R610-D641 PolarHBondContact NH2-OD1 2.58Å; R610-D641 IonicContact NH2-OD2 3.43Å; R610-D641 PolarHBondContact NH2-OD2 3.26Å |
| 611 | M | 81.9 | Confident | 81.6 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 123.6 | 172.2 | -172.7 | 154.6 | 161.4 | 0 | 0 | 110.1 | L191 W553 V609 S615 S617 P634 V635 S637 | L191-M611 HydrophobicContact CD2-CE 4.25Å; W553-M611 HydrophobicContact CH2-CE 4Å; W553-M611 HydrophobicContact CH2-SD 3.41Å; W553-M611 WeakPolarHBondContact CH2-SD 3.35Å; W553-M611 HydrophobicContact CZ2-SD 3.54Å; W553-M611 VanDerWaalsContact CZ2-SD 3.54Å; V609-M611 PolarHBondContact O-N 3.09Å; M611-S615 WeakPolarHBondContact CE-O 3.31Å; M611-S615 WeakPolarHBondContact CE-OG 3.19Å; M611-S617 WeakPolarHBondContact CE-O 3.47Å; M611-P634 HydrophobicContact CB-CB 4.27Å; M611-P634 HydrophobicContact SD-CB 4.07Å; M611-V635 WeakPolarHBondContact CB-O 3.43Å; M611-V635 PolarHBondContact N-O 3.22Å; M611-S637 PolarHBondContact O-OG 2.94Å |
| 612 | F | 70 | Confident | 81 | Confident | 151 Ų | 151 | 67.2 Ų | 67.2 | 66% | 0.662 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 131.6 | 175.5 | -60.1 | -78.8 | 0 | 0 | 0 | 110.3 | V614 S615 | F612-V614 PolarHBondContact O-N 3.1Å; F612-S615 PolarHBondContact O-N 3.16Å; F612-S615 VanDerWaalsContact O-N 3.12Å; F612-S615 PolarHBondContact O-OG 2.87Å; F612-S615 VanDerWaalsContact O-OG 3.11Å |
| 613 | S | 59.2 | Low | 80.5 | Confident | 118 Ų | 118 | 68.1 Ų | 68.1 | 83% | 0.825 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -20.5 | -172.7 | 155.5 | 0 | 0 | 0 | 0 | 116.4 | S615 | S613-S615 VanDerWaalsContact C-N 3.3Å; S613-S615 PolarHBondContact O-N 2.8Å |
| 614 | V | 54 | Low | 80 | Confident | 135 Ų | 135 | 64.5 Ų | 64.5 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -23 | -177.8 | -156.1 | 0 | 0 | 0 | 0 | 112.7 | F612 | F612-V614 PolarHBondContact O-N 3.1Š|
| 615 | S | 54.1 | Low | 79.6 | Confident | 47 Ų | 47 | 65 Ų | 65 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | trans | -90.5 | 124.2 | -178.8 | 56.3 | 0 | 0 | 0 | 0 | 112 | M611 F612 S613 S617 | M611-S615 WeakPolarHBondContact CE-O 3.31Å; M611-S615 WeakPolarHBondContact CE-OG 3.19Å; F612-S615 PolarHBondContact O-N 3.16Å; F612-S615 VanDerWaalsContact O-N 3.12Å; F612-S615 PolarHBondContact O-OG 2.87Å; F612-S615 VanDerWaalsContact O-OG 3.11Å; S613-S615 VanDerWaalsContact C-N 3.3Å; S613-S615 PolarHBondContact O-N 2.8Å; S615-S617 VanDerWaalsContact C-N 3.26Å; S615-S617 PolarHBondContact O-N 3.21Å | ||
| 616 | K | 61.3 | Low | 79.2 | Confident | 192 Ų | 192 | 62.1 Ų | 62.1 | 84% | 0.835 | 34% | 0.343 | S | S | * | . | trans | -90.6 | 24.9 | 170.6 | -64.6 | -170.4 | 176.7 | -172.4 | 0 | 112.9 | L191 | L191-K616 WeakPolarHBondContact CD1-O 2.89Š| ||
| 617 | S | 66.9 | Low | 78.7 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | trans | -133.5 | 117.1 | -175.2 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | M611 S615 S619 | M611-S617 WeakPolarHBondContact CE-O 3.47Å; S615-S617 VanDerWaalsContact C-N 3.26Å; S615-S617 PolarHBondContact O-N 3.21Å; S617-S619 PolarHBondContact O-N 2.89Å | ||
| 618 | C | 75 | Confident | 78.5 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 12% | 0.122 | 34% | 0.344 | C | S | . | . | trans | -86.4 | 88.7 | 166.6 | 173.5 | 0 | 0 | 0 | 0 | 108.3 | L191 L192 W553 P634 | L191-C618 HydrophobicContact CD1-CB 4.45Å; L191-C618 HydrophobicContact CD2-CB 3.6Å; L191-C618 HydrophobicContact CG-CB 3.77Å; L192-C618 HydrophobicContact CD2-CB 3.92Å; L192-C618 WeakPolarHBondContact CD2-SG 3.45Å; W553-C618 HydrophobicContact CH2-CB 4.37Å; W553-C618 HydrophobicContact CZ2-CB 3.99Å; C618-P634 HydrophobicContact CB-CG 4.46Å; C618-P634 VanDerWaalsContact SG-CG 3.55Å | ||
| 619 | S | 79 | Confident | 78.3 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 56% | 0.559 | 35% | 0.345 | S | S | * | . | trans | -114.5 | 107.6 | 179.6 | -64.5 | 0 | 0 | 0 | 0 | 109.8 | S617 | S617-S619 PolarHBondContact O-N 2.89Š| ||
| 620 | P | 84.9 | Confident | 78.4 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | trans | -68.6 | 153.2 | 170.5 | 30.1 | -34.5 | 0 | 0 | 0 | 110.8 | L222 V545 L549 T632 L633 | L222-P620 HydrophobicContact CB-CG 4.46Å; L222-P620 HydrophobicContact CD1-CG 3.4Å; L222-P620 HydrophobicContact CD2-CG 3.22Å; L222-P620 HydrophobicContact CG-CG 3.82Å; V545-P620 HydrophobicContact CG1-CB 4.1Å; V545-P620 HydrophobicContact CG1-CG 3.88Å; L549-P620 HydrophobicContact CD1-CG 4.43Å; P620-T632 CarbonylContact C-O 3.46Å; P620-T632 WeakPolarHBondContact CA-O 3.34Å; P620-T632 WeakPolarHBondContact CB-O 3.35Å; P620-L633 HydrophobicContact CB-CD2 3.73Å | ||
| 621 | V | 82.2 | Confident | 78.5 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.6 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | E623 V631 T632 | V621-E623 HydrophobicContact CG1-CG 3.97Å; V621-V631 CarbonylContact O-C 3.45Å; V621-V631 WeakPolarHBondContact O-CA 3.22Å; V621-T632 PolarHBondContact N-O 3.35Å; V621-T632 PolarHBondContact O-N 3.13Å |
| 622 | V | 84 | Confident | 78.9 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 21% | 0.212 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.8 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | C224 L541 I629 V631 | C224-V622 HydrophobicContact CB-CG2 4.36Å; L541-V622 HydrophobicContact CD1-CG1 4.37Å; V622-I629 HydrophobicContact CG1-CG2 4.14Å; V622-V631 HydrophobicContact CG1-CG2 4.48Å; V622-V631 HydrophobicContact CG2-CG1 4.36Å; V622-V631 HydrophobicContact CG2-CG2 4.35Å |
| 623 | E | 84.5 | Confident | 79.9 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153.6 | -178.3 | -55.5 | 175.6 | 99 | 0 | 0 | 110.7 | R607 V621 K630 | R607-E623 IonicContact NH2-OE2 2.79Å; V621-E623 HydrophobicContact CG1-CG 3.97Å; E623-K630 HydrophobicContact CB-CB 4.27Å; E623-K630 PolarHBondContact N-O 3.25Å; E623-K630 PolarHBondContact O-N 3.28Å |
| 624 | G | 84.8 | Confident | 81.4 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 27% | 0.268 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.5 | -151.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A226 | A226-G624 WeakPolarHBondContact CB-O 3.46Å |
| 625 | D | 86 | Confident | 83.1 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | -178.9 | -171.6 | 63.8 | 52.2 | 0 | 0 | 0 | 110.2 | F228 A355 R359 G627 A628 I629 | F228-D625 HydrophobicContact CB-CB 4.1Å; F228-D625 HydrophobicContact CD1-CB 3.93Å; F228-D625 HydrophobicContact CD2-CB 4.14Å; F228-D625 HydrophobicContact CE1-CB 4.38Å; F228-D625 VanDerWaalsContact CE2-OD2 3.25Å; F228-D625 WeakPolarHBondContact CE2-OD2 3.14Å; F228-D625 HydrophobicContact CG-CB 3.76Å; F228-D625 WeakPolarHBondContact CZ-OD2 3.47Å; A355-D625 HydrophobicContact CB-CB 4.24Å; A355-D625 VanDerWaalsContact CB-OD1 3.26Å; A355-D625 WeakPolarHBondContact CB-OD1 3.36Å; R359-D625 IonicContact CZ-OD1 3.43Å; R359-D625 IonicContact CZ-OD2 2.8Å; R359-D625 IonicContact NE-OD1 3.74Å; R359-D625 IonicContact NE-OD2 3.59Å; R359-D625 PolarHBondContact NE-OD2 3.13Å; R359-D625 IonicContact NH1-OD2 3.9Å; R359-D625 IonicContact NH2-OD1 3.08Å; R359-D625 PolarHBondContact NH2-OD1 3.47Å; R359-D625 IonicContact NH2-OD2 3.91Å; R359-D625 PolarHBondContact NH2-OD2 3.27Å; D625-G627 PolarHBondContact O-N 2.82Å; D625-G627 WeakPolarHBondContact OD1-CA 3.36Å; D625-G627 PolarHBondContact OD1-N 3.31Å; D625-A628 PolarHBondContact N-O 3.13Å; D625-A628 CarbonylContact O-C 3.59Å; D625-A628 PolarHBondContact O-N 3.23Å; D625-I629 WeakPolarHBondContact O-CG1 3.4Å |
| 626 | L | 88.4 | Confident | 84.8 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -23.8 | -178.1 | -67.7 | 174.3 | 0 | 0 | 0 | 114.9 | L351 A355 L530 Y533 L537 L599 | L351-L626 HydrophobicContact CB-CD1 4.14Å; A355-L626 HydrophobicContact CB-CB 4.1Å; L530-L626 HydrophobicContact CD1-CD1 4.34Å; Y533-L626 HydrophobicContact CD1-CD2 4.02Å; Y533-L626 HydrophobicContact CG-CD1 4.27Å; Y533-L626 HydrophobicContact CG-CD2 4.35Å; L537-L626 HydrophobicContact CD2-CD2 3.82Å; L599-L626 HydrophobicContact CD1-CD2 3.97Å |
| 627 | G | 87.2 | Confident | 86 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -28.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K352 R603 D625 | K352-G627 WeakPolarHBondContact O-CA 3.43Å; R603-G627 WeakPolarHBondContact CD-O 3.24Å; R603-G627 PolarHBondContact NH1-O 2.7Å; D625-G627 PolarHBondContact O-N 2.82Å; D625-G627 WeakPolarHBondContact OD1-CA 3.36Å; D625-G627 PolarHBondContact OD1-N 3.31Å |
| 628 | A | 91 | Very high | 87 | Confident | 37 Ų | 37 | 30.7 Ų | 30.7 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 115.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | R359 D625 | R359-A628 VanDerWaalsContact NH2-N 3.16Å; R359-A628 PolarHBondContact NH2-O 2.99Å; D625-A628 PolarHBondContact N-O 3.13Å; D625-A628 CarbonylContact O-C 3.59Å; D625-A628 PolarHBondContact O-N 3.23Å |
| 629 | I | 91.1 | Very high | 87.8 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.5 | -177.9 | -56.6 | 168 | 0 | 0 | 0 | 108.5 | L537 L541 L599 R603 C604 K605 V622 D625 V631 | L537-I629 HydrophobicContact CD1-CD1 3.75Å; L537-I629 HydrophobicContact CD2-CD1 3.45Å; L537-I629 VanDerWaalsContact CD2-CD1 3.45Å; L537-I629 HydrophobicContact CG-CD1 4.17Å; L541-I629 HydrophobicContact CD1-CD1 4.48Å; L541-I629 HydrophobicContact CD1-CG2 4.12Å; L599-I629 HydrophobicContact CD2-CD1 3.76Å; R603-I629 PolarHBondContact O-N 2.95Å; C604-I629 WeakPolarHBondContact CA-O 3.42Å; C604-I629 HydrophobicContact CB-CB 4.43Å; K605-I629 PolarHBondContact N-O 2.78Å; V622-I629 HydrophobicContact CG1-CG2 4.14Å; D625-I629 WeakPolarHBondContact O-CG1 3.4Å; I629-V631 HydrophobicContact CG2-CG2 4.13Å |
| 630 | K | 90.7 | Very high | 88.4 | Confident | 75 Ų | 75 | 29 Ų | 29 | 33% | 0.326 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.4 | -179.6 | -67.8 | -179.4 | -169.3 | 173.7 | 0 | 108.3 | K605 E623 W652 | K605-K630 HydrophobicContact CG-CG 4.16Å; K605-K630 WeakPolarHBondContact O-CA 3.24Å; E623-K630 HydrophobicContact CB-CB 4.27Å; E623-K630 PolarHBondContact N-O 3.25Å; E623-K630 PolarHBondContact O-N 3.28Å; K630-W652 HydrophobicContact CB-CH2 3.59Å; K630-W652 HydrophobicContact CB-CZ2 4.44Å; K630-W652 HydrophobicContact CB-CZ3 3.82Å; K630-W652 HydrophobicContact CD-CH2 4.05Å; K630-W652 HydrophobicContact CD-CZ2 4.08Å; K630-W652 HydrophobicContact CG-CH2 3.96Å; K630-W652 HydrophobicContact CG-CZ2 4.4Å; K630-W652 HydrophobicContact CG-CZ3 4.22Å |
| 631 | V | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.9 | -179.9 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | L541 V545 K605 F606 R607 V621 V622 I629 L633 | L541-V631 HydrophobicContact CD2-CG2 4.3Å; V545-V631 HydrophobicContact CG2-CG1 3.88Å; K605-V631 PolarHBondContact O-N 2.74Å; F606-V631 CarbonylContact C-O 3.59Å; F606-V631 VanDerWaalsContact CA-O 3.22Å; F606-V631 WeakPolarHBondContact CA-O 3.38Å; F606-V631 HydrophobicContact CD1-CB 3.54Å; F606-V631 HydrophobicContact CD1-CG1 3.83Å; F606-V631 HydrophobicContact CD1-CG2 4.2Å; F606-V631 HydrophobicContact CE1-CB 3.65Å; F606-V631 HydrophobicContact CE1-CG1 3.87Å; F606-V631 HydrophobicContact CE1-CG2 3.82Å; F606-V631 HydrophobicContact CG-CB 4.29Å; F606-V631 HydrophobicContact CZ-CB 4.48Å; F606-V631 HydrophobicContact CZ-CG2 4.26Å; R607-V631 PolarHBondContact N-O 3.48Å; V621-V631 CarbonylContact O-C 3.45Å; V621-V631 WeakPolarHBondContact O-CA 3.22Å; V622-V631 HydrophobicContact CG1-CG2 4.48Å; V622-V631 HydrophobicContact CG2-CG1 4.36Å; V622-V631 HydrophobicContact CG2-CG2 4.35Å; I629-V631 HydrophobicContact CG2-CG2 4.13Å; V631-L633 HydrophobicContact CG1-CD2 3.7Å; V631-L633 HydrophobicContact CG1-CG 4.37Å |
| 632 | T | 90.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.9 | 177.5 | -54 | 0 | 0 | 0 | 0 | 109 | R607 V609 P620 V621 | R607-T632 HydrophobicContact CG-CG2 3.98Å; R607-T632 PolarHBondContact NE-OG1 2.86Å; R607-T632 PolarHBondContact NH2-OG1 3.37Å; R607-T632 WeakPolarHBondContact O-CA 3.23Å; V609-T632 HydrophobicContact CB-CG2 4.16Å; V609-T632 HydrophobicContact CG1-CG2 3.45Å; V609-T632 VanDerWaalsContact CG1-CG2 3.45Å; V609-T632 HydrophobicContact CG2-CG2 3.6Å; P620-T632 CarbonylContact C-O 3.46Å; P620-T632 WeakPolarHBondContact CA-O 3.34Å; P620-T632 WeakPolarHBondContact CB-O 3.35Å; V621-T632 PolarHBondContact N-O 3.35Å; V621-T632 PolarHBondContact O-N 3.13Å |
| 633 | L | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.5 | -176 | -56.1 | -178.5 | 0 | 0 | 0 | 111.2 | V545 L548 L549 L552 F606 R607 L608 V609 P620 V631 | V545-L633 HydrophobicContact CG1-CD2 3.52Å; V545-L633 HydrophobicContact CG2-CD2 4.33Å; L548-L633 HydrophobicContact CB-CD1 3.63Å; L548-L633 HydrophobicContact CD1-CD1 3.73Å; L548-L633 HydrophobicContact CG-CD1 4.35Å; L549-L633 HydrophobicContact CD2-CB 4.35Å; L549-L633 HydrophobicContact CD2-CD2 4.36Å; L552-L633 HydrophobicContact CD1-CB 4.01Å; L552-L633 HydrophobicContact CD1-CD1 4.15Å; F606-L633 HydrophobicContact CD1-CD1 4.17Å; F606-L633 HydrophobicContact CD1-CG 4.48Å; R607-L633 PolarHBondContact O-N 3.25Å; L608-L633 WeakPolarHBondContact CA-O 3.41Å; L608-L633 HydrophobicContact CD2-CB 3.94Å; L608-L633 HydrophobicContact CD2-CD1 4.37Å; V609-L633 PolarHBondContact N-O 3.22Å; P620-L633 HydrophobicContact CB-CD2 3.73Å; V631-L633 HydrophobicContact CG1-CD2 3.7Å; V631-L633 HydrophobicContact CG1-CG 4.37Å |
| 634 | P | 89.5 | Confident | 90.2 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 8% | 0.078 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 139.3 | 174.1 | 31.2 | -35.5 | 0 | 0 | 0 | 111.7 | L549 W553 V609 M611 C618 | L549-P634 HydrophobicContact CD2-CG 4.45Å; W553-P634 PolarHBondContact NE1-O 3.24Å; V609-P634 WeakPolarHBondContact O-CA 3.38Å; M611-P634 HydrophobicContact CB-CB 4.27Å; M611-P634 HydrophobicContact SD-CB 4.07Å; C618-P634 HydrophobicContact CB-CG 4.46Å; C618-P634 VanDerWaalsContact SG-CG 3.55Å |
| 635 | V | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.6 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | L552 L608 V609 M611 R639 W640 L643 | L552-V635 HydrophobicContact CD1-CG2 4.17Å; L552-V635 HydrophobicContact CD2-CG1 4.44Å; L552-V635 HydrophobicContact CD2-CG2 3.94Å; L608-V635 HydrophobicContact CB-CG2 3.83Å; L608-V635 HydrophobicContact CD1-CG2 4.05Å; L608-V635 HydrophobicContact CD2-CG2 4.18Å; L608-V635 HydrophobicContact CG-CG2 4.23Å; V609-V635 PolarHBondContact O-N 2.72Å; M611-V635 WeakPolarHBondContact CB-O 3.43Å; M611-V635 PolarHBondContact N-O 3.22Å; V635-R639 HydrophobicContact CG1-CB 4.07Å; V635-W640 HydrophobicContact CB-CE3 4.04Å; V635-W640 HydrophobicContact CB-CZ3 4.47Å; V635-W640 HydrophobicContact CG2-CE3 4.35Å; V635-W640 HydrophobicContact CG2-CZ3 4.35Å; V635-L643 HydrophobicContact CG1-CD1 4.18Å; V635-L643 HydrophobicContact CG2-CD1 4.31Å |
| 636 | P | 88.9 | Confident | 91 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | trans | -54.5 | 142.3 | 174 | -22.8 | 32.6 | 0 | 0 | 0 | 112.3 | W553 E638 R639 W640 | W553-P636 HydrophobicContact CD2-CG 3.51Å; W553-P636 HydrophobicContact CE3-CG 3.56Å; W553-P636 HydrophobicContact CG-CG 4Å; W553-P636 HydrophobicContact CH2-CG 3.99Å; W553-P636 HydrophobicContact CZ2-CG 3.99Å; W553-P636 HydrophobicContact CZ3-CB 4.46Å; W553-P636 HydrophobicContact CZ3-CG 3.78Å; P636-E638 HydrophobicContact CB-CG 4.29Å; P636-E638 VanDerWaalsContact CB-OE1 3.22Å; P636-E638 WeakPolarHBondContact CB-OE1 3.44Å; P636-E638 WeakPolarHBondContact CB-OE2 3.46Å; P636-E638 PolarHBondContact O-N 2.93Å; P636-R639 PolarHBondContact O-N 3.13Å; P636-W640 PolarHBondContact O-N 3.37Å; P636-W640 VanDerWaalsContact O-N 3.1Å | ||
| 637 | S | 87.7 | Confident | 91.4 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 22% | 0.217 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -33 | -174.9 | -95.1 | 0 | 0 | 0 | 0 | 113.1 | R610 M611 R639 W640 | R610-S637 PolarHBondContact NE-OG 2.69Å; R610-S637 PolarHBondContact NH2-O 3.47Å; M611-S637 PolarHBondContact O-OG 2.94Å; S637-R639 VanDerWaalsContact C-N 3.31Å; S637-W640 PolarHBondContact O-N 3.31Å |
| 638 | E | 87.1 | Confident | 91.7 | Very high | 107 Ų | 107 | 37.3 Ų | 37.3 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -72.3 | -21.2 | 178 | 65.4 | -83.6 | -164.7 | 0 | 0 | 113.4 | H188 P636 | H188-E638 IonicContact CE1-OE1 2.91Å; H188-E638 PolarHBondContact CE1-OE1 3.25Å; H188-E638 IonicContact NE2-OE1 3.59Å; H188-E638 PolarHBondContact NE2-OE1 2.93Å; P636-E638 HydrophobicContact CB-CG 4.29Å; P636-E638 VanDerWaalsContact CB-OE1 3.22Å; P636-E638 WeakPolarHBondContact CB-OE1 3.44Å; P636-E638 WeakPolarHBondContact CB-OE2 3.46Å; P636-E638 PolarHBondContact O-N 2.93Å |
| 639 | R | 91 | Very high | 91.7 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -98.2 | -14.5 | 175.7 | -69.1 | -167.6 | 170.8 | -145.3 | -9 | 113.5 | L552 A555 D557 F560 V635 P636 S637 D641 I642 | L552-R639 WeakPolarHBondContact O-CD 3.46Å; A555-R639 PolarHBondContact O-NH1 2.94Å; A555-R639 PolarHBondContact O-NH2 3.45Å; D557-R639 IonicContact OD1-NH2 3.45Å; D557-R639 PolarHBondContact OD1-NH2 3.24Å; F560-R639 VanDerWaalsContact CD2-NH1 3.34Å; F560-R639 HydrophobicContact CE1-CB 4.35Å; F560-R639 HydrophobicContact CE2-CB 4.17Å; F560-R639 HydrophobicContact CZ-CB 3.8Å; F560-R639 HydrophobicContact CZ-CG 4.47Å; V635-R639 HydrophobicContact CG1-CB 4.07Å; P636-R639 PolarHBondContact O-N 3.13Å; S637-R639 VanDerWaalsContact C-N 3.31Å; R639-D641 VanDerWaalsContact C-N 3.34Å; R639-D641 PolarHBondContact O-N 3.16Å; R639-I642 WeakPolarHBondContact O-CG1 3.25Å; R639-I642 PolarHBondContact O-N 3.39Å |
| 640 | W | 93.2 | Very high | 91.7 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 11% | 0.114 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | -178.3 | -176.3 | -93.8 | 0 | 0 | 0 | 112.2 | L608 R610 V635 P636 S637 I642 L643 Q648 | L608-W640 HydrophobicContact CB-CZ3 4.18Å; R610-W640 HydrophobicContact CB-CD2 3.54Å; R610-W640 HydrophobicContact CB-CE3 3.71Å; R610-W640 HydrophobicContact CB-CG 3.97Å; R610-W640 HydrophobicContact CB-CH2 4.36Å; R610-W640 HydrophobicContact CB-CZ2 4.21Å; R610-W640 HydrophobicContact CB-CZ3 4.14Å; R610-W640 HydrophobicContact CG-CB 3.94Å; R610-W640 HydrophobicContact CG-CD2 3.82Å; R610-W640 HydrophobicContact CG-CE3 4.25Å; R610-W640 HydrophobicContact CG-CG 3.67Å; V635-W640 HydrophobicContact CB-CE3 4.04Å; V635-W640 HydrophobicContact CB-CZ3 4.47Å; V635-W640 HydrophobicContact CG2-CE3 4.35Å; V635-W640 HydrophobicContact CG2-CZ3 4.35Å; P636-W640 PolarHBondContact O-N 3.37Å; P636-W640 VanDerWaalsContact O-N 3.1Å; S637-W640 PolarHBondContact O-N 3.31Å; W640-I642 PolarHBondContact O-N 3.38Å; W640-L643 HydrophobicContact CD2-CD1 4.33Å; W640-L643 HydrophobicContact CE3-CD1 3.76Å; W640-L643 HydrophobicContact CZ3-CD1 4.07Å; W640-L643 WeakPolarHBondContact O-CB 3.24Å; W640-L643 PolarHBondContact O-N 3.5Å; W640-Q648 HydrophobicContact CZ2-CB 4.22Å; W640-Q648 WeakPolarHBondContact CZ2-O 3.08Å; W640-Q648 PolarHBondContact O-NE2 2.84Å |
| 641 | D | 91.8 | Very high | 91.8 | Very high | 96 Ų | 96 | 44 Ų | 44 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16 | -170.3 | -56.7 | -41.9 | 0 | 0 | 0 | 112.8 | R610 R639 Q648 | R610-D641 IonicContact CZ-OD1 3.21Å; R610-D641 IonicContact CZ-OD2 3.84Å; R610-D641 IonicContact NH1-OD1 2.92Å; R610-D641 PolarHBondContact NH1-OD1 3.4Å; R610-D641 IonicContact NH1-OD2 2.96Å; R610-D641 IonicContact NH2-OD1 2.61Å; R610-D641 PolarHBondContact NH2-OD1 2.58Å; R610-D641 IonicContact NH2-OD2 3.43Å; R610-D641 PolarHBondContact NH2-OD2 3.26Å; R639-D641 VanDerWaalsContact C-N 3.34Å; R639-D641 PolarHBondContact O-N 3.16Å; D641-Q648 PolarHBondContact O-NE2 2.92Å |
| 642 | I | 93.3 | Very high | 92.1 | Very high | 75 Ų | 75 | 48.2 Ų | 48.2 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -0.8 | 176.4 | 60.5 | 161.9 | 0 | 0 | 0 | 113.8 | F560 L561 R639 W640 | F560-I642 HydrophobicContact CD1-CD1 3.71Å; F560-I642 HydrophobicContact CD1-CG1 4.34Å; F560-I642 HydrophobicContact CE1-CD1 3.63Å; F560-I642 HydrophobicContact CE1-CG1 3.77Å; L561-I642 HydrophobicContact CD2-CB 4.24Å; L561-I642 HydrophobicContact CD2-CD1 4.32Å; L561-I642 VanDerWaalsContact CD2-O 3.32Å; L561-I642 WeakPolarHBondContact CD2-O 3.43Å; R639-I642 WeakPolarHBondContact O-CG1 3.25Å; R639-I642 PolarHBondContact O-N 3.39Å; W640-I642 PolarHBondContact O-N 3.38Å |
| 643 | L | 94.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -68 | 155.2 | 175.2 | -76 | 171.6 | 0 | 0 | 0 | 111.7 | F560 T564 L608 V635 W640 Q648 | F560-L643 HydrophobicContact CE1-CD2 3.95Å; F560-L643 HydrophobicContact CE1-CG 4.45Å; F560-L643 HydrophobicContact CE2-CD2 4.37Å; F560-L643 HydrophobicContact CZ-CD2 3.47Å; F560-L643 VanDerWaalsContact CZ-CD2 3.47Å; F560-L643 HydrophobicContact CZ-CG 4.04Å; T564-L643 HydrophobicContact CG2-CD2 3.65Å; L608-L643 HydrophobicContact CD1-CD1 3.98Å; L608-L643 HydrophobicContact CD1-CD2 4.01Å; V635-L643 HydrophobicContact CG1-CD1 4.18Å; V635-L643 HydrophobicContact CG2-CD1 4.31Å; W640-L643 HydrophobicContact CD2-CD1 4.33Å; W640-L643 HydrophobicContact CE3-CD1 3.76Å; W640-L643 HydrophobicContact CZ3-CD1 4.07Å; W640-L643 WeakPolarHBondContact O-CB 3.24Å; W640-L643 PolarHBondContact O-N 3.5Å; L643-Q648 HydrophobicContact CB-CG 3.77Å; L643-Q648 PolarHBondContact O-NE2 2.88Å |
| 644 | P | 93.4 | Very high | 92.7 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | trans | -52.9 | 140.5 | 164.1 | -25.2 | 33.5 | 0 | 0 | 0 | 112.5 | S646 L647 Q648 | P644-S646 VanDerWaalsContact C-N 3.29Å; P644-S646 PolarHBondContact O-N 3.36Å; P644-L647 HydrophobicContact CB-CG 4.48Å; P644-L647 HydrophobicContact CG-CD1 4.28Å; P644-L647 PolarHBondContact O-N 3.1Å; P644-Q648 PolarHBondContact O-N 3Å; P644-Q648 VanDerWaalsContact O-N 3.1Å | ||
| 645 | Q | 93.9 | Very high | 93.1 | Very high | 156 Ų | 156 | 52.4 Ų | 52.4 | 73% | 0.729 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -57.7 | -38.1 | -175.8 | -71.7 | -176.4 | -8.8 | 0 | 0 | 113.5 | L647 Q648 N649 | Q645-L647 VanDerWaalsContact C-N 3.32Å; Q645-L647 PolarHBondContact O-N 3.26Å; Q645-Q648 PolarHBondContact O-N 3.01Å; Q645-N649 WeakPolarHBondContact O-CB 3.34Å; Q645-N649 PolarHBondContact O-N 3.46Å; Q645-N649 PolarHBondContact O-ND2 3.43Å; Q645-N649 PolarHBondContact O-OD1 3.45Å |
| 646 | S | 94.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -53.2 | -47.4 | 173.7 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | S568 P644 N649 E651 | S568-S646 WeakPolarHBondContact CB-OG 3.26Å; S568-S646 PolarHBondContact OG-OG 3.18Å; P644-S646 VanDerWaalsContact C-N 3.29Å; P644-S646 PolarHBondContact O-N 3.36Å; S646-N649 PolarHBondContact O-N 3.08Å; S646-E651 WeakPolarHBondContact CB-OE2 3.32Å; S646-E651 VanDerWaalsContact O-CB 3.26Å; S646-E651 WeakPolarHBondContact O-CB 3.46Å; S646-E651 VanDerWaalsContact O-CG 3.31Å; S646-E651 WeakPolarHBondContact O-CG 2.9Å; S646-E651 PolarHBondContact O-N 3.24Å |
| 647 | L | 95.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.9 | -36 | 179.6 | -61.8 | -176.7 | 0 | 0 | 0 | 111.7 | T564 W567 L608 P644 Q645 N649 G650 F653 | T564-L647 WeakPolarHBondContact O-CD1 3.38Å; W567-L647 HydrophobicContact CB-CD1 4.42Å; L608-L647 HydrophobicContact CD1-CB 4.21Å; L608-L647 HydrophobicContact CD1-CD1 4.01Å; P644-L647 HydrophobicContact CB-CG 4.48Å; P644-L647 HydrophobicContact CG-CD1 4.28Å; P644-L647 PolarHBondContact O-N 3.1Å; Q645-L647 VanDerWaalsContact C-N 3.32Å; Q645-L647 PolarHBondContact O-N 3.26Å; L647-N649 VanDerWaalsContact C-N 3.28Å; L647-N649 PolarHBondContact O-N 3.42Å; L647-G650 PolarHBondContact O-N 3.15Å; L647-G650 VanDerWaalsContact O-N 3.14Å; L647-F653 HydrophobicContact CD2-CD1 3.89Å |
| 648 | Q | 94 | Very high | 94.4 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 28% | 0.276 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.4 | -35 | 172.7 | -63.6 | -171.1 | 37.7 | 0 | 0 | 112.1 | W640 D641 L643 P644 Q645 G650 | W640-Q648 HydrophobicContact CZ2-CB 4.22Å; W640-Q648 WeakPolarHBondContact CZ2-O 3.08Å; W640-Q648 PolarHBondContact O-NE2 2.84Å; D641-Q648 PolarHBondContact O-NE2 2.92Å; L643-Q648 HydrophobicContact CB-CG 3.77Å; L643-Q648 PolarHBondContact O-NE2 2.88Å; P644-Q648 PolarHBondContact O-N 3Å; P644-Q648 VanDerWaalsContact O-N 3.1Å; Q645-Q648 PolarHBondContact O-N 3.01Å; Q648-G650 PolarHBondContact O-N 3.32Å |
| 649 | N | 90.5 | Very high | 94.9 | Very high | 125 Ų | 125 | 48.7 Ų | 48.7 | 67% | 0.668 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 0 | 176.3 | -65.8 | -21.2 | 0 | 0 | 0 | 113.4 | Q645 S646 L647 | Q645-N649 WeakPolarHBondContact O-CB 3.34Å; Q645-N649 PolarHBondContact O-N 3.46Å; Q645-N649 PolarHBondContact O-ND2 3.43Å; Q645-N649 PolarHBondContact O-OD1 3.45Å; S646-N649 PolarHBondContact O-N 3.08Å; L647-N649 VanDerWaalsContact C-N 3.28Å; L647-N649 PolarHBondContact O-N 3.42Å |
| 650 | G | 90.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 21.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L647 Q648 | L647-G650 PolarHBondContact O-N 3.15Å; L647-G650 VanDerWaalsContact O-N 3.14Å; Q648-G650 PolarHBondContact O-N 3.32Å |
| 651 | E | 94.7 | Very high | 95.5 | Very high | 106 Ų | 106 | 45.9 Ų | 45.9 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | trans | -62.3 | 150 | 174.4 | -69.6 | -177 | -159.7 | 0 | 0 | 112.1 | S646 | S646-E651 WeakPolarHBondContact CB-OE2 3.32Å; S646-E651 VanDerWaalsContact O-CB 3.26Å; S646-E651 WeakPolarHBondContact O-CB 3.46Å; S646-E651 VanDerWaalsContact O-CG 3.31Å; S646-E651 WeakPolarHBondContact O-CG 2.9Å; S646-E651 PolarHBondContact O-N 3.24Å | ||
| 652 | W | 96.7 | Very high | 95.8 | Very high | 87 Ų | 87 | 41.4 Ų | 41.4 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | trans | -90.3 | 133.3 | 178.9 | -66.8 | 90.1 | 0 | 0 | 0 | 110.7 | K605 F606 R607 K630 | K605-W652 HydrophobicContact CB-CB 4.41Å; K605-W652 HydrophobicContact CB-CE3 3.95Å; K605-W652 HydrophobicContact CD-CB 4Å; K605-W652 HydrophobicContact CD-CD2 3.72Å; K605-W652 HydrophobicContact CD-CE3 3.8Å; K605-W652 HydrophobicContact CD-CG 3.81Å; K605-W652 HydrophobicContact CG-CD2 4Å; K605-W652 HydrophobicContact CG-CE3 3.51Å; K605-W652 HydrophobicContact CG-CG 4.46Å; K605-W652 HydrophobicContact CG-CZ3 4.06Å; K605-W652 WeakPolarHBondContact O-CZ3 3.31Å; F606-W652 VanDerWaalsContact C-CE3 3.44Å; F606-W652 CarbonylContact O-C 3.54Å; F606-W652 VanDerWaalsContact O-CA 3.28Å; F606-W652 WeakPolarHBondContact O-CA 3.19Å; R607-W652 HydrophobicContact CB-CD2 4.03Å; R607-W652 HydrophobicContact CB-CE3 3.79Å; R607-W652 HydrophobicContact CB-CH2 4.2Å; R607-W652 HydrophobicContact CB-CZ2 4.44Å; R607-W652 HydrophobicContact CB-CZ3 3.88Å; R607-W652 HydrophobicContact CG-CD2 4.48Å; R607-W652 HydrophobicContact CG-CE3 4.1Å; R607-W652 HydrophobicContact CG-CH2 3.6Å; R607-W652 HydrophobicContact CG-CZ2 4.03Å; R607-W652 HydrophobicContact CG-CZ3 3.65Å; K630-W652 HydrophobicContact CB-CH2 3.59Å; K630-W652 HydrophobicContact CB-CZ2 4.44Å; K630-W652 HydrophobicContact CB-CZ3 3.82Å; K630-W652 HydrophobicContact CD-CH2 4.05Å; K630-W652 HydrophobicContact CD-CZ2 4.08Å; K630-W652 HydrophobicContact CG-CH2 3.96Å; K630-W652 HydrophobicContact CG-CZ2 4.4Å; K630-W652 HydrophobicContact CG-CZ3 4.22Å | ||
| 653 | F | 97.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -116.9 | 161.4 | 171.1 | 67.6 | -84.3 | 0 | 0 | 0 | 111.9 | W567 A572 K605 F606 L608 L647 V655 | W567-F653 HydrophobicContact CB-CD2 4.07Å; W567-F653 HydrophobicContact CB-CE2 4.31Å; W567-F653 HydrophobicContact CB-CG 4.36Å; W567-F653 HydrophobicContact CD2-CE2 4.06Å; W567-F653 HydrophobicContact CD2-CZ 4.32Å; W567-F653 HydrophobicContact CE3-CE1 4.32Å; W567-F653 AromaticContact CE3-CE2 3.86Å; W567-F653 HydrophobicContact CE3-CE2 3.86Å; W567-F653 AromaticContact CE3-CZ 3.64Å; W567-F653 HydrophobicContact CE3-CZ 3.64Å; W567-F653 HydrophobicContact CG-CD2 4.42Å; W567-F653 HydrophobicContact CG-CE2 4.27Å; W567-F653 HydrophobicContact CZ3-CZ 4.08Å; W567-F653 VanDerWaalsContact O-CB 3.29Å; W567-F653 WeakPolarHBondContact O-CB 3.48Å; A572-F653 HydrophobicContact CB-CD2 4.41Å; A572-F653 HydrophobicContact CB-CE2 4.16Å; K605-F653 WeakPolarHBondContact CA-O 3.24Å; F606-F653 HydrophobicContact CB-CD1 4.17Å; F606-F653 HydrophobicContact CB-CD2 4.22Å; F606-F653 HydrophobicContact CB-CE1 3.68Å; F606-F653 HydrophobicContact CB-CE2 3.75Å; F606-F653 HydrophobicContact CB-CG 4.42Å; F606-F653 HydrophobicContact CB-CZ 3.45Å; F606-F653 VanDerWaalsContact CB-CZ 3.45Å; F606-F653 HydrophobicContact CG-CE2 4.4Å; F606-F653 HydrophobicContact CG-CZ 4.4Å; F606-F653 PolarHBondContact N-O 3.39Å; F606-F653 WeakPolarHBondContact O-CD1 3.49Å; F606-F653 PolarHBondContact O-N 2.91Å; L608-F653 HydrophobicContact CD2-CE1 3.9Å; L608-F653 HydrophobicContact CD2-CZ 4.22Å; L608-F653 HydrophobicContact CG-CE1 4.03Å; L647-F653 HydrophobicContact CD2-CD1 3.89Å; F653-V655 HydrophobicContact CE2-CG2 4.43Å |
| 654 | Q | 97.2 | Very high | 95.6 | Very high | 97 Ų | 97 | 37.6 Ų | 37.6 | 45% | 0.453 | 19% | 0.189 | S | C | . | . | trans | -100.9 | 158 | 177.8 | -69.7 | -174.6 | -20.8 | 0 | 0 | 111.5 | G571 A572 | G571-Q654 CarbonylContact C-O 3.55Å; G571-Q654 WeakPolarHBondContact CA-O 3.15Å; A572-Q654 PolarHBondContact N-O 3.49Å | ||
| 655 | V | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117 | 170 | -179.7 | 0 | 0 | 0 | 0 | 109 | I544 L548 A572 V574 F606 F653 V657 | I544-V655 HydrophobicContact CG2-CG1 4.02Å; I544-V655 HydrophobicContact CG2-CG2 4.41Å; L548-V655 HydrophobicContact CD1-CG2 3.86Å; L548-V655 HydrophobicContact CD2-CG2 4.48Å; A572-V655 HydrophobicContact CB-CG1 4.48Å; A572-V655 HydrophobicContact CB-CG2 4.09Å; A572-V655 CarbonylContact O-C 3.51Å; A572-V655 WeakPolarHBondContact O-CA 3.43Å; V574-V655 HydrophobicContact CB-CG1 4.36Å; V574-V655 HydrophobicContact CG2-CG1 3.83Å; F606-V655 HydrophobicContact CD2-CB 4.32Å; F606-V655 HydrophobicContact CD2-CG2 3.36Å; F606-V655 HydrophobicContact CE1-CG2 4.48Å; F606-V655 HydrophobicContact CE2-CB 3.9Å; F606-V655 HydrophobicContact CE2-CG2 3.26Å; F606-V655 HydrophobicContact CG-CG2 4.07Å; F606-V655 HydrophobicContact CZ-CG2 3.88Å; F653-V655 HydrophobicContact CE2-CG2 4.43Å; V655-V657 HydrophobicContact CG1-CG2 3.87Å; V655-V657 PolarHBondContact O-N 3.36Å |
| 656 | H | 97.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 32.9 Ų | 32.9 | 21% | 0.213 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 88.2 | 174.5 | -65.4 | -76.5 | 0 | 0 | 0 | 110.2 | S570 A572 L573 V574 I658 Y694 | S570-H656 PolarHBondContact O-CD2 3.3Å; S570-H656 VanDerWaalsContact O-CD2 3.23Å; S570-H656 PolarHBondContact O-NE2 3.34Å; A572-H656 PolarHBondContact O-N 2.86Å; L573-H656 HydrophobicContact CD1-CB 4.35Å; V574-H656 PolarHBondContact N-O 3.21Å; H656-I658 PolarHBondContact O-N 3.08Å; H656-Y694 HydrophobicContact CB-CD2 4.19Å; H656-Y694 AromaticContact CD2-CD2 3.75Å; H656-Y694 AromaticContact CD2-CE2 3.8Å; H656-Y694 AromaticContact CG-CD2 3.96Å |
| 657 | V | 98.4 | Very high | 95 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.3 | 170.9 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | I544 V574 L576 A597 L600 V655 | I544-V657 HydrophobicContact CD1-CG2 3.88Å; I544-V657 HydrophobicContact CG1-CG2 4.35Å; V574-V657 WeakPolarHBondContact O-CA 3.5Å; L576-V657 HydrophobicContact CB-CG1 4.14Å; L576-V657 HydrophobicContact CD2-CG1 4.37Å; A597-V657 HydrophobicContact CB-CG1 4.13Å; L600-V657 HydrophobicContact CB-CB 4.5Å; L600-V657 HydrophobicContact CB-CG2 3.93Å; L600-V657 HydrophobicContact CD1-CG2 4.02Å; V655-V657 HydrophobicContact CG1-CG2 3.87Å; V655-V657 PolarHBondContact O-N 3.36Å |
| 658 | I | 98.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.5 | 178.3 | -56.9 | -171.5 | 0 | 0 | 0 | 108.7 | L573 V574 L576 H656 A687 L690 L691 | L573-I658 HydrophobicContact CD1-CD1 3.61Å; L573-I658 HydrophobicContact CD1-CG1 3.99Å; V574-I658 PolarHBondContact O-N 3.21Å; L576-I658 PolarHBondContact N-O 3.35Å; H656-I658 PolarHBondContact O-N 3.08Å; I658-A687 HydrophobicContact CG2-CB 3.7Å; I658-L690 HydrophobicContact CD1-CB 3.96Å; I658-L690 HydrophobicContact CG1-CB 4.19Å; I658-L691 HydrophobicContact CD1-CB 3.84Å; I658-L691 HydrophobicContact CD1-CD1 4.05Å |
| 659 | L | 98.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 7% | 0.073 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 121.5 | -179.5 | 173.7 | 65.4 | 0 | 0 | 0 | 110.6 | L576 L593 I594 A597 I683 A687 | L576-L659 HydrophobicContact CB-CD1 4.41Å; L576-L659 HydrophobicContact CD2-CD1 3.89Å; L576-L659 HydrophobicContact CG-CD1 3.86Å; L576-L659 CarbonylContact O-C 3.29Å; L576-L659 WeakPolarHBondContact O-CA 3.5Å; L593-L659 HydrophobicContact CB-CD1 4.38Å; L593-L659 HydrophobicContact CB-CD2 3.95Å; L593-L659 HydrophobicContact CD1-CD1 4.39Å; I594-L659 HydrophobicContact CG1-CD2 3.84Å; A597-L659 HydrophobicContact CB-CB 4.02Å; L659-I683 HydrophobicContact CD2-CG2 4.27Å; L659-I683 HydrophobicContact CG-CG2 3.96Å; L659-I683 VanDerWaalsContact O-CG2 3.26Å; L659-I683 WeakPolarHBondContact O-CG2 3.36Å; L659-A687 VanDerWaalsContact O-CB 3.25Å; L659-A687 WeakPolarHBondContact O-CB 3.3Å |
| 660 | W | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 146.8 | 167.5 | -62.6 | 89.1 | 0 | 0 | 0 | 109.5 | S575 L576 H577 S578 N684 A687 L691 L717 L731 A735 | S575-W660 VanDerWaalsContact OG-CD1 3.23Å; S575-W660 PolarHBondContact OG-NE1 2.79Å; L576-W660 PolarHBondContact O-N 2.72Å; H577-W660 AromaticContact CE1-CD1 3.53Å; H577-W660 AromaticContact CE1-CG 3.83Å; H577-W660 AromaticContact ND1-CD1 3.95Å; H577-W660 AromaticContact ND1-CG 3.91Å; S578-W660 PolarHBondContact N-O 3.49Å; W660-N684 HydrophobicContact CE3-CB 4.16Å; W660-N684 HydrophobicContact CZ3-CB 4.26Å; W660-A687 HydrophobicContact CD2-CB 3.59Å; W660-A687 HydrophobicContact CE3-CB 3.75Å; W660-A687 HydrophobicContact CG-CB 4.18Å; W660-A687 HydrophobicContact CH2-CB 3.93Å; W660-A687 HydrophobicContact CZ2-CB 3.77Å; W660-A687 HydrophobicContact CZ3-CB 3.92Å; W660-L691 HydrophobicContact CZ2-CB 4.4Å; W660-L691 HydrophobicContact CZ2-CD2 3.87Å; W660-L717 HydrophobicContact CH2-CD1 4.29Å; W660-L717 HydrophobicContact CH2-CD2 3.91Å; W660-L717 HydrophobicContact CH2-CG 4.34Å; W660-L717 HydrophobicContact CZ2-CD2 4.19Å; W660-L731 HydrophobicContact CE3-CD1 4.4Å; W660-L731 HydrophobicContact CE3-CD2 4.37Å; W660-L731 HydrophobicContact CE3-CG 4.34Å; W660-L731 HydrophobicContact CZ3-CD1 3.94Å; W660-L731 HydrophobicContact CZ3-CD2 4.45Å; W660-L731 HydrophobicContact CZ3-CG 4.35Å; W660-A735 HydrophobicContact CD2-CB 3.96Å; W660-A735 HydrophobicContact CE3-CB 4.44Å; W660-A735 HydrophobicContact CG-CB 4.36Å; W660-A735 HydrophobicContact CH2-CB 4.48Å; W660-A735 HydrophobicContact CZ2-CB 4Å |
| 661 | N | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.7 | 173.3 | -171.9 | 70 | 0 | 0 | 0 | 112.1 | S578 L580 L590 E680 I683 N684 | S578-N661 VanDerWaalsContact CB-OD1 3.27Å; S578-N661 WeakPolarHBondContact CB-OD1 3.42Å; S578-N661 WeakPolarHBondContact O-CA 3.28Å; S578-N661 PolarHBondContact O-OD1 3.09Å; S578-N661 VanDerWaalsContact O-OD1 3.14Å; S578-N661 PolarHBondContact OG-OD1 3.12Å; L580-N661 PolarHBondContact O-ND2 2.81Å; L580-N661 VanDerWaalsContact O-ND2 3.12Å; L580-N661 PolarHBondContact O-OD1 2.89Å; L590-N661 HydrophobicContact CD2-CB 4.2Å; L590-N661 VanDerWaalsContact CD2-OD1 3.31Å; L590-N661 WeakPolarHBondContact CD2-OD1 3.45Å; N661-E680 PolarHBondContact ND2-OE2 2.81Å; N661-E680 VanDerWaalsContact O-CG 3.26Å; N661-E680 WeakPolarHBondContact O-CG 3.43Å; N661-I683 HydrophobicContact CB-CD1 4.01Å; N661-I683 HydrophobicContact CB-CG2 4.09Å; N661-N684 PolarHBondContact N-OD1 2.95Å; N661-N684 PolarHBondContact O-ND2 2.94Å; N661-N684 PolarHBondContact O-OD1 2.74Å |
| 662 | V | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | trans | -136.9 | 108.2 | 166.1 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | S578 F579 V664 V729 L731 T732 | S578-V662 PolarHBondContact O-N 3.11Å; F579-V662 VanDerWaalsContact CA-O 3.29Å; F579-V662 WeakPolarHBondContact CA-O 3.33Å; F579-V662 WeakPolarHBondContact CD1-O 3.46Å; V662-V664 HydrophobicContact CG1-CG2 4.22Å; V662-V664 PolarHBondContact O-N 2.9Å; V662-V729 HydrophobicContact CG1-CG1 4.2Å; V662-L731 HydrophobicContact CG2-CD2 4.45Å; V662-T732 WeakPolarHBondContact CG2-OG1 3.34Å | ||
| 663 | G | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -66.8 | 117.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L580 Q668 E680 | L580-G663 VanDerWaalsContact O-CA 3.24Å; L580-G663 WeakPolarHBondContact O-CA 3.22Å; G663-Q668 WeakPolarHBondContact O-CB 3.44Å; G663-Q668 VanDerWaalsContact O-CG 3.31Å; G663-Q668 WeakPolarHBondContact O-CG 3.2Å; G663-E680 PolarHBondContact N-OE2 2.75Å | ||
| 664 | V | 89.4 | Confident | 94.2 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | trans | -117.3 | 71.4 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 111 | F579 V662 V729 R756 V816 P817 Y820 | F579-V664 HydrophobicContact CB-CB 4.48Å; F579-V664 HydrophobicContact CD1-CB 4.34Å; F579-V664 HydrophobicContact CD1-CG2 3.69Å; F579-V664 HydrophobicContact CE1-CG2 4.32Å; F579-V664 PolarHBondContact O-N 2.99Å; V662-V664 HydrophobicContact CG1-CG2 4.22Å; V662-V664 PolarHBondContact O-N 2.9Å; V664-V729 HydrophobicContact CG2-CG1 3.83Å; V664-R756 WeakPolarHBondContact O-CD 3.32Å; V664-V816 HydrophobicContact CG1-CG1 4.12Å; V664-P817 HydrophobicContact CG1-CG 4.34Å; V664-Y820 HydrophobicContact CG1-CD2 4.21Å | ||
| 665 | N | 87.1 | Confident | 93.8 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -161.6 | 175.3 | 174.6 | -164.5 | 8.4 | 0 | 0 | 0 | 111.9 | D667 Q668 K727 | N665-D667 VanDerWaalsContact C-N 3.3Å; N665-D667 PolarHBondContact ND2-OD2 3.1Å; N665-D667 PolarHBondContact O-N 2.87Å; N665-Q668 PolarHBondContact O-N 3.49Å; N665-K727 PolarHBondContact O-NZ 3.46Å |
| 666 | H | 89 | Confident | 93.4 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 32% | 0.315 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.4 | -39 | 168.8 | 75.2 | -64.7 | 0 | 0 | 0 | 112.6 | Q668 S669 L670 F815 | H666-Q668 PolarHBondContact O-N 2.7Å; H666-S669 WeakPolarHBondContact O-CA 3.38Å; H666-S669 VanDerWaalsContact O-CB 3.31Å; H666-S669 WeakPolarHBondContact O-CB 3.3Å; H666-S669 PolarHBondContact O-N 3.36Å; H666-L670 PolarHBondContact O-N 3.15Å; H666-L670 VanDerWaalsContact O-N 3.16Å; H666-F815 HydrophobicContact CB-CB 4.27Å; H666-F815 HydrophobicContact CB-CD1 4.15Å; H666-F815 HydrophobicContact CB-CD2 3.97Å; H666-F815 HydrophobicContact CB-CE2 4.34Å; H666-F815 HydrophobicContact CB-CG 3.86Å |
| 667 | D | 90.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -32.6 | 176.8 | -67.3 | -44 | 0 | 0 | 0 | 112.6 | S581 F583 N665 S669 L670 A671 | S581-D667 VanDerWaalsContact OG-CB 3.27Å; S581-D667 WeakPolarHBondContact OG-CB 3.32Å; F583-D667 HydrophobicContact CB-CB 4.26Å; F583-D667 WeakPolarHBondContact CB-O 3.03Å; N665-D667 VanDerWaalsContact C-N 3.3Å; N665-D667 PolarHBondContact ND2-OD2 3.1Å; N665-D667 PolarHBondContact O-N 2.87Å; D667-S669 VanDerWaalsContact C-N 3.34Å; D667-L670 WeakPolarHBondContact O-CB 3.4Å; D667-L670 PolarHBondContact O-N 3.4Å; D667-L670 VanDerWaalsContact O-N 3.17Å; D667-A671 PolarHBondContact O-N 3Å |
| 668 | Q | 92.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 173.5 | -175.1 | 67 | 2.5 | 0 | 0 | 111.5 | G663 N665 H666 L670 A671 I672 E680 | G663-Q668 WeakPolarHBondContact O-CB 3.44Å; G663-Q668 VanDerWaalsContact O-CG 3.31Å; G663-Q668 WeakPolarHBondContact O-CG 3.2Å; N665-Q668 PolarHBondContact O-N 3.49Å; H666-Q668 PolarHBondContact O-N 2.7Å; Q668-L670 PolarHBondContact O-N 2.77Å; Q668-A671 WeakPolarHBondContact O-CB 3.48Å; Q668-A671 PolarHBondContact O-N 3.47Å; Q668-I672 HydrophobicContact CG-CD1 4.2Å; Q668-I672 WeakPolarHBondContact O-CD1 3.34Å; Q668-I672 VanDerWaalsContact O-CG1 3.26Å; Q668-I672 WeakPolarHBondContact O-CG1 3.06Å; Q668-I672 PolarHBondContact O-N 2.82Å; Q668-E680 PolarHBondContact NE2-OE2 2.88Å |
| 669 | S | 91.8 | Very high | 92.7 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.6 | -32.9 | 173.1 | -71.1 | 0 | 0 | 0 | 0 | 112 | H666 D667 K673 K727 | H666-S669 WeakPolarHBondContact O-CA 3.38Å; H666-S669 VanDerWaalsContact O-CB 3.31Å; H666-S669 WeakPolarHBondContact O-CB 3.3Å; H666-S669 PolarHBondContact O-N 3.36Å; D667-S669 VanDerWaalsContact C-N 3.34Å; S669-K673 WeakPolarHBondContact O-CB 3.46Å; S669-K673 PolarHBondContact O-N 3.08Å; S669-K673 VanDerWaalsContact O-N 3.12Å; S669-K727 WeakPolarHBondContact OG-CE 3.36Å; S669-K727 PolarHBondContact OG-NZ 2.98Å |
| 670 | L | 92.7 | Very high | 92.6 | Very high | 60 Ų | 60 | 41.9 Ų | 41.9 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.5 | -44.1 | 171.3 | -62.1 | 177.5 | 0 | 0 | 0 | 111.5 | F583 H666 D667 Q668 I672 K673 F674 | F583-L670 HydrophobicContact CD1-CB 3.81Å; F583-L670 HydrophobicContact CD1-CD1 4.14Å; F583-L670 HydrophobicContact CE1-CB 3.82Å; F583-L670 HydrophobicContact CE1-CD1 3.89Å; F583-L670 HydrophobicContact CG-CB 4.34Å; F583-L670 HydrophobicContact CZ-CB 4.32Å; H666-L670 PolarHBondContact O-N 3.15Å; H666-L670 VanDerWaalsContact O-N 3.16Å; D667-L670 WeakPolarHBondContact O-CB 3.4Å; D667-L670 PolarHBondContact O-N 3.4Å; D667-L670 VanDerWaalsContact O-N 3.17Å; Q668-L670 PolarHBondContact O-N 2.77Å; L670-I672 VanDerWaalsContact C-N 3.28Å; L670-I672 PolarHBondContact O-N 2.92Å; L670-K673 PolarHBondContact O-N 2.91Å; L670-K673 VanDerWaalsContact O-N 3.12Å; L670-F674 HydrophobicContact CB-CD2 4.18Å; L670-F674 HydrophobicContact CB-CE2 4.26Å; L670-F674 HydrophobicContact CD2-CE2 4.25Å; L670-F674 WeakPolarHBondContact O-CB 3.33Å; L670-F674 WeakPolarHBondContact O-CD2 3.16Å; L670-F674 PolarHBondContact O-N 3.33Å |
| 671 | A | 92 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | C582 F583 D667 Q668 F674 Q675 E676 A677 | C582-A671 HydrophobicContact CB-CB 4.07Å; F583-A671 HydrophobicContact CB-CB 4.09Å; F583-A671 HydrophobicContact CD2-CB 4.44Å; D667-A671 PolarHBondContact O-N 3Å; Q668-A671 WeakPolarHBondContact O-CB 3.48Å; Q668-A671 PolarHBondContact O-N 3.47Å; A671-F674 CarbonylContact O-C 3.51Å; A671-F674 PolarHBondContact O-N 2.77Å; A671-Q675 CarbonylContact O-C 3.58Å; A671-Q675 PolarHBondContact O-N 3.15Å; A671-E676 HydrophobicContact CB-CB 4.16Å; A671-E676 PolarHBondContact O-N 3.38Å; A671-A677 HydrophobicContact CB-CB 4.22Å; A671-A677 PolarHBondContact O-N 3.07Å |
| 672 | I | 90.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -48 | 177.3 | -62.7 | 159.5 | 0 | 0 | 0 | 110.3 | Q668 L670 F674 Q675 A677 W726 | Q668-I672 HydrophobicContact CG-CD1 4.2Å; Q668-I672 WeakPolarHBondContact O-CD1 3.34Å; Q668-I672 VanDerWaalsContact O-CG1 3.26Å; Q668-I672 WeakPolarHBondContact O-CG1 3.06Å; Q668-I672 PolarHBondContact O-N 2.82Å; L670-I672 VanDerWaalsContact C-N 3.28Å; L670-I672 PolarHBondContact O-N 2.92Å; I672-F674 VanDerWaalsContact C-N 3.28Å; I672-F674 PolarHBondContact O-N 2.85Å; I672-Q675 PolarHBondContact O-N 2.78Å; I672-Q675 VanDerWaalsContact O-N 3.13Å; I672-A677 HydrophobicContact CG1-CB 3.85Å; I672-W726 HydrophobicContact CD1-CB 3.41Å; I672-W726 VanDerWaalsContact CD1-CB 3.41Å; I672-W726 HydrophobicContact CD1-CD2 4.24Å; I672-W726 HydrophobicContact CD1-CG 3.53Å; I672-W726 HydrophobicContact CG1-CB 4.09Å; I672-W726 HydrophobicContact CG1-CD2 3.89Å; I672-W726 HydrophobicContact CG1-CG 3.66Å; I672-W726 HydrophobicContact CG2-CG 4.33Å |
| 673 | K | 91.9 | Very high | 92.4 | Very high | 161 Ų | 161 | 48.1 Ų | 48.1 | 70% | 0.7 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.6 | -37.5 | 179.9 | -174.6 | 179.5 | 179.4 | -178 | 0 | 112.4 | S669 L670 | S669-K673 WeakPolarHBondContact O-CB 3.46Å; S669-K673 PolarHBondContact O-N 3.08Å; S669-K673 VanDerWaalsContact O-N 3.12Å; L670-K673 PolarHBondContact O-N 2.91Å; L670-K673 VanDerWaalsContact O-N 3.12Å |
| 674 | F | 92.2 | Very high | 92.6 | Very high | 118 Ų | 118 | 48.4 Ų | 48.4 | 52% | 0.518 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8.9 | 179 | -65.6 | -62.3 | 0 | 0 | 0 | 113.6 | F583 L670 A671 I672 E676 | F583-F674 HydrophobicContact CE2-CB 4.46Å; F583-F674 AromaticContact CE2-CD2 3.81Å; F583-F674 HydrophobicContact CE2-CD2 3.81Å; F583-F674 HydrophobicContact CE2-CG 4.47Å; F583-F674 AromaticContact CZ-CD2 3.69Å; F583-F674 HydrophobicContact CZ-CD2 3.69Å; F583-F674 AromaticContact CZ-CE2 3.98Å; F583-F674 HydrophobicContact CZ-CE2 3.98Å; L670-F674 HydrophobicContact CB-CD2 4.18Å; L670-F674 HydrophobicContact CB-CE2 4.26Å; L670-F674 HydrophobicContact CD2-CE2 4.25Å; L670-F674 WeakPolarHBondContact O-CB 3.33Å; L670-F674 WeakPolarHBondContact O-CD2 3.16Å; L670-F674 PolarHBondContact O-N 3.33Å; A671-F674 CarbonylContact O-C 3.51Å; A671-F674 PolarHBondContact O-N 2.77Å; I672-F674 VanDerWaalsContact C-N 3.28Å; I672-F674 PolarHBondContact O-N 2.85Å; F674-E676 HydrophobicContact CB-CG 4.32Å; F674-E676 PolarHBondContact O-N 2.96Å |
| 675 | Q | 89.5 | Confident | 93 | Very high | 171 Ų | 171 | 52.4 Ų | 52.4 | 80% | 0.799 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 22.7 | 179.9 | -54 | -179.9 | 9.1 | 0 | 0 | 115 | A671 I672 | A671-Q675 CarbonylContact O-C 3.58Å; A671-Q675 PolarHBondContact O-N 3.15Å; I672-Q675 PolarHBondContact O-N 2.78Å; I672-Q675 VanDerWaalsContact O-N 3.13Å |
| 676 | E | 89.3 | Confident | 93.5 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8.5 | 175.9 | -70.9 | -68.9 | 167.9 | 0 | 0 | 112.9 | C582 F583 R587 A671 F674 S678 | C582-E676 WeakPolarHBondContact CB-O 3.44Å; F583-E676 HydrophobicContact CD2-CB 4.48Å; F583-E676 HydrophobicContact CD2-CG 4.43Å; R587-E676 IonicContact CZ-OE2 2.82Å; R587-E676 IonicContact NH1-OE2 3.76Å; R587-E676 PolarHBondContact NH1-OE2 2.81Å; R587-E676 VanDerWaalsContact NH1-OE2 3.15Å; A671-E676 HydrophobicContact CB-CB 4.16Å; A671-E676 PolarHBondContact O-N 3.38Å; F674-E676 HydrophobicContact CB-CG 4.32Å; F674-E676 PolarHBondContact O-N 2.96Å; E676-S678 PolarHBondContact O-N 2.97Å |
| 677 | A | 91.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A671 I672 L679 E680 W726 | A671-A677 HydrophobicContact CB-CB 4.22Å; A671-A677 PolarHBondContact O-N 3.07Å; I672-A677 HydrophobicContact CG1-CB 3.85Å; A677-L679 PolarHBondContact O-N 3.33Å; A677-L679 VanDerWaalsContact O-N 3.16Å; A677-E680 WeakPolarHBondContact O-CB 3.49Å; A677-E680 PolarHBondContact O-N 3.15Å; A677-W726 HydrophobicContact CB-CD2 4.26Å; A677-W726 HydrophobicContact CB-CE3 3.94Å; A677-W726 HydrophobicContact CB-CH2 3.51Å; A677-W726 HydrophobicContact CB-CZ2 3.84Å; A677-W726 HydrophobicContact CB-CZ3 3.59Å; A677-W726 VanDerWaalsContact O-CH2 3.24Å; A677-W726 WeakPolarHBondContact O-CH2 3.48Å; A677-W726 WeakPolarHBondContact O-CZ3 3.34Å |
| 678 | S | 93.8 | Very high | 94.3 | Very high | 73 Ų | 73 | 49 Ų | 49 | 51% | 0.51 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.2 | -29.1 | 178.5 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | E676 E680 N681 E682 | E676-S678 PolarHBondContact O-N 2.97Å; S678-E680 VanDerWaalsContact C-N 3.26Å; S678-E680 PolarHBondContact O-N 3.48Å; S678-N681 WeakPolarHBondContact O-CB 3.09Å; S678-N681 PolarHBondContact O-N 2.59Å; S678-N681 VanDerWaalsContact O-N 3.13Å; S678-E682 PolarHBondContact O-N 2.99Å; S678-E682 VanDerWaalsContact O-N 3.11Å |
| 679 | L | 94.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -34.6 | 174.7 | -179.3 | 62.6 | 0 | 0 | 0 | 112.4 | R587 L590 I594 A677 N681 E682 I683 | R587-L679 HydrophobicContact CG-CD2 4.14Å; L590-L679 HydrophobicContact CB-CD2 4.47Å; I594-L679 HydrophobicContact CD1-CD1 3.95Å; A677-L679 PolarHBondContact O-N 3.33Å; A677-L679 VanDerWaalsContact O-N 3.16Å; L679-N681 VanDerWaalsContact C-N 3.34Å; L679-E682 PolarHBondContact O-N 3.27Å; L679-I683 HydrophobicContact CD1-CD1 4.47Å; L679-I683 HydrophobicContact CD1-CG1 4.47Å; L679-I683 HydrophobicContact CG-CD1 4.09Å; L679-I683 VanDerWaalsContact O-CG1 3.26Å; L679-I683 WeakPolarHBondContact O-CG1 3.48Å; L679-I683 PolarHBondContact O-N 3.44Å |
| 680 | E | 96.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.7 | -178.4 | 169.1 | 116 | 0 | 0 | 111.4 | N661 G663 Q668 A677 S678 I683 N684 W726 | N661-E680 PolarHBondContact ND2-OE2 2.81Å; N661-E680 VanDerWaalsContact O-CG 3.26Å; N661-E680 WeakPolarHBondContact O-CG 3.43Å; G663-E680 PolarHBondContact N-OE2 2.75Å; Q668-E680 PolarHBondContact NE2-OE2 2.88Å; A677-E680 WeakPolarHBondContact O-CB 3.49Å; A677-E680 PolarHBondContact O-N 3.15Å; S678-E680 VanDerWaalsContact C-N 3.26Å; S678-E680 PolarHBondContact O-N 3.48Å; E680-I683 PolarHBondContact O-N 3.27Å; E680-N684 WeakPolarHBondContact O-CB 3.5Å; E680-N684 VanDerWaalsContact O-CG 3.27Å; E680-N684 PolarHBondContact O-N 2.75Å; E680-N684 PolarHBondContact O-ND2 3.34Å; E680-W726 HydrophobicContact CB-CZ3 4.15Å |
| 681 | N | 96.3 | Very high | 95 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 175 | -66.9 | -26.3 | 0 | 0 | 0 | 111.2 | S678 L679 I683 N684 Q685 H724 W726 | S678-N681 WeakPolarHBondContact O-CB 3.09Å; S678-N681 PolarHBondContact O-N 2.59Å; S678-N681 VanDerWaalsContact O-N 3.13Å; L679-N681 VanDerWaalsContact C-N 3.34Å; N681-I683 VanDerWaalsContact C-N 3.34Å; N681-I683 PolarHBondContact O-N 3.39Å; N681-N684 PolarHBondContact O-N 2.86Å; N681-Q685 VanDerWaalsContact O-CB 3.31Å; N681-Q685 WeakPolarHBondContact O-CB 3.36Å; N681-Q685 WeakPolarHBondContact O-CG 3.41Å; N681-Q685 PolarHBondContact O-N 2.81Å; N681-H724 PolarHBondContact ND2-N 3.49Å; N681-H724 PolarHBondContact OD1-N 2.83Å; N681-H724 VanDerWaalsContact OD1-N 3.09Å; N681-W726 WeakPolarHBondContact ND2-CH2 3.32Å |
| 682 | E | 96.5 | Very high | 95.1 | Very high | 97 Ų | 97 | 52.7 Ų | 52.7 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.3 | -48 | 177 | -178.9 | -172.5 | 155.5 | 0 | 0 | 111.1 | R331 S678 L679 G686 | R331-E682 IonicContact CZ-OE1 3.76Å; R331-E682 IonicContact NH1-OE1 2.84Å; R331-E682 PolarHBondContact NH1-OE1 2.87Å; R331-E682 IonicContact NH1-OE2 3.89Å; R331-E682 IonicContact NH2-OE1 3.82Å; R331-E682 PolarHBondContact NH2-OE1 3.09Å; R331-E682 VanDerWaalsContact NH2-OE1 3.09Å; R331-E682 IonicContact NH2-OE2 2.85Å; S678-E682 PolarHBondContact O-N 2.99Å; S678-E682 VanDerWaalsContact O-N 3.11Å; L679-E682 PolarHBondContact O-N 3.27Å; E682-G686 PolarHBondContact O-N 3.23Å; E682-G686 VanDerWaalsContact O-N 3.14Å |
| 683 | I | 97.7 | Very high | 95.3 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -53.9 | 178.1 | -67.1 | 165.9 | 0 | 0 | 0 | 110.3 | L590 I594 L659 N661 L679 E680 N681 G686 A687 | L590-I683 HydrophobicContact CD2-CD1 4.2Å; I594-I683 HydrophobicContact CD1-CD1 3.97Å; I594-I683 HydrophobicContact CD1-CG1 4.02Å; I594-I683 HydrophobicContact CG1-CD1 4.23Å; I594-I683 HydrophobicContact CG1-CG1 4.17Å; L659-I683 HydrophobicContact CD2-CG2 4.27Å; L659-I683 HydrophobicContact CG-CG2 3.96Å; L659-I683 VanDerWaalsContact O-CG2 3.26Å; L659-I683 WeakPolarHBondContact O-CG2 3.36Å; N661-I683 HydrophobicContact CB-CD1 4.01Å; N661-I683 HydrophobicContact CB-CG2 4.09Å; L679-I683 HydrophobicContact CD1-CD1 4.47Å; L679-I683 HydrophobicContact CD1-CG1 4.47Å; L679-I683 HydrophobicContact CG-CD1 4.09Å; L679-I683 VanDerWaalsContact O-CG1 3.26Å; L679-I683 WeakPolarHBondContact O-CG1 3.48Å; L679-I683 PolarHBondContact O-N 3.44Å; E680-I683 PolarHBondContact O-N 3.27Å; N681-I683 VanDerWaalsContact C-N 3.34Å; N681-I683 PolarHBondContact O-N 3.39Å; I683-G686 PolarHBondContact O-N 3.24Å; I683-A687 WeakPolarHBondContact O-CB 3.35Å; I683-A687 PolarHBondContact O-N 2.98Å |
| 684 | N | 98.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.3 | -32.9 | -171.1 | -65.1 | -26.6 | 0 | 0 | 0 | 113.1 | W660 N661 E680 N681 A687 G688 N721 L731 | W660-N684 HydrophobicContact CE3-CB 4.16Å; W660-N684 HydrophobicContact CZ3-CB 4.26Å; N661-N684 PolarHBondContact N-OD1 2.95Å; N661-N684 PolarHBondContact O-ND2 2.94Å; N661-N684 PolarHBondContact O-OD1 2.74Å; E680-N684 WeakPolarHBondContact O-CB 3.5Å; E680-N684 VanDerWaalsContact O-CG 3.27Å; E680-N684 PolarHBondContact O-N 2.75Å; E680-N684 PolarHBondContact O-ND2 3.34Å; N681-N684 PolarHBondContact O-N 2.86Å; N684-A687 WeakPolarHBondContact O-CB 3.48Å; N684-A687 PolarHBondContact O-N 3.24Å; N684-G688 PolarHBondContact O-N 2.91Å; N684-N721 WeakPolarHBondContact CB-OD1 3.41Å; N684-N721 PolarHBondContact O-ND2 3.37Å; N684-L731 HydrophobicContact CB-CD2 4.19Å |
| 685 | Q | 97.7 | Very high | 95.5 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 172.5 | -71.9 | 172.7 | 8.1 | 0 | 0 | 111.7 | N681 A687 G688 S689 | N681-Q685 VanDerWaalsContact O-CB 3.31Å; N681-Q685 WeakPolarHBondContact O-CB 3.36Å; N681-Q685 WeakPolarHBondContact O-CG 3.41Å; N681-Q685 PolarHBondContact O-N 2.81Å; Q685-A687 VanDerWaalsContact C-N 3.31Å; Q685-A687 PolarHBondContact O-N 2.83Å; Q685-G688 PolarHBondContact O-N 3.22Å; Q685-S689 PolarHBondContact O-N 3.1Å; Q685-S689 VanDerWaalsContact O-N 3.08Å; Q685-S689 PolarHBondContact O-OG 2.89Å |
| 686 | G | 97.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 43 Ų | 43 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E682 I683 S689 L690 | E682-G686 PolarHBondContact O-N 3.23Å; E682-G686 VanDerWaalsContact O-N 3.14Å; I683-G686 PolarHBondContact O-N 3.24Å; G686-S689 PolarHBondContact O-N 2.98Å; G686-L690 WeakPolarHBondContact O-CG 3.46Å; G686-L690 PolarHBondContact O-N 3.28Å |
| 687 | A | 98.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I658 L659 W660 I683 N684 Q685 S689 L690 L691 | I658-A687 HydrophobicContact CG2-CB 3.7Å; L659-A687 VanDerWaalsContact O-CB 3.25Å; L659-A687 WeakPolarHBondContact O-CB 3.3Å; W660-A687 HydrophobicContact CD2-CB 3.59Å; W660-A687 HydrophobicContact CE3-CB 3.75Å; W660-A687 HydrophobicContact CG-CB 4.18Å; W660-A687 HydrophobicContact CH2-CB 3.93Å; W660-A687 HydrophobicContact CZ2-CB 3.77Å; W660-A687 HydrophobicContact CZ3-CB 3.92Å; I683-A687 WeakPolarHBondContact O-CB 3.35Å; I683-A687 PolarHBondContact O-N 2.98Å; N684-A687 WeakPolarHBondContact O-CB 3.48Å; N684-A687 PolarHBondContact O-N 3.24Å; Q685-A687 VanDerWaalsContact C-N 3.31Å; Q685-A687 PolarHBondContact O-N 2.83Å; A687-S689 PolarHBondContact O-N 3.19Å; A687-L690 PolarHBondContact O-N 2.72Å; A687-L691 WeakPolarHBondContact O-CB 3.15Å; A687-L691 PolarHBondContact O-N 3.47Å |
| 688 | G | 97.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N684 Q685 L690 L691 E692 | N684-G688 PolarHBondContact O-N 2.91Å; Q685-G688 PolarHBondContact O-N 3.22Å; G688-L690 VanDerWaalsContact C-N 3.34Å; G688-L690 PolarHBondContact O-N 2.87Å; G688-L691 PolarHBondContact O-N 3.02Å; G688-E692 WeakPolarHBondContact O-CG 3.44Å; G688-E692 PolarHBondContact O-N 3.44Å |
| 689 | S | 97.7 | Very high | 94.9 | Very high | 72 Ų | 72 | 41 Ų | 41 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | Q685 G686 A687 R693 | Q685-S689 PolarHBondContact O-N 3.1Å; Q685-S689 VanDerWaalsContact O-N 3.08Å; Q685-S689 PolarHBondContact O-OG 2.89Å; G686-S689 PolarHBondContact O-N 2.98Å; A687-S689 PolarHBondContact O-N 3.19Å; S689-R693 PolarHBondContact O-N 3.45Å; S689-R693 VanDerWaalsContact O-N 3.16Å |
| 690 | L | 97.8 | Very high | 94 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 176.4 | -72.3 | 171.6 | 0 | 0 | 0 | 111.8 | I658 G686 A687 G688 R693 Y694 | I658-L690 HydrophobicContact CD1-CB 3.96Å; I658-L690 HydrophobicContact CG1-CB 4.19Å; G686-L690 WeakPolarHBondContact O-CG 3.46Å; G686-L690 PolarHBondContact O-N 3.28Å; A687-L690 PolarHBondContact O-N 2.72Å; G688-L690 VanDerWaalsContact C-N 3.34Å; G688-L690 PolarHBondContact O-N 2.87Å; L690-R693 PolarHBondContact O-N 2.78Å; L690-Y694 PolarHBondContact O-N 2.78Å |
| 691 | L | 97 | Very high | 93 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | -179.7 | -175.7 | 58.3 | 0 | 0 | 0 | 111.1 | L573 I658 W660 A687 G688 R693 Y694 C695 L717 L738 L742 | L573-L691 HydrophobicContact CD1-CD1 4.44Å; L573-L691 HydrophobicContact CD2-CD1 4Å; I658-L691 HydrophobicContact CD1-CB 3.84Å; I658-L691 HydrophobicContact CD1-CD1 4.05Å; W660-L691 HydrophobicContact CZ2-CB 4.4Å; W660-L691 HydrophobicContact CZ2-CD2 3.87Å; A687-L691 WeakPolarHBondContact O-CB 3.15Å; A687-L691 PolarHBondContact O-N 3.47Å; G688-L691 PolarHBondContact O-N 3.02Å; L691-R693 PolarHBondContact O-N 3.13Å; L691-Y694 PolarHBondContact O-N 3.49Å; L691-C695 VanDerWaalsContact O-CB 3.24Å; L691-C695 WeakPolarHBondContact O-CB 3.35Å; L691-C695 PolarHBondContact O-N 3.21Å; L691-L717 HydrophobicContact CD2-CD2 3.76Å; L691-L738 HydrophobicContact CD2-CB 4.48Å; L691-L738 HydrophobicContact CD2-CD2 3.72Å; L691-L738 HydrophobicContact CD2-CG 4.15Å; L691-L738 HydrophobicContact CG-CD2 4.24Å; L691-L742 HydrophobicContact CD1-CD1 3.82Å |
| 692 | E | 94.7 | Very high | 92.1 | Very high | 58 Ų | 58 | 57 Ų | 57 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 172.6 | -76.3 | -173.3 | 178.2 | 0 | 0 | 112.1 | G688 Y694 C695 L696 L714 R718 | G688-E692 WeakPolarHBondContact O-CG 3.44Å; G688-E692 PolarHBondContact O-N 3.44Å; E692-Y694 VanDerWaalsContact C-N 3.34Å; E692-Y694 PolarHBondContact O-N 2.86Å; E692-C695 WeakPolarHBondContact O-CB 3.25Å; E692-C695 PolarHBondContact O-N 3.02Å; E692-L696 WeakPolarHBondContact O-CG 3.45Å; E692-L696 PolarHBondContact O-N 3.24Å; E692-L714 HydrophobicContact CG-CD1 3.73Å; E692-L714 HydrophobicContact CG-CD2 4.19Å; E692-L714 HydrophobicContact CG-CG 4.46Å; E692-R718 IonicContact OE1-CZ 3.49Å; E692-R718 VanDerWaalsContact OE1-CZ 3.27Å; E692-R718 IonicContact OE1-NE 2.87Å; E692-R718 PolarHBondContact OE1-NE 2.91Å; E692-R718 IonicContact OE1-NH2 3.63Å; E692-R718 PolarHBondContact OE1-NH2 3.02Å; E692-R718 IonicContact OE2-NH2 3.53Å |
| 693 | R | 94.8 | Very high | 90.8 | Very high | 174 Ų | 174 | 64.2 Ų | 64.2 | 66% | 0.657 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 176.4 | -171.9 | -174.1 | -57.7 | 179.3 | 1.9 | 111.8 | S689 L690 L691 L696 S697 | S689-R693 PolarHBondContact O-N 3.45Å; S689-R693 VanDerWaalsContact O-N 3.16Å; L690-R693 PolarHBondContact O-N 2.78Å; L691-R693 PolarHBondContact O-N 3.13Å; R693-L696 PolarHBondContact O-N 3.46Å; R693-S697 PolarHBondContact O-N 2.84Å; R693-S697 VanDerWaalsContact O-N 3.15Å |
| 694 | Y | 95.5 | Very high | 89.7 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 176.5 | -175.4 | -86.8 | 0 | 0 | 0 | 111.2 | S570 G571 L573 H656 L690 L691 E692 L696 S697 A698 L742 | S570-Y694 WeakPolarHBondContact O-CE2 3.36Å; G571-Y694 WeakPolarHBondContact O-CE2 3.34Å; G571-Y694 PolarHBondContact O-OH 3.5Å; L573-Y694 HydrophobicContact CB-CD1 4.3Å; L573-Y694 HydrophobicContact CB-CD2 4.49Å; L573-Y694 HydrophobicContact CB-CE1 3.76Å; L573-Y694 HydrophobicContact CB-CE2 3.96Å; L573-Y694 HydrophobicContact CD1-CD1 4.33Å; L573-Y694 HydrophobicContact CD1-CD2 4.45Å; L573-Y694 HydrophobicContact CD1-CG 4.24Å; L573-Y694 HydrophobicContact CD2-CD1 3.79Å; L573-Y694 HydrophobicContact CD2-CE1 3.75Å; L573-Y694 HydrophobicContact CG-CD1 4.37Å; L573-Y694 HydrophobicContact CG-CE1 4.24Å; H656-Y694 HydrophobicContact CB-CD2 4.19Å; H656-Y694 AromaticContact CD2-CD2 3.75Å; H656-Y694 AromaticContact CD2-CE2 3.8Å; H656-Y694 AromaticContact CG-CD2 3.96Å; L690-Y694 PolarHBondContact O-N 2.78Å; L691-Y694 PolarHBondContact O-N 3.49Å; E692-Y694 VanDerWaalsContact C-N 3.34Å; E692-Y694 PolarHBondContact O-N 2.86Å; Y694-L696 VanDerWaalsContact C-N 3.33Å; Y694-L696 PolarHBondContact O-N 3.2Å; Y694-S697 WeakPolarHBondContact O-CB 3.31Å; Y694-S697 PolarHBondContact O-N 3.21Å; Y694-A698 HydrophobicContact CD1-CB 4.31Å; Y694-A698 HydrophobicContact CE1-CB 3.96Å; Y694-A698 WeakPolarHBondContact O-CB 3.12Å; Y694-A698 PolarHBondContact O-N 3Å; Y694-L742 HydrophobicContact CD1-CD1 4.42Å; Y694-L742 HydrophobicContact CE1-CB 4.23Å |
| 695 | C | 92.8 | Very high | 89 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.7 | -45.7 | 176.6 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | L691 E692 S697 A698 R699 L742 | L691-C695 VanDerWaalsContact O-CB 3.24Å; L691-C695 WeakPolarHBondContact O-CB 3.35Å; L691-C695 PolarHBondContact O-N 3.21Å; E692-C695 WeakPolarHBondContact O-CB 3.25Å; E692-C695 PolarHBondContact O-N 3.02Å; C695-S697 VanDerWaalsContact C-N 3.32Å; C695-S697 PolarHBondContact O-N 3.26Å; C695-A698 PolarHBondContact O-N 2.93Å; C695-R699 WeakPolarHBondContact O-CB 3.18Å; C695-R699 WeakPolarHBondContact O-CG 3.17Å; C695-R699 PolarHBondContact O-N 3.05Å; C695-R699 PolarHBondContact SG-NE 2.74Å; C695-L742 HydrophobicContact CB-CD1 4Å; C695-L742 HydrophobicContact CB-CD2 4.34Å |
| 696 | L | 89.9 | Confident | 88.5 | Confident | 111 Ų | 111 | 71.3 Ų | 71.3 | 58% | 0.581 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63 | -35.8 | 175.5 | -69.9 | 172.9 | 0 | 0 | 0 | 113.2 | E692 R693 Y694 R700 | E692-L696 WeakPolarHBondContact O-CG 3.45Å; E692-L696 PolarHBondContact O-N 3.24Å; R693-L696 PolarHBondContact O-N 3.46Å; Y694-L696 VanDerWaalsContact C-N 3.33Å; Y694-L696 PolarHBondContact O-N 3.2Å; L696-R700 WeakPolarHBondContact O-CG 3.42Å |
| 697 | S | 90.1 | Very high | 88 | Confident | 50 Ų | 50 | 76 Ų | 76 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.6 | -49.6 | 176.6 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | S570 R693 Y694 C695 R700 | S570-S697 PolarHBondContact OG-OG 3.16Å; R693-S697 PolarHBondContact O-N 2.84Å; R693-S697 VanDerWaalsContact O-N 3.15Å; Y694-S697 WeakPolarHBondContact O-CB 3.31Å; Y694-S697 PolarHBondContact O-N 3.21Å; C695-S697 VanDerWaalsContact C-N 3.32Å; C695-S697 PolarHBondContact O-N 3.26Å; S697-R700 PolarHBondContact O-N 2.64Å |
| 698 | A | 88.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.9 | -40.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L566 Y694 C695 R700 Q701 E702 F705 | L566-A698 HydrophobicContact CD2-CB 3.88Å; Y694-A698 HydrophobicContact CD1-CB 4.31Å; Y694-A698 HydrophobicContact CE1-CB 3.96Å; Y694-A698 WeakPolarHBondContact O-CB 3.12Å; Y694-A698 PolarHBondContact O-N 3Å; C695-A698 PolarHBondContact O-N 2.93Å; A698-R700 VanDerWaalsContact C-N 3.26Å; A698-R700 PolarHBondContact O-N 3.02Å; A698-Q701 PolarHBondContact O-N 3.24Å; A698-E702 PolarHBondContact O-N 2.89Å; A698-F705 HydrophobicContact CB-CE2 3.82Å |
| 699 | R | 82.6 | Confident | 87.3 | Confident | 63 Ų | 63 | 87.5 Ų | 87.5 | 24% | 0.238 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.5 | -29.4 | 178.4 | -77.2 | 177.7 | -176.6 | -151.4 | 4.5 | 114.3 | C695 Q701 E707 | C695-R699 WeakPolarHBondContact O-CB 3.18Å; C695-R699 WeakPolarHBondContact O-CG 3.17Å; C695-R699 PolarHBondContact O-N 3.05Å; C695-R699 PolarHBondContact SG-NE 2.74Å; R699-Q701 PolarHBondContact O-N 3.41Å; R699-E707 IonicContact NH1-OE1 3.83Å |
| 700 | R | 76.7 | Confident | 87.1 | Confident | 211 Ų | 211 | 84.1 Ų | 84.1 | 80% | 0.796 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.8 | -179.5 | -74.5 | 177.3 | 178.1 | -178.6 | 0.2 | 113.1 | L696 S697 A698 | L696-R700 WeakPolarHBondContact O-CG 3.42Å; S697-R700 PolarHBondContact O-N 2.64Å; A698-R700 VanDerWaalsContact C-N 3.26Å; A698-R700 PolarHBondContact O-N 3.02Å |
| 701 | Q | 74.2 | Confident | 86.8 | Confident | 116 Ų | 116 | 87.9 Ų | 87.9 | 54% | 0.542 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -31.5 | -167.7 | -58.9 | -62.6 | -18.6 | 0 | 0 | 112.9 | H569 A698 R699 | H569-Q701 HydrophobicContact CB-CG 4.29Å; A698-Q701 PolarHBondContact O-N 3.24Å; R699-Q701 PolarHBondContact O-N 3.41Å |
| 702 | E | 76.8 | Confident | 86.7 | Confident | 35 Ų | 35 | 93.9 Ų | 93.9 | 16% | 0.164 | 41% | 0.413 | C | S | . | . | trans | -109.5 | 111.1 | -170.8 | -156.2 | 55.2 | -113.6 | 0 | 0 | 113 | L562 S565 L566 A698 Q704 F705 | L562-E702 HydrophobicContact CD1-CG 3.64Å; S565-E702 PolarHBondContact OG-OE2 3.42Å; L566-E702 HydrophobicContact CD2-CB 4.4Å; A698-E702 PolarHBondContact O-N 2.89Å; E702-Q704 VanDerWaalsContact C-N 3.3Å; E702-Q704 PolarHBondContact O-N 3.4Å; E702-F705 HydrophobicContact CB-CD2 4.03Å; E702-F705 HydrophobicContact CB-CE2 3.9Å; E702-F705 HydrophobicContact CB-CG 4.45Å; E702-F705 HydrophobicContact CB-CZ 4.22Å; E702-F705 HydrophobicContact CG-CE1 4.41Å; E702-F705 HydrophobicContact CG-CZ 4.37Å | ||
| 703 | R | 69.8 | Low | 86.7 | Confident | 248 Ų | 248 | 91.1 Ų | 91.1 | 94% | 0.936 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -17.2 | -174.5 | -66.3 | -176.6 | -178.7 | 179.6 | 1 | 113.9 | F705 | R703-F705 PolarHBondContact O-N 3.12Š|
| 704 | Q | 76 | Confident | 86.8 | Confident | 124 Ų | 124 | 83.6 Ų | 83.6 | 58% | 0.579 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -11.9 | -178.8 | -65.6 | -175.5 | -15.3 | 0 | 0 | 113.1 | E702 E706 | E702-Q704 VanDerWaalsContact C-N 3.3Å; E702-Q704 PolarHBondContact O-N 3.4Å; Q704-E706 PolarHBondContact O-N 3.21Å |
| 705 | F | 83.3 | Confident | 86.8 | Confident | 26 Ų | 26 | 86.4 Ų | 86.4 | 11% | 0.114 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -72.8 | 121.9 | -178.9 | -73.9 | -14.1 | 0 | 0 | 0 | 112.4 | L562 L566 A698 E702 R703 E707 I710 M741 L742 | L562-F705 HydrophobicContact CD1-CE1 4.04Å; L566-F705 HydrophobicContact CD1-CZ 3.94Å; L566-F705 HydrophobicContact CD2-CE2 4.14Å; L566-F705 HydrophobicContact CD2-CZ 3.91Å; L566-F705 HydrophobicContact CG-CZ 4.5Å; A698-F705 HydrophobicContact CB-CE2 3.82Å; E702-F705 HydrophobicContact CB-CD2 4.03Å; E702-F705 HydrophobicContact CB-CE2 3.9Å; E702-F705 HydrophobicContact CB-CG 4.45Å; E702-F705 HydrophobicContact CB-CZ 4.22Å; E702-F705 HydrophobicContact CG-CE1 4.41Å; E702-F705 HydrophobicContact CG-CZ 4.37Å; R703-F705 PolarHBondContact O-N 3.12Å; F705-E707 VanDerWaalsContact C-N 3.35Å; F705-E707 PolarHBondContact O-N 3.46Å; F705-I710 HydrophobicContact CB-CD1 3.61Å; F705-I710 HydrophobicContact CD1-CD1 4.41Å; F705-I710 HydrophobicContact CD2-CD1 4.27Å; F705-I710 HydrophobicContact CG-CD1 3.86Å; F705-M741 WeakPolarHBondContact CE1-O 3.34Å; F705-L742 HydrophobicContact CE2-CD2 4.23Å |
| 706 | E | 86.5 | Confident | 87 | Confident | 108 Ų | 108 | 90.8 Ų | 90.8 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | trans | -71.6 | 88 | 172.7 | -63.3 | -178.8 | 128.3 | 0 | 0 | 109.9 | Q704 E708 K709 I710 | Q704-E706 PolarHBondContact O-N 3.21Å; E706-E708 VanDerWaalsContact C-N 3.29Å; E706-E708 PolarHBondContact O-N 2.71Å; E706-K709 HydrophobicContact CB-CB 4.16Å; E706-K709 HydrophobicContact CB-CD 4.42Å; E706-K709 HydrophobicContact CB-CG 4.18Å; E706-K709 PolarHBondContact O-N 2.91Å; E706-K709 VanDerWaalsContact O-N 3.12Å; E706-K709 WeakPolarHBondContact OE1-CE 3.41Å; E706-K709 IonicContact OE1-NZ 2.83Å; E706-K709 PolarHBondContact OE1-NZ 3.18Å; E706-K709 WeakPolarHBondContact OE2-CD 3.15Å; E706-K709 WeakPolarHBondContact OE2-CE 3.24Å; E706-K709 IonicContact OE2-NZ 2.7Å; E706-K709 PolarHBondContact OE2-NZ 3.49Å; E706-I710 WeakPolarHBondContact O-CG1 3.24Å; E706-I710 PolarHBondContact O-N 2.92Å | ||
| 707 | E | 86.4 | Confident | 87.4 | Confident | 132 Ų | 132 | 85.7 Ų | 85.7 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -54.3 | -42.8 | -169.9 | -175.2 | 172.2 | -168.5 | 0 | 0 | 113.5 | R699 F705 I710 K711 | R699-E707 IonicContact NH1-OE1 3.83Å; F705-E707 VanDerWaalsContact C-N 3.35Å; F705-E707 PolarHBondContact O-N 3.46Å; E707-I710 PolarHBondContact O-N 2.91Å; E707-K711 WeakPolarHBondContact O-CB 3.48Å; E707-K711 PolarHBondContact O-N 2.73Å |
| 708 | E | 90.5 | Very high | 87.7 | Confident | 157 Ų | 157 | 88.9 Ų | 88.9 | 73% | 0.734 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.5 | -48.9 | 178.8 | -66 | -177.2 | 166.8 | 0 | 0 | 111.3 | E706 I710 K711 E712 | E706-E708 VanDerWaalsContact C-N 3.29Å; E706-E708 PolarHBondContact O-N 2.71Å; E708-I710 PolarHBondContact O-N 3.12Å; E708-K711 WeakPolarHBondContact O-CB 3.5Å; E708-K711 PolarHBondContact O-N 3.02Å; E708-K711 VanDerWaalsContact O-N 3.12Å; E708-E712 WeakPolarHBondContact O-CG 3.4Å; E708-E712 PolarHBondContact O-N 2.92Å |
| 709 | K | 92.1 | Very high | 88.1 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 41% | 0.409 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 179.5 | -60.7 | -162.3 | -158.5 | 154.1 | 0 | 112.3 | E706 K711 A713 M741 | E706-K709 HydrophobicContact CB-CB 4.16Å; E706-K709 HydrophobicContact CB-CD 4.42Å; E706-K709 HydrophobicContact CB-CG 4.18Å; E706-K709 PolarHBondContact O-N 2.91Å; E706-K709 VanDerWaalsContact O-N 3.12Å; E706-K709 WeakPolarHBondContact OE1-CE 3.41Å; E706-K709 IonicContact OE1-NZ 2.83Å; E706-K709 PolarHBondContact OE1-NZ 3.18Å; E706-K709 WeakPolarHBondContact OE2-CD 3.15Å; E706-K709 WeakPolarHBondContact OE2-CE 3.24Å; E706-K709 IonicContact OE2-NZ 2.7Å; E706-K709 PolarHBondContact OE2-NZ 3.49Å; K709-K711 VanDerWaalsContact C-N 3.32Å; K709-A713 VanDerWaalsContact O-CB 3.24Å; K709-A713 WeakPolarHBondContact O-CB 3.17Å; K709-A713 PolarHBondContact O-N 3.35Å; K709-M741 HydrophobicContact CB-CE 3.86Å |
| 710 | I | 92.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 93 Ų | 93 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 175.9 | -59.5 | 171.7 | 0 | 0 | 0 | 109.9 | F705 E706 E707 E708 A713 L714 L738 M741 L742 | F705-I710 HydrophobicContact CB-CD1 3.61Å; F705-I710 HydrophobicContact CD1-CD1 4.41Å; F705-I710 HydrophobicContact CD2-CD1 4.27Å; F705-I710 HydrophobicContact CG-CD1 3.86Å; E706-I710 WeakPolarHBondContact O-CG1 3.24Å; E706-I710 PolarHBondContact O-N 2.92Å; E707-I710 PolarHBondContact O-N 2.91Å; E708-I710 PolarHBondContact O-N 3.12Å; I710-A713 PolarHBondContact O-N 2.74Å; I710-L714 VanDerWaalsContact O-CB 3.24Å; I710-L714 WeakPolarHBondContact O-CB 3.5Å; I710-L714 PolarHBondContact O-N 3.47Å; I710-L738 HydrophobicContact CG2-CD1 3.65Å; I710-M741 HydrophobicContact CB-CE 4.39Å; I710-M741 HydrophobicContact CG1-CB 4.45Å; I710-M741 HydrophobicContact CG1-CE 3.77Å; I710-L742 HydrophobicContact CD1-CD2 4.28Å; I710-L742 HydrophobicContact CG2-CD2 4.24Å |
| 711 | K | 92.4 | Very high | 89.7 | Confident | 123 Ų | 123 | 84.3 Ų | 84.3 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 177.2 | -174.7 | -177.1 | 176.2 | -173.7 | 0 | 111.2 | E707 E708 K709 A713 L714 D715 | E707-K711 WeakPolarHBondContact O-CB 3.48Å; E707-K711 PolarHBondContact O-N 2.73Å; E708-K711 WeakPolarHBondContact O-CB 3.5Å; E708-K711 PolarHBondContact O-N 3.02Å; E708-K711 VanDerWaalsContact O-N 3.12Å; K709-K711 VanDerWaalsContact C-N 3.32Å; K711-A713 VanDerWaalsContact C-N 3.34Å; K711-A713 PolarHBondContact O-N 3.03Å; K711-L714 WeakPolarHBondContact O-CB 3.42Å; K711-L714 PolarHBondContact O-N 2.92Å; K711-D715 PolarHBondContact O-N 3.14Å |
| 712 | E | 95.5 | Very high | 90.8 | Very high | 127 Ų | 127 | 83.3 Ų | 83.3 | 59% | 0.593 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58 | -46.8 | 174.7 | -71.1 | 174.6 | 176.9 | 0 | 0 | 111.7 | E708 L714 D715 E716 | E708-E712 WeakPolarHBondContact O-CG 3.4Å; E708-E712 PolarHBondContact O-N 2.92Å; E712-L714 VanDerWaalsContact C-N 3.27Å; E712-L714 PolarHBondContact O-N 2.89Å; E712-D715 PolarHBondContact O-N 3.33Å; E712-E716 WeakPolarHBondContact O-CB 3.31Å; E712-E716 PolarHBondContact O-N 3.32Å |
| 713 | A | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K709 I710 K711 L717 Q734 L738 M741 | K709-A713 VanDerWaalsContact O-CB 3.24Å; K709-A713 WeakPolarHBondContact O-CB 3.17Å; K709-A713 PolarHBondContact O-N 3.35Å; I710-A713 PolarHBondContact O-N 2.74Å; K711-A713 VanDerWaalsContact C-N 3.34Å; K711-A713 PolarHBondContact O-N 3.03Å; A713-L717 WeakPolarHBondContact O-CB 3.21Å; A713-L717 PolarHBondContact O-N 3.38Å; A713-Q734 VanDerWaalsContact CA-NE2 3.28Å; A713-Q734 PolarHBondContact O-NE2 3.06Å; A713-L738 HydrophobicContact CB-CD1 4.17Å; A713-M741 HydrophobicContact CB-CE 4.3Å; A713-M741 HydrophobicContact CB-SD 4.07Å |
| 714 | L | 95.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 79 Ų | 79 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 175.4 | -177.1 | 67.1 | 0 | 0 | 0 | 112 | E692 I710 K711 E712 L717 R718 L738 | E692-L714 HydrophobicContact CG-CD1 3.73Å; E692-L714 HydrophobicContact CG-CD2 4.19Å; E692-L714 HydrophobicContact CG-CG 4.46Å; I710-L714 VanDerWaalsContact O-CB 3.24Å; I710-L714 WeakPolarHBondContact O-CB 3.5Å; I710-L714 PolarHBondContact O-N 3.47Å; K711-L714 WeakPolarHBondContact O-CB 3.42Å; K711-L714 PolarHBondContact O-N 2.92Å; E712-L714 VanDerWaalsContact C-N 3.27Å; E712-L714 PolarHBondContact O-N 2.89Å; L714-L717 HydrophobicContact CD1-CD2 4.46Å; L714-L717 WeakPolarHBondContact O-CB 3.3Å; L714-L717 PolarHBondContact O-N 2.92Å; L714-R718 WeakPolarHBondContact O-CG 3.06Å; L714-R718 PolarHBondContact O-N 3.42Å; L714-L738 HydrophobicContact CB-CD2 4.25Å; L714-L738 HydrophobicContact CD1-CD2 3.76Å |
| 715 | D | 96.5 | Very high | 93.1 | Very high | 69 Ų | 69 | 77.6 Ų | 77.6 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 177 | -70.5 | -25.8 | 0 | 0 | 0 | 111.4 | K711 E712 R718 H719 | K711-D715 PolarHBondContact O-N 3.14Å; E712-D715 PolarHBondContact O-N 3.33Å; D715-R718 WeakPolarHBondContact O-CB 3.23Å; D715-R718 PolarHBondContact O-N 2.91Å; D715-R718 IonicContact OD1-CZ 3.32Å; D715-R718 IonicContact OD1-NH1 2.8Å; D715-R718 PolarHBondContact OD1-NH1 3.44Å; D715-H719 PolarHBondContact O-N 3.35Å; D715-H719 VanDerWaalsContact O-N 3.15Å |
| 716 | E | 96.9 | Very high | 93.3 | Very high | 94 Ų | 94 | 79.6 Ų | 79.6 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 170.6 | -178.8 | 178.5 | -166.2 | 0 | 0 | 111.7 | E712 R718 H719 L720 Q734 R737 | E712-E716 WeakPolarHBondContact O-CB 3.31Å; E712-E716 PolarHBondContact O-N 3.32Å; E716-R718 VanDerWaalsContact C-N 3.33Å; E716-R718 PolarHBondContact O-N 2.84Å; E716-H719 PolarHBondContact O-N 3.25Å; E716-L720 HydrophobicContact CG-CD1 4.08Å; E716-L720 WeakPolarHBondContact O-CG 3.46Å; E716-L720 PolarHBondContact O-N 2.96Å; E716-Q734 HydrophobicContact CG-CG 4.25Å; E716-Q734 VanDerWaalsContact OE2-CD 3.27Å; E716-Q734 PolarHBondContact OE2-NE2 3.46Å; E716-Q734 PolarHBondContact OE2-OE1 2.96Å; E716-R737 IonicContact OE2-NH1 3.52Å; E716-R737 PolarHBondContact OE2-NH1 2.79Å |
| 717 | L | 97.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.4 | -175 | 72.7 | 0 | 0 | 0 | 111.7 | W660 L691 A713 L714 L720 N721 L731 Q734 A735 L738 | W660-L717 HydrophobicContact CH2-CD1 4.29Å; W660-L717 HydrophobicContact CH2-CD2 3.91Å; W660-L717 HydrophobicContact CH2-CG 4.34Å; W660-L717 HydrophobicContact CZ2-CD2 4.19Å; L691-L717 HydrophobicContact CD2-CD2 3.76Å; A713-L717 WeakPolarHBondContact O-CB 3.21Å; A713-L717 PolarHBondContact O-N 3.38Å; L714-L717 HydrophobicContact CD1-CD2 4.46Å; L714-L717 WeakPolarHBondContact O-CB 3.3Å; L714-L717 PolarHBondContact O-N 2.92Å; L717-L720 PolarHBondContact O-N 2.9Å; L717-N721 VanDerWaalsContact O-CB 3.23Å; L717-N721 WeakPolarHBondContact O-CB 3.26Å; L717-N721 PolarHBondContact O-N 3.14Å; L717-L731 HydrophobicContact CD1-CD1 3.64Å; L717-L731 HydrophobicContact CG-CD1 4.46Å; L717-Q734 HydrophobicContact CB-CG 4.02Å; L717-Q734 HydrophobicContact CD1-CB 4.09Å; L717-Q734 HydrophobicContact CD1-CG 3.99Å; L717-A735 HydrophobicContact CD1-CB 3.83Å; L717-L738 HydrophobicContact CD2-CD2 3.81Å |
| 718 | R | 96.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 71.7 Ų | 71.7 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60 | -46 | 177.5 | -74 | 165.3 | 174.3 | 168 | -8.1 | 111.7 | E692 L714 D715 E716 L720 N721 E722 | E692-R718 IonicContact OE1-CZ 3.49Å; E692-R718 VanDerWaalsContact OE1-CZ 3.27Å; E692-R718 IonicContact OE1-NE 2.87Å; E692-R718 PolarHBondContact OE1-NE 2.91Å; E692-R718 IonicContact OE1-NH2 3.63Å; E692-R718 PolarHBondContact OE1-NH2 3.02Å; E692-R718 IonicContact OE2-NH2 3.53Å; L714-R718 WeakPolarHBondContact O-CG 3.06Å; L714-R718 PolarHBondContact O-N 3.42Å; D715-R718 WeakPolarHBondContact O-CB 3.23Å; D715-R718 PolarHBondContact O-N 2.91Å; D715-R718 IonicContact OD1-CZ 3.32Å; D715-R718 IonicContact OD1-NH1 2.8Å; D715-R718 PolarHBondContact OD1-NH1 3.44Å; E716-R718 VanDerWaalsContact C-N 3.33Å; E716-R718 PolarHBondContact O-N 2.84Å; R718-L720 VanDerWaalsContact C-N 3.34Å; R718-L720 PolarHBondContact O-N 2.99Å; R718-N721 PolarHBondContact O-N 3.11Å; R718-E722 PolarHBondContact O-N 3.45Å |
| 719 | H | 96.7 | Very high | 93.9 | Very high | 124 Ų | 124 | 64.7 Ų | 64.7 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 176.4 | 177.6 | -87 | 0 | 0 | 0 | 111.6 | D715 E716 N721 E722 | D715-H719 PolarHBondContact O-N 3.35Å; D715-H719 VanDerWaalsContact O-N 3.15Å; E716-H719 PolarHBondContact O-N 3.25Å; H719-N721 VanDerWaalsContact C-N 3.26Å; H719-N721 PolarHBondContact O-N 3.01Å; H719-E722 WeakPolarHBondContact O-CG 3.4Å; H719-E722 PolarHBondContact O-N 3.34Å |
| 720 | L | 97.3 | Very high | 94.2 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.5 | -23.6 | 177 | -68.5 | 170.1 | 0 | 0 | 0 | 113.6 | E716 L717 R718 E722 N728 A730 L731 Q734 | E716-L720 HydrophobicContact CG-CD1 4.08Å; E716-L720 WeakPolarHBondContact O-CG 3.46Å; E716-L720 PolarHBondContact O-N 2.96Å; L717-L720 PolarHBondContact O-N 2.9Å; R718-L720 VanDerWaalsContact C-N 3.34Å; R718-L720 PolarHBondContact O-N 2.99Å; L720-E722 VanDerWaalsContact C-N 3.31Å; L720-N728 PolarHBondContact O-ND2 2.85Å; L720-A730 HydrophobicContact CD1-CB 4.33Å; L720-A730 HydrophobicContact CD2-CB 3.98Å; L720-L731 HydrophobicContact CB-CB 4.25Å; L720-L731 HydrophobicContact CB-CD1 4.03Å; L720-Q734 HydrophobicContact CD1-CB 3.66Å; L720-Q734 HydrophobicContact CD1-CG 4.02Å |
| 721 | N | 96.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 14.1 | -178.7 | -161.3 | 24.3 | 0 | 0 | 0 | 113.2 | N684 L717 R718 H719 L731 | N684-N721 WeakPolarHBondContact CB-OD1 3.41Å; N684-N721 PolarHBondContact O-ND2 3.37Å; L717-N721 VanDerWaalsContact O-CB 3.23Å; L717-N721 WeakPolarHBondContact O-CB 3.26Å; L717-N721 PolarHBondContact O-N 3.14Å; R718-N721 PolarHBondContact O-N 3.11Å; H719-N721 VanDerWaalsContact C-N 3.26Å; H719-N721 PolarHBondContact O-N 3.01Å; N721-L731 HydrophobicContact CB-CD1 3.83Å |
| 722 | E | 95.8 | Very high | 94.7 | Very high | 95 Ų | 95 | 56.8 Ų | 56.8 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | trans | -59.8 | 142.4 | 172.3 | -76.4 | -176.6 | 174.2 | 0 | 0 | 111.2 | R718 H719 L720 Q725 | R718-E722 PolarHBondContact O-N 3.45Å; H719-E722 WeakPolarHBondContact O-CG 3.4Å; H719-E722 PolarHBondContact O-N 3.34Å; L720-E722 VanDerWaalsContact C-N 3.31Å; E722-Q725 HydrophobicContact CB-CG 4.07Å; E722-Q725 VanDerWaalsContact O-CG 3.26Å; E722-Q725 WeakPolarHBondContact O-CG 3.46Å | ||
| 723 | P | 93.2 | Very high | 94.8 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 40% | 0.403 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 148.3 | -178.2 | -14.7 | 25.4 | 0 | 0 | 0 | 112.1 | Q725 | P723-Q725 VanDerWaalsContact C-N 3.28Å; P723-Q725 PolarHBondContact O-N 3.45Å |
| 724 | H | 89.7 | Confident | 94.9 | Very high | 130 Ų | 130 | 51.8 Ų | 51.8 | 60% | 0.602 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 15.5 | 176.4 | -42.8 | 92 | 0 | 0 | 0 | 115.3 | N681 W726 | N681-H724 PolarHBondContact ND2-N 3.49Å; N681-H724 PolarHBondContact OD1-N 2.83Å; N681-H724 VanDerWaalsContact OD1-N 3.09Å; H724-W726 HydrophobicContact CB-CZ2 4.06Å; H724-W726 AromaticContact CD2-CZ2 3.78Å; H724-W726 PolarHBondContact O-N 2.98Å; H724-W726 PolarHBondContact O-NE1 3.24Å |
| 725 | Q | 88.2 | Confident | 95 | Very high | 95 Ų | 95 | 51 Ų | 51 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | trans | -85.4 | 81 | 171.2 | -63.5 | -65.7 | -12 | 0 | 0 | 110.9 | E722 P723 N728 | E722-Q725 HydrophobicContact CB-CG 4.07Å; E722-Q725 VanDerWaalsContact O-CG 3.26Å; E722-Q725 WeakPolarHBondContact O-CG 3.46Å; P723-Q725 VanDerWaalsContact C-N 3.28Å; P723-Q725 PolarHBondContact O-N 3.45Å; Q725-N728 HydrophobicContact CB-CB 4.2Å; Q725-N728 WeakPolarHBondContact O-CB 3.33Å | ||
| 726 | W | 88.6 | Confident | 95.1 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 25% | 0.254 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 145.2 | -171.2 | -49.7 | 119.9 | 0 | 0 | 0 | 114.4 | I672 A677 E680 N681 H724 N728 | I672-W726 HydrophobicContact CD1-CB 3.41Å; I672-W726 VanDerWaalsContact CD1-CB 3.41Å; I672-W726 HydrophobicContact CD1-CD2 4.24Å; I672-W726 HydrophobicContact CD1-CG 3.53Å; I672-W726 HydrophobicContact CG1-CB 4.09Å; I672-W726 HydrophobicContact CG1-CD2 3.89Å; I672-W726 HydrophobicContact CG1-CG 3.66Å; I672-W726 HydrophobicContact CG2-CG 4.33Å; A677-W726 HydrophobicContact CB-CD2 4.26Å; A677-W726 HydrophobicContact CB-CE3 3.94Å; A677-W726 HydrophobicContact CB-CH2 3.51Å; A677-W726 HydrophobicContact CB-CZ2 3.84Å; A677-W726 HydrophobicContact CB-CZ3 3.59Å; A677-W726 VanDerWaalsContact O-CH2 3.24Å; A677-W726 WeakPolarHBondContact O-CH2 3.48Å; A677-W726 WeakPolarHBondContact O-CZ3 3.34Å; E680-W726 HydrophobicContact CB-CZ3 4.15Å; N681-W726 WeakPolarHBondContact ND2-CH2 3.32Å; H724-W726 HydrophobicContact CB-CZ2 4.06Å; H724-W726 AromaticContact CD2-CZ2 3.78Å; H724-W726 PolarHBondContact O-N 2.98Å; H724-W726 PolarHBondContact O-NE1 3.24Å; W726-N728 PolarHBondContact O-N 3.2Å; W726-N728 VanDerWaalsContact O-N 3.13Å |
| 727 | K | 87.2 | Confident | 95 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 23.6 | -177.9 | -53 | -170.8 | 175.3 | -175.7 | 0 | 112.7 | N665 S669 V729 F815 P817 | N665-K727 PolarHBondContact O-NZ 3.46Å; S669-K727 WeakPolarHBondContact OG-CE 3.36Å; S669-K727 PolarHBondContact OG-NZ 2.98Å; K727-V729 VanDerWaalsContact C-N 3.27Å; K727-V729 PolarHBondContact O-N 2.84Å; K727-F815 PolarHBondContact NZ-O 3.49Å; K727-P817 HydrophobicContact CB-CG 4.44Å |
| 728 | N | 93.1 | Very high | 95 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | trans | -74.6 | 78.3 | 179 | -175.9 | 10.1 | 0 | 0 | 0 | 110.2 | L720 Q725 W726 A730 L731 | L720-N728 PolarHBondContact O-ND2 2.85Å; Q725-N728 HydrophobicContact CB-CB 4.2Å; Q725-N728 WeakPolarHBondContact O-CB 3.33Å; W726-N728 PolarHBondContact O-N 3.2Å; W726-N728 VanDerWaalsContact O-N 3.13Å; N728-A730 PolarHBondContact O-N 3.39Å; N728-A730 WeakPolarHBondContact OD1-CB 3.39Å; N728-A730 PolarHBondContact OD1-N 3Å; N728-L731 VanDerWaalsContact O-CB 3.27Å; N728-L731 WeakPolarHBondContact O-CB 3.16Å; N728-L731 PolarHBondContact O-N 3.14Å; N728-L731 VanDerWaalsContact O-N 3.15Å | ||
| 729 | V | 96.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -18.4 | 178.6 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | V662 V664 K727 L731 T732 H733 P817 Y820 | V662-V729 HydrophobicContact CG1-CG1 4.2Å; V664-V729 HydrophobicContact CG2-CG1 3.83Å; K727-V729 VanDerWaalsContact C-N 3.27Å; K727-V729 PolarHBondContact O-N 2.84Å; V729-L731 PolarHBondContact O-N 2.74Å; V729-T732 WeakPolarHBondContact O-CB 3.36Å; V729-T732 PolarHBondContact O-N 3.29Å; V729-T732 VanDerWaalsContact O-N 3.09Å; V729-H733 PolarHBondContact O-CD2 3Å; V729-H733 PolarHBondContact O-N 3.12Å; V729-P817 HydrophobicContact CG1-CG 3.86Å; V729-P817 HydrophobicContact CG2-CB 4.14Å; V729-P817 HydrophobicContact CG2-CG 4.35Å; V729-Y820 HydrophobicContact CB-CE1 4.29Å; V729-Y820 HydrophobicContact CB-CE2 4.46Å; V729-Y820 HydrophobicContact CG1-CD2 4.25Å; V729-Y820 HydrophobicContact CG1-CE1 4.47Å; V729-Y820 HydrophobicContact CG1-CE2 3.88Å; V729-Y820 HydrophobicContact CG2-CE1 4.36Å |
| 730 | A | 97 | Very high | 94.8 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 38% | 0.38 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.6 | -34.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L720 N728 T732 H733 Q734 | L720-A730 HydrophobicContact CD1-CB 4.33Å; L720-A730 HydrophobicContact CD2-CB 3.98Å; N728-A730 PolarHBondContact O-N 3.39Å; N728-A730 WeakPolarHBondContact OD1-CB 3.39Å; N728-A730 PolarHBondContact OD1-N 3Å; A730-T732 VanDerWaalsContact C-N 3.31Å; A730-T732 PolarHBondContact O-N 2.94Å; A730-H733 PolarHBondContact O-N 3.2Å; A730-Q734 WeakPolarHBondContact O-CB 3.38Å; A730-Q734 PolarHBondContact O-N 3Å |
| 731 | L | 97.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.4 | -47.8 | 170.9 | 177.1 | 62.9 | 0 | 0 | 0 | 111.4 | W660 V662 N684 L717 L720 N721 N728 V729 Q734 A735 | W660-L731 HydrophobicContact CE3-CD1 4.4Å; W660-L731 HydrophobicContact CE3-CD2 4.37Å; W660-L731 HydrophobicContact CE3-CG 4.34Å; W660-L731 HydrophobicContact CZ3-CD1 3.94Å; W660-L731 HydrophobicContact CZ3-CD2 4.45Å; W660-L731 HydrophobicContact CZ3-CG 4.35Å; V662-L731 HydrophobicContact CG2-CD2 4.45Å; N684-L731 HydrophobicContact CB-CD2 4.19Å; L717-L731 HydrophobicContact CD1-CD1 3.64Å; L717-L731 HydrophobicContact CG-CD1 4.46Å; L720-L731 HydrophobicContact CB-CB 4.25Å; L720-L731 HydrophobicContact CB-CD1 4.03Å; N721-L731 HydrophobicContact CB-CD1 3.83Å; N728-L731 VanDerWaalsContact O-CB 3.27Å; N728-L731 WeakPolarHBondContact O-CB 3.16Å; N728-L731 PolarHBondContact O-N 3.14Å; N728-L731 VanDerWaalsContact O-N 3.15Å; V729-L731 PolarHBondContact O-N 2.74Å; L731-Q734 PolarHBondContact O-N 2.86Å; L731-A735 VanDerWaalsContact O-CB 3.3Å; L731-A735 WeakPolarHBondContact O-CB 3.27Å; L731-A735 PolarHBondContact O-N 2.94Å |
| 732 | T | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 179 | -65 | 0 | 0 | 0 | 0 | 111.6 | H577 F579 V662 V729 A730 Q734 A735 M736 | H577-T732 HydrophobicContact CB-CG2 4.08Å; F579-T732 HydrophobicContact CE1-CG2 4.12Å; F579-T732 HydrophobicContact CZ-CG2 3.82Å; V662-T732 WeakPolarHBondContact CG2-OG1 3.34Å; V729-T732 WeakPolarHBondContact O-CB 3.36Å; V729-T732 PolarHBondContact O-N 3.29Å; V729-T732 VanDerWaalsContact O-N 3.09Å; A730-T732 VanDerWaalsContact C-N 3.31Å; A730-T732 PolarHBondContact O-N 2.94Å; T732-Q734 PolarHBondContact O-N 3.12Å; T732-A735 PolarHBondContact O-N 3.19Å; T732-M736 HydrophobicContact CG2-CE 3.77Å; T732-M736 HydrophobicContact CG2-SD 4.35Å; T732-M736 WeakPolarHBondContact O-CG 3.34Å; T732-M736 PolarHBondContact O-N 2.92Å |
| 733 | H | 97.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | -179.4 | -68 | -66.3 | 0 | 0 | 0 | 112.7 | V729 A730 M736 R737 Y763 D764 L767 Y820 | V729-H733 PolarHBondContact O-CD2 3Å; V729-H733 PolarHBondContact O-N 3.12Å; A730-H733 PolarHBondContact O-N 3.2Å; H733-M736 HydrophobicContact CB-CE 4.4Å; H733-M736 WeakPolarHBondContact ND1-CE 3.26Å; H733-M736 PolarHBondContact O-N 3.42Å; H733-R737 WeakPolarHBondContact O-CB 3.5Å; H733-R737 PolarHBondContact O-N 3.44Å; H733-Y763 AromaticContact CD2-CD1 3.74Å; H733-Y763 AromaticContact CD2-CE1 3.87Å; H733-Y763 AromaticContact CE1-CD1 3.62Å; H733-Y763 AromaticContact NE2-CD1 3.34Å; H733-Y763 VanDerWaalsContact NE2-CD1 3.34Å; H733-Y763 WeakPolarHBondContact NE2-CD1 3.36Å; H733-Y763 AromaticContact NE2-CE1 3.95Å; H733-D764 IonicContact CE1-OD1 3.29Å; H733-D764 IonicContact CG-OD1 3.42Å; H733-D764 IonicContact ND1-OD1 2.86Å; H733-D764 PolarHBondContact ND1-OD1 2.79Å; H733-L767 HydrophobicContact CB-CD1 4.13Å; H733-Y820 PolarHBondContact CE1-OH 3.15Å; H733-Y820 AromaticContact NE2-CE1 3.32Å; H733-Y820 VanDerWaalsContact NE2-CE1 3.32Å; H733-Y820 WeakPolarHBondContact NE2-CE1 3.26Å; H733-Y820 AromaticContact NE2-CZ 3.45Å; H733-Y820 PolarHBondContact NE2-OH 3.1Å |
| 734 | Q | 97.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.1 | -40.8 | 176 | -172.4 | 65.3 | -4.2 | 0 | 0 | 112.1 | A713 E716 L717 L720 A730 L731 T732 R737 L738 | A713-Q734 VanDerWaalsContact CA-NE2 3.28Å; A713-Q734 PolarHBondContact O-NE2 3.06Å; E716-Q734 HydrophobicContact CG-CG 4.25Å; E716-Q734 VanDerWaalsContact OE2-CD 3.27Å; E716-Q734 PolarHBondContact OE2-NE2 3.46Å; E716-Q734 PolarHBondContact OE2-OE1 2.96Å; L717-Q734 HydrophobicContact CB-CG 4.02Å; L717-Q734 HydrophobicContact CD1-CB 4.09Å; L717-Q734 HydrophobicContact CD1-CG 3.99Å; L720-Q734 HydrophobicContact CD1-CB 3.66Å; L720-Q734 HydrophobicContact CD1-CG 4.02Å; A730-Q734 WeakPolarHBondContact O-CB 3.38Å; A730-Q734 PolarHBondContact O-N 3Å; L731-Q734 PolarHBondContact O-N 2.86Å; T732-Q734 PolarHBondContact O-N 3.12Å; Q734-R737 WeakPolarHBondContact O-CB 3.35Å; Q734-R737 PolarHBondContact O-N 2.77Å; Q734-L738 PolarHBondContact O-N 3.32Å |
| 735 | A | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | W660 L717 L731 T732 L738 C739 | W660-A735 HydrophobicContact CD2-CB 3.96Å; W660-A735 HydrophobicContact CE3-CB 4.44Å; W660-A735 HydrophobicContact CG-CB 4.36Å; W660-A735 HydrophobicContact CH2-CB 4.48Å; W660-A735 HydrophobicContact CZ2-CB 4Å; L717-A735 HydrophobicContact CD1-CB 3.83Å; L731-A735 VanDerWaalsContact O-CB 3.3Å; L731-A735 WeakPolarHBondContact O-CB 3.27Å; L731-A735 PolarHBondContact O-N 2.94Å; T732-A735 PolarHBondContact O-N 3.19Å; A735-L738 PolarHBondContact O-N 3.07Å; A735-C739 VanDerWaalsContact O-CB 3.24Å; A735-C739 WeakPolarHBondContact O-CB 3.41Å; A735-C739 PolarHBondContact O-N 3Å |
| 736 | M | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.2 | -72.6 | -174.4 | -61.9 | 0 | 0 | 111.9 | H577 T732 H733 C739 R740 V746 I748 D764 | H577-M736 WeakPolarHBondContact NE2-CG 3.37Å; T732-M736 HydrophobicContact CG2-CE 3.77Å; T732-M736 HydrophobicContact CG2-SD 4.35Å; T732-M736 WeakPolarHBondContact O-CG 3.34Å; T732-M736 PolarHBondContact O-N 2.92Å; H733-M736 HydrophobicContact CB-CE 4.4Å; H733-M736 WeakPolarHBondContact ND1-CE 3.26Å; H733-M736 PolarHBondContact O-N 3.42Å; M736-C739 WeakPolarHBondContact O-CB 3.26Å; M736-C739 PolarHBondContact O-N 2.91Å; M736-R740 WeakPolarHBondContact O-CG 3.38Å; M736-R740 PolarHBondContact O-N 3.46Å; M736-R740 VanDerWaalsContact O-N 3.08Å; M736-V746 HydrophobicContact CB-CG2 4.09Å; M736-V746 HydrophobicContact CG-CG1 3.79Å; M736-V746 HydrophobicContact CG-CG2 3.94Å; M736-V746 HydrophobicContact SD-CG1 3.56Å; M736-V746 VanDerWaalsContact SD-CG1 3.56Å; M736-I748 HydrophobicContact SD-CD1 3.71Å; M736-I748 HydrophobicContact SD-CG1 4.19Å; M736-D764 HydrophobicContact CE-CB 3.99Å; M736-D764 WeakPolarHBondContact CE-OD1 3.33Å |
| 737 | R | 95.6 | Very high | 95.9 | Very high | 68 Ų | 68 | 16.7 Ų | 16.7 | 26% | 0.257 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -59 | -52.5 | 175.4 | 177 | -175.5 | 171.7 | -156.1 | -0.2 | 111.2 | E716 H733 Q734 C739 R740 M741 | E716-R737 IonicContact OE2-NH1 3.52Å; E716-R737 PolarHBondContact OE2-NH1 2.79Å; H733-R737 WeakPolarHBondContact O-CB 3.5Å; H733-R737 PolarHBondContact O-N 3.44Å; Q734-R737 WeakPolarHBondContact O-CB 3.35Å; Q734-R737 PolarHBondContact O-N 2.77Å; R737-C739 VanDerWaalsContact C-N 3.32Å; R737-C739 PolarHBondContact O-N 2.81Å; R737-R740 PolarHBondContact O-N 3.31Å; R737-M741 HydrophobicContact CG-SD 3.98Å; R737-M741 WeakPolarHBondContact O-CG 3.29Å; R737-M741 PolarHBondContact O-N 3.11Å |
| 738 | L | 95.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | -179.6 | -175.6 | 59.2 | 0 | 0 | 0 | 111.9 | L691 I710 A713 L714 L717 Q734 A735 R740 M741 L742 | L691-L738 HydrophobicContact CD2-CB 4.48Å; L691-L738 HydrophobicContact CD2-CD2 3.72Å; L691-L738 HydrophobicContact CD2-CG 4.15Å; L691-L738 HydrophobicContact CG-CD2 4.24Å; I710-L738 HydrophobicContact CG2-CD1 3.65Å; A713-L738 HydrophobicContact CB-CD1 4.17Å; L714-L738 HydrophobicContact CB-CD2 4.25Å; L714-L738 HydrophobicContact CD1-CD2 3.76Å; L717-L738 HydrophobicContact CD2-CD2 3.81Å; Q734-L738 PolarHBondContact O-N 3.32Å; A735-L738 PolarHBondContact O-N 3.07Å; L738-R740 VanDerWaalsContact C-N 3.35Å; L738-R740 PolarHBondContact O-N 3.31Å; L738-M741 PolarHBondContact O-N 2.77Å; L738-L742 HydrophobicContact CD1-CD1 4.28Å; L738-L742 HydrophobicContact CD1-CG 4.5Å; L738-L742 HydrophobicContact CG-CD1 4.14Å; L738-L742 WeakPolarHBondContact O-CG 3.32Å; L738-L742 PolarHBondContact O-N 2.96Å; L738-L742 VanDerWaalsContact O-N 3.15Å |
| 739 | C | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -54.6 | -49.8 | 173.1 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | L573 S575 A735 M736 R737 L742 G743 G744 D745 | L573-C739 HydrophobicContact CD2-CB 4.47Å; S575-C739 WeakPolarHBondContact CB-SG 3.34Å; A735-C739 VanDerWaalsContact O-CB 3.24Å; A735-C739 WeakPolarHBondContact O-CB 3.41Å; A735-C739 PolarHBondContact O-N 3Å; M736-C739 WeakPolarHBondContact O-CB 3.26Å; M736-C739 PolarHBondContact O-N 2.91Å; R737-C739 VanDerWaalsContact C-N 3.32Å; R737-C739 PolarHBondContact O-N 2.81Å; C739-L742 CarbonylContact O-C 3.54Å; C739-L742 WeakPolarHBondContact O-CA 3.24Å; C739-L742 PolarHBondContact O-N 3.23Å; C739-L742 VanDerWaalsContact O-N 3.1Å; C739-G743 PolarHBondContact O-N 2.87Å; C739-G744 WeakPolarHBondContact O-CA 3.46Å; C739-G744 PolarHBondContact O-N 3.08Å; C739-G744 VanDerWaalsContact SG-CA 3.59Å; C739-D745 PolarHBondContact SG-O 3.06Å |
| 740 | R | 93.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 12.7 Ų | 12.7 | 20% | 0.204 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 179.4 | -68.2 | -176.5 | -172.3 | 117.1 | -7.1 | 113.1 | M310 M736 R737 L738 L742 G743 V746 D764 | M310-R740 PolarHBondContact SD-NH1 3.16Å; M736-R740 WeakPolarHBondContact O-CG 3.38Å; M736-R740 PolarHBondContact O-N 3.46Å; M736-R740 VanDerWaalsContact O-N 3.08Å; R737-R740 PolarHBondContact O-N 3.31Å; L738-R740 VanDerWaalsContact C-N 3.35Å; L738-R740 PolarHBondContact O-N 3.31Å; R740-L742 PolarHBondContact O-N 3.43Å; R740-G743 PolarHBondContact O-N 3.29Å; R740-V746 HydrophobicContact CG-CG2 4.5Å; R740-D764 IonicContact CZ-OD2 3.76Å; R740-D764 IonicContact NH1-OD2 2.72Å; R740-D764 PolarHBondContact NH1-OD2 3.46Å; R740-D764 IonicContact NH2-OD2 2.69Å; R740-D764 PolarHBondContact NH2-OD2 3.35Å; R740-D764 VanDerWaalsContact NH2-OD2 3.1Å |
| 741 | M | 92.6 | Very high | 96.6 | Very high | 48 Ų | 48 | 13.4 Ų | 13.4 | 24% | 0.236 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.8 | -24.6 | 173.2 | -68.1 | 170.5 | 72.4 | 0 | 0 | 112.4 | F705 K709 I710 A713 R737 L738 | F705-M741 WeakPolarHBondContact CE1-O 3.34Å; K709-M741 HydrophobicContact CB-CE 3.86Å; I710-M741 HydrophobicContact CB-CE 4.39Å; I710-M741 HydrophobicContact CG1-CB 4.45Å; I710-M741 HydrophobicContact CG1-CE 3.77Å; A713-M741 HydrophobicContact CB-CE 4.3Å; A713-M741 HydrophobicContact CB-SD 4.07Å; R737-M741 HydrophobicContact CG-SD 3.98Å; R737-M741 WeakPolarHBondContact O-CG 3.29Å; R737-M741 PolarHBondContact O-N 3.11Å; L738-M741 PolarHBondContact O-N 2.77Å |
| 742 | L | 94.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 19.3 | 176.9 | -64.2 | 169.3 | 0 | 0 | 0 | 112.8 | L566 L573 L691 Y694 C695 F705 I710 L738 C739 R740 G744 | L566-L742 WeakPolarHBondContact CD1-O 3.49Å; L573-L742 HydrophobicContact CD2-CB 4.01Å; L573-L742 HydrophobicContact CD2-CD1 4.45Å; L691-L742 HydrophobicContact CD1-CD1 3.82Å; Y694-L742 HydrophobicContact CD1-CD1 4.42Å; Y694-L742 HydrophobicContact CE1-CB 4.23Å; C695-L742 HydrophobicContact CB-CD1 4Å; C695-L742 HydrophobicContact CB-CD2 4.34Å; F705-L742 HydrophobicContact CE2-CD2 4.23Å; I710-L742 HydrophobicContact CD1-CD2 4.28Å; I710-L742 HydrophobicContact CG2-CD2 4.24Å; L738-L742 HydrophobicContact CD1-CD1 4.28Å; L738-L742 HydrophobicContact CD1-CG 4.5Å; L738-L742 HydrophobicContact CG-CD1 4.14Å; L738-L742 WeakPolarHBondContact O-CG 3.32Å; L738-L742 PolarHBondContact O-N 2.96Å; L738-L742 VanDerWaalsContact O-N 3.15Å; C739-L742 CarbonylContact O-C 3.54Å; C739-L742 WeakPolarHBondContact O-CA 3.24Å; C739-L742 PolarHBondContact O-N 3.23Å; C739-L742 VanDerWaalsContact O-N 3.1Å; R740-L742 PolarHBondContact O-N 3.43Å; L742-G744 PolarHBondContact O-N 2.76Å |
| 743 | G | 93.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 10.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K563 C739 R740 | K563-G743 WeakPolarHBondContact CG-O 3.18Å; K563-G743 PolarHBondContact NZ-O 3.26Å; C739-G743 PolarHBondContact O-N 2.87Å; R740-G743 PolarHBondContact O-N 3.29Å |
| 744 | G | 96.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | trans | -79 | 168.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K563 L573 C739 L742 | K563-G744 PolarHBondContact NZ-O 3.16Å; L573-G744 WeakPolarHBondContact O-CA 3.33Å; C739-G744 WeakPolarHBondContact O-CA 3.46Å; C739-G744 PolarHBondContact O-N 3.08Å; C739-G744 VanDerWaalsContact SG-CA 3.59Å; L742-G744 PolarHBondContact O-N 2.76Å | ||
| 745 | D | 98 | Very high | 95.5 | Very high | 13 Ų | 13 | 14.1 Ų | 14.1 | 7% | 0.07 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 159.7 | 177.2 | -68.6 | -70 | 0 | 0 | 0 | 111.4 | V547 V551 K563 L573 V574 S575 C739 | V547-D745 HydrophobicContact CG1-CB 3.39Å; V551-D745 WeakPolarHBondContact CG2-OD2 3.26Å; K563-D745 IonicContact NZ-OD1 3.81Å; K563-D745 PolarHBondContact NZ-OD1 2.97Å; K563-D745 IonicContact NZ-OD2 3.39Å; K563-D745 PolarHBondContact NZ-OD2 2.76Å; L573-D745 PolarHBondContact O-N 3.17Å; V574-D745 CarbonylContact C-O 3.58Å; V574-D745 WeakPolarHBondContact CA-O 3.5Å; S575-D745 PolarHBondContact N-O 3.49Å; C739-D745 PolarHBondContact SG-O 3.06Å |
| 746 | V | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128 | -170.3 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | Y312 F313 S575 M736 R740 I748 | Y312-V746 HydrophobicContact CD1-CG1 4.39Å; F313-V746 PolarHBondContact N-O 3.14Å; S575-V746 WeakPolarHBondContact O-CA 3.45Å; M736-V746 HydrophobicContact CB-CG2 4.09Å; M736-V746 HydrophobicContact CG-CG1 3.79Å; M736-V746 HydrophobicContact CG-CG2 3.94Å; M736-V746 HydrophobicContact SD-CG1 3.56Å; M736-V746 VanDerWaalsContact SD-CG1 3.56Å; R740-V746 HydrophobicContact CG-CG2 4.5Å; V746-I748 HydrophobicContact CG1-CD1 4.14Å; V746-I748 HydrophobicContact CG1-CG1 3.65Å |
| 747 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.6 | 167.7 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | F313 V547 V574 S575 L576 H577 | F313-V747 HydrophobicContact CB-CB 4.45Å; F313-V747 HydrophobicContact CB-CG1 4.4Å; F313-V747 HydrophobicContact CB-CG2 4.03Å; F313-V747 CarbonylContact O-C 3.57Å; F313-V747 WeakPolarHBondContact O-CA 3.37Å; V547-V747 HydrophobicContact CG2-CG2 3.75Å; V574-V747 HydrophobicContact CG1-CG2 3.69Å; S575-V747 PolarHBondContact O-N 3.36Å; L576-V747 CarbonylContact C-O 3.17Å; L576-V747 WeakPolarHBondContact CA-O 3.29Å; L576-V747 HydrophobicContact CD1-CB 3.79Å; L576-V747 HydrophobicContact CD1-CG1 3.58Å; H577-V747 PolarHBondContact N-O 3.45Å |
| 748 | I | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.1 | 180 | -52.7 | -175.7 | 0 | 0 | 0 | 109 | Y312 F313 T314 C315 H577 F579 M736 V746 T757 A760 V761 | Y312-I748 HydrophobicContact CD1-CD1 3.87Å; Y312-I748 HydrophobicContact CE1-CD1 4.34Å; F313-I748 PolarHBondContact O-N 3.41Å; T314-I748 VanDerWaalsContact CA-O 3.28Å; T314-I748 WeakPolarHBondContact CA-O 3.49Å; T314-I748 HydrophobicContact CG2-CB 4.22Å; C315-I748 PolarHBondContact N-O 2.76Å; C315-I748 VanDerWaalsContact N-O 3.08Å; H577-I748 CarbonylContact O-C 3.5Å; H577-I748 WeakPolarHBondContact O-CA 3.41Å; F579-I748 HydrophobicContact CD2-CG2 3.96Å; F579-I748 HydrophobicContact CE2-CG2 3.37Å; F579-I748 HydrophobicContact CZ-CG2 4.37Å; M736-I748 HydrophobicContact SD-CD1 3.71Å; M736-I748 HydrophobicContact SD-CG1 4.19Å; V746-I748 HydrophobicContact CG1-CD1 4.14Å; V746-I748 HydrophobicContact CG1-CG1 3.65Å; I748-T757 HydrophobicContact CG2-CG2 3.92Å; I748-A760 HydrophobicContact CD1-CB 4.47Å; I748-A760 HydrophobicContact CG2-CB 4.3Å; I748-V761 HydrophobicContact CD1-CG2 3.92Å |
| 749 | C | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.7 | 179.6 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | C315 L576 H577 S578 F579 | C315-C749 WeakPolarHBondContact O-CA 3.38Å; C315-C749 WeakPolarHBondContact O-CB 3.42Å; L576-C749 HydrophobicContact CD1-CB 4.46Å; H577-C749 PolarHBondContact O-N 2.79Å; S578-C749 CarbonylContact C-O 3.47Å; S578-C749 WeakPolarHBondContact CA-O 3.44Å; F579-C749 PolarHBondContact N-O 2.83Å |
| 750 | C | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | -172.4 | 167.2 | 79.3 | 0 | 0 | 0 | 0 | 108.6 | C315 G316 A317 F579 S752 G753 R756 T757 | C315-C750 PolarHBondContact O-N 2.91Å; G316-C750 CarbonylContact C-O 3.32Å; G316-C750 VanDerWaalsContact CA-O 3.28Å; G316-C750 WeakPolarHBondContact CA-O 3.43Å; A317-C750 PolarHBondContact N-O 2.88Å; F579-C750 HydrophobicContact CB-CB 4.08Å; C750-S752 PolarHBondContact O-N 2.89Å; C750-G753 PolarHBondContact SG-N 2.86Å; C750-R756 HydrophobicContact CB-CB 3.93Å; C750-T757 HydrophobicContact CB-CG2 3.95Å |
| 751 | K | 95.5 | Very high | 95.6 | Very high | 62 Ų | 62 | 9.5 Ų | 9.5 | 27% | 0.27 | 5% | 0.047 | S | C | . | . | S | Bend | trans | -52.4 | -28.8 | -179.6 | -177.5 | 167.9 | 179.8 | 163.5 | 0 | 115 | Y321 L580 E586 M589 | Y321-K751 WeakPolarHBondContact CE1-O 3.43Å; Y321-K751 PolarHBondContact OH-O 3.31Å; L580-K751 HydrophobicContact CD2-CB 4.06Å; E586-K751 HydrophobicContact CG-CD 4.21Å; E586-K751 WeakPolarHBondContact OE1-CB 3.37Å; E586-K751 WeakPolarHBondContact OE1-CD 3.37Å; M589-K751 HydrophobicContact CE-CD 4.06Å; M589-K751 HydrophobicContact CE-CG 4.05Å; M589-K751 HydrophobicContact SD-CB 4.45Å; M589-K751 HydrophobicContact SD-CG 4Å |
| 752 | S | 92.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 7.2 Ų | 7.2 | 12% | 0.119 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -138.9 | 3 | -178 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | N296 C750 K754 | N296-S752 WeakPolarHBondContact CB-O 3.29Å; N296-S752 PolarHBondContact ND2-O 3.06Å; C750-S752 PolarHBondContact O-N 2.89Å; S752-K754 PolarHBondContact O-N 3.45Å |
| 753 | G | 93.4 | Very high | 96 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | S | Bend | trans | 67 | 16.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C315 C750 T757 R793 N796 | C315-G753 WeakPolarHBondContact O-CA 3.14Å; C750-G753 PolarHBondContact SG-N 2.86Å; G753-T757 PolarHBondContact O-OG1 2.93Å; G753-R793 PolarHBondContact O-NH2 3.34Å; G753-N796 PolarHBondContact O-ND2 3.16Å |
| 754 | K | 92.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 10 Ų | 10 | 4% | 0.043 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -108.9 | -89.7 | -175.6 | -168.6 | -179.2 | 72.8 | -172.5 | 0 | 112.8 | S752 T757 S758 R793 N800 L801 | S752-K754 PolarHBondContact O-N 3.45Å; K754-T757 PolarHBondContact N-OG1 3.23Å; K754-T757 PolarHBondContact O-OG1 3.42Å; K754-S758 VanDerWaalsContact O-CB 3.32Å; K754-S758 WeakPolarHBondContact O-CB 3.09Å; K754-S758 PolarHBondContact O-N 2.76Å; K754-S758 PolarHBondContact O-OG 3.44Å; K754-R793 PolarHBondContact O-NH2 3.05Å; K754-R793 VanDerWaalsContact O-NH2 3.1Å; K754-N800 HydrophobicContact CD-CB 3.44Å; K754-N800 VanDerWaalsContact CD-CB 3.44Å; K754-L801 VanDerWaalsContact NZ-CD2 3.32Å |
| 755 | D | 91.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 10 Ų | 10 | 10% | 0.096 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -72 | -54 | -162.9 | -48.6 | -74.6 | 0 | 0 | 0 | 113 | T757 S758 M759 A807 F808 | D755-T757 PolarHBondContact O-N 3.31Å; D755-S758 WeakPolarHBondContact O-CB 3.49Å; D755-S758 PolarHBondContact O-N 2.9Å; D755-M759 WeakPolarHBondContact O-CG 3.44Å; D755-M759 PolarHBondContact O-N 3.26Å; D755-M759 VanDerWaalsContact O-N 3.11Å; D755-A807 PolarHBondContact OD1-N 2.94Å; D755-F808 HydrophobicContact CB-CD2 4.19Å; D755-F808 HydrophobicContact CB-CE1 4.47Å; D755-F808 HydrophobicContact CB-CE2 3.57Å; D755-F808 HydrophobicContact CB-CZ 3.72Å |
| 756 | R | 94.5 | Very high | 96.1 | Very high | 24 Ų | 24 | 9.3 Ų | 9.3 | 9% | 0.091 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 179.7 | -70 | 175.5 | -76.5 | -171.2 | -18.2 | 112.6 | F579 E586 V664 C750 M759 A760 F808 | F579-R756 HydrophobicContact CB-CB 4.22Å; F579-R756 PolarHBondContact O-NH1 3.01Å; E586-R756 IonicContact OE1-CZ 2.71Å; E586-R756 IonicContact OE1-NH1 3.59Å; E586-R756 PolarHBondContact OE1-NH1 3.23Å; E586-R756 IonicContact OE1-NH2 3.07Å; E586-R756 PolarHBondContact OE1-NH2 3.15Å; E586-R756 IonicContact OE2-CZ 3.29Å; E586-R756 IonicContact OE2-NH1 3.62Å; E586-R756 PolarHBondContact OE2-NH1 2.89Å; E586-R756 IonicContact OE2-NH2 3.19Å; V664-R756 WeakPolarHBondContact O-CD 3.32Å; C750-R756 HydrophobicContact CB-CB 3.93Å; R756-M759 PolarHBondContact O-N 2.91Å; R756-A760 PolarHBondContact O-N 3.2Å; R756-A760 VanDerWaalsContact O-N 3.16Å; R756-F808 HydrophobicContact CG-CE1 4.49Å; R756-F808 HydrophobicContact CG-CZ 4.47Å |
| 757 | T | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.3 | -37.1 | 176.9 | 51.4 | 0 | 0 | 0 | 0 | 111.2 | I748 C750 G753 K754 D755 M759 A760 V761 R793 | I748-T757 HydrophobicContact CG2-CG2 3.92Å; C750-T757 HydrophobicContact CB-CG2 3.95Å; G753-T757 PolarHBondContact O-OG1 2.93Å; K754-T757 PolarHBondContact N-OG1 3.23Å; K754-T757 PolarHBondContact O-OG1 3.42Å; D755-T757 PolarHBondContact O-N 3.31Å; T757-M759 VanDerWaalsContact C-N 3.34Å; T757-M759 PolarHBondContact O-N 3Å; T757-A760 PolarHBondContact O-N 3.38Å; T757-V761 WeakPolarHBondContact O-CG2 3.37Å; T757-V761 PolarHBondContact O-N 3.36Å; T757-R793 PolarHBondContact OG1-NH2 3.38Å; T757-R793 VanDerWaalsContact OG1-NH2 3.09Å |
| 758 | S | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 172.7 | -66 | 0 | 0 | 0 | 0 | 112.5 | K754 D755 A760 T762 R793 | K754-S758 VanDerWaalsContact O-CB 3.32Å; K754-S758 WeakPolarHBondContact O-CB 3.09Å; K754-S758 PolarHBondContact O-N 2.76Å; K754-S758 PolarHBondContact O-OG 3.44Å; D755-S758 WeakPolarHBondContact O-CB 3.49Å; D755-S758 PolarHBondContact O-N 2.9Å; S758-A760 VanDerWaalsContact C-N 3.3Å; S758-A760 PolarHBondContact O-N 3.49Å; S758-T762 WeakPolarHBondContact O-CB 3.5Å; S758-T762 WeakPolarHBondContact O-CG2 3.49Å; S758-T762 PolarHBondContact O-N 3.5Å; S758-T762 VanDerWaalsContact O-N 3.08Å; S758-T762 PolarHBondContact O-OG1 2.99Å; S758-R793 PolarHBondContact OG-NE 2.79Å; S758-R793 PolarHBondContact OG-NH2 3.43Å |
| 759 | M | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.8 | -36.8 | 179.8 | -61.3 | -58.9 | 103.4 | 0 | 0 | 111.8 | D755 R756 T757 T762 Y763 R788 Y806 F808 Y820 P822 | D755-M759 WeakPolarHBondContact O-CG 3.44Å; D755-M759 PolarHBondContact O-N 3.26Å; D755-M759 VanDerWaalsContact O-N 3.11Å; R756-M759 PolarHBondContact O-N 2.91Å; T757-M759 VanDerWaalsContact C-N 3.34Å; T757-M759 PolarHBondContact O-N 3Å; M759-T762 PolarHBondContact O-OG1 3.39Å; M759-Y763 VanDerWaalsContact O-CB 3.26Å; M759-Y763 WeakPolarHBondContact O-CB 3.43Å; M759-Y763 PolarHBondContact O-N 3.29Å; M759-R788 PolarHBondContact O-NH2 2.94Å; M759-Y806 HydrophobicContact CE-CD1 3.7Å; M759-Y806 HydrophobicContact CE-CD2 4.12Å; M759-Y806 HydrophobicContact CE-CE1 3.52Å; M759-Y806 HydrophobicContact CE-CE2 3.96Å; M759-Y806 HydrophobicContact CE-CG 4Å; M759-F808 HydrophobicContact CG-CE2 3.97Å; M759-F808 HydrophobicContact CG-CZ 3.99Å; M759-F808 HydrophobicContact SD-CE2 4.43Å; M759-Y820 HydrophobicContact CB-CD1 4.48Å; M759-Y820 HydrophobicContact CB-CD2 4.03Å; M759-Y820 HydrophobicContact CB-CG 3.9Å; M759-Y820 WeakPolarHBondContact CG-O 3.42Å; M759-Y820 VanDerWaalsContact SD-O 3.33Å; M759-P822 HydrophobicContact CE-CB 4.38Å; M759-P822 HydrophobicContact SD-CB 4.02Å |
| 760 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.8 | -48.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F579 I748 R756 T757 S758 Y763 D764 Y820 | F579-A760 HydrophobicContact CD2-CB 4.4Å; F579-A760 HydrophobicContact CE2-CB 3.28Å; F579-A760 HydrophobicContact CZ-CB 3.4Å; I748-A760 HydrophobicContact CD1-CB 4.47Å; I748-A760 HydrophobicContact CG2-CB 4.3Å; R756-A760 PolarHBondContact O-N 3.2Å; R756-A760 VanDerWaalsContact O-N 3.16Å; T757-A760 PolarHBondContact O-N 3.38Å; S758-A760 VanDerWaalsContact C-N 3.3Å; S758-A760 PolarHBondContact O-N 3.49Å; A760-Y763 PolarHBondContact O-N 3.5Å; A760-D764 WeakPolarHBondContact O-CB 3.23Å; A760-D764 PolarHBondContact O-N 3.4Å; A760-Y820 VanDerWaalsContact CA-CZ 3.48Å; A760-Y820 WeakPolarHBondContact CA-OH 3.45Å; A760-Y820 HydrophobicContact CB-CE1 4.48Å; A760-Y820 HydrophobicContact CB-CE2 3.8Å; A760-Y820 VanDerWaalsContact CB-OH 3.26Å; A760-Y820 WeakPolarHBondContact CB-OH 3.41Å |
| 761 | V | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.9 | -56.9 | 179 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | Q300 Y312 T314 I748 T757 Y763 D764 E765 R793 | Q300-V761 HydrophobicContact CB-CG1 4.49Å; Q300-V761 HydrophobicContact CG-CG1 4.5Å; Y312-V761 HydrophobicContact CD1-CG2 4.29Å; Y312-V761 HydrophobicContact CD2-CG1 4.35Å; Y312-V761 HydrophobicContact CE2-CG1 4.45Å; Y312-V761 HydrophobicContact CG-CG2 4.41Å; T314-V761 HydrophobicContact CG2-CG2 3.47Å; T314-V761 VanDerWaalsContact CG2-CG2 3.47Å; I748-V761 HydrophobicContact CD1-CG2 3.92Å; T757-V761 WeakPolarHBondContact O-CG2 3.37Å; T757-V761 PolarHBondContact O-N 3.36Å; V761-Y763 PolarHBondContact O-N 2.9Å; V761-D764 PolarHBondContact O-N 3.37Å; V761-E765 HydrophobicContact CG1-CG 4.17Å; V761-E765 WeakPolarHBondContact CG1-OE1 3.27Å; V761-E765 WeakPolarHBondContact O-CB 3.46Å; V761-E765 VanDerWaalsContact O-CG 3.26Å; V761-E765 WeakPolarHBondContact O-CG 3.38Å; V761-E765 PolarHBondContact O-N 3.35Å; V761-R793 HydrophobicContact CG1-CG 4.43Å |
| 762 | T | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -35.4 | -177.4 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | S758 M759 A766 L784 L787 R788 R793 | S758-T762 WeakPolarHBondContact O-CB 3.5Å; S758-T762 WeakPolarHBondContact O-CG2 3.49Å; S758-T762 PolarHBondContact O-N 3.5Å; S758-T762 VanDerWaalsContact O-N 3.08Å; S758-T762 PolarHBondContact O-OG1 2.99Å; M759-T762 PolarHBondContact O-OG1 3.39Å; T762-A766 WeakPolarHBondContact O-CB 3.42Å; T762-A766 PolarHBondContact O-N 3.16Å; T762-A766 VanDerWaalsContact O-N 3.09Å; T762-L784 VanDerWaalsContact O-CD1 3.29Å; T762-L784 WeakPolarHBondContact O-CD1 3.33Å; T762-L787 HydrophobicContact CG2-CB 4.18Å; T762-R788 HydrophobicContact CG2-CG 4.04Å; T762-R788 PolarHBondContact OG1-NE 3.35Å; T762-R793 HydrophobicContact CG2-CB 4.36Å; T762-R793 HydrophobicContact CG2-CG 4.14Å |
| 763 | Y | 97.9 | Very high | 95 | Very high | 62 Ų | 62 | 20.3 Ų | 20.3 | 24% | 0.243 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.8 | -43 | 175.9 | -171.9 | -109.4 | 0 | 0 | 0 | 112.4 | H733 M759 A760 V761 E765 A766 L767 L784 C819 Y820 | H733-Y763 AromaticContact CD2-CD1 3.74Å; H733-Y763 AromaticContact CD2-CE1 3.87Å; H733-Y763 AromaticContact CE1-CD1 3.62Å; H733-Y763 AromaticContact NE2-CD1 3.34Å; H733-Y763 VanDerWaalsContact NE2-CD1 3.34Å; H733-Y763 WeakPolarHBondContact NE2-CD1 3.36Å; H733-Y763 AromaticContact NE2-CE1 3.95Å; M759-Y763 VanDerWaalsContact O-CB 3.26Å; M759-Y763 WeakPolarHBondContact O-CB 3.43Å; M759-Y763 PolarHBondContact O-N 3.29Å; A760-Y763 PolarHBondContact O-N 3.5Å; V761-Y763 PolarHBondContact O-N 2.9Å; Y763-E765 VanDerWaalsContact C-N 3.33Å; Y763-A766 PolarHBondContact O-N 3.34Å; Y763-L767 HydrophobicContact CD1-CD1 3.86Å; Y763-L767 HydrophobicContact CD1-CG 4.27Å; Y763-L767 HydrophobicContact CE1-CD1 3.5Å; Y763-L767 HydrophobicContact CE1-CD2 4.43Å; Y763-L767 HydrophobicContact CE1-CG 4.02Å; Y763-L767 WeakPolarHBondContact O-CG 3.36Å; Y763-L767 PolarHBondContact O-N 3.34Å; Y763-L784 HydrophobicContact CD2-CD1 4.42Å; Y763-L784 HydrophobicContact CD2-CD2 3.76Å; Y763-L784 HydrophobicContact CE2-CD2 4.35Å; Y763-C819 HydrophobicContact CD2-CB 3.91Å; Y763-C819 HydrophobicContact CE1-CB 4.19Å; Y763-C819 HydrophobicContact CE2-CB 3.5Å; Y763-C819 VanDerWaalsContact CE2-CB 3.5Å; Y763-C819 HydrophobicContact CG-CB 4.43Å; Y763-Y820 HydrophobicContact CD1-CE1 4.01Å; Y763-Y820 HydrophobicContact CG-CE1 4.26Å |
| 764 | D | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.3 | -34.7 | 177.8 | -159.3 | 63.2 | 0 | 0 | 0 | 112.3 | Y312 H733 M736 R740 A760 V761 L767 F768 | Y312-D764 HydrophobicContact CE1-CB 3.95Å; Y312-D764 WeakPolarHBondContact CE1-OD2 3.14Å; Y312-D764 VanDerWaalsContact OH-C 3.25Å; Y312-D764 WeakPolarHBondContact OH-CB 3.39Å; Y312-D764 PolarHBondContact OH-OD2 3.09Å; H733-D764 IonicContact CE1-OD1 3.29Å; H733-D764 IonicContact CG-OD1 3.42Å; H733-D764 IonicContact ND1-OD1 2.86Å; H733-D764 PolarHBondContact ND1-OD1 2.79Å; M736-D764 HydrophobicContact CE-CB 3.99Å; M736-D764 WeakPolarHBondContact CE-OD1 3.33Å; R740-D764 IonicContact CZ-OD2 3.76Å; R740-D764 IonicContact NH1-OD2 2.72Å; R740-D764 PolarHBondContact NH1-OD2 3.46Å; R740-D764 IonicContact NH2-OD2 2.69Å; R740-D764 PolarHBondContact NH2-OD2 3.35Å; R740-D764 VanDerWaalsContact NH2-OD2 3.1Å; A760-D764 WeakPolarHBondContact O-CB 3.23Å; A760-D764 PolarHBondContact O-N 3.4Å; V761-D764 PolarHBondContact O-N 3.37Å; D764-L767 PolarHBondContact O-N 3.15Å; D764-F768 WeakPolarHBondContact O-CB 3.49Å; D764-F768 PolarHBondContact O-N 3.01Å |
| 765 | E | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 171.1 | -70.2 | 172.3 | 166.9 | 0 | 0 | 111.2 | V302 M310 Y312 V761 Y763 L767 F768 V769 L787 | V302-E765 HydrophobicContact CG2-CB 4.31Å; V302-E765 HydrophobicContact CG2-CG 3.57Å; V302-E765 WeakPolarHBondContact CG2-OE1 3.37Å; M310-E765 HydrophobicContact CE-CG 4.47Å; Y312-E765 HydrophobicContact CE2-CG 3.61Å; Y312-E765 PolarHBondContact OH-N 3.13Å; Y312-E765 VanDerWaalsContact OH-N 3.12Å; V761-E765 HydrophobicContact CG1-CG 4.17Å; V761-E765 WeakPolarHBondContact CG1-OE1 3.27Å; V761-E765 WeakPolarHBondContact O-CB 3.46Å; V761-E765 VanDerWaalsContact O-CG 3.26Å; V761-E765 WeakPolarHBondContact O-CG 3.38Å; V761-E765 PolarHBondContact O-N 3.35Å; Y763-E765 VanDerWaalsContact C-N 3.33Å; E765-L767 VanDerWaalsContact C-N 3.33Å; E765-L767 PolarHBondContact O-N 2.85Å; E765-F768 WeakPolarHBondContact O-CB 3.25Å; E765-F768 PolarHBondContact O-N 3.24Å; E765-V769 WeakPolarHBondContact O-CG2 3.35Å; E765-V769 PolarHBondContact O-N 3.42Å; E765-L787 HydrophobicContact CB-CD1 4.01Å |
| 766 | A | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | T762 Y763 F768 V769 Q770 T780 L784 | T762-A766 WeakPolarHBondContact O-CB 3.42Å; T762-A766 PolarHBondContact O-N 3.16Å; T762-A766 VanDerWaalsContact O-N 3.09Å; Y763-A766 PolarHBondContact O-N 3.34Å; A766-F768 PolarHBondContact O-N 3.01Å; A766-V769 PolarHBondContact O-N 2.96Å; A766-Q770 VanDerWaalsContact O-CB 3.25Å; A766-Q770 WeakPolarHBondContact O-CB 3.32Å; A766-Q770 PolarHBondContact O-N 3.36Å; A766-T780 HydrophobicContact CB-CG2 4.1Å; A766-L784 HydrophobicContact CB-CB 3.96Å; A766-L784 HydrophobicContact CB-CD1 4.09Å |
| 767 | L | 95.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -36.4 | 175.9 | -71.7 | -178.4 | 0 | 0 | 0 | 113.1 | H733 Y763 D764 E765 R771 | H733-L767 HydrophobicContact CB-CD1 4.13Å; Y763-L767 HydrophobicContact CD1-CD1 3.86Å; Y763-L767 HydrophobicContact CD1-CG 4.27Å; Y763-L767 HydrophobicContact CE1-CD1 3.5Å; Y763-L767 HydrophobicContact CE1-CD2 4.43Å; Y763-L767 HydrophobicContact CE1-CG 4.02Å; Y763-L767 WeakPolarHBondContact O-CG 3.36Å; Y763-L767 PolarHBondContact O-N 3.34Å; D764-L767 PolarHBondContact O-N 3.15Å; E765-L767 VanDerWaalsContact C-N 3.33Å; E765-L767 PolarHBondContact O-N 2.85Å; L767-R771 WeakPolarHBondContact O-CG 3.17Å; L767-R771 VanDerWaalsContact O-CZ 3.28Å; L767-R771 PolarHBondContact O-N 3.17Å; L767-R771 VanDerWaalsContact O-N 3.16Å; L767-R771 PolarHBondContact O-NH1 3.09Å |
| 768 | F | 93.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -50.2 | 175.5 | 168.5 | -103.1 | 0 | 0 | 0 | 111.2 | C308 M310 D764 E765 A766 Q770 R771 L772 | C308-F768 HydrophobicContact CB-CZ 4.23Å; M310-F768 HydrophobicContact CB-CD1 4.43Å; M310-F768 HydrophobicContact CB-CE1 4.14Å; M310-F768 HydrophobicContact CB-CE2 4.33Å; M310-F768 HydrophobicContact CB-CZ 4.09Å; M310-F768 HydrophobicContact CE-CB 3.24Å; M310-F768 HydrophobicContact CE-CD1 3.45Å; M310-F768 VanDerWaalsContact CE-CD1 3.45Å; M310-F768 HydrophobicContact CE-CD2 3.88Å; M310-F768 HydrophobicContact CE-CE1 4.21Å; M310-F768 HydrophobicContact CE-CG 3.24Å; M310-F768 HydrophobicContact SD-CB 3.83Å; M310-F768 HydrophobicContact SD-CD1 4.21Å; M310-F768 HydrophobicContact SD-CD2 3.56Å; M310-F768 VanDerWaalsContact SD-CD2 3.56Å; M310-F768 HydrophobicContact SD-CE2 4.12Å; M310-F768 HydrophobicContact SD-CG 3.6Å; M310-F768 VanDerWaalsContact SD-CG 3.6Å; D764-F768 WeakPolarHBondContact O-CB 3.49Å; D764-F768 PolarHBondContact O-N 3.01Å; E765-F768 WeakPolarHBondContact O-CB 3.25Å; E765-F768 PolarHBondContact O-N 3.24Å; A766-F768 PolarHBondContact O-N 3.01Å; F768-Q770 VanDerWaalsContact C-N 3.32Å; F768-Q770 PolarHBondContact O-N 3.39Å; F768-R771 PolarHBondContact O-N 3.16Å; F768-L772 HydrophobicContact CE1-CD2 4.22Å; F768-L772 HydrophobicContact CZ-CD2 4.25Å; F768-L772 WeakPolarHBondContact O-CB 3.4Å; F768-L772 PolarHBondContact O-N 2.85Å |
| 769 | V | 93.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | V203 L212 E765 A766 R771 L772 Y773 L775 L783 | V203-V769 HydrophobicContact CG1-CG1 3.57Å; V203-V769 HydrophobicContact CG2-CG1 4.12Å; L212-V769 HydrophobicContact CD1-CG2 3.59Å; L212-V769 HydrophobicContact CD2-CG2 4.08Å; L212-V769 HydrophobicContact CG-CG2 4.49Å; E765-V769 WeakPolarHBondContact O-CG2 3.35Å; E765-V769 PolarHBondContact O-N 3.42Å; A766-V769 PolarHBondContact O-N 2.96Å; V769-R771 VanDerWaalsContact C-N 3.33Å; V769-R771 PolarHBondContact O-N 2.75Å; V769-L772 PolarHBondContact O-N 3.22Å; V769-Y773 HydrophobicContact CG1-CD2 3.61Å; V769-Y773 HydrophobicContact CG1-CE2 3.97Å; V769-Y773 WeakPolarHBondContact O-CD2 3.05Å; V769-Y773 PolarHBondContact O-N 2.91Å; V769-L775 HydrophobicContact CG1-CD1 3.91Å; V769-L783 HydrophobicContact CB-CD2 3.68Å; V769-L783 HydrophobicContact CG1-CD2 3.56Å; V769-L783 HydrophobicContact CG2-CD2 4.12Å |
| 770 | Q | 94.9 | Very high | 95.4 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.3 | -48.5 | 173.7 | -179.7 | -176.1 | 22.1 | 0 | 0 | 111.8 | A766 F768 N774 L775 T780 | A766-Q770 VanDerWaalsContact O-CB 3.25Å; A766-Q770 WeakPolarHBondContact O-CB 3.32Å; A766-Q770 PolarHBondContact O-N 3.36Å; F768-Q770 VanDerWaalsContact C-N 3.32Å; F768-Q770 PolarHBondContact O-N 3.39Å; Q770-N774 CarbonylContact O-C 3.47Å; Q770-N774 WeakPolarHBondContact O-CA 3.31Å; Q770-N774 PolarHBondContact O-N 2.86Å; Q770-L775 HydrophobicContact CB-CB 4.38Å; Q770-L775 HydrophobicContact CG-CB 4.23Å; Q770-L775 PolarHBondContact O-N 3.08Å; Q770-T780 HydrophobicContact CB-CG2 4.05Å; Q770-T780 WeakPolarHBondContact CB-OG1 3.34Å; Q770-T780 HydrophobicContact CG-CG2 4.4Å; Q770-T780 VanDerWaalsContact CG-OG1 3.27Å; Q770-T780 WeakPolarHBondContact CG-OG1 3.33Å |
| 771 | R | 92.2 | Very high | 95.3 | Very high | 103 Ų | 103 | 44.2 Ų | 44.2 | 39% | 0.389 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.4 | -38.6 | 179.4 | -72.6 | -175.3 | -63.6 | -90.7 | -1.3 | 112.3 | L767 F768 V769 Y773 | L767-R771 WeakPolarHBondContact O-CG 3.17Å; L767-R771 VanDerWaalsContact O-CZ 3.28Å; L767-R771 PolarHBondContact O-N 3.17Å; L767-R771 VanDerWaalsContact O-N 3.16Å; L767-R771 PolarHBondContact O-NH1 3.09Å; F768-R771 PolarHBondContact O-N 3.16Å; V769-R771 VanDerWaalsContact C-N 3.33Å; V769-R771 PolarHBondContact O-N 2.75Å; R771-Y773 VanDerWaalsContact C-N 3.34Å |
| 772 | L | 90.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -39.5 | -177.3 | -174.2 | 60.7 | 0 | 0 | 0 | 111.8 | C304 C308 F768 V769 | C304-L772 HydrophobicContact CB-CD2 4.43Å; C308-L772 HydrophobicContact CB-CD1 4.45Å; C308-L772 HydrophobicContact CB-CD2 3.6Å; F768-L772 HydrophobicContact CE1-CD2 4.22Å; F768-L772 HydrophobicContact CZ-CD2 4.25Å; F768-L772 WeakPolarHBondContact O-CB 3.4Å; F768-L772 PolarHBondContact O-N 2.85Å; V769-L772 PolarHBondContact O-N 3.22Å |
| 773 | Y | 92.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -112 | 6.9 | -176.2 | -58.8 | -68.6 | 0 | 0 | 0 | 114.7 | V203 T206 V210 C304 D306 V769 R771 L775 | V203-Y773 HydrophobicContact CG1-CD2 3.93Å; V203-Y773 HydrophobicContact CG1-CE2 4.42Å; V203-Y773 HydrophobicContact CG1-CG 4.45Å; V203-Y773 HydrophobicContact CG2-CE2 4.49Å; T206-Y773 HydrophobicContact CG2-CD1 4.02Å; T206-Y773 HydrophobicContact CG2-CD2 4.49Å; T206-Y773 HydrophobicContact CG2-CG 3.87Å; V210-Y773 HydrophobicContact CB-CE1 4.37Å; V210-Y773 HydrophobicContact CG1-CE1 4.05Å; V210-Y773 HydrophobicContact CG1-CE2 3.95Å; V210-Y773 VanDerWaalsContact CG1-OH 3.23Å; V210-Y773 WeakPolarHBondContact CG1-OH 3.29Å; V210-Y773 HydrophobicContact CG2-CD1 4.26Å; V210-Y773 HydrophobicContact CG2-CE1 3.72Å; C304-Y773 WeakPolarHBondContact CB-OH 3.26Å; C304-Y773 PolarHBondContact SG-OH 3.29Å; C304-Y773 VanDerWaalsContact SG-OH 3.37Å; D306-Y773 PolarHBondContact OD1-OH 3.27Å; D306-Y773 WeakPolarHBondContact OD2-CE1 3.5Å; D306-Y773 PolarHBondContact OD2-OH 3.36Å; V769-Y773 HydrophobicContact CG1-CD2 3.61Å; V769-Y773 HydrophobicContact CG1-CE2 3.97Å; V769-Y773 WeakPolarHBondContact O-CD2 3.05Å; V769-Y773 PolarHBondContact O-N 2.91Å; R771-Y773 VanDerWaalsContact C-N 3.34Å; Y773-L775 VanDerWaalsContact C-N 3.27Å; Y773-L775 PolarHBondContact O-N 2.8Å |
| 774 | N | 93.2 | Very high | 95.1 | Very high | 145 Ų | 145 | 46.5 Ų | 46.5 | 78% | 0.775 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.5 | -174.8 | -59 | -57.9 | 0 | 0 | 0 | 113.2 | Q770 | Q770-N774 CarbonylContact O-C 3.47Å; Q770-N774 WeakPolarHBondContact O-CA 3.31Å; Q770-N774 PolarHBondContact O-N 2.86Å |
| 775 | L | 94.5 | Very high | 95 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | trans | -61.4 | 144.5 | -179.6 | -56.6 | -174.8 | 0 | 0 | 0 | 111.3 | V203 P204 E205 T206 V769 Q770 Y773 L783 | V203-L775 HydrophobicContact CG1-CD1 4.02Å; V203-L775 HydrophobicContact CG1-CD2 4.05Å; P204-L775 WeakPolarHBondContact O-CD2 3.32Å; E205-L775 HydrophobicContact CB-CD2 4.27Å; T206-L775 HydrophobicContact CG2-CD2 4.37Å; V769-L775 HydrophobicContact CG1-CD1 3.91Å; Q770-L775 HydrophobicContact CB-CB 4.38Å; Q770-L775 HydrophobicContact CG-CB 4.23Å; Q770-L775 PolarHBondContact O-N 3.08Å; Y773-L775 VanDerWaalsContact C-N 3.27Å; Y773-L775 PolarHBondContact O-N 2.8Å; L775-L783 HydrophobicContact CD1-CD2 4.23Å | ||
| 776 | S | 96.7 | Very high | 94.9 | Very high | 48 Ų | 48 | 54 Ų | 54 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | trans | -62.8 | 164.3 | 168.1 | 89.6 | 0 | 0 | 0 | 0 | 110.8 | E205 D778 G779 T780 | E205-S776 VanDerWaalsContact CD-OG 3.26Å; E205-S776 WeakPolarHBondContact OE1-CB 3.49Å; E205-S776 PolarHBondContact OE1-OG 3.27Å; E205-S776 WeakPolarHBondContact OE2-CB 3.46Å; E205-S776 PolarHBondContact OE2-N 2.97Å; E205-S776 PolarHBondContact OE2-OG 3.08Å; S776-D778 PolarHBondContact O-N 3.32Å; S776-D778 PolarHBondContact OG-N 3.21Å; S776-G779 PolarHBondContact O-N 3.41Å; S776-G779 PolarHBondContact OG-N 2.93Å; S776-T780 WeakPolarHBondContact O-CB 3.46Å; S776-T780 PolarHBondContact O-N 3.13Å; S776-T780 PolarHBondContact O-OG1 3.09Å | ||
| 777 | L | 95.3 | Very high | 94.9 | Very high | 121 Ų | 121 | 54 Ų | 54 | 63% | 0.634 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.8 | -31.7 | 174.4 | -68.3 | 175.7 | 0 | 0 | 0 | 112.1 | K781 | L777-K781 VanDerWaalsContact O-CG 3.24Å; L777-K781 WeakPolarHBondContact O-CG 3.41Å; L777-K781 PolarHBondContact O-N 2.74Å; L777-K781 VanDerWaalsContact O-N 3.1Å |
| 778 | D | 96.7 | Very high | 94.9 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -79.2 | -42.1 | -179.9 | -65.5 | -31 | 0 | 0 | 0 | 111.1 | S776 T780 K781 I782 | S776-D778 PolarHBondContact O-N 3.32Å; S776-D778 PolarHBondContact OG-N 3.21Å; D778-T780 VanDerWaalsContact C-N 3.26Å; D778-T780 PolarHBondContact O-N 3.36Å; D778-K781 PolarHBondContact O-N 3.29Å; D778-K781 VanDerWaalsContact O-N 3.16Å; D778-K781 IonicContact OD1-NZ 2.7Å; D778-K781 PolarHBondContact OD1-NZ 3.28Å; D778-I782 WeakPolarHBondContact O-CG1 3.38Å; D778-I782 PolarHBondContact O-N 3.37Å |
| 779 | G | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.6 | -41.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | P204 E205 S776 I782 L783 | P204-G779 WeakPolarHBondContact CG-O 3.1Å; E205-G779 WeakPolarHBondContact OE1-CA 3.37Å; E205-G779 PolarHBondContact OE1-N 3.32Å; S776-G779 PolarHBondContact O-N 3.41Å; S776-G779 PolarHBondContact OG-N 2.93Å; G779-I782 PolarHBondContact O-N 3.29Å; G779-L783 PolarHBondContact O-N 3.02Å |
| 780 | T | 96.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.4 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | A766 Q770 S776 D778 L784 | A766-T780 HydrophobicContact CB-CG2 4.1Å; Q770-T780 HydrophobicContact CB-CG2 4.05Å; Q770-T780 WeakPolarHBondContact CB-OG1 3.34Å; Q770-T780 HydrophobicContact CG-CG2 4.4Å; Q770-T780 VanDerWaalsContact CG-OG1 3.27Å; Q770-T780 WeakPolarHBondContact CG-OG1 3.33Å; S776-T780 WeakPolarHBondContact O-CB 3.46Å; S776-T780 PolarHBondContact O-N 3.13Å; S776-T780 PolarHBondContact O-OG1 3.09Å; D778-T780 VanDerWaalsContact C-N 3.26Å; D778-T780 PolarHBondContact O-N 3.36Å; T780-L784 WeakPolarHBondContact O-CB 3.14Å; T780-L784 PolarHBondContact O-N 3.06Å |
| 781 | K | 96.1 | Very high | 94.6 | Very high | 123 Ų | 123 | 58.4 Ų | 58.4 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 176.2 | -74.1 | 167.9 | -160.7 | 157.4 | 0 | 111.9 | L777 D778 L784 E785 | L777-K781 VanDerWaalsContact O-CG 3.24Å; L777-K781 WeakPolarHBondContact O-CG 3.41Å; L777-K781 PolarHBondContact O-N 2.74Å; L777-K781 VanDerWaalsContact O-N 3.1Å; D778-K781 PolarHBondContact O-N 3.29Å; D778-K781 VanDerWaalsContact O-N 3.16Å; D778-K781 IonicContact OD1-NZ 2.7Å; D778-K781 PolarHBondContact OD1-NZ 3.28Å; K781-L784 PolarHBondContact O-N 3.26Å; K781-E785 WeakPolarHBondContact O-CB 3.27Å; K781-E785 PolarHBondContact O-N 2.79Å |
| 782 | I | 95.8 | Very high | 94.6 | Very high | 90 Ų | 90 | 53.5 Ų | 53.5 | 46% | 0.462 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -51.4 | 177.6 | -68.5 | 165.7 | 0 | 0 | 0 | 109.4 | P204 D778 G779 L784 E785 D786 | P204-I782 HydrophobicContact CG-CB 4.38Å; P204-I782 HydrophobicContact CG-CG2 4.13Å; D778-I782 WeakPolarHBondContact O-CG1 3.38Å; D778-I782 PolarHBondContact O-N 3.37Å; G779-I782 PolarHBondContact O-N 3.29Å; I782-L784 VanDerWaalsContact C-N 3.34Å; I782-L784 PolarHBondContact O-N 2.92Å; I782-E785 PolarHBondContact O-N 3.3Å; I782-E785 VanDerWaalsContact O-N 3.17Å; I782-D786 PolarHBondContact O-N 3.25Å |
| 783 | L | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 177.5 | 177.8 | 62.7 | 0 | 0 | 0 | 112.2 | P204 L212 V769 L775 G779 E785 D786 L787 | P204-L783 HydrophobicContact CG-CB 4.18Å; L212-L783 HydrophobicContact CD2-CD1 4Å; V769-L783 HydrophobicContact CB-CD2 3.68Å; V769-L783 HydrophobicContact CG1-CD2 3.56Å; V769-L783 HydrophobicContact CG2-CD2 4.12Å; L775-L783 HydrophobicContact CD1-CD2 4.23Å; G779-L783 PolarHBondContact O-N 3.02Å; L783-E785 VanDerWaalsContact C-N 3.29Å; L783-E785 PolarHBondContact O-N 3.49Å; L783-D786 PolarHBondContact O-N 2.86Å; L783-L787 HydrophobicContact CD1-CD1 4.38Å; L783-L787 HydrophobicContact CD1-CG 4.25Å; L783-L787 HydrophobicContact CG-CD1 4.1Å; L783-L787 HydrophobicContact CG-CG 4.41Å; L783-L787 VanDerWaalsContact O-CG 3.29Å; L783-L787 WeakPolarHBondContact O-CG 3.34Å; L783-L787 PolarHBondContact O-N 3.19Å |
| 784 | L | 96.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 178.4 | 178.5 | 61.4 | 0 | 0 | 0 | 112.3 | T762 Y763 A766 T780 K781 I782 R788 | T762-L784 VanDerWaalsContact O-CD1 3.29Å; T762-L784 WeakPolarHBondContact O-CD1 3.33Å; Y763-L784 HydrophobicContact CD2-CD1 4.42Å; Y763-L784 HydrophobicContact CD2-CD2 3.76Å; Y763-L784 HydrophobicContact CE2-CD2 4.35Å; A766-L784 HydrophobicContact CB-CB 3.96Å; A766-L784 HydrophobicContact CB-CD1 4.09Å; T780-L784 WeakPolarHBondContact O-CB 3.14Å; T780-L784 PolarHBondContact O-N 3.06Å; K781-L784 PolarHBondContact O-N 3.26Å; I782-L784 VanDerWaalsContact C-N 3.34Å; I782-L784 PolarHBondContact O-N 2.92Å; L784-R788 HydrophobicContact CD1-CG 4.47Å; L784-R788 WeakPolarHBondContact O-CG 3.26Å; L784-R788 PolarHBondContact O-N 3.16Å; L784-R788 VanDerWaalsContact O-N 3.13Å |
| 785 | E | 95.4 | Very high | 94.3 | Very high | 95 Ų | 95 | 42.4 Ų | 42.4 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.7 | -46 | 176.8 | -175.6 | 160.4 | -166.5 | 0 | 0 | 110.7 | K781 I782 L783 L787 R788 R789 | K781-E785 WeakPolarHBondContact O-CB 3.27Å; K781-E785 PolarHBondContact O-N 2.79Å; I782-E785 PolarHBondContact O-N 3.3Å; I782-E785 VanDerWaalsContact O-N 3.17Å; L783-E785 VanDerWaalsContact C-N 3.29Å; L783-E785 PolarHBondContact O-N 3.49Å; E785-L787 PolarHBondContact O-N 3.44Å; E785-R788 PolarHBondContact O-N 3.16Å; E785-R788 VanDerWaalsContact O-N 3.16Å; E785-R789 HydrophobicContact CG-CG 4.21Å; E785-R789 WeakPolarHBondContact O-CB 3.38Å; E785-R789 VanDerWaalsContact O-CG 3.26Å; E785-R789 WeakPolarHBondContact O-CG 3.41Å; E785-R789 PolarHBondContact O-N 2.96Å; E785-R789 IonicContact OE1-CZ 3.02Å; E785-R789 IonicContact OE1-NE 3.33Å; E785-R789 PolarHBondContact OE1-NE 2.91Å; E785-R789 IonicContact OE1-NH2 3.91Å; E785-R789 PolarHBondContact OE1-NH2 3.15Å |
| 786 | D | 94.8 | Very high | 94 | Very high | 62 Ų | 62 | 42 Ų | 42 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 176.3 | -70.4 | -18.9 | 0 | 0 | 0 | 112 | F201 I782 L783 R788 R789 E790 | F201-D786 HydrophobicContact CD1-CB 3.91Å; F201-D786 HydrophobicContact CE1-CB 4.09Å; F201-D786 WeakPolarHBondContact CE1-O 3.22Å; I782-D786 PolarHBondContact O-N 3.25Å; L783-D786 PolarHBondContact O-N 2.86Å; D786-R788 PolarHBondContact O-N 2.96Å; D786-R789 PolarHBondContact O-N 3.35Å; D786-E790 PolarHBondContact O-N 3.45Å |
| 787 | L | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -37.5 | 176.6 | -71.7 | 172.6 | 0 | 0 | 0 | 111.9 | F201 L212 T762 E765 L783 E785 G791 | F201-L787 HydrophobicContact CD2-CD2 3.89Å; F201-L787 HydrophobicContact CE2-CD2 3.79Å; F201-L787 HydrophobicContact CG-CD2 4.42Å; F201-L787 HydrophobicContact CZ-CD2 4.22Å; L212-L787 HydrophobicContact CD2-CD2 4.13Å; T762-L787 HydrophobicContact CG2-CB 4.18Å; E765-L787 HydrophobicContact CB-CD1 4.01Å; L783-L787 HydrophobicContact CD1-CD1 4.38Å; L783-L787 HydrophobicContact CD1-CG 4.25Å; L783-L787 HydrophobicContact CG-CD1 4.1Å; L783-L787 HydrophobicContact CG-CG 4.41Å; L783-L787 VanDerWaalsContact O-CG 3.29Å; L783-L787 WeakPolarHBondContact O-CG 3.34Å; L783-L787 PolarHBondContact O-N 3.19Å; E785-L787 PolarHBondContact O-N 3.44Å; L787-G791 WeakPolarHBondContact O-CA 3.22Å; L787-G791 PolarHBondContact O-N 3.22Å |
| 788 | R | 95.5 | Very high | 92.8 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 5% | 0.045 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -80.4 | -28.3 | -179.8 | -73.4 | 178.2 | 175.8 | 170.9 | 5.5 | 113.4 | M759 T762 L784 E785 D786 Y806 C819 R821 P823 | M759-R788 PolarHBondContact O-NH2 2.94Å; T762-R788 HydrophobicContact CG2-CG 4.04Å; T762-R788 PolarHBondContact OG1-NE 3.35Å; L784-R788 HydrophobicContact CD1-CG 4.47Å; L784-R788 WeakPolarHBondContact O-CG 3.26Å; L784-R788 PolarHBondContact O-N 3.16Å; L784-R788 VanDerWaalsContact O-N 3.13Å; E785-R788 PolarHBondContact O-N 3.16Å; E785-R788 VanDerWaalsContact O-N 3.16Å; D786-R788 PolarHBondContact O-N 2.96Å; R788-Y806 WeakPolarHBondContact O-CE2 3.46Å; R788-Y806 PolarHBondContact O-OH 2.98Å; R788-C819 VanDerWaalsContact CZ-O 3.27Å; R788-C819 PolarHBondContact NH1-O 3.02Å; R788-C819 PolarHBondContact NH2-O 3.46Å; R788-R821 PolarHBondContact NH1-O 2.87Å; R788-P823 HydrophobicContact CB-CG 3.89Å |
| 789 | R | 93.4 | Very high | 91.9 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 23% | 0.234 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -86.1 | -36.9 | -178.2 | -71.6 | -176.6 | 174 | -71 | -1.6 | 113.3 | E785 D786 L794 P823 D825 L826 | E785-R789 HydrophobicContact CG-CG 4.21Å; E785-R789 WeakPolarHBondContact O-CB 3.38Å; E785-R789 VanDerWaalsContact O-CG 3.26Å; E785-R789 WeakPolarHBondContact O-CG 3.41Å; E785-R789 PolarHBondContact O-N 2.96Å; E785-R789 IonicContact OE1-CZ 3.02Å; E785-R789 IonicContact OE1-NE 3.33Å; E785-R789 PolarHBondContact OE1-NE 2.91Å; E785-R789 IonicContact OE1-NH2 3.91Å; E785-R789 PolarHBondContact OE1-NH2 3.15Å; D786-R789 PolarHBondContact O-N 3.35Å; R789-L794 WeakPolarHBondContact O-CD2 3.39Å; R789-P823 HydrophobicContact CG-CB 4.44Å; R789-P823 HydrophobicContact CG-CG 4.09Å; R789-D825 IonicContact CZ-OD1 2.87Å; R789-D825 VanDerWaalsContact CZ-OD1 3.28Å; R789-D825 IonicContact CZ-OD2 2.83Å; R789-D825 IonicContact NH1-OD1 2.85Å; R789-D825 PolarHBondContact NH1-OD1 3.18Å; R789-D825 IonicContact NH1-OD2 3.28Å; R789-D825 PolarHBondContact NH1-OD2 3.48Å; R789-D825 IonicContact NH2-OD1 2.83Å; R789-D825 PolarHBondContact NH2-OD1 3.09Å; R789-L826 HydrophobicContact CB-CD1 4.09Å; R789-L826 HydrophobicContact CG-CD1 3.73Å |
| 790 | E | 91 | Very high | 91.2 | Very high | 125 Ų | 125 | 32.4 Ų | 32.4 | 58% | 0.584 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -127.7 | -3.1 | -171.4 | -60.1 | -61.8 | 155.5 | 0 | 0 | 113.2 | R199 F201 D786 | R199-E790 VanDerWaalsContact CD-O 3.3Å; R199-E790 WeakPolarHBondContact CD-O 3.35Å; R199-E790 WeakPolarHBondContact CG-O 3.29Å; R199-E790 PolarHBondContact NE-O 2.96Å; F201-E790 HydrophobicContact CE1-CB 4Å; F201-E790 HydrophobicContact CZ-CB 4.35Å; D786-E790 PolarHBondContact O-N 3.45Å |
| 791 | G | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -75.7 | 171.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E214 L787 R793 L794 | E214-G791 WeakPolarHBondContact OE2-CA 3.22Å; L787-G791 WeakPolarHBondContact O-CA 3.22Å; L787-G791 PolarHBondContact O-N 3.22Å; G791-R793 PolarHBondContact O-N 3.35Å; G791-L794 WeakPolarHBondContact O-CB 3.42Å; G791-L794 PolarHBondContact O-N 3.41Å; G791-L794 VanDerWaalsContact O-N 3.14Å |
| 792 | T | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -28.8 | -174 | 75.7 | 0 | 0 | 0 | 0 | 112 | I197 R199 E214 M216 L794 E795 N796 | I197-T792 HydrophobicContact CG2-CG2 4.16Å; R199-T792 HydrophobicContact CB-CG2 4.12Å; R199-T792 HydrophobicContact CG-CG2 3.84Å; E214-T792 HydrophobicContact CB-CG2 4.05Å; E214-T792 HydrophobicContact CG-CG2 3.7Å; E214-T792 WeakPolarHBondContact O-CG2 3.26Å; E214-T792 WeakPolarHBondContact OE1-CB 3.22Å; E214-T792 PolarHBondContact OE1-N 2.92Å; E214-T792 PolarHBondContact OE1-OG1 2.79Å; E214-T792 PolarHBondContact OE2-N 2.92Å; M216-T792 HydrophobicContact CB-CG2 4.08Å; M216-T792 WeakPolarHBondContact CB-OG1 3.18Å; M216-T792 VanDerWaalsContact CE-O 3.23Å; M216-T792 WeakPolarHBondContact CE-O 3.5Å; T792-L794 PolarHBondContact O-N 2.78Å; T792-E795 WeakPolarHBondContact O-CA 3.41Å; T792-E795 VanDerWaalsContact O-CB 3.32Å; T792-E795 WeakPolarHBondContact O-CB 3.41Å; T792-E795 PolarHBondContact O-N 2.89Å; T792-N796 PolarHBondContact O-N 3.13Å |
| 793 | R | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -21.9 | 178.3 | -67.5 | -51.8 | -56 | -177.2 | -7.4 | 113.6 | T314 G753 K754 T757 S758 V761 T762 G791 N796 A797 | T314-R793 PolarHBondContact OG1-NH1 2.98Å; G753-R793 PolarHBondContact O-NH2 3.34Å; K754-R793 PolarHBondContact O-NH2 3.05Å; K754-R793 VanDerWaalsContact O-NH2 3.1Å; T757-R793 PolarHBondContact OG1-NH2 3.38Å; T757-R793 VanDerWaalsContact OG1-NH2 3.09Å; S758-R793 PolarHBondContact OG-NE 2.79Å; S758-R793 PolarHBondContact OG-NH2 3.43Å; V761-R793 HydrophobicContact CG1-CG 4.43Å; T762-R793 HydrophobicContact CG2-CB 4.36Å; T762-R793 HydrophobicContact CG2-CG 4.14Å; G791-R793 PolarHBondContact O-N 3.35Å; R793-N796 VanDerWaalsContact CZ-ND2 3.32Å; R793-N796 PolarHBondContact NH1-ND2 2.92Å; R793-N796 PolarHBondContact NH2-ND2 2.96Å; R793-N796 WeakPolarHBondContact O-CB 3.24Å; R793-N796 PolarHBondContact O-N 3.13Å; R793-A797 PolarHBondContact O-N 3.21Å |
| 794 | L | 90 | Very high | 87.8 | Confident | 9 Ų | 9 | 31.5 Ų | 31.5 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -74.1 | -31.3 | 171.4 | -164.5 | 63.6 | 0 | 0 | 0 | 112 | R789 G791 T792 N796 A797 Y798 R804 Y806 | R789-L794 WeakPolarHBondContact O-CD2 3.39Å; G791-L794 WeakPolarHBondContact O-CB 3.42Å; G791-L794 PolarHBondContact O-N 3.41Å; G791-L794 VanDerWaalsContact O-N 3.14Å; T792-L794 PolarHBondContact O-N 2.78Å; L794-N796 VanDerWaalsContact C-N 3.33Å; L794-A797 WeakPolarHBondContact O-CB 3.26Å; L794-A797 PolarHBondContact O-N 2.8Å; L794-Y798 PolarHBondContact O-N 2.97Å; L794-R804 VanDerWaalsContact CD1-C 3.46Å; L794-R804 HydrophobicContact CD1-CB 4.19Å; L794-R804 WeakPolarHBondContact CD1-O 3.11Å; L794-R804 HydrophobicContact CD2-CB 3.84Å; L794-R804 HydrophobicContact CD2-CG 4.35Å; L794-R804 HydrophobicContact CG-CB 3.68Å; L794-R804 HydrophobicContact CG-CG 4.08Å; L794-Y806 HydrophobicContact CD1-CD2 4.41Å; L794-Y806 HydrophobicContact CD1-CE1 4.42Å; L794-Y806 HydrophobicContact CD1-CE2 3.9Å |
| 795 | E | 86.4 | Confident | 87.3 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -32.5 | 171.6 | -60.5 | -61 | 152.2 | 0 | 0 | 111.7 | I197 R199 M216 T792 A797 Y798 K799 R804 | I197-E795 HydrophobicContact CD1-CB 3.87Å; I197-E795 HydrophobicContact CD1-CG 4.26Å; I197-E795 HydrophobicContact CG2-CG 4.24Å; R199-E795 IonicContact CZ-OE1 2.9Å; R199-E795 IonicContact NH2-OE1 3.84Å; R199-E795 PolarHBondContact NH2-OE1 2.84Å; M216-E795 HydrophobicContact CE-CB 4.22Å; T792-E795 WeakPolarHBondContact O-CA 3.41Å; T792-E795 VanDerWaalsContact O-CB 3.32Å; T792-E795 WeakPolarHBondContact O-CB 3.41Å; T792-E795 PolarHBondContact O-N 2.89Å; E795-A797 VanDerWaalsContact C-N 3.29Å; E795-A797 PolarHBondContact O-N 3.45Å; E795-Y798 WeakPolarHBondContact O-CB 3.32Å; E795-Y798 PolarHBondContact O-N 3.18Å; E795-K799 WeakPolarHBondContact O-CG 3.37Å; E795-K799 PolarHBondContact O-N 3.4Å; E795-R804 IonicContact OE1-CZ 3.5Å; E795-R804 IonicContact OE1-NE 2.76Å; E795-R804 PolarHBondContact OE1-NE 3.04Å; E795-R804 IonicContact OE1-NH2 3.73Å; E795-R804 PolarHBondContact OE1-NH2 3.31Å; E795-R804 VanDerWaalsContact OE1-NH2 3.13Å; E795-R804 IonicContact OE2-CZ 3.15Å; E795-R804 IonicContact OE2-NE 3.79Å; E795-R804 PolarHBondContact OE2-NE 3.3Å; E795-R804 IonicContact OE2-NH2 3.77Å; E795-R804 PolarHBondContact OE2-NH2 2.77Å |
| 796 | N | 88 | Confident | 87.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 170.6 | -175.7 | 24.3 | 0 | 0 | 0 | 111.1 | M216 H298 G753 T792 R793 L794 Y798 K799 N800 | M216-N796 HydrophobicContact CE-CB 4.16Å; M216-N796 HydrophobicContact SD-CB 4.16Å; H298-N796 PolarHBondContact NE2-OD1 2.95Å; G753-N796 PolarHBondContact O-ND2 3.16Å; T792-N796 PolarHBondContact O-N 3.13Å; R793-N796 VanDerWaalsContact CZ-ND2 3.32Å; R793-N796 PolarHBondContact NH1-ND2 2.92Å; R793-N796 PolarHBondContact NH2-ND2 2.96Å; R793-N796 WeakPolarHBondContact O-CB 3.24Å; R793-N796 PolarHBondContact O-N 3.13Å; L794-N796 VanDerWaalsContact C-N 3.33Å; N796-Y798 VanDerWaalsContact C-N 3.34Å; N796-Y798 PolarHBondContact O-N 3.36Å; N796-K799 PolarHBondContact O-N 2.88Å; N796-N800 WeakPolarHBondContact O-CB 3.27Å; N796-N800 PolarHBondContact O-N 3.16Å; N796-N800 PolarHBondContact O-ND2 3.1Å; N796-N800 PolarHBondContact OD1-ND2 3.17Å |
| 797 | A | 84.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R793 L794 E795 N800 L801 A803 R805 | R793-A797 PolarHBondContact O-N 3.21Å; L794-A797 WeakPolarHBondContact O-CB 3.26Å; L794-A797 PolarHBondContact O-N 2.8Å; E795-A797 VanDerWaalsContact C-N 3.29Å; E795-A797 PolarHBondContact O-N 3.45Å; A797-N800 PolarHBondContact O-N 2.81Å; A797-L801 WeakPolarHBondContact O-CB 3.49Å; A797-L801 PolarHBondContact O-N 2.99Å; A797-A803 CarbonylContact C-O 3.41Å; A797-R805 WeakPolarHBondContact CB-O 3.42Å |
| 798 | Y | 83.7 | Confident | 86.2 | Confident | 51 Ų | 51 | 29.3 Ų | 29.3 | 20% | 0.2 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 176 | -177.6 | -107 | 0 | 0 | 0 | 112.9 | G159 F160 L794 E795 N796 N800 L801 G802 A803 R804 | G159-Y798 PolarHBondContact O-OH 2.88Å; F160-Y798 HydrophobicContact CD2-CE1 4.36Å; L794-Y798 PolarHBondContact O-N 2.97Å; E795-Y798 WeakPolarHBondContact O-CB 3.32Å; E795-Y798 PolarHBondContact O-N 3.18Å; N796-Y798 VanDerWaalsContact C-N 3.34Å; N796-Y798 PolarHBondContact O-N 3.36Å; Y798-N800 PolarHBondContact O-N 2.86Å; Y798-N800 VanDerWaalsContact O-N 3.16Å; Y798-L801 PolarHBondContact O-N 3.12Å; Y798-G802 VanDerWaalsContact CD2-C 3.42Å; Y798-G802 WeakPolarHBondContact CD2-O 3.41Å; Y798-G802 WeakPolarHBondContact CE2-O 3.34Å; Y798-G802 VanDerWaalsContact O-CA 3.25Å; Y798-G802 WeakPolarHBondContact O-CA 3.5Å; Y798-G802 PolarHBondContact O-N 3.32Å; Y798-A803 VanDerWaalsContact CA-O 3.31Å; Y798-A803 WeakPolarHBondContact CA-O 3.47Å; Y798-A803 PolarHBondContact N-O 3.12Å; Y798-R804 HydrophobicContact CD2-CG 4.19Å; Y798-R804 HydrophobicContact CG-CG 4.24Å |
| 799 | K | 77.8 | Confident | 85.8 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.3 | -35.6 | 176.7 | -72.2 | 177.9 | -179.2 | -175.5 | 0 | 112.7 | F160 E218 F279 E795 N796 | F160-K799 HydrophobicContact CD2-CG 4.21Å; F160-K799 HydrophobicContact CE2-CG 4Å; E218-K799 IonicContact OE1-NZ 2.78Å; E218-K799 PolarHBondContact OE1-NZ 3.48Å; F279-K799 HydrophobicContact CE1-CB 4.16Å; F279-K799 HydrophobicContact CZ-CB 4.23Å; F279-K799 HydrophobicContact CZ-CD 4.43Å; E795-K799 WeakPolarHBondContact O-CG 3.37Å; E795-K799 PolarHBondContact O-N 3.4Å; N796-K799 PolarHBondContact O-N 2.88Å |
| 800 | N | 80.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -86.8 | -25.3 | -177.1 | -83.2 | -88.9 | 0 | 0 | 0 | 115.1 | S282 L283 N296 K754 N796 A797 Y798 | S282-N800 WeakPolarHBondContact CA-OD1 3.44Å; S282-N800 WeakPolarHBondContact CB-OD1 3.15Å; S282-N800 PolarHBondContact N-OD1 3.16Å; S282-N800 PolarHBondContact OG-OD1 3.17Å; L283-N800 WeakPolarHBondContact CD1-O 3.46Å; L283-N800 WeakPolarHBondContact CG-O 3.45Å; N296-N800 PolarHBondContact ND2-ND2 2.98Å; N296-N800 PolarHBondContact ND2-OD1 3.25Å; N296-N800 PolarHBondContact OD1-ND2 3.35Å; N296-N800 PolarHBondContact OD1-OD1 3.24Å; N296-N800 VanDerWaalsContact OD1-OD1 3.13Å; K754-N800 HydrophobicContact CD-CB 3.44Å; K754-N800 VanDerWaalsContact CD-CB 3.44Å; N796-N800 WeakPolarHBondContact O-CB 3.27Å; N796-N800 PolarHBondContact O-N 3.16Å; N796-N800 PolarHBondContact O-ND2 3.1Å; N796-N800 PolarHBondContact OD1-ND2 3.17Å; A797-N800 PolarHBondContact O-N 2.81Å; Y798-N800 PolarHBondContact O-N 2.86Å; Y798-N800 VanDerWaalsContact O-N 3.16Å |
| 801 | L | 74.8 | Confident | 85.3 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 36% | 0.356 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -125.7 | -11.2 | -169.6 | -62.9 | 173.3 | 0 | 0 | 0 | 113.5 | K754 A797 Y798 A803 R805 A807 | K754-L801 VanDerWaalsContact NZ-CD2 3.32Å; A797-L801 WeakPolarHBondContact O-CB 3.49Å; A797-L801 PolarHBondContact O-N 2.99Å; Y798-L801 PolarHBondContact O-N 3.12Å; L801-A803 PolarHBondContact O-N 3.16Å; L801-R805 WeakPolarHBondContact CD1-O 3.45Å; L801-A807 HydrophobicContact CD1-CB 3.97Å |
| 802 | G | 74.8 | Confident | 85.1 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 45% | 0.454 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 71 | 9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y798 | Y798-G802 VanDerWaalsContact CD2-C 3.42Å; Y798-G802 WeakPolarHBondContact CD2-O 3.41Å; Y798-G802 WeakPolarHBondContact CE2-O 3.34Å; Y798-G802 VanDerWaalsContact O-CA 3.25Å; Y798-G802 WeakPolarHBondContact O-CA 3.5Å; Y798-G802 PolarHBondContact O-N 3.32Å |
| 803 | A | 78.2 | Confident | 85 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -145.1 | 141.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A797 Y798 L801 R805 L830 | A797-A803 CarbonylContact C-O 3.41Å; Y798-A803 VanDerWaalsContact CA-O 3.31Å; Y798-A803 WeakPolarHBondContact CA-O 3.47Å; Y798-A803 PolarHBondContact N-O 3.12Å; L801-A803 PolarHBondContact O-N 3.16Å; A803-R805 PolarHBondContact O-N 3.17Å; A803-L830 HydrophobicContact CB-CD1 3.69Å; A803-L830 HydrophobicContact CB-CD2 4.35Å; A803-L830 HydrophobicContact CB-CG 4.25Å |
| 804 | R | 84.7 | Confident | 84.8 | Confident | 81 Ų | 81 | 50.6 Ų | 50.6 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -75.4 | 62 | 175.7 | -74.4 | -173.8 | -175.6 | 85.6 | 13.2 | 111 | L794 E795 Y798 | L794-R804 VanDerWaalsContact CD1-C 3.46Å; L794-R804 HydrophobicContact CD1-CB 4.19Å; L794-R804 WeakPolarHBondContact CD1-O 3.11Å; L794-R804 HydrophobicContact CD2-CB 3.84Å; L794-R804 HydrophobicContact CD2-CG 4.35Å; L794-R804 HydrophobicContact CG-CB 3.68Å; L794-R804 HydrophobicContact CG-CG 4.08Å; E795-R804 IonicContact OE1-CZ 3.5Å; E795-R804 IonicContact OE1-NE 2.76Å; E795-R804 PolarHBondContact OE1-NE 3.04Å; E795-R804 IonicContact OE1-NH2 3.73Å; E795-R804 PolarHBondContact OE1-NH2 3.31Å; E795-R804 VanDerWaalsContact OE1-NH2 3.13Å; E795-R804 IonicContact OE2-CZ 3.15Å; E795-R804 IonicContact OE2-NE 3.79Å; E795-R804 PolarHBondContact OE2-NE 3.3Å; E795-R804 IonicContact OE2-NH2 3.77Å; E795-R804 PolarHBondContact OE2-NH2 2.77Å; Y798-R804 HydrophobicContact CD2-CG 4.19Å; Y798-R804 HydrophobicContact CG-CG 4.24Å |
| 805 | R | 86.6 | Confident | 84.8 | Confident | 77 Ų | 77 | 54 Ų | 54 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -144.3 | 138 | 177.7 | -65.4 | -176 | 75.3 | 152.5 | 2.8 | 110.9 | A797 L801 A803 D825 L826 Y827 | A797-R805 WeakPolarHBondContact CB-O 3.42Å; L801-R805 WeakPolarHBondContact CD1-O 3.45Å; A803-R805 PolarHBondContact O-N 3.17Å; R805-D825 PolarHBondContact NH2-O 3.02Å; R805-L826 CarbonylContact C-O 3.59Å; R805-L826 WeakPolarHBondContact CA-O 3.42Å; R805-Y827 PolarHBondContact NH2-O 2.93Å |
| 806 | Y | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 136.2 | 173.8 | -56.9 | -71.7 | 0 | 0 | 0 | 110.8 | M759 R788 L794 F808 P822 L826 Y827 G828 | M759-Y806 HydrophobicContact CE-CD1 3.7Å; M759-Y806 HydrophobicContact CE-CD2 4.12Å; M759-Y806 HydrophobicContact CE-CE1 3.52Å; M759-Y806 HydrophobicContact CE-CE2 3.96Å; M759-Y806 HydrophobicContact CE-CG 4Å; R788-Y806 WeakPolarHBondContact O-CE2 3.46Å; R788-Y806 PolarHBondContact O-OH 2.98Å; L794-Y806 HydrophobicContact CD1-CD2 4.41Å; L794-Y806 HydrophobicContact CD1-CE1 4.42Å; L794-Y806 HydrophobicContact CD1-CE2 3.9Å; Y806-F808 PolarHBondContact O-N 2.87Å; Y806-P822 HydrophobicContact CD2-CB 3.77Å; Y806-P822 HydrophobicContact CG-CB 4.21Å; Y806-L826 HydrophobicContact CD2-CB 4.25Å; Y806-L826 HydrophobicContact CE2-CB 4.48Å; Y806-L826 PolarHBondContact N-O 2.96Å; Y806-Y827 VanDerWaalsContact O-CA 3.22Å; Y806-Y827 WeakPolarHBondContact O-CA 3.47Å; Y806-Y827 WeakPolarHBondContact O-CB 3.37Å; Y806-G828 PolarHBondContact O-N 3.19Å |
| 807 | A | 85.1 | Confident | 85.3 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | trans | -83.2 | 41 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D755 L801 | D755-A807 PolarHBondContact OD1-N 2.94Å; L801-A807 HydrophobicContact CD1-CB 3.97Å | ||
| 808 | F | 87.2 | Confident | 85.7 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | trans | -88.3 | 128.8 | 169.3 | -64.7 | -84.1 | 0 | 0 | 0 | 110.1 | D755 R756 M759 Y806 I813 V816 P822 Y827 G828 | D755-F808 HydrophobicContact CB-CD2 4.19Å; D755-F808 HydrophobicContact CB-CE1 4.47Å; D755-F808 HydrophobicContact CB-CE2 3.57Å; D755-F808 HydrophobicContact CB-CZ 3.72Å; R756-F808 HydrophobicContact CG-CE1 4.49Å; R756-F808 HydrophobicContact CG-CZ 4.47Å; M759-F808 HydrophobicContact CG-CE2 3.97Å; M759-F808 HydrophobicContact CG-CZ 3.99Å; M759-F808 HydrophobicContact SD-CE2 4.43Å; Y806-F808 PolarHBondContact O-N 2.87Å; F808-I813 HydrophobicContact CB-CD1 3.67Å; F808-I813 HydrophobicContact CG-CD1 4.26Å; F808-V816 HydrophobicContact CD1-CG2 4.19Å; F808-V816 HydrophobicContact CE1-CG2 3.94Å; F808-P822 HydrophobicContact CB-CG 4.34Å; F808-P822 HydrophobicContact CD2-CB 4.25Å; F808-P822 HydrophobicContact CD2-CG 3.59Å; F808-P822 HydrophobicContact CE2-CG 4.12Å; F808-P822 HydrophobicContact CG-CG 4.16Å; F808-Y827 HydrophobicContact CB-CG 4.46Å; F808-Y827 WeakPolarHBondContact O-CD2 3.32Å; F808-G828 WeakPolarHBondContact O-CA 3.42Å; F808-G828 PolarHBondContact O-N 2.58Å; F808-G828 VanDerWaalsContact O-N 3.16Å | ||
| 809 | K | 86 | Confident | 86.2 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | trans | -76.8 | 146.1 | 167.5 | -60.9 | -179 | -179.9 | -179.9 | 0 | 108.7 | R811 Q812 | K809-R811 HydrophobicContact CB-CG 4.09Å; K809-R811 PolarHBondContact O-N 3.2Å; K809-R811 VanDerWaalsContact O-N 3.09Å; K809-Q812 HydrophobicContact CB-CG 4.15Å; K809-Q812 WeakPolarHBondContact O-CA 3.46Å; K809-Q812 VanDerWaalsContact O-CB 3.32Å; K809-Q812 WeakPolarHBondContact O-CB 3.49Å; K809-Q812 PolarHBondContact O-N 3.39Å | ||
| 810 | R | 86.9 | Confident | 87 | Confident | 201 Ų | 201 | 57.8 Ų | 57.8 | 76% | 0.758 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -51.4 | -38.8 | 178.6 | -166.8 | 171.2 | -175.1 | 156.9 | 3.4 | 113.4 | Q812 I813 Y827 | R810-Q812 PolarHBondContact O-N 3.26Å; R810-I813 PolarHBondContact O-N 2.87Å; R810-Y827 HydrophobicContact CB-CE2 4.16Å; R810-Y827 HydrophobicContact CG-CE2 4.34Å |
| 811 | R | 86.9 | Confident | 87.7 | Confident | 183 Ų | 183 | 62.7 Ų | 62.7 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -66.4 | -17.5 | 175.4 | 64.8 | 178.6 | 178.1 | -120.9 | 11.3 | 115.3 | K809 F815 | K809-R811 HydrophobicContact CB-CG 4.09Å; K809-R811 PolarHBondContact O-N 3.2Å; K809-R811 VanDerWaalsContact O-N 3.09Å; R811-F815 WeakPolarHBondContact O-CD2 3.31Å; R811-F815 WeakPolarHBondContact O-CE2 3.32Å |
| 812 | Q | 87.9 | Confident | 88.6 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 19% | 0.187 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -87.5 | -24.6 | 178.3 | -65.6 | 174.1 | -62.1 | 0 | 0 | 112.1 | K809 R810 P814 F815 | K809-Q812 HydrophobicContact CB-CG 4.15Å; K809-Q812 WeakPolarHBondContact O-CA 3.46Å; K809-Q812 VanDerWaalsContact O-CB 3.32Å; K809-Q812 WeakPolarHBondContact O-CB 3.49Å; K809-Q812 PolarHBondContact O-N 3.39Å; R810-Q812 PolarHBondContact O-N 3.26Å; Q812-P814 VanDerWaalsContact C-CD 3.5Å; Q812-F815 WeakPolarHBondContact O-CB 3.21Å; Q812-F815 PolarHBondContact O-N 3.42Å |
| 813 | I | 90.1 | Very high | 89.5 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -55.4 | -42.1 | -175.8 | -58.2 | -63.5 | 0 | 0 | 0 | 113.4 | F808 R810 F815 V816 R821 P822 Y827 | F808-I813 HydrophobicContact CB-CD1 3.67Å; F808-I813 HydrophobicContact CG-CD1 4.26Å; R810-I813 PolarHBondContact O-N 2.87Å; I813-F815 PolarHBondContact O-N 2.9Å; I813-F815 VanDerWaalsContact O-N 3.14Å; I813-V816 PolarHBondContact O-N 3.08Å; I813-V816 VanDerWaalsContact O-N 3.08Å; I813-R821 HydrophobicContact CG2-CG 4.07Å; I813-P822 HydrophobicContact CD1-CG 3.8Å; I813-Y827 HydrophobicContact CD1-CD1 4.05Å; I813-Y827 HydrophobicContact CD1-CD2 4.07Å; I813-Y827 HydrophobicContact CD1-CE1 3.93Å; I813-Y827 HydrophobicContact CD1-CE2 4.04Å; I813-Y827 HydrophobicContact CD1-CG 4.1Å; I813-Y827 HydrophobicContact CG1-CD2 4.22Å; I813-Y827 HydrophobicContact CG1-CE1 4.15Å; I813-Y827 HydrophobicContact CG1-CE2 3.75Å |
| 814 | P | 90.7 | Very high | 89.9 | Confident | 91 Ų | 91 | 65.5 Ų | 65.5 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -61.5 | -22.4 | 176.8 | -25.1 | 36.2 | 0 | 0 | 0 | 114.2 | Q812 | Q812-P814 VanDerWaalsContact C-CD 3.5Š|
| 815 | F | 89.8 | Confident | 90 | Very high | 80 Ų | 80 | 65.9 Ų | 65.9 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -88 | -4.1 | 179.5 | -59.7 | -84.6 | 0 | 0 | 0 | 113.5 | H666 K727 R811 Q812 I813 | H666-F815 HydrophobicContact CB-CB 4.27Å; H666-F815 HydrophobicContact CB-CD1 4.15Å; H666-F815 HydrophobicContact CB-CD2 3.97Å; H666-F815 HydrophobicContact CB-CE2 4.34Å; H666-F815 HydrophobicContact CB-CG 3.86Å; K727-F815 PolarHBondContact NZ-O 3.49Å; R811-F815 WeakPolarHBondContact O-CD2 3.31Å; R811-F815 WeakPolarHBondContact O-CE2 3.32Å; Q812-F815 WeakPolarHBondContact O-CB 3.21Å; Q812-F815 PolarHBondContact O-N 3.42Å; I813-F815 PolarHBondContact O-N 2.9Å; I813-F815 VanDerWaalsContact O-N 3.14Å |
| 816 | V | 91.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -99.3 | 134.7 | 177.1 | -177.2 | 0 | 0 | 0 | 0 | 109 | V664 F808 I813 Y820 R821 | V664-V816 HydrophobicContact CG1-CG1 4.12Å; F808-V816 HydrophobicContact CD1-CG2 4.19Å; F808-V816 HydrophobicContact CE1-CG2 3.94Å; I813-V816 PolarHBondContact O-N 3.08Å; I813-V816 VanDerWaalsContact O-N 3.08Å; V816-Y820 WeakPolarHBondContact CG1-O 3.48Å; V816-R821 PolarHBondContact O-NE 3.5Å |
| 817 | P | 92.8 | Very high | 90 | Very high | 14 Ų | 14 | 64.8 Ų | 64.8 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | trans | -51.1 | 142.1 | 174.8 | -27.8 | 35.2 | 0 | 0 | 0 | 111.6 | V664 K727 V729 C819 Y820 R821 | V664-P817 HydrophobicContact CG1-CG 4.34Å; K727-P817 HydrophobicContact CB-CG 4.44Å; V729-P817 HydrophobicContact CG1-CG 3.86Å; V729-P817 HydrophobicContact CG2-CB 4.14Å; V729-P817 HydrophobicContact CG2-CG 4.35Å; P817-C819 VanDerWaalsContact C-N 3.28Å; P817-C819 PolarHBondContact O-N 2.8Å; P817-Y820 WeakPolarHBondContact O-CA 3.36Å; P817-Y820 PolarHBondContact O-N 3.32Å; P817-R821 PolarHBondContact O-N 2.79Å | ||
| 818 | P | 93.1 | Very high | 89.6 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 62% | 0.623 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -50.3 | -44.1 | -176.2 | -30 | 36 | 0 | 0 | 0 | 114.3 | Y820 R821 | P818-Y820 PolarHBondContact O-N 3.28Å; P818-R821 PolarHBondContact O-N 2.83Å |
| 819 | C | 94.5 | Very high | 88.4 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 22% | 0.223 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -64.7 | -23.2 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | Y763 R788 P817 | Y763-C819 HydrophobicContact CD2-CB 3.91Å; Y763-C819 HydrophobicContact CE1-CB 4.19Å; Y763-C819 HydrophobicContact CE2-CB 3.5Å; Y763-C819 VanDerWaalsContact CE2-CB 3.5Å; Y763-C819 HydrophobicContact CG-CB 4.43Å; R788-C819 VanDerWaalsContact CZ-O 3.27Å; R788-C819 PolarHBondContact NH1-O 3.02Å; R788-C819 PolarHBondContact NH2-O 3.46Å; P817-C819 VanDerWaalsContact C-N 3.28Å; P817-C819 PolarHBondContact O-N 2.8Å |
| 820 | Y | 95.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -96.8 | 7 | 179.6 | -85.5 | 29 | 0 | 0 | 0 | 113 | F579 V664 V729 H733 M759 A760 Y763 V816 P817 P818 | F579-Y820 HydrophobicContact CD1-CE2 4.36Å; F579-Y820 AromaticContact CE1-CE2 3.74Å; F579-Y820 HydrophobicContact CE1-CE2 3.74Å; F579-Y820 HydrophobicContact CE2-CE2 4.46Å; F579-Y820 AromaticContact CZ-CE2 3.8Å; F579-Y820 HydrophobicContact CZ-CE2 3.8Å; F579-Y820 WeakPolarHBondContact CZ-OH 3.37Å; V664-Y820 HydrophobicContact CG1-CD2 4.21Å; V729-Y820 HydrophobicContact CB-CE1 4.29Å; V729-Y820 HydrophobicContact CB-CE2 4.46Å; V729-Y820 HydrophobicContact CG1-CD2 4.25Å; V729-Y820 HydrophobicContact CG1-CE1 4.47Å; V729-Y820 HydrophobicContact CG1-CE2 3.88Å; V729-Y820 HydrophobicContact CG2-CE1 4.36Å; H733-Y820 PolarHBondContact CE1-OH 3.15Å; H733-Y820 AromaticContact NE2-CE1 3.32Å; H733-Y820 VanDerWaalsContact NE2-CE1 3.32Å; H733-Y820 WeakPolarHBondContact NE2-CE1 3.26Å; H733-Y820 AromaticContact NE2-CZ 3.45Å; H733-Y820 PolarHBondContact NE2-OH 3.1Å; M759-Y820 HydrophobicContact CB-CD1 4.48Å; M759-Y820 HydrophobicContact CB-CD2 4.03Å; M759-Y820 HydrophobicContact CB-CG 3.9Å; M759-Y820 WeakPolarHBondContact CG-O 3.42Å; M759-Y820 VanDerWaalsContact SD-O 3.33Å; A760-Y820 VanDerWaalsContact CA-CZ 3.48Å; A760-Y820 WeakPolarHBondContact CA-OH 3.45Å; A760-Y820 HydrophobicContact CB-CE1 4.48Å; A760-Y820 HydrophobicContact CB-CE2 3.8Å; A760-Y820 VanDerWaalsContact CB-OH 3.26Å; A760-Y820 WeakPolarHBondContact CB-OH 3.41Å; Y763-Y820 HydrophobicContact CD1-CE1 4.01Å; Y763-Y820 HydrophobicContact CG-CE1 4.26Å; V816-Y820 WeakPolarHBondContact CG1-O 3.48Å; P817-Y820 WeakPolarHBondContact O-CA 3.36Å; P817-Y820 PolarHBondContact O-N 3.32Å; P818-Y820 PolarHBondContact O-N 3.28Å |
| 821 | R | 94.4 | Very high | 84.3 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 39% | 0.389 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 130.6 | 178.3 | -66.8 | 179.6 | -176.7 | 165 | 2.7 | 110.3 | R788 I813 V816 P817 P818 | R788-R821 PolarHBondContact NH1-O 2.87Å; I813-R821 HydrophobicContact CG2-CG 4.07Å; V816-R821 PolarHBondContact O-NE 3.5Å; P817-R821 PolarHBondContact O-N 2.79Å; P818-R821 PolarHBondContact O-N 2.83Å |
| 822 | P | 94.1 | Very high | 81.6 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.039 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -66 | 158.3 | 170.5 | 30.9 | -39 | 0 | 0 | 0 | 111.1 | M759 Y806 F808 I813 Y827 | M759-P822 HydrophobicContact CE-CB 4.38Å; M759-P822 HydrophobicContact SD-CB 4.02Å; Y806-P822 HydrophobicContact CD2-CB 3.77Å; Y806-P822 HydrophobicContact CG-CB 4.21Å; F808-P822 HydrophobicContact CB-CG 4.34Å; F808-P822 HydrophobicContact CD2-CB 4.25Å; F808-P822 HydrophobicContact CD2-CG 3.59Å; F808-P822 HydrophobicContact CE2-CG 4.12Å; F808-P822 HydrophobicContact CG-CG 4.16Å; I813-P822 HydrophobicContact CD1-CG 3.8Å; P822-Y827 HydrophobicContact CB-CD1 4.13Å; P822-Y827 HydrophobicContact CG-CD1 3.5Å; P822-Y827 VanDerWaalsContact CG-CD1 3.5Å; P822-Y827 HydrophobicContact CG-CE1 4.29Å; P822-Y827 HydrophobicContact CG-CG 3.94Å |
| 823 | P | 93.2 | Very high | 81.2 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 10% | 0.104 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 142.9 | 173.2 | -22.7 | 34.2 | 0 | 0 | 0 | 112.4 | R788 R789 D825 L826 Y827 | R788-P823 HydrophobicContact CB-CG 3.89Å; R789-P823 HydrophobicContact CG-CB 4.44Å; R789-P823 HydrophobicContact CG-CG 4.09Å; P823-D825 VanDerWaalsContact C-N 3.29Å; P823-D825 PolarHBondContact O-N 2.83Å; P823-L826 HydrophobicContact CB-CB 4.3Å; P823-L826 HydrophobicContact CB-CD1 4.23Å; P823-L826 HydrophobicContact CB-CG 4.41Å; P823-L826 HydrophobicContact CG-CD1 4.16Å; P823-L826 PolarHBondContact O-N 2.77Å; P823-Y827 WeakPolarHBondContact O-CD1 3.19Å |
| 824 | E | 86.5 | Confident | 80.8 | Confident | 163 Ų | 163 | 71.3 Ų | 71.3 | 76% | 0.762 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36 | -167.6 | -69.4 | -160.5 | 157.7 | 0 | 0 | 115.4 | Y827 | E824-Y827 WeakPolarHBondContact O-CE1 3.24Š|
| 825 | D | 87 | Confident | 80.2 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -12.5 | -178.6 | 56.1 | -57.5 | 0 | 0 | 0 | 113.6 | R789 R805 P823 | R789-D825 IonicContact CZ-OD1 2.87Å; R789-D825 VanDerWaalsContact CZ-OD1 3.28Å; R789-D825 IonicContact CZ-OD2 2.83Å; R789-D825 IonicContact NH1-OD1 2.85Å; R789-D825 PolarHBondContact NH1-OD1 3.18Å; R789-D825 IonicContact NH1-OD2 3.28Å; R789-D825 PolarHBondContact NH1-OD2 3.48Å; R789-D825 IonicContact NH2-OD1 2.83Å; R789-D825 PolarHBondContact NH2-OD1 3.09Å; R805-D825 PolarHBondContact NH2-O 3.02Å; P823-D825 VanDerWaalsContact C-N 3.29Å; P823-D825 PolarHBondContact O-N 2.83Å |
| 826 | L | 88.8 | Confident | 79.7 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -104 | 11.4 | -173 | -68.5 | -177.7 | 0 | 0 | 0 | 114.9 | R789 R805 Y806 P823 | R789-L826 HydrophobicContact CB-CD1 4.09Å; R789-L826 HydrophobicContact CG-CD1 3.73Å; R805-L826 CarbonylContact C-O 3.59Å; R805-L826 WeakPolarHBondContact CA-O 3.42Å; Y806-L826 HydrophobicContact CD2-CB 4.25Å; Y806-L826 HydrophobicContact CE2-CB 4.48Å; Y806-L826 PolarHBondContact N-O 2.96Å; P823-L826 HydrophobicContact CB-CB 4.3Å; P823-L826 HydrophobicContact CB-CD1 4.23Å; P823-L826 HydrophobicContact CB-CG 4.41Å; P823-L826 HydrophobicContact CG-CD1 4.16Å; P823-L826 PolarHBondContact O-N 2.77Å |
| 827 | Y | 87.6 | Confident | 79 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 11% | 0.11 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 159 | 171.4 | 67.6 | -99.4 | 0 | 0 | 0 | 113.3 | R805 Y806 F808 R810 I813 P822 P823 E824 | R805-Y827 PolarHBondContact NH2-O 2.93Å; Y806-Y827 VanDerWaalsContact O-CA 3.22Å; Y806-Y827 WeakPolarHBondContact O-CA 3.47Å; Y806-Y827 WeakPolarHBondContact O-CB 3.37Å; F808-Y827 HydrophobicContact CB-CG 4.46Å; F808-Y827 WeakPolarHBondContact O-CD2 3.32Å; R810-Y827 HydrophobicContact CB-CE2 4.16Å; R810-Y827 HydrophobicContact CG-CE2 4.34Å; I813-Y827 HydrophobicContact CD1-CD1 4.05Å; I813-Y827 HydrophobicContact CD1-CD2 4.07Å; I813-Y827 HydrophobicContact CD1-CE1 3.93Å; I813-Y827 HydrophobicContact CD1-CE2 4.04Å; I813-Y827 HydrophobicContact CD1-CG 4.1Å; I813-Y827 HydrophobicContact CG1-CD2 4.22Å; I813-Y827 HydrophobicContact CG1-CE1 4.15Å; I813-Y827 HydrophobicContact CG1-CE2 3.75Å; P822-Y827 HydrophobicContact CB-CD1 4.13Å; P822-Y827 HydrophobicContact CG-CD1 3.5Å; P822-Y827 VanDerWaalsContact CG-CD1 3.5Å; P822-Y827 HydrophobicContact CG-CE1 4.29Å; P822-Y827 HydrophobicContact CG-CG 3.94Å; P823-Y827 WeakPolarHBondContact O-CD1 3.19Å; E824-Y827 WeakPolarHBondContact O-CE1 3.24Å |
| 828 | G | 78 | Confident | 78 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 118.9 | -171.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y806 F808 | Y806-G828 PolarHBondContact O-N 3.19Å; F808-G828 WeakPolarHBondContact O-CA 3.42Å; F808-G828 PolarHBondContact O-N 2.58Å; F808-G828 VanDerWaalsContact O-N 3.16Å |
| 829 | S | 60.6 | Low | 77 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 53% | 0.531 | 42% | 0.415 | S | S | . | . | trans | -87.7 | 143.5 | 178.3 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | M831 | S829-M831 WeakPolarHBondContact OG-CA 3.37Å; S829-M831 WeakPolarHBondContact OG-CB 3.43Å; S829-M831 PolarHBondContact OG-N 2.96Å; S829-M831 PolarHBondContact OG-O 2.85Å | ||
| 830 | L | 52.5 | Low | 75.6 | Confident | 125 Ų | 125 | 79.7 Ų | 79.7 | 65% | 0.654 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -67.6 | -26.2 | 165 | -77.4 | 157.9 | 0 | 0 | 0 | 112.1 | A803 T832 | A803-L830 HydrophobicContact CB-CD1 3.69Å; A803-L830 HydrophobicContact CB-CD2 4.35Å; A803-L830 HydrophobicContact CB-CG 4.25Å; L830-T832 PolarHBondContact O-N 3.14Å; L830-T832 VanDerWaalsContact O-N 3.15Å |
| 831 | M | 34.9 | Very low | 73.9 | Confident | 170 Ų | 170 | 86.3 Ų | 86.3 | 84% | 0.837 | 47% | 0.465 | S | S | * | . | trans | -81.7 | 90.3 | 172.3 | -61.1 | -172.7 | 177.2 | 0 | 0 | 108.2 | S829 | S829-M831 WeakPolarHBondContact OG-CA 3.37Å; S829-M831 WeakPolarHBondContact OG-CB 3.43Å; S829-M831 PolarHBondContact OG-N 2.96Å; S829-M831 PolarHBondContact OG-O 2.85Å | ||
| 832 | T | 29.7 | Very low | 72.1 | Confident | 205 Ų | 205 | 84.7 Ų | 84.7 | 100% | 1.258 | 47% | 0.472 | S | S | * | . | trans | -81.4 | 0 | 140.2 | 42.9 | 0 | 0 | 0 | 0 | 109 | L830 | L830-T832 PolarHBondContact O-N 3.14Å; L830-T832 VanDerWaalsContact O-N 3.15Å |
Retrieved 832 of 832 residues in 912.5 ms
(Link to these results)