| 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 | 34.2 | Very low | 60.6 | Low | 245 Ų | 245 | 115.5 Ų | 115.5 | 100% | 1.207 | 62% | 0.624 | S | S | * | * | 0 | 115.3 | 0 | -65.3 | -177.5 | -158.2 | 0 | 0 | 107.1 | R3 | M1-R3 PolarHBondContact O-N 3.11Š| |||
| 2 | S | 32.8 | Very low | 63.5 | Low | 117 Ų | 117 | 115.3 Ų | 115.3 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | trans | -68.7 | 128.3 | -175.4 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | G4 | S2-G4 PolarHBondContact O-N 3.16Š| ||
| 3 | R | 36.4 | Very low | 66.1 | Low | 244 Ų | 244 | 106.7 Ų | 106.7 | 92% | 0.921 | 57% | 0.567 | S | S | * | * | trans | -58.1 | 110.7 | 165.4 | -77.4 | 177.9 | 173.2 | 176.8 | -3.3 | 107.7 | M1 V5 | M1-R3 PolarHBondContact O-N 3.11Å; R3-V5 PolarHBondContact O-N 3.27Å | ||
| 4 | G | 40 | Very low | 68.3 | Low | 69 Ų | 69 | 99.1 Ų | 99.1 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 130.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S2 M6 | S2-G4 PolarHBondContact O-N 3.16Å; G4-M6 PolarHBondContact O-N 2.75Å |
| 5 | V | 50.7 | Low | 70.3 | Confident | 135 Ų | 135 | 94.2 Ų | 94.2 | 82% | 0.818 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 116.5 | 173.5 | 179 | 0 | 0 | 0 | 0 | 107.2 | R3 Q7 | R3-V5 PolarHBondContact O-N 3.27Å; V5-Q7 PolarHBondContact O-N 3.36Å |
| 6 | M | 59.9 | Low | 72.1 | Confident | 81 Ų | 81 | 93 Ų | 93 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 116.9 | 175.3 | -172.6 | -179.2 | -179.6 | 0 | 0 | 108.3 | G4 P8 Q11 T111 A114 | G4-M6 PolarHBondContact O-N 2.75Å; M6-P8 VanDerWaalsContact O-CD 3.25Å; M6-P8 WeakPolarHBondContact O-CD 3.44Å; M6-Q11 HydrophobicContact CE-CG 4.02Å; M6-T111 HydrophobicContact CE-CG2 3.62Å; M6-A114 HydrophobicContact CE-CB 4.09Å; M6-A114 HydrophobicContact SD-CB 3.91Å |
| 7 | Q | 71.7 | Confident | 73.6 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | trans | -86.9 | 108.9 | 175.7 | -72.7 | -174.8 | -1 | 0 | 0 | 109.1 | V5 S9 Q10 Q11 | V5-Q7 PolarHBondContact O-N 3.36Å; Q7-S9 PolarHBondContact O-N 2.77Å; Q7-Q10 HydrophobicContact CB-CB 4.47Å; Q7-Q10 PolarHBondContact O-N 3.36Å; Q7-Q10 VanDerWaalsContact OE1-OE1 3.09Å; Q7-Q11 PolarHBondContact O-NE2 3.05Å | ||
| 8 | P | 78.9 | Confident | 75 | Confident | 53 Ų | 53 | 86 Ų | 86 | 34% | 0.344 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -66.5 | -33.2 | -172.4 | -24.7 | 38 | 0 | 0 | 0 | 114.1 | M6 Q10 Q11 V497 | M6-P8 VanDerWaalsContact O-CD 3.25Å; M6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-Q10 VanDerWaalsContact C-N 3.27Å; P8-Q10 PolarHBondContact O-N 2.8Å; P8-Q11 WeakPolarHBondContact O-CG 3.1Å; P8-Q11 PolarHBondContact O-N 3.13Å; P8-V497 HydrophobicContact CB-CB 4.09Å; P8-V497 HydrophobicContact CB-CG1 4.27Å; P8-V497 HydrophobicContact CB-CG2 3.68Å |
| 9 | S | 80.3 | Confident | 76.2 | Confident | 52 Ų | 52 | 87.4 Ų | 87.4 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -69.2 | -20.9 | 179.9 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | Q7 Y494 | Q7-S9 PolarHBondContact O-N 2.77Å; S9-Y494 VanDerWaalsContact O-CE1 3.24Å; S9-Y494 WeakPolarHBondContact O-CE1 3.45Å |
| 10 | Q | 89.4 | Confident | 77.3 | Confident | 134 Ų | 134 | 84.1 Ų | 84.1 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -95.8 | 7.1 | 180 | -64.2 | -171.1 | -9.5 | 0 | 0 | 113.9 | Q7 P8 K12 | Q7-Q10 HydrophobicContact CB-CB 4.47Å; Q7-Q10 PolarHBondContact O-N 3.36Å; Q7-Q10 VanDerWaalsContact OE1-OE1 3.09Å; P8-Q10 VanDerWaalsContact C-N 3.27Å; P8-Q10 PolarHBondContact O-N 2.8Å; Q10-K12 VanDerWaalsContact C-N 3.26Å; Q10-K12 PolarHBondContact O-N 3.47Å |
| 11 | Q | 91.9 | Very high | 78.3 | Confident | 37 Ų | 37 | 80.7 Ų | 80.7 | 17% | 0.173 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -74.2 | -15.3 | -177.7 | -62 | -54.7 | -45.3 | 0 | 0 | 114.1 | M6 Q7 P8 L13 K16 T111 | M6-Q11 HydrophobicContact CE-CG 4.02Å; Q7-Q11 PolarHBondContact O-NE2 3.05Å; P8-Q11 WeakPolarHBondContact O-CG 3.1Å; P8-Q11 PolarHBondContact O-N 3.13Å; Q11-L13 VanDerWaalsContact C-N 3.31Å; Q11-L13 HydrophobicContact CB-CD2 3.96Å; Q11-L13 HydrophobicContact CB-CG 4.13Å; Q11-L13 PolarHBondContact O-N 3.46Å; Q11-K16 WeakPolarHBondContact O-CE 3.46Å; Q11-T111 HydrophobicContact CB-CG2 4.18Å; Q11-T111 HydrophobicContact CG-CG2 4.1Å |
| 12 | K | 96.3 | Very high | 81.4 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | trans | 52.8 | 45.1 | 178.5 | -57.3 | -171.2 | 71.2 | 178.2 | 0 | 113.1 | Q10 A14 E15 K16 | Q10-K12 VanDerWaalsContact C-N 3.26Å; Q10-K12 PolarHBondContact O-N 3.47Å; K12-A14 VanDerWaalsContact C-N 3.32Å; K12-A14 PolarHBondContact O-N 3.06Å; K12-E15 WeakPolarHBondContact CA-OE2 3.5Å; K12-E15 WeakPolarHBondContact CB-OE2 3.13Å; K12-E15 PolarHBondContact O-N 3.2Å; K12-K16 WeakPolarHBondContact O-CB 3.48Å; K12-K16 WeakPolarHBondContact O-CG 3.38Å; K12-K16 PolarHBondContact O-N 2.99Å | ||
| 13 | L | 96.9 | Very high | 84.5 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | -175.8 | -59.2 | -179.4 | 0 | 0 | 0 | 111.4 | Q11 K16 L17 L108 T111 I112 V117 A493 V497 | Q11-L13 VanDerWaalsContact C-N 3.31Å; Q11-L13 HydrophobicContact CB-CD2 3.96Å; Q11-L13 HydrophobicContact CB-CG 4.13Å; Q11-L13 PolarHBondContact O-N 3.46Å; L13-K16 PolarHBondContact O-N 3.27Å; L13-L17 VanDerWaalsContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CB 2.98Å; L13-L17 WeakPolarHBondContact O-CG 3.28Å; L13-L17 PolarHBondContact O-N 3.4Å; L13-L108 HydrophobicContact CD2-CD1 3.78Å; L13-T111 HydrophobicContact CD2-CG2 4.11Å; L13-I112 HydrophobicContact CD2-CG1 4.07Å; L13-V117 HydrophobicContact CD1-CG2 4.01Å; L13-A493 HydrophobicContact CB-CB 3.97Å; L13-A493 HydrophobicContact CD1-CB 4.48Å; L13-V497 HydrophobicContact CD1-CG1 4.31Å |
| 14 | A | 97.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.5 | -53.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K12 L17 T18 F489 R490 | K12-A14 VanDerWaalsContact C-N 3.32Å; K12-A14 PolarHBondContact O-N 3.06Å; A14-L17 PolarHBondContact O-N 3.03Å; A14-T18 PolarHBondContact O-N 3.26Å; A14-T18 PolarHBondContact O-OG1 2.99Å; A14-T18 VanDerWaalsContact O-OG1 3.07Å; A14-F489 HydrophobicContact CB-CB 4.18Å; A14-F489 HydrophobicContact CB-CD1 4.05Å; A14-F489 HydrophobicContact CB-CD2 3.75Å; A14-F489 HydrophobicContact CB-CE1 4.36Å; A14-F489 HydrophobicContact CB-CE2 4.01Å; A14-F489 HydrophobicContact CB-CG 3.72Å; A14-F489 HydrophobicContact CB-CZ 4.33Å; A14-R490 HydrophobicContact CB-CG 4.08Å |
| 15 | E | 98.3 | Very high | 90.2 | Very high | 25 Ų | 25 | 59.4 Ų | 59.4 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | -179 | -62.5 | 92.6 | 152.9 | 0 | 0 | 112.7 | K12 L17 T18 I19 R490 | K12-E15 WeakPolarHBondContact CA-OE2 3.5Å; K12-E15 WeakPolarHBondContact CB-OE2 3.13Å; K12-E15 PolarHBondContact O-N 3.2Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 2.9Å; E15-T18 PolarHBondContact O-N 3.4Å; E15-I19 WeakPolarHBondContact O-CB 3.42Å; E15-I19 WeakPolarHBondContact O-CD1 3.4Å; E15-I19 VanDerWaalsContact O-CG1 3.26Å; E15-I19 WeakPolarHBondContact O-CG1 3.34Å; E15-I19 PolarHBondContact O-N 3.32Å; E15-R490 IonicContact OE1-CZ 3.41Å; E15-R490 IonicContact OE1-NE 3.88Å; E15-R490 PolarHBondContact OE1-NE 3.05Å; E15-R490 IonicContact OE1-NH2 2.85Å; E15-R490 PolarHBondContact OE1-NH2 3.15Å; E15-R490 VanDerWaalsContact OE1-NH2 3.11Å |
| 16 | K | 98.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 53 Ų | 53 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 179.7 | -71.5 | -179 | 178.7 | -177.7 | 0 | 111.2 | Q11 K12 L13 L20 L108 | Q11-K16 WeakPolarHBondContact O-CE 3.46Å; K12-K16 WeakPolarHBondContact O-CB 3.48Å; K12-K16 WeakPolarHBondContact O-CG 3.38Å; K12-K16 PolarHBondContact O-N 2.99Å; L13-K16 PolarHBondContact O-N 3.27Å; K16-L20 VanDerWaalsContact O-CB 3.27Å; K16-L20 WeakPolarHBondContact O-CB 3.36Å; K16-L20 VanDerWaalsContact O-CG 3.26Å; K16-L20 WeakPolarHBondContact O-CG 3.45Å; K16-L20 PolarHBondContact O-N 2.92Å; K16-L108 HydrophobicContact CB-CD1 4.07Å; K16-L108 HydrophobicContact CB-CD2 3.94Å; K16-L108 HydrophobicContact CD-CD1 3.97Å |
| 17 | L | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.6 | -77.5 | 171.8 | 0 | 0 | 0 | 111.8 | L13 A14 E15 N21 L108 I112 L127 N130 L134 F489 | L13-L17 VanDerWaalsContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CB 2.98Å; L13-L17 WeakPolarHBondContact O-CG 3.28Å; L13-L17 PolarHBondContact O-N 3.4Å; A14-L17 PolarHBondContact O-N 3.03Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 2.9Å; L17-N21 WeakPolarHBondContact O-CB 3.44Å; L17-N21 PolarHBondContact O-N 3.37Å; L17-N21 PolarHBondContact O-ND2 3.42Å; L17-L108 HydrophobicContact CD2-CD2 3.74Å; L17-L108 HydrophobicContact CG-CD2 4Å; L17-I112 HydrophobicContact CD2-CD1 4.47Å; L17-L127 HydrophobicContact CD1-CD1 3.67Å; L17-N130 HydrophobicContact CB-CB 4.05Å; L17-N130 HydrophobicContact CD1-CB 4.34Å; L17-L134 HydrophobicContact CD2-CB 4.45Å; L17-L134 HydrophobicContact CD2-CD2 3.84Å; L17-F489 HydrophobicContact CB-CZ 3.99Å; L17-F489 HydrophobicContact CD1-CE2 4.27Å; L17-F489 HydrophobicContact CD1-CZ 3.98Å |
| 18 | T | 97.9 | Very high | 95.6 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -50.5 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | A14 E15 D22 F489 | A14-T18 PolarHBondContact O-N 3.26Å; A14-T18 PolarHBondContact O-OG1 2.99Å; A14-T18 VanDerWaalsContact O-OG1 3.07Å; E15-T18 PolarHBondContact O-N 3.4Å; T18-D22 PolarHBondContact O-N 2.97Å; T18-F489 WeakPolarHBondContact OG1-CE1 3.37Å |
| 19 | I | 98.4 | Very high | 96.5 | Very high | 113 Ų | 113 | 42.1 Ų | 42.1 | 58% | 0.579 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65.9 | -43.4 | -176.9 | -66.4 | 165.8 | 0 | 0 | 0 | 111.2 | E15 R23 | E15-I19 WeakPolarHBondContact O-CB 3.42Å; E15-I19 WeakPolarHBondContact O-CD1 3.4Å; E15-I19 VanDerWaalsContact O-CG1 3.26Å; E15-I19 WeakPolarHBondContact O-CG1 3.34Å; E15-I19 PolarHBondContact O-N 3.32Å; I19-R23 VanDerWaalsContact O-CB 3.3Å; I19-R23 WeakPolarHBondContact O-CB 3.36Å; I19-R23 PolarHBondContact O-N 3.27Å |
| 20 | L | 98.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.6 | -35.2 | -178.4 | -70 | 176.7 | 0 | 0 | 0 | 112.4 | K16 R23 G24 F101 H104 V105 L108 L134 | K16-L20 VanDerWaalsContact O-CB 3.27Å; K16-L20 WeakPolarHBondContact O-CB 3.36Å; K16-L20 VanDerWaalsContact O-CG 3.26Å; K16-L20 WeakPolarHBondContact O-CG 3.45Å; K16-L20 PolarHBondContact O-N 2.92Å; L20-R23 PolarHBondContact O-N 3.23Å; L20-G24 PolarHBondContact O-N 3.19Å; L20-F101 HydrophobicContact CB-CE2 4.29Å; L20-F101 HydrophobicContact CD2-CD2 4.23Å; L20-F101 HydrophobicContact CD2-CE2 4.32Å; L20-F101 VanDerWaalsContact O-CE2 3.27Å; L20-F101 WeakPolarHBondContact O-CE2 3.41Å; L20-H104 HydrophobicContact CD1-CB 4.2Å; L20-H104 HydrophobicContact CD2-CB 3.84Å; L20-V105 HydrophobicContact CD1-CG2 4.47Å; L20-L108 HydrophobicContact CD1-CB 4.42Å; L20-L108 HydrophobicContact CD1-CD2 3.8Å; L20-L134 HydrophobicContact CB-CD1 3.78Å; L20-L134 HydrophobicContact CB-CD2 4.25Å; L20-L134 HydrophobicContact CD1-CD2 4.32Å |
| 21 | N | 98.5 | Very high | 97.8 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 174.4 | -85.8 | -51.2 | 0 | 0 | 0 | 111.7 | L17 G24 I25 N130 D133 L134 | L17-N21 WeakPolarHBondContact O-CB 3.44Å; L17-N21 PolarHBondContact O-N 3.37Å; L17-N21 PolarHBondContact O-ND2 3.42Å; N21-G24 PolarHBondContact O-N 3.41Å; N21-I25 WeakPolarHBondContact O-CG1 3.49Å; N21-I25 PolarHBondContact O-N 3.19Å; N21-I25 VanDerWaalsContact O-N 3.12Å; N21-N130 PolarHBondContact ND2-O 3.46Å; N21-N130 PolarHBondContact ND2-OD1 3.3Å; N21-D133 VanDerWaalsContact OD1-C 3.31Å; N21-L134 WeakPolarHBondContact OD1-CA 3.49Å; N21-L134 WeakPolarHBondContact OD1-CB 3.1Å; N21-L134 PolarHBondContact OD1-N 3.36Å |
| 22 | D | 98 | Very high | 98.1 | Very high | 78 Ų | 78 | 33.7 Ų | 33.7 | 42% | 0.417 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.8 | -50.1 | 175.6 | -176 | 74.8 | 0 | 0 | 0 | 111.6 | T18 G24 I25 G26 H579 | T18-D22 PolarHBondContact O-N 2.97Å; D22-G24 PolarHBondContact O-N 2.85Å; D22-I25 PolarHBondContact O-N 3.44Å; D22-I25 VanDerWaalsContact O-N 3.08Å; D22-G26 PolarHBondContact O-N 2.95Å; D22-G26 VanDerWaalsContact O-N 3.09Å; D22-H579 PolarHBondContact O-NE2 3.25Å; D22-H579 IonicContact OD1-NE2 3.98Å; D22-H579 PolarHBondContact OD1-NE2 3.34Å; D22-H579 IonicContact OD2-CE1 3.62Å; D22-H579 IonicContact OD2-NE2 3.94Å |
| 23 | R | 98 | Very high | 98.2 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 28% | 0.279 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -54.6 | -41 | 175.2 | -176.9 | 59.3 | 175.4 | -171.3 | 2.4 | 112 | I19 L20 G26 M27 D97 F101 L581 | I19-R23 VanDerWaalsContact O-CB 3.3Å; I19-R23 WeakPolarHBondContact O-CB 3.36Å; I19-R23 PolarHBondContact O-N 3.27Å; L20-R23 PolarHBondContact O-N 3.23Å; R23-G26 PolarHBondContact O-N 3.05Å; R23-M27 WeakPolarHBondContact O-CG 3.43Å; R23-M27 PolarHBondContact O-N 3.37Å; R23-D97 IonicContact NH2-OD1 2.63Å; R23-D97 PolarHBondContact NH2-OD1 3.24Å; R23-D97 VanDerWaalsContact NH2-OD1 3.1Å; R23-D97 IonicContact NH2-OD2 3.1Å; R23-F101 HydrophobicContact CB-CD2 4.47Å; R23-F101 HydrophobicContact CG-CD2 4.07Å; R23-L581 VanDerWaalsContact CD-CD1 3.4Å; R23-L581 VanDerWaalsContact NH1-CD1 3.28Å; R23-L581 VanDerWaalsContact NH1-CD2 3.31Å |
| 24 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L20 N21 D22 G26 M27 L28 | L20-G24 PolarHBondContact O-N 3.19Å; N21-G24 PolarHBondContact O-N 3.41Å; D22-G24 PolarHBondContact O-N 2.85Å; G24-G26 VanDerWaalsContact C-N 3.35Å; G24-M27 PolarHBondContact O-N 3.28Å; G24-L28 WeakPolarHBondContact O-CG 3.4Å; G24-L28 PolarHBondContact O-N 3.42Å |
| 25 | I | 98.3 | Very high | 98.2 | Very high | 77 Ų | 77 | 32.4 Ų | 32.4 | 40% | 0.395 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 172.9 | -64.9 | 169.5 | 0 | 0 | 0 | 110.3 | N21 D22 M27 L28 T29 | N21-I25 WeakPolarHBondContact O-CG1 3.49Å; N21-I25 PolarHBondContact O-N 3.19Å; N21-I25 VanDerWaalsContact O-N 3.12Å; D22-I25 PolarHBondContact O-N 3.44Å; D22-I25 VanDerWaalsContact O-N 3.08Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 3Å; I25-L28 PolarHBondContact O-N 2.97Å; I25-T29 WeakPolarHBondContact O-CB 3.21Å; I25-T29 PolarHBondContact O-N 3.44Å; I25-T29 PolarHBondContact O-OG1 3.2Å |
| 26 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D22 R23 G24 T29 R30 H579 | D22-G26 PolarHBondContact O-N 2.95Å; D22-G26 VanDerWaalsContact O-N 3.09Å; R23-G26 PolarHBondContact O-N 3.05Å; G24-G26 VanDerWaalsContact C-N 3.35Å; G26-T29 WeakPolarHBondContact O-CB 3.41Å; G26-T29 PolarHBondContact O-N 2.89Å; G26-R30 WeakPolarHBondContact O-CG 3.22Å; G26-R30 PolarHBondContact O-N 3.5Å; G26-H579 WeakPolarHBondContact CA-ND1 3.07Å |
| 27 | M | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.3 | -68 | -53.8 | 94.7 | 0 | 0 | 112.3 | R23 G24 I25 T29 R30 V31 D97 V98 F101 L141 L581 | R23-M27 WeakPolarHBondContact O-CG 3.43Å; R23-M27 PolarHBondContact O-N 3.37Å; G24-M27 PolarHBondContact O-N 3.28Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 3Å; M27-T29 PolarHBondContact O-N 3.23Å; M27-R30 PolarHBondContact O-N 3.24Å; M27-V31 WeakPolarHBondContact O-CB 3.15Å; M27-V31 VanDerWaalsContact O-CG2 3.24Å; M27-V31 WeakPolarHBondContact O-CG2 3.44Å; M27-V31 PolarHBondContact O-N 3.19Å; M27-D97 HydrophobicContact CE-CB 4.46Å; M27-D97 HydrophobicContact SD-CB 3.61Å; M27-V98 HydrophobicContact CB-CG2 4.41Å; M27-V98 HydrophobicContact SD-CG2 4.35Å; M27-F101 HydrophobicContact CG-CB 4.36Å; M27-F101 HydrophobicContact CG-CG 4.43Å; M27-L141 HydrophobicContact CB-CD1 4.08Å; M27-L141 HydrophobicContact CB-CD2 3.94Å; M27-L581 HydrophobicContact CE-CD1 4.01Å |
| 28 | L | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.7 | -42.3 | 173.6 | -79.5 | 171 | 0 | 0 | 0 | 111.3 | G24 I25 Y32 T137 L141 I144 F294 | G24-L28 WeakPolarHBondContact O-CG 3.4Å; G24-L28 PolarHBondContact O-N 3.42Å; I25-L28 PolarHBondContact O-N 2.97Å; L28-Y32 WeakPolarHBondContact O-CB 3.35Å; L28-Y32 PolarHBondContact O-N 3.39Å; L28-T137 HydrophobicContact CD1-CG2 3.87Å; L28-T137 HydrophobicContact CG-CG2 4.47Å; L28-L141 HydrophobicContact CD2-CB 3.87Å; L28-L141 HydrophobicContact CD2-CD1 3.95Å; L28-L141 HydrophobicContact CG-CB 4.34Å; L28-L141 HydrophobicContact CG-CD1 4.2Å; L28-I144 HydrophobicContact CD2-CD1 3.79Å; L28-F294 HydrophobicContact CB-CD1 4.4Å; L28-F294 HydrophobicContact CB-CD2 3.86Å; L28-F294 HydrophobicContact CB-CE2 4Å; L28-F294 HydrophobicContact CB-CG 4.07Å; L28-F294 HydrophobicContact CB-CZ 4.33Å; L28-F294 HydrophobicContact CD1-CD2 4.03Å; L28-F294 HydrophobicContact CD2-CB 4.39Å; L28-F294 HydrophobicContact CG-CD2 4.46Å |
| 29 | T | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | I25 G26 M27 Y32 N33 F294 C582 E585 | I25-T29 WeakPolarHBondContact O-CB 3.21Å; I25-T29 PolarHBondContact O-N 3.44Å; I25-T29 PolarHBondContact O-OG1 3.2Å; G26-T29 WeakPolarHBondContact O-CB 3.41Å; G26-T29 PolarHBondContact O-N 2.89Å; M27-T29 PolarHBondContact O-N 3.23Å; T29-Y32 WeakPolarHBondContact O-CB 3.44Å; T29-Y32 PolarHBondContact O-N 3.36Å; T29-N33 PolarHBondContact O-N 3.06Å; T29-N33 PolarHBondContact O-ND2 2.92Å; T29-N33 VanDerWaalsContact O-ND2 3.15Å; T29-F294 VanDerWaalsContact OG1-CZ 3.31Å; T29-F294 WeakPolarHBondContact OG1-CZ 3.48Å; T29-C582 HydrophobicContact CG2-CB 3.59Å; T29-E585 WeakPolarHBondContact CG2-OE1 3.48Å |
| 30 | R | 98.3 | Very high | 97.1 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 12% | 0.121 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 178 | -64.5 | -176.4 | 72.3 | 69.8 | 6.9 | 111.7 | G26 M27 Y32 N33 I34 L90 T94 L581 C582 E584 | G26-R30 WeakPolarHBondContact O-CG 3.22Å; G26-R30 PolarHBondContact O-N 3.5Å; M27-R30 PolarHBondContact O-N 3.24Å; R30-Y32 VanDerWaalsContact C-N 3.33Å; R30-Y32 PolarHBondContact O-N 3.47Å; R30-N33 PolarHBondContact O-N 2.74Å; R30-I34 WeakPolarHBondContact O-CG1 3.14Å; R30-I34 PolarHBondContact O-N 2.99Å; R30-L90 VanDerWaalsContact NH2-CD1 3.31Å; R30-T94 HydrophobicContact CB-CG2 3.72Å; R30-T94 PolarHBondContact NE-OG1 2.9Å; R30-T94 PolarHBondContact NH2-OG1 3.1Å; R30-T94 VanDerWaalsContact NH2-OG1 3.15Å; R30-L581 VanDerWaalsContact CD-O 3.24Å; R30-L581 WeakPolarHBondContact CD-O 3.38Å; R30-L581 WeakPolarHBondContact CG-O 3.32Å; R30-L581 PolarHBondContact NH1-O 3.35Å; R30-C582 HydrophobicContact CG-CB 3.93Å; R30-E584 IonicContact CZ-OE1 3.94Å; R30-E584 IonicContact NH1-OE1 3.97Å; R30-E584 PolarHBondContact NH1-OE1 2.81Å; R30-E584 IonicContact NH1-OE2 3.41Å; R30-E584 PolarHBondContact NH1-OE2 3.08Å; R30-E584 IonicContact NH2-OE1 3.93Å; R30-E584 PolarHBondContact NH2-OE1 2.82Å |
| 31 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -37.3 | -179 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | M27 N33 I34 K35 T94 V98 L141 I144 I148 | M27-V31 WeakPolarHBondContact O-CB 3.15Å; M27-V31 VanDerWaalsContact O-CG2 3.24Å; M27-V31 WeakPolarHBondContact O-CG2 3.44Å; M27-V31 PolarHBondContact O-N 3.19Å; V31-N33 PolarHBondContact O-N 3.31Å; V31-I34 PolarHBondContact O-N 3.27Å; V31-K35 WeakPolarHBondContact O-CB 3.27Å; V31-K35 PolarHBondContact O-N 3.43Å; V31-T94 HydrophobicContact CG2-CG2 4.41Å; V31-V98 HydrophobicContact CG2-CG2 3.57Å; V31-L141 HydrophobicContact CB-CD1 4.16Å; V31-L141 HydrophobicContact CG1-CD1 4.45Å; V31-L141 HydrophobicContact CG2-CD1 3.89Å; V31-I144 HydrophobicContact CG1-CB 4.38Å; V31-I144 HydrophobicContact CG1-CG2 3.74Å; V31-I148 HydrophobicContact CG1-CD1 3.75Å |
| 32 | Y | 98.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 172.1 | 169.6 | -89.4 | 0 | 0 | 0 | 111.6 | L28 T29 R30 I34 K35 K36 F294 R295 D296 E297 F542 | L28-Y32 WeakPolarHBondContact O-CB 3.35Å; L28-Y32 PolarHBondContact O-N 3.39Å; T29-Y32 WeakPolarHBondContact O-CB 3.44Å; T29-Y32 PolarHBondContact O-N 3.36Å; R30-Y32 VanDerWaalsContact C-N 3.33Å; R30-Y32 PolarHBondContact O-N 3.47Å; Y32-I34 PolarHBondContact O-N 3.26Å; Y32-K35 WeakPolarHBondContact O-CB 3.44Å; Y32-K35 PolarHBondContact O-N 3.39Å; Y32-K36 HydrophobicContact CD1-CG 4.38Å; Y32-K36 HydrophobicContact CE1-CG 3.9Å; Y32-K36 HydrophobicContact CE2-CD 4.38Å; Y32-K36 HydrophobicContact CE2-CG 4.14Å; Y32-K36 WeakPolarHBondContact O-CG 3.31Å; Y32-K36 PolarHBondContact O-N 3.28Å; Y32-K36 WeakPolarHBondContact OH-CE 3.25Å; Y32-F294 AromaticContact CD2-CD1 3.91Å; Y32-F294 HydrophobicContact CD2-CD1 3.91Å; Y32-F294 AromaticContact CG-CD1 3.9Å; Y32-F294 HydrophobicContact CG-CD1 3.9Å; Y32-F294 HydrophobicContact CG-CE1 4.14Å; Y32-R295 HydrophobicContact CD2-CB 4.36Å; Y32-R295 VanDerWaalsContact CE1-NH1 3.31Å; Y32-R295 HydrophobicContact CE2-CB 3.83Å; Y32-R295 HydrophobicContact CE2-CG 4.47Å; Y32-D296 WeakPolarHBondContact CE2-OD1 3.18Å; Y32-D296 PolarHBondContact OH-OD1 3.39Å; Y32-E297 HydrophobicContact CD2-CG 4.16Å; Y32-E297 HydrophobicContact CE2-CG 4.18Å; Y32-F542 HydrophobicContact CE1-CD1 4.3Å; Y32-F542 HydrophobicContact CE1-CE1 4.23Å; Y32-F542 WeakPolarHBondContact OH-CD1 3.3Å |
| 33 | N | 97.8 | Very high | 95.8 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 179.6 | -75.9 | -46.9 | 0 | 0 | 0 | 112.4 | T29 R30 V31 K35 K36 A37 C582 E585 | T29-N33 PolarHBondContact O-N 3.06Å; T29-N33 PolarHBondContact O-ND2 2.92Å; T29-N33 VanDerWaalsContact O-ND2 3.15Å; R30-N33 PolarHBondContact O-N 2.74Å; V31-N33 PolarHBondContact O-N 3.31Å; N33-K35 VanDerWaalsContact C-N 3.32Å; N33-K35 PolarHBondContact O-N 3.33Å; N33-K36 PolarHBondContact O-N 2.96Å; N33-A37 WeakPolarHBondContact O-CB 3.33Å; N33-A37 PolarHBondContact O-N 2.91Å; N33-C582 PolarHBondContact ND2-SG 2.96Å; N33-C582 VanDerWaalsContact ND2-SG 3.39Å; N33-E585 PolarHBondContact ND2-OE2 2.96Å; N33-E585 PolarHBondContact OD1-OE2 3.43Å |
| 34 | I | 97.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 173.1 | -65 | 175.2 | 0 | 0 | 0 | 110.4 | R30 V31 Y32 K36 A37 C38 Y91 T94 F95 I148 | R30-I34 WeakPolarHBondContact O-CG1 3.14Å; R30-I34 PolarHBondContact O-N 2.99Å; V31-I34 PolarHBondContact O-N 3.27Å; Y32-I34 PolarHBondContact O-N 3.26Å; I34-K36 PolarHBondContact O-N 3.2Å; I34-A37 PolarHBondContact O-N 3.31Å; I34-C38 VanDerWaalsContact O-CB 3.29Å; I34-C38 WeakPolarHBondContact O-CB 3.45Å; I34-C38 PolarHBondContact O-N 3.41Å; I34-C38 PolarHBondContact O-SG 3.22Å; I34-Y91 HydrophobicContact CD1-CD1 3.92Å; I34-Y91 HydrophobicContact CD1-CG 4.16Å; I34-Y91 HydrophobicContact CG1-CD1 3.75Å; I34-Y91 HydrophobicContact CG1-CE1 3.88Å; I34-Y91 HydrophobicContact CG1-CG 4.18Å; I34-Y91 HydrophobicContact CG2-CD2 4.16Å; I34-Y91 HydrophobicContact CG2-CE2 4.31Å; I34-Y91 HydrophobicContact CG2-CG 4.32Å; I34-T94 HydrophobicContact CD1-CG2 3.58Å; I34-F95 HydrophobicContact CG2-CZ 4.05Å; I34-I148 HydrophobicContact CB-CD1 4.33Å; I34-I148 HydrophobicContact CG2-CD1 4.01Å; I34-I148 HydrophobicContact CG2-CG2 4.43Å |
| 35 | K | 97.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 177.8 | -175.6 | -174.2 | 178.2 | -69.7 | 0 | 111.5 | V31 Y32 N33 G39 I144 R147 I148 E297 | V31-K35 WeakPolarHBondContact O-CB 3.27Å; V31-K35 PolarHBondContact O-N 3.43Å; Y32-K35 WeakPolarHBondContact O-CB 3.44Å; Y32-K35 PolarHBondContact O-N 3.39Å; N33-K35 VanDerWaalsContact C-N 3.32Å; N33-K35 PolarHBondContact O-N 3.33Å; K35-G39 PolarHBondContact O-N 3.39Å; K35-I144 HydrophobicContact CD-CG2 4.09Å; K35-R147 HydrophobicContact CD-CB 4.17Å; K35-I148 HydrophobicContact CB-CD1 4.25Å; K35-I148 HydrophobicContact CB-CG1 3.82Å; K35-I148 HydrophobicContact CG-CG1 4.16Å; K35-E297 HydrophobicContact CD-CG 4.29Å; K35-E297 VanDerWaalsContact CE-CD 3.47Å; K35-E297 WeakPolarHBondContact CE-OE2 3.28Å; K35-E297 IonicContact NZ-OE1 3.11Å; K35-E297 PolarHBondContact NZ-OE1 3.01Å; K35-E297 IonicContact NZ-OE2 2.68Å; K35-E297 PolarHBondContact NZ-OE2 2.82Å |
| 36 | K | 96.6 | Very high | 95 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -46.2 | -180 | -66.6 | -58 | -170.6 | -174.7 | 0 | 111.4 | Y32 N33 I34 C38 G39 D40 D296 E297 | Y32-K36 HydrophobicContact CD1-CG 4.38Å; Y32-K36 HydrophobicContact CE1-CG 3.9Å; Y32-K36 HydrophobicContact CE2-CD 4.38Å; Y32-K36 HydrophobicContact CE2-CG 4.14Å; Y32-K36 WeakPolarHBondContact O-CG 3.31Å; Y32-K36 PolarHBondContact O-N 3.28Å; Y32-K36 WeakPolarHBondContact OH-CE 3.25Å; N33-K36 PolarHBondContact O-N 2.96Å; I34-K36 PolarHBondContact O-N 3.2Å; K36-C38 PolarHBondContact O-N 3Å; K36-G39 PolarHBondContact O-N 3.45Å; K36-D40 PolarHBondContact O-N 3.41Å; K36-D40 VanDerWaalsContact O-N 3.1Å; K36-D296 WeakPolarHBondContact CE-OD1 3.34Å; K36-D296 IonicContact NZ-OD1 2.69Å; K36-D296 PolarHBondContact NZ-OD1 3.32Å; K36-D296 IonicContact NZ-OD2 2.77Å; K36-D296 PolarHBondContact NZ-OD2 3.12Å; K36-E297 IonicContact NZ-OE1 2.88Å; K36-E297 PolarHBondContact NZ-OE1 3.34Å |
| 37 | A | 93.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N33 I34 G39 D40 A43 K44 Y91 | N33-A37 WeakPolarHBondContact O-CB 3.33Å; N33-A37 PolarHBondContact O-N 2.91Å; I34-A37 PolarHBondContact O-N 3.31Å; A37-G39 VanDerWaalsContact C-N 3.34Å; A37-D40 VanDerWaalsContact O-O 3.12Å; A37-A43 HydrophobicContact CB-CB 4.32Å; A37-A43 CarbonylContact O-C 3.33Å; A37-K44 WeakPolarHBondContact O-CA 3.5Å; A37-K44 PolarHBondContact O-N 3.11Å; A37-K44 VanDerWaalsContact O-N 3.1Å; A37-Y91 WeakPolarHBondContact CB-OH 3.36Å |
| 38 | C | 94.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.081 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.2 | -26.5 | 178.7 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | I34 K36 | I34-C38 VanDerWaalsContact O-CB 3.29Å; I34-C38 WeakPolarHBondContact O-CB 3.45Å; I34-C38 PolarHBondContact O-N 3.41Å; I34-C38 PolarHBondContact O-SG 3.22Å; K36-C38 PolarHBondContact O-N 3Å |
| 39 | G | 91.5 | Very high | 94.2 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 66% | 0.66 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -79.4 | -23.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | K35 K36 A37 P41 | K35-G39 PolarHBondContact O-N 3.39Å; K36-G39 PolarHBondContact O-N 3.45Å; A37-G39 VanDerWaalsContact C-N 3.34Å; G39-P41 WeakPolarHBondContact O-CD 3.47Å |
| 40 | D | 91.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -91.3 | 114.8 | 173.1 | -179.9 | 2.8 | 0 | 0 | 0 | 110.7 | K36 A37 K42 A43 K44 | K36-D40 PolarHBondContact O-N 3.41Å; K36-D40 VanDerWaalsContact O-N 3.1Å; A37-D40 VanDerWaalsContact O-O 3.12Å; D40-K42 PolarHBondContact O-N 2.95Å; D40-K42 WeakPolarHBondContact OD1-CB 3.21Å; D40-K42 PolarHBondContact OD1-N 3.16Å; D40-A43 HydrophobicContact CB-CB 4.21Å; D40-A43 PolarHBondContact O-N 3.39Å; D40-K44 WeakPolarHBondContact O-CB 3.34Å; D40-K44 PolarHBondContact O-N 3.25Å |
| 41 | P | 87.2 | Confident | 93.5 | Very high | 100 Ų | 100 | 56 Ų | 56 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -22.6 | 177.4 | -25 | 34.4 | 0 | 0 | 0 | 114.8 | G39 | G39-P41 WeakPolarHBondContact O-CD 3.47Š|
| 42 | K | 91.2 | Very high | 93.2 | Very high | 197 Ų | 197 | 61.2 Ų | 61.2 | 86% | 0.857 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -27.6 | 178.1 | -66.1 | -176.9 | 178.2 | -179.8 | 0 | 113.8 | D40 | D40-K42 PolarHBondContact O-N 2.95Å; D40-K42 WeakPolarHBondContact OD1-CB 3.21Å; D40-K42 PolarHBondContact OD1-N 3.16Å |
| 43 | A | 90.1 | Very high | 92.8 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -11.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | A37 D40 | A37-A43 HydrophobicContact CB-CB 4.32Å; A37-A43 CarbonylContact O-C 3.33Å; D40-A43 HydrophobicContact CB-CB 4.21Å; D40-A43 PolarHBondContact O-N 3.39Å |
| 44 | K | 91.7 | Very high | 92.5 | Very high | 41 Ų | 41 | 62.7 Ų | 62.7 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -59.2 | 141.8 | 179.5 | -164.4 | 178.6 | -166.2 | -171.3 | 0 | 111.2 | A37 D40 S46 L48 V49 E150 | A37-K44 WeakPolarHBondContact O-CA 3.5Å; A37-K44 PolarHBondContact O-N 3.11Å; A37-K44 VanDerWaalsContact O-N 3.1Å; D40-K44 WeakPolarHBondContact O-CB 3.34Å; D40-K44 PolarHBondContact O-N 3.25Å; K44-S46 PolarHBondContact O-N 3.36Å; K44-L48 HydrophobicContact CD-CB 4.03Å; K44-L48 HydrophobicContact CG-CB 4.17Å; K44-L48 HydrophobicContact CG-CD1 4.18Å; K44-V49 HydrophobicContact CB-CG2 4.22Å; K44-V49 HydrophobicContact CD-CG2 4.03Å; K44-V49 HydrophobicContact CG-CG2 4.36Å; K44-E150 VanDerWaalsContact NZ-CD 3.34Å; K44-E150 IonicContact NZ-OE1 3.65Å; K44-E150 PolarHBondContact NZ-OE1 3.12Å |
| 45 | P | 93.9 | Very high | 92.3 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 13% | 0.13 | 37% | 0.366 | C | S | . | . | trans | -51.7 | 130.7 | 172.7 | -28.1 | 34.6 | 0 | 0 | 0 | 112 | Y47 L48 L88 Y91 | P45-Y47 HydrophobicContact CB-CD2 4.47Å; P45-Y47 PolarHBondContact O-N 3.17Å; P45-Y47 VanDerWaalsContact O-N 3.09Å; P45-L48 HydrophobicContact CB-CD1 4.45Å; P45-L48 HydrophobicContact CG-CD1 4.44Å; P45-L48 PolarHBondContact O-N 3.19Å; P45-L88 HydrophobicContact CB-CD2 3.91Å; P45-L88 HydrophobicContact CG-CD2 4.15Å; P45-Y91 HydrophobicContact CG-CD2 4.18Å; P45-Y91 HydrophobicContact CG-CE2 3.69Å | ||
| 46 | S | 92.4 | Very high | 92 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 54% | 0.538 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -55.7 | -33 | -172.4 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | K44 L48 V49 D50 | K44-S46 PolarHBondContact O-N 3.36Å; S46-L48 PolarHBondContact O-N 3.48Å; S46-V49 PolarHBondContact O-N 3.19Å; S46-D50 PolarHBondContact O-N 3.43Å |
| 47 | Y | 93.7 | Very high | 91.9 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -61 | -23.6 | 177.9 | -44.9 | -65.9 | 0 | 0 | 0 | 114.3 | P45 L53 E83 I84 N87 L88 | P45-Y47 HydrophobicContact CB-CD2 4.47Å; P45-Y47 PolarHBondContact O-N 3.17Å; P45-Y47 VanDerWaalsContact O-N 3.09Å; Y47-L53 HydrophobicContact CD1-CD1 3.8Å; Y47-L53 HydrophobicContact CG-CD1 4.45Å; Y47-E83 VanDerWaalsContact OH-C 3.24Å; Y47-E83 WeakPolarHBondContact OH-CB 3.31Å; Y47-E83 PolarHBondContact OH-O 3.37Å; Y47-I84 HydrophobicContact CD1-CD1 4.43Å; Y47-I84 HydrophobicContact CD1-CG1 3.83Å; Y47-I84 HydrophobicContact CD2-CG1 4.41Å; Y47-I84 HydrophobicContact CE1-CG1 3.68Å; Y47-I84 HydrophobicContact CE2-CG1 4.28Å; Y47-I84 HydrophobicContact CG-CG1 4.2Å; Y47-N87 HydrophobicContact CE2-CB 4Å; Y47-N87 PolarHBondContact OH-ND2 3.09Å; Y47-L88 HydrophobicContact CD2-CD1 4.35Å; Y47-L88 HydrophobicContact CD2-CD2 4.14Å; Y47-L88 HydrophobicContact CD2-CG 4.17Å; Y47-L88 HydrophobicContact CE2-CD2 4.41Å; Y47-L88 HydrophobicContact CE2-CG 4.28Å |
| 48 | L | 92 | Very high | 92 | Very high | 25 Ų | 25 | 66.4 Ų | 66.4 | 13% | 0.131 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -91.5 | -3.5 | 178 | -57 | 177.7 | 0 | 0 | 0 | 112.7 | K44 P45 S46 V57 E150 A153 I154 L157 | K44-L48 HydrophobicContact CD-CB 4.03Å; K44-L48 HydrophobicContact CG-CB 4.17Å; K44-L48 HydrophobicContact CG-CD1 4.18Å; P45-L48 HydrophobicContact CB-CD1 4.45Å; P45-L48 HydrophobicContact CG-CD1 4.44Å; P45-L48 PolarHBondContact O-N 3.19Å; S46-L48 PolarHBondContact O-N 3.48Å; L48-V57 HydrophobicContact CD2-CG1 4.24Å; L48-V57 HydrophobicContact CD2-CG2 4.42Å; L48-E150 HydrophobicContact CD1-CB 3.86Å; L48-E150 HydrophobicContact CD1-CG 4.13Å; L48-A153 HydrophobicContact CD2-CB 3.63Å; L48-I154 HydrophobicContact CD1-CD1 4.33Å; L48-I154 HydrophobicContact CD1-CG1 3.93Å; L48-L157 HydrophobicContact CD2-CD1 3.82Å |
| 49 | V | 91.2 | Very high | 92 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -30.2 | 179.5 | -176 | 0 | 0 | 0 | 0 | 110.8 | K44 S46 K51 | K44-V49 HydrophobicContact CB-CG2 4.22Å; K44-V49 HydrophobicContact CD-CG2 4.03Å; K44-V49 HydrophobicContact CG-CG2 4.36Å; S46-V49 PolarHBondContact O-N 3.19Å; V49-K51 PolarHBondContact O-N 3.09Å |
| 50 | D | 91.3 | Very high | 92.1 | Very high | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | trans | -63.3 | 119.7 | -179.9 | -177 | 10.3 | 0 | 0 | 0 | 112.3 | S46 N52 L53 E54 | S46-D50 PolarHBondContact O-N 3.43Å; D50-N52 PolarHBondContact O-N 3.46Å; D50-N52 PolarHBondContact OD1-N 2.9Å; D50-L53 HydrophobicContact CB-CB 4.42Å; D50-L53 HydrophobicContact CB-CD1 4.43Å; D50-L53 PolarHBondContact O-N 3.39Å; D50-L53 VanDerWaalsContact O-N 3.1Å; D50-E54 PolarHBondContact O-N 2.65Å; D50-E54 VanDerWaalsContact O-N 3.12Å | ||
| 51 | K | 91.3 | Very high | 92.3 | Very high | 176 Ų | 176 | 62.2 Ų | 62.2 | 77% | 0.765 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -27.7 | 177.4 | -67 | -170.2 | 176.3 | -176.3 | 0 | 112.8 | V49 L53 | V49-K51 PolarHBondContact O-N 3.09Å; K51-L53 VanDerWaalsContact C-N 3.31Å |
| 52 | N | 91.3 | Very high | 92.7 | Very high | 110 Ų | 110 | 66.6 Ų | 66.6 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -24.7 | 178.6 | -65.1 | -36.1 | 0 | 0 | 0 | 112.6 | D50 Q76 | D50-N52 PolarHBondContact O-N 3.46Å; D50-N52 PolarHBondContact OD1-N 2.9Å; N52-Q76 HydrophobicContact CB-CG 4.37Å |
| 53 | L | 91.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -13 | 178.6 | -71.1 | 173.3 | 0 | 0 | 0 | 113.4 | Y47 D50 K51 S55 A56 V57 Q76 L77 | Y47-L53 HydrophobicContact CD1-CD1 3.8Å; Y47-L53 HydrophobicContact CG-CD1 4.45Å; D50-L53 HydrophobicContact CB-CB 4.42Å; D50-L53 HydrophobicContact CB-CD1 4.43Å; D50-L53 PolarHBondContact O-N 3.39Å; D50-L53 VanDerWaalsContact O-N 3.1Å; K51-L53 VanDerWaalsContact C-N 3.31Å; L53-S55 PolarHBondContact O-N 3.43Å; L53-S55 VanDerWaalsContact O-N 3.16Å; L53-A56 WeakPolarHBondContact O-CB 3.5Å; L53-A56 PolarHBondContact O-N 3.39Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 2.96Å; L53-Q76 HydrophobicContact CD2-CB 3.93Å; L53-Q76 HydrophobicContact CD2-CG 3.73Å; L53-Q76 HydrophobicContact CG-CG 4.22Å; L53-L77 HydrophobicContact CD2-CB 4.23Å |
| 54 | E | 91.6 | Very high | 93.2 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.7 | -39.6 | -178.3 | -168.4 | -172.6 | 162.8 | 0 | 0 | 113.1 | D50 V57 K58 | D50-E54 PolarHBondContact O-N 2.65Å; D50-E54 VanDerWaalsContact O-N 3.12Å; E54-V57 PolarHBondContact O-N 3.07Å; E54-K58 HydrophobicContact CG-CD 4.48Å; E54-K58 WeakPolarHBondContact O-CB 3.33Å; E54-K58 WeakPolarHBondContact O-CG 3.47Å; E54-K58 PolarHBondContact O-N 3.29Å; E54-K58 WeakPolarHBondContact OE1-CE 3.24Å; E54-K58 IonicContact OE1-NZ 3.87Å; E54-K58 PolarHBondContact OE1-NZ 3.2Å |
| 55 | S | 91.5 | Very high | 93.4 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 42% | 0.42 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 178.4 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | L53 F59 | L53-S55 PolarHBondContact O-N 3.43Å; L53-S55 VanDerWaalsContact O-N 3.16Å; S55-F59 PolarHBondContact O-N 3.39Å |
| 56 | A | 92.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L53 K58 F59 I60 N73 L74 L77 | L53-A56 WeakPolarHBondContact O-CB 3.5Å; L53-A56 PolarHBondContact O-N 3.39Å; A56-K58 PolarHBondContact O-N 3.17Å; A56-F59 WeakPolarHBondContact O-CB 3.45Å; A56-F59 PolarHBondContact O-N 2.73Å; A56-F59 VanDerWaalsContact O-N 3.16Å; A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.07Å; A56-N73 VanDerWaalsContact CB-O 3.31Å; A56-N73 WeakPolarHBondContact CB-O 3.32Å; A56-L74 HydrophobicContact CB-CD2 4.14Å; A56-L77 HydrophobicContact CB-CD1 4.36Å |
| 57 | V | 94.9 | Very high | 93.3 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 179.2 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L48 L53 E54 F59 I60 V61 A153 L157 | L48-V57 HydrophobicContact CD2-CG1 4.24Å; L48-V57 HydrophobicContact CD2-CG2 4.42Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 2.96Å; E54-V57 PolarHBondContact O-N 3.07Å; V57-F59 VanDerWaalsContact C-N 3.28Å; V57-F59 PolarHBondContact O-N 3.35Å; V57-I60 PolarHBondContact O-N 3.38Å; V57-V61 HydrophobicContact CG1-CG2 4.24Å; V57-V61 WeakPolarHBondContact O-CG2 3.4Å; V57-V61 PolarHBondContact O-N 3.49Å; V57-A153 HydrophobicContact CG1-CB 3.76Å; V57-L157 HydrophobicContact CG2-CD1 4Å; V57-L157 HydrophobicContact CG2-CD2 4.04Å; V57-L157 HydrophobicContact CG2-CG 4.31Å |
| 58 | K | 94.6 | Very high | 93 | Very high | 130 Ų | 130 | 62.4 Ų | 62.4 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59 | -39.2 | 176 | -76.1 | 177.8 | -176.1 | 169.1 | 0 | 112.4 | E54 A56 R62 | E54-K58 HydrophobicContact CG-CD 4.48Å; E54-K58 WeakPolarHBondContact O-CB 3.33Å; E54-K58 WeakPolarHBondContact O-CG 3.47Å; E54-K58 PolarHBondContact O-N 3.29Å; E54-K58 WeakPolarHBondContact OE1-CE 3.24Å; E54-K58 IonicContact OE1-NZ 3.87Å; E54-K58 PolarHBondContact OE1-NZ 3.2Å; A56-K58 PolarHBondContact O-N 3.17Å; K58-R62 VanDerWaalsContact O-CB 3.28Å; K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 3.3Å; K58-R62 VanDerWaalsContact O-N 3.11Å |
| 59 | F | 94.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 176.2 | 173.9 | -102.7 | 0 | 0 | 0 | 111.7 | S55 A56 V57 R62 K63 E68 N71 L74 Y160 | S55-F59 PolarHBondContact O-N 3.39Å; A56-F59 WeakPolarHBondContact O-CB 3.45Å; A56-F59 PolarHBondContact O-N 2.73Å; A56-F59 VanDerWaalsContact O-N 3.16Å; V57-F59 VanDerWaalsContact C-N 3.28Å; V57-F59 PolarHBondContact O-N 3.35Å; F59-R62 PolarHBondContact O-N 3.03Å; F59-K63 HydrophobicContact CD2-CG 4.43Å; F59-K63 HydrophobicContact CE2-CG 3.92Å; F59-K63 HydrophobicContact CZ-CG 4Å; F59-K63 PolarHBondContact O-N 3.1Å; F59-K63 VanDerWaalsContact O-N 3.14Å; F59-E68 HydrophobicContact CZ-CB 4.17Å; F59-N71 WeakPolarHBondContact CD2-ND2 3.36Å; F59-N71 HydrophobicContact CE1-CB 4.11Å; F59-N71 WeakPolarHBondContact CE2-ND2 3.07Å; F59-N71 HydrophobicContact CZ-CB 4.1Å; F59-N71 VanDerWaalsContact CZ-ND2 3.3Å; F59-N71 WeakPolarHBondContact CZ-ND2 3.14Å; F59-L74 HydrophobicContact CD1-CD2 4.16Å; F59-L74 HydrophobicContact CD1-CG 4.49Å; F59-L74 HydrophobicContact CE1-CD1 4.31Å; F59-Y160 HydrophobicContact CE1-CE1 4.28Å |
| 60 | I | 95.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 179.5 | -69.5 | 169.4 | 0 | 0 | 0 | 110.7 | A56 V57 R62 K63 F64 L74 L77 L157 Y160 | A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.07Å; V57-I60 PolarHBondContact O-N 3.38Å; I60-R62 VanDerWaalsContact C-N 3.31Å; I60-R62 PolarHBondContact O-N 3.48Å; I60-K63 PolarHBondContact O-N 3Å; I60-K63 VanDerWaalsContact O-N 3.16Å; I60-F64 PolarHBondContact O-N 3.38Å; I60-L74 HydrophobicContact CD1-CD2 4.28Å; I60-L74 HydrophobicContact CG1-CD2 4.31Å; I60-L77 HydrophobicContact CD1-CD1 3.69Å; I60-L157 HydrophobicContact CD1-CD2 3.75Å; I60-L157 HydrophobicContact CD1-CG 4.34Å; I60-Y160 HydrophobicContact CB-CE2 4.44Å; I60-Y160 HydrophobicContact CD1-CD1 4.31Å; I60-Y160 HydrophobicContact CD1-CD2 4.21Å; I60-Y160 HydrophobicContact CD1-CG 4Å; I60-Y160 HydrophobicContact CG1-CD1 4.17Å; I60-Y160 HydrophobicContact CG1-CD2 4Å; I60-Y160 HydrophobicContact CG1-CE1 4.12Å; I60-Y160 HydrophobicContact CG1-CE2 3.96Å; I60-Y160 HydrophobicContact CG1-CG 4.09Å; I60-Y160 HydrophobicContact CG2-CD2 4.13Å; I60-Y160 HydrophobicContact CG2-CE2 4.04Å |
| 61 | V | 95.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 71.2 Ų | 71.2 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | -179.4 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | V57 K63 F64 K152 A153 | V57-V61 HydrophobicContact CG1-CG2 4.24Å; V57-V61 WeakPolarHBondContact O-CG2 3.4Å; V57-V61 PolarHBondContact O-N 3.49Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 2.92Å; V61-F64 WeakPolarHBondContact O-CB 3.45Å; V61-F64 PolarHBondContact O-N 3.25Å; V61-K152 HydrophobicContact CG1-CB 4.44Å; V61-K152 HydrophobicContact CG2-CB 4.47Å; V61-A153 HydrophobicContact CG2-CB 3.67Å |
| 62 | R | 95.3 | Very high | 90.6 | Very high | 192 Ų | 192 | 70.1 Ų | 70.1 | 73% | 0.725 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.6 | -31.6 | 178.4 | -173.9 | 179.2 | 67.7 | 174.1 | 1.6 | 112.9 | K58 F59 I60 | K58-R62 VanDerWaalsContact O-CB 3.28Å; K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 3.3Å; K58-R62 VanDerWaalsContact O-N 3.11Å; F59-R62 PolarHBondContact O-N 3.03Å; I60-R62 VanDerWaalsContact C-N 3.31Å; I60-R62 PolarHBondContact O-N 3.48Å |
| 63 | K | 94.9 | Very high | 90.2 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -89 | -17.3 | -179.9 | -75.1 | -73.1 | -172.7 | 162.1 | 0 | 113.2 | F59 I60 V61 A66 E68 | F59-K63 HydrophobicContact CD2-CG 4.43Å; F59-K63 HydrophobicContact CE2-CG 3.92Å; F59-K63 HydrophobicContact CZ-CG 4Å; F59-K63 PolarHBondContact O-N 3.1Å; F59-K63 VanDerWaalsContact O-N 3.14Å; I60-K63 PolarHBondContact O-N 3Å; I60-K63 VanDerWaalsContact O-N 3.16Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 2.92Å; K63-A66 WeakPolarHBondContact O-CA 3.49Å; K63-A66 VanDerWaalsContact O-CB 3.31Å; K63-A66 WeakPolarHBondContact O-CB 3.38Å; K63-A66 PolarHBondContact O-N 3.07Å; K63-E68 WeakPolarHBondContact CE-OE2 3.39Å; K63-E68 IonicContact NZ-OE1 2.72Å; K63-E68 PolarHBondContact NZ-OE1 3.14Å; K63-E68 IonicContact NZ-OE2 3.02Å; K63-E68 PolarHBondContact NZ-OE2 3.22Å |
| 64 | F | 96.6 | Very high | 90 | Very high | 19 Ų | 19 | 68.6 Ų | 68.6 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 129.7 | -177.3 | -165.2 | -81.6 | 0 | 0 | 0 | 112.3 | I60 V61 K152 I155 Y173 I180 V181 | I60-F64 PolarHBondContact O-N 3.38Å; V61-F64 WeakPolarHBondContact O-CB 3.45Å; V61-F64 PolarHBondContact O-N 3.25Å; F64-K152 HydrophobicContact CB-CB 4.48Å; F64-K152 HydrophobicContact CD1-CB 4.31Å; F64-K152 HydrophobicContact CD1-CD 4.03Å; F64-K152 HydrophobicContact CD1-CG 3.81Å; F64-K152 HydrophobicContact CD2-CB 4.09Å; F64-K152 HydrophobicContact CD2-CG 4.46Å; F64-K152 WeakPolarHBondContact CD2-O 3.08Å; F64-K152 HydrophobicContact CE1-CG 4.01Å; F64-K152 HydrophobicContact CE2-CB 4.41Å; F64-K152 HydrophobicContact CG-CB 4.04Å; F64-K152 HydrophobicContact CG-CD 4.34Å; F64-K152 HydrophobicContact CG-CG 4.05Å; F64-K152 HydrophobicContact CZ-CG 4.4Å; F64-I155 HydrophobicContact CE2-CB 4.05Å; F64-I155 HydrophobicContact CE2-CG2 3.89Å; F64-I155 HydrophobicContact CZ-CB 4.42Å; F64-I155 HydrophobicContact CZ-CG2 4.12Å; F64-Y173 HydrophobicContact CE2-CE2 4.14Å; F64-I180 HydrophobicContact CE1-CB 3.97Å; F64-I180 HydrophobicContact CE1-CG2 3.75Å; F64-I180 HydrophobicContact CZ-CB 4.21Å; F64-I180 HydrophobicContact CZ-CG2 4.1Å; F64-V181 HydrophobicContact CD1-CG2 4.15Å; F64-V181 HydrophobicContact CE1-CG2 4.19Å |
| 65 | P | 94.8 | Very high | 89.8 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.4 | 9 | 8.7 | 37 | -31.6 | 0 | 0 | 0 | 114.1 | Y173 V181 | P65-Y173 WeakPolarHBondContact O-CE1 3.18Å; P65-Y173 PolarHBondContact O-OH 2.75Å; P65-V181 HydrophobicContact CG-CG2 4.05Å |
| 66 | A | 94.2 | Very high | 89.7 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -74.4 | 144.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K63 | K63-A66 WeakPolarHBondContact O-CA 3.49Å; K63-A66 VanDerWaalsContact O-CB 3.31Å; K63-A66 WeakPolarHBondContact O-CB 3.38Å; K63-A66 PolarHBondContact O-N 3.07Å |
| 67 | V | 91.3 | Very high | 89.6 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | trans | -114.6 | 126.7 | -175.4 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | T69 N159 Y160 E163 Y173 | V67-T69 HydrophobicContact CG1-CG2 4.4Å; V67-N159 WeakPolarHBondContact CG2-ND2 3.24Å; V67-Y160 HydrophobicContact CB-CE2 4.43Å; V67-Y160 HydrophobicContact CG1-CD2 4.22Å; V67-Y160 HydrophobicContact CG1-CE1 4.43Å; V67-Y160 HydrophobicContact CG1-CE2 3.91Å; V67-Y160 HydrophobicContact CG2-CE2 4.48Å; V67-E163 WeakPolarHBondContact CG1-OE2 3.5Å; V67-Y173 HydrophobicContact CG2-CD1 4.07Å; V67-Y173 HydrophobicContact CG2-CE1 3.25Å | ||
| 68 | E | 86.8 | Confident | 89.3 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.402 | 35% | 0.352 | S | S | . | . | trans | -139.4 | 100.7 | 179.2 | -75.1 | 176.7 | -165.8 | 0 | 0 | 110.8 | F59 K63 Y160 | F59-E68 HydrophobicContact CZ-CB 4.17Å; K63-E68 WeakPolarHBondContact CE-OE2 3.39Å; K63-E68 IonicContact NZ-OE1 2.72Å; K63-E68 PolarHBondContact NZ-OE1 3.14Å; K63-E68 IonicContact NZ-OE2 3.02Å; K63-E68 PolarHBondContact NZ-OE2 3.22Å; E68-Y160 PolarHBondContact N-OH 3.23Å; E68-Y160 VanDerWaalsContact O-CE1 3.26Å; E68-Y160 WeakPolarHBondContact O-CE1 3.37Å | ||
| 69 | T | 79.9 | Confident | 89.2 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 31% | 0.307 | 36% | 0.358 | S | S | . | . | trans | -84.8 | -10.5 | -173.9 | 46.4 | 0 | 0 | 0 | 0 | 115 | V67 N71 Y160 E163 M164 | V67-T69 HydrophobicContact CG1-CG2 4.4Å; T69-N71 PolarHBondContact O-N 3.28Å; T69-Y160 HydrophobicContact CG2-CD1 4.35Å; T69-E163 HydrophobicContact CG2-CB 4.26Å; T69-E163 HydrophobicContact CG2-CG 3.99Å; T69-E163 WeakPolarHBondContact CG2-OE1 3.31Å; T69-E163 PolarHBondContact OG1-OE1 3.24Å; T69-M164 HydrophobicContact CG2-CE 4.35Å; T69-M164 HydrophobicContact CG2-CG 4.4Å | ||
| 70 | R | 76.3 | Confident | 89.1 | Confident | 245 Ų | 245 | 74.1 Ų | 74.1 | 93% | 0.925 | 37% | 0.367 | S | S | * | . | trans | -94 | 79.2 | 179.7 | -62.9 | -177.3 | -173.7 | 177 | 2.2 | 111.5 | ||||
| 71 | N | 81 | Confident | 89 | Confident | 51 Ų | 51 | 76.6 Ų | 76.6 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | trans | -149.6 | 137.3 | 176 | -164.3 | -38.2 | 0 | 0 | 0 | 112.5 | F59 T69 N73 L74 | F59-N71 WeakPolarHBondContact CD2-ND2 3.36Å; F59-N71 HydrophobicContact CE1-CB 4.11Å; F59-N71 WeakPolarHBondContact CE2-ND2 3.07Å; F59-N71 HydrophobicContact CZ-CB 4.1Å; F59-N71 VanDerWaalsContact CZ-ND2 3.3Å; F59-N71 WeakPolarHBondContact CZ-ND2 3.14Å; T69-N71 PolarHBondContact O-N 3.28Å; N71-N73 PolarHBondContact O-N 3.48Å; N71-N73 PolarHBondContact OD1-N 2.88Å; N71-L74 HydrophobicContact CB-CD1 4.12Å; N71-L74 HydrophobicContact CB-CG 4.31Å; N71-L74 WeakPolarHBondContact O-CB 3.43Å; N71-L74 PolarHBondContact O-N 3.29Å; N71-L74 VanDerWaalsContact O-N 3.12Å | ||
| 72 | N | 78.7 | Confident | 89 | Confident | 152 Ų | 152 | 77.5 Ų | 77.5 | 81% | 0.813 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -62 | -24.6 | 178.2 | -68.9 | -10.9 | 0 | 0 | 0 | 113.3 | L74 A75 | N72-L74 PolarHBondContact O-N 3.45Å; N72-L74 VanDerWaalsContact O-N 3.15Å; N72-A75 PolarHBondContact O-N 3.2Å |
| 73 | N | 82 | Confident | 88.9 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -65.5 | -12.6 | 176.2 | -65.4 | -16 | 0 | 0 | 0 | 113.4 | A56 N71 | A56-N73 VanDerWaalsContact CB-O 3.31Å; A56-N73 WeakPolarHBondContact CB-O 3.32Å; N71-N73 PolarHBondContact O-N 3.48Å; N71-N73 PolarHBondContact OD1-N 2.88Å |
| 74 | L | 87.9 | Confident | 89 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -97.3 | 5.9 | -177.1 | -57 | 171.2 | 0 | 0 | 0 | 113.3 | A56 F59 I60 N71 N72 Q76 L77 Q78 Y160 M164 | A56-L74 HydrophobicContact CB-CD2 4.14Å; F59-L74 HydrophobicContact CD1-CD2 4.16Å; F59-L74 HydrophobicContact CD1-CG 4.49Å; F59-L74 HydrophobicContact CE1-CD1 4.31Å; I60-L74 HydrophobicContact CD1-CD2 4.28Å; I60-L74 HydrophobicContact CG1-CD2 4.31Å; N71-L74 HydrophobicContact CB-CD1 4.12Å; N71-L74 HydrophobicContact CB-CG 4.31Å; N71-L74 WeakPolarHBondContact O-CB 3.43Å; N71-L74 PolarHBondContact O-N 3.29Å; N71-L74 VanDerWaalsContact O-N 3.12Å; N72-L74 PolarHBondContact O-N 3.45Å; N72-L74 VanDerWaalsContact O-N 3.15Å; L74-Q76 PolarHBondContact O-N 3.04Å; L74-L77 HydrophobicContact CD2-CD1 4.24Å; L74-L77 WeakPolarHBondContact O-CB 3.5Å; L74-L77 PolarHBondContact O-N 3.07Å; L74-Q78 PolarHBondContact O-N 3.2Å; L74-Y160 HydrophobicContact CD1-CD1 3.99Å; L74-Y160 HydrophobicContact CD1-CE1 3.92Å; L74-Y160 HydrophobicContact CD2-CD1 4.28Å; L74-Y160 HydrophobicContact CD2-CE1 4.45Å; L74-M164 HydrophobicContact CB-CE 3.89Å; L74-M164 HydrophobicContact CD1-CE 3.66Å; L74-M164 HydrophobicContact CG-CE 4.26Å |
| 75 | A | 87.5 | Confident | 89 | Confident | 65 Ų | 65 | 69.6 Ų | 69.6 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | N72 | N72-A75 PolarHBondContact O-N 3.2Å |
| 76 | Q | 88.9 | Confident | 89 | Confident | 62 Ų | 62 | 74.3 Ų | 74.3 | 29% | 0.29 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.9 | -40.6 | 176.4 | -174 | 63.2 | 16.8 | 0 | 0 | 111.4 | N52 L53 L74 Q78 K79 E80 | N52-Q76 HydrophobicContact CB-CG 4.37Å; L53-Q76 HydrophobicContact CD2-CB 3.93Å; L53-Q76 HydrophobicContact CD2-CG 3.73Å; L53-Q76 HydrophobicContact CG-CG 4.22Å; L74-Q76 PolarHBondContact O-N 3.04Å; Q76-Q78 VanDerWaalsContact C-N 3.28Å; Q76-Q78 PolarHBondContact O-N 2.77Å; Q76-K79 WeakPolarHBondContact O-CB 3.4Å; Q76-K79 PolarHBondContact O-N 2.99Å; Q76-K79 VanDerWaalsContact O-N 3.08Å; Q76-E80 PolarHBondContact NE2-OE1 2.96Å; Q76-E80 PolarHBondContact O-N 3.02Å |
| 77 | L | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.2 | -39.3 | 177.3 | -167.6 | 158.9 | 0 | 0 | 0 | 111.9 | L53 A56 I60 L74 K79 E80 K81 I84 L157 A161 M164 | L53-L77 HydrophobicContact CD2-CB 4.23Å; A56-L77 HydrophobicContact CB-CD1 4.36Å; I60-L77 HydrophobicContact CD1-CD1 3.69Å; L74-L77 HydrophobicContact CD2-CD1 4.24Å; L74-L77 WeakPolarHBondContact O-CB 3.5Å; L74-L77 PolarHBondContact O-N 3.07Å; L77-K79 PolarHBondContact O-N 3.46Å; L77-E80 CarbonylContact O-C 3.56Å; L77-E80 PolarHBondContact O-N 2.83Å; L77-K81 PolarHBondContact O-N 3.41Å; L77-I84 HydrophobicContact CD2-CD1 4.27Å; L77-I84 HydrophobicContact CG-CD1 3.76Å; L77-L157 HydrophobicContact CD1-CD2 3.53Å; L77-A161 HydrophobicContact CD2-CB 4.47Å; L77-M164 HydrophobicContact CD2-CE 4.26Å; L77-M164 HydrophobicContact CD2-SD 3.57Å; L77-M164 VanDerWaalsContact CD2-SD 3.57Å |
| 78 | Q | 89.1 | Confident | 89.3 | Confident | 86 Ų | 86 | 74 Ų | 74 | 40% | 0.402 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.7 | -32 | 177.6 | -177.8 | 65.3 | 13.4 | 0 | 0 | 113.2 | L74 Q76 K81 M164 | L74-Q78 PolarHBondContact O-N 3.2Å; Q76-Q78 VanDerWaalsContact C-N 3.28Å; Q76-Q78 PolarHBondContact O-N 2.77Å; Q78-K81 WeakPolarHBondContact O-CD 3.23Å; Q78-K81 WeakPolarHBondContact O-CG 3.5Å; Q78-M164 PolarHBondContact OE1-SD 3.31Å |
| 79 | K | 91.7 | Very high | 89.8 | Confident | 160 Ų | 160 | 71 Ų | 71 | 70% | 0.696 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -77.8 | -28.8 | 179 | -62.3 | 178.3 | -176.8 | 172.7 | 0 | 112.3 | Q76 L77 | Q76-K79 WeakPolarHBondContact O-CB 3.4Å; Q76-K79 PolarHBondContact O-N 2.99Å; Q76-K79 VanDerWaalsContact O-N 3.08Å; L77-K79 PolarHBondContact O-N 3.46Å |
| 80 | E | 93.7 | Very high | 90.5 | Very high | 48 Ų | 48 | 72.9 Ų | 72.9 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -105 | 5.2 | -174 | -65.7 | 179.9 | -149.4 | 0 | 0 | 113.6 | Q76 L77 S82 E83 I84 | Q76-E80 PolarHBondContact NE2-OE1 2.96Å; Q76-E80 PolarHBondContact O-N 3.02Å; L77-E80 CarbonylContact O-C 3.56Å; L77-E80 PolarHBondContact O-N 2.83Å; E80-S82 VanDerWaalsContact C-N 3.28Å; E80-S82 PolarHBondContact O-N 3.45Å; E80-S82 VanDerWaalsContact O-N 3.14Å; E80-E83 PolarHBondContact O-N 3.08Å; E80-I84 HydrophobicContact CB-CD1 4.28Å; E80-I84 HydrophobicContact CB-CG1 4.48Å; E80-I84 WeakPolarHBondContact O-CG1 3.37Å; E80-I84 PolarHBondContact O-N 3.29Å |
| 81 | K | 92.9 | Very high | 91.5 | Very high | 52 Ų | 52 | 63.2 Ų | 63.2 | 23% | 0.226 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.7 | -36.5 | -173.4 | 64.6 | -174.5 | -178 | 177.9 | 0 | 114.9 | L77 Q78 L85 A161 M164 | L77-K81 PolarHBondContact O-N 3.41Å; Q78-K81 WeakPolarHBondContact O-CD 3.23Å; Q78-K81 WeakPolarHBondContact O-CG 3.5Å; K81-L85 WeakPolarHBondContact O-CG 3.19Å; K81-L85 PolarHBondContact O-N 3.36Å; K81-L85 VanDerWaalsContact O-N 3.1Å; K81-A161 HydrophobicContact CB-CB 4.04Å; K81-M164 HydrophobicContact CD-CB 4.03Å; K81-M164 PolarHBondContact NZ-O 3.4Å |
| 82 | S | 94 | Very high | 92.4 | Very high | 74 Ų | 74 | 60.8 Ų | 60.8 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69 | -39.3 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | E80 K86 | E80-S82 VanDerWaalsContact C-N 3.28Å; E80-S82 PolarHBondContact O-N 3.45Å; E80-S82 VanDerWaalsContact O-N 3.14Å; S82-K86 PolarHBondContact O-N 3.06Å; S82-K86 VanDerWaalsContact O-N 3.13Å |
| 83 | E | 95.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 41% | 0.407 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.4 | -39.3 | 178.1 | -69 | -58.1 | 132 | 0 | 0 | 111.1 | Y47 E80 L85 K86 N87 | Y47-E83 VanDerWaalsContact OH-C 3.24Å; Y47-E83 WeakPolarHBondContact OH-CB 3.31Å; Y47-E83 PolarHBondContact OH-O 3.37Å; E80-E83 PolarHBondContact O-N 3.08Å; E83-L85 PolarHBondContact O-N 3.39Å; E83-K86 PolarHBondContact O-N 3.2Å; E83-N87 WeakPolarHBondContact O-CB 3.39Å; E83-N87 PolarHBondContact O-N 3.44Å; E83-N87 PolarHBondContact O-ND2 2.99Å |
| 84 | I | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.1 | -67.8 | 171.4 | 0 | 0 | 0 | 110.7 | Y47 L77 E80 K86 L88 L157 A161 | Y47-I84 HydrophobicContact CD1-CD1 4.43Å; Y47-I84 HydrophobicContact CD1-CG1 3.83Å; Y47-I84 HydrophobicContact CD2-CG1 4.41Å; Y47-I84 HydrophobicContact CE1-CG1 3.68Å; Y47-I84 HydrophobicContact CE2-CG1 4.28Å; Y47-I84 HydrophobicContact CG-CG1 4.2Å; L77-I84 HydrophobicContact CD2-CD1 4.27Å; L77-I84 HydrophobicContact CG-CD1 3.76Å; E80-I84 HydrophobicContact CB-CD1 4.28Å; E80-I84 HydrophobicContact CB-CG1 4.48Å; E80-I84 WeakPolarHBondContact O-CG1 3.37Å; E80-I84 PolarHBondContact O-N 3.29Å; I84-K86 VanDerWaalsContact C-N 3.35Å; I84-K86 PolarHBondContact O-N 3.45Å; I84-L88 HydrophobicContact CG2-CD1 3.86Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CB 3.29Å; I84-L88 PolarHBondContact O-N 2.74Å; I84-L157 HydrophobicContact CG2-CB 4.15Å; I84-A161 HydrophobicContact CB-CB 4.05Å; I84-A161 HydrophobicContact CG2-CB 3.79Å |
| 85 | L | 95.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 175.8 | -79.1 | 174.7 | 0 | 0 | 0 | 111.5 | K81 E83 A89 Y158 A161 H162 T165 | K81-L85 WeakPolarHBondContact O-CG 3.19Å; K81-L85 PolarHBondContact O-N 3.36Å; K81-L85 VanDerWaalsContact O-N 3.1Å; E83-L85 PolarHBondContact O-N 3.39Å; L85-A89 VanDerWaalsContact O-CB 3.26Å; L85-A89 WeakPolarHBondContact O-CB 3.47Å; L85-A89 PolarHBondContact O-N 3.5Å; L85-Y158 HydrophobicContact CD2-CD2 3.94Å; L85-Y158 HydrophobicContact CD2-CE1 4.34Å; L85-Y158 HydrophobicContact CD2-CE2 3.65Å; L85-Y158 HydrophobicContact CD2-CG 4.4Å; L85-Y158 WeakPolarHBondContact O-CE2 3.42Å; L85-A161 HydrophobicContact CD2-CB 4.29Å; L85-A161 HydrophobicContact CG-CB 3.96Å; L85-H162 HydrophobicContact CD2-CB 3.82Å; L85-T165 HydrophobicContact CD1-CG2 4.17Å |
| 86 | K | 95.2 | Very high | 95.1 | Very high | 148 Ų | 148 | 51.3 Ų | 51.3 | 64% | 0.643 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.4 | -49.3 | -179.2 | -177.8 | -175.8 | 173.3 | -170.5 | 0 | 112.5 | S82 E83 I84 | S82-K86 PolarHBondContact O-N 3.06Å; S82-K86 VanDerWaalsContact O-N 3.13Å; E83-K86 PolarHBondContact O-N 3.2Å; I84-K86 VanDerWaalsContact C-N 3.35Å; I84-K86 PolarHBondContact O-N 3.45Å |
| 87 | N | 94.4 | Very high | 95.6 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -86.4 | -25.1 | -167.9 | -64.4 | -32.5 | 0 | 0 | 0 | 113.3 | Y47 E83 | Y47-N87 HydrophobicContact CE2-CB 4Å; Y47-N87 PolarHBondContact OH-ND2 3.09Å; E83-N87 WeakPolarHBondContact O-CB 3.39Å; E83-N87 PolarHBondContact O-N 3.44Å; E83-N87 PolarHBondContact O-ND2 2.99Å |
| 88 | L | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -93.6 | -10.2 | 175.6 | -61.3 | -173.1 | 0 | 0 | 0 | 114 | P45 Y47 I84 L90 Y91 Y92 I154 L157 Y158 | P45-L88 HydrophobicContact CB-CD2 3.91Å; P45-L88 HydrophobicContact CG-CD2 4.15Å; Y47-L88 HydrophobicContact CD2-CD1 4.35Å; Y47-L88 HydrophobicContact CD2-CD2 4.14Å; Y47-L88 HydrophobicContact CD2-CG 4.17Å; Y47-L88 HydrophobicContact CE2-CD2 4.41Å; Y47-L88 HydrophobicContact CE2-CG 4.28Å; I84-L88 HydrophobicContact CG2-CD1 3.86Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CB 3.29Å; I84-L88 PolarHBondContact O-N 2.74Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-L90 PolarHBondContact O-N 3Å; L88-Y91 PolarHBondContact O-N 2.97Å; L88-Y91 VanDerWaalsContact O-N 3.14Å; L88-Y92 WeakPolarHBondContact O-CB 3.27Å; L88-Y92 PolarHBondContact O-N 3.08Å; L88-I154 HydrophobicContact CD2-CG2 4.4Å; L88-L157 HydrophobicContact CD1-CB 3.68Å; L88-L157 HydrophobicContact CD1-CD1 4.1Å; L88-Y158 HydrophobicContact CB-CD2 4.23Å |
| 89 | A | 97.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 20% | 0.198 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51.3 | -46 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L85 Y91 Y92 F93 Y158 | L85-A89 VanDerWaalsContact O-CB 3.26Å; L85-A89 WeakPolarHBondContact O-CB 3.47Å; L85-A89 PolarHBondContact O-N 3.5Å; A89-Y91 VanDerWaalsContact C-N 3.31Å; A89-Y91 PolarHBondContact O-N 3.13Å; A89-Y92 PolarHBondContact O-N 3.25Å; A89-F93 HydrophobicContact CB-CD2 4.17Å; A89-F93 HydrophobicContact CB-CE2 4.22Å; A89-F93 WeakPolarHBondContact O-CD2 3.43Å; A89-F93 PolarHBondContact O-N 3.2Å; A89-Y158 HydrophobicContact CB-CE2 3.92Å |
| 90 | L | 96.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 42.5 Ų | 42.5 | 47% | 0.466 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.2 | -45.3 | -179.2 | -177.3 | 66.7 | 0 | 0 | 0 | 112 | R30 L88 T94 | R30-L90 VanDerWaalsContact NH2-CD1 3.31Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-L90 PolarHBondContact O-N 3Å; L90-T94 WeakPolarHBondContact O-CB 3.3Å; L90-T94 PolarHBondContact O-N 3.42Å; L90-T94 PolarHBondContact O-OG1 3.38Å |
| 91 | Y | 97.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.5 | -41.9 | -179 | -69 | 2.6 | 0 | 0 | 0 | 111.1 | I34 A37 P45 L88 A89 T94 F95 I154 | I34-Y91 HydrophobicContact CD1-CD1 3.92Å; I34-Y91 HydrophobicContact CD1-CG 4.16Å; I34-Y91 HydrophobicContact CG1-CD1 3.75Å; I34-Y91 HydrophobicContact CG1-CE1 3.88Å; I34-Y91 HydrophobicContact CG1-CG 4.18Å; I34-Y91 HydrophobicContact CG2-CD2 4.16Å; I34-Y91 HydrophobicContact CG2-CE2 4.31Å; I34-Y91 HydrophobicContact CG2-CG 4.32Å; A37-Y91 WeakPolarHBondContact CB-OH 3.36Å; P45-Y91 HydrophobicContact CG-CD2 4.18Å; P45-Y91 HydrophobicContact CG-CE2 3.69Å; L88-Y91 PolarHBondContact O-N 2.97Å; L88-Y91 VanDerWaalsContact O-N 3.14Å; A89-Y91 VanDerWaalsContact C-N 3.31Å; A89-Y91 PolarHBondContact O-N 3.13Å; Y91-T94 PolarHBondContact O-N 2.83Å; Y91-F95 WeakPolarHBondContact O-CD2 3.24Å; Y91-F95 PolarHBondContact O-N 3.44Å; Y91-F95 VanDerWaalsContact O-N 3.11Å; Y91-I154 HydrophobicContact CD2-CD1 4.16Å; Y91-I154 HydrophobicContact CD2-CG2 4.44Å |
| 92 | Y | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.9 | -54.2 | 177.2 | -179 | -94.2 | 0 | 0 | 0 | 111.8 | L88 A89 T94 F95 V96 I155 Y158 D170 Y173 L176 | L88-Y92 WeakPolarHBondContact O-CB 3.27Å; L88-Y92 PolarHBondContact O-N 3.08Å; A89-Y92 PolarHBondContact O-N 3.25Å; Y92-T94 VanDerWaalsContact C-N 3.28Å; Y92-T94 PolarHBondContact O-N 2.95Å; Y92-F95 WeakPolarHBondContact O-CB 3.25Å; Y92-F95 PolarHBondContact O-N 2.65Å; Y92-V96 HydrophobicContact CD1-CG2 4.07Å; Y92-V96 HydrophobicContact CE1-CG2 3.73Å; Y92-V96 PolarHBondContact O-N 3.08Å; Y92-I155 HydrophobicContact CD2-CB 4.46Å; Y92-I155 HydrophobicContact CD2-CG1 4.49Å; Y92-I155 HydrophobicContact CD2-CG2 4.18Å; Y92-I155 HydrophobicContact CE2-CG2 3.87Å; Y92-Y158 AromaticContact CD1-CD1 3.59Å; Y92-Y158 HydrophobicContact CD1-CD1 3.59Å; Y92-Y158 AromaticContact CD1-CE1 3.42Å; Y92-Y158 HydrophobicContact CD1-CE1 3.42Å; Y92-Y158 VanDerWaalsContact CD1-CE1 3.42Å; Y92-Y158 HydrophobicContact CD1-CG 4.32Å; Y92-Y158 AromaticContact CD2-CD1 3.36Å; Y92-Y158 HydrophobicContact CD2-CD1 3.36Å; Y92-Y158 HydrophobicContact CD2-CE1 4.11Å; Y92-Y158 AromaticContact CD2-CG 3.79Å; Y92-Y158 HydrophobicContact CD2-CG 3.79Å; Y92-Y158 AromaticContact CE1-CD1 3.85Å; Y92-Y158 HydrophobicContact CE1-CD1 3.85Å; Y92-Y158 AromaticContact CE1-CE1 3.61Å; Y92-Y158 HydrophobicContact CE1-CE1 3.61Å; Y92-Y158 AromaticContact CE2-CD1 3.63Å; Y92-Y158 HydrophobicContact CE2-CD1 3.63Å; Y92-Y158 HydrophobicContact CE2-CE1 4.25Å; Y92-Y158 HydrophobicContact CE2-CG 4.45Å; Y92-Y158 AromaticContact CG-CD1 3.34Å; Y92-Y158 HydrophobicContact CG-CD1 3.34Å; Y92-Y158 HydrophobicContact CG-CD2 4.36Å; Y92-Y158 AromaticContact CG-CE1 3.7Å; Y92-Y158 HydrophobicContact CG-CE1 3.7Å; Y92-Y158 AromaticContact CG-CG 3.72Å; Y92-Y158 HydrophobicContact CG-CG 3.72Å; Y92-Y158 AromaticContact CZ-CD1 3.88Å; Y92-D170 HydrophobicContact CE1-CB 4.49Å; Y92-D170 WeakPolarHBondContact CE1-OD1 3.41Å; Y92-D170 WeakPolarHBondContact OH-CB 3.35Å; Y92-D170 VanDerWaalsContact OH-CG 3.27Å; Y92-D170 PolarHBondContact OH-OD1 2.94Å; Y92-Y173 WeakPolarHBondContact OH-CA 3.39Å; Y92-Y173 WeakPolarHBondContact OH-CB 3.4Å; Y92-Y173 PolarHBondContact OH-N 3.05Å; Y92-L176 HydrophobicContact CD2-CD2 4.23Å; Y92-L176 HydrophobicContact CE2-CD2 3.76Å |
| 93 | F | 98.2 | Very high | 97.3 | Very high | 89 Ų | 89 | 37.8 Ų | 37.8 | 39% | 0.39 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.5 | -25.9 | -178.8 | -70.9 | -65.1 | 0 | 0 | 0 | 112.9 | A89 F95 V96 D97 Y158 | A89-F93 HydrophobicContact CB-CD2 4.17Å; A89-F93 HydrophobicContact CB-CE2 4.22Å; A89-F93 WeakPolarHBondContact O-CD2 3.43Å; A89-F93 PolarHBondContact O-N 3.2Å; F93-F95 VanDerWaalsContact C-N 3.32Å; F93-F95 PolarHBondContact O-N 3.09Å; F93-V96 HydrophobicContact CD1-CG2 4.25Å; F93-V96 WeakPolarHBondContact O-CB 3.48Å; F93-V96 PolarHBondContact O-N 2.88Å; F93-D97 PolarHBondContact O-N 2.61Å; F93-Y158 VanDerWaalsContact CE2-OH 3.3Å; F93-Y158 WeakPolarHBondContact CE2-OH 3.13Å; F93-Y158 WeakPolarHBondContact CZ-OH 3.26Å |
| 94 | T | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -38 | 168.7 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | R30 V31 I34 L90 Y91 Y92 D97 V98 | R30-T94 HydrophobicContact CB-CG2 3.72Å; R30-T94 PolarHBondContact NE-OG1 2.9Å; R30-T94 PolarHBondContact NH2-OG1 3.1Å; R30-T94 VanDerWaalsContact NH2-OG1 3.15Å; V31-T94 HydrophobicContact CG2-CG2 4.41Å; I34-T94 HydrophobicContact CD1-CG2 3.58Å; L90-T94 WeakPolarHBondContact O-CB 3.3Å; L90-T94 PolarHBondContact O-N 3.42Å; L90-T94 PolarHBondContact O-OG1 3.38Å; Y91-T94 PolarHBondContact O-N 2.83Å; Y92-T94 VanDerWaalsContact C-N 3.28Å; Y92-T94 PolarHBondContact O-N 2.95Å; T94-D97 PolarHBondContact O-N 3.34Å; T94-V98 WeakPolarHBondContact O-CG2 3.21Å; T94-V98 PolarHBondContact O-N 3.16Å; T94-V98 VanDerWaalsContact O-N 3.12Å |
| 95 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.4 | -32.3 | 174 | -62.5 | -54.5 | 0 | 0 | 0 | 112.8 | I34 Y91 Y92 F93 V98 M99 L145 I148 R151 I154 I155 L176 | I34-F95 HydrophobicContact CG2-CZ 4.05Å; Y91-F95 WeakPolarHBondContact O-CD2 3.24Å; Y91-F95 PolarHBondContact O-N 3.44Å; Y91-F95 VanDerWaalsContact O-N 3.11Å; Y92-F95 WeakPolarHBondContact O-CB 3.25Å; Y92-F95 PolarHBondContact O-N 2.65Å; F93-F95 VanDerWaalsContact C-N 3.32Å; F93-F95 PolarHBondContact O-N 3.09Å; F95-V98 PolarHBondContact O-N 3.2Å; F95-M99 PolarHBondContact O-N 3.25Å; F95-M99 VanDerWaalsContact O-N 3.13Å; F95-L145 HydrophobicContact CD1-CD1 3.49Å; F95-L145 VanDerWaalsContact CD1-CD1 3.49Å; F95-L145 HydrophobicContact CE1-CD1 3.43Å; F95-L145 VanDerWaalsContact CE1-CD1 3.43Å; F95-I148 HydrophobicContact CE1-CD1 3.92Å; F95-I148 HydrophobicContact CZ-CD1 4.24Å; F95-I148 HydrophobicContact CZ-CG2 4.35Å; F95-R151 HydrophobicContact CE1-CB 4.46Å; F95-R151 HydrophobicContact CE2-CB 4.47Å; F95-R151 HydrophobicContact CZ-CB 4.05Å; F95-I154 HydrophobicContact CE2-CB 4.48Å; F95-I154 HydrophobicContact CE2-CG2 4.15Å; F95-I155 HydrophobicContact CB-CD1 4.17Å; F95-I155 HydrophobicContact CD2-CD1 3.75Å; F95-I155 HydrophobicContact CD2-CG1 3.6Å; F95-I155 HydrophobicContact CE2-CD1 4.34Å; F95-I155 HydrophobicContact CE2-CG1 4.13Å; F95-I155 HydrophobicContact CG-CD1 4.04Å; F95-I155 HydrophobicContact CG-CG1 4.33Å; F95-L176 HydrophobicContact CB-CD1 3.94Å; F95-L176 HydrophobicContact CB-CD2 4.2Å; F95-L176 WeakPolarHBondContact O-CD1 3.49Å |
| 96 | V | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 170.3 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | Y92 F93 V98 M99 E100 E172 L176 | Y92-V96 HydrophobicContact CD1-CG2 4.07Å; Y92-V96 HydrophobicContact CE1-CG2 3.73Å; Y92-V96 PolarHBondContact O-N 3.08Å; F93-V96 HydrophobicContact CD1-CG2 4.25Å; F93-V96 WeakPolarHBondContact O-CB 3.48Å; F93-V96 PolarHBondContact O-N 2.88Å; V96-V98 VanDerWaalsContact C-N 3.26Å; V96-V98 PolarHBondContact O-N 3.4Å; V96-M99 HydrophobicContact CG1-CE 4.48Å; V96-M99 WeakPolarHBondContact O-CA 3.27Å; V96-M99 WeakPolarHBondContact O-CB 3.43Å; V96-M99 PolarHBondContact O-N 3.36Å; V96-E100 HydrophobicContact CG1-CG 4.46Å; V96-E100 PolarHBondContact O-N 3.03Å; V96-E172 HydrophobicContact CG1-CB 4.17Å; V96-E172 HydrophobicContact CG1-CG 3.91Å; V96-E172 HydrophobicContact CG2-CB 4.01Å; V96-E172 HydrophobicContact CG2-CG 4.46Å; V96-L176 HydrophobicContact CG2-CD2 3.9Å |
| 97 | D | 98.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58 | -38.1 | 177.6 | -75.9 | -45.6 | 0 | 0 | 0 | 112.3 | R23 M27 F93 T94 M99 E100 F101 | R23-D97 IonicContact NH2-OD1 2.63Å; R23-D97 PolarHBondContact NH2-OD1 3.24Å; R23-D97 VanDerWaalsContact NH2-OD1 3.1Å; R23-D97 IonicContact NH2-OD2 3.1Å; M27-D97 HydrophobicContact CE-CB 4.46Å; M27-D97 HydrophobicContact SD-CB 3.61Å; F93-D97 PolarHBondContact O-N 2.61Å; T94-D97 PolarHBondContact O-N 3.34Å; D97-M99 VanDerWaalsContact C-N 3.35Å; D97-E100 PolarHBondContact O-N 2.79Å; D97-F101 VanDerWaalsContact O-CB 3.27Å; D97-F101 WeakPolarHBondContact O-CB 3.24Å; D97-F101 PolarHBondContact O-N 3.33Å |
| 98 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 175 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | M27 V31 T94 F95 V96 K102 L141 M142 L145 M179 | M27-V98 HydrophobicContact CB-CG2 4.41Å; M27-V98 HydrophobicContact SD-CG2 4.35Å; V31-V98 HydrophobicContact CG2-CG2 3.57Å; T94-V98 WeakPolarHBondContact O-CG2 3.21Å; T94-V98 PolarHBondContact O-N 3.16Å; T94-V98 VanDerWaalsContact O-N 3.12Å; F95-V98 PolarHBondContact O-N 3.2Å; V96-V98 VanDerWaalsContact C-N 3.26Å; V96-V98 PolarHBondContact O-N 3.4Å; V98-K102 WeakPolarHBondContact O-CB 3.29Å; V98-K102 PolarHBondContact O-N 3.28Å; V98-L141 HydrophobicContact CG1-CD2 4.01Å; V98-L141 HydrophobicContact CG1-CG 4.18Å; V98-L141 HydrophobicContact CG2-CD1 4.35Å; V98-L141 HydrophobicContact CG2-CD2 4.46Å; V98-M142 HydrophobicContact CG1-SD 4.42Å; V98-L145 HydrophobicContact CG1-CD2 4.15Å; V98-M179 HydrophobicContact CG1-CE 4.48Å |
| 99 | M | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -46.1 | 175.3 | 179.1 | -175.9 | 66 | 0 | 0 | 111.6 | F95 V96 D97 F101 K102 D103 E172 R175 L176 M179 | F95-M99 PolarHBondContact O-N 3.25Å; F95-M99 VanDerWaalsContact O-N 3.13Å; V96-M99 HydrophobicContact CG1-CE 4.48Å; V96-M99 WeakPolarHBondContact O-CA 3.27Å; V96-M99 WeakPolarHBondContact O-CB 3.43Å; V96-M99 PolarHBondContact O-N 3.36Å; D97-M99 VanDerWaalsContact C-N 3.35Å; M99-F101 VanDerWaalsContact C-N 3.34Å; M99-F101 PolarHBondContact O-N 3.34Å; M99-K102 WeakPolarHBondContact O-CB 3.4Å; M99-K102 PolarHBondContact O-N 3.16Å; M99-D103 PolarHBondContact O-N 2.95Å; M99-E172 HydrophobicContact CE-CB 4.3Å; M99-R175 HydrophobicContact CE-CB 4.08Å; M99-R175 HydrophobicContact SD-CB 3.59Å; M99-R175 VanDerWaalsContact SD-CB 3.59Å; M99-L176 HydrophobicContact CB-CD1 4.39Å; M99-L176 HydrophobicContact CE-CB 4.4Å; M99-L176 VanDerWaalsContact SD-CA 3.52Å; M99-L176 HydrophobicContact SD-CB 4.08Å; M99-L176 PolarHBondContact SD-N 2.87Å; M99-M179 VanDerWaalsContact CA-SD 3.52Å; M99-M179 HydrophobicContact CB-CE 3.91Å; M99-M179 HydrophobicContact CB-SD 3.57Å; M99-M179 VanDerWaalsContact CB-SD 3.57Å; M99-M179 HydrophobicContact CG-SD 3.8Å |
| 100 | E | 97.8 | Very high | 97.9 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 35% | 0.346 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.6 | -68.6 | -175.4 | -179.5 | 0 | 0 | 111.3 | V96 D97 K102 D103 H104 | V96-E100 HydrophobicContact CG1-CG 4.46Å; V96-E100 PolarHBondContact O-N 3.03Å; D97-E100 PolarHBondContact O-N 2.79Å; E100-K102 VanDerWaalsContact C-N 3.34Å; E100-K102 PolarHBondContact O-N 3.48Å; E100-D103 PolarHBondContact O-N 3.47Å; E100-H104 PolarHBondContact O-N 2.84Å; E100-H104 VanDerWaalsContact O-N 3.11Å; E100-H104 PolarHBondContact O-ND1 2.84Å |
| 101 | F | 98.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.9 | -49 | 172.8 | 170.1 | -103.1 | 0 | 0 | 0 | 111.3 | L20 R23 M27 D97 M99 D103 H104 V105 L134 T137 L141 | L20-F101 HydrophobicContact CB-CE2 4.29Å; L20-F101 HydrophobicContact CD2-CD2 4.23Å; L20-F101 HydrophobicContact CD2-CE2 4.32Å; L20-F101 VanDerWaalsContact O-CE2 3.27Å; L20-F101 WeakPolarHBondContact O-CE2 3.41Å; R23-F101 HydrophobicContact CB-CD2 4.47Å; R23-F101 HydrophobicContact CG-CD2 4.07Å; M27-F101 HydrophobicContact CG-CB 4.36Å; M27-F101 HydrophobicContact CG-CG 4.43Å; D97-F101 VanDerWaalsContact O-CB 3.27Å; D97-F101 WeakPolarHBondContact O-CB 3.24Å; D97-F101 PolarHBondContact O-N 3.33Å; M99-F101 VanDerWaalsContact C-N 3.34Å; M99-F101 PolarHBondContact O-N 3.34Å; F101-D103 VanDerWaalsContact C-N 3.29Å; F101-D103 PolarHBondContact O-N 2.66Å; F101-H104 PolarHBondContact O-N 2.87Å; F101-V105 HydrophobicContact CD1-CG2 4.34Å; F101-V105 HydrophobicContact CD2-CG2 4.21Å; F101-V105 HydrophobicContact CE1-CG2 3.86Å; F101-V105 HydrophobicContact CE2-CG2 3.69Å; F101-V105 HydrophobicContact CZ-CG2 3.52Å; F101-V105 WeakPolarHBondContact O-CG2 3.45Å; F101-V105 PolarHBondContact O-N 3.49Å; F101-L134 HydrophobicContact CE2-CD1 4.21Å; F101-L134 HydrophobicContact CZ-CD1 3.96Å; F101-T137 HydrophobicContact CZ-CG2 4.41Å; F101-L141 HydrophobicContact CD1-CD2 3.5Å; F101-L141 HydrophobicContact CE1-CD2 3.66Å |
| 102 | K | 98.1 | Very high | 97.9 | Very high | 22 Ų | 22 | 30 Ų | 30 | 10% | 0.096 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.4 | -47.4 | 175.6 | -177.7 | -151.7 | 69.9 | 60.6 | 0 | 111.1 | V98 M99 E100 H104 V105 C106 Y138 M179 Y183 | V98-K102 WeakPolarHBondContact O-CB 3.29Å; V98-K102 PolarHBondContact O-N 3.28Å; M99-K102 WeakPolarHBondContact O-CB 3.4Å; M99-K102 PolarHBondContact O-N 3.16Å; E100-K102 VanDerWaalsContact C-N 3.34Å; E100-K102 PolarHBondContact O-N 3.48Å; K102-H104 PolarHBondContact O-N 3.47Å; K102-V105 PolarHBondContact O-N 3.26Å; K102-C106 PolarHBondContact O-N 3.11Å; K102-C106 PolarHBondContact O-SG 3.39Å; K102-Y138 HydrophobicContact CB-CE2 4.22Å; K102-Y138 HydrophobicContact CD-CE2 4.49Å; K102-Y138 HydrophobicContact CG-CE2 3.56Å; K102-Y138 WeakPolarHBondContact CG-OH 3.35Å; K102-M179 HydrophobicContact CD-CG 4.22Å; K102-M179 HydrophobicContact CD-SD 4.01Å; K102-Y183 HydrophobicContact CD-CE2 3.85Å |
| 103 | D | 97.1 | Very high | 97.7 | Very high | 46 Ų | 46 | 31.6 Ų | 31.6 | 25% | 0.246 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | -178.5 | -66.3 | -28.3 | 0 | 0 | 0 | 112.5 | M99 E100 F101 V105 C106 E107 R175 | M99-D103 PolarHBondContact O-N 2.95Å; E100-D103 PolarHBondContact O-N 3.47Å; F101-D103 VanDerWaalsContact C-N 3.29Å; F101-D103 PolarHBondContact O-N 2.66Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 2.74Å; D103-C106 PolarHBondContact O-N 2.97Å; D103-E107 PolarHBondContact O-N 2.72Å; D103-R175 IonicContact OD1-NH2 2.78Å; D103-R175 IonicContact OD2-CZ 2.63Å; D103-R175 IonicContact OD2-NH1 3.91Å; D103-R175 IonicContact OD2-NH2 3.98Å; D103-R175 PolarHBondContact OD2-NH2 3.46Å |
| 104 | H | 98.1 | Very high | 97.5 | Very high | 97 Ų | 97 | 30.3 Ų | 30.3 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.9 | -37 | 176.5 | -69.4 | 89 | 0 | 0 | 0 | 112.3 | L20 E100 F101 K102 L108 | L20-H104 HydrophobicContact CD1-CB 4.2Å; L20-H104 HydrophobicContact CD2-CB 3.84Å; E100-H104 PolarHBondContact O-N 2.84Å; E100-H104 VanDerWaalsContact O-N 3.11Å; E100-H104 PolarHBondContact O-ND1 2.84Å; F101-H104 PolarHBondContact O-N 2.87Å; K102-H104 PolarHBondContact O-N 3.47Å; H104-L108 WeakPolarHBondContact O-CB 3.38Å; H104-L108 PolarHBondContact O-N 3.22Å |
| 105 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -51.1 | 174.1 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | L20 F101 K102 D103 E107 L108 L109 L134 Y138 | L20-V105 HydrophobicContact CD1-CG2 4.47Å; F101-V105 HydrophobicContact CD1-CG2 4.34Å; F101-V105 HydrophobicContact CD2-CG2 4.21Å; F101-V105 HydrophobicContact CE1-CG2 3.86Å; F101-V105 HydrophobicContact CE2-CG2 3.69Å; F101-V105 HydrophobicContact CZ-CG2 3.52Å; F101-V105 WeakPolarHBondContact O-CG2 3.45Å; F101-V105 PolarHBondContact O-N 3.49Å; K102-V105 PolarHBondContact O-N 3.26Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 2.74Å; V105-E107 VanDerWaalsContact C-N 3.29Å; V105-E107 PolarHBondContact O-N 2.97Å; V105-L108 PolarHBondContact O-N 2.94Å; V105-L108 VanDerWaalsContact O-N 3.14Å; V105-L109 HydrophobicContact CG1-CD1 3.9Å; V105-L109 HydrophobicContact CG1-CG 4.14Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.15Å; V105-L109 PolarHBondContact O-N 2.97Å; V105-L134 HydrophobicContact CG1-CD2 4.36Å; V105-L134 HydrophobicContact CG1-CG 4.25Å; V105-L134 HydrophobicContact CG2-CD1 3.85Å; V105-L134 HydrophobicContact CG2-CD2 4.27Å; V105-L134 HydrophobicContact CG2-CG 4.14Å; V105-Y138 HydrophobicContact CG1-CD1 3.77Å; V105-Y138 HydrophobicContact CG1-CE1 4.45Å; V105-Y138 HydrophobicContact CG1-CG 4.06Å |
| 106 | C | 97.2 | Very high | 97.2 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.3 | -42.7 | 178.5 | -60 | 0 | 0 | 0 | 0 | 111.5 | K102 D103 L109 N110 E193 | K102-C106 PolarHBondContact O-N 3.11Å; K102-C106 PolarHBondContact O-SG 3.39Å; D103-C106 PolarHBondContact O-N 2.97Å; C106-L109 PolarHBondContact O-N 3.28Å; C106-N110 WeakPolarHBondContact O-CB 3.34Å; C106-N110 VanDerWaalsContact O-CG 3.28Å; C106-N110 PolarHBondContact O-N 3.44Å; C106-N110 PolarHBondContact O-ND2 3.31Å; C106-E193 PolarHBondContact SG-OE1 3.02Å |
| 107 | E | 97.3 | Very high | 97.1 | Very high | 113 Ų | 113 | 37.1 Ų | 37.1 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 176.4 | -174.2 | -174.9 | -174.1 | 0 | 0 | 112 | D103 V105 N110 T111 | D103-E107 PolarHBondContact O-N 2.72Å; V105-E107 VanDerWaalsContact C-N 3.29Å; V105-E107 PolarHBondContact O-N 2.97Å; E107-N110 PolarHBondContact O-N 3.23Å; E107-T111 PolarHBondContact O-N 3.32Å; E107-T111 PolarHBondContact O-OG1 3.03Å |
| 108 | L | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 179 | -178.2 | 59 | 0 | 0 | 0 | 112.1 | L13 K16 L17 L20 H104 V105 N110 T111 I112 L134 | L13-L108 HydrophobicContact CD2-CD1 3.78Å; K16-L108 HydrophobicContact CB-CD1 4.07Å; K16-L108 HydrophobicContact CB-CD2 3.94Å; K16-L108 HydrophobicContact CD-CD1 3.97Å; L17-L108 HydrophobicContact CD2-CD2 3.74Å; L17-L108 HydrophobicContact CG-CD2 4Å; L20-L108 HydrophobicContact CD1-CB 4.42Å; L20-L108 HydrophobicContact CD1-CD2 3.8Å; H104-L108 WeakPolarHBondContact O-CB 3.38Å; H104-L108 PolarHBondContact O-N 3.22Å; V105-L108 PolarHBondContact O-N 2.94Å; V105-L108 VanDerWaalsContact O-N 3.14Å; L108-N110 VanDerWaalsContact C-N 3.35Å; L108-N110 PolarHBondContact O-N 3.25Å; L108-T111 WeakPolarHBondContact O-CB 3.31Å; L108-T111 PolarHBondContact O-N 3.41Å; L108-T111 VanDerWaalsContact O-N 3.14Å; L108-I112 HydrophobicContact CD1-CD1 4.38Å; L108-I112 HydrophobicContact CD1-CG1 4.44Å; L108-I112 HydrophobicContact CG-CD1 4.13Å; L108-I112 WeakPolarHBondContact O-CG1 3.3Å; L108-I112 PolarHBondContact O-N 3.23Å; L108-L134 HydrophobicContact CD2-CD2 3.85Å |
| 109 | L | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 176.5 | -66.2 | 178.7 | 0 | 0 | 0 | 111.4 | V105 C106 T111 I112 D113 Y131 V135 F194 | V105-L109 HydrophobicContact CG1-CD1 3.9Å; V105-L109 HydrophobicContact CG1-CG 4.14Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.15Å; V105-L109 PolarHBondContact O-N 2.97Å; C106-L109 PolarHBondContact O-N 3.28Å; L109-T111 VanDerWaalsContact C-N 3.29Å; L109-T111 PolarHBondContact O-N 2.97Å; L109-I112 PolarHBondContact O-N 3.18Å; L109-D113 PolarHBondContact O-N 3.14Å; L109-Y131 HydrophobicContact CD2-CD2 4.17Å; L109-Y131 HydrophobicContact CD2-CE2 3.5Å; L109-Y131 VanDerWaalsContact CD2-CE2 3.5Å; L109-V135 HydrophobicContact CD2-CG2 3.95Å; L109-F194 HydrophobicContact CD1-CE1 3.93Å; L109-F194 HydrophobicContact CD1-CE2 4.43Å; L109-F194 HydrophobicContact CD1-CZ 3.64Å |
| 110 | N | 96.8 | Very high | 97.1 | Very high | 86 Ų | 86 | 38.2 Ų | 38.2 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 173.9 | -73.3 | -44.4 | 0 | 0 | 0 | 112.4 | C106 E107 L108 D113 A114 H197 | C106-N110 WeakPolarHBondContact O-CB 3.34Å; C106-N110 VanDerWaalsContact O-CG 3.28Å; C106-N110 PolarHBondContact O-N 3.44Å; C106-N110 PolarHBondContact O-ND2 3.31Å; E107-N110 PolarHBondContact O-N 3.23Å; L108-N110 VanDerWaalsContact C-N 3.35Å; L108-N110 PolarHBondContact O-N 3.25Å; N110-D113 PolarHBondContact O-N 3.29Å; N110-A114 WeakPolarHBondContact O-CB 3.28Å; N110-A114 PolarHBondContact O-N 3.06Å; N110-H197 PolarHBondContact OD1-CE1 3.08Å |
| 111 | T | 96.5 | Very high | 97.1 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 10% | 0.104 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | M6 Q11 L13 E107 L108 L109 D113 A114 C115 | M6-T111 HydrophobicContact CE-CG2 3.62Å; Q11-T111 HydrophobicContact CB-CG2 4.18Å; Q11-T111 HydrophobicContact CG-CG2 4.1Å; L13-T111 HydrophobicContact CD2-CG2 4.11Å; E107-T111 PolarHBondContact O-N 3.32Å; E107-T111 PolarHBondContact O-OG1 3.03Å; L108-T111 WeakPolarHBondContact O-CB 3.31Å; L108-T111 PolarHBondContact O-N 3.41Å; L108-T111 VanDerWaalsContact O-N 3.14Å; L109-T111 VanDerWaalsContact C-N 3.29Å; L109-T111 PolarHBondContact O-N 2.97Å; T111-D113 VanDerWaalsContact C-N 3.35Å; T111-D113 PolarHBondContact O-N 2.85Å; T111-A114 PolarHBondContact O-N 3.17Å; T111-C115 WeakPolarHBondContact O-CB 3.27Å; T111-C115 PolarHBondContact O-N 3.19Å; T111-C115 PolarHBondContact O-SG 2.76Å; T111-C115 VanDerWaalsContact O-SG 3.4Å |
| 112 | I | 96.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 178.1 | -72.1 | 171.3 | 0 | 0 | 0 | 111 | L13 L17 L108 L109 C115 Q116 V117 F119 Y131 | L13-I112 HydrophobicContact CD2-CG1 4.07Å; L17-I112 HydrophobicContact CD2-CD1 4.47Å; L108-I112 HydrophobicContact CD1-CD1 4.38Å; L108-I112 HydrophobicContact CD1-CG1 4.44Å; L108-I112 HydrophobicContact CG-CD1 4.13Å; L108-I112 WeakPolarHBondContact O-CG1 3.3Å; L108-I112 PolarHBondContact O-N 3.23Å; L109-I112 PolarHBondContact O-N 3.18Å; I112-C115 PolarHBondContact O-N 3.18Å; I112-Q116 PolarHBondContact O-N 3.42Å; I112-V117 HydrophobicContact CB-CG2 4.47Å; I112-V117 HydrophobicContact CG2-CB 4.11Å; I112-V117 HydrophobicContact CG2-CG2 3.93Å; I112-F119 HydrophobicContact CG2-CE2 3.77Å; I112-F119 HydrophobicContact CG2-CZ 3.8Å; I112-Y131 HydrophobicContact CD1-CD2 3.63Å; I112-Y131 HydrophobicContact CD1-CE2 3.95Å; I112-Y131 HydrophobicContact CG2-CD2 4.49Å; I112-Y131 HydrophobicContact CG2-CE2 4.11Å |
| 113 | D | 94.3 | Very high | 97.1 | Very high | 33 Ų | 33 | 33.8 Ų | 33.8 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.7 | -73.5 | -14.3 | 0 | 0 | 0 | 112.4 | L109 N110 T111 C115 Q116 H197 S200 | L109-D113 PolarHBondContact O-N 3.14Å; N110-D113 PolarHBondContact O-N 3.29Å; T111-D113 VanDerWaalsContact C-N 3.35Å; T111-D113 PolarHBondContact O-N 2.85Å; D113-C115 VanDerWaalsContact C-N 3.25Å; D113-C115 PolarHBondContact O-N 3.21Å; D113-Q116 WeakPolarHBondContact O-CG 3.37Å; D113-Q116 PolarHBondContact O-N 3.02Å; D113-H197 IonicContact OD1-ND1 3.85Å; D113-H197 WeakPolarHBondContact OD2-CA 3.47Å; D113-H197 IonicContact OD2-CE1 2.7Å; D113-H197 PolarHBondContact OD2-CE1 3.37Å; D113-H197 IonicContact OD2-CG 3.49Å; D113-H197 PolarHBondContact OD2-N 2.84Å; D113-H197 IonicContact OD2-ND1 3.63Å; D113-H197 PolarHBondContact OD2-ND1 3.33Å; D113-S200 PolarHBondContact OD1-OG 2.86Å |
| 114 | A | 94.8 | Very high | 97.2 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 51% | 0.512 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.7 | -34.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M6 N110 T111 Q116 | M6-A114 HydrophobicContact CE-CB 4.09Å; M6-A114 HydrophobicContact SD-CB 3.91Å; N110-A114 WeakPolarHBondContact O-CB 3.28Å; N110-A114 PolarHBondContact O-N 3.06Å; T111-A114 PolarHBondContact O-N 3.17Å; A114-Q116 VanDerWaalsContact C-N 3.29Å |
| 115 | C | 94.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74.2 | -16.7 | 173.7 | -75.3 | 0 | 0 | 0 | 0 | 113.8 | T111 I112 D113 V117 V497 S498 | T111-C115 WeakPolarHBondContact O-CB 3.27Å; T111-C115 PolarHBondContact O-N 3.19Å; T111-C115 PolarHBondContact O-SG 2.76Å; T111-C115 VanDerWaalsContact O-SG 3.4Å; I112-C115 PolarHBondContact O-N 3.18Å; D113-C115 VanDerWaalsContact C-N 3.25Å; D113-C115 PolarHBondContact O-N 3.21Å; C115-V117 HydrophobicContact CB-CG2 3.82Å; C115-V117 PolarHBondContact O-N 3.17Å; C115-V497 HydrophobicContact CB-CB 4.3Å; C115-V497 HydrophobicContact CB-CG1 3.82Å; C115-S498 WeakPolarHBondContact O-CB 3.33Å; C115-S498 PolarHBondContact O-N 2.97Å; C115-S498 PolarHBondContact O-OG 3.39Å |
| 116 | Q | 95.3 | Very high | 97.2 | Very high | 140 Ų | 140 | 29 Ų | 29 | 65% | 0.654 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 56.9 | -174.9 | -58.3 | 178.2 | 6 | 0 | 0 | 111.5 | I112 D113 A114 | I112-Q116 PolarHBondContact O-N 3.42Å; D113-Q116 WeakPolarHBondContact O-CG 3.37Å; D113-Q116 PolarHBondContact O-N 3.02Å; A114-Q116 VanDerWaalsContact C-N 3.29Å |
| 117 | V | 97.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 4% | 0.036 | 15% | 0.149 | C | C | . | . | trans | -65.5 | 133.9 | -175.3 | 180 | 0 | 0 | 0 | 0 | 111.2 | L13 I112 C115 F119 L127 S496 V497 | L13-V117 HydrophobicContact CD1-CG2 4.01Å; I112-V117 HydrophobicContact CB-CG2 4.47Å; I112-V117 HydrophobicContact CG2-CB 4.11Å; I112-V117 HydrophobicContact CG2-CG2 3.93Å; C115-V117 HydrophobicContact CB-CG2 3.82Å; C115-V117 PolarHBondContact O-N 3.17Å; V117-F119 HydrophobicContact CB-CD2 4.35Å; V117-F119 HydrophobicContact CB-CE2 3.74Å; V117-F119 HydrophobicContact CB-CZ 3.98Å; V117-F119 HydrophobicContact CG1-CD1 4.32Å; V117-F119 HydrophobicContact CG1-CD2 4.18Å; V117-F119 HydrophobicContact CG1-CE1 3.95Å; V117-F119 HydrophobicContact CG1-CE2 3.76Å; V117-F119 HydrophobicContact CG1-CG 4.46Å; V117-F119 HydrophobicContact CG1-CZ 3.64Å; V117-L127 HydrophobicContact CG1-CD2 3.83Å; V117-S496 CarbonylContact C-O 3.39Å; V117-S496 WeakPolarHBondContact CA-O 3.11Å; V117-V497 HydrophobicContact CG2-CG1 4.23Å | ||
| 118 | F | 98.1 | Very high | 97.3 | Very high | 57 Ų | 57 | 22.8 Ų | 22.8 | 25% | 0.25 | 12% | 0.124 | C | C | . | . | trans | -75.2 | 127.9 | 167.6 | 171.3 | -102.9 | 0 | 0 | 0 | 110.2 | D120 N124 S496 I504 A505 | F118-D120 HydrophobicContact CE1-CB 3.71Å; F118-D120 HydrophobicContact CE2-CB 4.35Å; F118-D120 HydrophobicContact CZ-CB 3.49Å; F118-D120 VanDerWaalsContact CZ-CB 3.49Å; F118-N124 PolarHBondContact O-ND2 3.03Å; F118-S496 PolarHBondContact N-O 3.31Å; F118-I504 HydrophobicContact CD1-CG2 3.74Å; F118-I504 HydrophobicContact CE1-CG2 4.17Å; F118-A505 HydrophobicContact CD1-CB 4.13Å; F118-A505 HydrophobicContact CD2-CB 4.03Å; F118-A505 HydrophobicContact CE1-CB 4.16Å; F118-A505 HydrophobicContact CE2-CB 4.06Å; F118-A505 HydrophobicContact CG-CB 4.06Å; F118-A505 HydrophobicContact CZ-CB 4.13Å | ||
| 119 | F | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | trans | -123 | 127.3 | 176.7 | -70.6 | -73.8 | 0 | 0 | 0 | 110.9 | I112 V117 L127 T128 Y131 A204 | I112-F119 HydrophobicContact CG2-CE2 3.77Å; I112-F119 HydrophobicContact CG2-CZ 3.8Å; V117-F119 HydrophobicContact CB-CD2 4.35Å; V117-F119 HydrophobicContact CB-CE2 3.74Å; V117-F119 HydrophobicContact CB-CZ 3.98Å; V117-F119 HydrophobicContact CG1-CD1 4.32Å; V117-F119 HydrophobicContact CG1-CD2 4.18Å; V117-F119 HydrophobicContact CG1-CE1 3.95Å; V117-F119 HydrophobicContact CG1-CE2 3.76Å; V117-F119 HydrophobicContact CG1-CG 4.46Å; V117-F119 HydrophobicContact CG1-CZ 3.64Å; F119-L127 HydrophobicContact CD1-CG 4.33Å; F119-L127 HydrophobicContact CE1-CD1 4.35Å; F119-L127 HydrophobicContact CE1-CD2 4.46Å; F119-L127 HydrophobicContact CE1-CG 3.85Å; F119-T128 HydrophobicContact CB-CG2 4.38Å; F119-T128 HydrophobicContact CD1-CG2 4.43Å; F119-Y131 HydrophobicContact CD1-CD1 4.46Å; F119-Y131 AromaticContact CE1-CD1 3.99Å; F119-Y131 HydrophobicContact CE1-CD1 3.99Å; F119-Y131 HydrophobicContact CE1-CD2 4.49Å; F119-Y131 AromaticContact CE1-CG 3.8Å; F119-Y131 HydrophobicContact CE1-CG 3.8Å; F119-Y131 HydrophobicContact CE2-CD1 4.16Å; F119-Y131 HydrophobicContact CE2-CE1 4.21Å; F119-Y131 HydrophobicContact CE2-CG 4.34Å; F119-Y131 AromaticContact CZ-CD1 3.83Å; F119-Y131 HydrophobicContact CZ-CD1 3.83Å; F119-Y131 AromaticContact CZ-CD2 3.91Å; F119-Y131 HydrophobicContact CZ-CD2 3.91Å; F119-Y131 HydrophobicContact CZ-CE1 4.29Å; F119-Y131 HydrophobicContact CZ-CE2 4.33Å; F119-Y131 AromaticContact CZ-CG 3.62Å; F119-Y131 HydrophobicContact CZ-CG 3.62Å; F119-A204 HydrophobicContact CB-CB 3.67Å; F119-A204 HydrophobicContact CD2-CB 4.38Å; F119-A204 HydrophobicContact CG-CB 3.99Å | ||
| 120 | D | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 26 Ų | 26 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | trans | -152.3 | 108.9 | 174.1 | -173.9 | -22.4 | 0 | 0 | 0 | 108.6 | F118 T122 V123 N124 T128 M210 K508 | F118-D120 HydrophobicContact CE1-CB 3.71Å; F118-D120 HydrophobicContact CE2-CB 4.35Å; F118-D120 HydrophobicContact CZ-CB 3.49Å; F118-D120 VanDerWaalsContact CZ-CB 3.49Å; D120-T122 PolarHBondContact O-N 2.83Å; D120-T122 PolarHBondContact OD1-N 3.26Å; D120-T122 VanDerWaalsContact OD1-N 3.07Å; D120-T122 PolarHBondContact OD1-OG1 3.43Å; D120-V123 HydrophobicContact CB-CB 4.17Å; D120-V123 HydrophobicContact CB-CG2 4.18Å; D120-V123 PolarHBondContact O-N 3.14Å; D120-N124 PolarHBondContact N-OD1 3.46Å; D120-N124 PolarHBondContact O-N 3.28Å; D120-N124 PolarHBondContact O-OD1 3.25Å; D120-T128 PolarHBondContact N-OG1 3.35Å; D120-M210 VanDerWaalsContact OD1-CE 3.27Å; D120-M210 WeakPolarHBondContact OD1-CE 3.45Å; D120-K508 IonicContact OD2-NZ 2.9Å; D120-K508 PolarHBondContact OD2-NZ 3.09Å | ||
| 121 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21.4 | -176.3 | -163.8 | 61.6 | 0 | 0 | 0 | 113 | F125 T128 K129 S207 L208 V211 W259 | I121-F125 HydrophobicContact CD1-CD2 3.79Å; I121-F125 HydrophobicContact CD1-CE2 4.04Å; I121-F125 HydrophobicContact CG1-CD2 4.15Å; I121-F125 HydrophobicContact CG1-CE2 4.43Å; I121-T128 HydrophobicContact CB-CG2 4.07Å; I121-T128 HydrophobicContact CD1-CG2 3.91Å; I121-K129 HydrophobicContact CD1-CB 4.31Å; I121-S207 WeakPolarHBondContact CB-OG 3.34Å; I121-S207 WeakPolarHBondContact CG2-OG 3.48Å; I121-S207 PolarHBondContact N-OG 3.16Å; I121-L208 HydrophobicContact CB-CD2 4.23Å; I121-L208 HydrophobicContact CG1-CD2 4.02Å; I121-L208 HydrophobicContact CG2-CD2 4.13Å; I121-V211 HydrophobicContact CG2-CG2 3.98Å; I121-W259 HydrophobicContact CD1-CZ3 4.48Å |
| 122 | T | 98.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.1 | 179.3 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | D120 M210 V211 T245 K512 | D120-T122 PolarHBondContact O-N 2.83Å; D120-T122 PolarHBondContact OD1-N 3.26Å; D120-T122 VanDerWaalsContact OD1-N 3.07Å; D120-T122 PolarHBondContact OD1-OG1 3.43Å; T122-M210 HydrophobicContact CG2-CB 3.99Å; T122-M210 HydrophobicContact CG2-CE 3.66Å; T122-M210 HydrophobicContact CG2-SD 4.26Å; T122-M210 WeakPolarHBondContact OG1-CE 3.48Å; T122-V211 HydrophobicContact CG2-CG2 4.08Å; T122-T245 HydrophobicContact CG2-CG2 3.93Å; T122-K512 WeakPolarHBondContact O-CG 3.31Å |
| 123 | V | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -66.3 | -175.4 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | D120 F125 I504 K508 N515 | D120-V123 HydrophobicContact CB-CB 4.17Å; D120-V123 HydrophobicContact CB-CG2 4.18Å; D120-V123 PolarHBondContact O-N 3.14Å; V123-F125 PolarHBondContact O-N 3.15Å; V123-I504 HydrophobicContact CG1-CG1 3.74Å; V123-K508 HydrophobicContact CG1-CB 4.42Å; V123-K508 HydrophobicContact CG2-CB 3.93Å; V123-K508 HydrophobicContact CG2-CD 3.96Å; V123-K508 HydrophobicContact CG2-CG 3.94Å; V123-N515 PolarHBondContact O-ND2 3.21Å |
| 124 | N | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -102.5 | 67.1 | 178.9 | 56 | 5.5 | 0 | 0 | 0 | 109.7 | F118 D120 D126 L127 T128 Q492 S496 | F118-N124 PolarHBondContact O-ND2 3.03Å; D120-N124 PolarHBondContact N-OD1 3.46Å; D120-N124 PolarHBondContact O-N 3.28Å; D120-N124 PolarHBondContact O-OD1 3.25Å; N124-D126 PolarHBondContact O-N 2.8Å; N124-L127 HydrophobicContact CB-CB 4.29Å; N124-L127 PolarHBondContact O-N 3.11Å; N124-T128 WeakPolarHBondContact O-CB 3.41Å; N124-T128 PolarHBondContact O-N 2.88Å; N124-T128 PolarHBondContact O-OG1 3.05Å; N124-T128 VanDerWaalsContact O-OG1 3.04Å; N124-T128 PolarHBondContact OD1-OG1 3.23Å; N124-Q492 VanDerWaalsContact CA-OE1 3.31Å; N124-Q492 HydrophobicContact CB-CB 4.12Å; N124-Q492 HydrophobicContact CB-CG 3.9Å; N124-Q492 PolarHBondContact O-OE1 3.29Å; N124-S496 PolarHBondContact ND2-OG 2.87Å |
| 125 | F | 98.7 | Very high | 98.1 | Very high | 10 Ų | 10 | 18.3 Ų | 18.3 | 4% | 0.044 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.6 | -52.1 | -171.2 | 176 | -93.3 | 0 | 0 | 0 | 112.4 | I121 V123 L127 T128 K129 P247 L251 | I121-F125 HydrophobicContact CD1-CD2 3.79Å; I121-F125 HydrophobicContact CD1-CE2 4.04Å; I121-F125 HydrophobicContact CG1-CD2 4.15Å; I121-F125 HydrophobicContact CG1-CE2 4.43Å; V123-F125 PolarHBondContact O-N 3.15Å; F125-L127 VanDerWaalsContact C-N 3.34Å; F125-L127 PolarHBondContact O-N 3.01Å; F125-T128 PolarHBondContact O-N 2.95Å; F125-K129 HydrophobicContact CE1-CB 4.44Å; F125-K129 HydrophobicContact CE1-CD 3.7Å; F125-K129 HydrophobicContact CZ-CD 3.7Å; F125-K129 WeakPolarHBondContact O-CB 3.28Å; F125-K129 PolarHBondContact O-N 2.93Å; F125-P247 HydrophobicContact CB-CG 4.15Å; F125-P247 HydrophobicContact CD1-CB 3.81Å; F125-P247 HydrophobicContact CD1-CG 3.89Å; F125-P247 HydrophobicContact CD2-CB 3.97Å; F125-P247 HydrophobicContact CD2-CG 3.73Å; F125-P247 HydrophobicContact CE1-CB 3.63Å; F125-P247 HydrophobicContact CE1-CG 4.22Å; F125-P247 HydrophobicContact CE2-CB 3.78Å; F125-P247 HydrophobicContact CE2-CG 4.06Å; F125-P247 HydrophobicContact CG-CB 3.98Å; F125-P247 HydrophobicContact CG-CG 3.63Å; F125-P247 HydrophobicContact CZ-CB 3.62Å; F125-P247 HydrophobicContact CZ-CG 4.3Å; F125-L251 HydrophobicContact CE2-CD2 4.22Å; F125-L251 HydrophobicContact CZ-CD1 4.43Å |
| 126 | D | 98.3 | Very high | 98.3 | Very high | 31 Ų | 31 | 18.5 Ų | 18.5 | 17% | 0.166 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | -176.3 | -57.6 | -73.1 | 0 | 0 | 0 | 111.3 | N124 N130 F489 Q492 | N124-D126 PolarHBondContact O-N 2.8Å; D126-N130 VanDerWaalsContact O-CB 3.24Å; D126-N130 WeakPolarHBondContact O-CB 3.4Å; D126-N130 PolarHBondContact O-N 3.4Å; D126-N130 PolarHBondContact O-ND2 3.31Å; D126-F489 HydrophobicContact CB-CB 4.26Å; D126-F489 HydrophobicContact CB-CD1 4.18Å; D126-F489 HydrophobicContact CB-CD2 3.93Å; D126-F489 HydrophobicContact CB-CE2 4.4Å; D126-F489 HydrophobicContact CB-CG 3.86Å; D126-Q492 PolarHBondContact OD2-NE2 2.84Å |
| 127 | L | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 177.8 | -177.7 | 61.3 | 0 | 0 | 0 | 112.2 | L17 V117 F119 N124 F125 Y131 F489 Q492 | L17-L127 HydrophobicContact CD1-CD1 3.67Å; V117-L127 HydrophobicContact CG1-CD2 3.83Å; F119-L127 HydrophobicContact CD1-CG 4.33Å; F119-L127 HydrophobicContact CE1-CD1 4.35Å; F119-L127 HydrophobicContact CE1-CD2 4.46Å; F119-L127 HydrophobicContact CE1-CG 3.85Å; N124-L127 HydrophobicContact CB-CB 4.29Å; N124-L127 PolarHBondContact O-N 3.11Å; F125-L127 VanDerWaalsContact C-N 3.34Å; F125-L127 PolarHBondContact O-N 3.01Å; L127-Y131 VanDerWaalsContact O-CB 3.29Å; L127-Y131 WeakPolarHBondContact O-CB 3.26Å; L127-Y131 PolarHBondContact O-N 3.42Å; L127-Y131 VanDerWaalsContact O-N 3.08Å; L127-F489 VanDerWaalsContact CA-CE2 3.45Å; L127-F489 HydrophobicContact CB-CD2 4.3Å; L127-F489 HydrophobicContact CB-CE2 3.9Å; L127-F489 HydrophobicContact CD1-CE2 3.87Å; L127-Q492 HydrophobicContact CB-CB 4.16Å; L127-Q492 HydrophobicContact CD2-CB 4.43Å |
| 128 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | F119 D120 I121 N124 F125 Y131 L132 A204 | F119-T128 HydrophobicContact CB-CG2 4.38Å; F119-T128 HydrophobicContact CD1-CG2 4.43Å; D120-T128 PolarHBondContact N-OG1 3.35Å; I121-T128 HydrophobicContact CB-CG2 4.07Å; I121-T128 HydrophobicContact CD1-CG2 3.91Å; N124-T128 WeakPolarHBondContact O-CB 3.41Å; N124-T128 PolarHBondContact O-N 2.88Å; N124-T128 PolarHBondContact O-OG1 3.05Å; N124-T128 VanDerWaalsContact O-OG1 3.04Å; N124-T128 PolarHBondContact OD1-OG1 3.23Å; F125-T128 PolarHBondContact O-N 2.95Å; T128-Y131 PolarHBondContact O-N 3.1Å; T128-L132 HydrophobicContact CG2-CD1 4.14Å; T128-L132 WeakPolarHBondContact O-CG 3.41Å; T128-L132 PolarHBondContact O-N 2.97Å; T128-A204 HydrophobicContact CG2-CB 4.05Å |
| 129 | K | 98.7 | Very high | 98.5 | Very high | 46 Ų | 46 | 9.6 Ų | 9.6 | 20% | 0.2 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.4 | -52.9 | 177.7 | 176 | 177.6 | -176.7 | -57.2 | 0 | 111.3 | I121 F125 Y131 L132 D133 L251 W259 | I121-K129 HydrophobicContact CD1-CB 4.31Å; F125-K129 HydrophobicContact CE1-CB 4.44Å; F125-K129 HydrophobicContact CE1-CD 3.7Å; F125-K129 HydrophobicContact CZ-CD 3.7Å; F125-K129 WeakPolarHBondContact O-CB 3.28Å; F125-K129 PolarHBondContact O-N 2.93Å; K129-Y131 VanDerWaalsContact C-N 3.28Å; K129-Y131 PolarHBondContact O-N 3.32Å; K129-L132 PolarHBondContact O-N 3.18Å; K129-D133 WeakPolarHBondContact CG-OD2 3.46Å; K129-D133 IonicContact NZ-OD2 3.4Å; K129-D133 PolarHBondContact NZ-OD2 3.29Å; K129-D133 WeakPolarHBondContact O-CB 3.41Å; K129-D133 PolarHBondContact O-N 3.07Å; K129-L251 HydrophobicContact CD-CD1 4.46Å; K129-W259 HydrophobicContact CB-CH2 4.31Å; K129-W259 HydrophobicContact CG-CH2 3.85Å; K129-W259 HydrophobicContact CG-CZ2 3.93Å |
| 130 | N | 98.8 | Very high | 98.5 | Very high | 26 Ų | 26 | 9.4 Ų | 9.4 | 14% | 0.139 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.9 | -33.3 | -177 | -83.2 | -92.5 | 0 | 0 | 0 | 112.4 | L17 N21 D126 L134 F489 | L17-N130 HydrophobicContact CB-CB 4.05Å; L17-N130 HydrophobicContact CD1-CB 4.34Å; N21-N130 PolarHBondContact ND2-O 3.46Å; N21-N130 PolarHBondContact ND2-OD1 3.3Å; D126-N130 VanDerWaalsContact O-CB 3.24Å; D126-N130 WeakPolarHBondContact O-CB 3.4Å; D126-N130 PolarHBondContact O-N 3.4Å; D126-N130 PolarHBondContact O-ND2 3.31Å; N130-L134 WeakPolarHBondContact O-CB 3.41Å; N130-L134 PolarHBondContact O-N 3.48Å; N130-F489 HydrophobicContact CB-CE1 4.21Å; N130-F489 HydrophobicContact CB-CZ 3.74Å; N130-F489 WeakPolarHBondContact ND2-CE1 3.16Å |
| 131 | Y | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.8 | -49.3 | 173.6 | 173.4 | -106.5 | 0 | 0 | 0 | 111.8 | L109 I112 F119 L127 T128 K129 L134 V135 S200 L201 A204 | L109-Y131 HydrophobicContact CD2-CD2 4.17Å; L109-Y131 HydrophobicContact CD2-CE2 3.5Å; L109-Y131 VanDerWaalsContact CD2-CE2 3.5Å; I112-Y131 HydrophobicContact CD1-CD2 3.63Å; I112-Y131 HydrophobicContact CD1-CE2 3.95Å; I112-Y131 HydrophobicContact CG2-CD2 4.49Å; I112-Y131 HydrophobicContact CG2-CE2 4.11Å; F119-Y131 HydrophobicContact CD1-CD1 4.46Å; F119-Y131 AromaticContact CE1-CD1 3.99Å; F119-Y131 HydrophobicContact CE1-CD1 3.99Å; F119-Y131 HydrophobicContact CE1-CD2 4.49Å; F119-Y131 AromaticContact CE1-CG 3.8Å; F119-Y131 HydrophobicContact CE1-CG 3.8Å; F119-Y131 HydrophobicContact CE2-CD1 4.16Å; F119-Y131 HydrophobicContact CE2-CE1 4.21Å; F119-Y131 HydrophobicContact CE2-CG 4.34Å; F119-Y131 AromaticContact CZ-CD1 3.83Å; F119-Y131 HydrophobicContact CZ-CD1 3.83Å; F119-Y131 AromaticContact CZ-CD2 3.91Å; F119-Y131 HydrophobicContact CZ-CD2 3.91Å; F119-Y131 HydrophobicContact CZ-CE1 4.29Å; F119-Y131 HydrophobicContact CZ-CE2 4.33Å; F119-Y131 AromaticContact CZ-CG 3.62Å; F119-Y131 HydrophobicContact CZ-CG 3.62Å; L127-Y131 VanDerWaalsContact O-CB 3.29Å; L127-Y131 WeakPolarHBondContact O-CB 3.26Å; L127-Y131 PolarHBondContact O-N 3.42Å; L127-Y131 VanDerWaalsContact O-N 3.08Å; T128-Y131 PolarHBondContact O-N 3.1Å; K129-Y131 VanDerWaalsContact C-N 3.28Å; K129-Y131 PolarHBondContact O-N 3.32Å; Y131-L134 PolarHBondContact O-N 3.07Å; Y131-V135 HydrophobicContact CE2-CG2 4.28Å; Y131-V135 WeakPolarHBondContact O-CG2 3.22Å; Y131-V135 PolarHBondContact O-N 3Å; Y131-V135 VanDerWaalsContact O-N 3.11Å; Y131-S200 PolarHBondContact OH-OG 2.88Å; Y131-L201 HydrophobicContact CE1-CB 4.45Å; Y131-L201 HydrophobicContact CE1-CD1 4.02Å; Y131-L201 PolarHBondContact OH-N 2.87Å; Y131-A204 HydrophobicContact CD1-CB 4.2Å; Y131-A204 HydrophobicContact CE1-CB 4.29Å |
| 132 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 9 Ų | 9 | 2% | 0.016 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 178.4 | -67.3 | 177.6 | 0 | 0 | 0 | 112.4 | T128 K129 L134 V135 V136 L201 A204 L205 L208 W259 | T128-L132 HydrophobicContact CG2-CD1 4.14Å; T128-L132 WeakPolarHBondContact O-CG 3.41Å; T128-L132 PolarHBondContact O-N 2.97Å; K129-L132 PolarHBondContact O-N 3.18Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 3.33Å; L132-V135 PolarHBondContact O-N 2.95Å; L132-V136 PolarHBondContact O-N 3.27Å; L132-L201 HydrophobicContact CD2-CD1 3.82Å; L132-A204 HydrophobicContact CD2-CB 3.93Å; L132-A204 HydrophobicContact CG-CB 4.3Å; L132-L205 HydrophobicContact CD2-CD2 3.75Å; L132-L205 HydrophobicContact CD2-CG 4.11Å; L132-L208 HydrophobicContact CD1-CD1 4.22Å; L132-W259 HydrophobicContact CB-CB 4.45Å; L132-W259 HydrophobicContact CB-CD2 3.92Å; L132-W259 HydrophobicContact CB-CE3 4.42Å; L132-W259 HydrophobicContact CB-CG 3.9Å; L132-W259 HydrophobicContact CD1-CB 4.4Å; L132-W259 HydrophobicContact CD1-CD2 4.02Å; L132-W259 HydrophobicContact CD1-CE3 3.72Å; L132-W259 HydrophobicContact CD1-CG 4.33Å; L132-W259 HydrophobicContact CD1-CZ3 4.24Å |
| 133 | D | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 8.9 Ų | 8.9 | 17% | 0.171 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 174.6 | -78.7 | -24.1 | 0 | 0 | 0 | 111.6 | N21 K129 V136 T137 W259 | N21-D133 VanDerWaalsContact OD1-C 3.31Å; K129-D133 WeakPolarHBondContact CG-OD2 3.46Å; K129-D133 IonicContact NZ-OD2 3.4Å; K129-D133 PolarHBondContact NZ-OD2 3.29Å; K129-D133 WeakPolarHBondContact O-CB 3.41Å; K129-D133 PolarHBondContact O-N 3.07Å; D133-V136 PolarHBondContact O-N 3.15Å; D133-T137 WeakPolarHBondContact O-CB 3.34Å; D133-T137 PolarHBondContact O-N 3.3Å; D133-T137 PolarHBondContact O-OG1 2.91Å; D133-W259 VanDerWaalsContact OD1-CE2 3.28Å; D133-W259 WeakPolarHBondContact OD1-CZ2 3.42Å; D133-W259 PolarHBondContact OD1-NE1 3.44Å |
| 134 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | -179.2 | -173.6 | 62 | 0 | 0 | 0 | 111.1 | L17 L20 N21 F101 V105 L108 N130 Y131 L132 T137 Y138 | L17-L134 HydrophobicContact CD2-CB 4.45Å; L17-L134 HydrophobicContact CD2-CD2 3.84Å; L20-L134 HydrophobicContact CB-CD1 3.78Å; L20-L134 HydrophobicContact CB-CD2 4.25Å; L20-L134 HydrophobicContact CD1-CD2 4.32Å; N21-L134 WeakPolarHBondContact OD1-CA 3.49Å; N21-L134 WeakPolarHBondContact OD1-CB 3.1Å; N21-L134 PolarHBondContact OD1-N 3.36Å; F101-L134 HydrophobicContact CE2-CD1 4.21Å; F101-L134 HydrophobicContact CZ-CD1 3.96Å; V105-L134 HydrophobicContact CG1-CD2 4.36Å; V105-L134 HydrophobicContact CG1-CG 4.25Å; V105-L134 HydrophobicContact CG2-CD1 3.85Å; V105-L134 HydrophobicContact CG2-CD2 4.27Å; V105-L134 HydrophobicContact CG2-CG 4.14Å; L108-L134 HydrophobicContact CD2-CD2 3.85Å; N130-L134 WeakPolarHBondContact O-CB 3.41Å; N130-L134 PolarHBondContact O-N 3.48Å; Y131-L134 PolarHBondContact O-N 3.07Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 3.33Å; L134-T137 PolarHBondContact O-N 2.75Å; L134-Y138 VanDerWaalsContact O-CB 3.28Å; L134-Y138 WeakPolarHBondContact O-CB 3.44Å; L134-Y138 PolarHBondContact O-N 3.42Å |
| 135 | V | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.012 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | L109 Y131 L132 T139 F194 L201 L266 | L109-V135 HydrophobicContact CD2-CG2 3.95Å; Y131-V135 HydrophobicContact CE2-CG2 4.28Å; Y131-V135 WeakPolarHBondContact O-CG2 3.22Å; Y131-V135 PolarHBondContact O-N 3Å; Y131-V135 VanDerWaalsContact O-N 3.11Å; L132-V135 PolarHBondContact O-N 2.95Å; V135-T139 WeakPolarHBondContact O-CB 3.46Å; V135-T139 PolarHBondContact O-N 3.15Å; V135-T139 PolarHBondContact O-OG1 2.81Å; V135-F194 HydrophobicContact CB-CE1 4.49Å; V135-F194 HydrophobicContact CG1-CE1 3.71Å; V135-F194 HydrophobicContact CG1-CZ 4.06Å; V135-F194 HydrophobicContact CG2-CE1 4.04Å; V135-L201 HydrophobicContact CG1-CD1 4.33Å; V135-L201 HydrophobicContact CG1-CD2 4.43Å; V135-L266 HydrophobicContact CG1-CD1 3.54Å |
| 136 | V | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 10.1 Ų | 10.1 | 5% | 0.048 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -70.2 | -39.2 | 177.5 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | L132 D133 Y138 T139 T140 K258 F262 | L132-V136 PolarHBondContact O-N 3.27Å; D133-V136 PolarHBondContact O-N 3.15Å; V136-Y138 VanDerWaalsContact C-N 3.33Å; V136-Y138 PolarHBondContact O-N 3.05Å; V136-T139 PolarHBondContact O-N 2.91Å; V136-T140 HydrophobicContact CG1-CG2 4.05Å; V136-T140 WeakPolarHBondContact O-CB 3.17Å; V136-T140 WeakPolarHBondContact O-CG2 3.41Å; V136-T140 PolarHBondContact O-N 3.26Å; V136-T140 PolarHBondContact O-OG1 3.38Å; V136-K258 HydrophobicContact CG1-CB 4.19Å; V136-F262 HydrophobicContact CG1-CD2 4.31Å; V136-F262 HydrophobicContact CG2-CB 4.37Å |
| 137 | T | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 12.3 Ų | 12.3 | 10% | 0.104 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 175 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | L28 F101 D133 L134 T139 T140 L141 | L28-T137 HydrophobicContact CD1-CG2 3.87Å; L28-T137 HydrophobicContact CG-CG2 4.47Å; F101-T137 HydrophobicContact CZ-CG2 4.41Å; D133-T137 WeakPolarHBondContact O-CB 3.34Å; D133-T137 PolarHBondContact O-N 3.3Å; D133-T137 PolarHBondContact O-OG1 2.91Å; L134-T137 PolarHBondContact O-N 2.75Å; T137-T139 PolarHBondContact O-N 3.06Å; T137-T140 PolarHBondContact O-OG1 3Å; T137-L141 WeakPolarHBondContact O-CB 3.22Å; T137-L141 PolarHBondContact O-N 3.15Å |
| 138 | Y | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 174.9 | 174.2 | -149.3 | 0 | 0 | 0 | 111.4 | K102 V105 L134 V136 T140 L141 M142 Y183 M190 E193 F194 | K102-Y138 HydrophobicContact CB-CE2 4.22Å; K102-Y138 HydrophobicContact CD-CE2 4.49Å; K102-Y138 HydrophobicContact CG-CE2 3.56Å; K102-Y138 WeakPolarHBondContact CG-OH 3.35Å; V105-Y138 HydrophobicContact CG1-CD1 3.77Å; V105-Y138 HydrophobicContact CG1-CE1 4.45Å; V105-Y138 HydrophobicContact CG1-CG 4.06Å; L134-Y138 VanDerWaalsContact O-CB 3.28Å; L134-Y138 WeakPolarHBondContact O-CB 3.44Å; L134-Y138 PolarHBondContact O-N 3.42Å; V136-Y138 VanDerWaalsContact C-N 3.33Å; V136-Y138 PolarHBondContact O-N 3.05Å; Y138-T140 PolarHBondContact O-N 3.4Å; Y138-L141 PolarHBondContact O-N 3.06Å; Y138-M142 HydrophobicContact CD2-CG 3.75Å; Y138-M142 HydrophobicContact CD2-SD 4.39Å; Y138-M142 HydrophobicContact CE2-CG 3.33Å; Y138-M142 HydrophobicContact CE2-SD 3.87Å; Y138-M142 WeakPolarHBondContact O-CG 3.35Å; Y138-M142 PolarHBondContact O-N 3.43Å; Y138-M142 VanDerWaalsContact O-N 3.09Å; Y138-Y183 WeakPolarHBondContact OH-CE1 3.49Å; Y138-Y183 PolarHBondContact OH-OH 3.05Å; Y138-Y183 VanDerWaalsContact OH-OH 3.07Å; Y138-M190 HydrophobicContact CD1-CE 3.55Å; Y138-M190 HydrophobicContact CD2-CE 4.34Å; Y138-M190 HydrophobicContact CE1-CE 3.53Å; Y138-M190 HydrophobicContact CE2-CE 4.25Å; Y138-M190 HydrophobicContact CG-CE 3.97Å; Y138-E193 PolarHBondContact OH-OE1 2.9Å; Y138-E193 PolarHBondContact OH-OE2 3.1Å; Y138-F194 HydrophobicContact CD1-CE2 4.14Å; Y138-F194 HydrophobicContact CD1-CZ 4.07Å; Y138-F194 AromaticContact CE1-CE2 3.9Å; Y138-F194 HydrophobicContact CE1-CE2 3.9Å; Y138-F194 HydrophobicContact CE1-CZ 4.26Å |
| 139 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | -179.1 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | V135 V136 T137 L141 M142 I143 L187 M190 F262 L266 | V135-T139 WeakPolarHBondContact O-CB 3.46Å; V135-T139 PolarHBondContact O-N 3.15Å; V135-T139 PolarHBondContact O-OG1 2.81Å; V136-T139 PolarHBondContact O-N 2.91Å; T137-T139 PolarHBondContact O-N 3.06Å; T139-L141 VanDerWaalsContact C-N 3.34Å; T139-L141 PolarHBondContact O-N 2.99Å; T139-M142 PolarHBondContact O-N 3.13Å; T139-I143 HydrophobicContact CG2-CD1 3.95Å; T139-I143 VanDerWaalsContact O-CG1 3.25Å; T139-I143 WeakPolarHBondContact O-CG1 3.46Å; T139-I143 PolarHBondContact O-N 3.41Å; T139-I143 VanDerWaalsContact O-N 3.07Å; T139-L187 HydrophobicContact CG2-CD2 3.61Å; T139-M190 HydrophobicContact CG2-CE 4.4Å; T139-M190 HydrophobicContact CG2-SD 4.32Å; T139-M190 VanDerWaalsContact OG1-CE 3.27Å; T139-M190 WeakPolarHBondContact OG1-CE 3.22Å; T139-F262 HydrophobicContact CG2-CB 4.35Å; T139-F262 HydrophobicContact CG2-CD1 4.02Å; T139-F262 HydrophobicContact CG2-CG 4.22Å; T139-L266 WeakPolarHBondContact OG1-CD1 3.45Å |
| 140 | T | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.7 | -36.2 | -179.6 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | V136 T137 Y138 I143 I144 F262 L293 | V136-T140 HydrophobicContact CG1-CG2 4.05Å; V136-T140 WeakPolarHBondContact O-CB 3.17Å; V136-T140 WeakPolarHBondContact O-CG2 3.41Å; V136-T140 PolarHBondContact O-N 3.26Å; V136-T140 PolarHBondContact O-OG1 3.38Å; T137-T140 PolarHBondContact O-OG1 3Å; Y138-T140 PolarHBondContact O-N 3.4Å; T140-I143 PolarHBondContact O-N 3.44Å; T140-I144 WeakPolarHBondContact O-CG1 3.37Å; T140-I144 PolarHBondContact O-N 2.88Å; T140-F262 HydrophobicContact CG2-CD2 4.46Å; T140-F262 HydrophobicContact CG2-CE2 3.96Å; T140-F262 HydrophobicContact CG2-CZ 4.45Å; T140-L293 HydrophobicContact CG2-CD2 3.79Å |
| 141 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 175.1 | -178.2 | 63.2 | 0 | 0 | 0 | 111.6 | M27 L28 V31 V98 F101 T137 Y138 T139 I143 I144 L145 | M27-L141 HydrophobicContact CB-CD1 4.08Å; M27-L141 HydrophobicContact CB-CD2 3.94Å; L28-L141 HydrophobicContact CD2-CB 3.87Å; L28-L141 HydrophobicContact CD2-CD1 3.95Å; L28-L141 HydrophobicContact CG-CB 4.34Å; L28-L141 HydrophobicContact CG-CD1 4.2Å; V31-L141 HydrophobicContact CB-CD1 4.16Å; V31-L141 HydrophobicContact CG1-CD1 4.45Å; V31-L141 HydrophobicContact CG2-CD1 3.89Å; V98-L141 HydrophobicContact CG1-CD2 4.01Å; V98-L141 HydrophobicContact CG1-CG 4.18Å; V98-L141 HydrophobicContact CG2-CD1 4.35Å; V98-L141 HydrophobicContact CG2-CD2 4.46Å; F101-L141 HydrophobicContact CD1-CD2 3.5Å; F101-L141 HydrophobicContact CE1-CD2 3.66Å; T137-L141 WeakPolarHBondContact O-CB 3.22Å; T137-L141 PolarHBondContact O-N 3.15Å; Y138-L141 PolarHBondContact O-N 3.06Å; T139-L141 VanDerWaalsContact C-N 3.34Å; T139-L141 PolarHBondContact O-N 2.99Å; L141-I143 VanDerWaalsContact C-N 3.32Å; L141-I143 PolarHBondContact O-N 3.3Å; L141-I144 PolarHBondContact O-N 3.01Å; L141-L145 WeakPolarHBondContact O-CB 3.46Å; L141-L145 PolarHBondContact O-N 3.25Å |
| 142 | M | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.6 | -34.3 | 178.1 | -61.3 | -48.5 | -71.9 | 0 | 0 | 112.3 | V98 Y138 T139 L145 S146 M179 Y183 P186 M190 | V98-M142 HydrophobicContact CG1-SD 4.42Å; Y138-M142 HydrophobicContact CD2-CG 3.75Å; Y138-M142 HydrophobicContact CD2-SD 4.39Å; Y138-M142 HydrophobicContact CE2-CG 3.33Å; Y138-M142 HydrophobicContact CE2-SD 3.87Å; Y138-M142 WeakPolarHBondContact O-CG 3.35Å; Y138-M142 PolarHBondContact O-N 3.43Å; Y138-M142 VanDerWaalsContact O-N 3.09Å; T139-M142 PolarHBondContact O-N 3.13Å; M142-L145 HydrophobicContact CE-CD2 4.01Å; M142-L145 HydrophobicContact SD-CD2 4.34Å; M142-S146 PolarHBondContact O-N 3.42Å; M142-M179 HydrophobicContact CE-CG 4.28Å; M142-M179 HydrophobicContact CE-SD 4.24Å; M142-Y183 HydrophobicContact CE-CD1 3.69Å; M142-Y183 HydrophobicContact CE-CD2 3.83Å; M142-Y183 HydrophobicContact CE-CE1 4.35Å; M142-Y183 HydrophobicContact CE-CE2 4.46Å; M142-Y183 HydrophobicContact CE-CG 3.4Å; M142-Y183 HydrophobicContact CG-CD1 4.39Å; M142-P186 HydrophobicContact CB-CB 3.88Å; M142-M190 HydrophobicContact CB-SD 4.16Å; M142-M190 HydrophobicContact CG-SD 4.24Å |
| 143 | I | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.036 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 174 | -64.5 | 165.9 | 0 | 0 | 0 | 111.4 | T139 T140 L141 S146 R147 P186 L187 F262 L293 F299 | T139-I143 HydrophobicContact CG2-CD1 3.95Å; T139-I143 VanDerWaalsContact O-CG1 3.25Å; T139-I143 WeakPolarHBondContact O-CG1 3.46Å; T139-I143 PolarHBondContact O-N 3.41Å; T139-I143 VanDerWaalsContact O-N 3.07Å; T140-I143 PolarHBondContact O-N 3.44Å; L141-I143 VanDerWaalsContact C-N 3.32Å; L141-I143 PolarHBondContact O-N 3.3Å; I143-S146 PolarHBondContact O-N 2.76Å; I143-S146 PolarHBondContact O-OG 3.34Å; I143-R147 WeakPolarHBondContact O-CG 3.27Å; I143-R147 PolarHBondContact O-N 2.82Å; I143-P186 HydrophobicContact CG1-CB 4.49Å; I143-P186 HydrophobicContact CG1-CG 4.03Å; I143-L187 HydrophobicContact CD1-CD1 4.13Å; I143-L187 HydrophobicContact CD1-CD2 4.05Å; I143-L187 HydrophobicContact CD1-CG 4.01Å; I143-L187 HydrophobicContact CG1-CG 4.28Å; I143-F262 HydrophobicContact CD1-CD1 4.49Å; I143-F262 HydrophobicContact CD1-CE1 3.81Å; I143-F262 HydrophobicContact CD1-CZ 4.26Å; I143-L293 HydrophobicContact CB-CD1 4.42Å; I143-L293 HydrophobicContact CB-CD2 4.28Å; I143-L293 HydrophobicContact CD1-CD2 4.11Å; I143-L293 HydrophobicContact CG2-CD1 3.6Å; I143-L293 HydrophobicContact CG2-CD2 4.02Å; I143-L293 HydrophobicContact CG2-CG 4.5Å; I143-F299 HydrophobicContact CD1-CD2 4.42Å; I143-F299 HydrophobicContact CD1-CE2 4.32Å; I143-F299 HydrophobicContact CG2-CD2 4.34Å |
| 144 | I | 97.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 177.6 | -64.9 | 176.5 | 0 | 0 | 0 | 110 | L28 V31 K35 T140 L141 S146 R147 I148 L293 F294 | L28-I144 HydrophobicContact CD2-CD1 3.79Å; V31-I144 HydrophobicContact CG1-CB 4.38Å; V31-I144 HydrophobicContact CG1-CG2 3.74Å; K35-I144 HydrophobicContact CD-CG2 4.09Å; T140-I144 WeakPolarHBondContact O-CG1 3.37Å; T140-I144 PolarHBondContact O-N 2.88Å; L141-I144 PolarHBondContact O-N 3.01Å; I144-S146 VanDerWaalsContact C-N 3.28Å; I144-S146 PolarHBondContact O-N 2.85Å; I144-R147 WeakPolarHBondContact O-CB 3.38Å; I144-R147 PolarHBondContact O-N 3.32Å; I144-I148 PolarHBondContact O-N 3.13Å; I144-L293 HydrophobicContact CD1-CB 3.93Å; I144-L293 HydrophobicContact CG1-CB 3.96Å; I144-L293 HydrophobicContact CG1-CD1 4Å; I144-F294 HydrophobicContact CD1-CB 3.56Å |
| 145 | L | 97.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56 | -43.4 | 174.5 | 179.1 | 62.8 | 0 | 0 | 0 | 111.3 | F95 V98 L141 M142 R147 I148 R151 M179 I180 | F95-L145 HydrophobicContact CD1-CD1 3.49Å; F95-L145 VanDerWaalsContact CD1-CD1 3.49Å; F95-L145 HydrophobicContact CE1-CD1 3.43Å; F95-L145 VanDerWaalsContact CE1-CD1 3.43Å; V98-L145 HydrophobicContact CG1-CD2 4.15Å; L141-L145 WeakPolarHBondContact O-CB 3.46Å; L141-L145 PolarHBondContact O-N 3.25Å; M142-L145 HydrophobicContact CE-CD2 4.01Å; M142-L145 HydrophobicContact SD-CD2 4.34Å; L145-R147 PolarHBondContact O-N 3.45Å; L145-I148 HydrophobicContact CD1-CD1 4.49Å; L145-I148 PolarHBondContact O-N 2.96Å; L145-I148 VanDerWaalsContact O-N 3.08Å; L145-R151 VanDerWaalsContact O-CD 3.27Å; L145-R151 WeakPolarHBondContact O-CD 3.34Å; L145-M179 HydrophobicContact CD2-CE 3.91Å; L145-I180 HydrophobicContact CD1-CD1 4.24Å; L145-I180 HydrophobicContact CD2-CD1 4.08Å; L145-I180 HydrophobicContact CG-CD1 4.36Å |
| 146 | S | 97 | Very high | 97.5 | Very high | 31 Ų | 31 | 20.1 Ų | 20.1 | 22% | 0.217 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.8 | -19.5 | 179.1 | 84.4 | 0 | 0 | 0 | 0 | 113.4 | M142 I143 I144 R151 | M142-S146 PolarHBondContact O-N 3.42Å; I143-S146 PolarHBondContact O-N 2.76Å; I143-S146 PolarHBondContact O-OG 3.34Å; I144-S146 VanDerWaalsContact C-N 3.28Å; I144-S146 PolarHBondContact O-N 2.85Å; S146-R151 PolarHBondContact O-NH1 3.49Å; S146-R151 PolarHBondContact O-NH2 3.44Å |
| 147 | R | 97.3 | Very high | 97.4 | Very high | 77 Ų | 77 | 19.7 Ų | 19.7 | 29% | 0.291 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.8 | 175.3 | -65.7 | 176 | 178.1 | -160.4 | -1.3 | 114.1 | K35 I143 I144 L145 E149 L293 E297 V298 | K35-R147 HydrophobicContact CD-CB 4.17Å; I143-R147 WeakPolarHBondContact O-CG 3.27Å; I143-R147 PolarHBondContact O-N 2.82Å; I144-R147 WeakPolarHBondContact O-CB 3.38Å; I144-R147 PolarHBondContact O-N 3.32Å; L145-R147 PolarHBondContact O-N 3.45Å; R147-E149 PolarHBondContact O-N 3.44Å; R147-E149 VanDerWaalsContact O-N 3.15Å; R147-L293 VanDerWaalsContact CZ-CD1 3.43Å; R147-E297 IonicContact NH1-OE2 3.07Å; R147-E297 PolarHBondContact NH1-OE2 2.84Å; R147-V298 PolarHBondContact NH1-O 3.34Å; R147-V298 PolarHBondContact NH2-O 3.3Å |
| 148 | I | 97.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.015 | 9% | 0.091 | C | C | . | . | trans | -83.1 | 87 | 171.4 | -57 | 173.9 | 0 | 0 | 0 | 107.5 | V31 I34 K35 F95 I144 L145 E150 R151 | V31-I148 HydrophobicContact CG1-CD1 3.75Å; I34-I148 HydrophobicContact CB-CD1 4.33Å; I34-I148 HydrophobicContact CG2-CD1 4.01Å; I34-I148 HydrophobicContact CG2-CG2 4.43Å; K35-I148 HydrophobicContact CB-CD1 4.25Å; K35-I148 HydrophobicContact CB-CG1 3.82Å; K35-I148 HydrophobicContact CG-CG1 4.16Å; F95-I148 HydrophobicContact CE1-CD1 3.92Å; F95-I148 HydrophobicContact CZ-CD1 4.24Å; F95-I148 HydrophobicContact CZ-CG2 4.35Å; I144-I148 PolarHBondContact O-N 3.13Å; L145-I148 HydrophobicContact CD1-CD1 4.49Å; L145-I148 PolarHBondContact O-N 2.96Å; L145-I148 VanDerWaalsContact O-N 3.08Å; I148-E150 PolarHBondContact O-N 2.84Å; I148-R151 HydrophobicContact CB-CB 4.23Å; I148-R151 HydrophobicContact CG2-CB 4.01Å; I148-R151 WeakPolarHBondContact O-CB 3.38Å; I148-R151 VanDerWaalsContact O-CD 3.29Å; I148-R151 WeakPolarHBondContact O-CD 3.45Å; I148-R151 WeakPolarHBondContact O-CG 3.41Å; I148-R151 PolarHBondContact O-N 3.16Å; I148-R151 VanDerWaalsContact O-N 3.11Å; I148-R151 PolarHBondContact O-NH1 3.46Å | ||
| 149 | E | 94.5 | Very high | 97.4 | Very high | 167 Ų | 167 | 19.7 Ų | 19.7 | 78% | 0.78 | 9% | 0.091 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -36.4 | -174.4 | -62.9 | -178.9 | 176.6 | 0 | 0 | 112.4 | R147 R151 | R147-E149 PolarHBondContact O-N 3.44Å; R147-E149 VanDerWaalsContact O-N 3.15Å; E149-R151 VanDerWaalsContact C-N 3.31Å; E149-R151 PolarHBondContact O-N 2.68Å |
| 150 | E | 95.4 | Very high | 97.3 | Very high | 51 Ų | 51 | 19.7 Ų | 19.7 | 24% | 0.238 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 2 | -176.4 | -58 | -66.1 | 178 | 0 | 0 | 114.6 | K44 L48 I148 K152 A153 I154 | K44-E150 VanDerWaalsContact NZ-CD 3.34Å; K44-E150 IonicContact NZ-OE1 3.65Å; K44-E150 PolarHBondContact NZ-OE1 3.12Å; L48-E150 HydrophobicContact CD1-CB 3.86Å; L48-E150 HydrophobicContact CD1-CG 4.13Å; I148-E150 PolarHBondContact O-N 2.84Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 2.96Å; E150-A153 WeakPolarHBondContact O-CA 3.37Å; E150-A153 WeakPolarHBondContact O-CB 3.35Å; E150-A153 PolarHBondContact O-N 3.48Å; E150-I154 HydrophobicContact CB-CD1 4.19Å; E150-I154 WeakPolarHBondContact O-CG1 3.24Å; E150-I154 PolarHBondContact O-N 3.29Å |
| 151 | R | 97.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 19.6 Ų | 19.6 | 7% | 0.072 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56 | -40.2 | -176 | 67.5 | -165.9 | 175.3 | -90.7 | 6.4 | 112.9 | F95 L145 S146 I148 E149 A153 I154 I155 I180 | F95-R151 HydrophobicContact CE1-CB 4.46Å; F95-R151 HydrophobicContact CE2-CB 4.47Å; F95-R151 HydrophobicContact CZ-CB 4.05Å; L145-R151 VanDerWaalsContact O-CD 3.27Å; L145-R151 WeakPolarHBondContact O-CD 3.34Å; S146-R151 PolarHBondContact O-NH1 3.49Å; S146-R151 PolarHBondContact O-NH2 3.44Å; I148-R151 HydrophobicContact CB-CB 4.23Å; I148-R151 HydrophobicContact CG2-CB 4.01Å; I148-R151 WeakPolarHBondContact O-CB 3.38Å; I148-R151 VanDerWaalsContact O-CD 3.29Å; I148-R151 WeakPolarHBondContact O-CD 3.45Å; I148-R151 WeakPolarHBondContact O-CG 3.41Å; I148-R151 PolarHBondContact O-N 3.16Å; I148-R151 VanDerWaalsContact O-N 3.11Å; I148-R151 PolarHBondContact O-NH1 3.46Å; E149-R151 VanDerWaalsContact C-N 3.31Å; E149-R151 PolarHBondContact O-N 2.68Å; R151-A153 VanDerWaalsContact C-N 3.35Å; R151-A153 PolarHBondContact O-N 3.29Å; R151-I154 PolarHBondContact O-N 3.36Å; R151-I155 WeakPolarHBondContact O-CB 3.17Å; R151-I155 WeakPolarHBondContact O-CD1 3.36Å; R151-I155 WeakPolarHBondContact O-CG1 3.26Å; R151-I155 PolarHBondContact O-N 2.86Å; R151-I180 HydrophobicContact CG-CD1 4.35Å; R151-I180 HydrophobicContact CG-CG2 4.19Å |
| 152 | K | 97.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 21.3 Ų | 21.3 | 14% | 0.143 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 176.9 | -69.4 | -178.8 | 174.6 | 174.9 | 0 | 111.3 | V61 F64 E150 G156 I180 E184 | V61-K152 HydrophobicContact CG1-CB 4.44Å; V61-K152 HydrophobicContact CG2-CB 4.47Å; F64-K152 HydrophobicContact CB-CB 4.48Å; F64-K152 HydrophobicContact CD1-CB 4.31Å; F64-K152 HydrophobicContact CD1-CD 4.03Å; F64-K152 HydrophobicContact CD1-CG 3.81Å; F64-K152 HydrophobicContact CD2-CB 4.09Å; F64-K152 HydrophobicContact CD2-CG 4.46Å; F64-K152 WeakPolarHBondContact CD2-O 3.08Å; F64-K152 HydrophobicContact CE1-CG 4.01Å; F64-K152 HydrophobicContact CE2-CB 4.41Å; F64-K152 HydrophobicContact CG-CB 4.04Å; F64-K152 HydrophobicContact CG-CD 4.34Å; F64-K152 HydrophobicContact CG-CG 4.05Å; F64-K152 HydrophobicContact CZ-CG 4.4Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 2.96Å; K152-G156 PolarHBondContact O-N 2.88Å; K152-I180 HydrophobicContact CG-CG2 3.87Å; K152-E184 IonicContact NZ-OE1 2.63Å; K152-E184 PolarHBondContact NZ-OE1 3.29Å; K152-E184 IonicContact NZ-OE2 2.7Å; K152-E184 PolarHBondContact NZ-OE2 2.94Å |
| 153 | A | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.6 | -47 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L48 V57 V61 E150 R151 G156 L157 | L48-A153 HydrophobicContact CD2-CB 3.63Å; V57-A153 HydrophobicContact CG1-CB 3.76Å; V61-A153 HydrophobicContact CG2-CB 3.67Å; E150-A153 WeakPolarHBondContact O-CA 3.37Å; E150-A153 WeakPolarHBondContact O-CB 3.35Å; E150-A153 PolarHBondContact O-N 3.48Å; R151-A153 VanDerWaalsContact C-N 3.35Å; R151-A153 PolarHBondContact O-N 3.29Å; A153-G156 PolarHBondContact O-N 2.89Å; A153-L157 VanDerWaalsContact O-CB 3.24Å; A153-L157 WeakPolarHBondContact O-CB 3.28Å; A153-L157 WeakPolarHBondContact O-CG 3.31Å; A153-L157 PolarHBondContact O-N 3.06Å |
| 154 | I | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.1 | -52 | -179.6 | -65.5 | 161.8 | 0 | 0 | 0 | 110.9 | L48 L88 Y91 F95 E150 R151 G156 L157 Y158 | L48-I154 HydrophobicContact CD1-CD1 4.33Å; L48-I154 HydrophobicContact CD1-CG1 3.93Å; L88-I154 HydrophobicContact CD2-CG2 4.4Å; Y91-I154 HydrophobicContact CD2-CD1 4.16Å; Y91-I154 HydrophobicContact CD2-CG2 4.44Å; F95-I154 HydrophobicContact CE2-CB 4.48Å; F95-I154 HydrophobicContact CE2-CG2 4.15Å; E150-I154 HydrophobicContact CB-CD1 4.19Å; E150-I154 WeakPolarHBondContact O-CG1 3.24Å; E150-I154 PolarHBondContact O-N 3.29Å; R151-I154 PolarHBondContact O-N 3.36Å; I154-G156 VanDerWaalsContact C-N 3.34Å; I154-G156 PolarHBondContact O-N 3.42Å; I154-L157 PolarHBondContact O-N 3.09Å; I154-Y158 PolarHBondContact O-N 3.39Å; I154-Y158 VanDerWaalsContact O-N 3.11Å |
| 155 | I | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | -178.5 | -64.4 | 167.6 | 0 | 0 | 0 | 110.4 | F64 Y92 F95 R151 N159 Y173 L176 I180 | F64-I155 HydrophobicContact CE2-CB 4.05Å; F64-I155 HydrophobicContact CE2-CG2 3.89Å; F64-I155 HydrophobicContact CZ-CB 4.42Å; F64-I155 HydrophobicContact CZ-CG2 4.12Å; Y92-I155 HydrophobicContact CD2-CB 4.46Å; Y92-I155 HydrophobicContact CD2-CG1 4.49Å; Y92-I155 HydrophobicContact CD2-CG2 4.18Å; Y92-I155 HydrophobicContact CE2-CG2 3.87Å; F95-I155 HydrophobicContact CB-CD1 4.17Å; F95-I155 HydrophobicContact CD2-CD1 3.75Å; F95-I155 HydrophobicContact CD2-CG1 3.6Å; F95-I155 HydrophobicContact CE2-CD1 4.34Å; F95-I155 HydrophobicContact CE2-CG1 4.13Å; F95-I155 HydrophobicContact CG-CD1 4.04Å; F95-I155 HydrophobicContact CG-CG1 4.33Å; R151-I155 WeakPolarHBondContact O-CB 3.17Å; R151-I155 WeakPolarHBondContact O-CD1 3.36Å; R151-I155 WeakPolarHBondContact O-CG1 3.26Å; R151-I155 PolarHBondContact O-N 2.86Å; I155-N159 WeakPolarHBondContact O-CB 3.27Å; I155-N159 PolarHBondContact O-N 2.7Å; I155-N159 VanDerWaalsContact O-N 3.09Å; I155-Y173 HydrophobicContact CG2-CD2 3.88Å; I155-Y173 HydrophobicContact CG2-CE2 3.86Å; I155-L176 HydrophobicContact CD1-CD1 4.41Å; I155-L176 HydrophobicContact CD1-CD2 4.16Å; I155-L176 HydrophobicContact CD1-CG 4.19Å; I155-L176 HydrophobicContact CG1-CD2 4.25Å; I155-L176 HydrophobicContact CG2-CD2 3.84Å; I155-L176 HydrophobicContact CG2-CG 4.22Å; I155-I180 HydrophobicContact CD1-CD1 3.78Å; I155-I180 HydrophobicContact CD1-CG1 3.69Å |
| 156 | G | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | K152 A153 I154 Y158 N159 Y160 | K152-G156 PolarHBondContact O-N 2.88Å; A153-G156 PolarHBondContact O-N 2.89Å; I154-G156 VanDerWaalsContact C-N 3.34Å; I154-G156 PolarHBondContact O-N 3.42Å; G156-Y158 VanDerWaalsContact C-N 3.34Å; G156-Y158 PolarHBondContact O-N 2.97Å; G156-N159 PolarHBondContact O-N 3.04Å; G156-Y160 WeakPolarHBondContact O-CB 3.31Å; G156-Y160 WeakPolarHBondContact O-CD2 3.38Å; G156-Y160 PolarHBondContact O-N 3.07Å |
| 157 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 177.9 | -79.8 | 171.7 | 0 | 0 | 0 | 111.8 | L48 V57 I60 L77 I84 L88 A153 I154 A161 | L48-L157 HydrophobicContact CD2-CD1 3.82Å; V57-L157 HydrophobicContact CG2-CD1 4Å; V57-L157 HydrophobicContact CG2-CD2 4.04Å; V57-L157 HydrophobicContact CG2-CG 4.31Å; I60-L157 HydrophobicContact CD1-CD2 3.75Å; I60-L157 HydrophobicContact CD1-CG 4.34Å; L77-L157 HydrophobicContact CD1-CD2 3.53Å; I84-L157 HydrophobicContact CG2-CB 4.15Å; L88-L157 HydrophobicContact CD1-CB 3.68Å; L88-L157 HydrophobicContact CD1-CD1 4.1Å; A153-L157 VanDerWaalsContact O-CB 3.24Å; A153-L157 WeakPolarHBondContact O-CB 3.28Å; A153-L157 WeakPolarHBondContact O-CG 3.31Å; A153-L157 PolarHBondContact O-N 3.06Å; I154-L157 PolarHBondContact O-N 3.09Å; L157-A161 WeakPolarHBondContact O-CB 3.45Å; L157-A161 PolarHBondContact O-N 3.33Å |
| 158 | Y | 98.2 | Very high | 96.1 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 177.3 | -178.8 | -90.6 | 0 | 0 | 0 | 111.3 | L85 L88 A89 Y92 F93 I154 G156 Y160 A161 H162 D170 | L85-Y158 HydrophobicContact CD2-CD2 3.94Å; L85-Y158 HydrophobicContact CD2-CE1 4.34Å; L85-Y158 HydrophobicContact CD2-CE2 3.65Å; L85-Y158 HydrophobicContact CD2-CG 4.4Å; L85-Y158 WeakPolarHBondContact O-CE2 3.42Å; L88-Y158 HydrophobicContact CB-CD2 4.23Å; A89-Y158 HydrophobicContact CB-CE2 3.92Å; Y92-Y158 AromaticContact CD1-CD1 3.59Å; Y92-Y158 HydrophobicContact CD1-CD1 3.59Å; Y92-Y158 AromaticContact CD1-CE1 3.42Å; Y92-Y158 HydrophobicContact CD1-CE1 3.42Å; Y92-Y158 VanDerWaalsContact CD1-CE1 3.42Å; Y92-Y158 HydrophobicContact CD1-CG 4.32Å; Y92-Y158 AromaticContact CD2-CD1 3.36Å; Y92-Y158 HydrophobicContact CD2-CD1 3.36Å; Y92-Y158 HydrophobicContact CD2-CE1 4.11Å; Y92-Y158 AromaticContact CD2-CG 3.79Å; Y92-Y158 HydrophobicContact CD2-CG 3.79Å; Y92-Y158 AromaticContact CE1-CD1 3.85Å; Y92-Y158 HydrophobicContact CE1-CD1 3.85Å; Y92-Y158 AromaticContact CE1-CE1 3.61Å; Y92-Y158 HydrophobicContact CE1-CE1 3.61Å; Y92-Y158 AromaticContact CE2-CD1 3.63Å; Y92-Y158 HydrophobicContact CE2-CD1 3.63Å; Y92-Y158 HydrophobicContact CE2-CE1 4.25Å; Y92-Y158 HydrophobicContact CE2-CG 4.45Å; Y92-Y158 AromaticContact CG-CD1 3.34Å; Y92-Y158 HydrophobicContact CG-CD1 3.34Å; Y92-Y158 HydrophobicContact CG-CD2 4.36Å; Y92-Y158 AromaticContact CG-CE1 3.7Å; Y92-Y158 HydrophobicContact CG-CE1 3.7Å; Y92-Y158 AromaticContact CG-CG 3.72Å; Y92-Y158 HydrophobicContact CG-CG 3.72Å; Y92-Y158 AromaticContact CZ-CD1 3.88Å; F93-Y158 VanDerWaalsContact CE2-OH 3.3Å; F93-Y158 WeakPolarHBondContact CE2-OH 3.13Å; F93-Y158 WeakPolarHBondContact CZ-OH 3.26Å; I154-Y158 PolarHBondContact O-N 3.39Å; I154-Y158 VanDerWaalsContact O-N 3.11Å; G156-Y158 VanDerWaalsContact C-N 3.34Å; G156-Y158 PolarHBondContact O-N 2.97Å; Y158-Y160 PolarHBondContact O-N 3.4Å; Y158-A161 PolarHBondContact O-N 3.11Å; Y158-H162 WeakPolarHBondContact O-CB 3.48Å; Y158-H162 PolarHBondContact O-N 3.41Å; Y158-D170 HydrophobicContact CE1-CB 4.48Å |
| 159 | N | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -40.5 | -178.3 | -175.4 | 65.8 | 0 | 0 | 0 | 113.3 | V67 I155 G156 A161 H162 E163 S169 D170 Y173 | V67-N159 WeakPolarHBondContact CG2-ND2 3.24Å; I155-N159 WeakPolarHBondContact O-CB 3.27Å; I155-N159 PolarHBondContact O-N 2.7Å; I155-N159 VanDerWaalsContact O-N 3.09Å; G156-N159 PolarHBondContact O-N 3.04Å; N159-A161 VanDerWaalsContact C-N 3.33Å; N159-A161 PolarHBondContact O-N 3.17Å; N159-H162 WeakPolarHBondContact O-CB 3.48Å; N159-H162 PolarHBondContact O-N 3.5Å; N159-E163 PolarHBondContact O-N 2.82Å; N159-S169 PolarHBondContact ND2-OG 3.38Å; N159-S169 WeakPolarHBondContact OD1-CA 3.35Å; N159-S169 VanDerWaalsContact OD1-CB 3.29Å; N159-S169 WeakPolarHBondContact OD1-CB 3.21Å; N159-D170 PolarHBondContact OD1-N 3.33Å; N159-Y173 HydrophobicContact CB-CD1 4.48Å; N159-Y173 HydrophobicContact CB-CD2 3.26Å; N159-Y173 HydrophobicContact CB-CE2 3.49Å; N159-Y173 VanDerWaalsContact CB-CE2 3.49Å; N159-Y173 HydrophobicContact CB-CG 3.79Å; N159-Y173 WeakPolarHBondContact ND2-CD1 3.16Å; N159-Y173 WeakPolarHBondContact OD1-CB 3.27Å |
| 160 | Y | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.8 | -90.5 | -107.6 | 0 | 0 | 0 | 111.3 | F59 I60 V67 E68 T69 L74 G156 Y158 H162 E163 M164 | F59-Y160 HydrophobicContact CE1-CE1 4.28Å; I60-Y160 HydrophobicContact CB-CE2 4.44Å; I60-Y160 HydrophobicContact CD1-CD1 4.31Å; I60-Y160 HydrophobicContact CD1-CD2 4.21Å; I60-Y160 HydrophobicContact CD1-CG 4Å; I60-Y160 HydrophobicContact CG1-CD1 4.17Å; I60-Y160 HydrophobicContact CG1-CD2 4Å; I60-Y160 HydrophobicContact CG1-CE1 4.12Å; I60-Y160 HydrophobicContact CG1-CE2 3.96Å; I60-Y160 HydrophobicContact CG1-CG 4.09Å; I60-Y160 HydrophobicContact CG2-CD2 4.13Å; I60-Y160 HydrophobicContact CG2-CE2 4.04Å; V67-Y160 HydrophobicContact CB-CE2 4.43Å; V67-Y160 HydrophobicContact CG1-CD2 4.22Å; V67-Y160 HydrophobicContact CG1-CE1 4.43Å; V67-Y160 HydrophobicContact CG1-CE2 3.91Å; V67-Y160 HydrophobicContact CG2-CE2 4.48Å; E68-Y160 PolarHBondContact N-OH 3.23Å; E68-Y160 VanDerWaalsContact O-CE1 3.26Å; E68-Y160 WeakPolarHBondContact O-CE1 3.37Å; T69-Y160 HydrophobicContact CG2-CD1 4.35Å; L74-Y160 HydrophobicContact CD1-CD1 3.99Å; L74-Y160 HydrophobicContact CD1-CE1 3.92Å; L74-Y160 HydrophobicContact CD2-CD1 4.28Å; L74-Y160 HydrophobicContact CD2-CE1 4.45Å; G156-Y160 WeakPolarHBondContact O-CB 3.31Å; G156-Y160 WeakPolarHBondContact O-CD2 3.38Å; G156-Y160 PolarHBondContact O-N 3.07Å; Y158-Y160 PolarHBondContact O-N 3.4Å; Y160-H162 VanDerWaalsContact C-N 3.34Å; Y160-E163 PolarHBondContact O-N 3.04Å; Y160-M164 HydrophobicContact CD1-CE 4.34Å; Y160-M164 WeakPolarHBondContact O-CB 3.14Å; Y160-M164 WeakPolarHBondContact O-CG 3.48Å; Y160-M164 PolarHBondContact O-N 3.03Å |
| 161 | A | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.6 | -36.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L77 K81 I84 L85 L157 Y158 N159 T165 | L77-A161 HydrophobicContact CD2-CB 4.47Å; K81-A161 HydrophobicContact CB-CB 4.04Å; I84-A161 HydrophobicContact CB-CB 4.05Å; I84-A161 HydrophobicContact CG2-CB 3.79Å; L85-A161 HydrophobicContact CD2-CB 4.29Å; L85-A161 HydrophobicContact CG-CB 3.96Å; L157-A161 WeakPolarHBondContact O-CB 3.45Å; L157-A161 PolarHBondContact O-N 3.33Å; Y158-A161 PolarHBondContact O-N 3.11Å; N159-A161 VanDerWaalsContact C-N 3.33Å; N159-A161 PolarHBondContact O-N 3.17Å; A161-T165 WeakPolarHBondContact O-CB 3.38Å; A161-T165 PolarHBondContact O-N 3.11Å; A161-T165 PolarHBondContact O-OG1 2.96Å |
| 162 | H | 96.8 | Very high | 96.2 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -51.1 | 174.7 | -170.7 | -83 | 0 | 0 | 0 | 111.4 | L85 Y158 N159 Y160 M164 T165 H166 A168 D170 | L85-H162 HydrophobicContact CD2-CB 3.82Å; Y158-H162 WeakPolarHBondContact O-CB 3.48Å; Y158-H162 PolarHBondContact O-N 3.41Å; N159-H162 WeakPolarHBondContact O-CB 3.48Å; N159-H162 PolarHBondContact O-N 3.5Å; Y160-H162 VanDerWaalsContact C-N 3.34Å; H162-M164 VanDerWaalsContact C-N 3.35Å; H162-M164 PolarHBondContact O-N 2.83Å; H162-T165 PolarHBondContact O-N 3.3Å; H162-H166 AromaticContact CD2-CD2 3.59Å; H162-H166 AromaticContact CE1-CD2 3.78Å; H162-H166 AromaticContact CG-CD2 3.91Å; H162-H166 AromaticContact NE2-CD2 3.49Å; H162-H166 PolarHBondContact NE2-CD2 3.15Å; H162-H166 PolarHBondContact O-N 3.43Å; H162-A168 PolarHBondContact ND1-O 2.72Å; H162-D170 PolarHBondContact ND1-N 3.23Å |
| 163 | E | 95.2 | Very high | 96.2 | Very high | 42 Ų | 42 | 34.2 Ų | 34.2 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 179.4 | -172.4 | 171.4 | 133 | 0 | 0 | 112.4 | V67 T69 N159 Y160 T165 G167 A168 S169 | V67-E163 WeakPolarHBondContact CG1-OE2 3.5Å; T69-E163 HydrophobicContact CG2-CB 4.26Å; T69-E163 HydrophobicContact CG2-CG 3.99Å; T69-E163 WeakPolarHBondContact CG2-OE1 3.31Å; T69-E163 PolarHBondContact OG1-OE1 3.24Å; N159-E163 PolarHBondContact O-N 2.82Å; Y160-E163 PolarHBondContact O-N 3.04Å; E163-T165 PolarHBondContact O-N 3.22Å; E163-G167 VanDerWaalsContact O-CA 3.23Å; E163-G167 WeakPolarHBondContact O-CA 3.45Å; E163-G167 PolarHBondContact O-N 3.11Å; E163-A168 VanDerWaalsContact CA-O 3.26Å; E163-A168 WeakPolarHBondContact CA-O 3.31Å; E163-S169 PolarHBondContact OE2-N 3.4Å; E163-S169 PolarHBondContact OE2-OG 3.12Å |
| 164 | M | 93.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 15% | 0.153 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.3 | -14.3 | 175 | -71.8 | 173.5 | -179 | 0 | 0 | 114.4 | T69 L74 L77 Q78 K81 Y160 H162 | T69-M164 HydrophobicContact CG2-CE 4.35Å; T69-M164 HydrophobicContact CG2-CG 4.4Å; L74-M164 HydrophobicContact CB-CE 3.89Å; L74-M164 HydrophobicContact CD1-CE 3.66Å; L74-M164 HydrophobicContact CG-CE 4.26Å; L77-M164 HydrophobicContact CD2-CE 4.26Å; L77-M164 HydrophobicContact CD2-SD 3.57Å; L77-M164 VanDerWaalsContact CD2-SD 3.57Å; Q78-M164 PolarHBondContact OE1-SD 3.31Å; K81-M164 HydrophobicContact CD-CB 4.03Å; K81-M164 PolarHBondContact NZ-O 3.4Å; Y160-M164 HydrophobicContact CD1-CE 4.34Å; Y160-M164 WeakPolarHBondContact O-CB 3.14Å; Y160-M164 WeakPolarHBondContact O-CG 3.48Å; Y160-M164 PolarHBondContact O-N 3.03Å; H162-M164 VanDerWaalsContact C-N 3.35Å; H162-M164 PolarHBondContact O-N 2.83Å |
| 165 | T | 94.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 37% | 0.368 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -103.4 | -43.4 | -178.8 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | L85 A161 H162 E163 | L85-T165 HydrophobicContact CD1-CG2 4.17Å; A161-T165 WeakPolarHBondContact O-CB 3.38Å; A161-T165 PolarHBondContact O-N 3.11Å; A161-T165 PolarHBondContact O-OG1 2.96Å; H162-T165 PolarHBondContact O-N 3.3Å; E163-T165 PolarHBondContact O-N 3.22Å |
| 166 | H | 94.8 | Very high | 96.2 | Very high | 123 Ų | 123 | 44.3 Ų | 44.3 | 57% | 0.569 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -109.3 | -5.4 | -172.2 | -58.9 | -66.4 | 0 | 0 | 0 | 114 | H162 A168 | H162-H166 AromaticContact CD2-CD2 3.59Å; H162-H166 AromaticContact CE1-CD2 3.78Å; H162-H166 AromaticContact CG-CD2 3.91Å; H162-H166 AromaticContact NE2-CD2 3.49Å; H162-H166 PolarHBondContact NE2-CD2 3.15Å; H162-H166 PolarHBondContact O-N 3.43Å; H166-A168 VanDerWaalsContact C-N 3.3Å; H166-A168 PolarHBondContact O-N 3.24Å |
| 167 | G | 91.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 69% | 0.691 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 82.3 | 0.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E163 | E163-G167 VanDerWaalsContact O-CA 3.23Å; E163-G167 WeakPolarHBondContact O-CA 3.45Å; E163-G167 PolarHBondContact O-N 3.11Å |
| 168 | A | 94.1 | Very high | 96.1 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 46% | 0.463 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -147.1 | 151.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | H162 E163 H166 | H162-A168 PolarHBondContact ND1-O 2.72Å; E163-A168 VanDerWaalsContact CA-O 3.26Å; E163-A168 WeakPolarHBondContact CA-O 3.31Å; H166-A168 VanDerWaalsContact C-N 3.3Å; H166-A168 PolarHBondContact O-N 3.24Å |
| 169 | S | 95.6 | Very high | 96.1 | Very high | 37 Ų | 37 | 48.3 Ų | 48.3 | 26% | 0.259 | 26% | 0.255 | S | S | . | . | trans | -55.4 | 154.1 | 169 | -76.2 | 0 | 0 | 0 | 0 | 111.3 | N159 E163 | N159-S169 PolarHBondContact ND2-OG 3.38Å; N159-S169 WeakPolarHBondContact OD1-CA 3.35Å; N159-S169 VanDerWaalsContact OD1-CB 3.29Å; N159-S169 WeakPolarHBondContact OD1-CB 3.21Å; E163-S169 PolarHBondContact OE2-N 3.4Å; E163-S169 PolarHBondContact OE2-OG 3.12Å | ||
| 170 | D | 97.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | trans | -59.8 | 147.5 | 175 | 175.9 | -93.4 | 0 | 0 | 0 | 111.1 | Y92 Y158 N159 H162 E172 Y173 | Y92-D170 HydrophobicContact CE1-CB 4.49Å; Y92-D170 WeakPolarHBondContact CE1-OD1 3.41Å; Y92-D170 WeakPolarHBondContact OH-CB 3.35Å; Y92-D170 VanDerWaalsContact OH-CG 3.27Å; Y92-D170 PolarHBondContact OH-OD1 2.94Å; Y158-D170 HydrophobicContact CE1-CB 4.48Å; N159-D170 PolarHBondContact OD1-N 3.33Å; H162-D170 PolarHBondContact ND1-N 3.23Å; D170-E172 VanDerWaalsContact C-N 3.27Å; D170-E172 PolarHBondContact O-N 3.48Å; D170-E172 PolarHBondContact OD1-N 3.35Å; D170-Y173 WeakPolarHBondContact O-CB 3.47Å; D170-Y173 PolarHBondContact O-N 3.28Å | ||
| 171 | R | 96.4 | Very high | 96.1 | Very high | 205 Ų | 205 | 50.7 Ų | 50.7 | 77% | 0.774 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -39.1 | -173.5 | -171.9 | -177.6 | 71.5 | -160.4 | -1.2 | 112.6 | ||
| 172 | E | 97.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -14.6 | -174.8 | -56.1 | -53.7 | 149.5 | 0 | 0 | 112.8 | V96 M99 D170 R175 L176 | V96-E172 HydrophobicContact CG1-CB 4.17Å; V96-E172 HydrophobicContact CG1-CG 3.91Å; V96-E172 HydrophobicContact CG2-CB 4.01Å; V96-E172 HydrophobicContact CG2-CG 4.46Å; M99-E172 HydrophobicContact CE-CB 4.3Å; D170-E172 VanDerWaalsContact C-N 3.27Å; D170-E172 PolarHBondContact O-N 3.48Å; D170-E172 PolarHBondContact OD1-N 3.35Å; E172-R175 PolarHBondContact O-N 3.5Å; E172-R175 IonicContact OE2-NH1 3.52Å; E172-L176 WeakPolarHBondContact O-CB 3.15Å; E172-L176 PolarHBondContact O-N 2.92Å |
| 173 | Y | 97.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.5 | -44.4 | -174.9 | 177.8 | -94.2 | 0 | 0 | 0 | 114.3 | F64 P65 V67 Y92 I155 N159 D170 R175 L176 G177 | F64-Y173 HydrophobicContact CE2-CE2 4.14Å; P65-Y173 WeakPolarHBondContact O-CE1 3.18Å; P65-Y173 PolarHBondContact O-OH 2.75Å; V67-Y173 HydrophobicContact CG2-CD1 4.07Å; V67-Y173 HydrophobicContact CG2-CE1 3.25Å; Y92-Y173 WeakPolarHBondContact OH-CA 3.39Å; Y92-Y173 WeakPolarHBondContact OH-CB 3.4Å; Y92-Y173 PolarHBondContact OH-N 3.05Å; I155-Y173 HydrophobicContact CG2-CD2 3.88Å; I155-Y173 HydrophobicContact CG2-CE2 3.86Å; N159-Y173 HydrophobicContact CB-CD1 4.48Å; N159-Y173 HydrophobicContact CB-CD2 3.26Å; N159-Y173 HydrophobicContact CB-CE2 3.49Å; N159-Y173 VanDerWaalsContact CB-CE2 3.49Å; N159-Y173 HydrophobicContact CB-CG 3.79Å; N159-Y173 WeakPolarHBondContact ND2-CD1 3.16Å; N159-Y173 WeakPolarHBondContact OD1-CB 3.27Å; D170-Y173 WeakPolarHBondContact O-CB 3.47Å; D170-Y173 PolarHBondContact O-N 3.28Å; Y173-R175 VanDerWaalsContact C-N 3.32Å; Y173-R175 PolarHBondContact O-N 3.15Å; Y173-L176 PolarHBondContact O-N 3.01Å; Y173-G177 PolarHBondContact O-N 3.21Å |
| 174 | P | 96.6 | Very high | 96.1 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | -178.5 | -25.2 | 35.5 | 0 | 0 | 0 | 113 | Q178 | P174-Q178 WeakPolarHBondContact O-CB 3.42Å; P174-Q178 PolarHBondContact O-N 2.81Å |
| 175 | R | 97.4 | Very high | 96.2 | Very high | 127 Ų | 127 | 58.3 Ų | 58.3 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.5 | -42.1 | 178.9 | -64.8 | 177.1 | 67.2 | -139.9 | -1.9 | 111 | M99 D103 E172 Y173 Q178 M179 | M99-R175 HydrophobicContact CE-CB 4.08Å; M99-R175 HydrophobicContact SD-CB 3.59Å; M99-R175 VanDerWaalsContact SD-CB 3.59Å; D103-R175 IonicContact OD1-NH2 2.78Å; D103-R175 IonicContact OD2-CZ 2.63Å; D103-R175 IonicContact OD2-NH1 3.91Å; D103-R175 IonicContact OD2-NH2 3.98Å; D103-R175 PolarHBondContact OD2-NH2 3.46Å; E172-R175 PolarHBondContact O-N 3.5Å; E172-R175 IonicContact OE2-NH1 3.52Å; Y173-R175 VanDerWaalsContact C-N 3.32Å; Y173-R175 PolarHBondContact O-N 3.15Å; R175-Q178 PolarHBondContact O-N 3.33Å; R175-M179 PolarHBondContact O-N 2.97Å |
| 176 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 179.5 | 176.7 | 59.3 | 0 | 0 | 0 | 111.5 | Y92 F95 V96 M99 I155 E172 Y173 Q178 M179 I180 | Y92-L176 HydrophobicContact CD2-CD2 4.23Å; Y92-L176 HydrophobicContact CE2-CD2 3.76Å; F95-L176 HydrophobicContact CB-CD1 3.94Å; F95-L176 HydrophobicContact CB-CD2 4.2Å; F95-L176 WeakPolarHBondContact O-CD1 3.49Å; V96-L176 HydrophobicContact CG2-CD2 3.9Å; M99-L176 HydrophobicContact CB-CD1 4.39Å; M99-L176 HydrophobicContact CE-CB 4.4Å; M99-L176 VanDerWaalsContact SD-CA 3.52Å; M99-L176 HydrophobicContact SD-CB 4.08Å; M99-L176 PolarHBondContact SD-N 2.87Å; I155-L176 HydrophobicContact CD1-CD1 4.41Å; I155-L176 HydrophobicContact CD1-CD2 4.16Å; I155-L176 HydrophobicContact CD1-CG 4.19Å; I155-L176 HydrophobicContact CG1-CD2 4.25Å; I155-L176 HydrophobicContact CG2-CD2 3.84Å; I155-L176 HydrophobicContact CG2-CG 4.22Å; E172-L176 WeakPolarHBondContact O-CB 3.15Å; E172-L176 PolarHBondContact O-N 2.92Å; Y173-L176 PolarHBondContact O-N 3.01Å; L176-Q178 VanDerWaalsContact C-N 3.28Å; L176-Q178 PolarHBondContact O-N 3.27Å; L176-M179 HydrophobicContact CD1-CE 3.89Å; L176-M179 PolarHBondContact O-N 2.96Å; L176-I180 HydrophobicContact CD1-CG1 4.33Å; L176-I180 VanDerWaalsContact O-CG1 3.26Å; L176-I180 WeakPolarHBondContact O-CG1 3.22Å; L176-I180 PolarHBondContact O-N 3.43Å |
| 177 | G | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.6 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y173 I180 V181 | Y173-G177 PolarHBondContact O-N 3.21Å; G177-I180 PolarHBondContact O-N 2.92Å; G177-V181 WeakPolarHBondContact O-CG2 3.35Å; G177-V181 PolarHBondContact O-N 2.91Å |
| 178 | Q | 96.6 | Very high | 96.6 | Very high | 94 Ų | 94 | 52.5 Ų | 52.5 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 175.5 | -169.6 | 61.5 | 49.1 | 0 | 0 | 112 | P174 R175 L176 I180 V181 D182 | P174-Q178 WeakPolarHBondContact O-CB 3.42Å; P174-Q178 PolarHBondContact O-N 2.81Å; R175-Q178 PolarHBondContact O-N 3.33Å; L176-Q178 VanDerWaalsContact C-N 3.28Å; L176-Q178 PolarHBondContact O-N 3.27Å; Q178-I180 VanDerWaalsContact C-N 3.31Å; Q178-I180 PolarHBondContact O-N 2.99Å; Q178-V181 PolarHBondContact O-N 2.75Å; Q178-D182 PolarHBondContact NE2-OD1 3.13Å; Q178-D182 WeakPolarHBondContact O-CB 3.25Å; Q178-D182 VanDerWaalsContact O-CG 3.29Å; Q178-D182 PolarHBondContact O-N 2.55Å |
| 179 | M | 97.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 176.4 | -176.8 | -167.9 | 73.8 | 0 | 0 | 111.7 | V98 M99 K102 M142 L145 R175 L176 V181 D182 Y183 | V98-M179 HydrophobicContact CG1-CE 4.48Å; M99-M179 VanDerWaalsContact CA-SD 3.52Å; M99-M179 HydrophobicContact CB-CE 3.91Å; M99-M179 HydrophobicContact CB-SD 3.57Å; M99-M179 VanDerWaalsContact CB-SD 3.57Å; M99-M179 HydrophobicContact CG-SD 3.8Å; K102-M179 HydrophobicContact CD-CG 4.22Å; K102-M179 HydrophobicContact CD-SD 4.01Å; M142-M179 HydrophobicContact CE-CG 4.28Å; M142-M179 HydrophobicContact CE-SD 4.24Å; L145-M179 HydrophobicContact CD2-CE 3.91Å; R175-M179 PolarHBondContact O-N 2.97Å; L176-M179 HydrophobicContact CD1-CE 3.89Å; L176-M179 PolarHBondContact O-N 2.96Å; M179-V181 PolarHBondContact O-N 3.28Å; M179-D182 PolarHBondContact O-N 3.32Å; M179-Y183 HydrophobicContact CG-CD2 3.83Å; M179-Y183 HydrophobicContact CG-CE2 4.16Å; M179-Y183 WeakPolarHBondContact O-CD2 3.19Å; M179-Y183 PolarHBondContact O-N 3.21Å |
| 180 | I | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -33.5 | -178.7 | -67.5 | -72.1 | 0 | 0 | 0 | 112.1 | F64 L145 R151 K152 I155 L176 G177 Q178 E184 | F64-I180 HydrophobicContact CE1-CB 3.97Å; F64-I180 HydrophobicContact CE1-CG2 3.75Å; F64-I180 HydrophobicContact CZ-CB 4.21Å; F64-I180 HydrophobicContact CZ-CG2 4.1Å; L145-I180 HydrophobicContact CD1-CD1 4.24Å; L145-I180 HydrophobicContact CD2-CD1 4.08Å; L145-I180 HydrophobicContact CG-CD1 4.36Å; R151-I180 HydrophobicContact CG-CD1 4.35Å; R151-I180 HydrophobicContact CG-CG2 4.19Å; K152-I180 HydrophobicContact CG-CG2 3.87Å; I155-I180 HydrophobicContact CD1-CD1 3.78Å; I155-I180 HydrophobicContact CD1-CG1 3.69Å; L176-I180 HydrophobicContact CD1-CG1 4.33Å; L176-I180 VanDerWaalsContact O-CG1 3.26Å; L176-I180 WeakPolarHBondContact O-CG1 3.22Å; L176-I180 PolarHBondContact O-N 3.43Å; G177-I180 PolarHBondContact O-N 2.92Å; Q178-I180 VanDerWaalsContact C-N 3.31Å; Q178-I180 PolarHBondContact O-N 2.99Å; I180-E184 PolarHBondContact O-N 3.02Å |
| 181 | V | 96.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 30% | 0.297 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -78.9 | -46.4 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 111 | F64 P65 G177 Q178 M179 Y183 E184 | F64-V181 HydrophobicContact CD1-CG2 4.15Å; F64-V181 HydrophobicContact CE1-CG2 4.19Å; P65-V181 HydrophobicContact CG-CG2 4.05Å; G177-V181 WeakPolarHBondContact O-CG2 3.35Å; G177-V181 PolarHBondContact O-N 2.91Å; Q178-V181 PolarHBondContact O-N 2.75Å; M179-V181 PolarHBondContact O-N 3.28Å; V181-Y183 VanDerWaalsContact C-N 3.28Å; V181-Y183 PolarHBondContact O-N 3.16Å; V181-E184 VanDerWaalsContact O-CB 3.3Å; V181-E184 WeakPolarHBondContact O-CB 3.47Å; V181-E184 PolarHBondContact O-N 2.73Å; V181-E184 VanDerWaalsContact O-N 3.15Å |
| 182 | D | 96.3 | Very high | 96.6 | Very high | 68 Ų | 68 | 46.2 Ų | 46.2 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -39.4 | -178.3 | -72.3 | -10.9 | 0 | 0 | 0 | 112 | Q178 M179 K189 | Q178-D182 PolarHBondContact NE2-OD1 3.13Å; Q178-D182 WeakPolarHBondContact O-CB 3.25Å; Q178-D182 VanDerWaalsContact O-CG 3.29Å; Q178-D182 PolarHBondContact O-N 2.55Å; M179-D182 PolarHBondContact O-N 3.32Å; D182-K189 WeakPolarHBondContact O-CB 3.41Å; D182-K189 WeakPolarHBondContact O-CG 3.38Å |
| 183 | Y | 97 | Very high | 96.6 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 23.8 | 179.5 | -64.1 | -96.8 | 0 | 0 | 0 | 113 | K102 Y138 M142 M179 V181 N185 P186 K189 M190 E193 | K102-Y183 HydrophobicContact CD-CE2 3.85Å; Y138-Y183 WeakPolarHBondContact OH-CE1 3.49Å; Y138-Y183 PolarHBondContact OH-OH 3.05Å; Y138-Y183 VanDerWaalsContact OH-OH 3.07Å; M142-Y183 HydrophobicContact CE-CD1 3.69Å; M142-Y183 HydrophobicContact CE-CD2 3.83Å; M142-Y183 HydrophobicContact CE-CE1 4.35Å; M142-Y183 HydrophobicContact CE-CE2 4.46Å; M142-Y183 HydrophobicContact CE-CG 3.4Å; M142-Y183 HydrophobicContact CG-CD1 4.39Å; M179-Y183 HydrophobicContact CG-CD2 3.83Å; M179-Y183 HydrophobicContact CG-CE2 4.16Å; M179-Y183 WeakPolarHBondContact O-CD2 3.19Å; M179-Y183 PolarHBondContact O-N 3.21Å; V181-Y183 VanDerWaalsContact C-N 3.28Å; V181-Y183 PolarHBondContact O-N 3.16Å; Y183-N185 PolarHBondContact O-N 3.36Å; Y183-P186 WeakPolarHBondContact O-CD 3.46Å; Y183-K189 HydrophobicContact CD1-CB 4.13Å; Y183-K189 HydrophobicContact CD1-CG 3.77Å; Y183-K189 HydrophobicContact CD2-CG 4.39Å; Y183-K189 HydrophobicContact CE1-CB 4.38Å; Y183-K189 HydrophobicContact CE1-CG 3.66Å; Y183-K189 HydrophobicContact CE2-CG 4.31Å; Y183-K189 HydrophobicContact CG-CG 4.14Å; Y183-M190 HydrophobicContact CD1-CG 4.14Å; Y183-M190 HydrophobicContact CE1-CG 3.83Å; Y183-E193 WeakPolarHBondContact CE1-OE2 3.44Å; Y183-E193 PolarHBondContact OH-OE2 3.04Å |
| 184 | E | 94 | Very high | 96.6 | Very high | 95 Ų | 95 | 46.6 Ų | 46.6 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -61.2 | -34.8 | 174.4 | -173.4 | 157.6 | -158.1 | 0 | 0 | 111.7 | K152 I180 V181 | K152-E184 IonicContact NZ-OE1 2.63Å; K152-E184 PolarHBondContact NZ-OE1 3.29Å; K152-E184 IonicContact NZ-OE2 2.7Å; K152-E184 PolarHBondContact NZ-OE2 2.94Å; I180-E184 PolarHBondContact O-N 3.02Å; V181-E184 VanDerWaalsContact O-CB 3.3Å; V181-E184 WeakPolarHBondContact O-CB 3.47Å; V181-E184 PolarHBondContact O-N 2.73Å; V181-E184 VanDerWaalsContact O-N 3.15Å |
| 185 | N | 95.5 | Very high | 96.6 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -111.2 | 90.3 | 161.4 | -173 | -22.2 | 0 | 0 | 0 | 109.3 | Y183 K188 K189 | Y183-N185 PolarHBondContact O-N 3.36Å; N185-K188 HydrophobicContact CB-CB 4.22Å; N185-K188 PolarHBondContact O-N 3.4Å; N185-K188 PolarHBondContact OD1-N 3.26Å; N185-K189 PolarHBondContact O-N 3.3Å; N185-K189 VanDerWaalsContact O-N 3.15Å |
| 186 | P | 96.3 | Very high | 96.5 | Very high | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -48 | -164.1 | 22.5 | -32.5 | 0 | 0 | 0 | 112.4 | M142 I143 Y183 K188 K189 M190 | M142-P186 HydrophobicContact CB-CB 3.88Å; I143-P186 HydrophobicContact CG1-CB 4.49Å; I143-P186 HydrophobicContact CG1-CG 4.03Å; Y183-P186 WeakPolarHBondContact O-CD 3.46Å; P186-K188 PolarHBondContact O-N 2.86Å; P186-K189 PolarHBondContact O-N 2.94Å; P186-M190 WeakPolarHBondContact O-CB 3.38Å; P186-M190 WeakPolarHBondContact O-CG 3.2Å; P186-M190 PolarHBondContact O-N 3.17Å |
| 187 | L | 96.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | -178.2 | -74.9 | 175.5 | 0 | 0 | 0 | 112.3 | T139 I143 K189 M190 M191 F262 F299 L308 | T139-L187 HydrophobicContact CG2-CD2 3.61Å; I143-L187 HydrophobicContact CD1-CD1 4.13Å; I143-L187 HydrophobicContact CD1-CD2 4.05Å; I143-L187 HydrophobicContact CD1-CG 4.01Å; I143-L187 HydrophobicContact CG1-CG 4.28Å; L187-K189 PolarHBondContact O-N 2.85Å; L187-M190 PolarHBondContact O-N 3.11Å; L187-M191 WeakPolarHBondContact O-CG 3.43Å; L187-M191 PolarHBondContact O-N 3.39Å; L187-F262 HydrophobicContact CD2-CD1 4.37Å; L187-F299 HydrophobicContact CD1-CE2 3.86Å; L187-F299 HydrophobicContact CD1-CZ 3.64Å; L187-L308 HydrophobicContact CB-CD1 3.58Å; L187-L308 HydrophobicContact CB-CD2 4.06Å; L187-L308 HydrophobicContact CB-CG 4.47Å; L187-L308 HydrophobicContact CD1-CD1 3.7Å; L187-L308 HydrophobicContact CG-CD1 4.27Å |
| 188 | K | 96.3 | Very high | 96.3 | Very high | 111 Ų | 111 | 46 Ų | 46 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -48 | 175.8 | -176 | -175.8 | 175 | -172.8 | 0 | 111.2 | N185 P186 M191 E192 L308 | N185-K188 HydrophobicContact CB-CB 4.22Å; N185-K188 PolarHBondContact O-N 3.4Å; N185-K188 PolarHBondContact OD1-N 3.26Å; P186-K188 PolarHBondContact O-N 2.86Å; K188-M191 PolarHBondContact O-N 3.41Å; K188-E192 PolarHBondContact O-N 3.28Å; K188-L308 HydrophobicContact CB-CD2 4.01Å |
| 189 | K | 97.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 48 Ų | 48 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.7 | 176.1 | 58.2 | -175.2 | 171 | 0 | 111.7 | D182 Y183 N185 P186 L187 E192 E193 | D182-K189 WeakPolarHBondContact O-CB 3.41Å; D182-K189 WeakPolarHBondContact O-CG 3.38Å; Y183-K189 HydrophobicContact CD1-CB 4.13Å; Y183-K189 HydrophobicContact CD1-CG 3.77Å; Y183-K189 HydrophobicContact CD2-CG 4.39Å; Y183-K189 HydrophobicContact CE1-CB 4.38Å; Y183-K189 HydrophobicContact CE1-CG 3.66Å; Y183-K189 HydrophobicContact CE2-CG 4.31Å; Y183-K189 HydrophobicContact CG-CG 4.14Å; N185-K189 PolarHBondContact O-N 3.3Å; N185-K189 VanDerWaalsContact O-N 3.15Å; P186-K189 PolarHBondContact O-N 2.94Å; L187-K189 PolarHBondContact O-N 2.85Å; K189-E192 PolarHBondContact O-N 2.7Å; K189-E193 PolarHBondContact O-N 3.45Å |
| 190 | M | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.3 | -33.4 | -179.5 | -67.7 | -179.5 | 74.7 | 0 | 0 | 112.6 | Y138 T139 M142 Y183 P186 L187 E192 E193 F194 L266 | Y138-M190 HydrophobicContact CD1-CE 3.55Å; Y138-M190 HydrophobicContact CD2-CE 4.34Å; Y138-M190 HydrophobicContact CE1-CE 3.53Å; Y138-M190 HydrophobicContact CE2-CE 4.25Å; Y138-M190 HydrophobicContact CG-CE 3.97Å; T139-M190 HydrophobicContact CG2-CE 4.4Å; T139-M190 HydrophobicContact CG2-SD 4.32Å; T139-M190 VanDerWaalsContact OG1-CE 3.27Å; T139-M190 WeakPolarHBondContact OG1-CE 3.22Å; M142-M190 HydrophobicContact CB-SD 4.16Å; M142-M190 HydrophobicContact CG-SD 4.24Å; Y183-M190 HydrophobicContact CD1-CG 4.14Å; Y183-M190 HydrophobicContact CE1-CG 3.83Å; P186-M190 WeakPolarHBondContact O-CB 3.38Å; P186-M190 WeakPolarHBondContact O-CG 3.2Å; P186-M190 PolarHBondContact O-N 3.17Å; L187-M190 PolarHBondContact O-N 3.11Å; M190-E192 VanDerWaalsContact C-N 3.27Å; M190-E192 PolarHBondContact O-N 3.08Å; M190-E193 PolarHBondContact O-N 2.84Å; M190-F194 HydrophobicContact CB-CD2 4.28Å; M190-F194 HydrophobicContact CE-CD2 4.48Å; M190-F194 HydrophobicContact CE-CE2 3.66Å; M190-F194 HydrophobicContact CE-CZ 4.24Å; M190-F194 WeakPolarHBondContact O-CB 3.28Å; M190-F194 VanDerWaalsContact O-CD2 3.24Å; M190-F194 WeakPolarHBondContact O-CD2 2.99Å; M190-F194 PolarHBondContact O-N 2.73Å; M190-L266 HydrophobicContact CB-CD2 3.56Å; M190-L266 HydrophobicContact CE-CD2 4.36Å |
| 191 | M | 96.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -38.5 | 172.9 | -72.4 | 168.7 | 77.3 | 0 | 0 | 112.2 | L187 K188 V195 I265 H268 L308 F309 I312 | L187-M191 WeakPolarHBondContact O-CG 3.43Å; L187-M191 PolarHBondContact O-N 3.39Å; K188-M191 PolarHBondContact O-N 3.41Å; M191-V195 WeakPolarHBondContact O-CG2 3.31Å; M191-I265 HydrophobicContact CG-CG2 4.09Å; M191-I265 WeakPolarHBondContact CG-O 3.46Å; M191-I265 HydrophobicContact SD-CG2 3.9Å; M191-H268 HydrophobicContact CE-CB 4.06Å; M191-H268 WeakPolarHBondContact CE-CD2 3.4Å; M191-L308 HydrophobicContact SD-CB 4.39Å; M191-L308 HydrophobicContact SD-CD1 4.31Å; M191-L308 HydrophobicContact SD-CD2 4.38Å; M191-F309 HydrophobicContact CE-CE1 4.37Å; M191-F309 HydrophobicContact CE-CZ 4.44Å; M191-I312 HydrophobicContact CE-CD1 3.29Å; M191-I312 HydrophobicContact SD-CD1 4.33Å |
| 192 | E | 93.8 | Very high | 96.1 | Very high | 115 Ų | 115 | 46.3 Ų | 46.3 | 54% | 0.537 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.7 | -38.6 | 175.5 | -63.8 | 170.5 | -172.4 | 0 | 0 | 111.6 | K188 K189 M190 V195 | K188-E192 PolarHBondContact O-N 3.28Å; K189-E192 PolarHBondContact O-N 2.7Å; M190-E192 VanDerWaalsContact C-N 3.27Å; M190-E192 PolarHBondContact O-N 3.08Å; E192-V195 WeakPolarHBondContact O-CG2 3.24Å |
| 193 | E | 96.2 | Very high | 96.1 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.3 | -35 | 178.9 | -174.6 | -178.8 | 161.6 | 0 | 0 | 113.2 | C106 Y138 Y183 K189 M190 V195 P196 | C106-E193 PolarHBondContact SG-OE1 3.02Å; Y138-E193 PolarHBondContact OH-OE1 2.9Å; Y138-E193 PolarHBondContact OH-OE2 3.1Å; Y183-E193 WeakPolarHBondContact CE1-OE2 3.44Å; Y183-E193 PolarHBondContact OH-OE2 3.04Å; K189-E193 PolarHBondContact O-N 3.45Å; M190-E193 PolarHBondContact O-N 2.84Å; E193-V195 VanDerWaalsContact C-N 3.32Å; E193-V195 PolarHBondContact O-N 3.22Å; E193-P196 VanDerWaalsContact O-CD 3.25Å; E193-P196 WeakPolarHBondContact O-CD 3.44Å; E193-P196 WeakPolarHBondContact O-CG 3.42Å |
| 194 | F | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2 | -176.1 | -86.2 | -106.1 | 0 | 0 | 0 | 114.5 | L109 V135 Y138 M190 H197 G198 L201 L266 | L109-F194 HydrophobicContact CD1-CE1 3.93Å; L109-F194 HydrophobicContact CD1-CE2 4.43Å; L109-F194 HydrophobicContact CD1-CZ 3.64Å; V135-F194 HydrophobicContact CB-CE1 4.49Å; V135-F194 HydrophobicContact CG1-CE1 3.71Å; V135-F194 HydrophobicContact CG1-CZ 4.06Å; V135-F194 HydrophobicContact CG2-CE1 4.04Å; Y138-F194 HydrophobicContact CD1-CE2 4.14Å; Y138-F194 HydrophobicContact CD1-CZ 4.07Å; Y138-F194 AromaticContact CE1-CE2 3.9Å; Y138-F194 HydrophobicContact CE1-CE2 3.9Å; Y138-F194 HydrophobicContact CE1-CZ 4.26Å; M190-F194 HydrophobicContact CB-CD2 4.28Å; M190-F194 HydrophobicContact CE-CD2 4.48Å; M190-F194 HydrophobicContact CE-CE2 3.66Å; M190-F194 HydrophobicContact CE-CZ 4.24Å; M190-F194 WeakPolarHBondContact O-CB 3.28Å; M190-F194 VanDerWaalsContact O-CD2 3.24Å; M190-F194 WeakPolarHBondContact O-CD2 2.99Å; M190-F194 PolarHBondContact O-N 2.73Å; F194-H197 HydrophobicContact CB-CB 4.47Å; F194-H197 HydrophobicContact CD1-CB 3.86Å; F194-H197 AromaticContact CD1-CD2 3.82Å; F194-H197 HydrophobicContact CG-CB 4.42Å; F194-H197 AromaticContact CG-CD2 3.9Å; F194-H197 CarbonylContact O-C 3.47Å; F194-H197 PolarHBondContact O-N 2.76Å; F194-H197 VanDerWaalsContact O-N 3.1Å; F194-G198 PolarHBondContact O-N 3.19Å; F194-L201 HydrophobicContact CD1-CD2 3.91Å; F194-L201 HydrophobicContact CE1-CD2 4.34Å; F194-L266 HydrophobicContact CB-CB 4Å; F194-L266 HydrophobicContact CD1-CB 4.09Å; F194-L266 HydrophobicContact CD1-CD1 4.05Å; F194-L266 HydrophobicContact CD2-CD1 4.47Å; F194-L266 HydrophobicContact CD2-CD2 4.14Å; F194-L266 HydrophobicContact CE1-CD1 3.96Å; F194-L266 HydrophobicContact CE2-CD1 4.38Å; F194-L266 HydrophobicContact CG-CB 4Å; F194-L266 HydrophobicContact CG-CD1 4.3Å; F194-L266 HydrophobicContact CG-CD2 4.3Å; F194-L266 HydrophobicContact CG-CG 4.43Å; F194-L266 HydrophobicContact CZ-CD1 4.12Å |
| 195 | V | 96.3 | Very high | 96.4 | Very high | 101 Ų | 101 | 40 Ų | 40 | 61% | 0.612 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -52.2 | -51.3 | 173 | 176 | 0 | 0 | 0 | 0 | 112.9 | M191 E192 E193 H197 G198 | M191-V195 WeakPolarHBondContact O-CG2 3.31Å; E192-V195 WeakPolarHBondContact O-CG2 3.24Å; E193-V195 VanDerWaalsContact C-N 3.32Å; E193-V195 PolarHBondContact O-N 3.22Å; V195-H197 VanDerWaalsContact C-N 3.29Å; V195-H197 PolarHBondContact O-N 2.58Å; V195-G198 PolarHBondContact O-N 2.94Å |
| 196 | P | 95.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 51% | 0.506 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -34.8 | 174.9 | 23.9 | -35.8 | 0 | 0 | 0 | 113.4 | E193 G198 | E193-P196 VanDerWaalsContact O-CD 3.25Å; E193-P196 WeakPolarHBondContact O-CD 3.44Å; E193-P196 WeakPolarHBondContact O-CG 3.42Å; P196-G198 PolarHBondContact O-N 2.97Å |
| 197 | H | 97.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -4.5 | 179.3 | -50.5 | -39.5 | 0 | 0 | 0 | 113.3 | N110 D113 F194 V195 K199 S200 L201 | N110-H197 PolarHBondContact OD1-CE1 3.08Å; D113-H197 IonicContact OD1-ND1 3.85Å; D113-H197 WeakPolarHBondContact OD2-CA 3.47Å; D113-H197 IonicContact OD2-CE1 2.7Å; D113-H197 PolarHBondContact OD2-CE1 3.37Å; D113-H197 IonicContact OD2-CG 3.49Å; D113-H197 PolarHBondContact OD2-N 2.84Å; D113-H197 IonicContact OD2-ND1 3.63Å; D113-H197 PolarHBondContact OD2-ND1 3.33Å; F194-H197 HydrophobicContact CB-CB 4.47Å; F194-H197 HydrophobicContact CD1-CB 3.86Å; F194-H197 AromaticContact CD1-CD2 3.82Å; F194-H197 HydrophobicContact CG-CB 4.42Å; F194-H197 AromaticContact CG-CD2 3.9Å; F194-H197 CarbonylContact O-C 3.47Å; F194-H197 PolarHBondContact O-N 2.76Å; F194-H197 VanDerWaalsContact O-N 3.1Å; V195-H197 VanDerWaalsContact C-N 3.29Å; V195-H197 PolarHBondContact O-N 2.58Å; H197-K199 VanDerWaalsContact C-N 3.29Å; H197-K199 PolarHBondContact O-N 3.5Å; H197-S200 PolarHBondContact O-OG 2.87Å; H197-S200 VanDerWaalsContact O-OG 3.07Å; H197-L201 VanDerWaalsContact O-CB 3.28Å; H197-L201 WeakPolarHBondContact O-CB 3.49Å; H197-L201 PolarHBondContact O-N 2.8Å; H197-L201 VanDerWaalsContact O-N 3.08Å |
| 198 | G | 93.5 | Very high | 96.7 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -35.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | F194 V195 P196 S202 | F194-G198 PolarHBondContact O-N 3.19Å; V195-G198 PolarHBondContact O-N 2.94Å; P196-G198 PolarHBondContact O-N 2.97Å; G198-S202 WeakPolarHBondContact O-CB 3.47Å; G198-S202 PolarHBondContact O-N 2.99Å; G198-S202 PolarHBondContact O-OG 2.88Å |
| 199 | K | 93.9 | Very high | 96.7 | Very high | 136 Ų | 136 | 36.3 Ų | 36.3 | 59% | 0.591 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -69.6 | -58.5 | -178.3 | -179.4 | 62.9 | 172.4 | 83.4 | 0 | 111.8 | H197 L201 S202 D203 | H197-K199 VanDerWaalsContact C-N 3.29Å; H197-K199 PolarHBondContact O-N 3.5Å; K199-L201 VanDerWaalsContact C-N 3.31Å; K199-L201 PolarHBondContact O-N 2.8Å; K199-S202 PolarHBondContact O-N 2.98Å; K199-S202 PolarHBondContact O-OG 2.97Å; K199-D203 IonicContact NZ-OD1 2.73Å; K199-D203 PolarHBondContact NZ-OD1 2.94Å; K199-D203 IonicContact NZ-OD2 2.93Å; K199-D203 PolarHBondContact NZ-OD2 3.08Å; K199-D203 VanDerWaalsContact O-CG 3.26Å; K199-D203 PolarHBondContact O-N 3.27Å |
| 200 | S | 95.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.1 | -44.3 | -179.2 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | D113 Y131 H197 D203 A204 | D113-S200 PolarHBondContact OD1-OG 2.86Å; Y131-S200 PolarHBondContact OH-OG 2.88Å; H197-S200 PolarHBondContact O-OG 2.87Å; H197-S200 VanDerWaalsContact O-OG 3.07Å; S200-D203 PolarHBondContact O-N 3.45Å; S200-A204 PolarHBondContact O-N 3.26Å |
| 201 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.6 | -175.4 | 57.8 | 0 | 0 | 0 | 112.9 | Y131 L132 V135 F194 H197 K199 D203 A204 L205 L266 C267 | Y131-L201 HydrophobicContact CE1-CB 4.45Å; Y131-L201 HydrophobicContact CE1-CD1 4.02Å; Y131-L201 PolarHBondContact OH-N 2.87Å; L132-L201 HydrophobicContact CD2-CD1 3.82Å; V135-L201 HydrophobicContact CG1-CD1 4.33Å; V135-L201 HydrophobicContact CG1-CD2 4.43Å; F194-L201 HydrophobicContact CD1-CD2 3.91Å; F194-L201 HydrophobicContact CE1-CD2 4.34Å; H197-L201 VanDerWaalsContact O-CB 3.28Å; H197-L201 WeakPolarHBondContact O-CB 3.49Å; H197-L201 PolarHBondContact O-N 2.8Å; H197-L201 VanDerWaalsContact O-N 3.08Å; K199-L201 VanDerWaalsContact C-N 3.31Å; K199-L201 PolarHBondContact O-N 2.8Å; L201-D203 PolarHBondContact O-N 3.08Å; L201-A204 PolarHBondContact O-N 3.47Å; L201-L205 HydrophobicContact CD1-CD1 3.99Å; L201-L205 HydrophobicContact CD1-CG 4.17Å; L201-L205 HydrophobicContact CG-CD1 3.89Å; L201-L205 HydrophobicContact CG-CG 4.49Å; L201-L205 VanDerWaalsContact O-CG 3.23Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 2.86Å; L201-L205 VanDerWaalsContact O-N 3.08Å; L201-L266 HydrophobicContact CD2-CB 3.93Å; L201-L266 HydrophobicContact CD2-CD1 4.41Å; L201-C267 HydrophobicContact CD2-CB 4.19Å; L201-C267 HydrophobicContact CG-CB 4.48Å |
| 202 | S | 97.3 | Very high | 96.8 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 178.1 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | G198 K199 L205 I206 | G198-S202 WeakPolarHBondContact O-CB 3.47Å; G198-S202 PolarHBondContact O-N 2.99Å; G198-S202 PolarHBondContact O-OG 2.88Å; K199-S202 PolarHBondContact O-N 2.98Å; K199-S202 PolarHBondContact O-OG 2.97Å; S202-L205 PolarHBondContact O-N 3.49Å; S202-I206 WeakPolarHBondContact O-CB 3.2Å; S202-I206 WeakPolarHBondContact O-CD1 3.32Å; S202-I206 WeakPolarHBondContact O-CG1 3.28Å; S202-I206 PolarHBondContact O-N 3.35Å |
| 203 | D | 97 | Very high | 97 | Very high | 51 Ų | 51 | 33.7 Ų | 33.7 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.3 | -47.6 | 180 | -65.6 | -24.1 | 0 | 0 | 0 | 111 | K199 S200 L201 L205 I206 S207 | K199-D203 IonicContact NZ-OD1 2.73Å; K199-D203 PolarHBondContact NZ-OD1 2.94Å; K199-D203 IonicContact NZ-OD2 2.93Å; K199-D203 PolarHBondContact NZ-OD2 3.08Å; K199-D203 VanDerWaalsContact O-CG 3.26Å; K199-D203 PolarHBondContact O-N 3.27Å; S200-D203 PolarHBondContact O-N 3.45Å; L201-D203 PolarHBondContact O-N 3.08Å; D203-L205 VanDerWaalsContact C-N 3.34Å; D203-L205 PolarHBondContact O-N 3.01Å; D203-I206 PolarHBondContact O-N 2.97Å; D203-S207 PolarHBondContact O-N 3.34Å; D203-S207 VanDerWaalsContact O-N 3.1Å |
| 204 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F119 T128 Y131 L132 S200 L201 S207 | F119-A204 HydrophobicContact CB-CB 3.67Å; F119-A204 HydrophobicContact CD2-CB 4.38Å; F119-A204 HydrophobicContact CG-CB 3.99Å; T128-A204 HydrophobicContact CG2-CB 4.05Å; Y131-A204 HydrophobicContact CD1-CB 4.2Å; Y131-A204 HydrophobicContact CE1-CB 4.29Å; L132-A204 HydrophobicContact CD2-CB 3.93Å; L132-A204 HydrophobicContact CG-CB 4.3Å; S200-A204 PolarHBondContact O-N 3.26Å; L201-A204 PolarHBondContact O-N 3.47Å; A204-S207 PolarHBondContact O-N 2.69Å; A204-S207 PolarHBondContact O-OG 3.09Å |
| 205 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.9 | -40 | -179.8 | -66.9 | 168.9 | 0 | 0 | 0 | 112.9 | L132 L201 S202 D203 S207 L208 W259 G263 F264 L280 | L132-L205 HydrophobicContact CD2-CD2 3.75Å; L132-L205 HydrophobicContact CD2-CG 4.11Å; L201-L205 HydrophobicContact CD1-CD1 3.99Å; L201-L205 HydrophobicContact CD1-CG 4.17Å; L201-L205 HydrophobicContact CG-CD1 3.89Å; L201-L205 HydrophobicContact CG-CG 4.49Å; L201-L205 VanDerWaalsContact O-CG 3.23Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 2.86Å; L201-L205 VanDerWaalsContact O-N 3.08Å; S202-L205 PolarHBondContact O-N 3.49Å; D203-L205 VanDerWaalsContact C-N 3.34Å; D203-L205 PolarHBondContact O-N 3.01Å; L205-S207 PolarHBondContact O-N 3.41Å; L205-L208 HydrophobicContact CD2-CD1 4.11Å; L205-L208 VanDerWaalsContact O-CB 3.24Å; L205-L208 WeakPolarHBondContact O-CB 3.37Å; L205-L208 PolarHBondContact O-N 3.48Å; L205-L208 VanDerWaalsContact O-N 3.1Å; L205-W259 HydrophobicContact CD2-CB 4.24Å; L205-W259 VanDerWaalsContact CD2-O 3.3Å; L205-W259 WeakPolarHBondContact CD2-O 3.33Å; L205-G263 VanDerWaalsContact CD1-C 3.43Å; L205-F264 HydrophobicContact CB-CE1 3.78Å; L205-F264 HydrophobicContact CB-CE2 4.06Å; L205-F264 HydrophobicContact CB-CZ 3.52Å; L205-F264 HydrophobicContact CD1-CD1 3.85Å; L205-F264 HydrophobicContact CD1-CD2 4.45Å; L205-F264 HydrophobicContact CD1-CE1 3.91Å; L205-F264 HydrophobicContact CD1-CG 4.12Å; L205-F264 HydrophobicContact CD1-CZ 4.27Å; L205-L280 WeakPolarHBondContact O-CD2 3.46Å |
| 206 | I | 98.2 | Very high | 97.1 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 24% | 0.236 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -33.2 | 178.6 | -71.3 | 162.4 | 0 | 0 | 0 | 110.6 | S202 D203 L208 Q209 F264 D274 A277 | S202-I206 WeakPolarHBondContact O-CB 3.2Å; S202-I206 WeakPolarHBondContact O-CD1 3.32Å; S202-I206 WeakPolarHBondContact O-CG1 3.28Å; S202-I206 PolarHBondContact O-N 3.35Å; D203-I206 PolarHBondContact O-N 2.97Å; I206-L208 PolarHBondContact O-N 2.83Å; I206-L208 VanDerWaalsContact O-N 3.14Å; I206-Q209 WeakPolarHBondContact O-CB 3.45Å; I206-Q209 PolarHBondContact O-N 2.89Å; I206-F264 HydrophobicContact CG1-CZ 4.45Å; I206-D274 WeakPolarHBondContact CD1-OD2 3.31Å; I206-A277 HydrophobicContact CG1-CB 4.44Å |
| 207 | S | 98.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 32 Ų | 32 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.9 | -26.4 | 175.1 | 80.3 | 0 | 0 | 0 | 0 | 113.4 | I121 D203 A204 L205 Q209 M210 | I121-S207 WeakPolarHBondContact CB-OG 3.34Å; I121-S207 WeakPolarHBondContact CG2-OG 3.48Å; I121-S207 PolarHBondContact N-OG 3.16Å; D203-S207 PolarHBondContact O-N 3.34Å; D203-S207 VanDerWaalsContact O-N 3.1Å; A204-S207 PolarHBondContact O-N 2.69Å; A204-S207 PolarHBondContact O-OG 3.09Å; L205-S207 PolarHBondContact O-N 3.41Å; S207-Q209 PolarHBondContact O-N 3.35Å; S207-Q209 VanDerWaalsContact O-N 3.14Å; S207-M210 PolarHBondContact O-N 2.64Å |
| 208 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -65.3 | -14.5 | 175.1 | -58.4 | 168.4 | 0 | 0 | 0 | 112.9 | I121 L132 L205 I206 M210 V211 Y212 M256 W259 I260 L280 | I121-L208 HydrophobicContact CB-CD2 4.23Å; I121-L208 HydrophobicContact CG1-CD2 4.02Å; I121-L208 HydrophobicContact CG2-CD2 4.13Å; L132-L208 HydrophobicContact CD1-CD1 4.22Å; L205-L208 HydrophobicContact CD2-CD1 4.11Å; L205-L208 VanDerWaalsContact O-CB 3.24Å; L205-L208 WeakPolarHBondContact O-CB 3.37Å; L205-L208 PolarHBondContact O-N 3.48Å; L205-L208 VanDerWaalsContact O-N 3.1Å; I206-L208 PolarHBondContact O-N 2.83Å; I206-L208 VanDerWaalsContact O-N 3.14Å; L208-M210 PolarHBondContact O-N 3.45Å; L208-M210 VanDerWaalsContact O-N 3.16Å; L208-V211 PolarHBondContact O-N 3.02Å; L208-Y212 PolarHBondContact O-N 3.33Å; L208-M256 HydrophobicContact CB-CE 4.37Å; L208-M256 HydrophobicContact CD2-CE 3.65Å; L208-W259 HydrophobicContact CD1-CB 4.39Å; L208-W259 HydrophobicContact CD1-CE3 4.13Å; L208-W259 HydrophobicContact CD2-CE3 3.96Å; L208-W259 HydrophobicContact CD2-CZ3 4.02Å; L208-I260 HydrophobicContact CD1-CD1 4.26Å; L208-I260 HydrophobicContact CD1-CG1 3.73Å; L208-L280 HydrophobicContact CB-CD2 4.16Å |
| 209 | Q | 96.9 | Very high | 97.4 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -56.2 | -28.7 | 172.9 | -175 | 63.9 | 22.6 | 0 | 0 | 112.3 | I206 S207 V211 P213 | I206-Q209 WeakPolarHBondContact O-CB 3.45Å; I206-Q209 PolarHBondContact O-N 2.89Å; S207-Q209 PolarHBondContact O-N 3.35Å; S207-Q209 VanDerWaalsContact O-N 3.14Å; Q209-V211 VanDerWaalsContact C-N 3.29Å; Q209-V211 PolarHBondContact O-N 2.94Å; Q209-P213 VanDerWaalsContact O-CD 3.28Å; Q209-P213 WeakPolarHBondContact O-CD 3.39Å; Q209-P213 WeakPolarHBondContact O-CG 3.29Å |
| 210 | M | 96.7 | Very high | 97.6 | Very high | 95 Ų | 95 | 31 Ų | 31 | 47% | 0.468 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -79.1 | -9.9 | 177.7 | -63.7 | -173.2 | -77.6 | 0 | 0 | 113.7 | D120 T122 S207 L208 R214 | D120-M210 VanDerWaalsContact OD1-CE 3.27Å; D120-M210 WeakPolarHBondContact OD1-CE 3.45Å; T122-M210 HydrophobicContact CG2-CB 3.99Å; T122-M210 HydrophobicContact CG2-CE 3.66Å; T122-M210 HydrophobicContact CG2-SD 4.26Å; T122-M210 WeakPolarHBondContact OG1-CE 3.48Å; S207-M210 PolarHBondContact O-N 2.64Å; L208-M210 PolarHBondContact O-N 3.45Å; L208-M210 VanDerWaalsContact O-N 3.16Å; M210-R214 WeakPolarHBondContact O-CD 3.5Å; M210-R214 PolarHBondContact O-NE 2.73Å |
| 211 | V | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | -57.1 | -171.7 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | I121 T122 L208 Q209 R214 R215 C248 M256 | I121-V211 HydrophobicContact CG2-CG2 3.98Å; T122-V211 HydrophobicContact CG2-CG2 4.08Å; L208-V211 PolarHBondContact O-N 3.02Å; Q209-V211 VanDerWaalsContact C-N 3.29Å; Q209-V211 PolarHBondContact O-N 2.94Å; V211-R214 WeakPolarHBondContact O-CG 3.3Å; V211-R214 PolarHBondContact O-N 3.27Å; V211-R215 HydrophobicContact CG1-CG 4Å; V211-R215 WeakPolarHBondContact O-CB 3.46Å; V211-R215 WeakPolarHBondContact O-CG 3.42Å; V211-R215 PolarHBondContact O-N 3.42Å; V211-C248 HydrophobicContact CG1-CB 3.87Å; V211-C248 HydrophobicContact CG2-CB 4Å; V211-M256 HydrophobicContact CB-CE 3.68Å; V211-M256 HydrophobicContact CG1-CE 3.51Å; V211-M256 HydrophobicContact CG1-SD 4.09Å |
| 212 | Y | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | -170.1 | -177.8 | -102.1 | 0 | 0 | 0 | 112.8 | L208 R214 R215 N216 L253 M256 E257 I260 L280 L283 A284 | L208-Y212 PolarHBondContact O-N 3.33Å; Y212-R214 PolarHBondContact O-N 2.97Å; Y212-R215 PolarHBondContact O-N 3.39Å; Y212-N216 HydrophobicContact CE1-CB 4.41Å; Y212-N216 VanDerWaalsContact O-CB 3.24Å; Y212-N216 WeakPolarHBondContact O-CB 3.42Å; Y212-N216 PolarHBondContact O-N 2.9Å; Y212-N216 PolarHBondContact OH-ND2 3.07Å; Y212-L253 HydrophobicContact CD2-CD1 3.55Å; Y212-L253 HydrophobicContact CE2-CD1 3.46Å; Y212-L253 VanDerWaalsContact CE2-CD1 3.46Å; Y212-L253 HydrophobicContact CE2-CG 4.18Å; Y212-M256 HydrophobicContact CD2-CB 3.71Å; Y212-M256 HydrophobicContact CD2-CE 4.33Å; Y212-M256 HydrophobicContact CD2-SD 4.39Å; Y212-M256 HydrophobicContact CE2-CB 4.22Å; Y212-E257 HydrophobicContact CE2-CB 4.16Å; Y212-I260 HydrophobicContact CD1-CD1 3.5Å; Y212-I260 HydrophobicContact CD2-CD1 3.7Å; Y212-I260 HydrophobicContact CE1-CD1 3.89Å; Y212-I260 HydrophobicContact CE2-CD1 4.07Å; Y212-I260 HydrophobicContact CG-CD1 3.39Å; Y212-L280 HydrophobicContact CD1-CD1 3.7Å; Y212-L280 HydrophobicContact CG-CD1 4.33Å; Y212-L283 HydrophobicContact CD1-CD2 4.02Å; Y212-L283 HydrophobicContact CE1-CD2 4.01Å; Y212-L283 HydrophobicContact CE1-CG 4.01Å; Y212-A284 HydrophobicContact CE1-CB 4.17Å; Y212-A284 WeakPolarHBondContact OH-CA 3.24Å |
| 213 | P | 98.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 21% | 0.208 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | -179.9 | -23.7 | 35.9 | 0 | 0 | 0 | 113.4 | Q209 R215 N216 L217 L280 L283 | Q209-P213 VanDerWaalsContact O-CD 3.28Å; Q209-P213 WeakPolarHBondContact O-CD 3.39Å; Q209-P213 WeakPolarHBondContact O-CG 3.29Å; P213-R215 VanDerWaalsContact C-N 3.33Å; P213-N216 PolarHBondContact O-N 2.95Å; P213-L217 WeakPolarHBondContact O-CD2 3.22Å; P213-L280 HydrophobicContact CG-CD1 4.08Å; P213-L283 HydrophobicContact CB-CD2 4.11Å; P213-L283 HydrophobicContact CG-CD2 4.25Å |
| 214 | R | 96.7 | Very high | 97.6 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -75.5 | -20.1 | 179 | 67 | 171.9 | -174.8 | 91.8 | -8.1 | 113.6 | M210 V211 Y212 L217 T245 E249 | M210-R214 WeakPolarHBondContact O-CD 3.5Å; M210-R214 PolarHBondContact O-NE 2.73Å; V211-R214 WeakPolarHBondContact O-CG 3.3Å; V211-R214 PolarHBondContact O-N 3.27Å; Y212-R214 PolarHBondContact O-N 2.97Å; R214-L217 VanDerWaalsContact O-CD1 3.27Å; R214-L217 WeakPolarHBondContact O-CD1 3.39Å; R214-L217 WeakPolarHBondContact O-CG 3.37Å; R214-T245 PolarHBondContact NH2-OG1 3.45Å; R214-T245 VanDerWaalsContact NH2-OG1 3.17Å; R214-E249 IonicContact CZ-OE1 3.54Å; R214-E249 IonicContact CZ-OE2 2.78Å; R214-E249 IonicContact NH1-OE1 3.25Å; R214-E249 PolarHBondContact NH1-OE1 3.16Å; R214-E249 IonicContact NH1-OE2 2.97Å; R214-E249 PolarHBondContact NH1-OE2 3.48Å; R214-E249 IonicContact NH2-OE1 3.46Å; R214-E249 PolarHBondContact NH2-OE1 2.96Å; R214-E249 IonicContact NH2-OE2 3.4Å; R214-E249 PolarHBondContact NH2-OE2 2.61Å |
| 215 | R | 97.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -87.1 | -27.5 | 173.2 | -71.6 | -69.8 | -54.1 | -63.1 | -13.2 | 111.9 | V211 Y212 P213 L217 C248 E249 L251 L253 F375 | V211-R215 HydrophobicContact CG1-CG 4Å; V211-R215 WeakPolarHBondContact O-CB 3.46Å; V211-R215 WeakPolarHBondContact O-CG 3.42Å; V211-R215 PolarHBondContact O-N 3.42Å; Y212-R215 PolarHBondContact O-N 3.39Å; P213-R215 VanDerWaalsContact C-N 3.33Å; R215-L217 VanDerWaalsContact C-N 3.32Å; R215-L217 PolarHBondContact O-N 2.91Å; R215-C248 PolarHBondContact NH1-O 3.44Å; R215-E249 PolarHBondContact NE-O 3.34Å; R215-E249 PolarHBondContact NH1-O 3.43Å; R215-E249 VanDerWaalsContact NH1-O 3.13Å; R215-L251 PolarHBondContact NH1-O 3.25Å; R215-L251 PolarHBondContact NH2-O 3.48Å; R215-L253 HydrophobicContact CB-CD1 4.13Å; R215-F375 VanDerWaalsContact NE-CE1 3.29Å |
| 216 | N | 97.8 | Very high | 97.3 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -91.5 | 39.2 | -178.3 | -161.8 | 18.6 | 0 | 0 | 0 | 113.7 | Y212 P213 L253 S287 R340 | Y212-N216 HydrophobicContact CE1-CB 4.41Å; Y212-N216 VanDerWaalsContact O-CB 3.24Å; Y212-N216 WeakPolarHBondContact O-CB 3.42Å; Y212-N216 PolarHBondContact O-N 2.9Å; Y212-N216 PolarHBondContact OH-ND2 3.07Å; P213-N216 PolarHBondContact O-N 2.95Å; N216-L253 HydrophobicContact CB-CD1 4.05Å; N216-L253 HydrophobicContact CB-CD2 4.41Å; N216-S287 PolarHBondContact ND2-OG 3.12Å; N216-R340 PolarHBondContact O-NH2 3.35Å; N216-R340 PolarHBondContact OD1-NH2 2.88Å |
| 217 | L | 96.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | trans | -84.6 | 162.5 | -177.6 | -61.4 | 176.9 | 0 | 0 | 0 | 113 | P213 R214 R215 Q221 R340 | P213-L217 WeakPolarHBondContact O-CD2 3.22Å; R214-L217 VanDerWaalsContact O-CD1 3.27Å; R214-L217 WeakPolarHBondContact O-CD1 3.39Å; R214-L217 WeakPolarHBondContact O-CG 3.37Å; R215-L217 VanDerWaalsContact C-N 3.32Å; R215-L217 PolarHBondContact O-N 2.91Å; L217-Q221 HydrophobicContact CB-CB 4.04Å; L217-Q221 HydrophobicContact CD1-CB 4.45Å; L217-R340 VanDerWaalsContact O-CZ 3.25Å; L217-R340 PolarHBondContact O-NE 3.5Å; L217-R340 PolarHBondContact O-NH2 3.26Å | ||
| 218 | S | 98 | Very high | 97.1 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | trans | -76.7 | 163.3 | 175.6 | 78.3 | 0 | 0 | 0 | 0 | 112.3 | D220 Q221 W222 | S218-D220 PolarHBondContact O-N 3.36Å; S218-D220 PolarHBondContact OG-N 3.4Å; S218-Q221 PolarHBondContact O-N 3.27Å; S218-Q221 VanDerWaalsContact O-N 3.15Å; S218-Q221 PolarHBondContact OG-N 2.88Å; S218-Q221 PolarHBondContact OG-OE1 2.95Å; S218-W222 PolarHBondContact O-N 2.97Å | ||
| 219 | A | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -30.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W222 R223 E339 F343 | A219-W222 PolarHBondContact O-N 3.36Å; A219-R223 WeakPolarHBondContact O-CG 3.18Å; A219-R223 PolarHBondContact O-N 2.88Å; A219-E339 HydrophobicContact CB-CB 3.8Å; A219-E339 WeakPolarHBondContact CB-O 3.07Å; A219-F343 HydrophobicContact CB-CB 4.24Å |
| 220 | D | 97.3 | Very high | 96.9 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 175.1 | -70 | -44.4 | 0 | 0 | 0 | 111.7 | S218 W222 R223 N224 | S218-D220 PolarHBondContact O-N 3.36Å; S218-D220 PolarHBondContact OG-N 3.4Å; D220-W222 VanDerWaalsContact C-N 3.32Å; D220-R223 PolarHBondContact O-N 3.29Å; D220-R223 IonicContact OD1-CZ 2.95Å; D220-R223 IonicContact OD1-NE 2.58Å; D220-R223 PolarHBondContact OD1-NE 3.04Å; D220-R223 IonicContact OD1-NH2 3.94Å; D220-R223 PolarHBondContact OD1-NH2 2.95Å; D220-N224 PolarHBondContact O-N 3.46Å; D220-N224 PolarHBondContact O-ND2 3.25Å |
| 221 | Q | 97.6 | Very high | 96.8 | Very high | 94 Ų | 94 | 49.2 Ų | 49.2 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 175.6 | -67.9 | 171.1 | -49.2 | 0 | 0 | 111.1 | L217 S218 N224 A225 | L217-Q221 HydrophobicContact CB-CB 4.04Å; L217-Q221 HydrophobicContact CD1-CB 4.45Å; S218-Q221 PolarHBondContact O-N 3.27Å; S218-Q221 VanDerWaalsContact O-N 3.15Å; S218-Q221 PolarHBondContact OG-N 2.88Å; S218-Q221 PolarHBondContact OG-OE1 2.95Å; Q221-N224 PolarHBondContact O-N 3.3Å; Q221-A225 WeakPolarHBondContact O-CB 3.32Å; Q221-A225 PolarHBondContact O-N 3.45Å |
| 222 | W | 98.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 173.1 | -66.3 | -10.7 | 0 | 0 | 0 | 113 | S218 A219 D220 A225 Q226 L227 R340 F343 L344 | S218-W222 PolarHBondContact O-N 2.97Å; A219-W222 PolarHBondContact O-N 3.36Å; D220-W222 VanDerWaalsContact C-N 3.32Å; W222-A225 PolarHBondContact O-N 3.47Å; W222-Q226 PolarHBondContact O-N 2.97Å; W222-L227 HydrophobicContact CB-CB 4.15Å; W222-L227 HydrophobicContact CB-CD2 4.04Å; W222-L227 VanDerWaalsContact CD1-CD2 3.49Å; W222-L227 HydrophobicContact CD2-CD2 3.83Å; W222-L227 HydrophobicContact CG-CD2 3.55Å; W222-L227 PolarHBondContact O-N 3.22Å; W222-R340 HydrophobicContact CE3-CB 4.47Å; W222-R340 HydrophobicContact CE3-CG 4.09Å; W222-R340 HydrophobicContact CH2-CB 4.05Å; W222-R340 HydrophobicContact CH2-CG 3.62Å; W222-R340 HydrophobicContact CZ2-CG 4.36Å; W222-R340 HydrophobicContact CZ3-CB 3.63Å; W222-R340 HydrophobicContact CZ3-CG 3.45Å; W222-R340 VanDerWaalsContact CZ3-CG 3.45Å; W222-F343 HydrophobicContact CB-CD1 4.17Å; W222-F343 HydrophobicContact CB-CD2 4.37Å; W222-F343 HydrophobicContact CB-CE1 3.87Å; W222-F343 HydrophobicContact CB-CE2 4.08Å; W222-F343 HydrophobicContact CB-CG 4.41Å; W222-F343 HydrophobicContact CB-CZ 3.82Å; W222-F343 HydrophobicContact CD2-CD1 4.38Å; W222-F343 HydrophobicContact CE3-CB 4.47Å; W222-F343 AromaticContact CE3-CD1 3.53Å; W222-F343 HydrophobicContact CE3-CD1 3.53Å; W222-F343 HydrophobicContact CE3-CE1 4.04Å; W222-F343 HydrophobicContact CE3-CG 4.15Å; W222-F343 HydrophobicContact CZ3-CD1 4.26Å; W222-L344 HydrophobicContact CZ3-CD1 4.16Å; W222-L344 HydrophobicContact CZ3-CD2 4.26Å; W222-L344 HydrophobicContact CZ3-CG 4.03Å |
| 223 | R | 96.7 | Very high | 96.4 | Very high | 96 Ų | 96 | 53.3 Ų | 53.3 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 172.6 | -78.2 | -177.7 | -80.8 | -88 | 7.4 | 111.9 | A219 D220 A225 Q226 F343 | A219-R223 WeakPolarHBondContact O-CG 3.18Å; A219-R223 PolarHBondContact O-N 2.88Å; D220-R223 PolarHBondContact O-N 3.29Å; D220-R223 IonicContact OD1-CZ 2.95Å; D220-R223 IonicContact OD1-NE 2.58Å; D220-R223 PolarHBondContact OD1-NE 3.04Å; D220-R223 IonicContact OD1-NH2 3.94Å; D220-R223 PolarHBondContact OD1-NH2 2.95Å; R223-A225 PolarHBondContact O-N 2.72Å; R223-Q226 PolarHBondContact O-N 3.18Å; R223-F343 HydrophobicContact CB-CE2 4.49Å; R223-F343 HydrophobicContact CG-CD2 3.63Å; R223-F343 HydrophobicContact CG-CE2 3.78Å |
| 224 | N | 96.4 | Very high | 96.2 | Very high | 139 Ų | 139 | 56 Ų | 56 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.6 | -35.6 | 178.7 | -68.6 | -17 | 0 | 0 | 0 | 112.1 | D220 Q221 Q226 | D220-N224 PolarHBondContact O-N 3.46Å; D220-N224 PolarHBondContact O-ND2 3.25Å; Q221-N224 PolarHBondContact O-N 3.3Å; N224-Q226 VanDerWaalsContact C-N 3.31Å |
| 225 | A | 95.2 | Very high | 96.1 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -4.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q221 W222 R223 L227 | Q221-A225 WeakPolarHBondContact O-CB 3.32Å; Q221-A225 PolarHBondContact O-N 3.45Å; W222-A225 PolarHBondContact O-N 3.47Å; R223-A225 PolarHBondContact O-N 2.72Å; A225-L227 PolarHBondContact O-N 2.84Å |
| 226 | Q | 95 | Very high | 95.9 | Very high | 112 Ų | 112 | 58.6 Ų | 58.6 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 43.2 | -171.6 | -58.2 | 179.9 | -70.8 | 0 | 0 | 112.4 | W222 R223 N224 L228 S229 | W222-Q226 PolarHBondContact O-N 2.97Å; R223-Q226 PolarHBondContact O-N 3.18Å; N224-Q226 VanDerWaalsContact C-N 3.31Å; Q226-L228 PolarHBondContact O-N 2.96Å; Q226-S229 WeakPolarHBondContact O-CB 3.36Å; Q226-S229 PolarHBondContact O-N 3.44Å; Q226-S229 VanDerWaalsContact O-N 3.11Å |
| 227 | L | 95.9 | Very high | 95.7 | Very high | 42 Ų | 42 | 60 Ų | 60 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.3 | -172.6 | -176.9 | 63.4 | 0 | 0 | 0 | 111.4 | W222 A225 S229 F343 M371 F375 | W222-L227 HydrophobicContact CB-CB 4.15Å; W222-L227 HydrophobicContact CB-CD2 4.04Å; W222-L227 VanDerWaalsContact CD1-CD2 3.49Å; W222-L227 HydrophobicContact CD2-CD2 3.83Å; W222-L227 HydrophobicContact CG-CD2 3.55Å; W222-L227 PolarHBondContact O-N 3.22Å; A225-L227 PolarHBondContact O-N 2.84Å; L227-S229 PolarHBondContact O-N 3.42Å; L227-F343 HydrophobicContact CB-CE1 4.24Å; L227-F343 HydrophobicContact CB-CZ 3.99Å; L227-F343 WeakPolarHBondContact O-CZ 3.4Å; L227-M371 HydrophobicContact CD1-CE 4.31Å; L227-F375 HydrophobicContact CD2-CD2 4.4Å; L227-F375 HydrophobicContact CD2-CE2 3.95Å; L227-F375 HydrophobicContact CG-CE2 4.46Å |
| 228 | L | 96.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | -1.9 | -177 | -56.7 | 167.8 | 0 | 0 | 0 | 116.7 | Q226 L230 L344 A347 L348 F368 M371 A372 F375 | Q226-L228 PolarHBondContact O-N 2.96Å; L228-L230 PolarHBondContact O-N 2.95Å; L228-L344 HydrophobicContact CD1-CD2 4.37Å; L228-A347 HydrophobicContact CD1-CB 4.44Å; L228-L348 HydrophobicContact CD1-CD1 4.42Å; L228-F368 HydrophobicContact CD2-CB 4.17Å; L228-F368 HydrophobicContact CD2-CG 4.27Å; L228-M371 HydrophobicContact CD2-CB 3.84Å; L228-M371 HydrophobicContact CD2-CE 4.43Å; L228-A372 HydrophobicContact CD1-CB 3.79Å; L228-A372 HydrophobicContact CD2-CB 4.27Å; L228-F375 HydrophobicContact CD1-CD2 4.31Å |
| 229 | S | 96.3 | Very high | 95.5 | Very high | 23 Ų | 23 | 66.8 Ų | 66.8 | 16% | 0.161 | 38% | 0.376 | C | S | . | . | trans | -71 | 130.4 | 178.5 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | Q226 L227 I231 S232 E350 | Q226-S229 WeakPolarHBondContact O-CB 3.36Å; Q226-S229 PolarHBondContact O-N 3.44Å; Q226-S229 VanDerWaalsContact O-N 3.11Å; L227-S229 PolarHBondContact O-N 3.42Å; S229-I231 WeakPolarHBondContact OG-CG1 3.23Å; S229-I231 PolarHBondContact OG-N 3.37Å; S229-S232 PolarHBondContact O-OG 3.18Å; S229-S232 PolarHBondContact OG-N 3.49Å; S229-E350 PolarHBondContact OG-OE1 2.81Å | ||
| 230 | L | 94.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -87.8 | -14.5 | 173 | -65.9 | -176.2 | 0 | 0 | 0 | 112.8 | L228 M237 L351 V354 L355 L361 K365 F368 | L228-L230 PolarHBondContact O-N 2.95Å; L230-M237 WeakPolarHBondContact O-CG 3.5Å; L230-L351 HydrophobicContact CD1-CD1 3.54Å; L230-L351 HydrophobicContact CD2-CD1 4.33Å; L230-L351 HydrophobicContact CG-CD1 3.74Å; L230-V354 HydrophobicContact CB-CG1 4.33Å; L230-V354 HydrophobicContact CD1-CB 4.35Å; L230-V354 HydrophobicContact CD1-CG1 3.82Å; L230-L355 HydrophobicContact CD1-CD2 4.04Å; L230-L355 HydrophobicContact CD1-CG 4.26Å; L230-L361 HydrophobicContact CD1-CD1 4.49Å; L230-K365 HydrophobicContact CD2-CB 4.06Å; L230-K365 HydrophobicContact CD2-CD 3.75Å; L230-K365 HydrophobicContact CD2-CG 3.67Å; L230-F368 HydrophobicContact CD2-CD2 3.56Å; L230-F368 HydrophobicContact CD2-CE2 3.94Å |
| 231 | I | 95.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 64.5 Ų | 64.5 | 42% | 0.415 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -113.1 | -2.5 | -171.2 | 61.3 | 173.1 | 0 | 0 | 0 | 113.2 | S229 A233 P234 E350 V354 | S229-I231 WeakPolarHBondContact OG-CG1 3.23Å; S229-I231 PolarHBondContact OG-N 3.37Å; I231-A233 VanDerWaalsContact C-N 3.26Å; I231-A233 PolarHBondContact O-N 2.9Å; I231-P234 WeakPolarHBondContact O-CD 3.45Å; I231-P234 WeakPolarHBondContact O-CG 3.16Å; I231-E350 HydrophobicContact CD1-CG 4.33Å; I231-E350 WeakPolarHBondContact CG1-OE1 3.43Å; I231-V354 HydrophobicContact CG2-CG2 4.46Å |
| 232 | S | 93.8 | Very high | 95.2 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -59.5 | -37.7 | 173.4 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | S229 | S229-S232 PolarHBondContact O-OG 3.18Å; S229-S232 PolarHBondContact OG-N 3.49Å |
| 233 | A | 94.4 | Very high | 95.1 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -131.6 | 82.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I231 S235 T236 | I231-A233 VanDerWaalsContact C-N 3.26Å; I231-A233 PolarHBondContact O-N 2.9Å; A233-S235 PolarHBondContact O-N 2.94Å; A233-S235 VanDerWaalsContact O-N 3.08Å; A233-T236 HydrophobicContact CB-CG2 4.2Å; A233-T236 PolarHBondContact O-N 3.47Å; A233-T236 PolarHBondContact O-OG1 2.76Å |
| 234 | P | 92.4 | Very high | 94.8 | Very high | 88 Ų | 88 | 66 Ų | 66 | 57% | 0.571 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -56.9 | -29.8 | -172 | -27.6 | 35.7 | 0 | 0 | 0 | 114.7 | I231 T236 M237 | I231-P234 WeakPolarHBondContact O-CD 3.45Å; I231-P234 WeakPolarHBondContact O-CG 3.16Å; P234-T236 PolarHBondContact O-N 3.16Å; P234-T236 VanDerWaalsContact O-N 3.16Å; P234-M237 VanDerWaalsContact O-CG 3.31Å; P234-M237 WeakPolarHBondContact O-CG 3.16Å; P234-M237 PolarHBondContact O-N 3.38Å |
| 235 | S | 94.4 | Very high | 94.8 | Very high | 108 Ų | 108 | 60.2 Ų | 60.2 | 76% | 0.755 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -64.2 | -15.6 | 176.1 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | A233 | A233-S235 PolarHBondContact O-N 2.94Å; A233-S235 VanDerWaalsContact O-N 3.08Å |
| 236 | T | 94.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -105.3 | 8.6 | -177.3 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | A233 P234 L238 N239 K365 | A233-T236 HydrophobicContact CB-CG2 4.2Å; A233-T236 PolarHBondContact O-N 3.47Å; A233-T236 PolarHBondContact O-OG1 2.76Å; P234-T236 PolarHBondContact O-N 3.16Å; P234-T236 VanDerWaalsContact O-N 3.16Å; T236-L238 VanDerWaalsContact C-N 3.25Å; T236-L238 PolarHBondContact O-N 2.87Å; T236-N239 WeakPolarHBondContact O-CB 3.33Å; T236-N239 PolarHBondContact O-N 3.16Å; T236-N239 VanDerWaalsContact O-N 3.11Å; T236-K365 PolarHBondContact O-NZ 3.47Å |
| 237 | M | 93 | Very high | 95 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.5 | -179 | -74.2 | -178.2 | 74.2 | 0 | 0 | 112.9 | L230 P234 V354 L361 K365 | L230-M237 WeakPolarHBondContact O-CG 3.5Å; P234-M237 VanDerWaalsContact O-CG 3.31Å; P234-M237 WeakPolarHBondContact O-CG 3.16Å; P234-M237 PolarHBondContact O-N 3.38Å; M237-V354 HydrophobicContact CE-CG1 4.36Å; M237-L361 HydrophobicContact CB-CD2 4.46Å; M237-L361 HydrophobicContact CE-CD1 3.61Å; M237-L361 WeakPolarHBondContact O-CD2 3.37Å; M237-K365 WeakPolarHBondContact O-CE 3.38Å |
| 238 | L | 95.1 | Very high | 95.1 | Very high | 143 Ų | 143 | 49.9 Ų | 49.9 | 75% | 0.749 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -17.2 | 178.7 | -62.4 | 176.3 | 0 | 0 | 0 | 113.5 | T236 | T236-L238 VanDerWaalsContact C-N 3.25Å; T236-L238 PolarHBondContact O-N 2.87Å |
| 239 | N | 96.6 | Very high | 95.2 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -72.8 | 139.6 | -177.2 | -60.7 | 2.2 | 0 | 0 | 0 | 109.9 | T236 A241 K365 | T236-N239 WeakPolarHBondContact O-CB 3.33Å; T236-N239 PolarHBondContact O-N 3.16Å; T236-N239 VanDerWaalsContact O-N 3.11Å; N239-A241 PolarHBondContact O-N 3Å; N239-K365 WeakPolarHBondContact O-CE 3.35Å; N239-K365 PolarHBondContact O-NZ 3.45Å |
| 240 | P | 96.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 49.7 Ų | 49.7 | 26% | 0.26 | 29% | 0.29 | S | S | . | . | trans | -61.7 | 131.2 | 174.4 | 25 | -32.3 | 0 | 0 | 0 | 110.6 | Q242 P364 Y431 | P240-Q242 PolarHBondContact O-N 3.27Å; P240-P364 CarbonylContact C-O 3.49Å; P240-P364 WeakPolarHBondContact CA-O 3.5Å; P240-Y431 HydrophobicContact CB-CE2 4.16Å; P240-Y431 HydrophobicContact CG-CE2 4.24Å | ||
| 241 | A | 95.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | trans | -75.9 | 106.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108 | N239 P364 K365 L367 F368 | N239-A241 PolarHBondContact O-N 3Å; A241-P364 PolarHBondContact N-O 3.45Å; A241-K365 HydrophobicContact CB-CD 4Å; A241-L367 HydrophobicContact CB-CB 4.38Å; A241-L367 WeakPolarHBondContact O-CD2 3.45Å; A241-F368 HydrophobicContact CB-CD1 3.76Å; A241-F368 HydrophobicContact CB-CE1 3.61Å; A241-F368 HydrophobicContact CB-CG 4.45Å; A241-F368 HydrophobicContact CB-CZ 4.18Å | ||
| 242 | Q | 93.9 | Very high | 95.6 | Very high | 108 Ų | 108 | 46.5 Ų | 46.5 | 51% | 0.505 | 28% | 0.275 | S | S | . | . | trans | -140.3 | 151.2 | -175 | 61 | -175.2 | -9.5 | 0 | 0 | 111.9 | P240 M246 Y431 | P240-Q242 PolarHBondContact O-N 3.27Å; Q242-M246 HydrophobicContact CB-CE 3.43Å; Q242-M246 VanDerWaalsContact CB-CE 3.43Å; Q242-M246 HydrophobicContact CB-SD 4.24Å; Q242-Y431 PolarHBondContact OE1-OH 2.91Å | ||
| 243 | S | 94.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | trans | -139.8 | 158.5 | 165.3 | 79.4 | 0 | 0 | 0 | 0 | 109.2 | T245 M246 E249 | S243-T245 PolarHBondContact O-N 3.01Å; S243-T245 PolarHBondContact OG-N 2.9Å; S243-M246 WeakPolarHBondContact O-CG 3.47Å; S243-M246 PolarHBondContact O-N 3.34Å; S243-M246 PolarHBondContact OG-N 2.93Å; S243-E249 VanDerWaalsContact OG-CG 3.24Å; S243-E249 WeakPolarHBondContact OG-CG 3.43Å; S243-E249 PolarHBondContact OG-OE1 3.27Å | ||
| 244 | D | 90.4 | Very high | 96 | Very high | 100 Ų | 100 | 44.1 Ų | 44.1 | 54% | 0.535 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5.8 | 178.8 | -24.9 | -3.3 | 0 | 0 | 0 | 112 | K512 | D244-K512 HydrophobicContact CB-CB 4.24Å; D244-K512 HydrophobicContact CB-CD 3.94Å; D244-K512 HydrophobicContact CB-CG 4.36Å; D244-K512 WeakPolarHBondContact O-CB 3.29Å |
| 245 | T | 95.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 44.5 | 178.3 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | T122 R214 S243 P247 C248 E249 | T122-T245 HydrophobicContact CG2-CG2 3.93Å; R214-T245 PolarHBondContact NH2-OG1 3.45Å; R214-T245 VanDerWaalsContact NH2-OG1 3.17Å; S243-T245 PolarHBondContact O-N 3.01Å; S243-T245 PolarHBondContact OG-N 2.9Å; T245-P247 VanDerWaalsContact C-CD 3.47Å; T245-P247 VanDerWaalsContact O-N 3.15Å; T245-C248 WeakPolarHBondContact O-CA 3.36Å; T245-C248 VanDerWaalsContact O-CB 3.26Å; T245-C248 WeakPolarHBondContact O-CB 3.33Å; T245-C248 PolarHBondContact O-N 3.43Å; T245-E249 PolarHBondContact O-N 2.96Å; T245-E249 PolarHBondContact OG1-OE1 3.41Å |
| 246 | M | 97.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -34.9 | -56.6 | 178.7 | -70.9 | -62.9 | -145.4 | 0 | 0 | 114.7 | Q242 S243 C248 E249 Y250 L367 T516 F519 | Q242-M246 HydrophobicContact CB-CE 3.43Å; Q242-M246 VanDerWaalsContact CB-CE 3.43Å; Q242-M246 HydrophobicContact CB-SD 4.24Å; S243-M246 WeakPolarHBondContact O-CG 3.47Å; S243-M246 PolarHBondContact O-N 3.34Å; S243-M246 PolarHBondContact OG-N 2.93Å; M246-C248 PolarHBondContact O-N 3.45Å; M246-E249 PolarHBondContact O-N 3.14Å; M246-E249 VanDerWaalsContact O-N 3.09Å; M246-Y250 WeakPolarHBondContact O-CD1 3.4Å; M246-Y250 WeakPolarHBondContact O-CE1 3.47Å; M246-L367 HydrophobicContact SD-CD1 4.07Å; M246-L367 HydrophobicContact SD-CD2 3.72Å; M246-L367 HydrophobicContact SD-CG 4.4Å; M246-T516 HydrophobicContact CE-CG2 3.99Å; M246-T516 HydrophobicContact CG-CG2 4.01Å; M246-F519 HydrophobicContact CB-CB 3.96Å; M246-F519 HydrophobicContact CB-CD1 4.48Å; M246-F519 HydrophobicContact CB-CG 4.16Å; M246-F519 HydrophobicContact CE-CD1 4.04Å; M246-F519 HydrophobicContact CE-CE1 4.33Å; M246-F519 HydrophobicContact CG-CB 4.37Å; M246-F519 HydrophobicContact CG-CD1 4.33Å; M246-F519 HydrophobicContact CG-CG 4.47Å; M246-F519 HydrophobicContact SD-CD1 4.32Å |
| 247 | P | 97.5 | Very high | 96.6 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -23.1 | -176.8 | 29.3 | -38.3 | 0 | 0 | 0 | 114 | F125 T245 E249 L251 N515 | F125-P247 HydrophobicContact CB-CG 4.15Å; F125-P247 HydrophobicContact CD1-CB 3.81Å; F125-P247 HydrophobicContact CD1-CG 3.89Å; F125-P247 HydrophobicContact CD2-CB 3.97Å; F125-P247 HydrophobicContact CD2-CG 3.73Å; F125-P247 HydrophobicContact CE1-CB 3.63Å; F125-P247 HydrophobicContact CE1-CG 4.22Å; F125-P247 HydrophobicContact CE2-CB 3.78Å; F125-P247 HydrophobicContact CE2-CG 4.06Å; F125-P247 HydrophobicContact CG-CB 3.98Å; F125-P247 HydrophobicContact CG-CG 3.63Å; F125-P247 HydrophobicContact CZ-CB 3.62Å; F125-P247 HydrophobicContact CZ-CG 4.3Å; T245-P247 VanDerWaalsContact C-CD 3.47Å; T245-P247 VanDerWaalsContact O-N 3.15Å; P247-E249 VanDerWaalsContact C-N 3.31Å; P247-L251 WeakPolarHBondContact O-CB 3.35Å; P247-L251 PolarHBondContact O-N 2.87Å; P247-N515 HydrophobicContact CG-CB 4.12Å |
| 248 | C | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75 | -19.3 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | V211 R215 T245 M246 | V211-C248 HydrophobicContact CG1-CB 3.87Å; V211-C248 HydrophobicContact CG2-CB 4Å; R215-C248 PolarHBondContact NH1-O 3.44Å; T245-C248 WeakPolarHBondContact O-CA 3.36Å; T245-C248 VanDerWaalsContact O-CB 3.26Å; T245-C248 WeakPolarHBondContact O-CB 3.33Å; T245-C248 PolarHBondContact O-N 3.43Å; M246-C248 PolarHBondContact O-N 3.45Å |
| 249 | E | 98.3 | Very high | 97.1 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -74.4 | -29.9 | -177.6 | -55.4 | -50.2 | 149 | 0 | 0 | 112.7 | R214 R215 S243 T245 M246 P247 L367 M371 F375 | R214-E249 IonicContact CZ-OE1 3.54Å; R214-E249 IonicContact CZ-OE2 2.78Å; R214-E249 IonicContact NH1-OE1 3.25Å; R214-E249 PolarHBondContact NH1-OE1 3.16Å; R214-E249 IonicContact NH1-OE2 2.97Å; R214-E249 PolarHBondContact NH1-OE2 3.48Å; R214-E249 IonicContact NH2-OE1 3.46Å; R214-E249 PolarHBondContact NH2-OE1 2.96Å; R214-E249 IonicContact NH2-OE2 3.4Å; R214-E249 PolarHBondContact NH2-OE2 2.61Å; R215-E249 PolarHBondContact NE-O 3.34Å; R215-E249 PolarHBondContact NH1-O 3.43Å; R215-E249 VanDerWaalsContact NH1-O 3.13Å; S243-E249 VanDerWaalsContact OG-CG 3.24Å; S243-E249 WeakPolarHBondContact OG-CG 3.43Å; S243-E249 PolarHBondContact OG-OE1 3.27Å; T245-E249 PolarHBondContact O-N 2.96Å; T245-E249 PolarHBondContact OG1-OE1 3.41Å; M246-E249 PolarHBondContact O-N 3.14Å; M246-E249 VanDerWaalsContact O-N 3.09Å; P247-E249 VanDerWaalsContact C-N 3.31Å; E249-L367 HydrophobicContact CB-CD1 4.14Å; E249-L367 HydrophobicContact CG-CD2 4.34Å; E249-M371 HydrophobicContact CB-CE 4.42Å; E249-M371 HydrophobicContact CB-CG 3.97Å; E249-M371 HydrophobicContact CB-SD 4.03Å; E249-F375 WeakPolarHBondContact O-CE1 3.36Å |
| 250 | Y | 98.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -113.7 | -0.5 | 178 | 63.3 | -97.9 | 0 | 0 | 0 | 113.5 | M246 S252 L367 F370 S374 F519 M530 T534 | M246-Y250 WeakPolarHBondContact O-CD1 3.4Å; M246-Y250 WeakPolarHBondContact O-CE1 3.47Å; Y250-S252 PolarHBondContact O-N 2.86Å; Y250-L367 HydrophobicContact CD1-CD1 4.06Å; Y250-F370 HydrophobicContact CD1-CB 4.45Å; Y250-F370 HydrophobicContact CG-CB 4.29Å; Y250-S374 VanDerWaalsContact O-CB 3.25Å; Y250-S374 WeakPolarHBondContact O-CB 3.09Å; Y250-S374 PolarHBondContact O-OG 3.49Å; Y250-F519 HydrophobicContact CD1-CE2 4.37Å; Y250-F519 AromaticContact CE1-CD2 3.63Å; Y250-F519 HydrophobicContact CE1-CD2 3.63Å; Y250-F519 AromaticContact CE1-CE2 3.74Å; Y250-F519 HydrophobicContact CE1-CE2 3.74Å; Y250-M530 HydrophobicContact CD2-CE 4.2Å; Y250-M530 HydrophobicContact CE1-CE 4.15Å; Y250-M530 HydrophobicContact CE2-CE 3.74Å; Y250-M530 HydrophobicContact CE2-SD 4.37Å; Y250-T534 HydrophobicContact CD2-CG2 3.81Å; Y250-T534 HydrophobicContact CG-CG2 4.38Å |
| 251 | L | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -52.8 | 132.8 | 170.7 | 177 | 63.6 | 0 | 0 | 0 | 110.2 | F125 K129 R215 P247 L253 M256 W259 | F125-L251 HydrophobicContact CE2-CD2 4.22Å; F125-L251 HydrophobicContact CZ-CD1 4.43Å; K129-L251 HydrophobicContact CD-CD1 4.46Å; R215-L251 PolarHBondContact NH1-O 3.25Å; R215-L251 PolarHBondContact NH2-O 3.48Å; P247-L251 WeakPolarHBondContact O-CB 3.35Å; P247-L251 PolarHBondContact O-N 2.87Å; L251-L253 PolarHBondContact O-N 3.44Å; L251-M256 HydrophobicContact CD2-CE 4.37Å; L251-M256 HydrophobicContact CD2-CG 3.62Å; L251-M256 HydrophobicContact CD2-SD 3.75Å; L251-M256 HydrophobicContact CG-CG 3.96Å; L251-M256 HydrophobicContact CG-SD 4.11Å; L251-W259 HydrophobicContact CD1-CH2 3.75Å; L251-W259 HydrophobicContact CD1-CZ2 4.46Å; L251-W259 HydrophobicContact CD1-CZ3 4.47Å; L251-W259 HydrophobicContact CD2-CH2 3.72Å; L251-W259 HydrophobicContact CD2-CZ3 3.63Å; L251-W259 HydrophobicContact CG-CH2 4.27Å |
| 252 | S | 98.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 19.8 Ų | 19.8 | 11% | 0.112 | 11% | 0.108 | C | C | . | . | trans | -61.2 | 128.3 | -177.2 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | Y250 D254 A255 M256 D378 | Y250-S252 PolarHBondContact O-N 2.86Å; S252-D254 PolarHBondContact O-N 3.09Å; S252-D254 PolarHBondContact OG-N 2.94Å; S252-A255 PolarHBondContact O-N 3.41Å; S252-M256 WeakPolarHBondContact O-CG 3.37Å; S252-M256 PolarHBondContact O-N 3.01Å; S252-D378 WeakPolarHBondContact CA-OD2 3.26Å; S252-D378 PolarHBondContact OG-OD1 2.88Å; S252-D378 PolarHBondContact OG-OD2 3.23Å | ||
| 253 | L | 98.3 | Very high | 97.6 | Very high | 18 Ų | 18 | 14.7 Ų | 14.7 | 9% | 0.094 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.9 | -33.1 | 174.9 | -171.5 | 66.5 | 0 | 0 | 0 | 111.3 | Y212 R215 N216 L251 M256 E257 D378 | Y212-L253 HydrophobicContact CD2-CD1 3.55Å; Y212-L253 HydrophobicContact CE2-CD1 3.46Å; Y212-L253 VanDerWaalsContact CE2-CD1 3.46Å; Y212-L253 HydrophobicContact CE2-CG 4.18Å; R215-L253 HydrophobicContact CB-CD1 4.13Å; N216-L253 HydrophobicContact CB-CD1 4.05Å; N216-L253 HydrophobicContact CB-CD2 4.41Å; L251-L253 PolarHBondContact O-N 3.44Å; L253-M256 PolarHBondContact O-N 3.32Å; L253-E257 WeakPolarHBondContact O-CB 3.5Å; L253-E257 PolarHBondContact O-N 3.44Å; L253-D378 WeakPolarHBondContact CB-OD2 3.37Å; L253-D378 PolarHBondContact N-OD2 3.44Å |
| 254 | D | 97.5 | Very high | 97.8 | Very high | 20 Ų | 20 | 13.3 Ų | 13.3 | 11% | 0.107 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.7 | -170.9 | 82.7 | 0 | 0 | 0 | 111.9 | S252 E257 K258 I381 R385 | S252-D254 PolarHBondContact O-N 3.09Å; S252-D254 PolarHBondContact OG-N 2.94Å; D254-E257 PolarHBondContact O-N 3.27Å; D254-K258 WeakPolarHBondContact O-CG 3.5Å; D254-K258 PolarHBondContact O-N 2.98Å; D254-K258 VanDerWaalsContact O-N 3.1Å; D254-I381 HydrophobicContact CB-CD1 3.89Å; D254-R385 IonicContact OD1-CZ 2.92Å; D254-R385 IonicContact OD1-NH1 2.69Å; D254-R385 PolarHBondContact OD1-NH1 2.8Å; D254-R385 IonicContact OD1-NH2 2.7Å; D254-R385 PolarHBondContact OD1-NH2 3.15Å |
| 255 | A | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 8.6 Ų | 8.6 | 22% | 0.215 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S252 E257 K258 W259 | S252-A255 PolarHBondContact O-N 3.41Å; A255-E257 VanDerWaalsContact C-N 3.3Å; A255-E257 PolarHBondContact O-N 2.87Å; A255-K258 WeakPolarHBondContact O-CB 3.35Å; A255-K258 PolarHBondContact O-N 3.26Å; A255-W259 HydrophobicContact CB-CZ2 4.35Å; A255-W259 VanDerWaalsContact O-CG 3.26Å; A255-W259 PolarHBondContact O-N 2.72Å |
| 256 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 177 | -64.6 | 177.5 | 80.8 | 0 | 0 | 112.2 | L208 V211 Y212 L251 S252 L253 K258 W259 I260 | L208-M256 HydrophobicContact CB-CE 4.37Å; L208-M256 HydrophobicContact CD2-CE 3.65Å; V211-M256 HydrophobicContact CB-CE 3.68Å; V211-M256 HydrophobicContact CG1-CE 3.51Å; V211-M256 HydrophobicContact CG1-SD 4.09Å; Y212-M256 HydrophobicContact CD2-CB 3.71Å; Y212-M256 HydrophobicContact CD2-CE 4.33Å; Y212-M256 HydrophobicContact CD2-SD 4.39Å; Y212-M256 HydrophobicContact CE2-CB 4.22Å; L251-M256 HydrophobicContact CD2-CE 4.37Å; L251-M256 HydrophobicContact CD2-CG 3.62Å; L251-M256 HydrophobicContact CD2-SD 3.75Å; L251-M256 HydrophobicContact CG-CG 3.96Å; L251-M256 HydrophobicContact CG-SD 4.11Å; S252-M256 WeakPolarHBondContact O-CG 3.37Å; S252-M256 PolarHBondContact O-N 3.01Å; L253-M256 PolarHBondContact O-N 3.32Å; M256-K258 VanDerWaalsContact C-N 3.34Å; M256-K258 PolarHBondContact O-N 3.31Å; M256-W259 HydrophobicContact CB-CE3 4.35Å; M256-W259 HydrophobicContact CG-CE3 4.05Å; M256-W259 HydrophobicContact CG-CZ3 3.95Å; M256-W259 PolarHBondContact O-N 2.97Å; M256-I260 VanDerWaalsContact O-CG1 3.29Å; M256-I260 WeakPolarHBondContact O-CG1 3.36Å; M256-I260 PolarHBondContact O-N 3.02Å |
| 257 | E | 98.5 | Very high | 98.3 | Very high | 7 Ų | 7 | 8 Ų | 8 | 3% | 0.033 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.4 | -170.3 | 179.8 | -144.6 | 0 | 0 | 111.1 | Y212 L253 D254 A255 I260 V261 A284 S287 S288 L291 R385 | Y212-E257 HydrophobicContact CE2-CB 4.16Å; L253-E257 WeakPolarHBondContact O-CB 3.5Å; L253-E257 PolarHBondContact O-N 3.44Å; D254-E257 PolarHBondContact O-N 3.27Å; A255-E257 VanDerWaalsContact C-N 3.3Å; A255-E257 PolarHBondContact O-N 2.87Å; E257-I260 PolarHBondContact O-N 3.15Å; E257-V261 HydrophobicContact CG-CG2 4.44Å; E257-V261 WeakPolarHBondContact O-CB 3.42Å; E257-V261 VanDerWaalsContact O-CG2 3.28Å; E257-V261 WeakPolarHBondContact O-CG2 3.28Å; E257-V261 PolarHBondContact O-N 3.45Å; E257-A284 HydrophobicContact CG-CB 4.21Å; E257-S287 VanDerWaalsContact OE1-CB 3.32Å; E257-S287 WeakPolarHBondContact OE1-CB 3.48Å; E257-S288 WeakPolarHBondContact OE1-CB 3.42Å; E257-S288 PolarHBondContact OE1-N 3.38Å; E257-S288 PolarHBondContact OE1-OG 2.98Å; E257-S288 PolarHBondContact OE2-OG 3.38Å; E257-L291 HydrophobicContact CG-CD2 3.89Å; E257-L291 WeakPolarHBondContact OE2-CD2 3.45Å; E257-R385 IonicContact OE2-NH2 3.97Å |
| 258 | K | 98.3 | Very high | 98.2 | Very high | 32 Ų | 32 | 9.2 Ų | 9.2 | 14% | 0.139 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 174.1 | -71.8 | 172.3 | 59.6 | 165.8 | 0 | 112.4 | V136 D254 A255 M256 F262 L291 C292 L293 | V136-K258 HydrophobicContact CG1-CB 4.19Å; D254-K258 WeakPolarHBondContact O-CG 3.5Å; D254-K258 PolarHBondContact O-N 2.98Å; D254-K258 VanDerWaalsContact O-N 3.1Å; A255-K258 WeakPolarHBondContact O-CB 3.35Å; A255-K258 PolarHBondContact O-N 3.26Å; M256-K258 VanDerWaalsContact C-N 3.34Å; M256-K258 PolarHBondContact O-N 3.31Å; K258-F262 HydrophobicContact CB-CD2 4.41Å; K258-F262 WeakPolarHBondContact O-CB 3.43Å; K258-F262 WeakPolarHBondContact O-CD2 3.47Å; K258-F262 PolarHBondContact O-N 3.47Å; K258-L291 HydrophobicContact CG-CB 4.35Å; K258-L291 HydrophobicContact CG-CD1 4.23Å; K258-L291 HydrophobicContact CG-CD2 4.46Å; K258-C292 WeakPolarHBondContact CD-O 3.34Å; K258-C292 WeakPolarHBondContact CE-O 3.46Å; K258-C292 PolarHBondContact NZ-O 2.87Å; K258-L293 PolarHBondContact NZ-O 3.37Å |
| 259 | W | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 12 Ų | 12 | 1% | 0.011 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 176.6 | -58.3 | -25.6 | 0 | 0 | 0 | 111.2 | I121 K129 L132 D133 L205 L208 L251 A255 M256 G263 | I121-W259 HydrophobicContact CD1-CZ3 4.48Å; K129-W259 HydrophobicContact CB-CH2 4.31Å; K129-W259 HydrophobicContact CG-CH2 3.85Å; K129-W259 HydrophobicContact CG-CZ2 3.93Å; L132-W259 HydrophobicContact CB-CB 4.45Å; L132-W259 HydrophobicContact CB-CD2 3.92Å; L132-W259 HydrophobicContact CB-CE3 4.42Å; L132-W259 HydrophobicContact CB-CG 3.9Å; L132-W259 HydrophobicContact CD1-CB 4.4Å; L132-W259 HydrophobicContact CD1-CD2 4.02Å; L132-W259 HydrophobicContact CD1-CE3 3.72Å; L132-W259 HydrophobicContact CD1-CG 4.33Å; L132-W259 HydrophobicContact CD1-CZ3 4.24Å; D133-W259 VanDerWaalsContact OD1-CE2 3.28Å; D133-W259 WeakPolarHBondContact OD1-CZ2 3.42Å; D133-W259 PolarHBondContact OD1-NE1 3.44Å; L205-W259 HydrophobicContact CD2-CB 4.24Å; L205-W259 VanDerWaalsContact CD2-O 3.3Å; L205-W259 WeakPolarHBondContact CD2-O 3.33Å; L208-W259 HydrophobicContact CD1-CB 4.39Å; L208-W259 HydrophobicContact CD1-CE3 4.13Å; L208-W259 HydrophobicContact CD2-CE3 3.96Å; L208-W259 HydrophobicContact CD2-CZ3 4.02Å; L251-W259 HydrophobicContact CD1-CH2 3.75Å; L251-W259 HydrophobicContact CD1-CZ2 4.46Å; L251-W259 HydrophobicContact CD1-CZ3 4.47Å; L251-W259 HydrophobicContact CD2-CH2 3.72Å; L251-W259 HydrophobicContact CD2-CZ3 3.63Å; L251-W259 HydrophobicContact CG-CH2 4.27Å; A255-W259 HydrophobicContact CB-CZ2 4.35Å; A255-W259 VanDerWaalsContact O-CG 3.26Å; A255-W259 PolarHBondContact O-N 2.72Å; M256-W259 HydrophobicContact CB-CE3 4.35Å; M256-W259 HydrophobicContact CG-CE3 4.05Å; M256-W259 HydrophobicContact CG-CZ3 3.95Å; M256-W259 PolarHBondContact O-N 2.97Å; W259-G263 VanDerWaalsContact O-CA 3.22Å; W259-G263 WeakPolarHBondContact O-CA 3.46Å; W259-G263 PolarHBondContact O-N 2.96Å |
| 260 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.3 | -48.9 | -179.1 | -68.6 | 164.1 | 0 | 0 | 0 | 111 | L208 Y212 M256 E257 F264 L280 A284 | L208-I260 HydrophobicContact CD1-CD1 4.26Å; L208-I260 HydrophobicContact CD1-CG1 3.73Å; Y212-I260 HydrophobicContact CD1-CD1 3.5Å; Y212-I260 HydrophobicContact CD2-CD1 3.7Å; Y212-I260 HydrophobicContact CE1-CD1 3.89Å; Y212-I260 HydrophobicContact CE2-CD1 4.07Å; Y212-I260 HydrophobicContact CG-CD1 3.39Å; M256-I260 VanDerWaalsContact O-CG1 3.29Å; M256-I260 WeakPolarHBondContact O-CG1 3.36Å; M256-I260 PolarHBondContact O-N 3.02Å; E257-I260 PolarHBondContact O-N 3.15Å; I260-F264 HydrophobicContact CG2-CD2 3.89Å; I260-F264 HydrophobicContact CG2-CE2 4.04Å; I260-F264 VanDerWaalsContact O-CD2 3.3Å; I260-F264 WeakPolarHBondContact O-CD2 3.39Å; I260-F264 PolarHBondContact O-N 3.45Å; I260-L280 HydrophobicContact CD1-CD1 3.94Å; I260-L280 HydrophobicContact CD1-CD2 4.24Å; I260-L280 HydrophobicContact CD1-CG 3.91Å; I260-L280 HydrophobicContact CG1-CD2 4.27Å; I260-L280 HydrophobicContact CG1-CG 4.21Å; I260-L280 HydrophobicContact CG2-CG 4.16Å; I260-A284 HydrophobicContact CB-CB 4.23Å; I260-A284 HydrophobicContact CG2-CB 3.66Å |
| 261 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.2 | -52.3 | -174.7 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | E257 I265 W281 A284 L285 L291 I301 | E257-V261 HydrophobicContact CG-CG2 4.44Å; E257-V261 WeakPolarHBondContact O-CB 3.42Å; E257-V261 VanDerWaalsContact O-CG2 3.28Å; E257-V261 WeakPolarHBondContact O-CG2 3.28Å; E257-V261 PolarHBondContact O-N 3.45Å; V261-I265 HydrophobicContact CG1-CD1 4.42Å; V261-I265 WeakPolarHBondContact O-CD1 3.48Å; V261-I265 VanDerWaalsContact O-CG1 3.27Å; V261-I265 WeakPolarHBondContact O-CG1 3.31Å; V261-W281 PolarHBondContact O-NE1 3.13Å; V261-A284 HydrophobicContact CG2-CB 3.81Å; V261-L285 HydrophobicContact CG2-CD2 4.38Å; V261-L291 HydrophobicContact CB-CD1 3.78Å; V261-L291 HydrophobicContact CG1-CD1 3.74Å; V261-L291 HydrophobicContact CG2-CD1 4.1Å; V261-I301 HydrophobicContact CG1-CG2 3.62Å |
| 262 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.7 | -42.5 | -179.3 | -70 | -59.1 | 0 | 0 | 0 | 111.9 | V136 T139 T140 I143 L187 K258 F264 I265 L266 L291 L293 F299 | V136-F262 HydrophobicContact CG1-CD2 4.31Å; V136-F262 HydrophobicContact CG2-CB 4.37Å; T139-F262 HydrophobicContact CG2-CB 4.35Å; T139-F262 HydrophobicContact CG2-CD1 4.02Å; T139-F262 HydrophobicContact CG2-CG 4.22Å; T140-F262 HydrophobicContact CG2-CD2 4.46Å; T140-F262 HydrophobicContact CG2-CE2 3.96Å; T140-F262 HydrophobicContact CG2-CZ 4.45Å; I143-F262 HydrophobicContact CD1-CD1 4.49Å; I143-F262 HydrophobicContact CD1-CE1 3.81Å; I143-F262 HydrophobicContact CD1-CZ 4.26Å; L187-F262 HydrophobicContact CD2-CD1 4.37Å; K258-F262 HydrophobicContact CB-CD2 4.41Å; K258-F262 WeakPolarHBondContact O-CB 3.43Å; K258-F262 WeakPolarHBondContact O-CD2 3.47Å; K258-F262 PolarHBondContact O-N 3.47Å; F262-F264 PolarHBondContact O-N 3.05Å; F262-I265 WeakPolarHBondContact O-CB 3.42Å; F262-I265 PolarHBondContact O-N 2.96Å; F262-I265 VanDerWaalsContact O-N 3.08Å; F262-L266 WeakPolarHBondContact O-CG 3.38Å; F262-L266 PolarHBondContact O-N 2.85Å; F262-L291 HydrophobicContact CE2-CD1 4.1Å; F262-L291 HydrophobicContact CZ-CD1 4.43Å; F262-L293 HydrophobicContact CZ-CD2 3.95Å; F262-F299 AromaticContact CE1-CD1 3.79Å; F262-F299 HydrophobicContact CE1-CD1 3.79Å; F262-F299 HydrophobicContact CE1-CD2 4.45Å; F262-F299 AromaticContact CE1-CE1 3.67Å; F262-F299 HydrophobicContact CE1-CE1 3.67Å; F262-F299 HydrophobicContact CE1-CE2 4.34Å; F262-F299 HydrophobicContact CE1-CG 4.18Å; F262-F299 AromaticContact CE1-CZ 3.95Å; F262-F299 HydrophobicContact CE1-CZ 3.95Å; F262-F299 HydrophobicContact CZ-CB 4.32Å; F262-F299 AromaticContact CZ-CD1 3.74Å; F262-F299 HydrophobicContact CZ-CD1 3.74Å; F262-F299 HydrophobicContact CZ-CE1 4.11Å; F262-F299 AromaticContact CZ-CG 3.96Å; F262-F299 HydrophobicContact CZ-CG 3.96Å |
| 263 | G | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L205 W259 I265 L266 C267 | L205-G263 VanDerWaalsContact CD1-C 3.43Å; W259-G263 VanDerWaalsContact O-CA 3.22Å; W259-G263 WeakPolarHBondContact O-CA 3.46Å; W259-G263 PolarHBondContact O-N 2.96Å; G263-I265 VanDerWaalsContact C-N 3.31Å; G263-I265 PolarHBondContact O-N 3.3Å; G263-L266 WeakPolarHBondContact O-CB 3.17Å; G263-L266 PolarHBondContact O-N 3Å; G263-L266 VanDerWaalsContact O-N 3.12Å; G263-C267 PolarHBondContact O-N 3.29Å; G263-C267 PolarHBondContact O-SG 3.35Å |
| 264 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.9 | -17.9 | 177.4 | -72.2 | -54.2 | 0 | 0 | 0 | 114.3 | L205 I206 I260 F262 C267 H268 L271 A277 L280 W281 | L205-F264 HydrophobicContact CB-CE1 3.78Å; L205-F264 HydrophobicContact CB-CE2 4.06Å; L205-F264 HydrophobicContact CB-CZ 3.52Å; L205-F264 HydrophobicContact CD1-CD1 3.85Å; L205-F264 HydrophobicContact CD1-CD2 4.45Å; L205-F264 HydrophobicContact CD1-CE1 3.91Å; L205-F264 HydrophobicContact CD1-CG 4.12Å; L205-F264 HydrophobicContact CD1-CZ 4.27Å; I206-F264 HydrophobicContact CG1-CZ 4.45Å; I260-F264 HydrophobicContact CG2-CD2 3.89Å; I260-F264 HydrophobicContact CG2-CE2 4.04Å; I260-F264 VanDerWaalsContact O-CD2 3.3Å; I260-F264 WeakPolarHBondContact O-CD2 3.39Å; I260-F264 PolarHBondContact O-N 3.45Å; F262-F264 PolarHBondContact O-N 3.05Å; F264-C267 CarbonylContact O-C 3.58Å; F264-H268 WeakPolarHBondContact O-CA 3.2Å; F264-H268 PolarHBondContact O-N 3.12Å; F264-L271 HydrophobicContact CB-CD1 4.41Å; F264-L271 HydrophobicContact CB-CD2 3.92Å; F264-L271 HydrophobicContact CB-CG 4.25Å; F264-L271 HydrophobicContact CG-CD2 4.2Å; F264-A277 HydrophobicContact CD1-CB 4.08Å; F264-A277 HydrophobicContact CE1-CB 3.46Å; F264-A277 VanDerWaalsContact CE1-CB 3.46Å; F264-A277 HydrophobicContact CZ-CB 3.76Å; F264-L280 HydrophobicContact CE2-CB 4.25Å; F264-L280 HydrophobicContact CE2-CD2 4.03Å; F264-L280 HydrophobicContact CE2-CG 4.29Å; F264-L280 HydrophobicContact CZ-CD2 4.36Å; F264-W281 HydrophobicContact CB-CB 4.4Å; F264-W281 HydrophobicContact CB-CG 4.11Å; F264-W281 HydrophobicContact CD2-CB 3.88Å; F264-W281 HydrophobicContact CD2-CG 4.34Å; F264-W281 HydrophobicContact CG-CB 4.43Å |
| 265 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.7 | -43.6 | 166.2 | -71.1 | 168.9 | 0 | 0 | 0 | 109.4 | M191 V261 F262 G263 H268 W281 A305 L308 F309 | M191-I265 HydrophobicContact CG-CG2 4.09Å; M191-I265 WeakPolarHBondContact CG-O 3.46Å; M191-I265 HydrophobicContact SD-CG2 3.9Å; V261-I265 HydrophobicContact CG1-CD1 4.42Å; V261-I265 WeakPolarHBondContact O-CD1 3.48Å; V261-I265 VanDerWaalsContact O-CG1 3.27Å; V261-I265 WeakPolarHBondContact O-CG1 3.31Å; F262-I265 WeakPolarHBondContact O-CB 3.42Å; F262-I265 PolarHBondContact O-N 2.96Å; F262-I265 VanDerWaalsContact O-N 3.08Å; G263-I265 VanDerWaalsContact C-N 3.31Å; G263-I265 PolarHBondContact O-N 3.3Å; I265-H268 WeakPolarHBondContact O-CB 3.43Å; I265-H268 PolarHBondContact O-N 3Å; I265-W281 HydrophobicContact CG1-CZ2 4.09Å; I265-A305 HydrophobicContact CD1-CB 4.41Å; I265-L308 HydrophobicContact CG2-CD1 4.23Å; I265-F309 HydrophobicContact CG1-CE2 4.36Å |
| 266 | L | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 179.8 | -63.4 | 173.3 | 0 | 0 | 0 | 112.4 | V135 T139 M190 F194 L201 F262 G263 H268 | V135-L266 HydrophobicContact CG1-CD1 3.54Å; T139-L266 WeakPolarHBondContact OG1-CD1 3.45Å; M190-L266 HydrophobicContact CB-CD2 3.56Å; M190-L266 HydrophobicContact CE-CD2 4.36Å; F194-L266 HydrophobicContact CB-CB 4Å; F194-L266 HydrophobicContact CD1-CB 4.09Å; F194-L266 HydrophobicContact CD1-CD1 4.05Å; F194-L266 HydrophobicContact CD2-CD1 4.47Å; F194-L266 HydrophobicContact CD2-CD2 4.14Å; F194-L266 HydrophobicContact CE1-CD1 3.96Å; F194-L266 HydrophobicContact CE2-CD1 4.38Å; F194-L266 HydrophobicContact CG-CB 4Å; F194-L266 HydrophobicContact CG-CD1 4.3Å; F194-L266 HydrophobicContact CG-CD2 4.3Å; F194-L266 HydrophobicContact CG-CG 4.43Å; F194-L266 HydrophobicContact CZ-CD1 4.12Å; L201-L266 HydrophobicContact CD2-CB 3.93Å; L201-L266 HydrophobicContact CD2-CD1 4.41Å; F262-L266 WeakPolarHBondContact O-CG 3.38Å; F262-L266 PolarHBondContact O-N 2.85Å; G263-L266 WeakPolarHBondContact O-CB 3.17Å; G263-L266 PolarHBondContact O-N 3Å; G263-L266 VanDerWaalsContact O-N 3.12Å; L266-H268 PolarHBondContact O-N 3.1Å |
| 267 | C | 97.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 43.6 | 174.8 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | L201 G263 F264 A269 A270 | L201-C267 HydrophobicContact CD2-CB 4.19Å; L201-C267 HydrophobicContact CG-CB 4.48Å; G263-C267 PolarHBondContact O-N 3.29Å; G263-C267 PolarHBondContact O-SG 3.35Å; F264-C267 CarbonylContact O-C 3.58Å; C267-A269 PolarHBondContact O-N 3.09Å; C267-A270 WeakPolarHBondContact O-CB 3.5Å; C267-A270 PolarHBondContact O-N 3.48Å |
| 268 | H | 96.4 | Very high | 96.8 | Very high | 32 Ų | 32 | 24.8 Ų | 24.8 | 15% | 0.148 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -23.1 | -170.8 | 62.1 | 83.4 | 0 | 0 | 0 | 116.4 | M191 F264 I265 L266 A270 L271 F309 Y315 | M191-H268 HydrophobicContact CE-CB 4.06Å; M191-H268 WeakPolarHBondContact CE-CD2 3.4Å; F264-H268 WeakPolarHBondContact O-CA 3.2Å; F264-H268 PolarHBondContact O-N 3.12Å; I265-H268 WeakPolarHBondContact O-CB 3.43Å; I265-H268 PolarHBondContact O-N 3Å; L266-H268 PolarHBondContact O-N 3.1Å; H268-A270 PolarHBondContact O-N 3Å; H268-L271 WeakPolarHBondContact O-CB 3.39Å; H268-L271 PolarHBondContact O-N 3.13Å; H268-L271 VanDerWaalsContact O-N 3.15Å; H268-F309 HydrophobicContact CB-CE1 3.85Å; H268-F309 HydrophobicContact CB-CZ 3.91Å; H268-Y315 HydrophobicContact CB-CE1 4.21Å; H268-Y315 AromaticContact CE1-CZ 3.99Å; H268-Y315 AromaticContact ND1-CE1 3.72Å; H268-Y315 AromaticContact ND1-CE2 3.87Å; H268-Y315 AromaticContact ND1-CZ 3.19Å; H268-Y315 PolarHBondContact ND1-OH 3.3Å; H268-Y315 WeakPolarHBondContact O-CE1 3.37Å |
| 269 | A | 95.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 26 Ų | 26 | 49% | 0.488 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -36.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | C267 L271 N272 S273 Y315 | C267-A269 PolarHBondContact O-N 3.09Å; A269-L271 PolarHBondContact O-N 2.89Å; A269-N272 PolarHBondContact O-N 3.4Å; A269-N272 VanDerWaalsContact O-N 3.09Å; A269-S273 PolarHBondContact O-N 3.12Å; A269-S273 PolarHBondContact O-OG 2.89Å; A269-Y315 WeakPolarHBondContact CA-OH 3.41Å |
| 270 | A | 95.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 25.9 Ų | 25.9 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -31.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C267 H268 N272 S273 D274 A277 | C267-A270 WeakPolarHBondContact O-CB 3.5Å; C267-A270 PolarHBondContact O-N 3.48Å; H268-A270 PolarHBondContact O-N 3Å; A270-N272 PolarHBondContact O-N 3.16Å; A270-S273 WeakPolarHBondContact CA-OG 3.19Å; A270-S273 PolarHBondContact O-N 3.13Å; A270-D274 WeakPolarHBondContact O-CB 3.41Å; A270-D274 PolarHBondContact O-N 2.62Å; A270-A277 HydrophobicContact CB-CB 4.31Å |
| 271 | L | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -19.2 | 178.7 | -64.3 | 174.4 | 0 | 0 | 0 | 113.6 | F264 H268 A269 L278 W281 F309 R318 | F264-L271 HydrophobicContact CB-CD1 4.41Å; F264-L271 HydrophobicContact CB-CD2 3.92Å; F264-L271 HydrophobicContact CB-CG 4.25Å; F264-L271 HydrophobicContact CG-CD2 4.2Å; H268-L271 WeakPolarHBondContact O-CB 3.39Å; H268-L271 PolarHBondContact O-N 3.13Å; H268-L271 VanDerWaalsContact O-N 3.15Å; A269-L271 PolarHBondContact O-N 2.89Å; L271-L278 HydrophobicContact CD2-CD1 4.37Å; L271-W281 HydrophobicContact CD1-CD2 4.07Å; L271-W281 HydrophobicContact CD1-CE3 3.95Å; L271-W281 HydrophobicContact CD1-CH2 4.27Å; L271-W281 HydrophobicContact CD1-CZ2 4.41Å; L271-W281 HydrophobicContact CD1-CZ3 4.05Å; L271-W281 HydrophobicContact CD2-CB 3.76Å; L271-W281 HydrophobicContact CD2-CD2 3.97Å; L271-W281 HydrophobicContact CD2-CE3 3.95Å; L271-W281 HydrophobicContact CD2-CG 3.94Å; L271-F309 HydrophobicContact CD1-CZ 4.03Å; L271-R318 VanDerWaalsContact O-CZ 3.31Å; L271-R318 PolarHBondContact O-NE 3.18Å; L271-R318 VanDerWaalsContact O-NE 3.14Å; L271-R318 PolarHBondContact O-NH2 2.83Å |
| 272 | N | 94.4 | Very high | 96.7 | Very high | 70 Ų | 70 | 27.7 Ų | 27.7 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -99.8 | -29.9 | 175.9 | -76.5 | -20.4 | 0 | 0 | 0 | 112.8 | A269 A270 G314 Y315 R318 | A269-N272 PolarHBondContact O-N 3.4Å; A269-N272 VanDerWaalsContact O-N 3.09Å; A270-N272 PolarHBondContact O-N 3.16Å; N272-G314 PolarHBondContact ND2-O 3.11Å; N272-Y315 WeakPolarHBondContact ND2-CE1 3.31Å; N272-R318 PolarHBondContact OD1-NE 2.92Å; N272-R318 PolarHBondContact OD1-NH2 2.8Å |
| 273 | S | 93.7 | Very high | 96.7 | Very high | 104 Ų | 104 | 30 Ų | 30 | 73% | 0.727 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -93.8 | -23.9 | -176.8 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | A269 A270 | A269-S273 PolarHBondContact O-N 3.12Å; A269-S273 PolarHBondContact O-OG 2.89Å; A270-S273 WeakPolarHBondContact CA-OG 3.19Å; A270-S273 PolarHBondContact O-N 3.13Å |
| 274 | D | 94.7 | Very high | 96.7 | Very high | 55 Ų | 55 | 30 Ų | 30 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | trans | -125.9 | 120.1 | -174.9 | -169.1 | -22 | 0 | 0 | 0 | 111.7 | I206 A270 A276 A277 L278 | I206-D274 WeakPolarHBondContact CD1-OD2 3.31Å; A270-D274 WeakPolarHBondContact O-CB 3.41Å; A270-D274 PolarHBondContact O-N 2.62Å; D274-A276 WeakPolarHBondContact OD1-CB 3.45Å; D274-A276 PolarHBondContact OD1-N 3.17Å; D274-A277 HydrophobicContact CB-CB 3.99Å; D274-L278 PolarHBondContact O-N 2.99Å | ||
| 275 | A | 94.9 | Very high | 96.7 | Very high | 81 Ų | 81 | 30 Ų | 30 | 67% | 0.669 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -69.9 | -32.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L278 S279 | A275-L278 PolarHBondContact O-N 2.9Å; A275-S279 WeakPolarHBondContact O-CB 3.46Å; A275-S279 PolarHBondContact O-N 3.28Å; A275-S279 PolarHBondContact O-OG 3.01Å |
| 276 | A | 94.7 | Very high | 96.7 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 28% | 0.281 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.1 | -48.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110 | D274 L278 S279 L280 | D274-A276 WeakPolarHBondContact OD1-CB 3.45Å; D274-A276 PolarHBondContact OD1-N 3.17Å; A276-L278 PolarHBondContact O-N 3.49Å; A276-S279 PolarHBondContact O-N 3.36Å; A276-S279 PolarHBondContact O-OG 3.05Å; A276-L280 WeakPolarHBondContact O-CB 3.32Å; A276-L280 PolarHBondContact O-N 3.49Å |
| 277 | A | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.4 | -47.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I206 F264 A270 D274 L280 W281 | I206-A277 HydrophobicContact CG1-CB 4.44Å; F264-A277 HydrophobicContact CD1-CB 4.08Å; F264-A277 HydrophobicContact CE1-CB 3.46Å; F264-A277 VanDerWaalsContact CE1-CB 3.46Å; F264-A277 HydrophobicContact CZ-CB 3.76Å; A270-A277 HydrophobicContact CB-CB 4.31Å; D274-A277 HydrophobicContact CB-CB 3.99Å; A277-L280 PolarHBondContact O-N 3.16Å; A277-W281 WeakPolarHBondContact O-CB 3.26Å; A277-W281 PolarHBondContact O-N 3.33Å |
| 278 | L | 97.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 32.7 Ų | 32.7 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 177.3 | 178.8 | 67.5 | 0 | 0 | 0 | 112.3 | L271 D274 A275 A276 L280 W281 K282 | L271-L278 HydrophobicContact CD2-CD1 4.37Å; D274-L278 PolarHBondContact O-N 2.99Å; A275-L278 PolarHBondContact O-N 2.9Å; A276-L278 PolarHBondContact O-N 3.49Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 3Å; L278-W281 HydrophobicContact CD1-CE3 4.43Å; L278-W281 PolarHBondContact O-N 3.18Å; L278-K282 HydrophobicContact CD1-CD 4.39Å; L278-K282 HydrophobicContact CD1-CG 4.28Å; L278-K282 HydrophobicContact CG-CD 4.31Å; L278-K282 HydrophobicContact CG-CG 4.47Å; L278-K282 WeakPolarHBondContact O-CG 3.46Å; L278-K282 PolarHBondContact O-N 3.45Å |
| 279 | S | 97.4 | Very high | 96.6 | Very high | 57 Ų | 57 | 31.8 Ų | 31.8 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | -178.4 | 72 | 0 | 0 | 0 | 0 | 111.9 | A275 A276 K282 L283 | A275-S279 WeakPolarHBondContact O-CB 3.46Å; A275-S279 PolarHBondContact O-N 3.28Å; A275-S279 PolarHBondContact O-OG 3.01Å; A276-S279 PolarHBondContact O-N 3.36Å; A276-S279 PolarHBondContact O-OG 3.05Å; S279-K282 PolarHBondContact O-N 2.8Å; S279-L283 PolarHBondContact O-N 3.05Å |
| 280 | L | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 178.9 | -171.3 | 60.2 | 0 | 0 | 0 | 111.2 | L205 L208 Y212 P213 I260 F264 A276 A277 L278 L283 A284 | L205-L280 WeakPolarHBondContact O-CD2 3.46Å; L208-L280 HydrophobicContact CB-CD2 4.16Å; Y212-L280 HydrophobicContact CD1-CD1 3.7Å; Y212-L280 HydrophobicContact CG-CD1 4.33Å; P213-L280 HydrophobicContact CG-CD1 4.08Å; I260-L280 HydrophobicContact CD1-CD1 3.94Å; I260-L280 HydrophobicContact CD1-CD2 4.24Å; I260-L280 HydrophobicContact CD1-CG 3.91Å; I260-L280 HydrophobicContact CG1-CD2 4.27Å; I260-L280 HydrophobicContact CG1-CG 4.21Å; I260-L280 HydrophobicContact CG2-CG 4.16Å; F264-L280 HydrophobicContact CE2-CB 4.25Å; F264-L280 HydrophobicContact CE2-CD2 4.03Å; F264-L280 HydrophobicContact CE2-CG 4.29Å; F264-L280 HydrophobicContact CZ-CD2 4.36Å; A276-L280 WeakPolarHBondContact O-CB 3.32Å; A276-L280 PolarHBondContact O-N 3.49Å; A277-L280 PolarHBondContact O-N 3.16Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 3Å; L280-L283 PolarHBondContact O-N 3.32Å; L280-A284 PolarHBondContact O-N 3.34Å |
| 281 | W | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 175 | -169.6 | 63.6 | 0 | 0 | 0 | 112.1 | V261 F264 I265 L271 A277 L278 L283 A284 L285 F309 I322 | V261-W281 PolarHBondContact O-NE1 3.13Å; F264-W281 HydrophobicContact CB-CB 4.4Å; F264-W281 HydrophobicContact CB-CG 4.11Å; F264-W281 HydrophobicContact CD2-CB 3.88Å; F264-W281 HydrophobicContact CD2-CG 4.34Å; F264-W281 HydrophobicContact CG-CB 4.43Å; I265-W281 HydrophobicContact CG1-CZ2 4.09Å; L271-W281 HydrophobicContact CD1-CD2 4.07Å; L271-W281 HydrophobicContact CD1-CE3 3.95Å; L271-W281 HydrophobicContact CD1-CH2 4.27Å; L271-W281 HydrophobicContact CD1-CZ2 4.41Å; L271-W281 HydrophobicContact CD1-CZ3 4.05Å; L271-W281 HydrophobicContact CD2-CB 3.76Å; L271-W281 HydrophobicContact CD2-CD2 3.97Å; L271-W281 HydrophobicContact CD2-CE3 3.95Å; L271-W281 HydrophobicContact CD2-CG 3.94Å; A277-W281 WeakPolarHBondContact O-CB 3.26Å; A277-W281 PolarHBondContact O-N 3.33Å; L278-W281 HydrophobicContact CD1-CE3 4.43Å; L278-W281 PolarHBondContact O-N 3.18Å; W281-L283 VanDerWaalsContact C-N 3.33Å; W281-L283 PolarHBondContact O-N 2.67Å; W281-A284 PolarHBondContact O-N 3.43Å; W281-L285 HydrophobicContact CD2-CD1 3.79Å; W281-L285 HydrophobicContact CD2-CG 4.24Å; W281-L285 HydrophobicContact CE3-CD1 3.72Å; W281-L285 HydrophobicContact CH2-CD1 3.79Å; W281-L285 HydrophobicContact CZ2-CD1 3.84Å; W281-L285 HydrophobicContact CZ2-CD2 4.45Å; W281-L285 HydrophobicContact CZ3-CD1 3.72Å; W281-L285 WeakPolarHBondContact O-CG 3.4Å; W281-L285 PolarHBondContact O-N 3.11Å; W281-F309 HydrophobicContact CH2-CD2 4.47Å; W281-F309 AromaticContact CH2-CE2 3.89Å; W281-F309 HydrophobicContact CH2-CE2 3.89Å; W281-F309 HydrophobicContact CH2-CZ 4.5Å; W281-F309 HydrophobicContact CZ2-CE2 4.11Å; W281-I322 HydrophobicContact CH2-CD1 3.89Å; W281-I322 HydrophobicContact CH2-CG1 3.64Å; W281-I322 HydrophobicContact CZ3-CG1 4.08Å |
| 282 | K | 98.4 | Very high | 96.9 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 176 | -73.5 | -172.8 | 70.1 | 159.4 | 0 | 111.9 | L278 S279 A284 L285 Q286 D321 E324 | L278-K282 HydrophobicContact CD1-CD 4.39Å; L278-K282 HydrophobicContact CD1-CG 4.28Å; L278-K282 HydrophobicContact CG-CD 4.31Å; L278-K282 HydrophobicContact CG-CG 4.47Å; L278-K282 WeakPolarHBondContact O-CG 3.46Å; L278-K282 PolarHBondContact O-N 3.45Å; S279-K282 PolarHBondContact O-N 2.8Å; K282-A284 VanDerWaalsContact C-N 3.32Å; K282-A284 PolarHBondContact O-N 3.4Å; K282-L285 PolarHBondContact O-N 3.48Å; K282-L285 VanDerWaalsContact O-N 3.17Å; K282-Q286 VanDerWaalsContact O-CG 3.23Å; K282-Q286 WeakPolarHBondContact O-CG 3.45Å; K282-Q286 PolarHBondContact O-N 3.13Å; K282-D321 HydrophobicContact CD-CB 4.16Å; K282-D321 HydrophobicContact CG-CB 4.42Å; K282-D321 IonicContact NZ-OD1 2.81Å; K282-D321 PolarHBondContact NZ-OD1 3.13Å; K282-E324 IonicContact NZ-OE2 2.75Å; K282-E324 PolarHBondContact NZ-OE2 3.32Å |
| 283 | L | 98.3 | Very high | 97 | Very high | 50 Ų | 50 | 26.1 Ų | 26.1 | 26% | 0.262 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 177.9 | -179.3 | 61.8 | 0 | 0 | 0 | 111.9 | Y212 P213 S279 L280 W281 Q286 S287 | Y212-L283 HydrophobicContact CD1-CD2 4.02Å; Y212-L283 HydrophobicContact CE1-CD2 4.01Å; Y212-L283 HydrophobicContact CE1-CG 4.01Å; P213-L283 HydrophobicContact CB-CD2 4.11Å; P213-L283 HydrophobicContact CG-CD2 4.25Å; S279-L283 PolarHBondContact O-N 3.05Å; L280-L283 PolarHBondContact O-N 3.32Å; W281-L283 VanDerWaalsContact C-N 3.33Å; W281-L283 PolarHBondContact O-N 2.67Å; L283-Q286 PolarHBondContact O-N 3.05Å; L283-S287 PolarHBondContact O-N 2.89Å; L283-S287 PolarHBondContact O-OG 2.78Å |
| 284 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y212 E257 I260 V261 L280 W281 K282 Q286 S287 | Y212-A284 HydrophobicContact CE1-CB 4.17Å; Y212-A284 WeakPolarHBondContact OH-CA 3.24Å; E257-A284 HydrophobicContact CG-CB 4.21Å; I260-A284 HydrophobicContact CB-CB 4.23Å; I260-A284 HydrophobicContact CG2-CB 3.66Å; V261-A284 HydrophobicContact CG2-CB 3.81Å; L280-A284 PolarHBondContact O-N 3.34Å; W281-A284 PolarHBondContact O-N 3.43Å; K282-A284 VanDerWaalsContact C-N 3.32Å; K282-A284 PolarHBondContact O-N 3.4Å; A284-Q286 PolarHBondContact O-N 2.89Å; A284-S287 PolarHBondContact O-N 2.92Å |
| 285 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -24.2 | 176.5 | -67 | -176.6 | 0 | 0 | 0 | 113.9 | V261 W281 K282 I301 H302 I322 C325 | V261-L285 HydrophobicContact CG2-CD2 4.38Å; W281-L285 HydrophobicContact CD2-CD1 3.79Å; W281-L285 HydrophobicContact CD2-CG 4.24Å; W281-L285 HydrophobicContact CE3-CD1 3.72Å; W281-L285 HydrophobicContact CH2-CD1 3.79Å; W281-L285 HydrophobicContact CZ2-CD1 3.84Å; W281-L285 HydrophobicContact CZ2-CD2 4.45Å; W281-L285 HydrophobicContact CZ3-CD1 3.72Å; W281-L285 WeakPolarHBondContact O-CG 3.4Å; W281-L285 PolarHBondContact O-N 3.11Å; K282-L285 PolarHBondContact O-N 3.48Å; K282-L285 VanDerWaalsContact O-N 3.17Å; L285-I301 HydrophobicContact CD2-CG2 3.31Å; L285-H302 PolarHBondContact O-CE1 3.36Å; L285-H302 PolarHBondContact O-NE2 3.43Å; L285-I322 HydrophobicContact CD1-CG1 4.31Å; L285-C325 HydrophobicContact CB-CB 3.57Å; L285-C325 HydrophobicContact CD1-CB 4.41Å |
| 286 | Q | 97.9 | Very high | 97.5 | Very high | 57 Ų | 57 | 18.8 Ų | 18.8 | 27% | 0.266 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -82.1 | -17.6 | 176.5 | -69.8 | 164.7 | -5 | 0 | 0 | 112.9 | K282 L283 A284 C325 Q328 A329 | K282-Q286 VanDerWaalsContact O-CG 3.23Å; K282-Q286 WeakPolarHBondContact O-CG 3.45Å; K282-Q286 PolarHBondContact O-N 3.13Å; L283-Q286 PolarHBondContact O-N 3.05Å; A284-Q286 PolarHBondContact O-N 2.89Å; Q286-C325 HydrophobicContact CG-CB 3.98Å; Q286-Q328 HydrophobicContact CG-CB 4.25Å; Q286-A329 WeakPolarHBondContact O-CA 3.26Å; Q286-A329 WeakPolarHBondContact O-CB 3.33Å |
| 287 | S | 97 | Very high | 97.7 | Very high | 8 Ų | 8 | 18 Ų | 18 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -89.9 | -31.4 | -169.7 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | N216 E257 L283 A284 A333 H337 W382 | N216-S287 PolarHBondContact ND2-OG 3.12Å; E257-S287 VanDerWaalsContact OE1-CB 3.32Å; E257-S287 WeakPolarHBondContact OE1-CB 3.48Å; L283-S287 PolarHBondContact O-N 2.89Å; L283-S287 PolarHBondContact O-OG 2.78Å; A284-S287 PolarHBondContact O-N 2.92Å; S287-A333 WeakPolarHBondContact O-CB 3.49Å; S287-H337 PolarHBondContact O-NE2 3.1Å; S287-W382 PolarHBondContact O-NE1 2.94Å |
| 288 | S | 97.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -135.7 | 157 | 179.6 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | E257 I301 H302 W382 R385 | E257-S288 WeakPolarHBondContact OE1-CB 3.42Å; E257-S288 PolarHBondContact OE1-N 3.38Å; E257-S288 PolarHBondContact OE1-OG 2.98Å; E257-S288 PolarHBondContact OE2-OG 3.38Å; S288-I301 WeakPolarHBondContact O-CD1 3.2Å; S288-H302 PolarHBondContact O-CE1 3.12Å; S288-H302 VanDerWaalsContact O-CE1 3.24Å; S288-W382 PolarHBondContact OG-NE1 3.27Å; S288-R385 PolarHBondContact OG-NH2 3.34Å | ||
| 289 | T | 96.6 | Very high | 97.8 | Very high | 12 Ų | 12 | 17.6 Ų | 17.6 | 7% | 0.074 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -104.1 | -25.5 | 170.9 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | I301 A329 L330 H386 I390 | T289-I301 PolarHBondContact O-N 3.07Å; T289-A329 HydrophobicContact CG2-CB 3.81Å; T289-L330 HydrophobicContact CG2-CD2 3.85Å; T289-L330 HydrophobicContact CG2-CG 4.09Å; T289-H386 PolarHBondContact N-NE2 3.1Å; T289-H386 VanDerWaalsContact N-NE2 3.13Å; T289-H386 PolarHBondContact OG1-CD2 3.42Å; T289-H386 PolarHBondContact OG1-NE2 2.94Å; T289-I390 WeakPolarHBondContact OG1-CD1 3.3Å; T289-I390 WeakPolarHBondContact OG1-CG1 3.4Å |
| 290 | C | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.8 | 169.5 | 66.1 | 0 | 0 | 0 | 0 | 112.3 | V298 F299 R385 | C290-V298 HydrophobicContact CB-CB 4.21Å; C290-F299 CarbonylContact C-O 3.56Å; C290-F299 WeakPolarHBondContact CA-O 3.27Å; C290-F299 WeakPolarHBondContact CB-O 3.3Å; C290-R385 PolarHBondContact O-NE 3.41Å |
| 291 | L | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 153.7 | 174.3 | -61.3 | 176.1 | 0 | 0 | 0 | 110.8 | E257 K258 V261 F262 L293 V298 F299 I301 | E257-L291 HydrophobicContact CG-CD2 3.89Å; E257-L291 WeakPolarHBondContact OE2-CD2 3.45Å; K258-L291 HydrophobicContact CG-CB 4.35Å; K258-L291 HydrophobicContact CG-CD1 4.23Å; K258-L291 HydrophobicContact CG-CD2 4.46Å; V261-L291 HydrophobicContact CB-CD1 3.78Å; V261-L291 HydrophobicContact CG1-CD1 3.74Å; V261-L291 HydrophobicContact CG2-CD1 4.1Å; F262-L291 HydrophobicContact CE2-CD1 4.1Å; F262-L291 HydrophobicContact CZ-CD1 4.43Å; L291-L293 PolarHBondContact O-N 2.95Å; L291-V298 CarbonylContact O-C 3.43Å; L291-V298 VanDerWaalsContact O-CA 3.23Å; L291-V298 WeakPolarHBondContact O-CA 3.26Å; L291-F299 PolarHBondContact N-O 3.36Å; L291-F299 PolarHBondContact O-N 3.12Å; L291-I301 HydrophobicContact CD1-CD1 4.17Å; L291-I301 HydrophobicContact CD1-CG1 4.14Å; L291-I301 HydrophobicContact CD2-CD1 3.93Å; L291-I301 HydrophobicContact CG-CD1 3.63Å; L291-I301 HydrophobicContact CG-CG1 3.76Å |
| 292 | C | 97.5 | Very high | 97.7 | Very high | 22 Ų | 22 | 19.2 Ų | 19.2 | 15% | 0.149 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 118.6 | 169.6 | 175.8 | 0 | 0 | 0 | 0 | 110 | K258 R295 | K258-C292 WeakPolarHBondContact CD-O 3.34Å; K258-C292 WeakPolarHBondContact CE-O 3.46Å; K258-C292 PolarHBondContact NZ-O 2.87Å; C292-R295 PolarHBondContact SG-N 3.36Å; C292-R295 PolarHBondContact SG-O 3.27Å |
| 293 | L | 97 | Very high | 97.6 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -62 | 165.5 | -65.7 | 174.3 | 0 | 0 | 0 | 108.4 | T140 I143 I144 R147 K258 F262 L291 E297 F299 | T140-L293 HydrophobicContact CG2-CD2 3.79Å; I143-L293 HydrophobicContact CB-CD1 4.42Å; I143-L293 HydrophobicContact CB-CD2 4.28Å; I143-L293 HydrophobicContact CD1-CD2 4.11Å; I143-L293 HydrophobicContact CG2-CD1 3.6Å; I143-L293 HydrophobicContact CG2-CD2 4.02Å; I143-L293 HydrophobicContact CG2-CG 4.5Å; I144-L293 HydrophobicContact CD1-CB 3.93Å; I144-L293 HydrophobicContact CG1-CB 3.96Å; I144-L293 HydrophobicContact CG1-CD1 4Å; R147-L293 VanDerWaalsContact CZ-CD1 3.43Å; K258-L293 PolarHBondContact NZ-O 3.37Å; F262-L293 HydrophobicContact CZ-CD2 3.95Å; L291-L293 PolarHBondContact O-N 2.95Å; L293-E297 HydrophobicContact CB-CB 4.46Å; L293-E297 WeakPolarHBondContact CB-O 3.25Å; L293-E297 PolarHBondContact N-O 2.95Å; L293-F299 HydrophobicContact CD1-CB 4.27Å; L293-F299 HydrophobicContact CD2-CB 3.72Å; L293-F299 HydrophobicContact CD2-CD2 4.42Å; L293-F299 HydrophobicContact CD2-CG 4.3Å; L293-F299 HydrophobicContact CG-CB 3.81Å |
| 294 | F | 98.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 21.4 Ų | 21.4 | 13% | 0.132 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 129.7 | 174.4 | -171.9 | -107.4 | 0 | 0 | 0 | 109.4 | L28 T29 Y32 I144 D296 E297 | L28-F294 HydrophobicContact CB-CD1 4.4Å; L28-F294 HydrophobicContact CB-CD2 3.86Å; L28-F294 HydrophobicContact CB-CE2 4Å; L28-F294 HydrophobicContact CB-CG 4.07Å; L28-F294 HydrophobicContact CB-CZ 4.33Å; L28-F294 HydrophobicContact CD1-CD2 4.03Å; L28-F294 HydrophobicContact CD2-CB 4.39Å; L28-F294 HydrophobicContact CG-CD2 4.46Å; T29-F294 VanDerWaalsContact OG1-CZ 3.31Å; T29-F294 WeakPolarHBondContact OG1-CZ 3.48Å; Y32-F294 AromaticContact CD2-CD1 3.91Å; Y32-F294 HydrophobicContact CD2-CD1 3.91Å; Y32-F294 AromaticContact CG-CD1 3.9Å; Y32-F294 HydrophobicContact CG-CD1 3.9Å; Y32-F294 HydrophobicContact CG-CE1 4.14Å; I144-F294 HydrophobicContact CD1-CB 3.56Å; F294-D296 PolarHBondContact O-N 3.1Å; F294-E297 WeakPolarHBondContact O-CB 3.34Å; F294-E297 PolarHBondContact O-N 3.41Å; F294-E297 VanDerWaalsContact O-N 3.08Å |
| 295 | R | 97.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 21.4 Ų | 21.4 | 6% | 0.057 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -120.9 | -178 | -61.7 | 169.3 | 173.3 | -178.2 | -5.8 | 112.2 | Y32 C292 I539 F542 C577 E585 | Y32-R295 HydrophobicContact CD2-CB 4.36Å; Y32-R295 VanDerWaalsContact CE1-NH1 3.31Å; Y32-R295 HydrophobicContact CE2-CB 3.83Å; Y32-R295 HydrophobicContact CE2-CG 4.47Å; C292-R295 PolarHBondContact SG-N 3.36Å; C292-R295 PolarHBondContact SG-O 3.27Å; R295-I539 HydrophobicContact CB-CD1 4.39Å; R295-I539 WeakPolarHBondContact O-CD1 3.45Å; R295-F542 HydrophobicContact CB-CB 4.35Å; R295-F542 HydrophobicContact CB-CD1 4.47Å; R295-F542 HydrophobicContact CB-CD2 3.82Å; R295-F542 HydrophobicContact CB-CE2 4.29Å; R295-F542 HydrophobicContact CB-CG 3.92Å; R295-F542 HydrophobicContact CG-CD2 3.69Å; R295-F542 HydrophobicContact CG-CE1 4.46Å; R295-F542 HydrophobicContact CG-CE2 3.64Å; R295-F542 HydrophobicContact CG-CG 4.15Å; R295-F542 HydrophobicContact CG-CZ 4.06Å; R295-C577 PolarHBondContact NH2-O 2.93Å; R295-E585 IonicContact CZ-OE1 2.58Å; R295-E585 IonicContact CZ-OE2 2.96Å; R295-E585 IonicContact NH1-OE1 3.3Å; R295-E585 IonicContact NH1-OE2 3.74Å; R295-E585 PolarHBondContact NH1-OE2 2.8Å; R295-E585 IonicContact NH2-OE1 2.69Å; R295-E585 PolarHBondContact NH2-OE1 2.91Å; R295-E585 IonicContact NH2-OE2 3.42Å; R295-E585 PolarHBondContact NH2-OE2 3.1Å |
| 296 | D | 97.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 22.9 Ų | 22.9 | 22% | 0.219 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -3.4 | -179.6 | 72.1 | -36.9 | 0 | 0 | 0 | 113.6 | Y32 K36 F294 V298 F542 Y543 | Y32-D296 WeakPolarHBondContact CE2-OD1 3.18Å; Y32-D296 PolarHBondContact OH-OD1 3.39Å; K36-D296 WeakPolarHBondContact CE-OD1 3.34Å; K36-D296 IonicContact NZ-OD1 2.69Å; K36-D296 PolarHBondContact NZ-OD1 3.32Å; K36-D296 IonicContact NZ-OD2 2.77Å; K36-D296 PolarHBondContact NZ-OD2 3.12Å; F294-D296 PolarHBondContact O-N 3.1Å; D296-V298 PolarHBondContact O-N 2.79Å; D296-F542 HydrophobicContact CB-CB 4.13Å; D296-Y543 WeakPolarHBondContact CA-OH 3.49Å; D296-Y543 HydrophobicContact CB-CD2 4.21Å; D296-Y543 HydrophobicContact CB-CE1 4.29Å; D296-Y543 HydrophobicContact CB-CE2 3.62Å |
| 297 | E | 98 | Very high | 97.1 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 113.4 | 176.2 | -70.1 | -67.5 | 146.7 | 0 | 0 | 111.1 | Y32 K35 K36 R147 L293 F294 | Y32-E297 HydrophobicContact CD2-CG 4.16Å; Y32-E297 HydrophobicContact CE2-CG 4.18Å; K35-E297 HydrophobicContact CD-CG 4.29Å; K35-E297 VanDerWaalsContact CE-CD 3.47Å; K35-E297 WeakPolarHBondContact CE-OE2 3.28Å; K35-E297 IonicContact NZ-OE1 3.11Å; K35-E297 PolarHBondContact NZ-OE1 3.01Å; K35-E297 IonicContact NZ-OE2 2.68Å; K35-E297 PolarHBondContact NZ-OE2 2.82Å; K36-E297 IonicContact NZ-OE1 2.88Å; K36-E297 PolarHBondContact NZ-OE1 3.34Å; R147-E297 IonicContact NH1-OE2 3.07Å; R147-E297 PolarHBondContact NH1-OE2 2.84Å; L293-E297 HydrophobicContact CB-CB 4.46Å; L293-E297 WeakPolarHBondContact CB-O 3.25Å; L293-E297 PolarHBondContact N-O 2.95Å; F294-E297 WeakPolarHBondContact O-CB 3.34Å; F294-E297 PolarHBondContact O-N 3.41Å; F294-E297 VanDerWaalsContact O-N 3.08Å |
| 298 | V | 97.9 | Very high | 97 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 6% | 0.061 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 154.2 | -176.1 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | R147 C290 L291 D296 R385 N389 | R147-V298 PolarHBondContact NH1-O 3.34Å; R147-V298 PolarHBondContact NH2-O 3.3Å; C290-V298 HydrophobicContact CB-CB 4.21Å; L291-V298 CarbonylContact O-C 3.43Å; L291-V298 VanDerWaalsContact O-CA 3.23Å; L291-V298 WeakPolarHBondContact O-CA 3.26Å; D296-V298 PolarHBondContact O-N 2.79Å; V298-R385 HydrophobicContact CG1-CB 4.05Å; V298-N389 HydrophobicContact CG2-CB 4.21Å; V298-N389 VanDerWaalsContact CG2-OD1 3.32Å; V298-N389 WeakPolarHBondContact CG2-OD1 3.43Å |
| 299 | F | 98 | Very high | 96.9 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 4% | 0.044 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118.2 | 173.6 | 178.8 | -98.6 | 0 | 0 | 0 | 110.8 | I143 L187 F262 C290 L291 L293 I301 A304 | I143-F299 HydrophobicContact CD1-CD2 4.42Å; I143-F299 HydrophobicContact CD1-CE2 4.32Å; I143-F299 HydrophobicContact CG2-CD2 4.34Å; L187-F299 HydrophobicContact CD1-CE2 3.86Å; L187-F299 HydrophobicContact CD1-CZ 3.64Å; F262-F299 AromaticContact CE1-CD1 3.79Å; F262-F299 HydrophobicContact CE1-CD1 3.79Å; F262-F299 HydrophobicContact CE1-CD2 4.45Å; F262-F299 AromaticContact CE1-CE1 3.67Å; F262-F299 HydrophobicContact CE1-CE1 3.67Å; F262-F299 HydrophobicContact CE1-CE2 4.34Å; F262-F299 HydrophobicContact CE1-CG 4.18Å; F262-F299 AromaticContact CE1-CZ 3.95Å; F262-F299 HydrophobicContact CE1-CZ 3.95Å; F262-F299 HydrophobicContact CZ-CB 4.32Å; F262-F299 AromaticContact CZ-CD1 3.74Å; F262-F299 HydrophobicContact CZ-CD1 3.74Å; F262-F299 HydrophobicContact CZ-CE1 4.11Å; F262-F299 AromaticContact CZ-CG 3.96Å; F262-F299 HydrophobicContact CZ-CG 3.96Å; C290-F299 CarbonylContact C-O 3.56Å; C290-F299 WeakPolarHBondContact CA-O 3.27Å; C290-F299 WeakPolarHBondContact CB-O 3.3Å; L291-F299 PolarHBondContact N-O 3.36Å; L291-F299 PolarHBondContact O-N 3.12Å; L293-F299 HydrophobicContact CD1-CB 4.27Å; L293-F299 HydrophobicContact CD2-CB 3.72Å; L293-F299 HydrophobicContact CD2-CD2 4.42Å; L293-F299 HydrophobicContact CD2-CG 4.3Å; L293-F299 HydrophobicContact CG-CB 3.81Å; F299-I301 HydrophobicContact CD1-CG1 4.49Å; F299-I301 PolarHBondContact O-N 3.31Å; F299-A304 HydrophobicContact CE1-CB 4.05Å; F299-A304 HydrophobicContact CE2-CB 3.54Å; F299-A304 HydrophobicContact CZ-CB 3.24Å |
| 300 | H | 97.9 | Very high | 96.8 | Very high | 85 Ų | 85 | 27.3 Ų | 27.3 | 39% | 0.394 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 107.1 | 176.9 | -68.2 | -74.7 | 0 | 0 | 0 | 110.7 | A304 | H300-A304 WeakPolarHBondContact O-CB 3.43Å; H300-A304 PolarHBondContact O-N 3.01Å |
| 301 | I | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64 | -60.5 | -161.6 | -51.8 | 167.2 | 0 | 0 | 0 | 111.3 | V261 L285 S288 T289 L291 F299 K303 A304 A305 | V261-I301 HydrophobicContact CG1-CG2 3.62Å; L285-I301 HydrophobicContact CD2-CG2 3.31Å; S288-I301 WeakPolarHBondContact O-CD1 3.2Å; T289-I301 PolarHBondContact O-N 3.07Å; L291-I301 HydrophobicContact CD1-CD1 4.17Å; L291-I301 HydrophobicContact CD1-CG1 4.14Å; L291-I301 HydrophobicContact CD2-CD1 3.93Å; L291-I301 HydrophobicContact CG-CD1 3.63Å; L291-I301 HydrophobicContact CG-CG1 3.76Å; F299-I301 HydrophobicContact CD1-CG1 4.49Å; F299-I301 PolarHBondContact O-N 3.31Å; I301-K303 PolarHBondContact O-N 2.7Å; I301-A304 PolarHBondContact O-N 3.47Å; I301-A305 VanDerWaalsContact O-CB 3.3Å; I301-A305 WeakPolarHBondContact O-CB 3.49Å; I301-A305 PolarHBondContact O-N 3.29Å |
| 302 | H | 97.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | -167.5 | -47.8 | 91.3 | 0 | 0 | 0 | 112.3 | L285 S288 E306 I322 K326 | L285-H302 PolarHBondContact O-CE1 3.36Å; L285-H302 PolarHBondContact O-NE2 3.43Å; S288-H302 PolarHBondContact O-CE1 3.12Å; S288-H302 VanDerWaalsContact O-CE1 3.24Å; H302-E306 WeakPolarHBondContact O-CB 3.34Å; H302-E306 PolarHBondContact O-N 3.11Å; H302-I322 HydrophobicContact CB-CG2 3.81Å; H302-I322 WeakPolarHBondContact O-CG2 3.41Å; H302-K326 HydrophobicContact CB-CB 3.8Å; H302-K326 HydrophobicContact CB-CD 3.83Å; H302-K326 HydrophobicContact CB-CG 3.81Å; H302-K326 VanDerWaalsContact CD2-CA 3.48Å; H302-K326 WeakPolarHBondContact CD2-CA 3.4Å |
| 303 | K | 95.4 | Very high | 95.9 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.2 | -49.4 | -179.4 | 178.3 | 53.4 | 179.3 | 153.9 | 0 | 111 | I301 E306 D307 | I301-K303 PolarHBondContact O-N 2.7Å; K303-E306 PolarHBondContact O-N 3.02Å; K303-D307 WeakPolarHBondContact CE-OD2 3.35Å; K303-D307 VanDerWaalsContact NZ-CG 3.28Å; K303-D307 IonicContact NZ-OD1 3.6Å; K303-D307 PolarHBondContact NZ-OD1 3.25Å; K303-D307 IonicContact NZ-OD2 3.36Å; K303-D307 PolarHBondContact NZ-OD2 3.16Å; K303-D307 VanDerWaalsContact NZ-OD2 3.07Å; K303-D307 VanDerWaalsContact O-CG 3.25Å; K303-D307 PolarHBondContact O-N 3.35Å |
| 304 | A | 95.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | F299 H300 I301 D307 L308 | F299-A304 HydrophobicContact CE1-CB 4.05Å; F299-A304 HydrophobicContact CE2-CB 3.54Å; F299-A304 HydrophobicContact CZ-CB 3.24Å; H300-A304 WeakPolarHBondContact O-CB 3.43Å; H300-A304 PolarHBondContact O-N 3.01Å; I301-A304 PolarHBondContact O-N 3.47Å; A304-D307 PolarHBondContact O-N 3.35Å; A304-L308 WeakPolarHBondContact O-CG 3.28Å; A304-L308 PolarHBondContact O-N 3.5Å; A304-L308 VanDerWaalsContact O-N 3.16Å |
| 305 | A | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I265 I301 D307 L308 F309 I322 | I265-A305 HydrophobicContact CD1-CB 4.41Å; I301-A305 VanDerWaalsContact O-CB 3.3Å; I301-A305 WeakPolarHBondContact O-CB 3.49Å; I301-A305 PolarHBondContact O-N 3.29Å; A305-D307 PolarHBondContact O-N 2.98Å; A305-L308 PolarHBondContact O-N 3.43Å; A305-F309 VanDerWaalsContact O-CD2 3.23Å; A305-F309 WeakPolarHBondContact O-CD2 3.44Å; A305-F309 PolarHBondContact O-N 2.89Å; A305-I322 HydrophobicContact CB-CD1 3.92Å; A305-I322 HydrophobicContact CB-CG1 4.45Å |
| 306 | E | 96.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 177.8 | -178.4 | 173.1 | -174.1 | 0 | 0 | 111.9 | H302 K303 L308 F309 V310 I319 I322 R323 | H302-E306 WeakPolarHBondContact O-CB 3.34Å; H302-E306 PolarHBondContact O-N 3.11Å; K303-E306 PolarHBondContact O-N 3.02Å; E306-L308 VanDerWaalsContact C-N 3.25Å; E306-L308 PolarHBondContact O-N 2.98Å; E306-F309 PolarHBondContact O-N 3.31Å; E306-V310 WeakPolarHBondContact O-CB 3.49Å; E306-V310 PolarHBondContact O-N 3.35Å; E306-I319 HydrophobicContact CG-CG2 4.28Å; E306-I322 HydrophobicContact CB-CG2 4.33Å; E306-R323 IonicContact OE1-CZ 3.72Å; E306-R323 IonicContact OE1-NE 2.69Å; E306-R323 PolarHBondContact OE1-NE 3.45Å; E306-R323 IonicContact OE1-NH2 3.6Å; E306-R323 PolarHBondContact OE1-NH2 2.92Å |
| 307 | D | 94.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.1 | -28.8 | 178.9 | -69.9 | -21.3 | 0 | 0 | 0 | 112.8 | K303 A304 A305 N311 | K303-D307 WeakPolarHBondContact CE-OD2 3.35Å; K303-D307 VanDerWaalsContact NZ-CG 3.28Å; K303-D307 IonicContact NZ-OD1 3.6Å; K303-D307 PolarHBondContact NZ-OD1 3.25Å; K303-D307 IonicContact NZ-OD2 3.36Å; K303-D307 PolarHBondContact NZ-OD2 3.16Å; K303-D307 VanDerWaalsContact NZ-OD2 3.07Å; K303-D307 VanDerWaalsContact O-CG 3.25Å; K303-D307 PolarHBondContact O-N 3.35Å; A304-D307 PolarHBondContact O-N 3.35Å; A305-D307 PolarHBondContact O-N 2.98Å; D307-N311 PolarHBondContact O-ND2 2.87Å |
| 308 | L | 94.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75 | -53.9 | 173 | -68.8 | 165.7 | 0 | 0 | 0 | 111.1 | L187 K188 M191 I265 A304 A305 E306 V310 N311 | L187-L308 HydrophobicContact CB-CD1 3.58Å; L187-L308 HydrophobicContact CB-CD2 4.06Å; L187-L308 HydrophobicContact CB-CG 4.47Å; L187-L308 HydrophobicContact CD1-CD1 3.7Å; L187-L308 HydrophobicContact CG-CD1 4.27Å; K188-L308 HydrophobicContact CB-CD2 4.01Å; M191-L308 HydrophobicContact SD-CB 4.39Å; M191-L308 HydrophobicContact SD-CD1 4.31Å; M191-L308 HydrophobicContact SD-CD2 4.38Å; I265-L308 HydrophobicContact CG2-CD1 4.23Å; A304-L308 WeakPolarHBondContact O-CG 3.28Å; A304-L308 PolarHBondContact O-N 3.5Å; A304-L308 VanDerWaalsContact O-N 3.16Å; A305-L308 PolarHBondContact O-N 3.43Å; E306-L308 VanDerWaalsContact C-N 3.25Å; E306-L308 PolarHBondContact O-N 2.98Å; L308-V310 PolarHBondContact O-N 3.45Å; L308-N311 PolarHBondContact O-N 3.4Å |
| 309 | F | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.9 | -25.4 | -171.9 | -78.2 | -72.8 | 0 | 0 | 0 | 114.1 | M191 I265 H268 L271 W281 A305 E306 N311 I312 Y315 I319 I322 | M191-F309 HydrophobicContact CE-CE1 4.37Å; M191-F309 HydrophobicContact CE-CZ 4.44Å; I265-F309 HydrophobicContact CG1-CE2 4.36Å; H268-F309 HydrophobicContact CB-CE1 3.85Å; H268-F309 HydrophobicContact CB-CZ 3.91Å; L271-F309 HydrophobicContact CD1-CZ 4.03Å; W281-F309 HydrophobicContact CH2-CD2 4.47Å; W281-F309 AromaticContact CH2-CE2 3.89Å; W281-F309 HydrophobicContact CH2-CE2 3.89Å; W281-F309 HydrophobicContact CH2-CZ 4.5Å; W281-F309 HydrophobicContact CZ2-CE2 4.11Å; A305-F309 VanDerWaalsContact O-CD2 3.23Å; A305-F309 WeakPolarHBondContact O-CD2 3.44Å; A305-F309 PolarHBondContact O-N 2.89Å; E306-F309 PolarHBondContact O-N 3.31Å; F309-N311 PolarHBondContact O-N 3.01Å; F309-I312 HydrophobicContact CD1-CD1 4.44Å; F309-I312 PolarHBondContact O-N 2.88Å; F309-Y315 AromaticContact CD1-CD1 3.47Å; F309-Y315 HydrophobicContact CD1-CD1 3.47Å; F309-Y315 VanDerWaalsContact CD1-CD1 3.47Å; F309-Y315 HydrophobicContact CD1-CE1 4.33Å; F309-Y315 AromaticContact CD1-CG 3.64Å; F309-Y315 HydrophobicContact CD1-CG 3.64Å; F309-Y315 AromaticContact CE1-CD1 3.37Å; F309-Y315 HydrophobicContact CE1-CD1 3.37Å; F309-Y315 AromaticContact CE1-CE1 3.82Å; F309-Y315 HydrophobicContact CE1-CE1 3.82Å; F309-Y315 AromaticContact CE1-CG 3.99Å; F309-Y315 HydrophobicContact CE1-CG 3.99Å; F309-I319 HydrophobicContact CB-CG1 4.2Å; F309-I322 HydrophobicContact CD2-CD1 3.82Å; F309-I322 HydrophobicContact CG-CD1 4.48Å |
| 310 | V | 94.7 | Very high | 94.6 | Very high | 84 Ų | 84 | 64.5 Ų | 64.5 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.3 | 174 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | E306 L308 I319 | E306-V310 WeakPolarHBondContact O-CB 3.49Å; E306-V310 PolarHBondContact O-N 3.35Å; L308-V310 PolarHBondContact O-N 3.45Å; V310-I319 HydrophobicContact CB-CD1 4.14Å; V310-I319 HydrophobicContact CG2-CD1 4.23Å |
| 311 | N | 91.3 | Very high | 94.5 | Very high | 131 Ų | 131 | 61.5 Ų | 61.5 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0.9 | -178.7 | -68.1 | -52.1 | 0 | 0 | 0 | 113.1 | D307 L308 F309 | D307-N311 PolarHBondContact O-ND2 2.87Å; L308-N311 PolarHBondContact O-N 3.4Å; F309-N311 PolarHBondContact O-N 3.01Å |
| 312 | I | 92.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -116.7 | 121.2 | -176 | -51.9 | 173.4 | 0 | 0 | 0 | 110.1 | M191 F309 Y315 | M191-I312 HydrophobicContact CE-CD1 3.29Å; M191-I312 HydrophobicContact SD-CD1 4.33Å; F309-I312 HydrophobicContact CD1-CD1 4.44Å; F309-I312 PolarHBondContact O-N 2.88Å; I312-Y315 HydrophobicContact CB-CD2 4.01Å; I312-Y315 HydrophobicContact CG2-CD2 3.43Å; I312-Y315 VanDerWaalsContact CG2-CD2 3.43Å; I312-Y315 HydrophobicContact CG2-CE2 3.65Å; I312-Y315 HydrophobicContact CG2-CG 4.42Å |
| 313 | R | 89.7 | Confident | 94.5 | Very high | 244 Ų | 244 | 67.3 Ų | 67.3 | 92% | 0.921 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 139.5 | 176.6 | -62.2 | -175.8 | -168.7 | 178 | 4.2 | 110.5 | Y315 | R313-Y315 WeakPolarHBondContact O-CD2 3.3Š|
| 314 | G | 90.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 61% | 0.608 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | 1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N272 | N272-G314 PolarHBondContact ND2-O 3.11Š|
| 315 | Y | 94.4 | Very high | 94.7 | Very high | 22 Ų | 22 | 64.9 Ų | 64.9 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | trans | -114.2 | 11.8 | -176.5 | -69.5 | -95.8 | 0 | 0 | 0 | 114.8 | H268 A269 N272 F309 I312 R313 K317 R318 I319 | H268-Y315 HydrophobicContact CB-CE1 4.21Å; H268-Y315 AromaticContact CE1-CZ 3.99Å; H268-Y315 AromaticContact ND1-CE1 3.72Å; H268-Y315 AromaticContact ND1-CE2 3.87Å; H268-Y315 AromaticContact ND1-CZ 3.19Å; H268-Y315 PolarHBondContact ND1-OH 3.3Å; H268-Y315 WeakPolarHBondContact O-CE1 3.37Å; A269-Y315 WeakPolarHBondContact CA-OH 3.41Å; N272-Y315 WeakPolarHBondContact ND2-CE1 3.31Å; F309-Y315 AromaticContact CD1-CD1 3.47Å; F309-Y315 HydrophobicContact CD1-CD1 3.47Å; F309-Y315 VanDerWaalsContact CD1-CD1 3.47Å; F309-Y315 HydrophobicContact CD1-CE1 4.33Å; F309-Y315 AromaticContact CD1-CG 3.64Å; F309-Y315 HydrophobicContact CD1-CG 3.64Å; F309-Y315 AromaticContact CE1-CD1 3.37Å; F309-Y315 HydrophobicContact CE1-CD1 3.37Å; F309-Y315 AromaticContact CE1-CE1 3.82Å; F309-Y315 HydrophobicContact CE1-CE1 3.82Å; F309-Y315 AromaticContact CE1-CG 3.99Å; F309-Y315 HydrophobicContact CE1-CG 3.99Å; I312-Y315 HydrophobicContact CB-CD2 4.01Å; I312-Y315 HydrophobicContact CG2-CD2 3.43Å; I312-Y315 VanDerWaalsContact CG2-CD2 3.43Å; I312-Y315 HydrophobicContact CG2-CE2 3.65Å; I312-Y315 HydrophobicContact CG2-CG 4.42Å; R313-Y315 WeakPolarHBondContact O-CD2 3.3Å; Y315-K317 PolarHBondContact O-N 3.08Å; Y315-K317 VanDerWaalsContact O-N 3.09Å; Y315-R318 HydrophobicContact CD1-CG 3.91Å; Y315-R318 WeakPolarHBondContact O-CA 3.45Å; Y315-R318 WeakPolarHBondContact O-CB 3.49Å; Y315-R318 PolarHBondContact O-N 3.04Å; Y315-I319 PolarHBondContact O-N 2.88Å | ||
| 316 | N | 91.9 | Very high | 94.8 | Very high | 115 Ų | 115 | 68.6 Ų | 68.6 | 62% | 0.615 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -54.8 | -33.4 | -179.9 | -68.4 | -20.6 | 0 | 0 | 0 | 113.6 | I319 | N316-I319 PolarHBondContact O-N 3.29Å |
| 317 | K | 93.6 | Very high | 94.8 | Very high | 162 Ų | 162 | 73.7 Ų | 73.7 | 70% | 0.704 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.9 | -37.1 | 174.9 | -70 | -175.3 | 179 | 179.9 | 0 | 112.2 | Y315 I319 N320 D321 | Y315-K317 PolarHBondContact O-N 3.08Å; Y315-K317 VanDerWaalsContact O-N 3.09Å; K317-I319 VanDerWaalsContact C-N 3.32Å; K317-I319 PolarHBondContact O-N 3.01Å; K317-N320 WeakPolarHBondContact O-CB 3.34Å; K317-N320 PolarHBondContact O-N 2.96Å; K317-D321 PolarHBondContact O-N 3.36Å |
| 318 | R | 96.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 73.1 Ų | 73.1 | 11% | 0.113 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.8 | -30.8 | 179.4 | -55.5 | -60.6 | 152.2 | -135.6 | 12.7 | 112.5 | L271 N272 Y315 N320 D321 I322 | L271-R318 VanDerWaalsContact O-CZ 3.31Å; L271-R318 PolarHBondContact O-NE 3.18Å; L271-R318 VanDerWaalsContact O-NE 3.14Å; L271-R318 PolarHBondContact O-NH2 2.83Å; N272-R318 PolarHBondContact OD1-NE 2.92Å; N272-R318 PolarHBondContact OD1-NH2 2.8Å; Y315-R318 HydrophobicContact CD1-CG 3.91Å; Y315-R318 WeakPolarHBondContact O-CA 3.45Å; Y315-R318 WeakPolarHBondContact O-CB 3.49Å; Y315-R318 PolarHBondContact O-N 3.04Å; R318-N320 VanDerWaalsContact C-N 3.27Å; R318-N320 PolarHBondContact O-N 2.7Å; R318-D321 IonicContact CZ-OD2 3.63Å; R318-D321 IonicContact NH1-OD2 3.31Å; R318-D321 PolarHBondContact NH1-OD2 3.18Å; R318-D321 WeakPolarHBondContact O-CB 3.44Å; R318-D321 PolarHBondContact O-N 2.97Å; R318-I322 VanDerWaalsContact O-CG1 3.25Å; R318-I322 WeakPolarHBondContact O-CG1 3.49Å; R318-I322 PolarHBondContact O-N 3.15Å |
| 319 | I | 95.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 72.5 Ų | 72.5 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 172.2 | -59.2 | 172.6 | 0 | 0 | 0 | 110.7 | E306 F309 V310 Y315 N316 K317 I322 R323 | E306-I319 HydrophobicContact CG-CG2 4.28Å; F309-I319 HydrophobicContact CB-CG1 4.2Å; V310-I319 HydrophobicContact CB-CD1 4.14Å; V310-I319 HydrophobicContact CG2-CD1 4.23Å; Y315-I319 PolarHBondContact O-N 2.88Å; N316-I319 PolarHBondContact O-N 3.29Å; K317-I319 VanDerWaalsContact C-N 3.32Å; K317-I319 PolarHBondContact O-N 3.01Å; I319-I322 PolarHBondContact O-N 3.08Å; I319-R323 WeakPolarHBondContact O-CG 3.26Å; I319-R323 PolarHBondContact O-N 3.12Å; I319-R323 VanDerWaalsContact O-N 3.11Å |
| 320 | N | 95 | Very high | 94.8 | Very high | 102 Ų | 102 | 76 Ų | 76 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 176.4 | -65.2 | -22.2 | 0 | 0 | 0 | 111.6 | K317 R318 I322 R323 E324 | K317-N320 WeakPolarHBondContact O-CB 3.34Å; K317-N320 PolarHBondContact O-N 2.96Å; R318-N320 VanDerWaalsContact C-N 3.27Å; R318-N320 PolarHBondContact O-N 2.7Å; N320-I322 VanDerWaalsContact C-N 3.34Å; N320-I322 PolarHBondContact O-N 3.38Å; N320-R323 PolarHBondContact O-N 3.42Å; N320-E324 WeakPolarHBondContact O-CB 3.41Å; N320-E324 PolarHBondContact O-N 3.28Å |
| 321 | D | 97.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 74.7 Ų | 74.7 | 11% | 0.112 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 175.1 | -65.8 | -56.6 | 0 | 0 | 0 | 111.9 | K282 K317 R318 R323 E324 C325 | K282-D321 HydrophobicContact CD-CB 4.16Å; K282-D321 HydrophobicContact CG-CB 4.42Å; K282-D321 IonicContact NZ-OD1 2.81Å; K282-D321 PolarHBondContact NZ-OD1 3.13Å; K317-D321 PolarHBondContact O-N 3.36Å; R318-D321 IonicContact CZ-OD2 3.63Å; R318-D321 IonicContact NH1-OD2 3.31Å; R318-D321 PolarHBondContact NH1-OD2 3.18Å; R318-D321 WeakPolarHBondContact O-CB 3.44Å; R318-D321 PolarHBondContact O-N 2.97Å; D321-R323 PolarHBondContact O-N 2.96Å; D321-E324 PolarHBondContact O-N 3.01Å; D321-C325 WeakPolarHBondContact O-CB 3.48Å; D321-C325 PolarHBondContact O-N 3.3Å; D321-C325 PolarHBondContact O-SG 3.44Å |
| 322 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 178.5 | -66.9 | 161.8 | 0 | 0 | 0 | 110.7 | W281 L285 H302 A305 E306 F309 R318 I319 N320 C325 K326 | W281-I322 HydrophobicContact CH2-CD1 3.89Å; W281-I322 HydrophobicContact CH2-CG1 3.64Å; W281-I322 HydrophobicContact CZ3-CG1 4.08Å; L285-I322 HydrophobicContact CD1-CG1 4.31Å; H302-I322 HydrophobicContact CB-CG2 3.81Å; H302-I322 WeakPolarHBondContact O-CG2 3.41Å; A305-I322 HydrophobicContact CB-CD1 3.92Å; A305-I322 HydrophobicContact CB-CG1 4.45Å; E306-I322 HydrophobicContact CB-CG2 4.33Å; F309-I322 HydrophobicContact CD2-CD1 3.82Å; F309-I322 HydrophobicContact CG-CD1 4.48Å; R318-I322 VanDerWaalsContact O-CG1 3.25Å; R318-I322 WeakPolarHBondContact O-CG1 3.49Å; R318-I322 PolarHBondContact O-N 3.15Å; I319-I322 PolarHBondContact O-N 3.08Å; N320-I322 VanDerWaalsContact C-N 3.34Å; N320-I322 PolarHBondContact O-N 3.38Å; I322-C325 PolarHBondContact O-N 3.4Å; I322-K326 VanDerWaalsContact O-CB 3.29Å; I322-K326 WeakPolarHBondContact O-CB 3.36Å; I322-K326 PolarHBondContact O-N 3.28Å |
| 323 | R | 96.6 | Very high | 95.1 | Very high | 130 Ų | 130 | 72.2 Ų | 72.2 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 179.8 | -72.2 | 175.8 | 179 | 172.8 | 0.7 | 111.9 | E306 I319 N320 D321 K326 E327 | E306-R323 IonicContact OE1-CZ 3.72Å; E306-R323 IonicContact OE1-NE 2.69Å; E306-R323 PolarHBondContact OE1-NE 3.45Å; E306-R323 IonicContact OE1-NH2 3.6Å; E306-R323 PolarHBondContact OE1-NH2 2.92Å; I319-R323 WeakPolarHBondContact O-CG 3.26Å; I319-R323 PolarHBondContact O-N 3.12Å; I319-R323 VanDerWaalsContact O-N 3.11Å; N320-R323 PolarHBondContact O-N 3.42Å; D321-R323 PolarHBondContact O-N 2.96Å; R323-K326 WeakPolarHBondContact O-CB 3.35Å; R323-K326 PolarHBondContact O-N 3.16Å; R323-E327 PolarHBondContact O-N 3.4Å; R323-E327 VanDerWaalsContact O-N 3.14Å |
| 324 | E | 97.5 | Very high | 95.4 | Very high | 84 Ų | 84 | 61.6 Ų | 61.6 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 174.8 | -173.5 | -163 | 172.4 | 0 | 0 | 111.1 | K282 N320 D321 K326 E327 Q328 | K282-E324 IonicContact NZ-OE2 2.75Å; K282-E324 PolarHBondContact NZ-OE2 3.32Å; N320-E324 WeakPolarHBondContact O-CB 3.41Å; N320-E324 PolarHBondContact O-N 3.28Å; D321-E324 PolarHBondContact O-N 3.01Å; E324-K326 VanDerWaalsContact C-N 3.29Å; E324-K326 PolarHBondContact O-N 2.89Å; E324-E327 PolarHBondContact O-N 3.42Å; E324-Q328 WeakPolarHBondContact O-CG 3.37Å; E324-Q328 PolarHBondContact O-N 3.15Å; E324-Q328 PolarHBondContact OE1-NE2 3.39Å |
| 325 | C | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -35 | -179.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | L285 Q286 D321 I322 Q328 A329 | L285-C325 HydrophobicContact CB-CB 3.57Å; L285-C325 HydrophobicContact CD1-CB 4.41Å; Q286-C325 HydrophobicContact CG-CB 3.98Å; D321-C325 WeakPolarHBondContact O-CB 3.48Å; D321-C325 PolarHBondContact O-N 3.3Å; D321-C325 PolarHBondContact O-SG 3.44Å; I322-C325 PolarHBondContact O-N 3.4Å; C325-Q328 PolarHBondContact O-N 2.81Å; C325-A329 WeakPolarHBondContact O-CB 3.33Å; C325-A329 PolarHBondContact O-N 3.16Å |
| 326 | K | 97.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 174.6 | -175.2 | -176.1 | 179.7 | -178.8 | 0 | 111.7 | H302 I322 R323 E324 A329 L330 | H302-K326 HydrophobicContact CB-CB 3.8Å; H302-K326 HydrophobicContact CB-CD 3.83Å; H302-K326 HydrophobicContact CB-CG 3.81Å; H302-K326 VanDerWaalsContact CD2-CA 3.48Å; H302-K326 WeakPolarHBondContact CD2-CA 3.4Å; I322-K326 VanDerWaalsContact O-CB 3.29Å; I322-K326 WeakPolarHBondContact O-CB 3.36Å; I322-K326 PolarHBondContact O-N 3.28Å; R323-K326 WeakPolarHBondContact O-CB 3.35Å; R323-K326 PolarHBondContact O-N 3.16Å; E324-K326 VanDerWaalsContact C-N 3.29Å; E324-K326 PolarHBondContact O-N 2.89Å; K326-A329 PolarHBondContact O-N 3Å; K326-L330 HydrophobicContact CG-CD1 3.97Å; K326-L330 WeakPolarHBondContact O-CB 3.44Å; K326-L330 VanDerWaalsContact O-CG 3.3Å; K326-L330 WeakPolarHBondContact O-CG 3.4Å; K326-L330 PolarHBondContact O-N 2.92Å |
| 327 | E | 95.8 | Very high | 96.1 | Very high | 137 Ų | 137 | 57.4 Ų | 57.4 | 64% | 0.64 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 179 | -173.4 | 172.2 | -174.2 | 0 | 0 | 111.5 | R323 E324 L330 S331 | R323-E327 PolarHBondContact O-N 3.4Å; R323-E327 VanDerWaalsContact O-N 3.14Å; E324-E327 PolarHBondContact O-N 3.42Å; E327-L330 PolarHBondContact O-N 2.63Å; E327-S331 VanDerWaalsContact O-CB 3.24Å; E327-S331 WeakPolarHBondContact O-CB 3.3Å; E327-S331 PolarHBondContact O-N 2.91Å; E327-S331 PolarHBondContact O-OG 3.18Å |
| 328 | Q | 95.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 175.5 | -72.1 | 171.4 | -3.2 | 0 | 0 | 111.9 | Q286 E324 C325 L330 S331 H332 | Q286-Q328 HydrophobicContact CG-CB 4.25Å; E324-Q328 WeakPolarHBondContact O-CG 3.37Å; E324-Q328 PolarHBondContact O-N 3.15Å; E324-Q328 PolarHBondContact OE1-NE2 3.39Å; C325-Q328 PolarHBondContact O-N 2.81Å; Q328-L330 PolarHBondContact O-N 3.24Å; Q328-S331 PolarHBondContact O-N 2.86Å; Q328-H332 WeakPolarHBondContact O-CB 3.13Å; Q328-H332 PolarHBondContact O-N 3.21Å |
| 329 | A | 95.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -61.2 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q286 T289 C325 K326 S331 A333 | Q286-A329 WeakPolarHBondContact O-CA 3.26Å; Q286-A329 WeakPolarHBondContact O-CB 3.33Å; T289-A329 HydrophobicContact CG2-CB 3.81Å; C325-A329 WeakPolarHBondContact O-CB 3.33Å; C325-A329 PolarHBondContact O-N 3.16Å; K326-A329 PolarHBondContact O-N 3Å; A329-S331 PolarHBondContact O-N 3.24Å; A329-A333 WeakPolarHBondContact O-CB 3.35Å; A329-A333 PolarHBondContact O-N 3.28Å |
| 330 | L | 93.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -65.5 | -21.3 | 177.9 | -74.5 | 169.9 | 0 | 0 | 0 | 113.7 | T289 K326 E327 Q328 I390 K393 | T289-L330 HydrophobicContact CG2-CD2 3.85Å; T289-L330 HydrophobicContact CG2-CG 4.09Å; K326-L330 HydrophobicContact CG-CD1 3.97Å; K326-L330 WeakPolarHBondContact O-CB 3.44Å; K326-L330 VanDerWaalsContact O-CG 3.3Å; K326-L330 WeakPolarHBondContact O-CG 3.4Å; K326-L330 PolarHBondContact O-N 2.92Å; E327-L330 PolarHBondContact O-N 2.63Å; Q328-L330 PolarHBondContact O-N 3.24Å; L330-I390 HydrophobicContact CD2-CG2 4.49Å; L330-K393 PolarHBondContact O-NZ 3.37Å |
| 331 | S | 92.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -103.3 | -33.1 | -174.9 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | E327 Q328 A329 | E327-S331 VanDerWaalsContact O-CB 3.24Å; E327-S331 WeakPolarHBondContact O-CB 3.3Å; E327-S331 PolarHBondContact O-N 2.91Å; E327-S331 PolarHBondContact O-OG 3.18Å; Q328-S331 PolarHBondContact O-N 2.86Å; A329-S331 PolarHBondContact O-N 3.24Å |
| 332 | H | 95.2 | Very high | 96.8 | Very high | 123 Ų | 123 | 53 Ų | 53 | 57% | 0.569 | 26% | 0.258 | S | S | * | . | I | π-helix | trans | -122 | -26.7 | -169.7 | -59.8 | -60.5 | 0 | 0 | 0 | 114.8 | Q328 G334 S335 M336 | Q328-H332 WeakPolarHBondContact O-CB 3.13Å; Q328-H332 PolarHBondContact O-N 3.21Å; H332-G334 PolarHBondContact O-N 2.9Å; H332-S335 PolarHBondContact O-N 3.26Å; H332-S335 PolarHBondContact O-OG 3.34Å; H332-M336 WeakPolarHBondContact O-CB 3.35Å; H332-M336 PolarHBondContact O-N 2.97Å |
| 333 | A | 96.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -62.6 | -43.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S287 A329 S335 M336 H337 W382 | S287-A333 WeakPolarHBondContact O-CB 3.49Å; A329-A333 WeakPolarHBondContact O-CB 3.35Å; A329-A333 PolarHBondContact O-N 3.28Å; A333-S335 VanDerWaalsContact C-N 3.34Å; A333-S335 PolarHBondContact O-N 2.96Å; A333-M336 PolarHBondContact O-N 3.19Å; A333-H337 PolarHBondContact O-CD2 2.76Å; A333-H337 PolarHBondContact O-N 3.29Å; A333-W382 HydrophobicContact CB-CH2 4.49Å; A333-W382 HydrophobicContact CB-CZ2 3.98Å |
| 334 | G | 95.7 | Very high | 96.9 | Very high | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.8 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H332 R338 | H332-G334 PolarHBondContact O-N 2.9Å; G334-R338 WeakPolarHBondContact O-CB 3.39Å; G334-R338 PolarHBondContact O-N 2.99Å |
| 335 | S | 95.6 | Very high | 97 | Very high | 58 Ų | 58 | 45 Ų | 45 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -76 | -38.6 | 177.4 | 55.9 | 0 | 0 | 0 | 0 | 112 | H332 A333 H337 R338 E339 | H332-S335 PolarHBondContact O-N 3.26Å; H332-S335 PolarHBondContact O-OG 3.34Å; A333-S335 VanDerWaalsContact C-N 3.34Å; A333-S335 PolarHBondContact O-N 2.96Å; S335-H337 PolarHBondContact O-N 3.39Å; S335-R338 WeakPolarHBondContact O-CB 3.21Å; S335-R338 PolarHBondContact O-N 3.46Å; S335-E339 PolarHBondContact O-N 2.82Å |
| 336 | M | 97.6 | Very high | 97 | Very high | 43 Ų | 43 | 49 Ų | 49 | 21% | 0.212 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -51.2 | 177.3 | -172.2 | -78.4 | -74.9 | 0 | 0 | 111.5 | H332 A333 R338 E339 R340 | H332-M336 WeakPolarHBondContact O-CB 3.35Å; H332-M336 PolarHBondContact O-N 2.97Å; A333-M336 PolarHBondContact O-N 3.19Å; M336-R338 VanDerWaalsContact C-N 3.33Å; M336-R338 PolarHBondContact O-N 2.99Å; M336-E339 PolarHBondContact O-N 3.37Å; M336-R340 PolarHBondContact O-N 3.48Å; M336-R340 HydrophobicContact SD-CG 3.95Å; M336-R340 PolarHBondContact SD-NE 3.37Å |
| 337 | H | 98.4 | Very high | 97 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -33.9 | 177.2 | -76.9 | -79.1 | 0 | 0 | 0 | 112.7 | S287 A333 S335 E339 R340 R341 E379 W382 | S287-H337 PolarHBondContact O-NE2 3.1Å; A333-H337 PolarHBondContact O-CD2 2.76Å; A333-H337 PolarHBondContact O-N 3.29Å; S335-H337 PolarHBondContact O-N 3.39Å; H337-E339 VanDerWaalsContact C-N 3.34Å; H337-E339 PolarHBondContact O-N 3.22Å; H337-R340 PolarHBondContact O-N 3.29Å; H337-R341 PolarHBondContact O-N 3.49Å; H337-R341 VanDerWaalsContact O-N 3.1Å; H337-R341 PolarHBondContact O-NH1 3.13Å; H337-E379 WeakPolarHBondContact CA-OE2 3.35Å; H337-E379 WeakPolarHBondContact CB-OE2 3.46Å; H337-E379 IonicContact CE1-OE1 2.84Å; H337-E379 PolarHBondContact CE1-OE1 3.03Å; H337-E379 IonicContact CE1-OE2 3.17Å; H337-E379 IonicContact CG-OE2 2.67Å; H337-E379 IonicContact ND1-OE1 3.06Å; H337-E379 PolarHBondContact ND1-OE1 3.16Å; H337-E379 IonicContact ND1-OE2 3.33Å; H337-E379 PolarHBondContact ND1-OE2 3.36Å; H337-W382 HydrophobicContact CB-CD2 4.16Å; H337-W382 HydrophobicContact CB-CE3 3.65Å; H337-W382 HydrophobicContact CB-CH2 4Å; H337-W382 HydrophobicContact CB-CZ2 4.44Å; H337-W382 HydrophobicContact CB-CZ3 3.57Å; H337-W382 AromaticContact CD2-CD2 3.64Å; H337-W382 AromaticContact CD2-CE2 3.21Å; H337-W382 AromaticContact CD2-CE3 3.97Å; H337-W382 AromaticContact CD2-CH2 3.65Å; H337-W382 AromaticContact CD2-CZ2 3.24Å; H337-W382 WeakPolarHBondContact CD2-CZ2 3.46Å; H337-W382 AromaticContact CD2-CZ3 3.99Å; H337-W382 AromaticContact CD2-NE1 3.62Å; H337-W382 AromaticContact CE1-CD1 3.57Å; H337-W382 AromaticContact CE1-CD2 3.86Å; H337-W382 AromaticContact CE1-CE2 3.83Å; H337-W382 AromaticContact CE1-CG 3.76Å; H337-W382 AromaticContact CE1-NE1 3.61Å; H337-W382 AromaticContact CG-CD2 3.58Å; H337-W382 AromaticContact CG-CE2 3.69Å; H337-W382 AromaticContact CG-CE3 3.61Å; H337-W382 AromaticContact CG-CH2 3.96Å; H337-W382 AromaticContact CG-CZ2 3.9Å; H337-W382 AromaticContact CG-CZ3 3.82Å; H337-W382 AromaticContact ND1-CD2 3.73Å; H337-W382 AromaticContact ND1-CG 3.88Å; H337-W382 AromaticContact NE2-CD1 3.67Å; H337-W382 AromaticContact NE2-CD2 3.84Å; H337-W382 AromaticContact NE2-CE2 3.35Å; H337-W382 VanDerWaalsContact NE2-CE2 3.35Å; H337-W382 AromaticContact NE2-CZ2 3.79Å; H337-W382 AromaticContact NE2-NE1 3.2Å; H337-W382 PolarHBondContact NE2-NE1 2.97Å; H337-W382 VanDerWaalsContact NE2-NE1 3.2Å |
| 338 | R | 98.1 | Very high | 97.2 | Very high | 79 Ų | 79 | 39.4 Ų | 39.4 | 30% | 0.298 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 172.6 | -178.4 | -172.3 | -73.6 | 169.2 | -2.5 | 111.7 | G334 S335 M336 K342 D396 | G334-R338 WeakPolarHBondContact O-CB 3.39Å; G334-R338 PolarHBondContact O-N 2.99Å; S335-R338 WeakPolarHBondContact O-CB 3.21Å; S335-R338 PolarHBondContact O-N 3.46Å; M336-R338 VanDerWaalsContact C-N 3.33Å; M336-R338 PolarHBondContact O-N 2.99Å; R338-K342 PolarHBondContact O-N 3.25Å; R338-D396 PolarHBondContact NH2-O 3.24Å |
| 339 | E | 98.4 | Very high | 97.3 | Very high | 62 Ų | 62 | 41 Ų | 41 | 29% | 0.29 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.7 | -32.8 | 178.2 | -64.6 | -51.1 | 121.6 | 0 | 0 | 112.8 | A219 S335 M336 H337 K342 F343 | A219-E339 HydrophobicContact CB-CB 3.8Å; A219-E339 WeakPolarHBondContact CB-O 3.07Å; S335-E339 PolarHBondContact O-N 2.82Å; M336-E339 PolarHBondContact O-N 3.37Å; H337-E339 VanDerWaalsContact C-N 3.34Å; H337-E339 PolarHBondContact O-N 3.22Å; E339-K342 PolarHBondContact O-N 2.87Å; E339-K342 WeakPolarHBondContact OE1-CE 3.46Å; E339-K342 IonicContact OE1-NZ 3.44Å; E339-K342 PolarHBondContact OE1-NZ 2.68Å; E339-K342 WeakPolarHBondContact OE2-CD 3.21Å; E339-K342 IonicContact OE2-NZ 2.77Å; E339-F343 PolarHBondContact O-N 3.38Å |
| 340 | R | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 172.1 | -75.4 | -173.8 | 169.7 | 162.9 | 9.2 | 112.1 | N216 L217 W222 M336 H337 K342 F343 L344 E379 | N216-R340 PolarHBondContact O-NH2 3.35Å; N216-R340 PolarHBondContact OD1-NH2 2.88Å; L217-R340 VanDerWaalsContact O-CZ 3.25Å; L217-R340 PolarHBondContact O-NE 3.5Å; L217-R340 PolarHBondContact O-NH2 3.26Å; W222-R340 HydrophobicContact CE3-CB 4.47Å; W222-R340 HydrophobicContact CE3-CG 4.09Å; W222-R340 HydrophobicContact CH2-CB 4.05Å; W222-R340 HydrophobicContact CH2-CG 3.62Å; W222-R340 HydrophobicContact CZ2-CG 4.36Å; W222-R340 HydrophobicContact CZ3-CB 3.63Å; W222-R340 HydrophobicContact CZ3-CG 3.45Å; W222-R340 VanDerWaalsContact CZ3-CG 3.45Å; M336-R340 PolarHBondContact O-N 3.48Å; M336-R340 HydrophobicContact SD-CG 3.95Å; M336-R340 PolarHBondContact SD-NE 3.37Å; H337-R340 PolarHBondContact O-N 3.29Å; R340-K342 VanDerWaalsContact C-N 3.32Å; R340-K342 PolarHBondContact O-N 3.37Å; R340-F343 WeakPolarHBondContact O-CB 3.48Å; R340-F343 PolarHBondContact O-N 3.19Å; R340-L344 WeakPolarHBondContact O-CB 3.42Å; R340-L344 WeakPolarHBondContact O-CG 3.47Å; R340-L344 PolarHBondContact O-N 3.49Å; R340-E379 HydrophobicContact CB-CG 4.16Å; R340-E379 WeakPolarHBondContact CD-OE1 3.31Å; R340-E379 IonicContact CZ-OE1 2.66Å; R340-E379 IonicContact NE-OE1 2.89Å; R340-E379 IonicContact NH1-OE1 2.83Å; R340-E379 PolarHBondContact NH1-OE1 3.34Å; R340-E379 VanDerWaalsContact NH1-OE1 3.1Å |
| 341 | R | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.3 | -69.2 | -170.2 | -56.9 | -83.2 | 3.6 | 113 | H337 L344 R345 E379 D400 L406 | H337-R341 PolarHBondContact O-N 3.49Å; H337-R341 VanDerWaalsContact O-N 3.1Å; H337-R341 PolarHBondContact O-NH1 3.13Å; R341-L344 PolarHBondContact O-N 2.92Å; R341-R345 WeakPolarHBondContact O-CG 3.38Å; R341-R345 PolarHBondContact O-N 3.04Å; R341-E379 HydrophobicContact CG-CB 3.79Å; R341-E379 HydrophobicContact CG-CG 4.43Å; R341-D400 IonicContact CZ-OD2 2.89Å; R341-D400 IonicContact NE-OD2 3.74Å; R341-D400 PolarHBondContact NE-OD2 2.86Å; R341-D400 IonicContact NH2-OD2 2.7Å; R341-L406 HydrophobicContact CB-CD2 4.44Å; R341-L406 HydrophobicContact CG-CD2 4.18Å |
| 342 | K | 98.5 | Very high | 98 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.2 | -46 | 173.4 | -73.9 | 173.4 | 178.1 | 174.4 | 0 | 112.2 | R338 E339 R340 R345 S346 | R338-K342 PolarHBondContact O-N 3.25Å; E339-K342 PolarHBondContact O-N 2.87Å; E339-K342 WeakPolarHBondContact OE1-CE 3.46Å; E339-K342 IonicContact OE1-NZ 3.44Å; E339-K342 PolarHBondContact OE1-NZ 2.68Å; E339-K342 WeakPolarHBondContact OE2-CD 3.21Å; E339-K342 IonicContact OE2-NZ 2.77Å; R340-K342 VanDerWaalsContact C-N 3.32Å; R340-K342 PolarHBondContact O-N 3.37Å; K342-R345 VanDerWaalsContact CG-NH2 3.27Å; K342-S346 PolarHBondContact O-OG 3.3Å |
| 343 | F | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 176 | 175.7 | -92.1 | 0 | 0 | 0 | 111.1 | A219 W222 R223 L227 E339 R340 R345 S346 A347 | A219-F343 HydrophobicContact CB-CB 4.24Å; W222-F343 HydrophobicContact CB-CD1 4.17Å; W222-F343 HydrophobicContact CB-CD2 4.37Å; W222-F343 HydrophobicContact CB-CE1 3.87Å; W222-F343 HydrophobicContact CB-CE2 4.08Å; W222-F343 HydrophobicContact CB-CG 4.41Å; W222-F343 HydrophobicContact CB-CZ 3.82Å; W222-F343 HydrophobicContact CD2-CD1 4.38Å; W222-F343 HydrophobicContact CE3-CB 4.47Å; W222-F343 AromaticContact CE3-CD1 3.53Å; W222-F343 HydrophobicContact CE3-CD1 3.53Å; W222-F343 HydrophobicContact CE3-CE1 4.04Å; W222-F343 HydrophobicContact CE3-CG 4.15Å; W222-F343 HydrophobicContact CZ3-CD1 4.26Å; R223-F343 HydrophobicContact CB-CE2 4.49Å; R223-F343 HydrophobicContact CG-CD2 3.63Å; R223-F343 HydrophobicContact CG-CE2 3.78Å; L227-F343 HydrophobicContact CB-CE1 4.24Å; L227-F343 HydrophobicContact CB-CZ 3.99Å; L227-F343 WeakPolarHBondContact O-CZ 3.4Å; E339-F343 PolarHBondContact O-N 3.38Å; R340-F343 WeakPolarHBondContact O-CB 3.48Å; R340-F343 PolarHBondContact O-N 3.19Å; F343-R345 VanDerWaalsContact C-N 3.34Å; F343-R345 PolarHBondContact O-N 2.73Å; F343-S346 WeakPolarHBondContact O-CB 3.4Å; F343-S346 PolarHBondContact O-N 2.95Å; F343-A347 HydrophobicContact CD1-CB 4.37Å; F343-A347 HydrophobicContact CE1-CB 3.98Å; F343-A347 HydrophobicContact CZ-CB 4.36Å; F343-A347 PolarHBondContact O-N 2.99Å |
| 344 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | -176.6 | -70.9 | 171.1 | 0 | 0 | 0 | 112.6 | W222 L228 R340 R341 S346 A347 L348 F375 E379 L406 | W222-L344 HydrophobicContact CZ3-CD1 4.16Å; W222-L344 HydrophobicContact CZ3-CD2 4.26Å; W222-L344 HydrophobicContact CZ3-CG 4.03Å; L228-L344 HydrophobicContact CD1-CD2 4.37Å; R340-L344 WeakPolarHBondContact O-CB 3.42Å; R340-L344 WeakPolarHBondContact O-CG 3.47Å; R340-L344 PolarHBondContact O-N 3.49Å; R341-L344 PolarHBondContact O-N 2.92Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 3.49Å; L344-A347 PolarHBondContact O-N 3.38Å; L344-L348 HydrophobicContact CB-CD1 4.14Å; L344-L348 HydrophobicContact CD2-CD1 3.94Å; L344-L348 VanDerWaalsContact O-CB 3.32Å; L344-L348 WeakPolarHBondContact O-CB 3.42Å; L344-L348 VanDerWaalsContact O-CD1 3.25Å; L344-L348 WeakPolarHBondContact O-CD1 3.47Å; L344-L348 PolarHBondContact O-N 3.23Å; L344-F375 HydrophobicContact CD1-CB 4.13Å; L344-F375 HydrophobicContact CD2-CB 3.93Å; L344-F375 HydrophobicContact CD2-CD2 4.44Å; L344-E379 HydrophobicContact CD1-CB 4.42Å; L344-E379 HydrophobicContact CD1-CG 3.79Å; L344-L406 HydrophobicContact CB-CD1 3.84Å |
| 345 | R | 98.7 | Very high | 98.3 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.4 | -44 | 172.6 | -79.4 | -171.5 | -68.4 | -92.1 | 6.2 | 112.5 | R341 K342 F343 K349 D400 H402 E405 L406 | R341-R345 WeakPolarHBondContact O-CG 3.38Å; R341-R345 PolarHBondContact O-N 3.04Å; K342-R345 VanDerWaalsContact CG-NH2 3.27Å; F343-R345 VanDerWaalsContact C-N 3.34Å; F343-R345 PolarHBondContact O-N 2.73Å; R345-K349 WeakPolarHBondContact O-CB 3.13Å; R345-K349 PolarHBondContact O-N 2.93Å; R345-D400 IonicContact CZ-OD1 2.72Å; R345-D400 IonicContact CZ-OD2 3.74Å; R345-D400 IonicContact NH1-OD1 2.88Å; R345-D400 PolarHBondContact NH1-OD1 3.31Å; R345-D400 IonicContact NH1-OD2 3.51Å; R345-D400 PolarHBondContact NH1-OD2 3.4Å; R345-D400 IonicContact NH2-OD1 3.04Å; R345-D400 IonicContact NH2-OD2 3.31Å; R345-H402 WeakPolarHBondContact CD-O 3.32Å; R345-E405 HydrophobicContact CG-CG 4.39Å; R345-L406 HydrophobicContact CG-CB 3.83Å; R345-L406 HydrophobicContact CG-CD1 4.17Å |
| 346 | S | 98.2 | Very high | 98.4 | Very high | 84 Ų | 84 | 35.6 Ų | 35.6 | 59% | 0.587 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -70.4 | -46.1 | 179.4 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | K342 F343 L344 K349 E350 | K342-S346 PolarHBondContact O-OG 3.3Å; F343-S346 WeakPolarHBondContact O-CB 3.4Å; F343-S346 PolarHBondContact O-N 2.95Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 3.49Å; S346-K349 PolarHBondContact O-N 3.1Å; S346-E350 PolarHBondContact O-N 2.95Å |
| 347 | A | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L228 F343 L344 E350 L351 | L228-A347 HydrophobicContact CD1-CB 4.44Å; F343-A347 HydrophobicContact CD1-CB 4.37Å; F343-A347 HydrophobicContact CE1-CB 3.98Å; F343-A347 HydrophobicContact CZ-CB 4.36Å; F343-A347 PolarHBondContact O-N 2.99Å; L344-A347 PolarHBondContact O-N 3.38Å; A347-E350 PolarHBondContact O-N 3.35Å; A347-L351 WeakPolarHBondContact O-CB 3.3Å; A347-L351 PolarHBondContact O-N 2.8Å |
| 348 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.5 | -36.3 | 179.4 | -86.8 | 67.1 | 0 | 0 | 0 | 111.7 | L228 L344 A352 A372 A376 L406 M410 L413 | L228-L348 HydrophobicContact CD1-CD1 4.42Å; L344-L348 HydrophobicContact CB-CD1 4.14Å; L344-L348 HydrophobicContact CD2-CD1 3.94Å; L344-L348 VanDerWaalsContact O-CB 3.32Å; L344-L348 WeakPolarHBondContact O-CB 3.42Å; L344-L348 VanDerWaalsContact O-CD1 3.25Å; L344-L348 WeakPolarHBondContact O-CD1 3.47Å; L344-L348 PolarHBondContact O-N 3.23Å; L348-A352 WeakPolarHBondContact O-CB 3.44Å; L348-A352 PolarHBondContact O-N 2.92Å; L348-A372 HydrophobicContact CD1-CB 3.85Å; L348-A372 HydrophobicContact CG-CB 4.05Å; L348-A376 HydrophobicContact CD2-CB 3.68Å; L348-L406 HydrophobicContact CD2-CD1 4.11Å; L348-M410 HydrophobicContact CD2-CG 3.79Å; L348-L413 HydrophobicContact CD2-CD1 4.47Å; L348-L413 HydrophobicContact CG-CD1 4.19Å |
| 349 | K | 98.7 | Very high | 98.3 | Very high | 92 Ų | 92 | 41.2 Ų | 41.2 | 40% | 0.4 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.9 | -50.1 | 174.1 | 179 | 171.9 | -172.6 | 171.4 | 0 | 111.9 | R345 S346 T353 Y409 | R345-K349 WeakPolarHBondContact O-CB 3.13Å; R345-K349 PolarHBondContact O-N 2.93Å; S346-K349 PolarHBondContact O-N 3.1Å; K349-T353 VanDerWaalsContact O-CB 3.32Å; K349-T353 WeakPolarHBondContact O-CB 3.46Å; K349-T353 PolarHBondContact O-N 3.07Å; K349-T353 PolarHBondContact O-OG1 3.32Å; K349-Y409 HydrophobicContact CB-CD1 4.34Å; K349-Y409 HydrophobicContact CB-CD2 3.82Å; K349-Y409 HydrophobicContact CB-CE1 4.13Å; K349-Y409 HydrophobicContact CB-CE2 3.58Å; K349-Y409 HydrophobicContact CB-CG 4.22Å; K349-Y409 HydrophobicContact CD-CE2 3.78Å; K349-Y409 WeakPolarHBondContact CD-OH 3.34Å; K349-Y409 WeakPolarHBondContact CE-OH 3.38Å; K349-Y409 HydrophobicContact CG-CD2 4.42Å; K349-Y409 HydrophobicContact CG-CE1 3.89Å; K349-Y409 HydrophobicContact CG-CE2 3.73Å; K349-Y409 VanDerWaalsContact CG-CZ 3.44Å |
| 350 | E | 98.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.2 | -50.1 | 176.2 | -179.6 | -179.9 | 111 | 0 | 0 | 110.4 | S229 I231 S346 A347 T353 V354 | S229-E350 PolarHBondContact OG-OE1 2.81Å; I231-E350 HydrophobicContact CD1-CG 4.33Å; I231-E350 WeakPolarHBondContact CG1-OE1 3.43Å; S346-E350 PolarHBondContact O-N 2.95Å; A347-E350 PolarHBondContact O-N 3.35Å; E350-T353 PolarHBondContact O-N 3.09Å; E350-V354 HydrophobicContact CG-CG2 4.42Å; E350-V354 WeakPolarHBondContact O-CB 3.33Å; E350-V354 VanDerWaalsContact O-CG2 3.3Å; E350-V354 WeakPolarHBondContact O-CG2 3.17Å; E350-V354 PolarHBondContact O-N 2.78Å |
| 351 | L | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -52 | -178.8 | -178.9 | 62.1 | 0 | 0 | 0 | 112 | L230 A347 T353 V354 L355 F368 A372 L413 | L230-L351 HydrophobicContact CD1-CD1 3.54Å; L230-L351 HydrophobicContact CD2-CD1 4.33Å; L230-L351 HydrophobicContact CG-CD1 3.74Å; A347-L351 WeakPolarHBondContact O-CB 3.3Å; A347-L351 PolarHBondContact O-N 2.8Å; L351-T353 VanDerWaalsContact C-N 3.32Å; L351-T353 PolarHBondContact O-N 3.12Å; L351-V354 PolarHBondContact O-N 2.7Å; L351-L355 HydrophobicContact CD1-CD1 3.78Å; L351-L355 HydrophobicContact CD1-CG 4.18Å; L351-L355 HydrophobicContact CG-CD1 3.88Å; L351-L355 WeakPolarHBondContact O-CB 3.25Å; L351-L355 WeakPolarHBondContact O-CG 3.49Å; L351-L355 PolarHBondContact O-N 3.01Å; L351-F368 HydrophobicContact CD1-CB 4.49Å; L351-A372 HydrophobicContact CD2-CB 3.65Å; L351-L413 HydrophobicContact CD2-CD1 4.2Å; L351-L413 HydrophobicContact CD2-CD2 4.35Å; L351-L413 HydrophobicContact CG-CD2 4.18Å |
| 352 | A | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -41.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L348 L355 A356 Y409 E412 L413 | L348-A352 WeakPolarHBondContact O-CB 3.44Å; L348-A352 PolarHBondContact O-N 2.92Å; A352-L355 PolarHBondContact O-N 3.18Å; A352-A356 WeakPolarHBondContact O-CB 3.47Å; A352-A356 PolarHBondContact O-N 3.4Å; A352-Y409 HydrophobicContact CB-CD1 4.26Å; A352-E412 HydrophobicContact CB-CB 4.03Å; A352-L413 HydrophobicContact CB-CD2 3.94Å; A352-L413 HydrophobicContact CB-CG 4.2Å |
| 353 | T | 98.3 | Very high | 98.2 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.3 | -44.6 | -179.4 | -53 | 0 | 0 | 0 | 0 | 111.6 | K349 E350 L351 L355 A356 D357 | K349-T353 VanDerWaalsContact O-CB 3.32Å; K349-T353 WeakPolarHBondContact O-CB 3.46Å; K349-T353 PolarHBondContact O-N 3.07Å; K349-T353 PolarHBondContact O-OG1 3.32Å; E350-T353 PolarHBondContact O-N 3.09Å; L351-T353 VanDerWaalsContact C-N 3.32Å; L351-T353 PolarHBondContact O-N 3.12Å; T353-L355 VanDerWaalsContact C-N 3.34Å; T353-L355 PolarHBondContact O-N 2.92Å; T353-A356 PolarHBondContact O-N 3.19Å; T353-D357 PolarHBondContact O-N 3.15Å |
| 354 | V | 98.4 | Very high | 98.2 | Very high | 29 Ų | 29 | 36 Ų | 36 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L230 I231 M237 E350 L351 D357 Q358 L361 | L230-V354 HydrophobicContact CB-CG1 4.33Å; L230-V354 HydrophobicContact CD1-CB 4.35Å; L230-V354 HydrophobicContact CD1-CG1 3.82Å; I231-V354 HydrophobicContact CG2-CG2 4.46Å; M237-V354 HydrophobicContact CE-CG1 4.36Å; E350-V354 HydrophobicContact CG-CG2 4.42Å; E350-V354 WeakPolarHBondContact O-CB 3.33Å; E350-V354 VanDerWaalsContact O-CG2 3.3Å; E350-V354 WeakPolarHBondContact O-CG2 3.17Å; E350-V354 PolarHBondContact O-N 2.78Å; L351-V354 PolarHBondContact O-N 2.7Å; V354-D357 PolarHBondContact O-N 3.29Å; V354-Q358 PolarHBondContact O-N 2.98Å; V354-L361 HydrophobicContact CG1-CD1 4.06Å |
| 355 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.6 | -33.4 | 177 | -68.1 | 173 | 0 | 0 | 0 | 112.6 | L230 L351 A352 T353 D357 Q358 P359 L361 L362 V369 L413 | L230-L355 HydrophobicContact CD1-CD2 4.04Å; L230-L355 HydrophobicContact CD1-CG 4.26Å; L351-L355 HydrophobicContact CD1-CD1 3.78Å; L351-L355 HydrophobicContact CD1-CG 4.18Å; L351-L355 HydrophobicContact CG-CD1 3.88Å; L351-L355 WeakPolarHBondContact O-CB 3.25Å; L351-L355 WeakPolarHBondContact O-CG 3.49Å; L351-L355 PolarHBondContact O-N 3.01Å; A352-L355 PolarHBondContact O-N 3.18Å; T353-L355 VanDerWaalsContact C-N 3.34Å; T353-L355 PolarHBondContact O-N 2.92Å; L355-D357 VanDerWaalsContact C-N 3.35Å; L355-Q358 CarbonylContact O-C 3.28Å; L355-Q358 VanDerWaalsContact O-C 3.24Å; L355-P359 WeakPolarHBondContact O-CA 3.48Å; L355-P359 VanDerWaalsContact O-N 3.1Å; L355-L361 HydrophobicContact CD2-CB 3.77Å; L355-L362 HydrophobicContact CB-CD2 4.47Å; L355-L362 HydrophobicContact CD1-CD2 3.91Å; L355-L362 HydrophobicContact CD2-CD2 4.08Å; L355-L362 HydrophobicContact CD2-CG 4.25Å; L355-L362 HydrophobicContact CG-CD2 4.38Å; L355-V369 HydrophobicContact CD1-CG2 3.63Å; L355-L413 HydrophobicContact CD1-CD2 3.83Å |
| 356 | A | 97 | Very high | 98.1 | Very high | 42 Ų | 42 | 35.7 Ų | 35.7 | 35% | 0.347 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A352 T353 | A352-A356 WeakPolarHBondContact O-CB 3.47Å; A352-A356 PolarHBondContact O-N 3.4Å; T353-A356 PolarHBondContact O-N 3.19Å |
| 357 | D | 97.7 | Very high | 98.1 | Very high | 117 Ų | 117 | 31.9 Ų | 31.9 | 63% | 0.626 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -71.1 | -40.9 | 176.7 | -173.7 | 74.8 | 0 | 0 | 0 | 112.2 | T353 V354 L355 P359 | T353-D357 PolarHBondContact O-N 3.15Å; V354-D357 PolarHBondContact O-N 3.29Å; L355-D357 VanDerWaalsContact C-N 3.35Å; D357-P359 WeakPolarHBondContact O-CD 3.49Å |
| 358 | Q | 97.3 | Very high | 98.1 | Very high | 101 Ų | 101 | 33.4 Ų | 33.4 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | trans | -124 | 75.1 | 178.9 | -58.7 | -57.8 | -42.3 | 0 | 0 | 112.2 | V354 L355 G360 L361 | V354-Q358 PolarHBondContact O-N 2.98Å; L355-Q358 CarbonylContact O-C 3.28Å; L355-Q358 VanDerWaalsContact O-C 3.24Å; Q358-G360 PolarHBondContact O-N 3.3Å; Q358-L361 HydrophobicContact CB-CD1 3.74Å; Q358-L361 HydrophobicContact CB-CG 3.93Å; Q358-L361 WeakPolarHBondContact O-CB 3.03Å; Q358-L361 PolarHBondContact O-N 2.67Å | ||
| 359 | P | 97.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -58.5 | -25.4 | -176.7 | -27.3 | 35.9 | 0 | 0 | 0 | 114.7 | L355 D357 L361 L362 Y420 | L355-P359 WeakPolarHBondContact O-CA 3.48Å; L355-P359 VanDerWaalsContact O-N 3.1Å; D357-P359 WeakPolarHBondContact O-CD 3.49Å; P359-L361 PolarHBondContact O-N 3.26Å; P359-L362 VanDerWaalsContact O-CB 3.3Å; P359-L362 WeakPolarHBondContact O-CB 3.42Å; P359-L362 WeakPolarHBondContact O-CG 3.38Å; P359-L362 PolarHBondContact O-N 2.95Å; P359-Y420 HydrophobicContact CB-CD1 3.84Å; P359-Y420 HydrophobicContact CB-CD2 3.91Å; P359-Y420 HydrophobicContact CB-CE1 3.81Å; P359-Y420 HydrophobicContact CB-CE2 3.86Å; P359-Y420 HydrophobicContact CB-CG 3.9Å; P359-Y420 HydrophobicContact CG-CD1 4.44Å; P359-Y420 HydrophobicContact CG-CD2 4.43Å; P359-Y420 HydrophobicContact CG-CE1 3.9Å; P359-Y420 HydrophobicContact CG-CE2 3.87Å |
| 360 | G | 97.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 29 Ų | 29 | 54% | 0.536 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -58.3 | -25 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q358 L362 G363 P364 | Q358-G360 PolarHBondContact O-N 3.3Å; G360-L362 PolarHBondContact O-N 2.98Å; G360-G363 PolarHBondContact O-N 3.32Å; G360-P364 WeakPolarHBondContact O-CD 3.48Å |
| 361 | L | 98.3 | Very high | 98.2 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -68.1 | -16.4 | 176.9 | -65.5 | 177.9 | 0 | 0 | 0 | 113.1 | L230 M237 V354 L355 Q358 P359 G363 P364 K365 | L230-L361 HydrophobicContact CD1-CD1 4.49Å; M237-L361 HydrophobicContact CB-CD2 4.46Å; M237-L361 HydrophobicContact CE-CD1 3.61Å; M237-L361 WeakPolarHBondContact O-CD2 3.37Å; V354-L361 HydrophobicContact CG1-CD1 4.06Å; L355-L361 HydrophobicContact CD2-CB 3.77Å; Q358-L361 HydrophobicContact CB-CD1 3.74Å; Q358-L361 HydrophobicContact CB-CG 3.93Å; Q358-L361 WeakPolarHBondContact O-CB 3.03Å; Q358-L361 PolarHBondContact O-N 2.67Å; P359-L361 PolarHBondContact O-N 3.26Å; L361-G363 PolarHBondContact O-N 3.39Å; L361-P364 WeakPolarHBondContact O-CD 3.25Å; L361-K365 HydrophobicContact CB-CG 4.45Å; L361-K365 WeakPolarHBondContact O-CA 3.32Å; L361-K365 VanDerWaalsContact O-CB 3.23Å; L361-K365 WeakPolarHBondContact O-CB 3.49Å; L361-K365 PolarHBondContact O-N 3.48Å |
| 362 | L | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -61.3 | -23.6 | 175 | -71.4 | 167.1 | 0 | 0 | 0 | 113 | L355 P359 G360 A366 V369 H416 Y420 M424 | L355-L362 HydrophobicContact CB-CD2 4.47Å; L355-L362 HydrophobicContact CD1-CD2 3.91Å; L355-L362 HydrophobicContact CD2-CD2 4.08Å; L355-L362 HydrophobicContact CD2-CG 4.25Å; L355-L362 HydrophobicContact CG-CD2 4.38Å; P359-L362 VanDerWaalsContact O-CB 3.3Å; P359-L362 WeakPolarHBondContact O-CB 3.42Å; P359-L362 WeakPolarHBondContact O-CG 3.38Å; P359-L362 PolarHBondContact O-N 2.95Å; G360-L362 PolarHBondContact O-N 2.98Å; L362-A366 WeakPolarHBondContact O-CA 3.33Å; L362-A366 WeakPolarHBondContact O-CB 3.46Å; L362-A366 PolarHBondContact O-N 2.93Å; L362-V369 HydrophobicContact CD2-CG2 3.89Å; L362-H416 HydrophobicContact CD1-CB 4.21Å; L362-Y420 HydrophobicContact CD1-CD2 3.72Å; L362-Y420 HydrophobicContact CD1-CG 4Å; L362-M424 HydrophobicContact CB-CG 3.83Å; L362-M424 HydrophobicContact CB-SD 4.32Å |
| 363 | G | 97.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -75.2 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | G360 L361 K365 A366 Y428 | G360-G363 PolarHBondContact O-N 3.32Å; L361-G363 PolarHBondContact O-N 3.39Å; G363-K365 VanDerWaalsContact C-N 3.25Å; G363-K365 PolarHBondContact O-N 3.49Å; G363-A366 PolarHBondContact O-N 3.34Å; G363-Y428 VanDerWaalsContact O-CE2 3.27Å; G363-Y428 WeakPolarHBondContact O-CE2 3.3Å; G363-Y428 PolarHBondContact O-OH 3.35Å |
| 364 | P | 97.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 5% | 0.052 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.8 | -176.1 | 25.1 | -34.2 | 0 | 0 | 0 | 114.2 | P240 A241 G360 L361 Y427 | P240-P364 CarbonylContact C-O 3.49Å; P240-P364 WeakPolarHBondContact CA-O 3.5Å; A241-P364 PolarHBondContact N-O 3.45Å; G360-P364 WeakPolarHBondContact O-CD 3.48Å; L361-P364 WeakPolarHBondContact O-CD 3.25Å; P364-Y427 HydrophobicContact CB-CE2 4.33Å |
| 365 | K | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 21.4 Ų | 21.4 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 16.7 | -175.8 | -51.8 | -61.3 | -178 | -173.2 | 0 | 114.1 | L230 T236 M237 N239 A241 L361 G363 L367 F368 | L230-K365 HydrophobicContact CD2-CB 4.06Å; L230-K365 HydrophobicContact CD2-CD 3.75Å; L230-K365 HydrophobicContact CD2-CG 3.67Å; T236-K365 PolarHBondContact O-NZ 3.47Å; M237-K365 WeakPolarHBondContact O-CE 3.38Å; N239-K365 WeakPolarHBondContact O-CE 3.35Å; N239-K365 PolarHBondContact O-NZ 3.45Å; A241-K365 HydrophobicContact CB-CD 4Å; L361-K365 HydrophobicContact CB-CG 4.45Å; L361-K365 WeakPolarHBondContact O-CA 3.32Å; L361-K365 VanDerWaalsContact O-CB 3.23Å; L361-K365 WeakPolarHBondContact O-CB 3.49Å; L361-K365 PolarHBondContact O-N 3.48Å; G363-K365 VanDerWaalsContact C-N 3.25Å; G363-K365 PolarHBondContact O-N 3.49Å; K365-L367 PolarHBondContact O-N 3.46Å; K365-L367 VanDerWaalsContact O-N 3.16Å; K365-F368 PolarHBondContact O-N 3.4Å |
| 366 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -49.7 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L362 G363 F368 V369 F370 M424 Y428 F519 M523 | L362-A366 WeakPolarHBondContact O-CA 3.33Å; L362-A366 WeakPolarHBondContact O-CB 3.46Å; L362-A366 PolarHBondContact O-N 2.93Å; G363-A366 PolarHBondContact O-N 3.34Å; A366-F368 VanDerWaalsContact C-N 3.3Å; A366-F368 PolarHBondContact O-N 3.15Å; A366-V369 WeakPolarHBondContact O-CB 3.48Å; A366-V369 PolarHBondContact O-N 3.32Å; A366-V369 VanDerWaalsContact O-N 3.08Å; A366-F370 HydrophobicContact CB-CE2 4.42Å; A366-F370 WeakPolarHBondContact O-CD2 3.27Å; A366-F370 PolarHBondContact O-N 2.91Å; A366-M424 HydrophobicContact CB-CE 3.6Å; A366-Y428 HydrophobicContact CB-CE2 3.76Å; A366-Y428 WeakPolarHBondContact CB-OH 3.33Å; A366-F519 HydrophobicContact CB-CZ 4.45Å; A366-M523 HydrophobicContact CB-CG 4.44Å; A366-M523 HydrophobicContact CB-SD 3.75Å |
| 367 | L | 98.5 | Very high | 98.3 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.3 | -42.9 | 179.8 | -175.2 | 65.3 | 0 | 0 | 0 | 112.6 | A241 M246 E249 Y250 K365 V369 F370 M371 F519 | A241-L367 HydrophobicContact CB-CB 4.38Å; A241-L367 WeakPolarHBondContact O-CD2 3.45Å; M246-L367 HydrophobicContact SD-CD1 4.07Å; M246-L367 HydrophobicContact SD-CD2 3.72Å; M246-L367 HydrophobicContact SD-CG 4.4Å; E249-L367 HydrophobicContact CB-CD1 4.14Å; E249-L367 HydrophobicContact CG-CD2 4.34Å; Y250-L367 HydrophobicContact CD1-CD1 4.06Å; K365-L367 PolarHBondContact O-N 3.46Å; K365-L367 VanDerWaalsContact O-N 3.16Å; L367-V369 VanDerWaalsContact C-N 3.26Å; L367-V369 PolarHBondContact O-N 3.28Å; L367-F370 PolarHBondContact O-N 3.43Å; L367-M371 HydrophobicContact CD1-CG 4.45Å; L367-M371 HydrophobicContact CD2-SD 4.17Å; L367-M371 HydrophobicContact CG-CG 4.24Å; L367-M371 HydrophobicContact CG-SD 3.8Å; L367-M371 WeakPolarHBondContact O-CB 3.48Å; L367-M371 VanDerWaalsContact O-CG 3.24Å; L367-M371 WeakPolarHBondContact O-CG 3.05Å; L367-M371 PolarHBondContact O-N 2.94Å; L367-F519 HydrophobicContact CB-CZ 4.34Å; L367-F519 HydrophobicContact CD1-CE2 4.34Å; L367-F519 HydrophobicContact CD1-CZ 4.15Å |
| 368 | F | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 15.7 Ų | 15.7 | 20% | 0.197 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.2 | -32.2 | -178.9 | -78.4 | 15.1 | 0 | 0 | 0 | 112 | L228 L230 A241 L351 K365 A366 M371 A372 | L228-F368 HydrophobicContact CD2-CB 4.17Å; L228-F368 HydrophobicContact CD2-CG 4.27Å; L230-F368 HydrophobicContact CD2-CD2 3.56Å; L230-F368 HydrophobicContact CD2-CE2 3.94Å; A241-F368 HydrophobicContact CB-CD1 3.76Å; A241-F368 HydrophobicContact CB-CE1 3.61Å; A241-F368 HydrophobicContact CB-CG 4.45Å; A241-F368 HydrophobicContact CB-CZ 4.18Å; L351-F368 HydrophobicContact CD1-CB 4.49Å; K365-F368 PolarHBondContact O-N 3.4Å; A366-F368 VanDerWaalsContact C-N 3.3Å; A366-F368 PolarHBondContact O-N 3.15Å; F368-M371 HydrophobicContact CD1-SD 3.96Å; F368-M371 HydrophobicContact CE1-SD 4.42Å; F368-A372 WeakPolarHBondContact O-CB 3.15Å; F368-A372 PolarHBondContact O-N 2.96Å |
| 369 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62 | -51.9 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | L355 L362 A366 L367 M371 A372 L373 L413 V417 | L355-V369 HydrophobicContact CD1-CG2 3.63Å; L362-V369 HydrophobicContact CD2-CG2 3.89Å; A366-V369 WeakPolarHBondContact O-CB 3.48Å; A366-V369 PolarHBondContact O-N 3.32Å; A366-V369 VanDerWaalsContact O-N 3.08Å; L367-V369 VanDerWaalsContact C-N 3.26Å; L367-V369 PolarHBondContact O-N 3.28Å; V369-M371 PolarHBondContact O-N 3.48Å; V369-A372 PolarHBondContact O-N 3.12Å; V369-L373 HydrophobicContact CG1-CD1 4.06Å; V369-L373 HydrophobicContact CG1-CG 4.49Å; V369-L373 WeakPolarHBondContact O-CB 3.19Å; V369-L373 VanDerWaalsContact O-CG 3.28Å; V369-L373 WeakPolarHBondContact O-CG 3.44Å; V369-L373 PolarHBondContact O-N 3.33Å; V369-L413 HydrophobicContact CG1-CB 4.18Å; V369-L413 HydrophobicContact CG1-CD2 4.46Å; V369-V417 HydrophobicContact CG1-CG2 3.86Å |
| 370 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -70.3 | -32.9 | -178 | -64.1 | -65.9 | 0 | 0 | 0 | 113.1 | Y250 A366 L367 L373 S374 M424 F519 M523 L527 M530 L531 T534 | Y250-F370 HydrophobicContact CD1-CB 4.45Å; Y250-F370 HydrophobicContact CG-CB 4.29Å; A366-F370 HydrophobicContact CB-CE2 4.42Å; A366-F370 WeakPolarHBondContact O-CD2 3.27Å; A366-F370 PolarHBondContact O-N 2.91Å; L367-F370 PolarHBondContact O-N 3.43Å; F370-L373 HydrophobicContact CD1-CD1 4.44Å; F370-S374 VanDerWaalsContact O-CB 3.25Å; F370-S374 WeakPolarHBondContact O-CB 3.45Å; F370-S374 PolarHBondContact O-N 3.47Å; F370-M424 HydrophobicContact CE2-CE 3.95Å; F370-M424 HydrophobicContact CZ-CE 4.25Å; F370-F519 HydrophobicContact CD2-CE2 4.24Å; F370-F519 HydrophobicContact CD2-CZ 4.28Å; F370-M523 HydrophobicContact CD2-CE 4.07Å; F370-M523 HydrophobicContact CD2-SD 4.05Å; F370-M523 HydrophobicContact CE2-CE 3.5Å; F370-M523 VanDerWaalsContact CE2-CE 3.5Å; F370-M523 HydrophobicContact CE2-SD 3.33Å; F370-M523 WeakPolarHBondContact CE2-SD 3.25Å; F370-M523 HydrophobicContact CZ-CE 3.91Å; F370-M523 HydrophobicContact CZ-SD 4.12Å; F370-L527 HydrophobicContact CZ-CD2 4.23Å; F370-M530 HydrophobicContact CB-CE 4.22Å; F370-M530 HydrophobicContact CD1-CB 4.08Å; F370-M530 HydrophobicContact CD1-CE 3.82Å; F370-M530 HydrophobicContact CD2-CE 4.16Å; F370-M530 HydrophobicContact CE1-CB 3.52Å; F370-M530 HydrophobicContact CE1-CE 4.24Å; F370-M530 HydrophobicContact CG-CE 3.77Å; F370-M530 HydrophobicContact CZ-CB 4Å; F370-L531 HydrophobicContact CE1-CD2 4.11Å; F370-T534 HydrophobicContact CB-CG2 4.19Å; F370-T534 HydrophobicContact CD1-CG2 4.2Å |
| 371 | M | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 8.8 Ų | 8.8 | 6% | 0.064 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.4 | -51 | 169.2 | -71.3 | 171.4 | 71.8 | 0 | 0 | 111.2 | L227 L228 E249 L367 F368 V369 L373 S374 F375 | L227-M371 HydrophobicContact CD1-CE 4.31Å; L228-M371 HydrophobicContact CD2-CB 3.84Å; L228-M371 HydrophobicContact CD2-CE 4.43Å; E249-M371 HydrophobicContact CB-CE 4.42Å; E249-M371 HydrophobicContact CB-CG 3.97Å; E249-M371 HydrophobicContact CB-SD 4.03Å; L367-M371 HydrophobicContact CD1-CG 4.45Å; L367-M371 HydrophobicContact CD2-SD 4.17Å; L367-M371 HydrophobicContact CG-CG 4.24Å; L367-M371 HydrophobicContact CG-SD 3.8Å; L367-M371 WeakPolarHBondContact O-CB 3.48Å; L367-M371 VanDerWaalsContact O-CG 3.24Å; L367-M371 WeakPolarHBondContact O-CG 3.05Å; L367-M371 PolarHBondContact O-N 2.94Å; F368-M371 HydrophobicContact CD1-SD 3.96Å; F368-M371 HydrophobicContact CE1-SD 4.42Å; V369-M371 PolarHBondContact O-N 3.48Å; M371-L373 PolarHBondContact O-N 3.3Å; M371-S374 PolarHBondContact O-N 3.32Å; M371-F375 HydrophobicContact CB-CE1 4.19Å; M371-F375 HydrophobicContact CB-CE2 4.18Å; M371-F375 HydrophobicContact CB-CZ 3.83Å; M371-F375 HydrophobicContact CE-CE2 4.12Å; M371-F375 HydrophobicContact CE-CZ 3.77Å; M371-F375 HydrophobicContact CG-CZ 4.22Å; M371-F375 WeakPolarHBondContact O-CD1 3.32Å; M371-F375 WeakPolarHBondContact O-CE1 3.32Å; M371-F375 WeakPolarHBondContact O-CG 3.46Å; M371-F375 PolarHBondContact O-N 3.5Å |
| 372 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L228 L348 L351 F368 V369 F375 A376 L413 | L228-A372 HydrophobicContact CD1-CB 3.79Å; L228-A372 HydrophobicContact CD2-CB 4.27Å; L348-A372 HydrophobicContact CD1-CB 3.85Å; L348-A372 HydrophobicContact CG-CB 4.05Å; L351-A372 HydrophobicContact CD2-CB 3.65Å; F368-A372 WeakPolarHBondContact O-CB 3.15Å; F368-A372 PolarHBondContact O-N 2.96Å; V369-A372 PolarHBondContact O-N 3.12Å; A372-F375 PolarHBondContact O-N 2.93Å; A372-A376 WeakPolarHBondContact O-CB 3.4Å; A372-A376 PolarHBondContact O-N 2.92Å; A372-L413 HydrophobicContact CB-CD1 4.01Å |
| 373 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 175.6 | -76.4 | 179.4 | 0 | 0 | 0 | 111.7 | V369 F370 M371 F375 A376 R377 M410 L413 R414 L531 T534 | V369-L373 HydrophobicContact CG1-CD1 4.06Å; V369-L373 HydrophobicContact CG1-CG 4.49Å; V369-L373 WeakPolarHBondContact O-CB 3.19Å; V369-L373 VanDerWaalsContact O-CG 3.28Å; V369-L373 WeakPolarHBondContact O-CG 3.44Å; V369-L373 PolarHBondContact O-N 3.33Å; F370-L373 HydrophobicContact CD1-CD1 4.44Å; M371-L373 PolarHBondContact O-N 3.3Å; L373-F375 PolarHBondContact O-N 2.85Å; L373-A376 PolarHBondContact O-N 3.34Å; L373-R377 VanDerWaalsContact O-CB 3.29Å; L373-R377 WeakPolarHBondContact O-CB 3.42Å; L373-R377 PolarHBondContact O-N 3.31Å; L373-M410 HydrophobicContact CD2-CB 3.94Å; L373-M410 HydrophobicContact CD2-CG 4.29Å; L373-L413 HydrophobicContact CD2-CB 4.03Å; L373-L413 HydrophobicContact CD2-CD1 4.34Å; L373-L413 HydrophobicContact CG-CB 4.42Å; L373-L413 HydrophobicContact CG-CD1 4.47Å; L373-R414 HydrophobicContact CD1-CG 4.38Å; L373-R414 HydrophobicContact CD2-CG 4.11Å; L373-L531 HydrophobicContact CD1-CD2 3.73Å; L373-T534 CarbonylContact C-O 3.21Å; L373-T534 VanDerWaalsContact C-O 3.22Å |
| 374 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 179.4 | -174.3 | 0 | 0 | 0 | 0 | 112 | Y250 F370 M371 A376 R377 D378 T534 | Y250-S374 VanDerWaalsContact O-CB 3.25Å; Y250-S374 WeakPolarHBondContact O-CB 3.09Å; Y250-S374 PolarHBondContact O-OG 3.49Å; F370-S374 VanDerWaalsContact O-CB 3.25Å; F370-S374 WeakPolarHBondContact O-CB 3.45Å; F370-S374 PolarHBondContact O-N 3.47Å; M371-S374 PolarHBondContact O-N 3.32Å; S374-A376 PolarHBondContact O-N 3.09Å; S374-R377 PolarHBondContact O-N 3.02Å; S374-D378 WeakPolarHBondContact O-CB 3.43Å; S374-D378 PolarHBondContact O-N 3.28Å; S374-T534 VanDerWaalsContact CA-O 3.25Å; S374-T534 WeakPolarHBondContact CA-O 3.29Å; S374-T534 PolarHBondContact N-O 2.62Å |
| 375 | F | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 8.7 Ų | 8.7 | 5% | 0.048 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | -177 | -59.6 | -2.1 | 0 | 0 | 0 | 111.3 | R215 L227 L228 E249 L344 M371 A372 L373 E379 | R215-F375 VanDerWaalsContact NE-CE1 3.29Å; L227-F375 HydrophobicContact CD2-CD2 4.4Å; L227-F375 HydrophobicContact CD2-CE2 3.95Å; L227-F375 HydrophobicContact CG-CE2 4.46Å; L228-F375 HydrophobicContact CD1-CD2 4.31Å; E249-F375 WeakPolarHBondContact O-CE1 3.36Å; L344-F375 HydrophobicContact CD1-CB 4.13Å; L344-F375 HydrophobicContact CD2-CB 3.93Å; L344-F375 HydrophobicContact CD2-CD2 4.44Å; M371-F375 HydrophobicContact CB-CE1 4.19Å; M371-F375 HydrophobicContact CB-CE2 4.18Å; M371-F375 HydrophobicContact CB-CZ 3.83Å; M371-F375 HydrophobicContact CE-CE2 4.12Å; M371-F375 HydrophobicContact CE-CZ 3.77Å; M371-F375 HydrophobicContact CG-CZ 4.22Å; M371-F375 WeakPolarHBondContact O-CD1 3.32Å; M371-F375 WeakPolarHBondContact O-CE1 3.32Å; M371-F375 WeakPolarHBondContact O-CG 3.46Å; M371-F375 PolarHBondContact O-N 3.5Å; A372-F375 PolarHBondContact O-N 2.93Å; L373-F375 PolarHBondContact O-N 2.85Å; F375-E379 WeakPolarHBondContact O-CG 3.45Å; F375-E379 PolarHBondContact O-N 3.17Å |
| 376 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L348 A372 L373 S374 D378 E379 I380 L406 M410 | L348-A376 HydrophobicContact CD2-CB 3.68Å; A372-A376 WeakPolarHBondContact O-CB 3.4Å; A372-A376 PolarHBondContact O-N 2.92Å; L373-A376 PolarHBondContact O-N 3.34Å; S374-A376 PolarHBondContact O-N 3.09Å; A376-D378 PolarHBondContact O-N 2.71Å; A376-E379 PolarHBondContact O-N 3.23Å; A376-I380 WeakPolarHBondContact O-CD1 3.26Å; A376-I380 VanDerWaalsContact O-CG1 3.27Å; A376-I380 WeakPolarHBondContact O-CG1 3.27Å; A376-I380 PolarHBondContact O-N 2.93Å; A376-L406 HydrophobicContact CB-CD1 3.89Å; A376-L406 HydrophobicContact CB-CD2 4.46Å; A376-L406 HydrophobicContact CB-CG 4.21Å; A376-M410 HydrophobicContact CB-CE 4.29Å; A376-M410 HydrophobicContact CB-CG 3.75Å; A376-M410 HydrophobicContact CB-SD 3.5Å; A376-M410 WeakPolarHBondContact CB-SD 3.39Å |
| 377 | R | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 9.2 Ų | 9.2 | 12% | 0.117 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.2 | -49.1 | 176.1 | -169.8 | -78.7 | -59 | -72.8 | -8.2 | 111 | L373 S374 E379 I380 I381 M410 E533 T534 D536 L537 | L373-R377 VanDerWaalsContact O-CB 3.29Å; L373-R377 WeakPolarHBondContact O-CB 3.42Å; L373-R377 PolarHBondContact O-N 3.31Å; S374-R377 PolarHBondContact O-N 3.02Å; R377-E379 VanDerWaalsContact C-N 3.33Å; R377-E379 PolarHBondContact O-N 3.08Å; R377-I380 PolarHBondContact O-N 2.85Å; R377-I380 VanDerWaalsContact O-N 3.16Å; R377-I381 PolarHBondContact O-N 3.46Å; R377-M410 HydrophobicContact CB-CE 3.89Å; R377-E533 PolarHBondContact NH1-O 2.95Å; R377-E533 PolarHBondContact NH2-O 3.45Å; R377-T534 WeakPolarHBondContact CB-O 3.37Å; R377-D536 VanDerWaalsContact CG-O 3.32Å; R377-D536 WeakPolarHBondContact CG-O 3.4Å; R377-L537 HydrophobicContact CG-CD2 3.93Å; R377-L537 HydrophobicContact CG-CG 4.36Å |
| 378 | D | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 13.5 Ų | 13.5 | 5% | 0.048 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | -179.1 | -70 | -13.3 | 0 | 0 | 0 | 111.9 | S252 L253 S374 A376 I380 I381 W382 | S252-D378 WeakPolarHBondContact CA-OD2 3.26Å; S252-D378 PolarHBondContact OG-OD1 2.88Å; S252-D378 PolarHBondContact OG-OD2 3.23Å; L253-D378 WeakPolarHBondContact CB-OD2 3.37Å; L253-D378 PolarHBondContact N-OD2 3.44Å; S374-D378 WeakPolarHBondContact O-CB 3.43Å; S374-D378 PolarHBondContact O-N 3.28Å; A376-D378 PolarHBondContact O-N 2.71Å; D378-I380 VanDerWaalsContact C-N 3.35Å; D378-I380 PolarHBondContact O-N 3.38Å; D378-I381 VanDerWaalsContact O-CG1 3.29Å; D378-I381 WeakPolarHBondContact O-CG1 3.38Å; D378-W382 VanDerWaalsContact O-CB 3.24Å; D378-W382 WeakPolarHBondContact O-CB 3.34Å; D378-W382 PolarHBondContact O-N 2.88Å |
| 379 | E | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.019 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.1 | -31.7 | 177.6 | -69.7 | -61.6 | 137.7 | 0 | 0 | 113.4 | H337 R340 R341 L344 F375 A376 R377 L383 | H337-E379 WeakPolarHBondContact CA-OE2 3.35Å; H337-E379 WeakPolarHBondContact CB-OE2 3.46Å; H337-E379 IonicContact CE1-OE1 2.84Å; H337-E379 PolarHBondContact CE1-OE1 3.03Å; H337-E379 IonicContact CE1-OE2 3.17Å; H337-E379 IonicContact CG-OE2 2.67Å; H337-E379 IonicContact ND1-OE1 3.06Å; H337-E379 PolarHBondContact ND1-OE1 3.16Å; H337-E379 IonicContact ND1-OE2 3.33Å; H337-E379 PolarHBondContact ND1-OE2 3.36Å; R340-E379 HydrophobicContact CB-CG 4.16Å; R340-E379 WeakPolarHBondContact CD-OE1 3.31Å; R340-E379 IonicContact CZ-OE1 2.66Å; R340-E379 IonicContact NE-OE1 2.89Å; R340-E379 IonicContact NH1-OE1 2.83Å; R340-E379 PolarHBondContact NH1-OE1 3.34Å; R340-E379 VanDerWaalsContact NH1-OE1 3.1Å; R341-E379 HydrophobicContact CG-CB 3.79Å; R341-E379 HydrophobicContact CG-CG 4.43Å; L344-E379 HydrophobicContact CD1-CB 4.42Å; L344-E379 HydrophobicContact CD1-CG 3.79Å; F375-E379 WeakPolarHBondContact O-CG 3.45Å; F375-E379 PolarHBondContact O-N 3.17Å; A376-E379 PolarHBondContact O-N 3.23Å; R377-E379 VanDerWaalsContact C-N 3.33Å; R377-E379 PolarHBondContact O-N 3.08Å; E379-L383 WeakPolarHBondContact O-CB 3.35Å; E379-L383 PolarHBondContact O-N 3.32Å; E379-L383 VanDerWaalsContact O-N 3.09Å |
| 380 | I | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.7 | -51.1 | 175.8 | -68.8 | 161.7 | 0 | 0 | 0 | 110.3 | A376 R377 D378 W382 L383 L384 I403 L406 I407 M410 L537 F540 | A376-I380 WeakPolarHBondContact O-CD1 3.26Å; A376-I380 VanDerWaalsContact O-CG1 3.27Å; A376-I380 WeakPolarHBondContact O-CG1 3.27Å; A376-I380 PolarHBondContact O-N 2.93Å; R377-I380 PolarHBondContact O-N 2.85Å; R377-I380 VanDerWaalsContact O-N 3.16Å; D378-I380 VanDerWaalsContact C-N 3.35Å; D378-I380 PolarHBondContact O-N 3.38Å; I380-W382 VanDerWaalsContact C-N 3.28Å; I380-W382 PolarHBondContact O-N 3.15Å; I380-L383 PolarHBondContact O-N 3.18Å; I380-L384 WeakPolarHBondContact O-CB 3.49Å; I380-L384 PolarHBondContact O-N 3.45Å; I380-I403 HydrophobicContact CG1-CD1 3.98Å; I380-L406 HydrophobicContact CD1-CD2 4.25Å; I380-L406 HydrophobicContact CD1-CG 4.44Å; I380-L406 HydrophobicContact CG1-CD2 4.02Å; I380-I407 HydrophobicContact CD1-CG1 3.78Å; I380-M410 HydrophobicContact CD1-CE 4.34Å; I380-M410 HydrophobicContact CD1-SD 3.42Å; I380-M410 WeakPolarHBondContact CD1-SD 3.16Å; I380-L537 HydrophobicContact CB-CD2 4.18Å; I380-L537 HydrophobicContact CD1-CD1 3.93Å; I380-L537 HydrophobicContact CD1-CD2 4.41Å; I380-L537 HydrophobicContact CG2-CD2 3.78Å; I380-F540 HydrophobicContact CG2-CE2 3.93Å; I380-F540 HydrophobicContact CG2-CZ 3.81Å |
| 381 | I | 98.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 24.3 Ų | 24.3 | 14% | 0.144 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -33.6 | -178.5 | 66.2 | 176.8 | 0 | 0 | 0 | 111.6 | D254 R377 D378 L384 R385 L537 I539 | D254-I381 HydrophobicContact CB-CD1 3.89Å; R377-I381 PolarHBondContact O-N 3.46Å; D378-I381 VanDerWaalsContact O-CG1 3.29Å; D378-I381 WeakPolarHBondContact O-CG1 3.38Å; I381-L384 PolarHBondContact O-N 3.35Å; I381-R385 PolarHBondContact O-N 2.66Å; I381-L537 HydrophobicContact CG2-CD2 4.15Å; I381-I539 HydrophobicContact CG2-CG2 3.96Å |
| 382 | W | 98.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.6 | -50.2 | 171.1 | -172.5 | 102.4 | 0 | 0 | 0 | 111.6 | S287 S288 A333 H337 D378 I380 L384 R385 H386 F398 | S287-W382 PolarHBondContact O-NE1 2.94Å; S288-W382 PolarHBondContact OG-NE1 3.27Å; A333-W382 HydrophobicContact CB-CH2 4.49Å; A333-W382 HydrophobicContact CB-CZ2 3.98Å; H337-W382 HydrophobicContact CB-CD2 4.16Å; H337-W382 HydrophobicContact CB-CE3 3.65Å; H337-W382 HydrophobicContact CB-CH2 4Å; H337-W382 HydrophobicContact CB-CZ2 4.44Å; H337-W382 HydrophobicContact CB-CZ3 3.57Å; H337-W382 AromaticContact CD2-CD2 3.64Å; H337-W382 AromaticContact CD2-CE2 3.21Å; H337-W382 AromaticContact CD2-CE3 3.97Å; H337-W382 AromaticContact CD2-CH2 3.65Å; H337-W382 AromaticContact CD2-CZ2 3.24Å; H337-W382 WeakPolarHBondContact CD2-CZ2 3.46Å; H337-W382 AromaticContact CD2-CZ3 3.99Å; H337-W382 AromaticContact CD2-NE1 3.62Å; H337-W382 AromaticContact CE1-CD1 3.57Å; H337-W382 AromaticContact CE1-CD2 3.86Å; H337-W382 AromaticContact CE1-CE2 3.83Å; H337-W382 AromaticContact CE1-CG 3.76Å; H337-W382 AromaticContact CE1-NE1 3.61Å; H337-W382 AromaticContact CG-CD2 3.58Å; H337-W382 AromaticContact CG-CE2 3.69Å; H337-W382 AromaticContact CG-CE3 3.61Å; H337-W382 AromaticContact CG-CH2 3.96Å; H337-W382 AromaticContact CG-CZ2 3.9Å; H337-W382 AromaticContact CG-CZ3 3.82Å; H337-W382 AromaticContact ND1-CD2 3.73Å; H337-W382 AromaticContact ND1-CG 3.88Å; H337-W382 AromaticContact NE2-CD1 3.67Å; H337-W382 AromaticContact NE2-CD2 3.84Å; H337-W382 AromaticContact NE2-CE2 3.35Å; H337-W382 VanDerWaalsContact NE2-CE2 3.35Å; H337-W382 AromaticContact NE2-CZ2 3.79Å; H337-W382 AromaticContact NE2-NE1 3.2Å; H337-W382 PolarHBondContact NE2-NE1 2.97Å; H337-W382 VanDerWaalsContact NE2-NE1 3.2Å; D378-W382 VanDerWaalsContact O-CB 3.24Å; D378-W382 WeakPolarHBondContact O-CB 3.34Å; D378-W382 PolarHBondContact O-N 2.88Å; I380-W382 VanDerWaalsContact C-N 3.28Å; I380-W382 PolarHBondContact O-N 3.15Å; W382-L384 VanDerWaalsContact C-N 3.31Å; W382-L384 PolarHBondContact O-N 2.95Å; W382-R385 VanDerWaalsContact CA-NH1 3.33Å; W382-R385 WeakPolarHBondContact O-CG 3.26Å; W382-H386 AromaticContact CD1-CE1 3.6Å; W382-H386 AromaticContact CD1-ND1 3.93Å; W382-H386 AromaticContact CD2-CE1 3.78Å; W382-H386 AromaticContact CD2-ND1 3.49Å; W382-H386 AromaticContact CE2-CE1 3.27Å; W382-H386 AromaticContact CE2-CG 3.94Å; W382-H386 AromaticContact CE2-ND1 3.41Å; W382-H386 AromaticContact CE2-NE2 3.73Å; W382-H386 HydrophobicContact CE3-CB 4.49Å; W382-H386 AromaticContact CG-CE1 3.94Å; W382-H386 AromaticContact CG-ND1 3.8Å; W382-H386 HydrophobicContact CH2-CB 4.36Å; W382-H386 AromaticContact CZ2-CD2 3.78Å; W382-H386 AromaticContact CZ2-CE1 3.73Å; W382-H386 AromaticContact CZ2-CG 3.89Å; W382-H386 AromaticContact CZ2-ND1 3.84Å; W382-H386 AromaticContact CZ2-NE2 3.71Å; W382-H386 HydrophobicContact CZ3-CB 4.27Å; W382-H386 AromaticContact NE1-CE1 3.17Å; W382-H386 PolarHBondContact NE1-CE1 2.97Å; W382-H386 AromaticContact NE1-ND1 3.71Å; W382-H386 AromaticContact NE1-NE2 3.79Å; W382-H386 WeakPolarHBondContact O-CB 3.48Å; W382-H386 PolarHBondContact O-N 3.31Å; W382-H386 PolarHBondContact O-ND1 3.02Å; W382-F398 HydrophobicContact CH2-CD1 4.39Å; W382-F398 AromaticContact CH2-CE1 3.82Å; W382-F398 HydrophobicContact CH2-CE1 3.82Å; W382-F398 HydrophobicContact CZ3-CD1 4.17Å; W382-F398 HydrophobicContact CZ3-CE1 4.07Å |
| 383 | L | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 178.7 | 176.8 | 62.6 | 0 | 0 | 0 | 111.2 | E379 I380 R385 H386 A387 F398 D400 I403 | E379-L383 WeakPolarHBondContact O-CB 3.35Å; E379-L383 PolarHBondContact O-N 3.32Å; E379-L383 VanDerWaalsContact O-N 3.09Å; I380-L383 PolarHBondContact O-N 3.18Å; L383-R385 PolarHBondContact O-N 3.34Å; L383-H386 PolarHBondContact O-N 3.45Å; L383-A387 VanDerWaalsContact O-CB 3.22Å; L383-A387 WeakPolarHBondContact O-CB 3.41Å; L383-A387 PolarHBondContact O-N 3.29Å; L383-F398 HydrophobicContact CD1-CB 4.05Å; L383-D400 HydrophobicContact CD2-CB 3.9Å; L383-I403 HydrophobicContact CD2-CD1 4.17Å |
| 384 | L | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -50.5 | -174.1 | -164.5 | 62.4 | 0 | 0 | 0 | 111.8 | I380 I381 W382 H386 I539 F540 Y543 A546 M550 | I380-L384 WeakPolarHBondContact O-CB 3.49Å; I380-L384 PolarHBondContact O-N 3.45Å; I381-L384 PolarHBondContact O-N 3.35Å; W382-L384 VanDerWaalsContact C-N 3.31Å; W382-L384 PolarHBondContact O-N 2.95Å; L384-H386 PolarHBondContact O-N 3.34Å; L384-I539 HydrophobicContact CD2-CG1 4.09Å; L384-I539 HydrophobicContact CD2-CG2 3.93Å; L384-F540 HydrophobicContact CD1-CD1 4.25Å; L384-F540 HydrophobicContact CD1-CE1 3.8Å; L384-F540 HydrophobicContact CD2-CD1 4.11Å; L384-F540 HydrophobicContact CD2-CE1 4.09Å; L384-Y543 HydrophobicContact CD1-CD1 4.19Å; L384-Y543 HydrophobicContact CD1-CG 4.02Å; L384-Y543 HydrophobicContact CD2-CD1 4.37Å; L384-Y543 HydrophobicContact CD2-CD2 3.46Å; L384-Y543 VanDerWaalsContact CD2-CD2 3.46Å; L384-Y543 HydrophobicContact CD2-CE2 4.09Å; L384-Y543 HydrophobicContact CD2-CG 3.61Å; L384-Y543 HydrophobicContact CG-CD1 3.81Å; L384-Y543 HydrophobicContact CG-CD2 3.78Å; L384-Y543 HydrophobicContact CG-CE1 4.25Å; L384-Y543 HydrophobicContact CG-CE2 4.2Å; L384-Y543 HydrophobicContact CG-CG 3.55Å; L384-A546 HydrophobicContact CD1-CB 3.78Å; L384-M550 HydrophobicContact CD1-CE 4.14Å |
| 385 | R | 97.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -35.3 | 179.5 | 72.3 | 179.1 | 179 | -98.5 | 5.3 | 112.9 | D254 E257 S288 C290 V298 I381 W382 L383 N389 | D254-R385 IonicContact OD1-CZ 2.92Å; D254-R385 IonicContact OD1-NH1 2.69Å; D254-R385 PolarHBondContact OD1-NH1 2.8Å; D254-R385 IonicContact OD1-NH2 2.7Å; D254-R385 PolarHBondContact OD1-NH2 3.15Å; E257-R385 IonicContact OE2-NH2 3.97Å; S288-R385 PolarHBondContact OG-NH2 3.34Å; C290-R385 PolarHBondContact O-NE 3.41Å; V298-R385 HydrophobicContact CG1-CB 4.05Å; I381-R385 PolarHBondContact O-N 2.66Å; W382-R385 VanDerWaalsContact CA-NH1 3.33Å; W382-R385 WeakPolarHBondContact O-CG 3.26Å; L383-R385 PolarHBondContact O-N 3.34Å; R385-N389 WeakPolarHBondContact O-CB 3.47Å; R385-N389 PolarHBondContact O-N 2.89Å; R385-N389 PolarHBondContact O-ND2 2.95Å |
| 386 | H | 97.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.9 | -36.5 | -178.6 | -74.1 | 83.9 | 0 | 0 | 0 | 112 | T289 W382 L383 L384 D388 N389 I390 F398 | T289-H386 PolarHBondContact N-NE2 3.1Å; T289-H386 VanDerWaalsContact N-NE2 3.13Å; T289-H386 PolarHBondContact OG1-CD2 3.42Å; T289-H386 PolarHBondContact OG1-NE2 2.94Å; W382-H386 AromaticContact CD1-CE1 3.6Å; W382-H386 AromaticContact CD1-ND1 3.93Å; W382-H386 AromaticContact CD2-CE1 3.78Å; W382-H386 AromaticContact CD2-ND1 3.49Å; W382-H386 AromaticContact CE2-CE1 3.27Å; W382-H386 AromaticContact CE2-CG 3.94Å; W382-H386 AromaticContact CE2-ND1 3.41Å; W382-H386 AromaticContact CE2-NE2 3.73Å; W382-H386 HydrophobicContact CE3-CB 4.49Å; W382-H386 AromaticContact CG-CE1 3.94Å; W382-H386 AromaticContact CG-ND1 3.8Å; W382-H386 HydrophobicContact CH2-CB 4.36Å; W382-H386 AromaticContact CZ2-CD2 3.78Å; W382-H386 AromaticContact CZ2-CE1 3.73Å; W382-H386 AromaticContact CZ2-CG 3.89Å; W382-H386 AromaticContact CZ2-ND1 3.84Å; W382-H386 AromaticContact CZ2-NE2 3.71Å; W382-H386 HydrophobicContact CZ3-CB 4.27Å; W382-H386 AromaticContact NE1-CE1 3.17Å; W382-H386 PolarHBondContact NE1-CE1 2.97Å; W382-H386 AromaticContact NE1-ND1 3.71Å; W382-H386 AromaticContact NE1-NE2 3.79Å; W382-H386 WeakPolarHBondContact O-CB 3.48Å; W382-H386 PolarHBondContact O-N 3.31Å; W382-H386 PolarHBondContact O-ND1 3.02Å; L383-H386 PolarHBondContact O-N 3.45Å; L384-H386 PolarHBondContact O-N 3.34Å; H386-D388 VanDerWaalsContact C-N 3.27Å; H386-D388 PolarHBondContact O-N 3.17Å; H386-N389 PolarHBondContact O-N 2.86Å; H386-I390 HydrophobicContact CB-CG1 4.38Å; H386-I390 VanDerWaalsContact O-CB 3.32Å; H386-I390 WeakPolarHBondContact O-CB 3.28Å; H386-I390 WeakPolarHBondContact O-CG1 3.44Å; H386-I390 PolarHBondContact O-N 3.13Å; H386-F398 HydrophobicContact CB-CD1 3.89Å; H386-F398 HydrophobicContact CB-CE1 3.88Å |
| 387 | A | 95.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 19% | 0.19 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -35.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L383 F398 | L383-A387 VanDerWaalsContact O-CB 3.22Å; L383-A387 WeakPolarHBondContact O-CB 3.41Å; L383-A387 PolarHBondContact O-N 3.29Å; A387-F398 HydrophobicContact CB-CB 3.79Å |
| 388 | D | 93.6 | Very high | 92.5 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -88 | -23.4 | -177.7 | -84.6 | 12.5 | 0 | 0 | 0 | 113.7 | H386 Y543 | H386-D388 VanDerWaalsContact C-N 3.27Å; H386-D388 PolarHBondContact O-N 3.17Å; D388-Y543 HydrophobicContact CB-CE1 4.13Å; D388-Y543 VanDerWaalsContact OD2-CD1 3.24Å; D388-Y543 WeakPolarHBondContact OD2-CD1 3.44Å; D388-Y543 WeakPolarHBondContact OD2-CE1 3.5Å |
| 389 | N | 93.7 | Very high | 92.3 | Very high | 59 Ų | 59 | 50.7 Ų | 50.7 | 32% | 0.316 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -114.5 | -8.8 | -170 | -66.6 | -82 | 0 | 0 | 0 | 115 | V298 R385 H386 | V298-N389 HydrophobicContact CG2-CB 4.21Å; V298-N389 VanDerWaalsContact CG2-OD1 3.32Å; V298-N389 WeakPolarHBondContact CG2-OD1 3.43Å; R385-N389 WeakPolarHBondContact O-CB 3.47Å; R385-N389 PolarHBondContact O-N 2.89Å; R385-N389 PolarHBondContact O-ND2 2.95Å; H386-N389 PolarHBondContact O-N 2.86Å |
| 390 | I | 91.8 | Very high | 92.2 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -110.8 | 134.8 | -177.8 | -57 | -59.9 | 0 | 0 | 0 | 111.4 | T289 L330 H386 K392 F398 | T289-I390 WeakPolarHBondContact OG1-CD1 3.3Å; T289-I390 WeakPolarHBondContact OG1-CG1 3.4Å; L330-I390 HydrophobicContact CD2-CG2 4.49Å; H386-I390 HydrophobicContact CB-CG1 4.38Å; H386-I390 VanDerWaalsContact O-CB 3.32Å; H386-I390 WeakPolarHBondContact O-CB 3.28Å; H386-I390 WeakPolarHBondContact O-CG1 3.44Å; H386-I390 PolarHBondContact O-N 3.13Å; I390-K392 PolarHBondContact O-N 3.31Å; I390-F398 HydrophobicContact CB-CE2 4.09Å; I390-F398 HydrophobicContact CB-CZ 4.3Å; I390-F398 HydrophobicContact CG2-CE2 3.79Å; I390-F398 HydrophobicContact CG2-CZ 3.98Å |
| 391 | Q | 84.9 | Confident | 92.1 | Very high | 184 Ų | 184 | 55.9 Ų | 55.9 | 86% | 0.86 | 29% | 0.285 | S | S | * | . | trans | -66.9 | 128.8 | 172.8 | -71.7 | -177.1 | -8.5 | 0 | 0 | 110.4 | ||||
| 392 | K | 85.3 | Confident | 92 | Very high | 93 Ų | 93 | 58 Ų | 58 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | trans | -75 | 131.9 | -178.7 | -62.1 | -175.6 | 178 | -168.4 | 0 | 110.7 | I390 D397 | I390-K392 PolarHBondContact O-N 3.31Å; K392-D397 HydrophobicContact CB-CB 4.2Å; K392-D397 WeakPolarHBondContact CE-O 3.48Å; K392-D397 HydrophobicContact CG-CB 4.28Å | ||
| 393 | K | 81 | Confident | 92 | Very high | 147 Ų | 147 | 57.8 Ų | 57.8 | 64% | 0.639 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -85.2 | -35.4 | 171.1 | -65.7 | 176.2 | 173.4 | 173.1 | 0 | 110.6 | L330 D397 | L330-K393 PolarHBondContact O-NZ 3.37Å; K393-D397 WeakPolarHBondContact CA-OD2 3.46Å; K393-D397 WeakPolarHBondContact CB-OD2 3.5Å; K393-D397 PolarHBondContact N-OD2 3.31Å |
| 394 | S | 83.9 | Confident | 92 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 37% | 0.371 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -125.1 | 159.3 | 174.3 | 86.7 | 0 | 0 | 0 | 0 | 111.6 | D396 D397 | S394-D396 PolarHBondContact O-N 3.33Å; S394-D397 PolarHBondContact N-OD2 3.3Å; S394-D397 WeakPolarHBondContact O-CB 3.48Å; S394-D397 PolarHBondContact O-N 2.99Å; S394-D397 VanDerWaalsContact O-N 3.17Å; S394-D397 VanDerWaalsContact OG-CG 3.23Å; S394-D397 PolarHBondContact OG-N 3.17Å; S394-D397 PolarHBondContact OG-OD1 3.31Å |
| 395 | T | 80.9 | Confident | 92.1 | Very high | 119 Ų | 119 | 59.1 Ų | 59.1 | 73% | 0.73 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.9 | -180 | 45.4 | 0 | 0 | 0 | 0 | 113.7 | I399 | T395-I399 VanDerWaalsContact O-CD1 3.28Å; T395-I399 WeakPolarHBondContact O-CD1 3.37Å |
| 396 | D | 84.4 | Confident | 92.1 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.2 | -179.1 | -63.9 | -43.2 | 0 | 0 | 0 | 113.4 | R338 S394 F398 I399 | R338-D396 PolarHBondContact NH2-O 3.24Å; S394-D396 PolarHBondContact O-N 3.33Å; D396-F398 PolarHBondContact O-N 2.71Å; D396-I399 PolarHBondContact O-N 3.43Å |
| 397 | D | 88.6 | Confident | 92.2 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 17% | 0.166 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 131.5 | 178.1 | -72.4 | -5.5 | 0 | 0 | 0 | 110.8 | K392 K393 S394 I399 | K392-D397 HydrophobicContact CB-CB 4.2Å; K392-D397 WeakPolarHBondContact CE-O 3.48Å; K392-D397 HydrophobicContact CG-CB 4.28Å; K393-D397 WeakPolarHBondContact CA-OD2 3.46Å; K393-D397 WeakPolarHBondContact CB-OD2 3.5Å; K393-D397 PolarHBondContact N-OD2 3.31Å; S394-D397 PolarHBondContact N-OD2 3.3Å; S394-D397 WeakPolarHBondContact O-CB 3.48Å; S394-D397 PolarHBondContact O-N 2.99Å; S394-D397 VanDerWaalsContact O-N 3.17Å; S394-D397 VanDerWaalsContact OG-CG 3.23Å; S394-D397 PolarHBondContact OG-N 3.17Å; S394-D397 PolarHBondContact OG-OD1 3.31Å; D397-I399 PolarHBondContact O-N 2.88Å |
| 398 | F | 93.6 | Very high | 92.4 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26.6 | -179.8 | -47 | -78.1 | 0 | 0 | 0 | 114.4 | W382 L383 H386 A387 I390 D396 | W382-F398 HydrophobicContact CH2-CD1 4.39Å; W382-F398 AromaticContact CH2-CE1 3.82Å; W382-F398 HydrophobicContact CH2-CE1 3.82Å; W382-F398 HydrophobicContact CZ3-CD1 4.17Å; W382-F398 HydrophobicContact CZ3-CE1 4.07Å; L383-F398 HydrophobicContact CD1-CB 4.05Å; H386-F398 HydrophobicContact CB-CD1 3.89Å; H386-F398 HydrophobicContact CB-CE1 3.88Å; A387-F398 HydrophobicContact CB-CB 3.79Å; I390-F398 HydrophobicContact CB-CE2 4.09Å; I390-F398 HydrophobicContact CB-CZ 4.3Å; I390-F398 HydrophobicContact CG2-CE2 3.79Å; I390-F398 HydrophobicContact CG2-CZ 3.98Å; D396-F398 PolarHBondContact O-N 2.71Å |
| 399 | I | 94.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | trans | -111.1 | 125.2 | 169.4 | -56.9 | -178.7 | 0 | 0 | 0 | 108.2 | T395 D396 D397 K401 | T395-I399 VanDerWaalsContact O-CD1 3.28Å; T395-I399 WeakPolarHBondContact O-CD1 3.37Å; D396-I399 PolarHBondContact O-N 3.43Å; D397-I399 PolarHBondContact O-N 2.88Å; I399-K401 HydrophobicContact CG2-CG 4.29Å | ||
| 400 | D | 96.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | trans | -122.6 | 100.3 | 171.1 | -165.6 | -18.1 | 0 | 0 | 0 | 109.7 | R341 R345 L383 H402 I403 | R341-D400 IonicContact CZ-OD2 2.89Å; R341-D400 IonicContact NE-OD2 3.74Å; R341-D400 PolarHBondContact NE-OD2 2.86Å; R341-D400 IonicContact NH2-OD2 2.7Å; R345-D400 IonicContact CZ-OD1 2.72Å; R345-D400 IonicContact CZ-OD2 3.74Å; R345-D400 IonicContact NH1-OD1 2.88Å; R345-D400 PolarHBondContact NH1-OD1 3.31Å; R345-D400 IonicContact NH1-OD2 3.51Å; R345-D400 PolarHBondContact NH1-OD2 3.4Å; R345-D400 IonicContact NH2-OD1 3.04Å; R345-D400 IonicContact NH2-OD2 3.31Å; L383-D400 HydrophobicContact CD2-CB 3.9Å; D400-H402 PolarHBondContact O-N 3.47Å; D400-H402 VanDerWaalsContact O-N 3.15Å; D400-H402 PolarHBondContact OD1-N 3.2Å; D400-H402 IonicContact OD1-ND1 2.62Å; D400-I403 HydrophobicContact CB-CB 4.37Å; D400-I403 WeakPolarHBondContact O-CB 3.44Å; D400-I403 PolarHBondContact O-N 3.28Å | ||
| 401 | K | 96.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 50.5 Ų | 50.5 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.7 | 179.7 | -47.7 | -162.9 | 177.6 | 174.3 | 0 | 113.1 | I399 Q553 | I399-K401 HydrophobicContact CG2-CG 4.29Å; K401-Q553 HydrophobicContact CB-CG 4.27Å; K401-Q553 HydrophobicContact CG-CG 4.44Å |
| 402 | H | 97.9 | Very high | 93.8 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 33% | 0.333 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 20.2 | -178 | -49.4 | 86 | 0 | 0 | 0 | 111.9 | R345 D400 A404 E405 Q560 | R345-H402 WeakPolarHBondContact CD-O 3.32Å; D400-H402 PolarHBondContact O-N 3.47Å; D400-H402 VanDerWaalsContact O-N 3.15Å; D400-H402 PolarHBondContact OD1-N 3.2Å; D400-H402 IonicContact OD1-ND1 2.62Å; H402-A404 PolarHBondContact O-N 3.39Å; H402-E405 PolarHBondContact O-N 2.99Å; H402-Q560 VanDerWaalsContact CA-OE1 3.26Å |
| 403 | I | 98.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -31.4 | -179.6 | -163.6 | 62.3 | 0 | 0 | 0 | 112.1 | I380 L383 D400 E405 L406 I407 M550 | I380-I403 HydrophobicContact CG1-CD1 3.98Å; L383-I403 HydrophobicContact CD2-CD1 4.17Å; D400-I403 HydrophobicContact CB-CB 4.37Å; D400-I403 WeakPolarHBondContact O-CB 3.44Å; D400-I403 PolarHBondContact O-N 3.28Å; I403-E405 PolarHBondContact O-N 3.49Å; I403-L406 HydrophobicContact CD1-CD2 4.33Å; I403-L406 PolarHBondContact O-N 3.15Å; I403-I407 HydrophobicContact CG1-CD1 4.12Å; I403-I407 WeakPolarHBondContact O-CG1 3.5Å; I403-I407 PolarHBondContact O-N 2.95Å; I403-I407 VanDerWaalsContact O-N 3.11Å; I403-M550 HydrophobicContact CG1-SD 4.46Å; I403-M550 HydrophobicContact CG2-CB 4.16Å; I403-M550 HydrophobicContact CG2-CG 4.03Å; I403-M550 HydrophobicContact CG2-SD 3.96Å |
| 404 | A | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H402 L406 I407 F408 C554 H563 F567 | H402-A404 PolarHBondContact O-N 3.39Å; A404-L406 VanDerWaalsContact C-N 3.3Å; A404-L406 PolarHBondContact O-N 3.24Å; A404-I407 PolarHBondContact O-N 3.45Å; A404-F408 VanDerWaalsContact O-CB 3.25Å; A404-F408 WeakPolarHBondContact O-CB 3.27Å; A404-F408 PolarHBondContact O-N 3.29Å; A404-C554 HydrophobicContact CB-CB 4.09Å; A404-C554 VanDerWaalsContact CB-SG 3.53Å; A404-H563 HydrophobicContact CB-CB 4.02Å; A404-F567 HydrophobicContact CB-CE2 3.77Å; A404-F567 HydrophobicContact CB-CZ 4.16Å |
| 405 | E | 98.8 | Very high | 96 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 15% | 0.145 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 175.4 | -177.1 | 174.6 | -172 | 0 | 0 | 112.3 | R345 H402 I403 Y409 Q560 | R345-E405 HydrophobicContact CG-CG 4.39Å; H402-E405 PolarHBondContact O-N 2.99Å; I403-E405 PolarHBondContact O-N 3.49Å; E405-Y409 HydrophobicContact CG-CD2 3.91Å; E405-Y409 HydrophobicContact CG-CE2 3.54Å; E405-Y409 WeakPolarHBondContact O-CD2 3.31Å; E405-Y409 PolarHBondContact O-N 2.96Å; E405-Q560 PolarHBondContact OE2-NE2 3.15Å |
| 406 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65 | -47.8 | 178.4 | -176.5 | 62.1 | 0 | 0 | 0 | 111.5 | R341 L344 R345 L348 A376 I380 I403 A404 F408 Y409 M410 | R341-L406 HydrophobicContact CB-CD2 4.44Å; R341-L406 HydrophobicContact CG-CD2 4.18Å; L344-L406 HydrophobicContact CB-CD1 3.84Å; R345-L406 HydrophobicContact CG-CB 3.83Å; R345-L406 HydrophobicContact CG-CD1 4.17Å; L348-L406 HydrophobicContact CD2-CD1 4.11Å; A376-L406 HydrophobicContact CB-CD1 3.89Å; A376-L406 HydrophobicContact CB-CD2 4.46Å; A376-L406 HydrophobicContact CB-CG 4.21Å; I380-L406 HydrophobicContact CD1-CD2 4.25Å; I380-L406 HydrophobicContact CD1-CG 4.44Å; I380-L406 HydrophobicContact CG1-CD2 4.02Å; I403-L406 HydrophobicContact CD1-CD2 4.33Å; I403-L406 PolarHBondContact O-N 3.15Å; A404-L406 VanDerWaalsContact C-N 3.3Å; A404-L406 PolarHBondContact O-N 3.24Å; L406-F408 VanDerWaalsContact C-N 3.34Å; L406-Y409 PolarHBondContact O-N 3.3Å; L406-M410 WeakPolarHBondContact O-CG 3.38Å; L406-M410 PolarHBondContact O-N 3.27Å |
| 407 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 179.3 | -62.4 | 167.2 | 0 | 0 | 0 | 110.4 | I380 I403 A404 Y409 M410 E411 F540 C566 L570 | I380-I407 HydrophobicContact CD1-CG1 3.78Å; I403-I407 HydrophobicContact CG1-CD1 4.12Å; I403-I407 WeakPolarHBondContact O-CG1 3.5Å; I403-I407 PolarHBondContact O-N 2.95Å; I403-I407 VanDerWaalsContact O-N 3.11Å; A404-I407 PolarHBondContact O-N 3.45Å; I407-Y409 PolarHBondContact O-N 2.92Å; I407-M410 WeakPolarHBondContact O-CB 3.4Å; I407-M410 PolarHBondContact O-N 3.17Å; I407-M410 VanDerWaalsContact O-N 3.12Å; I407-E411 PolarHBondContact O-N 3.24Å; I407-F540 HydrophobicContact CD1-CE2 4.27Å; I407-F540 HydrophobicContact CD1-CZ 4.23Å; I407-C566 HydrophobicContact CB-CB 4.23Å; I407-C566 HydrophobicContact CG2-CB 3.77Å; I407-L570 HydrophobicContact CD1-CD1 4.1Å; I407-L570 HydrophobicContact CG2-CD1 3.53Å; I407-L570 HydrophobicContact CG2-CD2 3.99Å; I407-L570 HydrophobicContact CG2-CG 3.77Å |
| 408 | F | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 2% | 0.022 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 179.3 | 176.3 | -91.7 | 0 | 0 | 0 | 112.2 | A404 L406 M410 E411 E412 H563 I565 C566 F685 Y689 | A404-F408 VanDerWaalsContact O-CB 3.25Å; A404-F408 WeakPolarHBondContact O-CB 3.27Å; A404-F408 PolarHBondContact O-N 3.29Å; L406-F408 VanDerWaalsContact C-N 3.34Å; F408-M410 VanDerWaalsContact C-N 3.28Å; F408-M410 PolarHBondContact O-N 3.25Å; F408-E411 PolarHBondContact O-N 3.36Å; F408-E411 VanDerWaalsContact O-N 3.08Å; F408-E412 HydrophobicContact CD1-CG 4.37Å; F408-E412 HydrophobicContact CE1-CG 3.86Å; F408-E412 HydrophobicContact CZ-CG 4.24Å; F408-E412 PolarHBondContact O-N 3.22Å; F408-H563 HydrophobicContact CB-CB 3.82Å; F408-H563 AromaticContact CD1-CE1 3.78Å; F408-H563 AromaticContact CD1-ND1 3.22Å; F408-H563 WeakPolarHBondContact CD1-ND1 3.23Å; F408-H563 HydrophobicContact CD2-CB 4.38Å; F408-H563 AromaticContact CD2-ND1 3.89Å; F408-H563 AromaticContact CE1-ND1 3.78Å; F408-H563 HydrophobicContact CG-CB 4.12Å; F408-H563 AromaticContact CG-ND1 3.29Å; F408-H563 VanDerWaalsContact CG-ND1 3.29Å; F408-H563 WeakPolarHBondContact CG-ND1 3.31Å; F408-I565 HydrophobicContact CD2-CG2 3.92Å; F408-I565 HydrophobicContact CE2-CG2 3.78Å; F408-C566 HydrophobicContact CB-CB 4.08Å; F408-F685 HydrophobicContact CE2-CE1 4.42Å; F408-F685 AromaticContact CZ-CE1 3.94Å; F408-F685 HydrophobicContact CZ-CE1 3.94Å; F408-F685 HydrophobicContact CZ-CZ 4.32Å; F408-Y689 HydrophobicContact CE2-CD1 4.2Å; F408-Y689 AromaticContact CE2-CD2 3.86Å; F408-Y689 HydrophobicContact CE2-CD2 3.86Å; F408-Y689 HydrophobicContact CE2-CE1 4.06Å; F408-Y689 AromaticContact CE2-CE2 3.73Å; F408-Y689 HydrophobicContact CE2-CE2 3.73Å; F408-Y689 HydrophobicContact CE2-CG 4.1Å; F408-Y689 AromaticContact CE2-CZ 3.82Å; F408-Y689 AromaticContact CZ-CD2 3.78Å; F408-Y689 HydrophobicContact CZ-CD2 3.78Å; F408-Y689 AromaticContact CZ-CE2 3.42Å; F408-Y689 HydrophobicContact CZ-CE2 3.42Å; F408-Y689 VanDerWaalsContact CZ-CE2 3.42Å; F408-Y689 HydrophobicContact CZ-CG 4.47Å; F408-Y689 AromaticContact CZ-CZ 3.83Å |
| 409 | Y | 98.9 | Very high | 98.1 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.4 | -20.8 | 177.9 | -67.9 | -61.9 | 0 | 0 | 0 | 113.5 | K349 A352 E405 L406 I407 E412 L413 | K349-Y409 HydrophobicContact CB-CD1 4.34Å; K349-Y409 HydrophobicContact CB-CD2 3.82Å; K349-Y409 HydrophobicContact CB-CE1 4.13Å; K349-Y409 HydrophobicContact CB-CE2 3.58Å; K349-Y409 HydrophobicContact CB-CG 4.22Å; K349-Y409 HydrophobicContact CD-CE2 3.78Å; K349-Y409 WeakPolarHBondContact CD-OH 3.34Å; K349-Y409 WeakPolarHBondContact CE-OH 3.38Å; K349-Y409 HydrophobicContact CG-CD2 4.42Å; K349-Y409 HydrophobicContact CG-CE1 3.89Å; K349-Y409 HydrophobicContact CG-CE2 3.73Å; K349-Y409 VanDerWaalsContact CG-CZ 3.44Å; A352-Y409 HydrophobicContact CB-CD1 4.26Å; E405-Y409 HydrophobicContact CG-CD2 3.91Å; E405-Y409 HydrophobicContact CG-CE2 3.54Å; E405-Y409 WeakPolarHBondContact O-CD2 3.31Å; E405-Y409 PolarHBondContact O-N 2.96Å; L406-Y409 PolarHBondContact O-N 3.3Å; I407-Y409 PolarHBondContact O-N 2.92Å; Y409-E412 HydrophobicContact CD1-CG 4.23Å; Y409-L413 WeakPolarHBondContact O-CG 3.18Å; Y409-L413 PolarHBondContact O-N 2.99Å |
| 410 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 165.2 | -65.2 | 171.6 | 65.6 | 0 | 0 | 110.9 | L348 L373 A376 R377 I380 L406 I407 F408 L413 R414 L537 | L348-M410 HydrophobicContact CD2-CG 3.79Å; L373-M410 HydrophobicContact CD2-CB 3.94Å; L373-M410 HydrophobicContact CD2-CG 4.29Å; A376-M410 HydrophobicContact CB-CE 4.29Å; A376-M410 HydrophobicContact CB-CG 3.75Å; A376-M410 HydrophobicContact CB-SD 3.5Å; A376-M410 WeakPolarHBondContact CB-SD 3.39Å; R377-M410 HydrophobicContact CB-CE 3.89Å; I380-M410 HydrophobicContact CD1-CE 4.34Å; I380-M410 HydrophobicContact CD1-SD 3.42Å; I380-M410 WeakPolarHBondContact CD1-SD 3.16Å; L406-M410 WeakPolarHBondContact O-CG 3.38Å; L406-M410 PolarHBondContact O-N 3.27Å; I407-M410 WeakPolarHBondContact O-CB 3.4Å; I407-M410 PolarHBondContact O-N 3.17Å; I407-M410 VanDerWaalsContact O-N 3.12Å; F408-M410 VanDerWaalsContact C-N 3.28Å; F408-M410 PolarHBondContact O-N 3.25Å; M410-L413 PolarHBondContact O-N 3.4Å; M410-R414 VanDerWaalsContact O-CG 3.25Å; M410-R414 WeakPolarHBondContact O-CG 3.47Å; M410-R414 PolarHBondContact O-N 2.78Å; M410-L537 HydrophobicContact CE-CD1 3.89Å; M410-L537 HydrophobicContact CE-CG 4.45Å; M410-L537 HydrophobicContact SD-CD1 4.27Å |
| 411 | E | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.8 | -34.2 | 177.2 | -69.8 | -49.9 | 127.7 | 0 | 0 | 113.2 | I407 F408 R414 A415 L569 H573 | I407-E411 PolarHBondContact O-N 3.24Å; F408-E411 PolarHBondContact O-N 3.36Å; F408-E411 VanDerWaalsContact O-N 3.08Å; E411-R414 PolarHBondContact O-N 3.05Å; E411-R414 WeakPolarHBondContact OE1-CD 3.29Å; E411-R414 IonicContact OE1-NE 3.71Å; E411-R414 PolarHBondContact OE1-NE 3.21Å; E411-R414 VanDerWaalsContact OE1-NE 3.1Å; E411-R414 IonicContact OE2-NE 3.43Å; E411-R414 PolarHBondContact OE2-NE 3.42Å; E411-A415 WeakPolarHBondContact O-CB 3.33Å; E411-A415 PolarHBondContact O-N 2.98Å; E411-L569 HydrophobicContact CB-CD1 4.07Å; E411-L569 HydrophobicContact CG-CB 4.12Å; E411-L569 HydrophobicContact CG-CD1 4.18Å; E411-H573 IonicContact OE1-CE1 3.88Å; E411-H573 PolarHBondContact OE1-CE1 3.45Å; E411-H573 IonicContact OE1-NE2 2.78Å; E411-H573 PolarHBondContact OE1-NE2 3.28Å; E411-H573 VanDerWaalsContact OE1-NE2 3.13Å; E411-H573 IonicContact OE2-NE2 2.76Å |
| 412 | E | 98.5 | Very high | 98.4 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 16% | 0.159 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -51.9 | 169.1 | -87.6 | -82 | 152.3 | 0 | 0 | 111.7 | A352 F408 Y409 R414 A415 H416 Y689 | A352-E412 HydrophobicContact CB-CB 4.03Å; F408-E412 HydrophobicContact CD1-CG 4.37Å; F408-E412 HydrophobicContact CE1-CG 3.86Å; F408-E412 HydrophobicContact CZ-CG 4.24Å; F408-E412 PolarHBondContact O-N 3.22Å; Y409-E412 HydrophobicContact CD1-CG 4.23Å; E412-R414 VanDerWaalsContact C-N 3.31Å; E412-R414 PolarHBondContact O-N 3.49Å; E412-A415 WeakPolarHBondContact O-CB 3.24Å; E412-A415 PolarHBondContact O-N 3.5Å; E412-A415 VanDerWaalsContact O-N 3.12Å; E412-H416 PolarHBondContact O-CD2 3.2Å; E412-H416 PolarHBondContact O-N 3.47Å; E412-H416 IonicContact OE2-CE1 3.48Å; E412-H416 PolarHBondContact OE2-CE1 2.87Å; E412-H416 IonicContact OE2-NE2 3.56Å; E412-H416 PolarHBondContact OE2-NE2 3.07Å; E412-Y689 VanDerWaalsContact CD-OH 3.29Å; E412-Y689 WeakPolarHBondContact CG-OH 3.36Å; E412-Y689 WeakPolarHBondContact OE1-CE2 3.35Å; E412-Y689 PolarHBondContact OE1-OH 3.04Å |
| 413 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 177.8 | -70.9 | 177.2 | 0 | 0 | 0 | 111.9 | L348 L351 A352 L355 V369 A372 L373 Y409 M410 A415 H416 V417 | L348-L413 HydrophobicContact CD2-CD1 4.47Å; L348-L413 HydrophobicContact CG-CD1 4.19Å; L351-L413 HydrophobicContact CD2-CD1 4.2Å; L351-L413 HydrophobicContact CD2-CD2 4.35Å; L351-L413 HydrophobicContact CG-CD2 4.18Å; A352-L413 HydrophobicContact CB-CD2 3.94Å; A352-L413 HydrophobicContact CB-CG 4.2Å; L355-L413 HydrophobicContact CD1-CD2 3.83Å; V369-L413 HydrophobicContact CG1-CB 4.18Å; V369-L413 HydrophobicContact CG1-CD2 4.46Å; A372-L413 HydrophobicContact CB-CD1 4.01Å; L373-L413 HydrophobicContact CD2-CB 4.03Å; L373-L413 HydrophobicContact CD2-CD1 4.34Å; L373-L413 HydrophobicContact CG-CB 4.42Å; L373-L413 HydrophobicContact CG-CD1 4.47Å; Y409-L413 WeakPolarHBondContact O-CG 3.18Å; Y409-L413 PolarHBondContact O-N 2.99Å; M410-L413 PolarHBondContact O-N 3.4Å; L413-A415 VanDerWaalsContact C-N 3.34Å; L413-H416 PolarHBondContact O-N 2.7Å; L413-V417 WeakPolarHBondContact O-CG2 3.42Å; L413-V417 PolarHBondContact O-N 3.29Å; L413-V417 VanDerWaalsContact O-N 3.1Å |
| 414 | R | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | 174 | -69.1 | 164.5 | 63.7 | 72.8 | -2.6 | 111.3 | L373 M410 E411 E412 V417 R418 L531 S535 H573 | L373-R414 HydrophobicContact CD1-CG 4.38Å; L373-R414 HydrophobicContact CD2-CG 4.11Å; M410-R414 VanDerWaalsContact O-CG 3.25Å; M410-R414 WeakPolarHBondContact O-CG 3.47Å; M410-R414 PolarHBondContact O-N 2.78Å; E411-R414 PolarHBondContact O-N 3.05Å; E411-R414 WeakPolarHBondContact OE1-CD 3.29Å; E411-R414 IonicContact OE1-NE 3.71Å; E411-R414 PolarHBondContact OE1-NE 3.21Å; E411-R414 VanDerWaalsContact OE1-NE 3.1Å; E411-R414 IonicContact OE2-NE 3.43Å; E411-R414 PolarHBondContact OE2-NE 3.42Å; E412-R414 VanDerWaalsContact C-N 3.31Å; E412-R414 PolarHBondContact O-N 3.49Å; R414-V417 PolarHBondContact O-N 3.09Å; R414-R418 WeakPolarHBondContact O-CG 3.35Å; R414-R418 PolarHBondContact O-N 3.29Å; R414-R418 VanDerWaalsContact O-N 3.08Å; R414-L531 HydrophobicContact CB-CD1 4.35Å; R414-L531 HydrophobicContact CB-CD2 4.41Å; R414-L531 HydrophobicContact CG-CD2 4.01Å; R414-L531 PolarHBondContact NH1-O 3.19Å; R414-S535 WeakPolarHBondContact CD-OG 3.42Å; R414-S535 PolarHBondContact NH1-OG 2.92Å; R414-H573 VanDerWaalsContact CZ-CE1 3.45Å; R414-H573 VanDerWaalsContact CZ-NE2 3.31Å; R414-H573 PolarHBondContact NE-CE1 2.95Å; R414-H573 PolarHBondContact NE-NE2 3.34Å; R414-H573 PolarHBondContact NH2-CD2 3.35Å; R414-H573 PolarHBondContact NH2-CE1 3.49Å; R414-H573 VanDerWaalsContact NH2-CE1 3.32Å; R414-H573 PolarHBondContact NH2-NE2 3.41Å |
| 415 | A | 98.1 | Very high | 98.4 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 30% | 0.298 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.2 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E411 E412 L413 R418 K419 | E411-A415 WeakPolarHBondContact O-CB 3.33Å; E411-A415 PolarHBondContact O-N 2.98Å; E412-A415 WeakPolarHBondContact O-CB 3.24Å; E412-A415 PolarHBondContact O-N 3.5Å; E412-A415 VanDerWaalsContact O-N 3.12Å; L413-A415 VanDerWaalsContact C-N 3.34Å; A415-R418 PolarHBondContact O-N 3.26Å; A415-K419 VanDerWaalsContact O-CB 3.26Å; A415-K419 WeakPolarHBondContact O-CB 3.24Å; A415-K419 PolarHBondContact O-N 3.4Å |
| 416 | H | 98.3 | Very high | 98.4 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 7% | 0.074 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 175.8 | -66.9 | -33.7 | 0 | 0 | 0 | 112 | L362 E412 L413 R418 K419 Y420 | L362-H416 HydrophobicContact CD1-CB 4.21Å; E412-H416 PolarHBondContact O-CD2 3.2Å; E412-H416 PolarHBondContact O-N 3.47Å; E412-H416 IonicContact OE2-CE1 3.48Å; E412-H416 PolarHBondContact OE2-CE1 2.87Å; E412-H416 IonicContact OE2-NE2 3.56Å; E412-H416 PolarHBondContact OE2-NE2 3.07Å; L413-H416 PolarHBondContact O-N 2.7Å; H416-R418 PolarHBondContact O-N 3.05Å; H416-K419 PolarHBondContact O-N 3.03Å; H416-Y420 HydrophobicContact CB-CD2 4.24Å; H416-Y420 AromaticContact ND1-CE2 3.84Å; H416-Y420 WeakPolarHBondContact O-CB 3.47Å; H416-Y420 WeakPolarHBondContact O-CD2 3.43Å; H416-Y420 PolarHBondContact O-N 2.84Å |
| 417 | V | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | V369 L413 R414 G421 M424 L527 L531 | V369-V417 HydrophobicContact CG1-CG2 3.86Å; L413-V417 WeakPolarHBondContact O-CG2 3.42Å; L413-V417 PolarHBondContact O-N 3.29Å; L413-V417 VanDerWaalsContact O-N 3.1Å; R414-V417 PolarHBondContact O-N 3.09Å; V417-G421 VanDerWaalsContact O-CA 3.29Å; V417-G421 WeakPolarHBondContact O-CA 3.33Å; V417-G421 PolarHBondContact O-N 3.27Å; V417-M424 HydrophobicContact CB-SD 4.45Å; V417-M424 HydrophobicContact CG1-SD 4.11Å; V417-M424 HydrophobicContact CG2-SD 4.17Å; V417-L527 HydrophobicContact CG1-CB 4.05Å; V417-L527 HydrophobicContact CG1-CD1 4.48Å; V417-L527 HydrophobicContact CG1-CD2 4.18Å; V417-L527 HydrophobicContact CG1-CG 4.48Å; V417-L531 HydrophobicContact CB-CD1 4.2Å; V417-L531 HydrophobicContact CB-CD2 4.03Å; V417-L531 HydrophobicContact CB-CG 4.44Å; V417-L531 HydrophobicContact CG1-CD1 4.04Å; V417-L531 HydrophobicContact CG1-CD2 4.07Å; V417-L531 HydrophobicContact CG1-CG 4.08Å; V417-L531 HydrophobicContact CG2-CD2 4.13Å |
| 418 | R | 97.3 | Very high | 98.4 | Very high | 129 Ų | 129 | 38 Ų | 38 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 177.3 | -68.9 | -178.1 | -165.5 | 110.1 | -4 | 112.3 | R414 A415 H416 L531 | R414-R418 WeakPolarHBondContact O-CG 3.35Å; R414-R418 PolarHBondContact O-N 3.29Å; R414-R418 VanDerWaalsContact O-N 3.08Å; A415-R418 PolarHBondContact O-N 3.26Å; H416-R418 PolarHBondContact O-N 3.05Å; R418-L531 HydrophobicContact CG-CD1 3.99Å |
| 419 | K | 97.4 | Very high | 98.4 | Very high | 145 Ų | 145 | 37.8 Ų | 37.8 | 63% | 0.63 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -72.9 | -39.8 | -176.3 | -174.8 | -179.8 | 178.6 | -167.1 | 0 | 112.4 | A415 H416 | A415-K419 VanDerWaalsContact O-CB 3.26Å; A415-K419 WeakPolarHBondContact O-CB 3.24Å; A415-K419 PolarHBondContact O-N 3.4Å; H416-K419 PolarHBondContact O-N 3.03Å |
| 420 | Y | 98.3 | Very high | 98.3 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 19% | 0.192 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -109.5 | 20.7 | -174.6 | -54.6 | -66.2 | 0 | 0 | 0 | 112.8 | P359 L362 H416 P422 V423 M424 | P359-Y420 HydrophobicContact CB-CD1 3.84Å; P359-Y420 HydrophobicContact CB-CD2 3.91Å; P359-Y420 HydrophobicContact CB-CE1 3.81Å; P359-Y420 HydrophobicContact CB-CE2 3.86Å; P359-Y420 HydrophobicContact CB-CG 3.9Å; P359-Y420 HydrophobicContact CG-CD1 4.44Å; P359-Y420 HydrophobicContact CG-CD2 4.43Å; P359-Y420 HydrophobicContact CG-CE1 3.9Å; P359-Y420 HydrophobicContact CG-CE2 3.87Å; L362-Y420 HydrophobicContact CD1-CD2 3.72Å; L362-Y420 HydrophobicContact CD1-CG 4Å; H416-Y420 HydrophobicContact CB-CD2 4.24Å; H416-Y420 AromaticContact ND1-CE2 3.84Å; H416-Y420 WeakPolarHBondContact O-CB 3.47Å; H416-Y420 WeakPolarHBondContact O-CD2 3.43Å; H416-Y420 PolarHBondContact O-N 2.84Å; Y420-P422 VanDerWaalsContact C-CD 3.47Å; Y420-P422 VanDerWaalsContact C-N 3.29Å; Y420-V423 VanDerWaalsContact O-CB 3.27Å; Y420-V423 WeakPolarHBondContact O-CB 3.21Å; Y420-V423 PolarHBondContact O-N 3.35Å; Y420-M424 PolarHBondContact O-N 2.88Å |
| 421 | G | 97.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -47.5 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V417 V423 M424 Q425 | V417-G421 VanDerWaalsContact O-CA 3.29Å; V417-G421 WeakPolarHBondContact O-CA 3.33Å; V417-G421 PolarHBondContact O-N 3.27Å; G421-V423 PolarHBondContact O-N 3.35Å; G421-M424 WeakPolarHBondContact O-CB 3.27Å; G421-M424 PolarHBondContact O-N 3.1Å; G421-M424 VanDerWaalsContact O-N 3.08Å; G421-Q425 WeakPolarHBondContact O-CG 3.35Å; G421-Q425 PolarHBondContact O-N 2.92Å |
| 422 | P | 98.1 | Very high | 98.3 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.8 | -29.8 | 175.6 | -28.2 | 36.9 | 0 | 0 | 0 | 114.9 | Y420 R426 | Y420-P422 VanDerWaalsContact C-CD 3.47Å; Y420-P422 VanDerWaalsContact C-N 3.29Å; P422-R426 VanDerWaalsContact O-CB 3.27Å; P422-R426 WeakPolarHBondContact O-CB 3.47Å; P422-R426 PolarHBondContact O-N 3.16Å |
| 423 | V | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 43 Ų | 43 | 33% | 0.327 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | Y420 G421 Y427 | Y420-V423 VanDerWaalsContact O-CB 3.27Å; Y420-V423 WeakPolarHBondContact O-CB 3.21Å; Y420-V423 PolarHBondContact O-N 3.35Å; G421-V423 PolarHBondContact O-N 3.35Å; V423-Y427 PolarHBondContact O-N 3.28Å |
| 424 | M | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -48.8 | 176.5 | -59.3 | 177.7 | 71.9 | 0 | 0 | 110.4 | L362 A366 F370 V417 Y420 G421 R426 Y427 Y428 M523 L527 | L362-M424 HydrophobicContact CB-CG 3.83Å; L362-M424 HydrophobicContact CB-SD 4.32Å; A366-M424 HydrophobicContact CB-CE 3.6Å; F370-M424 HydrophobicContact CE2-CE 3.95Å; F370-M424 HydrophobicContact CZ-CE 4.25Å; V417-M424 HydrophobicContact CB-SD 4.45Å; V417-M424 HydrophobicContact CG1-SD 4.11Å; V417-M424 HydrophobicContact CG2-SD 4.17Å; Y420-M424 PolarHBondContact O-N 2.88Å; G421-M424 WeakPolarHBondContact O-CB 3.27Å; G421-M424 PolarHBondContact O-N 3.1Å; G421-M424 VanDerWaalsContact O-N 3.08Å; M424-R426 PolarHBondContact O-N 2.95Å; M424-Y427 PolarHBondContact O-N 3.43Å; M424-Y428 VanDerWaalsContact O-CD2 3.3Å; M424-Y428 WeakPolarHBondContact O-CD2 3.36Å; M424-Y428 PolarHBondContact O-N 2.82Å; M424-M523 HydrophobicContact CE-SD 3.88Å; M424-L527 HydrophobicContact CB-CD1 4.25Å; M424-L527 HydrophobicContact CE-CD2 3.62Å; M424-L527 HydrophobicContact SD-CD1 4.27Å; M424-L527 HydrophobicContact SD-CD2 3.92Å |
| 425 | Q | 98.4 | Very high | 98 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.7 | -50.6 | 177.2 | -73.2 | 176.2 | -33.3 | 0 | 0 | 111.7 | G421 Y427 Y428 V429 V473 V524 L527 | G421-Q425 WeakPolarHBondContact O-CG 3.35Å; G421-Q425 PolarHBondContact O-N 2.92Å; Q425-Y427 VanDerWaalsContact C-N 3.35Å; Q425-Y427 PolarHBondContact O-N 3.3Å; Q425-Y428 PolarHBondContact O-N 3.48Å; Q425-V429 WeakPolarHBondContact O-CB 3.39Å; Q425-V429 VanDerWaalsContact O-CG2 3.32Å; Q425-V429 WeakPolarHBondContact O-CG2 3.45Å; Q425-V429 PolarHBondContact O-N 2.91Å; Q425-V473 HydrophobicContact CB-CG1 3.87Å; Q425-V473 HydrophobicContact CB-CG2 4.16Å; Q425-V524 HydrophobicContact CG-CG1 4.37Å; Q425-V524 WeakPolarHBondContact CG-O 3.3Å; Q425-V524 PolarHBondContact NE2-O 3.33Å; Q425-L527 HydrophobicContact CG-CD1 4.48Å |
| 426 | R | 98.4 | Very high | 98 | Very high | 102 Ų | 102 | 48.4 Ų | 48.4 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.2 | -48 | 179.1 | -172.3 | -176.3 | -171.9 | 111.8 | 8.3 | 111.5 | P422 M424 Q430 V470 V473 E474 | P422-R426 VanDerWaalsContact O-CB 3.27Å; P422-R426 WeakPolarHBondContact O-CB 3.47Å; P422-R426 PolarHBondContact O-N 3.16Å; M424-R426 PolarHBondContact O-N 2.95Å; R426-Q430 WeakPolarHBondContact O-CG 2.99Å; R426-Q430 PolarHBondContact O-N 3.04Å; R426-Q430 PolarHBondContact O-OE1 3.15Å; R426-V470 HydrophobicContact CG-CB 4.4Å; R426-V470 HydrophobicContact CG-CG1 3.98Å; R426-V473 HydrophobicContact CB-CG1 4.22Å; R426-E474 IonicContact CZ-OE1 2.86Å; R426-E474 VanDerWaalsContact CZ-OE1 3.25Å; R426-E474 IonicContact NH1-OE1 3.93Å; R426-E474 PolarHBondContact NH1-OE1 3.3Å; R426-E474 IonicContact NH2-OE1 3.58Å; R426-E474 PolarHBondContact NH2-OE1 3.5Å |
| 427 | Y | 98.7 | Very high | 97.9 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | -179.2 | -177.6 | -91.5 | 0 | 0 | 0 | 111.9 | P364 V423 M424 Q425 Q430 Y431 | P364-Y427 HydrophobicContact CB-CE2 4.33Å; V423-Y427 PolarHBondContact O-N 3.28Å; M424-Y427 PolarHBondContact O-N 3.43Å; Q425-Y427 VanDerWaalsContact C-N 3.35Å; Q425-Y427 PolarHBondContact O-N 3.3Å; Y427-Q430 PolarHBondContact O-N 3.26Å; Y427-Y431 HydrophobicContact CD1-CD2 4.41Å; Y427-Y431 AromaticContact CE1-CD2 3.62Å; Y427-Y431 HydrophobicContact CE1-CD2 3.62Å; Y427-Y431 HydrophobicContact CE1-CE2 4.14Å; Y427-Y431 AromaticContact CZ-CD2 3.99Å; Y427-Y431 PolarHBondContact O-N 3.31Å |
| 428 | Y | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.2 | -26.5 | -176.1 | -74.7 | -76.6 | 0 | 0 | 0 | 113.7 | G363 A366 M424 Q425 Q430 Y431 L432 H520 M523 | G363-Y428 VanDerWaalsContact O-CE2 3.27Å; G363-Y428 WeakPolarHBondContact O-CE2 3.3Å; G363-Y428 PolarHBondContact O-OH 3.35Å; A366-Y428 HydrophobicContact CB-CE2 3.76Å; A366-Y428 WeakPolarHBondContact CB-OH 3.33Å; M424-Y428 VanDerWaalsContact O-CD2 3.3Å; M424-Y428 WeakPolarHBondContact O-CD2 3.36Å; M424-Y428 PolarHBondContact O-N 2.82Å; Q425-Y428 PolarHBondContact O-N 3.48Å; Y428-Q430 VanDerWaalsContact C-N 3.34Å; Y428-Y431 PolarHBondContact O-N 3.47Å; Y428-L432 WeakPolarHBondContact O-CB 3.43Å; Y428-L432 WeakPolarHBondContact O-CD1 3.36Å; Y428-L432 WeakPolarHBondContact O-CG 3.38Å; Y428-L432 PolarHBondContact O-N 3.49Å; Y428-H520 HydrophobicContact CD1-CB 3.73Å; Y428-H520 AromaticContact CD1-CD2 3.42Å; Y428-H520 VanDerWaalsContact CD1-CD2 3.42Å; Y428-H520 WeakPolarHBondContact CD1-CD2 3.35Å; Y428-H520 AromaticContact CD1-CG 3.6Å; Y428-H520 HydrophobicContact CE1-CB 4.43Å; Y428-H520 AromaticContact CE1-CD2 3.23Å; Y428-H520 WeakPolarHBondContact CE1-CD2 3.43Å; Y428-H520 AromaticContact CE1-CG 3.91Å; Y428-H520 AromaticContact CE1-NE2 3.7Å; Y428-M523 HydrophobicContact CD1-CB 4.19Å; Y428-M523 HydrophobicContact CD1-CG 4.28Å; Y428-M523 HydrophobicContact CD2-CB 3.19Å; Y428-M523 HydrophobicContact CD2-CG 3.69Å; Y428-M523 HydrophobicContact CE1-CG 4.19Å; Y428-M523 HydrophobicContact CE2-CB 3.66Å; Y428-M523 HydrophobicContact CE2-CG 3.61Å; Y428-M523 HydrophobicContact CE2-SD 4.49Å; Y428-M523 HydrophobicContact CG-CB 3.5Å; Y428-M523 HydrophobicContact CG-CG 4.04Å |
| 429 | V | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 168.1 | 160.8 | 0 | 0 | 0 | 0 | 111 | Q425 Y431 S433 L468 S469 V473 F479 V524 | Q425-V429 WeakPolarHBondContact O-CB 3.39Å; Q425-V429 VanDerWaalsContact O-CG2 3.32Å; Q425-V429 WeakPolarHBondContact O-CG2 3.45Å; Q425-V429 PolarHBondContact O-N 2.91Å; V429-Y431 VanDerWaalsContact C-N 3.33Å; V429-S433 PolarHBondContact O-N 2.93Å; V429-S433 PolarHBondContact O-OG 2.86Å; V429-L468 HydrophobicContact CG1-CB 3.89Å; V429-S469 VanDerWaalsContact CG1-C 3.46Å; V429-V473 HydrophobicContact CB-CG2 4.33Å; V429-V473 HydrophobicContact CG2-CG2 3.9Å; V429-F479 HydrophobicContact CG2-CE1 4.25Å; V429-F479 HydrophobicContact CG2-CZ 4.22Å; V429-V524 HydrophobicContact CG2-CG1 3.86Å; V429-V524 HydrophobicContact CG2-CG2 3.93Å |
| 430 | Q | 97.9 | Very high | 97.7 | Very high | 101 Ų | 101 | 41 Ų | 41 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 175 | -66.5 | 177.9 | -79.7 | 0 | 0 | 112.1 | R426 Y427 Y428 G434 V470 | R426-Q430 WeakPolarHBondContact O-CG 2.99Å; R426-Q430 PolarHBondContact O-N 3.04Å; R426-Q430 PolarHBondContact O-OE1 3.15Å; Y427-Q430 PolarHBondContact O-N 3.26Å; Y428-Q430 VanDerWaalsContact C-N 3.34Å; Q430-G434 WeakPolarHBondContact O-CA 3.46Å; Q430-G434 PolarHBondContact O-N 3.19Å; Q430-V470 HydrophobicContact CG-CG1 3.32Å |
| 431 | Y | 97.9 | Very high | 97.5 | Very high | 32 Ų | 32 | 42 Ų | 42 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -64 | -48 | 177.6 | -143 | -57.6 | 0 | 0 | 0 | 111.1 | P240 Q242 Y427 Y428 V429 F435 D436 H520 | P240-Y431 HydrophobicContact CB-CE2 4.16Å; P240-Y431 HydrophobicContact CG-CE2 4.24Å; Q242-Y431 PolarHBondContact OE1-OH 2.91Å; Y427-Y431 HydrophobicContact CD1-CD2 4.41Å; Y427-Y431 AromaticContact CE1-CD2 3.62Å; Y427-Y431 HydrophobicContact CE1-CD2 3.62Å; Y427-Y431 HydrophobicContact CE1-CE2 4.14Å; Y427-Y431 AromaticContact CZ-CD2 3.99Å; Y427-Y431 PolarHBondContact O-N 3.31Å; Y428-Y431 PolarHBondContact O-N 3.47Å; V429-Y431 VanDerWaalsContact C-N 3.33Å; Y431-F435 HydrophobicContact CD1-CB 3.91Å; Y431-F435 HydrophobicContact CD1-CD1 4.15Å; Y431-F435 HydrophobicContact CD1-CG 4.37Å; Y431-F435 HydrophobicContact CE1-CB 3.92Å; Y431-F435 AromaticContact CE1-CD1 3.49Å; Y431-F435 HydrophobicContact CE1-CD1 3.49Å; Y431-F435 VanDerWaalsContact CE1-CD1 3.49Å; Y431-F435 HydrophobicContact CE1-CE1 4.24Å; Y431-F435 AromaticContact CE1-CG 3.88Å; Y431-F435 HydrophobicContact CE1-CG 3.88Å; Y431-F435 PolarHBondContact O-N 3.39Å; Y431-D436 PolarHBondContact O-N 3.34Å; Y431-H520 AromaticContact CD1-CE1 3.73Å; Y431-H520 AromaticContact CD1-ND1 3.89Å; Y431-H520 AromaticContact CE1-CE1 3.79Å |
| 432 | L | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -61.9 | -53.1 | 179.4 | -74.5 | 164.3 | 0 | 0 | 0 | 111.5 | Y428 A437 M465 L468 I517 H520 T521 V524 | Y428-L432 WeakPolarHBondContact O-CB 3.43Å; Y428-L432 WeakPolarHBondContact O-CD1 3.36Å; Y428-L432 WeakPolarHBondContact O-CG 3.38Å; Y428-L432 PolarHBondContact O-N 3.49Å; L432-A437 WeakPolarHBondContact O-CB 3.38Å; L432-A437 PolarHBondContact O-N 3.36Å; L432-M465 HydrophobicContact CB-CG 4.36Å; L432-M465 HydrophobicContact CD2-CG 4.15Å; L432-M465 HydrophobicContact CD2-SD 3.99Å; L432-L468 HydrophobicContact CB-CD1 4.02Å; L432-L468 HydrophobicContact CD1-CD1 3.96Å; L432-I517 HydrophobicContact CD2-CG2 3.88Å; L432-H520 HydrophobicContact CD1-CB 4.4Å; L432-H520 HydrophobicContact CD2-CB 3.81Å; L432-H520 HydrophobicContact CG-CB 3.97Å; L432-T521 HydrophobicContact CD1-CG2 4.44Å; L432-T521 HydrophobicContact CD2-CG2 4.21Å; L432-V524 HydrophobicContact CD1-CG2 4.1Å |
| 433 | S | 97.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -75 | -27.6 | -175.2 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | V429 M465 L468 | V429-S433 PolarHBondContact O-N 2.93Å; V429-S433 PolarHBondContact O-OG 2.86Å; S433-M465 VanDerWaalsContact CA-O 3.25Å; S433-M465 WeakPolarHBondContact CA-O 3.49Å; S433-M465 WeakPolarHBondContact CB-O 3.22Å; S433-L468 VanDerWaalsContact CB-O 3.29Å; S433-L468 WeakPolarHBondContact CB-O 3.32Å; S433-L468 PolarHBondContact OG-O 3.49Å |
| 434 | G | 95.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 45 Ų | 45 | 42% | 0.423 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -93.4 | -61.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q430 V438 | Q430-G434 WeakPolarHBondContact O-CA 3.46Å; Q430-G434 PolarHBondContact O-N 3.19Å; G434-V438 WeakPolarHBondContact O-CG2 3.36Å |
| 435 | F | 97 | Very high | 96.6 | Very high | 116 Ų | 116 | 51.6 Ų | 51.6 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -90.8 | -55.6 | -171.6 | -177.6 | -90.6 | 0 | 0 | 0 | 111.8 | Y431 A437 V438 V439 | Y431-F435 HydrophobicContact CD1-CB 3.91Å; Y431-F435 HydrophobicContact CD1-CD1 4.15Å; Y431-F435 HydrophobicContact CD1-CG 4.37Å; Y431-F435 HydrophobicContact CE1-CB 3.92Å; Y431-F435 AromaticContact CE1-CD1 3.49Å; Y431-F435 HydrophobicContact CE1-CD1 3.49Å; Y431-F435 VanDerWaalsContact CE1-CD1 3.49Å; Y431-F435 HydrophobicContact CE1-CE1 4.24Å; Y431-F435 AromaticContact CE1-CG 3.88Å; Y431-F435 HydrophobicContact CE1-CG 3.88Å; Y431-F435 PolarHBondContact O-N 3.39Å; F435-A437 PolarHBondContact O-N 2.96Å; F435-V438 PolarHBondContact O-N 2.97Å; F435-V438 VanDerWaalsContact O-N 3.13Å; F435-V439 HydrophobicContact CD1-CG1 4.44Å; F435-V439 HydrophobicContact CD1-CG2 4.27Å; F435-V439 HydrophobicContact CE1-CG1 4.03Å; F435-V439 HydrophobicContact CE1-CG2 4.12Å; F435-V439 HydrophobicContact CE2-CG1 4.31Å; F435-V439 HydrophobicContact CZ-CG1 3.96Å; F435-V439 PolarHBondContact O-N 2.91Å; F435-V439 VanDerWaalsContact O-N 3.14Å |
| 436 | D | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -62.9 | -42.4 | -171.8 | -65.2 | -26.7 | 0 | 0 | 0 | 112.1 | Y431 V438 V439 L440 M465 I517 H520 | Y431-D436 PolarHBondContact O-N 3.34Å; D436-V438 VanDerWaalsContact C-N 3.28Å; D436-V438 PolarHBondContact O-N 3.13Å; D436-V439 WeakPolarHBondContact O-CG2 3.26Å; D436-V439 PolarHBondContact O-N 3.46Å; D436-L440 VanDerWaalsContact O-CB 3.23Å; D436-L440 WeakPolarHBondContact O-CB 3.42Å; D436-L440 PolarHBondContact O-N 2.97Å; D436-M465 HydrophobicContact CB-SD 3.99Å; D436-I517 HydrophobicContact CB-CD1 4.07Å; D436-I517 HydrophobicContact CB-CG1 3.87Å; D436-H520 IonicContact OD1-CE1 2.8Å; D436-H520 IonicContact OD1-ND1 3.78Å; D436-H520 IonicContact OD2-CE1 3.51Å; D436-H520 IonicContact OD2-CG 3.91Å; D436-H520 IonicContact OD2-ND1 2.73Å; D436-H520 PolarHBondContact OD2-ND1 2.83Å |
| 437 | A | 97.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L432 F435 N441 M465 T466 | L432-A437 WeakPolarHBondContact O-CB 3.38Å; L432-A437 PolarHBondContact O-N 3.36Å; F435-A437 PolarHBondContact O-N 2.96Å; A437-N441 WeakPolarHBondContact O-CB 3.3Å; A437-N441 PolarHBondContact O-N 2.76Å; A437-M465 HydrophobicContact CB-CB 3.99Å; A437-M465 HydrophobicContact CB-CE 4.29Å; A437-T466 HydrophobicContact CB-CG2 3.68Å |
| 438 | V | 96.9 | Very high | 95.2 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 55% | 0.552 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.5 | -51.2 | -179.1 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | G434 F435 D436 N441 E442 | G434-V438 WeakPolarHBondContact O-CG2 3.36Å; F435-V438 PolarHBondContact O-N 2.97Å; F435-V438 VanDerWaalsContact O-N 3.13Å; D436-V438 VanDerWaalsContact C-N 3.28Å; D436-V438 PolarHBondContact O-N 3.13Å; V438-N441 PolarHBondContact O-N 2.71Å; V438-E442 PolarHBondContact O-N 3.27Å |
| 439 | V | 95.5 | Very high | 94.6 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -37 | -178 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | F435 D436 M443 M513 | F435-V439 HydrophobicContact CD1-CG1 4.44Å; F435-V439 HydrophobicContact CD1-CG2 4.27Å; F435-V439 HydrophobicContact CE1-CG1 4.03Å; F435-V439 HydrophobicContact CE1-CG2 4.12Å; F435-V439 HydrophobicContact CE2-CG1 4.31Å; F435-V439 HydrophobicContact CZ-CG1 3.96Å; F435-V439 PolarHBondContact O-N 2.91Å; F435-V439 VanDerWaalsContact O-N 3.14Å; D436-V439 WeakPolarHBondContact O-CG2 3.26Å; D436-V439 PolarHBondContact O-N 3.46Å; V439-M443 PolarHBondContact O-N 3.04Å; V439-M443 VanDerWaalsContact O-N 3.09Å; V439-M513 HydrophobicContact CB-SD 4.16Å; V439-M513 HydrophobicContact CG2-SD 3.75Å |
| 440 | L | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 174.5 | 179.1 | 62.1 | 0 | 0 | 0 | 110.3 | D436 E442 M443 V444 F461 V462 M465 L510 M513 M514 I517 | D436-L440 VanDerWaalsContact O-CB 3.23Å; D436-L440 WeakPolarHBondContact O-CB 3.42Å; D436-L440 PolarHBondContact O-N 2.97Å; L440-E442 VanDerWaalsContact C-N 3.34Å; L440-E442 PolarHBondContact O-N 2.89Å; L440-M443 PolarHBondContact O-N 3.03Å; L440-M443 VanDerWaalsContact O-N 3.14Å; L440-V444 HydrophobicContact CD1-CG2 3.95Å; L440-V444 HydrophobicContact CG-CG2 4.03Å; L440-V444 WeakPolarHBondContact O-CG2 3.4Å; L440-V444 PolarHBondContact O-N 3.08Å; L440-F461 HydrophobicContact CD2-CB 3.72Å; L440-F461 HydrophobicContact CD2-CD2 4.34Å; L440-V462 HydrophobicContact CB-CG2 4.48Å; L440-V462 HydrophobicContact CD2-CG2 3.98Å; L440-V462 HydrophobicContact CG-CG2 4.06Å; L440-M465 HydrophobicContact CB-CE 4.17Å; L440-M465 HydrophobicContact CD2-CE 3.37Å; L440-M465 HydrophobicContact CG-CE 4.36Å; L440-L510 HydrophobicContact CD1-CD1 3.99Å; L440-M513 HydrophobicContact CB-CE 4.15Å; L440-M513 HydrophobicContact CD1-CE 3.49Å; L440-M513 VanDerWaalsContact CD1-CE 3.49Å; L440-M513 HydrophobicContact CG-CE 4.42Å; L440-M514 HydrophobicContact CD1-SD 3.65Å; L440-M514 HydrophobicContact CD2-SD 3.8Å; L440-M514 HydrophobicContact CG-SD 4.38Å; L440-I517 HydrophobicContact CB-CD1 4.08Å; L440-I517 HydrophobicContact CD2-CD1 4.19Å |
| 441 | N | 95.2 | Very high | 93.5 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | -179.9 | -176.2 | 62.5 | 0 | 0 | 0 | 111.8 | A437 V438 M443 V444 Q445 V462 | A437-N441 WeakPolarHBondContact O-CB 3.3Å; A437-N441 PolarHBondContact O-N 2.76Å; V438-N441 PolarHBondContact O-N 2.71Å; N441-M443 VanDerWaalsContact C-N 3.31Å; N441-M443 PolarHBondContact O-N 3.31Å; N441-V444 PolarHBondContact O-N 3.34Å; N441-Q445 VanDerWaalsContact O-CG 3.28Å; N441-Q445 WeakPolarHBondContact O-CG 3.33Å; N441-Q445 PolarHBondContact O-N 3.32Å; N441-V462 HydrophobicContact CB-CG1 4.05Å; N441-V462 HydrophobicContact CB-CG2 4.06Å |
| 442 | E | 95.1 | Very high | 93.2 | Very high | 122 Ų | 122 | 63.3 Ų | 63.3 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.6 | -44.1 | 175.2 | -174.8 | 178.2 | 174.3 | 0 | 0 | 111.9 | V438 L440 N446 | V438-E442 PolarHBondContact O-N 3.27Å; L440-E442 VanDerWaalsContact C-N 3.34Å; L440-E442 PolarHBondContact O-N 2.89Å; E442-N446 PolarHBondContact O-N 3.45Å; E442-N446 PolarHBondContact O-ND2 3.35Å |
| 443 | M | 93.6 | Very high | 92.8 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 28% | 0.276 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 178 | -166.3 | 175.4 | -65.7 | 0 | 0 | 112.4 | V439 L440 N441 N446 E509 L510 M513 | V439-M443 PolarHBondContact O-N 3.04Å; V439-M443 VanDerWaalsContact O-N 3.09Å; L440-M443 PolarHBondContact O-N 3.03Å; L440-M443 VanDerWaalsContact O-N 3.14Å; N441-M443 VanDerWaalsContact C-N 3.31Å; N441-M443 PolarHBondContact O-N 3.31Å; M443-N446 PolarHBondContact O-N 3.25Å; M443-E509 HydrophobicContact CE-CB 4.33Å; M443-L510 WeakPolarHBondContact SD-CA 3.5Å; M443-L510 HydrophobicContact SD-CB 3.69Å; M443-L510 HydrophobicContact SD-CD1 3.88Å; M443-L510 HydrophobicContact SD-CG 4.4Å; M443-M513 HydrophobicContact CB-CE 3.9Å; M443-M513 HydrophobicContact CE-CE 3.57Å; M443-M513 HydrophobicContact CE-SD 3.83Å; M443-M513 HydrophobicContact CG-CE 4.26Å; M443-M513 HydrophobicContact SD-CE 3.42Å; M443-M513 WeakPolarHBondContact SD-CE 3.45Å; M443-M513 HydrophobicContact SD-SD 4.48Å |
| 444 | V | 92.2 | Very high | 92.5 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | L440 N441 N446 L447 M458 | L440-V444 HydrophobicContact CD1-CG2 3.95Å; L440-V444 HydrophobicContact CG-CG2 4.03Å; L440-V444 WeakPolarHBondContact O-CG2 3.4Å; L440-V444 PolarHBondContact O-N 3.08Å; N441-V444 PolarHBondContact O-N 3.34Å; V444-N446 PolarHBondContact O-N 3.3Å; V444-L447 WeakPolarHBondContact O-CB 3.21Å; V444-L447 PolarHBondContact O-N 3.04Å; V444-L447 VanDerWaalsContact O-N 3.16Å; V444-M458 HydrophobicContact CB-CE 4.1Å; V444-M458 HydrophobicContact CG1-CB 4.15Å; V444-M458 HydrophobicContact CG1-CE 4.08Å; V444-M458 HydrophobicContact CG1-SD 4.4Å; V444-M458 HydrophobicContact CG2-CB 4.24Å; V444-M458 HydrophobicContact CG2-CE 3.39Å |
| 445 | Q | 91.3 | Very high | 92.4 | Very high | 138 Ų | 138 | 67.4 Ų | 67.4 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.6 | -23.9 | -179.5 | -65.4 | -59.7 | -36.8 | 0 | 0 | 113 | N441 L447 | N441-Q445 VanDerWaalsContact O-CG 3.28Å; N441-Q445 WeakPolarHBondContact O-CG 3.33Å; N441-Q445 PolarHBondContact O-N 3.32Å; Q445-L447 VanDerWaalsContact C-N 3.33Å |
| 446 | N | 92.4 | Very high | 92.3 | Very high | 123 Ų | 123 | 66.3 Ų | 66.3 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.3 | 178.3 | -71.8 | -34.5 | 0 | 0 | 0 | 113.8 | E442 M443 V444 S448 | E442-N446 PolarHBondContact O-N 3.45Å; E442-N446 PolarHBondContact O-ND2 3.35Å; M443-N446 PolarHBondContact O-N 3.25Å; V444-N446 PolarHBondContact O-N 3.3Å; N446-S448 PolarHBondContact O-N 3.23Å |
| 447 | L | 91.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 14% | 0.141 | 37% | 0.369 | C | S | . | . | trans | -75.6 | 121 | 174.6 | -64.2 | 178.9 | 0 | 0 | 0 | 110.5 | V444 Q445 M458 L502 | V444-L447 WeakPolarHBondContact O-CB 3.21Å; V444-L447 PolarHBondContact O-N 3.04Å; V444-L447 VanDerWaalsContact O-N 3.16Å; Q445-L447 VanDerWaalsContact C-N 3.33Å; L447-M458 HydrophobicContact CD1-CE 3.75Å; L447-M458 HydrophobicContact CD1-SD 3.88Å; L447-L502 HydrophobicContact CD1-CD1 4.27Å; L447-L502 HydrophobicContact CD1-CD2 4.19Å; L447-L502 HydrophobicContact CD2-CD1 4.12Å | ||
| 448 | S | 84.4 | Confident | 92.1 | Very high | 118 Ų | 118 | 66.9 Ų | 66.9 | 83% | 0.825 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -76.2 | -27.6 | -176.7 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | N446 | N446-S448 PolarHBondContact O-N 3.23Š|
| 449 | V | 84.6 | Confident | 91.9 | Very high | 84 Ų | 84 | 65 Ų | 65 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | trans | -144.2 | 119.3 | 179.1 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | S501 | V449-S501 WeakPolarHBondContact CG1-OG 3.36Š| ||
| 450 | C | 84.5 | Confident | 92 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 28% | 0.277 | 36% | 0.363 | S | S | . | . | trans | -144.7 | 123.9 | 175 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | E454 | C450-E454 VanDerWaalsContact SG-CB 3.55Š| ||
| 451 | P | 89.5 | Confident | 92.1 | Very high | 43 Ų | 43 | 65.3 Ų | 65.3 | 28% | 0.279 | 36% | 0.363 | S | S | . | . | trans | -67.3 | 167.2 | 176.2 | -10.1 | 24.2 | 0 | 0 | 0 | 112.4 | D453 E454 S455 | P451-D453 PolarHBondContact O-N 3.11Å; P451-E454 WeakPolarHBondContact CB-OE2 3.43Å; P451-E454 WeakPolarHBondContact CG-OE2 3.4Å; P451-E454 PolarHBondContact O-N 3.28Å; P451-S455 VanDerWaalsContact O-CB 3.32Å; P451-S455 WeakPolarHBondContact O-CB 3.47Å; P451-S455 PolarHBondContact O-N 3.04Å | ||
| 452 | E | 90.6 | Very high | 92.2 | Very high | 152 Ų | 152 | 62.7 Ų | 62.7 | 71% | 0.71 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.3 | -45.7 | -172.5 | -174.2 | 175.2 | -175.3 | 0 | 0 | 112.5 | E454 S455 I456 | E452-E454 PolarHBondContact O-N 2.99Å; E452-S455 PolarHBondContact O-N 3.4Å; E452-I456 HydrophobicContact CG-CD1 3.8Å; E452-I456 HydrophobicContact CG-CG1 4.41Å; E452-I456 VanDerWaalsContact O-CG1 3.25Å; E452-I456 WeakPolarHBondContact O-CG1 3.2Å; E452-I456 PolarHBondContact O-N 2.85Å |
| 453 | D | 90.3 | Very high | 92.3 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 51% | 0.508 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | -178.1 | -67.4 | -17.2 | 0 | 0 | 0 | 111.8 | P451 I456 I457 | P451-D453 PolarHBondContact O-N 3.11Å; D453-I456 PolarHBondContact O-N 2.77Å; D453-I457 WeakPolarHBondContact O-CG1 3.38Å; D453-I457 PolarHBondContact O-N 2.91Å |
| 454 | E | 92.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 61.1 Ų | 61.1 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.8 | -66.8 | 91 | 154.1 | 0 | 0 | 111.8 | C450 P451 E452 I457 M458 L491 T495 | C450-E454 VanDerWaalsContact SG-CB 3.55Å; P451-E454 WeakPolarHBondContact CB-OE2 3.43Å; P451-E454 WeakPolarHBondContact CG-OE2 3.4Å; P451-E454 PolarHBondContact O-N 3.28Å; E452-E454 PolarHBondContact O-N 2.99Å; E454-I457 PolarHBondContact O-N 2.9Å; E454-M458 WeakPolarHBondContact O-CB 3.42Å; E454-M458 VanDerWaalsContact O-CG 3.29Å; E454-M458 WeakPolarHBondContact O-CG 3.46Å; E454-M458 PolarHBondContact O-N 3.44Å; E454-L491 HydrophobicContact CB-CD1 3.7Å; E454-L491 HydrophobicContact CG-CD1 3.47Å; E454-L491 VanDerWaalsContact CG-CD1 3.47Å; E454-T495 HydrophobicContact CG-CG2 4.29Å |
| 455 | S | 93 | Very high | 92.8 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 38% | 0.378 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 177.8 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | P451 E452 M458 S459 | P451-S455 VanDerWaalsContact O-CB 3.32Å; P451-S455 WeakPolarHBondContact O-CB 3.47Å; P451-S455 PolarHBondContact O-N 3.04Å; E452-S455 PolarHBondContact O-N 3.4Å; S455-M458 PolarHBondContact O-N 3.05Å; S455-S459 WeakPolarHBondContact O-CB 3.34Å; S455-S459 PolarHBondContact O-N 3.4Å; S455-S459 PolarHBondContact O-OG 2.85Å |
| 456 | I | 95.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.2 | -71.3 | 166.2 | 0 | 0 | 0 | 110.5 | E452 D453 S459 S460 | E452-I456 HydrophobicContact CG-CD1 3.8Å; E452-I456 HydrophobicContact CG-CG1 4.41Å; E452-I456 VanDerWaalsContact O-CG1 3.25Å; E452-I456 WeakPolarHBondContact O-CG1 3.2Å; E452-I456 PolarHBondContact O-N 2.85Å; D453-I456 PolarHBondContact O-N 2.77Å; I456-S459 PolarHBondContact O-OG 3Å; I456-S460 VanDerWaalsContact O-CB 3.29Å; I456-S460 WeakPolarHBondContact O-CB 3.37Å; I456-S460 PolarHBondContact O-N 3.49Å |
| 457 | I | 95.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.092 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 178.9 | -70.3 | 171.9 | 0 | 0 | 0 | 110.8 | D453 E454 S459 S460 F461 D487 L491 Y494 | D453-I457 WeakPolarHBondContact O-CG1 3.38Å; D453-I457 PolarHBondContact O-N 2.91Å; E454-I457 PolarHBondContact O-N 2.9Å; I457-S459 PolarHBondContact O-N 3.4Å; I457-S460 WeakPolarHBondContact O-CB 3.34Å; I457-S460 PolarHBondContact O-N 3.45Å; I457-F461 HydrophobicContact CG2-CD2 4.44Å; I457-F461 HydrophobicContact CG2-CE1 3.74Å; I457-F461 HydrophobicContact CG2-CE2 3.63Å; I457-F461 HydrophobicContact CG2-CZ 3.21Å; I457-F461 WeakPolarHBondContact O-CG 3.44Å; I457-F461 PolarHBondContact O-N 2.94Å; I457-F461 VanDerWaalsContact O-N 3.07Å; I457-D487 HydrophobicContact CG2-CB 3.98Å; I457-L491 HydrophobicContact CG2-CB 4.34Å; I457-L491 HydrophobicContact CG2-CD2 4.29Å; I457-Y494 HydrophobicContact CD1-CD2 4.41Å; I457-Y494 HydrophobicContact CD1-CE2 3.93Å |
| 458 | M | 94.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -39.3 | -177.8 | -70.4 | -177 | 81.9 | 0 | 0 | 112.8 | V444 L447 E454 S455 F461 V462 L491 L502 L510 | V444-M458 HydrophobicContact CB-CE 4.1Å; V444-M458 HydrophobicContact CG1-CB 4.15Å; V444-M458 HydrophobicContact CG1-CE 4.08Å; V444-M458 HydrophobicContact CG1-SD 4.4Å; V444-M458 HydrophobicContact CG2-CB 4.24Å; V444-M458 HydrophobicContact CG2-CE 3.39Å; L447-M458 HydrophobicContact CD1-CE 3.75Å; L447-M458 HydrophobicContact CD1-SD 3.88Å; E454-M458 WeakPolarHBondContact O-CB 3.42Å; E454-M458 VanDerWaalsContact O-CG 3.29Å; E454-M458 WeakPolarHBondContact O-CG 3.46Å; E454-M458 PolarHBondContact O-N 3.44Å; S455-M458 PolarHBondContact O-N 3.05Å; M458-F461 WeakPolarHBondContact O-CB 3.32Å; M458-F461 PolarHBondContact O-N 3.41Å; M458-V462 PolarHBondContact O-N 3.32Å; M458-L491 HydrophobicContact CG-CD2 3.69Å; M458-L491 HydrophobicContact SD-CD2 4.39Å; M458-L502 HydrophobicContact SD-CD2 4.47Å; M458-L510 HydrophobicContact CE-CD1 3.76Å; M458-L510 HydrophobicContact CE-CD2 3.8Å; M458-L510 HydrophobicContact CE-CG 4.43Å |
| 459 | S | 93.7 | Very high | 94.2 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 174.2 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | S455 I456 I457 F461 V462 N463 | S455-S459 WeakPolarHBondContact O-CB 3.34Å; S455-S459 PolarHBondContact O-N 3.4Å; S455-S459 PolarHBondContact O-OG 2.85Å; I456-S459 PolarHBondContact O-OG 3Å; I457-S459 PolarHBondContact O-N 3.4Å; S459-F461 VanDerWaalsContact C-N 3.3Å; S459-F461 PolarHBondContact O-N 3.17Å; S459-V462 PolarHBondContact O-N 2.77Å; S459-N463 VanDerWaalsContact O-CG 3.27Å; S459-N463 PolarHBondContact O-N 3.32Å; S459-N463 PolarHBondContact O-ND2 2.91Å |
| 460 | S | 97.4 | Very high | 94.8 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 172.9 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | I456 I457 N463 T464 | I456-S460 VanDerWaalsContact O-CB 3.29Å; I456-S460 WeakPolarHBondContact O-CB 3.37Å; I456-S460 PolarHBondContact O-N 3.49Å; I457-S460 WeakPolarHBondContact O-CB 3.34Å; I457-S460 PolarHBondContact O-N 3.45Å; S460-N463 PolarHBondContact O-N 3.35Å; S460-T464 VanDerWaalsContact O-CB 3.31Å; S460-T464 WeakPolarHBondContact O-CB 3.43Å; S460-T464 PolarHBondContact O-N 3.39Å; S460-T464 PolarHBondContact O-OG1 3.42Å |
| 461 | F | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 174.5 | -61.1 | -24.2 | 0 | 0 | 0 | 112.1 | L440 I457 M458 S459 N463 T464 M465 M484 D487 W488 L491 M514 | L440-F461 HydrophobicContact CD2-CB 3.72Å; L440-F461 HydrophobicContact CD2-CD2 4.34Å; I457-F461 HydrophobicContact CG2-CD2 4.44Å; I457-F461 HydrophobicContact CG2-CE1 3.74Å; I457-F461 HydrophobicContact CG2-CE2 3.63Å; I457-F461 HydrophobicContact CG2-CZ 3.21Å; I457-F461 WeakPolarHBondContact O-CG 3.44Å; I457-F461 PolarHBondContact O-N 2.94Å; I457-F461 VanDerWaalsContact O-N 3.07Å; M458-F461 WeakPolarHBondContact O-CB 3.32Å; M458-F461 PolarHBondContact O-N 3.41Å; S459-F461 VanDerWaalsContact C-N 3.3Å; S459-F461 PolarHBondContact O-N 3.17Å; F461-N463 PolarHBondContact O-N 2.94Å; F461-T464 PolarHBondContact O-N 3.45Å; F461-M465 HydrophobicContact CB-CE 4.38Å; F461-M465 WeakPolarHBondContact O-CE 3.31Å; F461-M465 WeakPolarHBondContact O-CG 3.41Å; F461-M465 PolarHBondContact O-N 3.43Å; F461-M484 HydrophobicContact CB-CE 4.09Å; F461-M484 HydrophobicContact CD1-CE 4.14Å; F461-M484 HydrophobicContact CD1-CG 3.71Å; F461-M484 HydrophobicContact CE1-CG 3.9Å; F461-M484 HydrophobicContact CG-CE 4.23Å; F461-D487 HydrophobicContact CE1-CB 3.82Å; F461-D487 HydrophobicContact CZ-CB 4.09Å; F461-W488 HydrophobicContact CZ-CB 4.08Å; F461-L491 HydrophobicContact CE2-CD2 4.15Å; F461-M514 HydrophobicContact CD2-CE 3.55Å; F461-M514 HydrophobicContact CD2-SD 4.02Å; F461-M514 HydrophobicContact CE2-CE 3.6Å; F461-M514 HydrophobicContact CE2-SD 4.34Å; F461-M514 HydrophobicContact CG-CE 4.22Å; F461-M514 HydrophobicContact CZ-CE 4.29Å |
| 462 | V | 97.2 | Very high | 95.8 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 179.6 | 178.5 | 0 | 0 | 0 | 0 | 111 | L440 N441 M458 S459 T464 M465 T466 | L440-V462 HydrophobicContact CB-CG2 4.48Å; L440-V462 HydrophobicContact CD2-CG2 3.98Å; L440-V462 HydrophobicContact CG-CG2 4.06Å; N441-V462 HydrophobicContact CB-CG1 4.05Å; N441-V462 HydrophobicContact CB-CG2 4.06Å; M458-V462 PolarHBondContact O-N 3.32Å; S459-V462 PolarHBondContact O-N 2.77Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 2.89Å; V462-M465 HydrophobicContact CG2-CE 4.49Å; V462-M465 PolarHBondContact O-N 3.05Å; V462-T466 HydrophobicContact CG1-CG2 4.29Å; V462-T466 WeakPolarHBondContact O-CB 3.5Å; V462-T466 WeakPolarHBondContact O-CG2 3.21Å; V462-T466 PolarHBondContact O-N 2.92Å; V462-T466 PolarHBondContact O-OG1 3.02Å |
| 463 | N | 97 | Very high | 96 | Very high | 104 Ų | 104 | 45.9 Ų | 45.9 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 177.8 | -69.7 | -25 | 0 | 0 | 0 | 111.8 | S459 S460 F461 T466 S467 | S459-N463 VanDerWaalsContact O-CG 3.27Å; S459-N463 PolarHBondContact O-N 3.32Å; S459-N463 PolarHBondContact O-ND2 2.91Å; S460-N463 PolarHBondContact O-N 3.35Å; F461-N463 PolarHBondContact O-N 2.94Å; N463-T466 PolarHBondContact O-OG1 2.88Å; N463-S467 WeakPolarHBondContact O-CB 3.3Å; N463-S467 PolarHBondContact O-N 3.03Å; N463-S467 VanDerWaalsContact O-N 3.15Å |
| 464 | T | 98 | Very high | 96.3 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 178.1 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | S460 F461 V462 S467 F481 M484 | S460-T464 VanDerWaalsContact O-CB 3.31Å; S460-T464 WeakPolarHBondContact O-CB 3.43Å; S460-T464 PolarHBondContact O-N 3.39Å; S460-T464 PolarHBondContact O-OG1 3.42Å; F461-T464 PolarHBondContact O-N 3.45Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 2.89Å; T464-S467 PolarHBondContact O-N 3.25Å; T464-S467 PolarHBondContact O-OG 2.93Å; T464-F481 HydrophobicContact CG2-CD1 4.18Å; T464-F481 HydrophobicContact CG2-CE1 3.93Å; T464-M484 HydrophobicContact CG2-SD 4.29Å |
| 465 | M | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | -178.6 | -68.8 | -177.8 | -65.5 | 0 | 0 | 112.7 | L432 S433 D436 A437 L440 F461 V462 S467 L468 M484 I517 | L432-M465 HydrophobicContact CB-CG 4.36Å; L432-M465 HydrophobicContact CD2-CG 4.15Å; L432-M465 HydrophobicContact CD2-SD 3.99Å; S433-M465 VanDerWaalsContact CA-O 3.25Å; S433-M465 WeakPolarHBondContact CA-O 3.49Å; S433-M465 WeakPolarHBondContact CB-O 3.22Å; D436-M465 HydrophobicContact CB-SD 3.99Å; A437-M465 HydrophobicContact CB-CB 3.99Å; A437-M465 HydrophobicContact CB-CE 4.29Å; L440-M465 HydrophobicContact CB-CE 4.17Å; L440-M465 HydrophobicContact CD2-CE 3.37Å; L440-M465 HydrophobicContact CG-CE 4.36Å; F461-M465 HydrophobicContact CB-CE 4.38Å; F461-M465 WeakPolarHBondContact O-CE 3.31Å; F461-M465 WeakPolarHBondContact O-CG 3.41Å; F461-M465 PolarHBondContact O-N 3.43Å; V462-M465 HydrophobicContact CG2-CE 4.49Å; V462-M465 PolarHBondContact O-N 3.05Å; M465-S467 PolarHBondContact O-N 3.35Å; M465-L468 WeakPolarHBondContact O-CB 3.43Å; M465-L468 PolarHBondContact O-N 3.05Å; M465-L468 VanDerWaalsContact O-N 3.14Å; M465-M484 HydrophobicContact CG-CE 4.06Å; M465-M484 HydrophobicContact SD-CE 4.15Å; M465-I517 HydrophobicContact SD-CD1 4.32Å; M465-I517 HydrophobicContact SD-CG2 3.67Å |
| 466 | T | 96.9 | Very high | 96.5 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.2 | -23.4 | 180 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | A437 V462 N463 L468 | A437-T466 HydrophobicContact CB-CG2 3.68Å; V462-T466 HydrophobicContact CG1-CG2 4.29Å; V462-T466 WeakPolarHBondContact O-CB 3.5Å; V462-T466 WeakPolarHBondContact O-CG2 3.21Å; V462-T466 PolarHBondContact O-N 2.92Å; V462-T466 PolarHBondContact O-OG1 3.02Å; N463-T466 PolarHBondContact O-OG1 2.88Å; T466-L468 PolarHBondContact O-N 2.54Å |
| 467 | S | 96.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 54% | 0.538 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.9 | 175.3 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | N463 T464 M465 | N463-S467 WeakPolarHBondContact O-CB 3.3Å; N463-S467 PolarHBondContact O-N 3.03Å; N463-S467 VanDerWaalsContact O-N 3.15Å; T464-S467 PolarHBondContact O-N 3.25Å; T464-S467 PolarHBondContact O-OG 2.93Å; M465-S467 PolarHBondContact O-N 3.35Å |
| 468 | L | 97.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | trans | -80.1 | 141 | -177.7 | -56.3 | 172.7 | 0 | 0 | 0 | 112 | V429 L432 S433 M465 T466 F479 F481 | V429-L468 HydrophobicContact CG1-CB 3.89Å; L432-L468 HydrophobicContact CB-CD1 4.02Å; L432-L468 HydrophobicContact CD1-CD1 3.96Å; S433-L468 VanDerWaalsContact CB-O 3.29Å; S433-L468 WeakPolarHBondContact CB-O 3.32Å; S433-L468 PolarHBondContact OG-O 3.49Å; M465-L468 WeakPolarHBondContact O-CB 3.43Å; M465-L468 PolarHBondContact O-N 3.05Å; M465-L468 VanDerWaalsContact O-N 3.14Å; T466-L468 PolarHBondContact O-N 2.54Å; L468-F479 HydrophobicContact CD2-CD1 4.24Å; L468-F479 HydrophobicContact CD2-CE1 4.2Å; L468-F481 HydrophobicContact CD1-CE1 4.07Å; L468-F481 HydrophobicContact CD1-CZ 3.72Å; L468-F481 HydrophobicContact CD2-CE1 4.09Å; L468-F481 HydrophobicContact CD2-CZ 3.73Å; L468-F481 HydrophobicContact CG-CZ 4.37Å | ||
| 469 | S | 96.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | trans | -143.4 | 155.1 | 174.7 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | V429 K471 Q472 | V429-S469 VanDerWaalsContact CG1-C 3.46Å; S469-K471 PolarHBondContact O-N 2.85Å; S469-Q472 PolarHBondContact O-N 2.68Å | ||
| 470 | V | 97.2 | Very high | 96.8 | Very high | 39 Ų | 39 | 58 Ų | 58 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.4 | -22.2 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | R426 Q430 Q472 V473 E474 | R426-V470 HydrophobicContact CG-CB 4.4Å; R426-V470 HydrophobicContact CG-CG1 3.98Å; Q430-V470 HydrophobicContact CG-CG1 3.32Å; V470-Q472 VanDerWaalsContact C-N 3.3Å; V470-Q472 PolarHBondContact O-N 3.39Å; V470-V473 PolarHBondContact O-N 3.25Å; V470-E474 PolarHBondContact O-N 3.45Å |
| 471 | K | 96.7 | Very high | 96.8 | Very high | 104 Ų | 104 | 56.2 Ų | 56.2 | 45% | 0.452 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 180 | -176.7 | 54.1 | -179.1 | 147.2 | 0 | 111.8 | S469 V473 E474 D475 | S469-K471 PolarHBondContact O-N 2.85Å; K471-V473 VanDerWaalsContact C-N 3.28Å; K471-V473 PolarHBondContact O-N 3.35Å; K471-E474 PolarHBondContact O-N 3.42Å; K471-D475 WeakPolarHBondContact CE-OD1 3.39Å; K471-D475 WeakPolarHBondContact CE-OD2 3.21Å; K471-D475 IonicContact NZ-OD1 2.99Å; K471-D475 PolarHBondContact NZ-OD1 3.47Å; K471-D475 IonicContact NZ-OD2 3.63Å; K471-D475 PolarHBondContact NZ-OD2 3.05Å; K471-D475 WeakPolarHBondContact O-CB 3.31Å; K471-D475 VanDerWaalsContact O-CG 3.29Å; K471-D475 PolarHBondContact O-N 2.91Å |
| 472 | Q | 97.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 63.7 Ų | 63.7 | 23% | 0.234 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 177.3 | -63.5 | 170.9 | -66.6 | 0 | 0 | 111.8 | S469 V470 G476 D477 F479 | S469-Q472 PolarHBondContact O-N 2.68Å; V470-Q472 VanDerWaalsContact C-N 3.3Å; V470-Q472 PolarHBondContact O-N 3.39Å; Q472-G476 PolarHBondContact O-N 3.41Å; Q472-G476 VanDerWaalsContact O-N 3.14Å; Q472-D477 WeakPolarHBondContact CA-OD2 3.49Å; Q472-D477 HydrophobicContact CB-CB 4.15Å; Q472-D477 VanDerWaalsContact CB-OD2 3.3Å; Q472-D477 WeakPolarHBondContact CB-OD2 3.47Å; Q472-D477 WeakPolarHBondContact CG-OD2 3.18Å; Q472-D477 WeakPolarHBondContact O-CB 3.36Å; Q472-D477 PolarHBondContact O-N 3.11Å; Q472-F479 HydrophobicContact CB-CE1 3.85Å; Q472-F479 HydrophobicContact CB-CZ 3.63Å |
| 473 | V | 96.6 | Very high | 96.8 | Very high | 15 Ų | 15 | 65 Ų | 65 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 111 | Q425 R426 V429 V470 K471 D475 G476 F479 | Q425-V473 HydrophobicContact CB-CG1 3.87Å; Q425-V473 HydrophobicContact CB-CG2 4.16Å; R426-V473 HydrophobicContact CB-CG1 4.22Å; V429-V473 HydrophobicContact CB-CG2 4.33Å; V429-V473 HydrophobicContact CG2-CG2 3.9Å; V470-V473 PolarHBondContact O-N 3.25Å; K471-V473 VanDerWaalsContact C-N 3.28Å; K471-V473 PolarHBondContact O-N 3.35Å; V473-D475 VanDerWaalsContact C-N 3.27Å; V473-D475 PolarHBondContact O-N 3.36Å; V473-G476 PolarHBondContact O-N 3.33Å; V473-G476 VanDerWaalsContact O-N 3.14Å; V473-F479 HydrophobicContact CG2-CE2 3.95Å; V473-F479 HydrophobicContact CG2-CZ 3.69Å |
| 474 | E | 95.1 | Very high | 96.9 | Very high | 105 Ų | 105 | 60.6 Ų | 60.6 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.7 | -33 | 176.6 | -69.5 | 174.4 | 175.5 | 0 | 0 | 112.3 | R426 V470 K471 G476 | R426-E474 IonicContact CZ-OE1 2.86Å; R426-E474 VanDerWaalsContact CZ-OE1 3.25Å; R426-E474 IonicContact NH1-OE1 3.93Å; R426-E474 PolarHBondContact NH1-OE1 3.3Å; R426-E474 IonicContact NH2-OE1 3.58Å; R426-E474 PolarHBondContact NH2-OE1 3.5Å; V470-E474 PolarHBondContact O-N 3.45Å; K471-E474 PolarHBondContact O-N 3.42Å; E474-G476 VanDerWaalsContact C-N 3.28Å |
| 475 | D | 96.1 | Very high | 96.9 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -79.9 | -10.3 | 175.7 | -67.4 | -22.3 | 0 | 0 | 0 | 112.9 | K471 V473 | K471-D475 WeakPolarHBondContact CE-OD1 3.39Å; K471-D475 WeakPolarHBondContact CE-OD2 3.21Å; K471-D475 IonicContact NZ-OD1 2.99Å; K471-D475 PolarHBondContact NZ-OD1 3.47Å; K471-D475 IonicContact NZ-OD2 3.63Å; K471-D475 PolarHBondContact NZ-OD2 3.05Å; K471-D475 WeakPolarHBondContact O-CB 3.31Å; K471-D475 VanDerWaalsContact O-CG 3.29Å; K471-D475 PolarHBondContact O-N 2.91Å; V473-D475 VanDerWaalsContact C-N 3.27Å; V473-D475 PolarHBondContact O-N 3.36Å |
| 476 | G | 94.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 62.7 Ų | 62.7 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 29.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q472 V473 E474 | Q472-G476 PolarHBondContact O-N 3.41Å; Q472-G476 VanDerWaalsContact O-N 3.14Å; V473-G476 PolarHBondContact O-N 3.33Å; V473-G476 VanDerWaalsContact O-N 3.14Å; E474-G476 VanDerWaalsContact C-N 3.28Å |
| 477 | D | 95.3 | Very high | 97 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 40% | 0.401 | 34% | 0.338 | S | S | . | . | trans | -59.8 | 143.1 | 178.4 | -73.3 | -15.7 | 0 | 0 | 0 | 111.5 | Q472 F479 | Q472-D477 WeakPolarHBondContact CA-OD2 3.49Å; Q472-D477 HydrophobicContact CB-CB 4.15Å; Q472-D477 VanDerWaalsContact CB-OD2 3.3Å; Q472-D477 WeakPolarHBondContact CB-OD2 3.47Å; Q472-D477 WeakPolarHBondContact CG-OD2 3.18Å; Q472-D477 WeakPolarHBondContact O-CB 3.36Å; Q472-D477 PolarHBondContact O-N 3.11Å; D477-F479 WeakPolarHBondContact O-CD2 3.3Å; D477-F479 WeakPolarHBondContact O-CE2 3.41Å; D477-F479 PolarHBondContact O-N 2.85Å | ||
| 478 | V | 95.1 | Very high | 97.1 | Very high | 145 Ų | 145 | 57 Ų | 57 | 88% | 0.879 | 31% | 0.312 | S | S | * | . | trans | -87.2 | 107.1 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 479 | F | 97.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | trans | -75.4 | 150 | 175.3 | -58.5 | -89 | 0 | 0 | 0 | 111.2 | V429 L468 Q472 V473 D477 F481 V524 D525 | V429-F479 HydrophobicContact CG2-CE1 4.25Å; V429-F479 HydrophobicContact CG2-CZ 4.22Å; L468-F479 HydrophobicContact CD2-CD1 4.24Å; L468-F479 HydrophobicContact CD2-CE1 4.2Å; Q472-F479 HydrophobicContact CB-CE1 3.85Å; Q472-F479 HydrophobicContact CB-CZ 3.63Å; V473-F479 HydrophobicContact CG2-CE2 3.95Å; V473-F479 HydrophobicContact CG2-CZ 3.69Å; D477-F479 WeakPolarHBondContact O-CD2 3.3Å; D477-F479 WeakPolarHBondContact O-CE2 3.41Å; D477-F479 PolarHBondContact O-N 2.85Å; F479-F481 HydrophobicContact CB-CD2 4.38Å; F479-F481 HydrophobicContact CB-CE2 3.79Å; F479-F481 HydrophobicContact CB-CZ 4.37Å; F479-F481 HydrophobicContact CD1-CE2 4.26Å; F479-F481 HydrophobicContact CD1-CZ 4.15Å; F479-F481 HydrophobicContact CG-CE2 4.31Å; F479-V524 HydrophobicContact CB-CG1 3.94Å; F479-V524 HydrophobicContact CD1-CG1 3.96Å; F479-V524 HydrophobicContact CD2-CG1 3.51Å; F479-V524 HydrophobicContact CE1-CG1 4.36Å; F479-V524 HydrophobicContact CE2-CG1 3.96Å; F479-V524 HydrophobicContact CG-CG1 3.52Å; F479-V524 HydrophobicContact CZ-CG1 4.36Å; F479-D525 HydrophobicContact CB-CB 3.92Å; F479-D525 WeakPolarHBondContact O-CB 3.29Å | ||
| 480 | D | 97.5 | Very high | 97.1 | Very high | 86 Ų | 86 | 57 Ų | 57 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | trans | -142.7 | 107.4 | 173.5 | -174.6 | -6.7 | 0 | 0 | 0 | 110.5 | R482 | D480-R482 VanDerWaalsContact OD1-CB 3.26Å; D480-R482 WeakPolarHBondContact OD1-CB 3.44Å; D480-R482 VanDerWaalsContact OD1-CG 3.25Å; D480-R482 WeakPolarHBondContact OD1-CG 3.5Å; D480-R482 IonicContact OD1-CZ 2.83Å; D480-R482 PolarHBondContact OD1-N 3.49Å; D480-R482 IonicContact OD1-NE 2.71Å; D480-R482 PolarHBondContact OD1-NE 3.01Å; D480-R482 IonicContact OD1-NH2 3.74Å; D480-R482 IonicContact OD2-CZ 2.65Å; D480-R482 IonicContact OD2-NE 3.72Å; D480-R482 PolarHBondContact OD2-NE 2.9Å; D480-R482 VanDerWaalsContact OD2-NE 3.17Å; D480-R482 IonicContact OD2-NH2 3.2Å; D480-R482 PolarHBondContact OD2-NH2 3.42Å | ||
| 481 | F | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | trans | -109.8 | 16 | 177.8 | -60.1 | -68.9 | 0 | 0 | 0 | 112.5 | T464 L468 F479 G483 M484 R485 T521 V524 D525 | T464-F481 HydrophobicContact CG2-CD1 4.18Å; T464-F481 HydrophobicContact CG2-CE1 3.93Å; L468-F481 HydrophobicContact CD1-CE1 4.07Å; L468-F481 HydrophobicContact CD1-CZ 3.72Å; L468-F481 HydrophobicContact CD2-CE1 4.09Å; L468-F481 HydrophobicContact CD2-CZ 3.73Å; L468-F481 HydrophobicContact CG-CZ 4.37Å; F479-F481 HydrophobicContact CB-CD2 4.38Å; F479-F481 HydrophobicContact CB-CE2 3.79Å; F479-F481 HydrophobicContact CB-CZ 4.37Å; F479-F481 HydrophobicContact CD1-CE2 4.26Å; F479-F481 HydrophobicContact CD1-CZ 4.15Å; F479-F481 HydrophobicContact CG-CE2 4.31Å; F481-G483 VanDerWaalsContact C-N 3.26Å; F481-G483 PolarHBondContact O-N 2.85Å; F481-M484 HydrophobicContact CB-CB 4.43Å; F481-M484 HydrophobicContact CD1-SD 4.27Å; F481-M484 PolarHBondContact O-N 3.35Å; F481-R485 WeakPolarHBondContact O-CG 3.5Å; F481-R485 PolarHBondContact O-N 3.4Å; F481-T521 HydrophobicContact CB-CG2 4.36Å; F481-T521 HydrophobicContact CG-CG2 4.27Å; F481-V524 HydrophobicContact CE2-CB 3.9Å; F481-V524 HydrophobicContact CE2-CG1 3.84Å; F481-D525 HydrophobicContact CD2-CB 3.98Å; F481-D525 PolarHBondContact N-OD2 3.28Å | ||
| 482 | R | 97.4 | Very high | 97.2 | Very high | 158 Ų | 158 | 50.2 Ų | 50.2 | 60% | 0.596 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.1 | -39.8 | 177.7 | -65.6 | 176.2 | -65.3 | 175.4 | -0.5 | 111.6 | D480 L486 | D480-R482 VanDerWaalsContact OD1-CB 3.26Å; D480-R482 WeakPolarHBondContact OD1-CB 3.44Å; D480-R482 VanDerWaalsContact OD1-CG 3.25Å; D480-R482 WeakPolarHBondContact OD1-CG 3.5Å; D480-R482 IonicContact OD1-CZ 2.83Å; D480-R482 PolarHBondContact OD1-N 3.49Å; D480-R482 IonicContact OD1-NE 2.71Å; D480-R482 PolarHBondContact OD1-NE 3.01Å; D480-R482 IonicContact OD1-NH2 3.74Å; D480-R482 IonicContact OD2-CZ 2.65Å; D480-R482 IonicContact OD2-NE 3.72Å; D480-R482 PolarHBondContact OD2-NE 2.9Å; D480-R482 VanDerWaalsContact OD2-NE 3.17Å; D480-R482 IonicContact OD2-NH2 3.2Å; D480-R482 PolarHBondContact OD2-NH2 3.42Å; R482-L486 WeakPolarHBondContact O-CB 3.41Å; R482-L486 PolarHBondContact O-N 3.07Å |
| 483 | G | 97.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 48 Ų | 48 | 42% | 0.423 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -53.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | F481 R485 L486 D487 | F481-G483 VanDerWaalsContact C-N 3.26Å; F481-G483 PolarHBondContact O-N 2.85Å; G483-R485 PolarHBondContact O-N 3Å; G483-L486 PolarHBondContact O-N 3.41Å; G483-D487 WeakPolarHBondContact O-CB 3.39Å; G483-D487 VanDerWaalsContact O-CG 3.31Å; G483-D487 PolarHBondContact O-N 3.38Å |
| 484 | M | 98.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 179 | -179.7 | 173.8 | 178.5 | 0 | 0 | 112.7 | F461 T464 M465 F481 D487 W488 I517 T521 | F461-M484 HydrophobicContact CB-CE 4.09Å; F461-M484 HydrophobicContact CD1-CE 4.14Å; F461-M484 HydrophobicContact CD1-CG 3.71Å; F461-M484 HydrophobicContact CE1-CG 3.9Å; F461-M484 HydrophobicContact CG-CE 4.23Å; T464-M484 HydrophobicContact CG2-SD 4.29Å; M465-M484 HydrophobicContact CG-CE 4.06Å; M465-M484 HydrophobicContact SD-CE 4.15Å; F481-M484 HydrophobicContact CB-CB 4.43Å; F481-M484 HydrophobicContact CD1-SD 4.27Å; F481-M484 PolarHBondContact O-N 3.35Å; M484-D487 PolarHBondContact O-N 3.31Å; M484-W488 PolarHBondContact O-N 3.49Å; M484-I517 HydrophobicContact CE-CG2 3.68Å; M484-T521 HydrophobicContact CE-CG2 4.16Å; M484-T521 HydrophobicContact SD-CG2 3.88Å |
| 485 | R | 98.6 | Very high | 97.2 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.4 | -71.2 | -168.4 | -74.7 | -87.3 | -0.5 | 112.3 | F481 G483 D487 W488 F489 I518 T521 D525 S526 | F481-R485 WeakPolarHBondContact O-CG 3.5Å; F481-R485 PolarHBondContact O-N 3.4Å; G483-R485 PolarHBondContact O-N 3Å; R485-D487 VanDerWaalsContact C-N 3.33Å; R485-W488 PolarHBondContact O-N 2.69Å; R485-F489 PolarHBondContact O-N 2.89Å; R485-F489 VanDerWaalsContact O-N 3.11Å; R485-I518 HydrophobicContact CG-CD1 4.18Å; R485-I518 HydrophobicContact CG-CG2 3.96Å; R485-T521 PolarHBondContact NH1-OG1 2.94Å; R485-D525 IonicContact CZ-OD1 3.87Å; R485-D525 IonicContact CZ-OD2 2.69Å; R485-D525 IonicContact NH1-OD1 3.94Å; R485-D525 PolarHBondContact NH1-OD1 3.15Å; R485-D525 IonicContact NH1-OD2 3.36Å; R485-D525 PolarHBondContact NH1-OD2 3.1Å; R485-D525 IonicContact NH2-OD1 2.93Å; R485-D525 PolarHBondContact NH2-OD1 2.9Å; R485-D525 IonicContact NH2-OD2 3.3Å; R485-D525 PolarHBondContact NH2-OD2 3.2Å; R485-S526 PolarHBondContact NH2-OG 3.18Å; R485-S526 VanDerWaalsContact NH2-OG 3.09Å |
| 486 | L | 98.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.2 | -35.2 | 177.3 | -176 | 59.8 | 0 | 0 | 0 | 111.7 | R482 G483 F489 R490 | R482-L486 WeakPolarHBondContact O-CB 3.41Å; R482-L486 PolarHBondContact O-N 3.07Å; G483-L486 PolarHBondContact O-N 3.41Å; L486-F489 HydrophobicContact CD1-CD1 4.46Å; L486-F489 CarbonylContact O-C 3.5Å; L486-F489 WeakPolarHBondContact O-CB 3.42Å; L486-F489 PolarHBondContact O-N 3.49Å; L486-R490 WeakPolarHBondContact O-CG 3.32Å; L486-R490 PolarHBondContact O-N 3.36Å |
| 487 | D | 98.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 38 Ų | 38 | 19% | 0.193 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.7 | -35.5 | 175 | -73.9 | -19 | 0 | 0 | 0 | 112.1 | I457 F461 G483 M484 R485 F489 R490 L491 | I457-D487 HydrophobicContact CG2-CB 3.98Å; F461-D487 HydrophobicContact CE1-CB 3.82Å; F461-D487 HydrophobicContact CZ-CB 4.09Å; G483-D487 WeakPolarHBondContact O-CB 3.39Å; G483-D487 VanDerWaalsContact O-CG 3.31Å; G483-D487 PolarHBondContact O-N 3.38Å; M484-D487 PolarHBondContact O-N 3.31Å; R485-D487 VanDerWaalsContact C-N 3.33Å; D487-F489 VanDerWaalsContact C-N 3.3Å; D487-F489 PolarHBondContact O-N 3.2Å; D487-R490 WeakPolarHBondContact O-CB 3.48Å; D487-R490 PolarHBondContact O-N 2.73Å; D487-R490 IonicContact OD1-CZ 3.32Å; D487-R490 IonicContact OD1-NH1 2.66Å; D487-R490 PolarHBondContact OD1-NH1 2.75Å; D487-L491 WeakPolarHBondContact O-CB 3.43Å; D487-L491 PolarHBondContact O-N 3.19Å |
| 488 | W | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 169.5 | 173.9 | -128.3 | 0 | 0 | 0 | 111.2 | F461 M484 R485 L491 Q492 I504 M514 N515 I518 | F461-W488 HydrophobicContact CZ-CB 4.08Å; M484-W488 PolarHBondContact O-N 3.49Å; R485-W488 PolarHBondContact O-N 2.69Å; W488-L491 HydrophobicContact CE3-CB 4.12Å; W488-L491 HydrophobicContact CE3-CD2 3.98Å; W488-L491 HydrophobicContact CE3-CG 4.34Å; W488-L491 HydrophobicContact CZ3-CB 4.37Å; W488-L491 HydrophobicContact CZ3-CD2 3.9Å; W488-L491 HydrophobicContact CZ3-CG 4.17Å; W488-L491 PolarHBondContact O-N 3.46Å; W488-Q492 HydrophobicContact CD2-CG 4.12Å; W488-Q492 HydrophobicContact CE3-CG 4.35Å; W488-Q492 HydrophobicContact CH2-CG 3.86Å; W488-Q492 HydrophobicContact CZ2-CG 3.62Å; W488-Q492 HydrophobicContact CZ3-CG 4.23Å; W488-Q492 WeakPolarHBondContact O-CG 3.27Å; W488-Q492 PolarHBondContact O-N 3.03Å; W488-I504 HydrophobicContact CH2-CD1 4.34Å; W488-M514 HydrophobicContact CD2-CB 3.7Å; W488-M514 HydrophobicContact CD2-CE 4.32Å; W488-M514 HydrophobicContact CD2-CG 4.21Å; W488-M514 VanDerWaalsContact CE2-CB 3.47Å; W488-M514 HydrophobicContact CE3-CB 3.88Å; W488-M514 HydrophobicContact CE3-CE 4.36Å; W488-M514 HydrophobicContact CE3-CG 3.89Å; W488-M514 HydrophobicContact CG-CB 4.46Å; W488-M514 HydrophobicContact CG-CE 4.38Å; W488-M514 HydrophobicContact CH2-CB 3.8Å; W488-M514 HydrophobicContact CH2-CG 4.11Å; W488-M514 HydrophobicContact CZ2-CB 3.55Å; W488-M514 HydrophobicContact CZ2-CG 4.36Å; W488-M514 HydrophobicContact CZ3-CB 3.94Å; W488-M514 HydrophobicContact CZ3-CG 3.85Å; W488-N515 PolarHBondContact NE1-OD1 3.45Å; W488-I518 HydrophobicContact CB-CD1 4.06Å; W488-I518 HydrophobicContact CB-CG1 4.17Å; W488-I518 VanDerWaalsContact CD1-CG1 3.42Å; W488-I518 HydrophobicContact CG-CD1 4.33Å; W488-I518 HydrophobicContact CG-CG1 3.94Å |
| 489 | F | 98.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 175.6 | -167.9 | -176.5 | 0 | 0 | 0 | 111.9 | A14 L17 T18 D126 L127 N130 R485 L486 D487 Q492 A493 | A14-F489 HydrophobicContact CB-CB 4.18Å; A14-F489 HydrophobicContact CB-CD1 4.05Å; A14-F489 HydrophobicContact CB-CD2 3.75Å; A14-F489 HydrophobicContact CB-CE1 4.36Å; A14-F489 HydrophobicContact CB-CE2 4.01Å; A14-F489 HydrophobicContact CB-CG 3.72Å; A14-F489 HydrophobicContact CB-CZ 4.33Å; L17-F489 HydrophobicContact CB-CZ 3.99Å; L17-F489 HydrophobicContact CD1-CE2 4.27Å; L17-F489 HydrophobicContact CD1-CZ 3.98Å; T18-F489 WeakPolarHBondContact OG1-CE1 3.37Å; D126-F489 HydrophobicContact CB-CB 4.26Å; D126-F489 HydrophobicContact CB-CD1 4.18Å; D126-F489 HydrophobicContact CB-CD2 3.93Å; D126-F489 HydrophobicContact CB-CE2 4.4Å; D126-F489 HydrophobicContact CB-CG 3.86Å; L127-F489 VanDerWaalsContact CA-CE2 3.45Å; L127-F489 HydrophobicContact CB-CD2 4.3Å; L127-F489 HydrophobicContact CB-CE2 3.9Å; L127-F489 HydrophobicContact CD1-CE2 3.87Å; N130-F489 HydrophobicContact CB-CE1 4.21Å; N130-F489 HydrophobicContact CB-CZ 3.74Å; N130-F489 WeakPolarHBondContact ND2-CE1 3.16Å; R485-F489 PolarHBondContact O-N 2.89Å; R485-F489 VanDerWaalsContact O-N 3.11Å; L486-F489 HydrophobicContact CD1-CD1 4.46Å; L486-F489 CarbonylContact O-C 3.5Å; L486-F489 WeakPolarHBondContact O-CB 3.42Å; L486-F489 PolarHBondContact O-N 3.49Å; D487-F489 VanDerWaalsContact C-N 3.3Å; D487-F489 PolarHBondContact O-N 3.2Å; F489-Q492 WeakPolarHBondContact O-CB 3.3Å; F489-Q492 PolarHBondContact O-N 2.91Å; F489-A493 PolarHBondContact O-N 3.26Å |
| 490 | R | 98 | Very high | 96.6 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 21% | 0.211 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 171.5 | -72.7 | 175.3 | 178.2 | 121.5 | 4.4 | 111.6 | A14 E15 L486 D487 Q492 A493 Y494 | A14-R490 HydrophobicContact CB-CG 4.08Å; E15-R490 IonicContact OE1-CZ 3.41Å; E15-R490 IonicContact OE1-NE 3.88Å; E15-R490 PolarHBondContact OE1-NE 3.05Å; E15-R490 IonicContact OE1-NH2 2.85Å; E15-R490 PolarHBondContact OE1-NH2 3.15Å; E15-R490 VanDerWaalsContact OE1-NH2 3.11Å; L486-R490 WeakPolarHBondContact O-CG 3.32Å; L486-R490 PolarHBondContact O-N 3.36Å; D487-R490 WeakPolarHBondContact O-CB 3.48Å; D487-R490 PolarHBondContact O-N 2.73Å; D487-R490 IonicContact OD1-CZ 3.32Å; D487-R490 IonicContact OD1-NH1 2.66Å; D487-R490 PolarHBondContact OD1-NH1 2.75Å; R490-Q492 VanDerWaalsContact C-N 3.34Å; R490-Q492 PolarHBondContact O-N 3.2Å; R490-A493 WeakPolarHBondContact O-CA 3.26Å; R490-A493 WeakPolarHBondContact O-CB 3.49Å; R490-A493 PolarHBondContact O-N 3.39Å; R490-Y494 HydrophobicContact CB-CE2 4.02Å; R490-Y494 WeakPolarHBondContact O-CD1 3.34Å; R490-Y494 WeakPolarHBondContact O-CD2 3.23Å; R490-Y494 VanDerWaalsContact O-CG 3.23Å; R490-Y494 PolarHBondContact O-N 2.98Å |
| 491 | L | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 178.7 | -173.6 | 60.7 | 0 | 0 | 0 | 111.7 | E454 I457 M458 F461 D487 W488 A493 Y494 T495 | E454-L491 HydrophobicContact CB-CD1 3.7Å; E454-L491 HydrophobicContact CG-CD1 3.47Å; E454-L491 VanDerWaalsContact CG-CD1 3.47Å; I457-L491 HydrophobicContact CG2-CB 4.34Å; I457-L491 HydrophobicContact CG2-CD2 4.29Å; M458-L491 HydrophobicContact CG-CD2 3.69Å; M458-L491 HydrophobicContact SD-CD2 4.39Å; F461-L491 HydrophobicContact CE2-CD2 4.15Å; D487-L491 WeakPolarHBondContact O-CB 3.43Å; D487-L491 PolarHBondContact O-N 3.19Å; W488-L491 HydrophobicContact CE3-CB 4.12Å; W488-L491 HydrophobicContact CE3-CD2 3.98Å; W488-L491 HydrophobicContact CE3-CG 4.34Å; W488-L491 HydrophobicContact CZ3-CB 4.37Å; W488-L491 HydrophobicContact CZ3-CD2 3.9Å; W488-L491 HydrophobicContact CZ3-CG 4.17Å; W488-L491 PolarHBondContact O-N 3.46Å; L491-A493 VanDerWaalsContact C-N 3.31Å; L491-A493 PolarHBondContact O-N 2.79Å; L491-Y494 PolarHBondContact O-N 3.33Å; L491-T495 HydrophobicContact CD1-CG2 3.84Å; L491-T495 HydrophobicContact CG-CG2 4.33Å; L491-T495 WeakPolarHBondContact O-CB 3.33Å; L491-T495 WeakPolarHBondContact O-CG2 3.43Å; L491-T495 PolarHBondContact O-N 2.95Å; L491-T495 PolarHBondContact O-OG1 3.47Å |
| 492 | Q | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.5 | -46.4 | 170.5 | -72.9 | 172.6 | 48.4 | 0 | 0 | 110.7 | N124 D126 L127 W488 F489 R490 S496 | N124-Q492 VanDerWaalsContact CA-OE1 3.31Å; N124-Q492 HydrophobicContact CB-CB 4.12Å; N124-Q492 HydrophobicContact CB-CG 3.9Å; N124-Q492 PolarHBondContact O-OE1 3.29Å; D126-Q492 PolarHBondContact OD2-NE2 2.84Å; L127-Q492 HydrophobicContact CB-CB 4.16Å; L127-Q492 HydrophobicContact CD2-CB 4.43Å; W488-Q492 HydrophobicContact CD2-CG 4.12Å; W488-Q492 HydrophobicContact CE3-CG 4.35Å; W488-Q492 HydrophobicContact CH2-CG 3.86Å; W488-Q492 HydrophobicContact CZ2-CG 3.62Å; W488-Q492 HydrophobicContact CZ3-CG 4.23Å; W488-Q492 WeakPolarHBondContact O-CG 3.27Å; W488-Q492 PolarHBondContact O-N 3.03Å; F489-Q492 WeakPolarHBondContact O-CB 3.3Å; F489-Q492 PolarHBondContact O-N 2.91Å; R490-Q492 VanDerWaalsContact C-N 3.34Å; R490-Q492 PolarHBondContact O-N 3.2Å; Q492-S496 WeakPolarHBondContact O-CB 3.47Å; Q492-S496 PolarHBondContact O-N 3.46Å; Q492-S496 PolarHBondContact O-OG 3.12Å |
| 493 | A | 97.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L13 F489 R490 L491 T495 V497 | L13-A493 HydrophobicContact CB-CB 3.97Å; L13-A493 HydrophobicContact CD1-CB 4.48Å; F489-A493 PolarHBondContact O-N 3.26Å; R490-A493 WeakPolarHBondContact O-CA 3.26Å; R490-A493 WeakPolarHBondContact O-CB 3.49Å; R490-A493 PolarHBondContact O-N 3.39Å; L491-A493 VanDerWaalsContact C-N 3.31Å; L491-A493 PolarHBondContact O-N 2.79Å; A493-T495 VanDerWaalsContact C-N 3.33Å; A493-T495 PolarHBondContact O-N 3.35Å; A493-V497 WeakPolarHBondContact O-CG1 3.44Å |
| 494 | Y | 95.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 30.4 Ų | 30.4 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.6 | -37.8 | -178.4 | -57.6 | -22.1 | 0 | 0 | 0 | 112.9 | S9 I457 R490 L491 V497 A500 | S9-Y494 VanDerWaalsContact O-CE1 3.24Å; S9-Y494 WeakPolarHBondContact O-CE1 3.45Å; I457-Y494 HydrophobicContact CD1-CD2 4.41Å; I457-Y494 HydrophobicContact CD1-CE2 3.93Å; R490-Y494 HydrophobicContact CB-CE2 4.02Å; R490-Y494 WeakPolarHBondContact O-CD1 3.34Å; R490-Y494 WeakPolarHBondContact O-CD2 3.23Å; R490-Y494 VanDerWaalsContact O-CG 3.23Å; R490-Y494 PolarHBondContact O-N 2.98Å; L491-Y494 PolarHBondContact O-N 3.33Å; Y494-V497 WeakPolarHBondContact O-CG2 3.39Å; Y494-A500 WeakPolarHBondContact O-CB 3.35Å |
| 495 | T | 96 | Very high | 95.6 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -93.8 | -7.2 | -173.7 | 59.1 | 0 | 0 | 0 | 0 | 114 | E454 L491 A493 L502 I504 | E454-T495 HydrophobicContact CG-CG2 4.29Å; L491-T495 HydrophobicContact CD1-CG2 3.84Å; L491-T495 HydrophobicContact CG-CG2 4.33Å; L491-T495 WeakPolarHBondContact O-CB 3.33Å; L491-T495 WeakPolarHBondContact O-CG2 3.43Å; L491-T495 PolarHBondContact O-N 2.95Å; L491-T495 PolarHBondContact O-OG1 3.47Å; A493-T495 VanDerWaalsContact C-N 3.33Å; A493-T495 PolarHBondContact O-N 3.35Å; T495-L502 VanDerWaalsContact CA-O 3.25Å; T495-L502 WeakPolarHBondContact CA-O 3.46Å; T495-L502 WeakPolarHBondContact CB-O 3.48Å; T495-L502 HydrophobicContact CG2-CB 4.21Å; T495-L502 HydrophobicContact CG2-CD2 3.98Å; T495-L502 HydrophobicContact CG2-CG 4.06Å; T495-L502 WeakPolarHBondContact CG2-O 3.48Å; T495-I504 PolarHBondContact O-N 2.97Å |
| 496 | S | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -99.9 | -13.9 | 179.6 | -56.2 | 0 | 0 | 0 | 0 | 113.8 | V117 F118 N124 Q492 I504 | V117-S496 CarbonylContact C-O 3.39Å; V117-S496 WeakPolarHBondContact CA-O 3.11Å; F118-S496 PolarHBondContact N-O 3.31Å; N124-S496 PolarHBondContact ND2-OG 2.87Å; Q492-S496 WeakPolarHBondContact O-CB 3.47Å; Q492-S496 PolarHBondContact O-N 3.46Å; Q492-S496 PolarHBondContact O-OG 3.12Å; S496-I504 WeakPolarHBondContact OG-CG2 3.37Å |
| 497 | V | 95.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -70.9 | 149 | 174.8 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | P8 L13 C115 V117 A493 Y494 K499 A500 | P8-V497 HydrophobicContact CB-CB 4.09Å; P8-V497 HydrophobicContact CB-CG1 4.27Å; P8-V497 HydrophobicContact CB-CG2 3.68Å; L13-V497 HydrophobicContact CD1-CG1 4.31Å; C115-V497 HydrophobicContact CB-CB 4.3Å; C115-V497 HydrophobicContact CB-CG1 3.82Å; V117-V497 HydrophobicContact CG2-CG1 4.23Å; A493-V497 WeakPolarHBondContact O-CG1 3.44Å; Y494-V497 WeakPolarHBondContact O-CG2 3.39Å; V497-K499 PolarHBondContact O-N 2.89Å; V497-A500 HydrophobicContact CG2-CB 4.1Å; V497-A500 WeakPolarHBondContact O-CB 3.44Å; V497-A500 PolarHBondContact O-N 3.14Å |
| 498 | S | 92.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 141 | 176.9 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | C115 A500 | C115-S498 WeakPolarHBondContact O-CB 3.33Å; C115-S498 PolarHBondContact O-N 2.97Å; C115-S498 PolarHBondContact O-OG 3.39Å; S498-A500 PolarHBondContact O-N 3.02Å |
| 499 | K | 90.2 | Very high | 95.1 | Very high | 210 Ų | 210 | 45.1 Ų | 45.1 | 91% | 0.913 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 23.2 | -178.1 | -50.2 | 175.2 | -178.4 | 174.5 | 0 | 114.2 | V497 | V497-K499 PolarHBondContact O-N 2.89Š|
| 500 | A | 91 | Very high | 94.9 | Very high | 26 Ų | 26 | 45 Ų | 45 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | trans | -56.5 | 142.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y494 V497 S498 L502 | Y494-A500 WeakPolarHBondContact O-CB 3.35Å; V497-A500 HydrophobicContact CG2-CB 4.1Å; V497-A500 WeakPolarHBondContact O-CB 3.44Å; V497-A500 PolarHBondContact O-N 3.14Å; S498-A500 PolarHBondContact O-N 3.02Å; A500-L502 VanDerWaalsContact C-N 3.26Å; A500-L502 PolarHBondContact O-N 3.36Å | ||
| 501 | S | 89.9 | Confident | 94.9 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 51% | 0.51 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -67.7 | -30.9 | 179 | -172 | 0 | 0 | 0 | 0 | 112.2 | V449 | V449-S501 WeakPolarHBondContact CG1-OG 3.36Š|
| 502 | L | 93 | Very high | 94.9 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -115.6 | 105.4 | 169.2 | 176.7 | 66 | 0 | 0 | 0 | 107.5 | L447 M458 T495 A500 | L447-L502 HydrophobicContact CD1-CD1 4.27Å; L447-L502 HydrophobicContact CD1-CD2 4.19Å; L447-L502 HydrophobicContact CD2-CD1 4.12Å; M458-L502 HydrophobicContact SD-CD2 4.47Å; T495-L502 VanDerWaalsContact CA-O 3.25Å; T495-L502 WeakPolarHBondContact CA-O 3.46Å; T495-L502 WeakPolarHBondContact CB-O 3.48Å; T495-L502 HydrophobicContact CG2-CB 4.21Å; T495-L502 HydrophobicContact CG2-CD2 3.98Å; T495-L502 HydrophobicContact CG2-CG 4.06Å; T495-L502 WeakPolarHBondContact CG2-O 3.48Å; A500-L502 VanDerWaalsContact C-N 3.26Å; A500-L502 PolarHBondContact O-N 3.36Å |
| 503 | G | 94.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 19% | 0.186 | 24% | 0.242 | C | C | . | . | trans | -91.3 | 115.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A505 D506 H507 | G503-A505 PolarHBondContact O-N 2.9Å; G503-A505 VanDerWaalsContact O-N 3.16Å; G503-D506 PolarHBondContact O-N 2.75Å; G503-D506 VanDerWaalsContact O-N 3.08Å; G503-H507 PolarHBondContact O-CD2 3.17Å; G503-H507 VanDerWaalsContact O-CD2 3.27Å; G503-H507 PolarHBondContact O-N 3.26Å | ||
| 504 | I | 95.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.6 | -178.9 | -161.4 | 64.6 | 0 | 0 | 0 | 113.1 | F118 V123 W488 T495 S496 D506 H507 K508 L510 | F118-I504 HydrophobicContact CD1-CG2 3.74Å; F118-I504 HydrophobicContact CE1-CG2 4.17Å; V123-I504 HydrophobicContact CG1-CG1 3.74Å; W488-I504 HydrophobicContact CH2-CD1 4.34Å; T495-I504 PolarHBondContact O-N 2.97Å; S496-I504 WeakPolarHBondContact OG-CG2 3.37Å; I504-D506 PolarHBondContact O-N 3.33Å; I504-H507 CarbonylContact O-C 3.45Å; I504-H507 PolarHBondContact O-N 3.07Å; I504-H507 VanDerWaalsContact O-N 3.09Å; I504-K508 PolarHBondContact O-N 2.92Å; I504-L510 HydrophobicContact CD1-CB 4.42Å; I504-L510 HydrophobicContact CD1-CD2 4.29Å; I504-L510 HydrophobicContact CD1-CG 4.46Å |
| 505 | A | 95.3 | Very high | 95 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 34% | 0.339 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F118 G503 K508 | F118-A505 HydrophobicContact CD1-CB 4.13Å; F118-A505 HydrophobicContact CD2-CB 4.03Å; F118-A505 HydrophobicContact CE1-CB 4.16Å; F118-A505 HydrophobicContact CE2-CB 4.06Å; F118-A505 HydrophobicContact CG-CB 4.06Å; F118-A505 HydrophobicContact CZ-CB 4.13Å; G503-A505 PolarHBondContact O-N 2.9Å; G503-A505 VanDerWaalsContact O-N 3.16Å; A505-K508 WeakPolarHBondContact O-CG 3.2Å |
| 506 | D | 94.6 | Very high | 95.1 | Very high | 143 Ų | 143 | 44.3 Ų | 44.3 | 77% | 0.765 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -14 | 176.2 | -60.2 | -42.6 | 0 | 0 | 0 | 112 | G503 I504 | G503-D506 PolarHBondContact O-N 2.75Å; G503-D506 VanDerWaalsContact O-N 3.08Å; I504-D506 PolarHBondContact O-N 3.33Å |
| 507 | H | 95 | Very high | 95.2 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | trans | -123.3 | 47.1 | -176.9 | -62.7 | -78.4 | 0 | 0 | 0 | 112.4 | G503 I504 E509 L510 | G503-H507 PolarHBondContact O-CD2 3.17Å; G503-H507 VanDerWaalsContact O-CD2 3.27Å; G503-H507 PolarHBondContact O-N 3.26Å; I504-H507 CarbonylContact O-C 3.45Å; I504-H507 PolarHBondContact O-N 3.07Å; I504-H507 VanDerWaalsContact O-N 3.09Å; H507-E509 VanDerWaalsContact C-N 3.26Å; H507-E509 PolarHBondContact O-N 3.34Å; H507-L510 HydrophobicContact CB-CB 4.36Å; H507-L510 VanDerWaalsContact O-CB 3.31Å; H507-L510 WeakPolarHBondContact O-CB 3.41Å; H507-L510 PolarHBondContact O-N 2.84Å | ||
| 508 | K | 96.3 | Very high | 95.4 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 36% | 0.357 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58 | -34.7 | -174.8 | -63.4 | -165.4 | 173 | -153.1 | 0 | 114.5 | D120 V123 I504 A505 L510 G511 K512 | D120-K508 IonicContact OD2-NZ 2.9Å; D120-K508 PolarHBondContact OD2-NZ 3.09Å; V123-K508 HydrophobicContact CG1-CB 4.42Å; V123-K508 HydrophobicContact CG2-CB 3.93Å; V123-K508 HydrophobicContact CG2-CD 3.96Å; V123-K508 HydrophobicContact CG2-CG 3.94Å; I504-K508 PolarHBondContact O-N 2.92Å; A505-K508 WeakPolarHBondContact O-CG 3.2Å; K508-L510 VanDerWaalsContact C-N 3.25Å; K508-L510 PolarHBondContact O-N 3.21Å; K508-G511 PolarHBondContact O-N 3.47Å; K508-G511 VanDerWaalsContact O-N 3.13Å; K508-K512 PolarHBondContact O-N 3.31Å; K508-K512 VanDerWaalsContact O-N 3.09Å |
| 509 | E | 96.1 | Very high | 95.6 | Very high | 105 Ų | 105 | 42.2 Ų | 42.2 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -30.3 | 179.3 | -61.6 | -52.4 | 124.2 | 0 | 0 | 112.3 | M443 H507 K512 M513 | M443-E509 HydrophobicContact CE-CB 4.33Å; H507-E509 VanDerWaalsContact C-N 3.26Å; H507-E509 PolarHBondContact O-N 3.34Å; E509-K512 IonicContact OE1-NZ 3.45Å; E509-K512 PolarHBondContact OE1-NZ 2.69Å; E509-K512 IonicContact OE2-NZ 2.68Å; E509-M513 VanDerWaalsContact O-CB 3.28Å; E509-M513 WeakPolarHBondContact O-CB 3.43Å; E509-M513 PolarHBondContact O-N 2.96Å |
| 510 | L | 95.5 | Very high | 96 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 171.8 | 176.4 | 62.3 | 0 | 0 | 0 | 110.9 | L440 M443 M458 I504 H507 K508 M513 M514 | L440-L510 HydrophobicContact CD1-CD1 3.99Å; M443-L510 WeakPolarHBondContact SD-CA 3.5Å; M443-L510 HydrophobicContact SD-CB 3.69Å; M443-L510 HydrophobicContact SD-CD1 3.88Å; M443-L510 HydrophobicContact SD-CG 4.4Å; M458-L510 HydrophobicContact CE-CD1 3.76Å; M458-L510 HydrophobicContact CE-CD2 3.8Å; M458-L510 HydrophobicContact CE-CG 4.43Å; I504-L510 HydrophobicContact CD1-CB 4.42Å; I504-L510 HydrophobicContact CD1-CD2 4.29Å; I504-L510 HydrophobicContact CD1-CG 4.46Å; H507-L510 HydrophobicContact CB-CB 4.36Å; H507-L510 VanDerWaalsContact O-CB 3.31Å; H507-L510 WeakPolarHBondContact O-CB 3.41Å; H507-L510 PolarHBondContact O-N 2.84Å; K508-L510 VanDerWaalsContact C-N 3.25Å; K508-L510 PolarHBondContact O-N 3.21Å; L510-M513 HydrophobicContact CD1-CE 4.05Å; L510-M513 PolarHBondContact O-N 3.42Å; L510-M514 HydrophobicContact CD1-CG 4.07Å; L510-M514 WeakPolarHBondContact O-CB 3.18Å; L510-M514 WeakPolarHBondContact O-CG 3.22Å; L510-M514 PolarHBondContact O-N 3.2Å |
| 511 | G | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K508 M514 N515 | K508-G511 PolarHBondContact O-N 3.47Å; K508-G511 VanDerWaalsContact O-N 3.13Å; G511-M514 PolarHBondContact O-N 2.77Å; G511-N515 WeakPolarHBondContact O-CB 3.5Å; G511-N515 PolarHBondContact O-N 3.12Å; G511-N515 PolarHBondContact O-ND2 2.99Å; G511-N515 VanDerWaalsContact O-ND2 3.08Å |
| 512 | K | 97.2 | Very high | 96.8 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 17% | 0.174 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 177 | -69.3 | 173.8 | 179.2 | 176.7 | 0 | 112.8 | T122 D244 K508 E509 N515 T516 | T122-K512 WeakPolarHBondContact O-CG 3.31Å; D244-K512 HydrophobicContact CB-CB 4.24Å; D244-K512 HydrophobicContact CB-CD 3.94Å; D244-K512 HydrophobicContact CB-CG 4.36Å; D244-K512 WeakPolarHBondContact O-CB 3.29Å; K508-K512 PolarHBondContact O-N 3.31Å; K508-K512 VanDerWaalsContact O-N 3.09Å; E509-K512 IonicContact OE1-NZ 3.45Å; E509-K512 PolarHBondContact OE1-NZ 2.69Å; E509-K512 IonicContact OE2-NZ 2.68Å; K512-N515 PolarHBondContact O-N 3.39Å; K512-T516 PolarHBondContact O-N 3.36Å; K512-T516 VanDerWaalsContact O-N 3.13Å; K512-T516 PolarHBondContact O-OG1 3.12Å |
| 513 | M | 97.4 | Very high | 97.1 | Very high | 29 Ų | 29 | 28.9 Ų | 28.9 | 14% | 0.143 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 176.8 | -178.4 | 177.3 | 63.5 | 0 | 0 | 110.8 | V439 L440 M443 E509 L510 N515 T516 I517 | V439-M513 HydrophobicContact CB-SD 4.16Å; V439-M513 HydrophobicContact CG2-SD 3.75Å; L440-M513 HydrophobicContact CB-CE 4.15Å; L440-M513 HydrophobicContact CD1-CE 3.49Å; L440-M513 VanDerWaalsContact CD1-CE 3.49Å; L440-M513 HydrophobicContact CG-CE 4.42Å; M443-M513 HydrophobicContact CB-CE 3.9Å; M443-M513 HydrophobicContact CE-CE 3.57Å; M443-M513 HydrophobicContact CE-SD 3.83Å; M443-M513 HydrophobicContact CG-CE 4.26Å; M443-M513 HydrophobicContact SD-CE 3.42Å; M443-M513 WeakPolarHBondContact SD-CE 3.45Å; M443-M513 HydrophobicContact SD-SD 4.48Å; E509-M513 VanDerWaalsContact O-CB 3.28Å; E509-M513 WeakPolarHBondContact O-CB 3.43Å; E509-M513 PolarHBondContact O-N 2.96Å; L510-M513 HydrophobicContact CD1-CE 4.05Å; L510-M513 PolarHBondContact O-N 3.42Å; M513-N515 VanDerWaalsContact C-N 3.33Å; M513-N515 PolarHBondContact O-N 3.15Å; M513-T516 WeakPolarHBondContact O-CA 3.35Å; M513-T516 WeakPolarHBondContact O-CB 3.46Å; M513-T516 PolarHBondContact O-N 3.27Å; M513-T516 VanDerWaalsContact O-N 3.07Å; M513-I517 HydrophobicContact CG-CD1 4.12Å; M513-I517 WeakPolarHBondContact O-CG1 3.43Å; M513-I517 PolarHBondContact O-N 3.35Å |
| 514 | M | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.4 | -76.5 | -55.1 | -51 | 0 | 0 | 112.6 | L440 F461 W488 L510 G511 T516 I517 I518 | L440-M514 HydrophobicContact CD1-SD 3.65Å; L440-M514 HydrophobicContact CD2-SD 3.8Å; L440-M514 HydrophobicContact CG-SD 4.38Å; F461-M514 HydrophobicContact CD2-CE 3.55Å; F461-M514 HydrophobicContact CD2-SD 4.02Å; F461-M514 HydrophobicContact CE2-CE 3.6Å; F461-M514 HydrophobicContact CE2-SD 4.34Å; F461-M514 HydrophobicContact CG-CE 4.22Å; F461-M514 HydrophobicContact CZ-CE 4.29Å; W488-M514 HydrophobicContact CD2-CB 3.7Å; W488-M514 HydrophobicContact CD2-CE 4.32Å; W488-M514 HydrophobicContact CD2-CG 4.21Å; W488-M514 VanDerWaalsContact CE2-CB 3.47Å; W488-M514 HydrophobicContact CE3-CB 3.88Å; W488-M514 HydrophobicContact CE3-CE 4.36Å; W488-M514 HydrophobicContact CE3-CG 3.89Å; W488-M514 HydrophobicContact CG-CB 4.46Å; W488-M514 HydrophobicContact CG-CE 4.38Å; W488-M514 HydrophobicContact CH2-CB 3.8Å; W488-M514 HydrophobicContact CH2-CG 4.11Å; W488-M514 HydrophobicContact CZ2-CB 3.55Å; W488-M514 HydrophobicContact CZ2-CG 4.36Å; W488-M514 HydrophobicContact CZ3-CB 3.94Å; W488-M514 HydrophobicContact CZ3-CG 3.85Å; L510-M514 HydrophobicContact CD1-CG 4.07Å; L510-M514 WeakPolarHBondContact O-CB 3.18Å; L510-M514 WeakPolarHBondContact O-CG 3.22Å; L510-M514 PolarHBondContact O-N 3.2Å; G511-M514 PolarHBondContact O-N 2.77Å; M514-T516 VanDerWaalsContact C-N 3.25Å; M514-T516 PolarHBondContact O-N 3.29Å; M514-I517 HydrophobicContact CE-CG2 4.44Å; M514-I517 PolarHBondContact O-N 2.99Å; M514-I517 HydrophobicContact SD-CD1 3.96Å; M514-I518 HydrophobicContact CE-CD1 4.29Å; M514-I518 WeakPolarHBondContact O-CG1 3.32Å; M514-I518 PolarHBondContact O-N 3.08Å |
| 515 | N | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -34.4 | 174.6 | -67.5 | -27.8 | 0 | 0 | 0 | 112.4 | V123 P247 W488 G511 K512 M513 F519 | V123-N515 PolarHBondContact O-ND2 3.21Å; P247-N515 HydrophobicContact CG-CB 4.12Å; W488-N515 PolarHBondContact NE1-OD1 3.45Å; G511-N515 WeakPolarHBondContact O-CB 3.5Å; G511-N515 PolarHBondContact O-N 3.12Å; G511-N515 PolarHBondContact O-ND2 2.99Å; G511-N515 VanDerWaalsContact O-ND2 3.08Å; K512-N515 PolarHBondContact O-N 3.39Å; M513-N515 VanDerWaalsContact C-N 3.33Å; M513-N515 PolarHBondContact O-N 3.15Å; N515-F519 PolarHBondContact O-N 2.7Å; N515-F519 VanDerWaalsContact O-N 3.13Å |
| 516 | T | 98.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.4 | -46.9 | 173.2 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | M246 K512 M513 M514 I518 F519 H520 | M246-T516 HydrophobicContact CE-CG2 3.99Å; M246-T516 HydrophobicContact CG-CG2 4.01Å; K512-T516 PolarHBondContact O-N 3.36Å; K512-T516 VanDerWaalsContact O-N 3.13Å; K512-T516 PolarHBondContact O-OG1 3.12Å; M513-T516 WeakPolarHBondContact O-CA 3.35Å; M513-T516 WeakPolarHBondContact O-CB 3.46Å; M513-T516 PolarHBondContact O-N 3.27Å; M513-T516 VanDerWaalsContact O-N 3.07Å; M514-T516 VanDerWaalsContact C-N 3.25Å; M514-T516 PolarHBondContact O-N 3.29Å; T516-I518 VanDerWaalsContact C-N 3.34Å; T516-I518 PolarHBondContact O-N 3.48Å; T516-F519 WeakPolarHBondContact O-CB 3.15Å; T516-F519 PolarHBondContact O-N 3.01Å; T516-F519 VanDerWaalsContact O-N 3.16Å; T516-H520 PolarHBondContact O-CD2 3.11Å; T516-H520 PolarHBondContact O-N 3.14Å |
| 517 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.3 | -66.1 | 175.2 | 0 | 0 | 0 | 110.8 | L432 D436 L440 M465 M484 M513 M514 F519 H520 T521 | L432-I517 HydrophobicContact CD2-CG2 3.88Å; D436-I517 HydrophobicContact CB-CD1 4.07Å; D436-I517 HydrophobicContact CB-CG1 3.87Å; L440-I517 HydrophobicContact CB-CD1 4.08Å; L440-I517 HydrophobicContact CD2-CD1 4.19Å; M465-I517 HydrophobicContact SD-CD1 4.32Å; M465-I517 HydrophobicContact SD-CG2 3.67Å; M484-I517 HydrophobicContact CE-CG2 3.68Å; M513-I517 HydrophobicContact CG-CD1 4.12Å; M513-I517 WeakPolarHBondContact O-CG1 3.43Å; M513-I517 PolarHBondContact O-N 3.35Å; M514-I517 HydrophobicContact CE-CG2 4.44Å; M514-I517 PolarHBondContact O-N 2.99Å; M514-I517 HydrophobicContact SD-CD1 3.96Å; I517-F519 VanDerWaalsContact C-N 3.31Å; I517-F519 PolarHBondContact O-N 3.38Å; I517-H520 CarbonylContact O-C 3.58Å; I517-H520 WeakPolarHBondContact O-CA 3.5Å; I517-H520 WeakPolarHBondContact O-CB 3.34Å; I517-H520 PolarHBondContact O-N 3.45Å; I517-T521 WeakPolarHBondContact O-CG2 3.25Å; I517-T521 PolarHBondContact O-N 3.21Å |
| 518 | I | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 5% | 0.051 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 177.6 | -69.2 | -35.8 | 0 | 0 | 0 | 111.2 | R485 W488 M514 T516 H520 T521 K522 | R485-I518 HydrophobicContact CG-CD1 4.18Å; R485-I518 HydrophobicContact CG-CG2 3.96Å; W488-I518 HydrophobicContact CB-CD1 4.06Å; W488-I518 HydrophobicContact CB-CG1 4.17Å; W488-I518 VanDerWaalsContact CD1-CG1 3.42Å; W488-I518 HydrophobicContact CG-CD1 4.33Å; W488-I518 HydrophobicContact CG-CG1 3.94Å; M514-I518 HydrophobicContact CE-CD1 4.29Å; M514-I518 WeakPolarHBondContact O-CG1 3.32Å; M514-I518 PolarHBondContact O-N 3.08Å; T516-I518 VanDerWaalsContact C-N 3.34Å; T516-I518 PolarHBondContact O-N 3.48Å; I518-H520 VanDerWaalsContact C-N 3.32Å; I518-H520 PolarHBondContact O-N 2.98Å; I518-T521 PolarHBondContact O-N 2.85Å; I518-T521 PolarHBondContact O-OG1 3.08Å; I518-K522 PolarHBondContact O-N 3.4Å; I518-K522 VanDerWaalsContact O-N 3.14Å |
| 519 | F | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 172 | 174.7 | -100.7 | 0 | 0 | 0 | 111.3 | M246 Y250 A366 L367 F370 N515 T516 I517 T521 K522 M523 M530 | M246-F519 HydrophobicContact CB-CB 3.96Å; M246-F519 HydrophobicContact CB-CD1 4.48Å; M246-F519 HydrophobicContact CB-CG 4.16Å; M246-F519 HydrophobicContact CE-CD1 4.04Å; M246-F519 HydrophobicContact CE-CE1 4.33Å; M246-F519 HydrophobicContact CG-CB 4.37Å; M246-F519 HydrophobicContact CG-CD1 4.33Å; M246-F519 HydrophobicContact CG-CG 4.47Å; M246-F519 HydrophobicContact SD-CD1 4.32Å; Y250-F519 HydrophobicContact CD1-CE2 4.37Å; Y250-F519 AromaticContact CE1-CD2 3.63Å; Y250-F519 HydrophobicContact CE1-CD2 3.63Å; Y250-F519 AromaticContact CE1-CE2 3.74Å; Y250-F519 HydrophobicContact CE1-CE2 3.74Å; A366-F519 HydrophobicContact CB-CZ 4.45Å; L367-F519 HydrophobicContact CB-CZ 4.34Å; L367-F519 HydrophobicContact CD1-CE2 4.34Å; L367-F519 HydrophobicContact CD1-CZ 4.15Å; F370-F519 HydrophobicContact CD2-CE2 4.24Å; F370-F519 HydrophobicContact CD2-CZ 4.28Å; N515-F519 PolarHBondContact O-N 2.7Å; N515-F519 VanDerWaalsContact O-N 3.13Å; T516-F519 WeakPolarHBondContact O-CB 3.15Å; T516-F519 PolarHBondContact O-N 3.01Å; T516-F519 VanDerWaalsContact O-N 3.16Å; I517-F519 VanDerWaalsContact C-N 3.31Å; I517-F519 PolarHBondContact O-N 3.38Å; F519-T521 VanDerWaalsContact C-N 3.34Å; F519-T521 PolarHBondContact O-N 3.42Å; F519-K522 WeakPolarHBondContact O-CB 3.32Å; F519-K522 PolarHBondContact O-N 2.76Å; F519-K522 VanDerWaalsContact O-N 3.08Å; F519-M523 HydrophobicContact CD1-CG 4.33Å; F519-M523 HydrophobicContact CD2-CE 4.18Å; F519-M523 HydrophobicContact CE1-CG 3.88Å; F519-M523 HydrophobicContact CE1-SD 4.11Å; F519-M523 HydrophobicContact CE2-CE 3.65Å; F519-M523 HydrophobicContact CE2-CG 4.48Å; F519-M523 HydrophobicContact CE2-SD 3.97Å; F519-M523 HydrophobicContact CZ-CE 3.92Å; F519-M523 HydrophobicContact CZ-CG 3.96Å; F519-M523 HydrophobicContact CZ-SD 3.57Å; F519-M523 VanDerWaalsContact CZ-SD 3.57Å; F519-M523 WeakPolarHBondContact O-CG 3.15Å; F519-M523 PolarHBondContact O-N 3.2Å; F519-M523 VanDerWaalsContact O-N 3.16Å; F519-M530 HydrophobicContact CE2-CE 4.23Å |
| 520 | H | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60 | -40.2 | 176.2 | -61.5 | 170.9 | 0 | 0 | 0 | 112.6 | Y428 Y431 L432 D436 T516 I517 I518 K522 M523 | Y428-H520 HydrophobicContact CD1-CB 3.73Å; Y428-H520 AromaticContact CD1-CD2 3.42Å; Y428-H520 VanDerWaalsContact CD1-CD2 3.42Å; Y428-H520 WeakPolarHBondContact CD1-CD2 3.35Å; Y428-H520 AromaticContact CD1-CG 3.6Å; Y428-H520 HydrophobicContact CE1-CB 4.43Å; Y428-H520 AromaticContact CE1-CD2 3.23Å; Y428-H520 WeakPolarHBondContact CE1-CD2 3.43Å; Y428-H520 AromaticContact CE1-CG 3.91Å; Y428-H520 AromaticContact CE1-NE2 3.7Å; Y431-H520 AromaticContact CD1-CE1 3.73Å; Y431-H520 AromaticContact CD1-ND1 3.89Å; Y431-H520 AromaticContact CE1-CE1 3.79Å; L432-H520 HydrophobicContact CD1-CB 4.4Å; L432-H520 HydrophobicContact CD2-CB 3.81Å; L432-H520 HydrophobicContact CG-CB 3.97Å; D436-H520 IonicContact OD1-CE1 2.8Å; D436-H520 IonicContact OD1-ND1 3.78Å; D436-H520 IonicContact OD2-CE1 3.51Å; D436-H520 IonicContact OD2-CG 3.91Å; D436-H520 IonicContact OD2-ND1 2.73Å; D436-H520 PolarHBondContact OD2-ND1 2.83Å; T516-H520 PolarHBondContact O-CD2 3.11Å; T516-H520 PolarHBondContact O-N 3.14Å; I517-H520 CarbonylContact O-C 3.58Å; I517-H520 WeakPolarHBondContact O-CA 3.5Å; I517-H520 WeakPolarHBondContact O-CB 3.34Å; I517-H520 PolarHBondContact O-N 3.45Å; I518-H520 VanDerWaalsContact C-N 3.32Å; I518-H520 PolarHBondContact O-N 2.98Å; H520-K522 VanDerWaalsContact C-N 3.3Å; H520-K522 PolarHBondContact O-N 2.72Å; H520-M523 WeakPolarHBondContact O-CB 3.39Å; H520-M523 PolarHBondContact O-N 3.27Å; H520-M523 VanDerWaalsContact O-N 3.16Å |
| 521 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 173.6 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | L432 F481 M484 R485 I517 I518 F519 M523 V524 D525 | L432-T521 HydrophobicContact CD1-CG2 4.44Å; L432-T521 HydrophobicContact CD2-CG2 4.21Å; F481-T521 HydrophobicContact CB-CG2 4.36Å; F481-T521 HydrophobicContact CG-CG2 4.27Å; M484-T521 HydrophobicContact CE-CG2 4.16Å; M484-T521 HydrophobicContact SD-CG2 3.88Å; R485-T521 PolarHBondContact NH1-OG1 2.94Å; I517-T521 WeakPolarHBondContact O-CG2 3.25Å; I517-T521 PolarHBondContact O-N 3.21Å; I518-T521 PolarHBondContact O-N 2.85Å; I518-T521 PolarHBondContact O-OG1 3.08Å; F519-T521 VanDerWaalsContact C-N 3.34Å; F519-T521 PolarHBondContact O-N 3.42Å; T521-M523 PolarHBondContact O-N 3.47Å; T521-V524 WeakPolarHBondContact O-CA 3.38Å; T521-V524 WeakPolarHBondContact O-CB 3.46Å; T521-V524 PolarHBondContact O-N 3.16Å; T521-D525 PolarHBondContact O-N 3.21Å |
| 522 | K | 98.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 23 Ų | 23 | 14% | 0.135 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.9 | -27.7 | 179.8 | -69.9 | -172.5 | 173 | -169.4 | 0 | 112.7 | I518 F519 H520 V524 S526 L527 M530 E533 | I518-K522 PolarHBondContact O-N 3.4Å; I518-K522 VanDerWaalsContact O-N 3.14Å; F519-K522 WeakPolarHBondContact O-CB 3.32Å; F519-K522 PolarHBondContact O-N 2.76Å; F519-K522 VanDerWaalsContact O-N 3.08Å; H520-K522 VanDerWaalsContact C-N 3.3Å; H520-K522 PolarHBondContact O-N 2.72Å; K522-V524 PolarHBondContact O-N 3.08Å; K522-S526 CarbonylContact O-C 3.59Å; K522-S526 VanDerWaalsContact O-C 3.28Å; K522-S526 WeakPolarHBondContact O-CA 3.29Å; K522-S526 PolarHBondContact O-N 3.02Å; K522-S526 VanDerWaalsContact O-N 3.07Å; K522-L527 PolarHBondContact O-N 2.82Å; K522-M530 HydrophobicContact CB-CG 4.12Å; K522-M530 HydrophobicContact CB-SD 4.42Å; K522-M530 HydrophobicContact CD-CG 4.19Å; K522-M530 HydrophobicContact CD-SD 3.57Å; K522-M530 VanDerWaalsContact CD-SD 3.57Å; K522-E533 IonicContact NZ-OE2 3.25Å; K522-E533 PolarHBondContact NZ-OE2 3.31Å |
| 523 | M | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.4 | -8.1 | 174.5 | -59.3 | -58.8 | 93.3 | 0 | 0 | 113.1 | A366 F370 M424 Y428 F519 H520 T521 L527 M530 | A366-M523 HydrophobicContact CB-CG 4.44Å; A366-M523 HydrophobicContact CB-SD 3.75Å; F370-M523 HydrophobicContact CD2-CE 4.07Å; F370-M523 HydrophobicContact CD2-SD 4.05Å; F370-M523 HydrophobicContact CE2-CE 3.5Å; F370-M523 VanDerWaalsContact CE2-CE 3.5Å; F370-M523 HydrophobicContact CE2-SD 3.33Å; F370-M523 WeakPolarHBondContact CE2-SD 3.25Å; F370-M523 HydrophobicContact CZ-CE 3.91Å; F370-M523 HydrophobicContact CZ-SD 4.12Å; M424-M523 HydrophobicContact CE-SD 3.88Å; Y428-M523 HydrophobicContact CD1-CB 4.19Å; Y428-M523 HydrophobicContact CD1-CG 4.28Å; Y428-M523 HydrophobicContact CD2-CB 3.19Å; Y428-M523 HydrophobicContact CD2-CG 3.69Å; Y428-M523 HydrophobicContact CE1-CG 4.19Å; Y428-M523 HydrophobicContact CE2-CB 3.66Å; Y428-M523 HydrophobicContact CE2-CG 3.61Å; Y428-M523 HydrophobicContact CE2-SD 4.49Å; Y428-M523 HydrophobicContact CG-CB 3.5Å; Y428-M523 HydrophobicContact CG-CG 4.04Å; F519-M523 HydrophobicContact CD1-CG 4.33Å; F519-M523 HydrophobicContact CD2-CE 4.18Å; F519-M523 HydrophobicContact CE1-CG 3.88Å; F519-M523 HydrophobicContact CE1-SD 4.11Å; F519-M523 HydrophobicContact CE2-CE 3.65Å; F519-M523 HydrophobicContact CE2-CG 4.48Å; F519-M523 HydrophobicContact CE2-SD 3.97Å; F519-M523 HydrophobicContact CZ-CE 3.92Å; F519-M523 HydrophobicContact CZ-CG 3.96Å; F519-M523 HydrophobicContact CZ-SD 3.57Å; F519-M523 VanDerWaalsContact CZ-SD 3.57Å; F519-M523 WeakPolarHBondContact O-CG 3.15Å; F519-M523 PolarHBondContact O-N 3.2Å; F519-M523 VanDerWaalsContact O-N 3.16Å; H520-M523 WeakPolarHBondContact O-CB 3.39Å; H520-M523 PolarHBondContact O-N 3.27Å; H520-M523 VanDerWaalsContact O-N 3.16Å; T521-M523 PolarHBondContact O-N 3.47Å; M523-L527 HydrophobicContact CE-CD2 4.32Å; M523-L527 HydrophobicContact SD-CD2 4.19Å; M523-M530 HydrophobicContact CE-CE 4.13Å; M523-M530 HydrophobicContact CE-CG 3.95Å |
| 524 | V | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -101.3 | -56.2 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | Q425 V429 L432 F479 F481 T521 K522 | Q425-V524 HydrophobicContact CG-CG1 4.37Å; Q425-V524 WeakPolarHBondContact CG-O 3.3Å; Q425-V524 PolarHBondContact NE2-O 3.33Å; V429-V524 HydrophobicContact CG2-CG1 3.86Å; V429-V524 HydrophobicContact CG2-CG2 3.93Å; L432-V524 HydrophobicContact CD1-CG2 4.1Å; F479-V524 HydrophobicContact CB-CG1 3.94Å; F479-V524 HydrophobicContact CD1-CG1 3.96Å; F479-V524 HydrophobicContact CD2-CG1 3.51Å; F479-V524 HydrophobicContact CE1-CG1 4.36Å; F479-V524 HydrophobicContact CE2-CG1 3.96Å; F479-V524 HydrophobicContact CG-CG1 3.52Å; F479-V524 HydrophobicContact CZ-CG1 4.36Å; F481-V524 HydrophobicContact CE2-CB 3.9Å; F481-V524 HydrophobicContact CE2-CG1 3.84Å; T521-V524 WeakPolarHBondContact O-CA 3.38Å; T521-V524 WeakPolarHBondContact O-CB 3.46Å; T521-V524 PolarHBondContact O-N 3.16Å; K522-V524 PolarHBondContact O-N 3.08Å |
| 525 | D | 97.9 | Very high | 98.2 | Very high | 42 Ų | 42 | 23.1 Ų | 23.1 | 23% | 0.225 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -107.1 | -18.3 | -171.4 | 74 | -32.9 | 0 | 0 | 0 | 115.4 | F479 F481 R485 T521 | F479-D525 HydrophobicContact CB-CB 3.92Å; F479-D525 WeakPolarHBondContact O-CB 3.29Å; F481-D525 HydrophobicContact CD2-CB 3.98Å; F481-D525 PolarHBondContact N-OD2 3.28Å; R485-D525 IonicContact CZ-OD1 3.87Å; R485-D525 IonicContact CZ-OD2 2.69Å; R485-D525 IonicContact NH1-OD1 3.94Å; R485-D525 PolarHBondContact NH1-OD1 3.15Å; R485-D525 IonicContact NH1-OD2 3.36Å; R485-D525 PolarHBondContact NH1-OD2 3.1Å; R485-D525 IonicContact NH2-OD1 2.93Å; R485-D525 PolarHBondContact NH2-OD1 2.9Å; R485-D525 IonicContact NH2-OD2 3.3Å; R485-D525 PolarHBondContact NH2-OD2 3.2Å; T521-D525 PolarHBondContact O-N 3.21Å |
| 526 | S | 98.1 | Very high | 98.2 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | trans | -116.5 | 24.4 | -171.3 | -72.8 | 0 | 0 | 0 | 0 | 114 | R485 K522 V528 E529 M530 | R485-S526 PolarHBondContact NH2-OG 3.18Å; R485-S526 VanDerWaalsContact NH2-OG 3.09Å; K522-S526 CarbonylContact O-C 3.59Å; K522-S526 VanDerWaalsContact O-C 3.28Å; K522-S526 WeakPolarHBondContact O-CA 3.29Å; K522-S526 PolarHBondContact O-N 3.02Å; K522-S526 VanDerWaalsContact O-N 3.07Å; S526-V528 VanDerWaalsContact C-N 3.28Å; S526-V528 PolarHBondContact O-N 3.43Å; S526-E529 WeakPolarHBondContact CB-OE2 3.23Å; S526-E529 PolarHBondContact O-N 3.03Å; S526-E529 PolarHBondContact OG-OE2 3.2Å; S526-M530 WeakPolarHBondContact O-CB 3.46Å; S526-M530 VanDerWaalsContact O-CG 3.3Å; S526-M530 WeakPolarHBondContact O-CG 3.47Å; S526-M530 PolarHBondContact O-N 2.98Å | ||
| 527 | L | 98.2 | Very high | 98.3 | Very high | 16 Ų | 16 | 23.4 Ų | 23.4 | 8% | 0.084 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.9 | -41.6 | 179.6 | -69.3 | 176.4 | 0 | 0 | 0 | 112.3 | F370 V417 M424 Q425 K522 M523 M530 L531 | F370-L527 HydrophobicContact CZ-CD2 4.23Å; V417-L527 HydrophobicContact CG1-CB 4.05Å; V417-L527 HydrophobicContact CG1-CD1 4.48Å; V417-L527 HydrophobicContact CG1-CD2 4.18Å; V417-L527 HydrophobicContact CG1-CG 4.48Å; M424-L527 HydrophobicContact CB-CD1 4.25Å; M424-L527 HydrophobicContact CE-CD2 3.62Å; M424-L527 HydrophobicContact SD-CD1 4.27Å; M424-L527 HydrophobicContact SD-CD2 3.92Å; Q425-L527 HydrophobicContact CG-CD1 4.48Å; K522-L527 PolarHBondContact O-N 2.82Å; M523-L527 HydrophobicContact CE-CD2 4.32Å; M523-L527 HydrophobicContact SD-CD2 4.19Å; L527-M530 PolarHBondContact O-N 3.31Å; L527-L531 WeakPolarHBondContact O-CG 3.45Å; L527-L531 PolarHBondContact O-N 2.95Å |
| 528 | V | 95.9 | Very high | 98.3 | Very high | 107 Ų | 107 | 23.8 Ų | 23.8 | 65% | 0.648 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -66.2 | -44.9 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | S526 M530 L531 V532 | S526-V528 VanDerWaalsContact C-N 3.28Å; S526-V528 PolarHBondContact O-N 3.43Å; V528-M530 VanDerWaalsContact C-N 3.34Å; V528-M530 PolarHBondContact O-N 3.32Å; V528-L531 WeakPolarHBondContact O-CB 3.42Å; V528-L531 PolarHBondContact O-N 3.2Å; V528-V532 PolarHBondContact O-N 3.37Å |
| 529 | E | 97 | Very high | 98.3 | Very high | 116 Ų | 116 | 24.7 Ų | 24.7 | 54% | 0.542 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 177 | -63.8 | 177.3 | 159.6 | 0 | 0 | 111.3 | S526 L531 V532 E533 | S526-E529 WeakPolarHBondContact CB-OE2 3.23Å; S526-E529 PolarHBondContact O-N 3.03Å; S526-E529 PolarHBondContact OG-OE2 3.2Å; E529-L531 VanDerWaalsContact C-N 3.31Å; E529-L531 PolarHBondContact O-N 3.09Å; E529-V532 WeakPolarHBondContact O-CB 3.36Å; E529-V532 PolarHBondContact O-N 2.64Å; E529-E533 PolarHBondContact O-N 3.11Å |
| 530 | M | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 176.4 | -78.6 | -66.5 | -61.6 | 0 | 0 | 112.4 | Y250 F370 F519 K522 M523 S526 L527 V528 V532 E533 T534 | Y250-M530 HydrophobicContact CD2-CE 4.2Å; Y250-M530 HydrophobicContact CE1-CE 4.15Å; Y250-M530 HydrophobicContact CE2-CE 3.74Å; Y250-M530 HydrophobicContact CE2-SD 4.37Å; F370-M530 HydrophobicContact CB-CE 4.22Å; F370-M530 HydrophobicContact CD1-CB 4.08Å; F370-M530 HydrophobicContact CD1-CE 3.82Å; F370-M530 HydrophobicContact CD2-CE 4.16Å; F370-M530 HydrophobicContact CE1-CB 3.52Å; F370-M530 HydrophobicContact CE1-CE 4.24Å; F370-M530 HydrophobicContact CG-CE 3.77Å; F370-M530 HydrophobicContact CZ-CB 4Å; F519-M530 HydrophobicContact CE2-CE 4.23Å; K522-M530 HydrophobicContact CB-CG 4.12Å; K522-M530 HydrophobicContact CB-SD 4.42Å; K522-M530 HydrophobicContact CD-CG 4.19Å; K522-M530 HydrophobicContact CD-SD 3.57Å; K522-M530 VanDerWaalsContact CD-SD 3.57Å; M523-M530 HydrophobicContact CE-CE 4.13Å; M523-M530 HydrophobicContact CE-CG 3.95Å; S526-M530 WeakPolarHBondContact O-CB 3.46Å; S526-M530 VanDerWaalsContact O-CG 3.3Å; S526-M530 WeakPolarHBondContact O-CG 3.47Å; S526-M530 PolarHBondContact O-N 2.98Å; L527-M530 PolarHBondContact O-N 3.31Å; V528-M530 VanDerWaalsContact C-N 3.34Å; V528-M530 PolarHBondContact O-N 3.32Å; M530-V532 VanDerWaalsContact C-N 3.33Å; M530-E533 PolarHBondContact O-N 2.84Å; M530-T534 HydrophobicContact CE-CG2 4.32Å; M530-T534 WeakPolarHBondContact O-CB 3.26Å; M530-T534 WeakPolarHBondContact O-CG2 3.49Å; M530-T534 PolarHBondContact O-N 3.31Å; M530-T534 PolarHBondContact O-OG1 3.17Å |
| 531 | L | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -38.9 | 172.8 | -71.4 | -175.1 | 0 | 0 | 0 | 111.6 | F370 L373 R414 V417 R418 L527 V528 E529 S535 | F370-L531 HydrophobicContact CE1-CD2 4.11Å; L373-L531 HydrophobicContact CD1-CD2 3.73Å; R414-L531 HydrophobicContact CB-CD1 4.35Å; R414-L531 HydrophobicContact CB-CD2 4.41Å; R414-L531 HydrophobicContact CG-CD2 4.01Å; R414-L531 PolarHBondContact NH1-O 3.19Å; V417-L531 HydrophobicContact CB-CD1 4.2Å; V417-L531 HydrophobicContact CB-CD2 4.03Å; V417-L531 HydrophobicContact CB-CG 4.44Å; V417-L531 HydrophobicContact CG1-CD1 4.04Å; V417-L531 HydrophobicContact CG1-CD2 4.07Å; V417-L531 HydrophobicContact CG1-CG 4.08Å; V417-L531 HydrophobicContact CG2-CD2 4.13Å; R418-L531 HydrophobicContact CG-CD1 3.99Å; L527-L531 WeakPolarHBondContact O-CG 3.45Å; L527-L531 PolarHBondContact O-N 2.95Å; V528-L531 WeakPolarHBondContact O-CB 3.42Å; V528-L531 PolarHBondContact O-N 3.2Å; E529-L531 VanDerWaalsContact C-N 3.31Å; E529-L531 PolarHBondContact O-N 3.09Å; L531-S535 PolarHBondContact O-N 2.79Å; L531-S535 PolarHBondContact O-OG 3.15Å |
| 532 | V | 98.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 26.9 Ų | 26.9 | 33% | 0.333 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67 | -50.5 | 175.3 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | V528 E529 M530 T534 D536 | V528-V532 PolarHBondContact O-N 3.37Å; E529-V532 WeakPolarHBondContact O-CB 3.36Å; E529-V532 PolarHBondContact O-N 2.64Å; M530-V532 VanDerWaalsContact C-N 3.33Å; V532-T534 VanDerWaalsContact C-N 3.29Å; V532-T534 PolarHBondContact O-N 3.35Å; V532-D536 HydrophobicContact CG1-CB 4.11Å; V532-D536 WeakPolarHBondContact O-CB 3.46Å; V532-D536 PolarHBondContact O-N 3.34Å |
| 533 | E | 97.9 | Very high | 98.2 | Very high | 71 Ų | 71 | 26 Ų | 26 | 33% | 0.332 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -54.1 | -45.2 | -179.1 | -173.6 | -179.6 | 160.8 | 0 | 0 | 112.1 | R377 K522 E529 M530 | R377-E533 PolarHBondContact NH1-O 2.95Å; R377-E533 PolarHBondContact NH2-O 3.45Å; K522-E533 IonicContact NZ-OE2 3.25Å; K522-E533 PolarHBondContact NZ-OE2 3.31Å; E529-E533 PolarHBondContact O-N 3.11Å; M530-E533 PolarHBondContact O-N 2.84Å |
| 534 | T | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -95.6 | -20.4 | -170.7 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | Y250 F370 L373 S374 R377 M530 V532 | Y250-T534 HydrophobicContact CD2-CG2 3.81Å; Y250-T534 HydrophobicContact CG-CG2 4.38Å; F370-T534 HydrophobicContact CB-CG2 4.19Å; F370-T534 HydrophobicContact CD1-CG2 4.2Å; L373-T534 CarbonylContact C-O 3.21Å; L373-T534 VanDerWaalsContact C-O 3.22Å; S374-T534 VanDerWaalsContact CA-O 3.25Å; S374-T534 WeakPolarHBondContact CA-O 3.29Å; S374-T534 PolarHBondContact N-O 2.62Å; R377-T534 WeakPolarHBondContact CB-O 3.37Å; M530-T534 HydrophobicContact CE-CG2 4.32Å; M530-T534 WeakPolarHBondContact O-CB 3.26Å; M530-T534 WeakPolarHBondContact O-CG2 3.49Å; M530-T534 PolarHBondContact O-N 3.31Å; M530-T534 PolarHBondContact O-OG1 3.17Å; V532-T534 VanDerWaalsContact C-N 3.29Å; V532-T534 PolarHBondContact O-N 3.35Å |
| 535 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -141.8 | 12.5 | -174.1 | 54.9 | 0 | 0 | 0 | 0 | 116 | R414 L531 L537 | R414-S535 WeakPolarHBondContact CD-OG 3.42Å; R414-S535 PolarHBondContact NH1-OG 2.92Å; L531-S535 PolarHBondContact O-N 2.79Å; L531-S535 PolarHBondContact O-OG 3.15Å; S535-L537 PolarHBondContact O-N 2.95Å |
| 536 | D | 98.6 | Very high | 97.7 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.15 | 18% | 0.183 | C | C | . | . | trans | -59.3 | 135.5 | 170.2 | -179.4 | 41.5 | 0 | 0 | 0 | 111.5 | R377 V532 S538 H573 | R377-D536 VanDerWaalsContact CG-O 3.32Å; R377-D536 WeakPolarHBondContact CG-O 3.4Å; V532-D536 HydrophobicContact CG1-CB 4.11Å; V532-D536 WeakPolarHBondContact O-CB 3.46Å; V532-D536 PolarHBondContact O-N 3.34Å; D536-S538 VanDerWaalsContact OD1-CB 3.3Å; D536-S538 WeakPolarHBondContact OD1-CB 3.37Å; D536-S538 PolarHBondContact OD1-N 3.28Å; D536-S538 PolarHBondContact OD1-OG 3.46Å; D536-S538 WeakPolarHBondContact OD2-CB 3.41Å; D536-S538 PolarHBondContact OD2-OG 3.34Å; D536-H573 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 537 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -134.8 | 22.4 | -178.5 | -74.5 | 174.7 | 0 | 0 | 0 | 110.9 | R377 I380 I381 M410 S535 I539 F540 L570 H573 | R377-L537 HydrophobicContact CG-CD2 3.93Å; R377-L537 HydrophobicContact CG-CG 4.36Å; I380-L537 HydrophobicContact CB-CD2 4.18Å; I380-L537 HydrophobicContact CD1-CD1 3.93Å; I380-L537 HydrophobicContact CD1-CD2 4.41Å; I380-L537 HydrophobicContact CG2-CD2 3.78Å; I381-L537 HydrophobicContact CG2-CD2 4.15Å; M410-L537 HydrophobicContact CE-CD1 3.89Å; M410-L537 HydrophobicContact CE-CG 4.45Å; M410-L537 HydrophobicContact SD-CD1 4.27Å; S535-L537 PolarHBondContact O-N 2.95Å; L537-I539 HydrophobicContact CD2-CG2 4.42Å; L537-I539 PolarHBondContact O-N 3.4Å; L537-F540 HydrophobicContact CB-CD2 4.12Å; L537-F540 HydrophobicContact CB-CE2 4.35Å; L537-F540 HydrophobicContact CD1-CE2 4.41Å; L537-F540 HydrophobicContact CD2-CE2 4.37Å; L537-F540 WeakPolarHBondContact O-CD2 3.15Å; L537-F540 PolarHBondContact O-N 2.89Å; L537-F540 VanDerWaalsContact O-N 3.08Å; L537-L570 HydrophobicContact CB-CD2 3.85Å; L537-L570 HydrophobicContact CD1-CD1 4.37Å; L537-L570 HydrophobicContact CD1-CD2 3.84Å; L537-L570 HydrophobicContact CG-CD2 4.48Å; L537-H573 PolarHBondContact N-ND1 2.82Å | ||
| 538 | S | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -50.7 | -19.8 | 169.3 | 65.5 | 0 | 0 | 0 | 0 | 113.7 | D536 F540 C541 H573 C577 | D536-S538 VanDerWaalsContact OD1-CB 3.3Å; D536-S538 WeakPolarHBondContact OD1-CB 3.37Å; D536-S538 PolarHBondContact OD1-N 3.28Å; D536-S538 PolarHBondContact OD1-OG 3.46Å; D536-S538 WeakPolarHBondContact OD2-CB 3.41Å; D536-S538 PolarHBondContact OD2-OG 3.34Å; S538-F540 PolarHBondContact O-N 3.41Å; S538-F540 VanDerWaalsContact O-N 3.11Å; S538-C541 WeakPolarHBondContact O-CB 3.27Å; S538-C541 PolarHBondContact O-N 2.96Å; S538-H573 WeakPolarHBondContact CB-O 3.36Å; S538-C577 WeakPolarHBondContact OG-CB 3.43Å |
| 539 | I | 98.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -50.6 | -30.8 | 171.9 | -166.9 | 58 | 0 | 0 | 0 | 113.6 | R295 I381 L384 L537 C541 F542 Y543 | R295-I539 HydrophobicContact CB-CD1 4.39Å; R295-I539 WeakPolarHBondContact O-CD1 3.45Å; I381-I539 HydrophobicContact CG2-CG2 3.96Å; L384-I539 HydrophobicContact CD2-CG1 4.09Å; L384-I539 HydrophobicContact CD2-CG2 3.93Å; L537-I539 HydrophobicContact CD2-CG2 4.42Å; L537-I539 PolarHBondContact O-N 3.4Å; I539-C541 PolarHBondContact O-N 3.03Å; I539-F542 HydrophobicContact CD1-CD2 4.35Å; I539-F542 PolarHBondContact O-N 3.42Å; I539-Y543 HydrophobicContact CD1-CD2 4.17Å; I539-Y543 HydrophobicContact CD1-CE2 3.98Å; I539-Y543 HydrophobicContact CG1-CD2 3.92Å; I539-Y543 HydrophobicContact CG1-CE2 4Å; I539-Y543 PolarHBondContact O-N 2.88Å |
| 540 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -62.4 | -21 | 175.8 | -80 | -67.3 | 0 | 0 | 0 | 113.5 | I380 L384 I407 L537 S538 F542 Y543 S544 F547 M550 L570 F574 | I380-F540 HydrophobicContact CG2-CE2 3.93Å; I380-F540 HydrophobicContact CG2-CZ 3.81Å; L384-F540 HydrophobicContact CD1-CD1 4.25Å; L384-F540 HydrophobicContact CD1-CE1 3.8Å; L384-F540 HydrophobicContact CD2-CD1 4.11Å; L384-F540 HydrophobicContact CD2-CE1 4.09Å; I407-F540 HydrophobicContact CD1-CE2 4.27Å; I407-F540 HydrophobicContact CD1-CZ 4.23Å; L537-F540 HydrophobicContact CB-CD2 4.12Å; L537-F540 HydrophobicContact CB-CE2 4.35Å; L537-F540 HydrophobicContact CD1-CE2 4.41Å; L537-F540 HydrophobicContact CD2-CE2 4.37Å; L537-F540 WeakPolarHBondContact O-CD2 3.15Å; L537-F540 PolarHBondContact O-N 2.89Å; L537-F540 VanDerWaalsContact O-N 3.08Å; S538-F540 PolarHBondContact O-N 3.41Å; S538-F540 VanDerWaalsContact O-N 3.11Å; F540-F542 PolarHBondContact O-N 3.4Å; F540-Y543 CarbonylContact O-C 3.54Å; F540-Y543 VanDerWaalsContact O-C 3.28Å; F540-Y543 PolarHBondContact O-N 3.01Å; F540-S544 PolarHBondContact O-N 3.29Å; F540-F547 HydrophobicContact CB-CB 4.26Å; F540-F547 HydrophobicContact CB-CD1 4.08Å; F540-F547 HydrophobicContact CB-CD2 3.92Å; F540-F547 HydrophobicContact CB-CE1 4.38Å; F540-F547 HydrophobicContact CB-CE2 4.23Å; F540-F547 HydrophobicContact CB-CG 3.85Å; F540-F547 HydrophobicContact CB-CZ 4.46Å; F540-F547 HydrophobicContact CD1-CB 3.75Å; F540-F547 AromaticContact CD1-CD2 3.53Å; F540-F547 HydrophobicContact CD1-CD2 3.53Å; F540-F547 HydrophobicContact CD1-CE2 4.36Å; F540-F547 AromaticContact CD1-CG 3.84Å; F540-F547 HydrophobicContact CD1-CG 3.84Å; F540-F547 HydrophobicContact CD2-CD2 4.3Å; F540-F547 HydrophobicContact CD2-CE2 4.35Å; F540-F547 HydrophobicContact CE1-CD2 4.05Å; F540-F547 HydrophobicContact CG-CB 4.36Å; F540-F547 AromaticContact CG-CD2 3.67Å; F540-F547 HydrophobicContact CG-CD2 3.67Å; F540-F547 HydrophobicContact CG-CE2 4.08Å; F540-F547 HydrophobicContact CG-CG 4.03Å; F540-M550 HydrophobicContact CE1-SD 3.87Å; F540-M550 HydrophobicContact CZ-SD 4.24Å; F540-L570 HydrophobicContact CD2-CD1 3.76Å; F540-L570 HydrophobicContact CE2-CD1 3.78Å; F540-F574 HydrophobicContact CB-CE1 4.41Å |
| 541 | C | 98.3 | Very high | 97.9 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 11% | 0.108 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -57.8 | -36.9 | 170.8 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | S538 I539 F574 | S538-C541 WeakPolarHBondContact O-CB 3.27Å; S538-C541 PolarHBondContact O-N 2.96Å; I539-C541 PolarHBondContact O-N 3.03Å; C541-F574 HydrophobicContact CB-CD1 4.43Å; C541-F574 HydrophobicContact CB-CD2 3.64Å; C541-F574 HydrophobicContact CB-CE1 4.39Å; C541-F574 HydrophobicContact CB-CE2 3.59Å; C541-F574 HydrophobicContact CB-CG 4.08Å; C541-F574 HydrophobicContact CB-CZ 3.99Å |
| 542 | F | 98.1 | Very high | 97.8 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -13.8 | -178.5 | -49.2 | -71 | 0 | 0 | 0 | 112.7 | Y32 R295 D296 I539 F540 C577 I589 | Y32-F542 HydrophobicContact CE1-CD1 4.3Å; Y32-F542 HydrophobicContact CE1-CE1 4.23Å; Y32-F542 WeakPolarHBondContact OH-CD1 3.3Å; R295-F542 HydrophobicContact CB-CB 4.35Å; R295-F542 HydrophobicContact CB-CD1 4.47Å; R295-F542 HydrophobicContact CB-CD2 3.82Å; R295-F542 HydrophobicContact CB-CE2 4.29Å; R295-F542 HydrophobicContact CB-CG 3.92Å; R295-F542 HydrophobicContact CG-CD2 3.69Å; R295-F542 HydrophobicContact CG-CE1 4.46Å; R295-F542 HydrophobicContact CG-CE2 3.64Å; R295-F542 HydrophobicContact CG-CG 4.15Å; R295-F542 HydrophobicContact CG-CZ 4.06Å; D296-F542 HydrophobicContact CB-CB 4.13Å; I539-F542 HydrophobicContact CD1-CD2 4.35Å; I539-F542 PolarHBondContact O-N 3.42Å; F540-F542 PolarHBondContact O-N 3.4Å; F542-C577 HydrophobicContact CE2-CB 4.01Å; F542-C577 HydrophobicContact CZ-CB 4.32Å; F542-I589 HydrophobicContact CZ-CD1 4.26Å |
| 543 | Y | 97.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 41 | 174.1 | -73.7 | -87.1 | 0 | 0 | 0 | 111.9 | D296 L384 D388 I539 F540 R545 A546 F547 | D296-Y543 WeakPolarHBondContact CA-OH 3.49Å; D296-Y543 HydrophobicContact CB-CD2 4.21Å; D296-Y543 HydrophobicContact CB-CE1 4.29Å; D296-Y543 HydrophobicContact CB-CE2 3.62Å; L384-Y543 HydrophobicContact CD1-CD1 4.19Å; L384-Y543 HydrophobicContact CD1-CG 4.02Å; L384-Y543 HydrophobicContact CD2-CD1 4.37Å; L384-Y543 HydrophobicContact CD2-CD2 3.46Å; L384-Y543 VanDerWaalsContact CD2-CD2 3.46Å; L384-Y543 HydrophobicContact CD2-CE2 4.09Å; L384-Y543 HydrophobicContact CD2-CG 3.61Å; L384-Y543 HydrophobicContact CG-CD1 3.81Å; L384-Y543 HydrophobicContact CG-CD2 3.78Å; L384-Y543 HydrophobicContact CG-CE1 4.25Å; L384-Y543 HydrophobicContact CG-CE2 4.2Å; L384-Y543 HydrophobicContact CG-CG 3.55Å; D388-Y543 HydrophobicContact CB-CE1 4.13Å; D388-Y543 VanDerWaalsContact OD2-CD1 3.24Å; D388-Y543 WeakPolarHBondContact OD2-CD1 3.44Å; D388-Y543 WeakPolarHBondContact OD2-CE1 3.5Å; I539-Y543 HydrophobicContact CD1-CD2 4.17Å; I539-Y543 HydrophobicContact CD1-CE2 3.98Å; I539-Y543 HydrophobicContact CG1-CD2 3.92Å; I539-Y543 HydrophobicContact CG1-CE2 4Å; I539-Y543 PolarHBondContact O-N 2.88Å; F540-Y543 CarbonylContact O-C 3.54Å; F540-Y543 VanDerWaalsContact O-C 3.28Å; F540-Y543 PolarHBondContact O-N 3.01Å; Y543-R545 PolarHBondContact O-N 3.46Å; Y543-R545 VanDerWaalsContact O-N 3.16Å; Y543-A546 PolarHBondContact O-N 3.07Å; Y543-F547 PolarHBondContact O-N 3.37Å |
| 544 | S | 93.9 | Very high | 97.8 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 25% | 0.245 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.4 | -35.1 | -171.7 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | F540 F547 E548 | F540-S544 PolarHBondContact O-N 3.29Å; S544-F547 WeakPolarHBondContact O-CB 3.29Å; S544-F547 PolarHBondContact O-N 3.18Å; S544-E548 WeakPolarHBondContact O-CG 3.27Å; S544-E548 PolarHBondContact O-N 3.32Å |
| 545 | R | 95.6 | Very high | 97.7 | Very high | 219 Ų | 219 | 38 Ų | 38 | 83% | 0.826 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.3 | -44.3 | 174.8 | -173.9 | -178.8 | -177.2 | -176.1 | 2.1 | 112.7 | Y543 F547 K549 | Y543-R545 PolarHBondContact O-N 3.46Å; Y543-R545 VanDerWaalsContact O-N 3.16Å; R545-F547 VanDerWaalsContact C-N 3.33Å; R545-K549 VanDerWaalsContact O-CB 3.31Å; R545-K549 WeakPolarHBondContact O-CB 3.37Å; R545-K549 PolarHBondContact O-N 3Å |
| 546 | A | 96.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.6 | -38.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L384 Y543 K549 M550 | L384-A546 HydrophobicContact CD1-CB 3.78Å; Y543-A546 PolarHBondContact O-N 3.07Å; A546-K549 PolarHBondContact O-N 3.4Å; A546-M550 WeakPolarHBondContact O-CB 3.47Å; A546-M550 VanDerWaalsContact O-CG 3.24Å; A546-M550 WeakPolarHBondContact O-CG 3.46Å; A546-M550 PolarHBondContact O-N 3.47Å |
| 547 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -52.6 | 178.4 | -167.9 | -146.2 | 0 | 0 | 0 | 112.3 | F540 Y543 S544 R545 K549 M550 F551 F567 L570 F574 L596 F600 | F540-F547 HydrophobicContact CB-CB 4.26Å; F540-F547 HydrophobicContact CB-CD1 4.08Å; F540-F547 HydrophobicContact CB-CD2 3.92Å; F540-F547 HydrophobicContact CB-CE1 4.38Å; F540-F547 HydrophobicContact CB-CE2 4.23Å; F540-F547 HydrophobicContact CB-CG 3.85Å; F540-F547 HydrophobicContact CB-CZ 4.46Å; F540-F547 HydrophobicContact CD1-CB 3.75Å; F540-F547 AromaticContact CD1-CD2 3.53Å; F540-F547 HydrophobicContact CD1-CD2 3.53Å; F540-F547 HydrophobicContact CD1-CE2 4.36Å; F540-F547 AromaticContact CD1-CG 3.84Å; F540-F547 HydrophobicContact CD1-CG 3.84Å; F540-F547 HydrophobicContact CD2-CD2 4.3Å; F540-F547 HydrophobicContact CD2-CE2 4.35Å; F540-F547 HydrophobicContact CE1-CD2 4.05Å; F540-F547 HydrophobicContact CG-CB 4.36Å; F540-F547 AromaticContact CG-CD2 3.67Å; F540-F547 HydrophobicContact CG-CD2 3.67Å; F540-F547 HydrophobicContact CG-CE2 4.08Å; F540-F547 HydrophobicContact CG-CG 4.03Å; Y543-F547 PolarHBondContact O-N 3.37Å; S544-F547 WeakPolarHBondContact O-CB 3.29Å; S544-F547 PolarHBondContact O-N 3.18Å; R545-F547 VanDerWaalsContact C-N 3.33Å; F547-K549 VanDerWaalsContact C-N 3.33Å; F547-K549 PolarHBondContact O-N 3.05Å; F547-M550 PolarHBondContact O-N 2.88Å; F547-F551 PolarHBondContact O-N 3.38Å; F547-F551 VanDerWaalsContact O-N 3.07Å; F547-F567 AromaticContact CD2-CD1 3.71Å; F547-F567 HydrophobicContact CD2-CD1 3.71Å; F547-F567 HydrophobicContact CD2-CE1 4.16Å; F547-F567 HydrophobicContact CE2-CB 4.27Å; F547-F567 AromaticContact CE2-CD1 3.42Å; F547-F567 HydrophobicContact CE2-CD1 3.42Å; F547-F567 VanDerWaalsContact CE2-CD1 3.42Å; F547-F567 HydrophobicContact CE2-CE1 4.21Å; F547-F567 HydrophobicContact CE2-CG 4.27Å; F547-F567 HydrophobicContact CZ-CB 4.37Å; F547-F567 HydrophobicContact CZ-CD1 4.28Å; F547-F567 WeakPolarHBondContact CZ-O 3.28Å; F547-L570 HydrophobicContact CE2-CB 4.26Å; F547-L570 HydrophobicContact CE2-CD1 3.89Å; F547-L570 HydrophobicContact CZ-CB 3.95Å; F547-L570 HydrophobicContact CZ-CD1 4.41Å; F547-F574 HydrophobicContact CD1-CZ 4.28Å; F547-F574 HydrophobicContact CE1-CE1 4.22Å; F547-F574 AromaticContact CE1-CZ 3.86Å; F547-F574 HydrophobicContact CE1-CZ 3.86Å; F547-L596 HydrophobicContact CD1-CD1 4.09Å; F547-L596 HydrophobicContact CE1-CD1 4.23Å; F547-F600 HydrophobicContact CD1-CE2 4.06Å; F547-F600 AromaticContact CD1-CZ 3.8Å; F547-F600 HydrophobicContact CD1-CZ 3.8Å; F547-F600 AromaticContact CE1-CE2 3.43Å; F547-F600 HydrophobicContact CE1-CE2 3.43Å; F547-F600 VanDerWaalsContact CE1-CE2 3.43Å; F547-F600 AromaticContact CE1-CZ 3.67Å; F547-F600 HydrophobicContact CE1-CZ 3.67Å; F547-F600 HydrophobicContact CE2-CE2 4.49Å; F547-F600 HydrophobicContact CG-CZ 4.29Å; F547-F600 AromaticContact CZ-CE2 3.67Å; F547-F600 HydrophobicContact CZ-CE2 3.67Å; F547-F600 HydrophobicContact CZ-CZ 4.03Å |
| 548 | E | 98 | Very high | 97.2 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 177.2 | -67.5 | 173.8 | -153 | 0 | 0 | 111.9 | S544 F551 Q552 R592 L596 M599 | S544-E548 WeakPolarHBondContact O-CG 3.27Å; S544-E548 PolarHBondContact O-N 3.32Å; E548-F551 WeakPolarHBondContact O-CB 3.37Å; E548-F551 PolarHBondContact O-N 3.07Å; E548-Q552 WeakPolarHBondContact O-CG 3.32Å; E548-Q552 PolarHBondContact O-N 3.2Å; E548-R592 IonicContact OE1-CZ 3.26Å; E548-R592 IonicContact OE1-NH2 3.85Å; E548-R592 PolarHBondContact OE1-NH2 3.15Å; E548-L596 HydrophobicContact CG-CD2 4Å; E548-L596 WeakPolarHBondContact OE1-CD2 3.41Å; E548-M599 HydrophobicContact CG-CE 3.9Å |
| 549 | K | 97.3 | Very high | 97 | Very high | 129 Ų | 129 | 51.9 Ų | 51.9 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66 | -41 | 177.2 | -176.9 | 177.3 | -179.8 | 178.4 | 0 | 112.7 | R545 A546 F547 F551 Q552 Q553 | R545-K549 VanDerWaalsContact O-CB 3.31Å; R545-K549 WeakPolarHBondContact O-CB 3.37Å; R545-K549 PolarHBondContact O-N 3Å; A546-K549 PolarHBondContact O-N 3.4Å; F547-K549 VanDerWaalsContact C-N 3.33Å; F547-K549 PolarHBondContact O-N 3.05Å; K549-F551 VanDerWaalsContact C-N 3.28Å; K549-Q552 PolarHBondContact O-N 3.48Å; K549-Q553 WeakPolarHBondContact O-CB 3.13Å; K549-Q553 PolarHBondContact O-N 3.36Å; K549-Q553 VanDerWaalsContact O-N 3.07Å |
| 550 | M | 98.3 | Very high | 97 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 15% | 0.148 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 175.4 | -73.8 | 175.2 | -179.1 | 0 | 0 | 111 | L384 I403 F540 A546 F547 C554 F567 | L384-M550 HydrophobicContact CD1-CE 4.14Å; I403-M550 HydrophobicContact CG1-SD 4.46Å; I403-M550 HydrophobicContact CG2-CB 4.16Å; I403-M550 HydrophobicContact CG2-CG 4.03Å; I403-M550 HydrophobicContact CG2-SD 3.96Å; F540-M550 HydrophobicContact CE1-SD 3.87Å; F540-M550 HydrophobicContact CZ-SD 4.24Å; A546-M550 WeakPolarHBondContact O-CB 3.47Å; A546-M550 VanDerWaalsContact O-CG 3.24Å; A546-M550 WeakPolarHBondContact O-CG 3.46Å; A546-M550 PolarHBondContact O-N 3.47Å; F547-M550 PolarHBondContact O-N 2.88Å; M550-C554 WeakPolarHBondContact O-CB 3.3Å; M550-C554 PolarHBondContact O-N 3.09Å; M550-F567 HydrophobicContact CB-CE1 3.7Å; M550-F567 HydrophobicContact CB-CZ 3.95Å |
| 551 | F | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 173.8 | 171.2 | -102.9 | 0 | 0 | 0 | 112.5 | F547 E548 K549 Q553 C554 L555 F567 M599 F600 E603 M604 | F547-F551 PolarHBondContact O-N 3.38Å; F547-F551 VanDerWaalsContact O-N 3.07Å; E548-F551 WeakPolarHBondContact O-CB 3.37Å; E548-F551 PolarHBondContact O-N 3.07Å; K549-F551 VanDerWaalsContact C-N 3.28Å; F551-Q553 VanDerWaalsContact C-N 3.34Å; F551-Q553 PolarHBondContact O-N 2.99Å; F551-C554 VanDerWaalsContact O-CB 3.29Å; F551-C554 WeakPolarHBondContact O-CB 3.47Å; F551-C554 PolarHBondContact O-N 3.03Å; F551-C554 VanDerWaalsContact O-N 3.09Å; F551-L555 HydrophobicContact CD1-CD1 4.34Å; F551-L555 HydrophobicContact CE1-CD1 3.51Å; F551-L555 HydrophobicContact CE1-CG 4.22Å; F551-L555 HydrophobicContact CE2-CD1 4.02Å; F551-L555 HydrophobicContact CE2-CD2 4.4Å; F551-L555 HydrophobicContact CE2-CG 4.04Å; F551-L555 HydrophobicContact CZ-CD1 3.33Å; F551-L555 HydrophobicContact CZ-CD2 4.44Å; F551-L555 HydrophobicContact CZ-CG 3.88Å; F551-L555 PolarHBondContact O-N 3.41Å; F551-F567 HydrophobicContact CB-CD1 3.81Å; F551-F567 HydrophobicContact CB-CD2 4.26Å; F551-F567 HydrophobicContact CB-CE1 4.02Å; F551-F567 HydrophobicContact CB-CE2 4.42Å; F551-F567 HydrophobicContact CB-CG 3.97Å; F551-F567 HydrophobicContact CB-CZ 4.32Å; F551-F567 HydrophobicContact CD2-CB 3.93Å; F551-F567 AromaticContact CD2-CD2 3.78Å; F551-F567 HydrophobicContact CD2-CD2 3.78Å; F551-F567 HydrophobicContact CD2-CE2 4.44Å; F551-F567 AromaticContact CD2-CG 3.85Å; F551-F567 HydrophobicContact CD2-CG 3.85Å; F551-F567 HydrophobicContact CG-CG 4.39Å; F551-M599 HydrophobicContact CE1-SD 4.47Å; F551-F600 HydrophobicContact CB-CD1 4.04Å; F551-F600 HydrophobicContact CB-CE1 3.62Å; F551-F600 HydrophobicContact CB-CZ 4.43Å; F551-F600 AromaticContact CD1-CD1 3.46Å; F551-F600 HydrophobicContact CD1-CD1 3.46Å; F551-F600 VanDerWaalsContact CD1-CD1 3.46Å; F551-F600 AromaticContact CD1-CE1 3.72Å; F551-F600 HydrophobicContact CD1-CE1 3.72Å; F551-F600 HydrophobicContact CD2-CB 4.48Å; F551-F600 AromaticContact CD2-CD1 3.61Å; F551-F600 HydrophobicContact CD2-CD1 3.61Å; F551-F600 HydrophobicContact CD2-CE1 4.07Å; F551-F600 HydrophobicContact CD2-CG 4.22Å; F551-F600 AromaticContact CE1-CD1 3.66Å; F551-F600 HydrophobicContact CE1-CD1 3.66Å; F551-F600 HydrophobicContact CE1-CE1 4.37Å; F551-F600 HydrophobicContact CE2-CB 3.98Å; F551-F600 AromaticContact CE2-CD1 3.8Å; F551-F600 HydrophobicContact CE2-CD1 3.8Å; F551-F600 HydrophobicContact CE2-CG 4.19Å; F551-F600 AromaticContact CG-CD1 3.41Å; F551-F600 HydrophobicContact CG-CD1 3.41Å; F551-F600 VanDerWaalsContact CG-CD1 3.41Å; F551-F600 AromaticContact CG-CE1 3.53Å; F551-F600 HydrophobicContact CG-CE1 3.53Å; F551-F600 HydrophobicContact CG-CG 4.42Å; F551-F600 HydrophobicContact CZ-CB 4.05Å; F551-F600 AromaticContact CZ-CD1 3.8Å; F551-F600 HydrophobicContact CZ-CD1 3.8Å; F551-F600 HydrophobicContact CZ-CG 4.36Å; F551-F600 WeakPolarHBondContact CZ-O 3.35Å; F551-E603 HydrophobicContact CE1-CB 3.78Å; F551-E603 HydrophobicContact CE1-CG 4.46Å; F551-E603 HydrophobicContact CZ-CB 3.94Å; F551-M604 HydrophobicContact CE2-CG 3.95Å; F551-M604 HydrophobicContact CE2-SD 4.3Å; F551-M604 HydrophobicContact CZ-CG 4.03Å |
| 552 | Q | 97.3 | Very high | 97 | Very high | 110 Ų | 110 | 53.8 Ų | 53.8 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.1 | -47 | 177.1 | -72.6 | 172.3 | -6.5 | 0 | 0 | 111.6 | E548 K549 C554 L555 E556 | E548-Q552 WeakPolarHBondContact O-CG 3.32Å; E548-Q552 PolarHBondContact O-N 3.2Å; K549-Q552 PolarHBondContact O-N 3.48Å; Q552-C554 PolarHBondContact O-N 3.3Å; Q552-L555 PolarHBondContact O-N 3.15Å; Q552-E556 WeakPolarHBondContact O-CG 3.17Å; Q552-E556 PolarHBondContact O-N 3.28Å |
| 553 | Q | 96.3 | Very high | 97 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -33.8 | 176.4 | 175.3 | 161.5 | 70.8 | 0 | 0 | 112.9 | K401 K549 F551 | K401-Q553 HydrophobicContact CB-CG 4.27Å; K401-Q553 HydrophobicContact CG-CG 4.44Å; K549-Q553 WeakPolarHBondContact O-CB 3.13Å; K549-Q553 PolarHBondContact O-N 3.36Å; K549-Q553 VanDerWaalsContact O-N 3.07Å; F551-Q553 VanDerWaalsContact C-N 3.34Å; F551-Q553 PolarHBondContact O-N 2.99Å |
| 554 | C | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -46.7 | 174.9 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | A404 M550 F551 Q552 E556 L557 Q560 S561 F567 | A404-C554 HydrophobicContact CB-CB 4.09Å; A404-C554 VanDerWaalsContact CB-SG 3.53Å; M550-C554 WeakPolarHBondContact O-CB 3.3Å; M550-C554 PolarHBondContact O-N 3.09Å; F551-C554 VanDerWaalsContact O-CB 3.29Å; F551-C554 WeakPolarHBondContact O-CB 3.47Å; F551-C554 PolarHBondContact O-N 3.03Å; F551-C554 VanDerWaalsContact O-N 3.09Å; Q552-C554 PolarHBondContact O-N 3.3Å; C554-E556 PolarHBondContact O-N 3.41Å; C554-L557 PolarHBondContact O-N 3.42Å; C554-L557 VanDerWaalsContact O-O 3.12Å; C554-Q560 VanDerWaalsContact SG-C 3.56Å; C554-Q560 PolarHBondContact SG-O 2.99Å; C554-S561 WeakPolarHBondContact O-CA 3.13Å; C554-S561 PolarHBondContact O-N 3.03Å; C554-S561 VanDerWaalsContact O-N 3.14Å; C554-F567 HydrophobicContact CB-CE2 3.79Å; C554-F567 HydrophobicContact CB-CZ 4.26Å |
| 555 | L | 96.7 | Very high | 97.3 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -35.6 | 179.2 | -75.4 | -172.6 | 0 | 0 | 0 | 113.5 | F551 Q552 L557 E603 M604 L683 | F551-L555 HydrophobicContact CD1-CD1 4.34Å; F551-L555 HydrophobicContact CE1-CD1 3.51Å; F551-L555 HydrophobicContact CE1-CG 4.22Å; F551-L555 HydrophobicContact CE2-CD1 4.02Å; F551-L555 HydrophobicContact CE2-CD2 4.4Å; F551-L555 HydrophobicContact CE2-CG 4.04Å; F551-L555 HydrophobicContact CZ-CD1 3.33Å; F551-L555 HydrophobicContact CZ-CD2 4.44Å; F551-L555 HydrophobicContact CZ-CG 3.88Å; F551-L555 PolarHBondContact O-N 3.41Å; Q552-L555 PolarHBondContact O-N 3.15Å; L555-L557 VanDerWaalsContact C-N 3.27Å; L555-L557 PolarHBondContact O-N 2.66Å; L555-E603 HydrophobicContact CD1-CB 4.29Å; L555-M604 HydrophobicContact CD2-CG 4.06Å; L555-L683 HydrophobicContact CD2-CD1 3.77Å |
| 556 | E | 94.1 | Very high | 97.4 | Very high | 153 Ų | 153 | 39.7 Ų | 39.7 | 72% | 0.715 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -69.5 | -22.5 | 179.5 | -73 | 173.8 | -174.7 | 0 | 0 | 113.5 | Q552 C554 P558 | Q552-E556 WeakPolarHBondContact O-CG 3.17Å; Q552-E556 PolarHBondContact O-N 3.28Å; C554-E556 PolarHBondContact O-N 3.41Å; E556-P558 WeakPolarHBondContact O-CD 3.24Å |
| 557 | L | 96.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.288 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -106 | 108.1 | -177.4 | -178.2 | 60.5 | 0 | 0 | 0 | 110.5 | C554 L555 S559 Q560 S561 | C554-L557 PolarHBondContact O-N 3.42Å; C554-L557 VanDerWaalsContact O-O 3.12Å; L555-L557 VanDerWaalsContact C-N 3.27Å; L555-L557 PolarHBondContact O-N 2.66Å; L557-S559 VanDerWaalsContact C-N 3.3Å; L557-S559 PolarHBondContact O-N 3.48Å; L557-S559 VanDerWaalsContact O-N 3.12Å; L557-Q560 HydrophobicContact CB-CB 4.27Å; L557-Q560 HydrophobicContact CD2-CB 4.18Å; L557-Q560 HydrophobicContact CD2-CG 3.61Å; L557-Q560 HydrophobicContact CG-CB 4.27Å; L557-Q560 HydrophobicContact CG-CG 4.15Å; L557-Q560 CarbonylContact O-C 3.45Å; L557-Q560 WeakPolarHBondContact O-CA 3.47Å; L557-Q560 PolarHBondContact O-N 3.35Å; L557-S561 PolarHBondContact O-N 2.7Å |
| 558 | P | 95 | Very high | 97.6 | Very high | 53 Ų | 53 | 39 Ų | 39 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.7 | -37.8 | -173.3 | -31.3 | 37.1 | 0 | 0 | 0 | 115.3 | E556 Q560 S561 A679 E682 | E556-P558 WeakPolarHBondContact O-CD 3.24Å; P558-Q560 PolarHBondContact O-N 3.28Å; P558-S561 PolarHBondContact O-OG 3.05Å; P558-A679 HydrophobicContact CB-CB 4.06Å; P558-A679 HydrophobicContact CG-CB 4.03Å; P558-E682 VanDerWaalsContact O-CB 3.29Å; P558-E682 WeakPolarHBondContact O-CB 3.31Å; P558-E682 WeakPolarHBondContact O-CG 3.39Å |
| 559 | S | 95.5 | Very high | 97.6 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 46% | 0.462 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.5 | -15.6 | 178.7 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | L557 | L557-S559 VanDerWaalsContact C-N 3.3Å; L557-S559 PolarHBondContact O-N 3.48Å; L557-S559 VanDerWaalsContact O-N 3.12Å |
| 560 | Q | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -105.7 | -25.8 | 177.2 | -69 | -63.1 | -64.3 | 0 | 0 | 112.3 | H402 E405 C554 L557 P558 R562 H563 | H402-Q560 VanDerWaalsContact CA-OE1 3.26Å; E405-Q560 PolarHBondContact OE2-NE2 3.15Å; C554-Q560 VanDerWaalsContact SG-C 3.56Å; C554-Q560 PolarHBondContact SG-O 2.99Å; L557-Q560 HydrophobicContact CB-CB 4.27Å; L557-Q560 HydrophobicContact CD2-CB 4.18Å; L557-Q560 HydrophobicContact CD2-CG 3.61Å; L557-Q560 HydrophobicContact CG-CB 4.27Å; L557-Q560 HydrophobicContact CG-CG 4.15Å; L557-Q560 CarbonylContact O-C 3.45Å; L557-Q560 WeakPolarHBondContact O-CA 3.47Å; L557-Q560 PolarHBondContact O-N 3.35Å; P558-Q560 PolarHBondContact O-N 3.28Å; Q560-R562 PolarHBondContact O-N 3.37Å; Q560-H563 WeakPolarHBondContact O-CB 3.32Å; Q560-H563 PolarHBondContact O-N 3.06Å |
| 561 | S | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.4 | -24.7 | 175.6 | 71.1 | 0 | 0 | 0 | 0 | 112.5 | C554 L557 P558 H563 S564 S686 | C554-S561 WeakPolarHBondContact O-CA 3.13Å; C554-S561 PolarHBondContact O-N 3.03Å; C554-S561 VanDerWaalsContact O-N 3.14Å; L557-S561 PolarHBondContact O-N 2.7Å; P558-S561 PolarHBondContact O-OG 3.05Å; S561-H563 PolarHBondContact O-N 3.18Å; S561-H563 VanDerWaalsContact O-N 3.15Å; S561-S564 VanDerWaalsContact O-CB 3.29Å; S561-S564 WeakPolarHBondContact O-CB 3.18Å; S561-S564 PolarHBondContact O-N 2.97Å; S561-S564 VanDerWaalsContact O-N 3.11Å; S561-S564 PolarHBondContact O-OG 3.33Å; S561-S686 WeakPolarHBondContact O-CB 3.36Å |
| 562 | R | 98.5 | Very high | 97.6 | Very high | 77 Ų | 77 | 31.8 Ų | 31.8 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -35.8 | 165.1 | -168.9 | -177.8 | -175.9 | 73.7 | 6.9 | 114.7 | Q560 E682 F685 S686 | Q560-R562 PolarHBondContact O-N 3.37Å; R562-E682 VanDerWaalsContact CA-O 3.3Å; R562-E682 WeakPolarHBondContact CA-O 3.35Å; R562-E682 HydrophobicContact CB-CB 4.21Å; R562-E682 WeakPolarHBondContact CB-OE2 3.48Å; R562-E682 WeakPolarHBondContact CD-OE2 3.38Å; R562-E682 VanDerWaalsContact CG-OE2 3.24Å; R562-E682 WeakPolarHBondContact CG-OE2 3.34Å; R562-E682 IonicContact CZ-OE2 3.26Å; R562-E682 IonicContact NE-OE2 3.1Å; R562-E682 IonicContact NH1-OE2 2.73Å; R562-E682 PolarHBondContact NH1-OE2 2.64Å; R562-F685 HydrophobicContact CG-CD1 3.44Å; R562-F685 VanDerWaalsContact CG-CD1 3.44Å; R562-F685 HydrophobicContact CG-CE1 3.94Å; R562-F685 HydrophobicContact CG-CG 4.21Å; R562-F685 WeakPolarHBondContact O-CD1 3.45Å; R562-S686 WeakPolarHBondContact O-CB 3.46Å |
| 563 | H | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 4.8 | -173.1 | -60 | -56.1 | 0 | 0 | 0 | 112.8 | A404 F408 Q560 S561 I565 C566 | A404-H563 HydrophobicContact CB-CB 4.02Å; F408-H563 HydrophobicContact CB-CB 3.82Å; F408-H563 AromaticContact CD1-CE1 3.78Å; F408-H563 AromaticContact CD1-ND1 3.22Å; F408-H563 WeakPolarHBondContact CD1-ND1 3.23Å; F408-H563 HydrophobicContact CD2-CB 4.38Å; F408-H563 AromaticContact CD2-ND1 3.89Å; F408-H563 AromaticContact CE1-ND1 3.78Å; F408-H563 HydrophobicContact CG-CB 4.12Å; F408-H563 AromaticContact CG-ND1 3.29Å; F408-H563 VanDerWaalsContact CG-ND1 3.29Å; F408-H563 WeakPolarHBondContact CG-ND1 3.31Å; Q560-H563 WeakPolarHBondContact O-CB 3.32Å; Q560-H563 PolarHBondContact O-N 3.06Å; S561-H563 PolarHBondContact O-N 3.18Å; S561-H563 VanDerWaalsContact O-N 3.15Å; H563-I565 PolarHBondContact O-N 3.02Å; H563-I565 VanDerWaalsContact O-N 3.09Å; H563-C566 WeakPolarHBondContact O-CB 3.33Å; H563-C566 PolarHBondContact O-N 3.2Å; H563-C566 PolarHBondContact O-SG 3.28Å |
| 564 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23.7 | -174.1 | 52.3 | 0 | 0 | 0 | 0 | 115 | S561 C566 F567 P568 M604 S686 | S561-S564 VanDerWaalsContact O-CB 3.29Å; S561-S564 WeakPolarHBondContact O-CB 3.18Å; S561-S564 PolarHBondContact O-N 2.97Å; S561-S564 VanDerWaalsContact O-N 3.11Å; S561-S564 PolarHBondContact O-OG 3.33Å; S564-C566 PolarHBondContact O-N 3.18Å; S564-F567 WeakPolarHBondContact O-CD2 3.34Å; S564-F567 PolarHBondContact O-N 3.38Å; S564-P568 WeakPolarHBondContact O-CD 3.31Å; S564-M604 WeakPolarHBondContact OG-CE 3.36Å; S564-S686 PolarHBondContact N-OG 3.02Å; S564-S686 WeakPolarHBondContact OG-CB 3.41Å; S564-S686 PolarHBondContact OG-OG 3.4Å |
| 565 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.9 | 177.7 | -168 | 58.6 | 0 | 0 | 0 | 112.3 | F408 H563 F567 P568 L569 L601 M604 S686 Y689 V690 P702 | F408-I565 HydrophobicContact CD2-CG2 3.92Å; F408-I565 HydrophobicContact CE2-CG2 3.78Å; H563-I565 PolarHBondContact O-N 3.02Å; H563-I565 VanDerWaalsContact O-N 3.09Å; I565-F567 PolarHBondContact O-N 3.45Å; I565-P568 HydrophobicContact CD1-CB 4.39Å; I565-P568 HydrophobicContact CD1-CG 4.23Å; I565-P568 VanDerWaalsContact O-CD 3.31Å; I565-P568 WeakPolarHBondContact O-CD 3.31Å; I565-L569 HydrophobicContact CG1-CD1 4.26Å; I565-L569 HydrophobicContact CG1-CG 4.35Å; I565-L569 HydrophobicContact CG2-CD1 4.46Å; I565-L569 VanDerWaalsContact O-CG 3.28Å; I565-L569 WeakPolarHBondContact O-CG 3.32Å; I565-L569 PolarHBondContact O-N 3.41Å; I565-L569 VanDerWaalsContact O-N 3.15Å; I565-L601 HydrophobicContact CD1-CD2 4.15Å; I565-M604 HydrophobicContact CB-CE 4.33Å; I565-M604 HydrophobicContact CD1-CE 4.3Å; I565-S686 WeakPolarHBondContact CB-O 3.41Å; I565-S686 VanDerWaalsContact CB-OG 3.31Å; I565-S686 WeakPolarHBondContact CB-OG 3.25Å; I565-S686 PolarHBondContact N-OG 2.98Å; I565-Y689 HydrophobicContact CG1-CD1 4.2Å; I565-Y689 HydrophobicContact CG2-CD1 3.72Å; I565-Y689 HydrophobicContact CG2-CE1 4.44Å; I565-Y689 HydrophobicContact CG2-CG 4.04Å; I565-V690 HydrophobicContact CD1-CG1 4.26Å; I565-V690 HydrophobicContact CG1-CG1 4.18Å; I565-P702 HydrophobicContact CD1-CG 4.15Å |
| 566 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -30.7 | 176.7 | 78 | 0 | 0 | 0 | 0 | 112.2 | I407 F408 H563 S564 L569 L570 | I407-C566 HydrophobicContact CB-CB 4.23Å; I407-C566 HydrophobicContact CG2-CB 3.77Å; F408-C566 HydrophobicContact CB-CB 4.08Å; H563-C566 WeakPolarHBondContact O-CB 3.33Å; H563-C566 PolarHBondContact O-N 3.2Å; H563-C566 PolarHBondContact O-SG 3.28Å; S564-C566 PolarHBondContact O-N 3.18Å; C566-L569 PolarHBondContact O-N 3.24Å; C566-L570 VanDerWaalsContact O-CG 3.31Å; C566-L570 WeakPolarHBondContact O-CG 3.4Å; C566-L570 PolarHBondContact O-N 2.95Å |
| 567 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.4 | -51 | -179.3 | -64 | -92 | 0 | 0 | 0 | 112.4 | A404 F547 M550 F551 C554 S564 I565 L569 L570 C571 F600 | A404-F567 HydrophobicContact CB-CE2 3.77Å; A404-F567 HydrophobicContact CB-CZ 4.16Å; F547-F567 AromaticContact CD2-CD1 3.71Å; F547-F567 HydrophobicContact CD2-CD1 3.71Å; F547-F567 HydrophobicContact CD2-CE1 4.16Å; F547-F567 HydrophobicContact CE2-CB 4.27Å; F547-F567 AromaticContact CE2-CD1 3.42Å; F547-F567 HydrophobicContact CE2-CD1 3.42Å; F547-F567 VanDerWaalsContact CE2-CD1 3.42Å; F547-F567 HydrophobicContact CE2-CE1 4.21Å; F547-F567 HydrophobicContact CE2-CG 4.27Å; F547-F567 HydrophobicContact CZ-CB 4.37Å; F547-F567 HydrophobicContact CZ-CD1 4.28Å; F547-F567 WeakPolarHBondContact CZ-O 3.28Å; M550-F567 HydrophobicContact CB-CE1 3.7Å; M550-F567 HydrophobicContact CB-CZ 3.95Å; F551-F567 HydrophobicContact CB-CD1 3.81Å; F551-F567 HydrophobicContact CB-CD2 4.26Å; F551-F567 HydrophobicContact CB-CE1 4.02Å; F551-F567 HydrophobicContact CB-CE2 4.42Å; F551-F567 HydrophobicContact CB-CG 3.97Å; F551-F567 HydrophobicContact CB-CZ 4.32Å; F551-F567 HydrophobicContact CD2-CB 3.93Å; F551-F567 AromaticContact CD2-CD2 3.78Å; F551-F567 HydrophobicContact CD2-CD2 3.78Å; F551-F567 HydrophobicContact CD2-CE2 4.44Å; F551-F567 AromaticContact CD2-CG 3.85Å; F551-F567 HydrophobicContact CD2-CG 3.85Å; F551-F567 HydrophobicContact CG-CG 4.39Å; C554-F567 HydrophobicContact CB-CE2 3.79Å; C554-F567 HydrophobicContact CB-CZ 4.26Å; S564-F567 WeakPolarHBondContact O-CD2 3.34Å; S564-F567 PolarHBondContact O-N 3.38Å; I565-F567 PolarHBondContact O-N 3.45Å; F567-L569 VanDerWaalsContact C-N 3.31Å; F567-L569 PolarHBondContact O-N 3.36Å; F567-L570 PolarHBondContact O-N 3.08Å; F567-C571 PolarHBondContact O-N 3.2Å; F567-F600 HydrophobicContact CB-CD1 4.47Å; F567-F600 HydrophobicContact CB-CD2 3.92Å; F567-F600 HydrophobicContact CB-CE1 4.49Å; F567-F600 HydrophobicContact CB-CE2 3.96Å; F567-F600 HydrophobicContact CB-CG 4.19Å; F567-F600 HydrophobicContact CB-CZ 4.25Å |
| 568 | P | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.5 | -42.4 | 167.7 | -24.7 | 28.1 | 0 | 0 | 0 | 113.8 | S564 I565 L570 C571 F600 L601 M604 L693 | S564-P568 WeakPolarHBondContact O-CD 3.31Å; I565-P568 HydrophobicContact CD1-CB 4.39Å; I565-P568 HydrophobicContact CD1-CG 4.23Å; I565-P568 VanDerWaalsContact O-CD 3.31Å; I565-P568 WeakPolarHBondContact O-CD 3.31Å; P568-L570 VanDerWaalsContact C-N 3.32Å; P568-L570 PolarHBondContact O-N 3.41Å; P568-C571 VanDerWaalsContact O-CB 3.25Å; P568-C571 WeakPolarHBondContact O-CB 3.28Å; P568-C571 PolarHBondContact O-N 2.9Å; P568-C571 VanDerWaalsContact O-N 3.08Å; P568-F600 HydrophobicContact CG-CB 3.69Å; P568-L601 HydrophobicContact CB-CD2 3.96Å; P568-L601 HydrophobicContact CB-CG 4.24Å; P568-L601 HydrophobicContact CG-CD2 3.67Å; P568-L601 HydrophobicContact CG-CG 4.11Å; P568-M604 HydrophobicContact CG-SD 4.13Å; P568-L693 HydrophobicContact CB-CD1 4.14Å; P568-L693 HydrophobicContact CB-CD2 4.49Å; P568-L693 VanDerWaalsContact O-CD1 3.31Å; P568-L693 WeakPolarHBondContact O-CD1 3.4Å |
| 569 | L | 98.7 | Very high | 98.2 | Very high | 25 Ų | 25 | 18.4 Ų | 18.4 | 13% | 0.131 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 179.9 | -71.3 | 170.9 | 0 | 0 | 0 | 112.1 | E411 I565 C566 F567 C571 A572 Y689 L693 | E411-L569 HydrophobicContact CB-CD1 4.07Å; E411-L569 HydrophobicContact CG-CB 4.12Å; E411-L569 HydrophobicContact CG-CD1 4.18Å; I565-L569 HydrophobicContact CG1-CD1 4.26Å; I565-L569 HydrophobicContact CG1-CG 4.35Å; I565-L569 HydrophobicContact CG2-CD1 4.46Å; I565-L569 VanDerWaalsContact O-CG 3.28Å; I565-L569 WeakPolarHBondContact O-CG 3.32Å; I565-L569 PolarHBondContact O-N 3.41Å; I565-L569 VanDerWaalsContact O-N 3.15Å; C566-L569 PolarHBondContact O-N 3.24Å; F567-L569 VanDerWaalsContact C-N 3.31Å; F567-L569 PolarHBondContact O-N 3.36Å; L569-C571 PolarHBondContact O-N 2.99Å; L569-A572 VanDerWaalsContact O-CB 3.31Å; L569-A572 WeakPolarHBondContact O-CB 3.37Å; L569-A572 PolarHBondContact O-N 2.9Å; L569-A572 VanDerWaalsContact O-N 3.09Å; L569-Y689 HydrophobicContact CD1-CE1 4.2Å; L569-L693 HydrophobicContact CD2-CB 4.14Å; L569-L693 HydrophobicContact CD2-CD1 4.35Å |
| 570 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -23 | 175.9 | -76.2 | -173.2 | 0 | 0 | 0 | 113.6 | I407 L537 F540 F547 C566 F567 P568 A572 H573 F574 | I407-L570 HydrophobicContact CD1-CD1 4.1Å; I407-L570 HydrophobicContact CG2-CD1 3.53Å; I407-L570 HydrophobicContact CG2-CD2 3.99Å; I407-L570 HydrophobicContact CG2-CG 3.77Å; L537-L570 HydrophobicContact CB-CD2 3.85Å; L537-L570 HydrophobicContact CD1-CD1 4.37Å; L537-L570 HydrophobicContact CD1-CD2 3.84Å; L537-L570 HydrophobicContact CG-CD2 4.48Å; F540-L570 HydrophobicContact CD2-CD1 3.76Å; F540-L570 HydrophobicContact CE2-CD1 3.78Å; F547-L570 HydrophobicContact CE2-CB 4.26Å; F547-L570 HydrophobicContact CE2-CD1 3.89Å; F547-L570 HydrophobicContact CZ-CB 3.95Å; F547-L570 HydrophobicContact CZ-CD1 4.41Å; C566-L570 VanDerWaalsContact O-CG 3.31Å; C566-L570 WeakPolarHBondContact O-CG 3.4Å; C566-L570 PolarHBondContact O-N 2.95Å; F567-L570 PolarHBondContact O-N 3.08Å; P568-L570 VanDerWaalsContact C-N 3.32Å; P568-L570 PolarHBondContact O-N 3.41Å; L570-A572 PolarHBondContact O-N 2.98Å; L570-H573 VanDerWaalsContact CD2-CE1 3.46Å; L570-H573 WeakPolarHBondContact CD2-CE1 3.42Å; L570-H573 VanDerWaalsContact O-CB 3.24Å; L570-H573 WeakPolarHBondContact O-CB 3.38Å; L570-H573 PolarHBondContact O-N 2.85Å; L570-F574 WeakPolarHBondContact O-CD1 3.41Å |
| 571 | C | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.3 | -29.1 | 173.9 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | F567 P568 L569 H573 F574 C597 V695 | F567-C571 PolarHBondContact O-N 3.2Å; P568-C571 VanDerWaalsContact O-CB 3.25Å; P568-C571 WeakPolarHBondContact O-CB 3.28Å; P568-C571 PolarHBondContact O-N 2.9Å; P568-C571 VanDerWaalsContact O-N 3.08Å; L569-C571 PolarHBondContact O-N 2.99Å; C571-H573 PolarHBondContact O-N 2.79Å; C571-H573 VanDerWaalsContact O-N 3.17Å; C571-F574 WeakPolarHBondContact O-CB 3.36Å; C571-F574 PolarHBondContact O-N 3.46Å; C571-C597 HydrophobicContact CB-CB 3.93Å; C571-V695 HydrophobicContact CB-CG1 4.03Å; C571-V695 HydrophobicContact CB-CG2 4.2Å |
| 572 | A | 97.8 | Very high | 98.2 | Very high | 44 Ų | 44 | 24.3 Ų | 24.3 | 36% | 0.364 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L569 L570 F574 V695 | L569-A572 VanDerWaalsContact O-CB 3.31Å; L569-A572 WeakPolarHBondContact O-CB 3.37Å; L569-A572 PolarHBondContact O-N 2.9Å; L569-A572 VanDerWaalsContact O-N 3.09Å; L570-A572 PolarHBondContact O-N 2.98Å; A572-F574 VanDerWaalsContact C-N 3.34Å; A572-V695 HydrophobicContact CB-CG2 4.33Å |
| 573 | H | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22 | -178.7 | -66 | -157.4 | 0 | 0 | 0 | 112 | E411 R414 D536 L537 S538 L570 C571 M575 S576 | E411-H573 IonicContact OE1-CE1 3.88Å; E411-H573 PolarHBondContact OE1-CE1 3.45Å; E411-H573 IonicContact OE1-NE2 2.78Å; E411-H573 PolarHBondContact OE1-NE2 3.28Å; E411-H573 VanDerWaalsContact OE1-NE2 3.13Å; E411-H573 IonicContact OE2-NE2 2.76Å; R414-H573 VanDerWaalsContact CZ-CE1 3.45Å; R414-H573 VanDerWaalsContact CZ-NE2 3.31Å; R414-H573 PolarHBondContact NE-CE1 2.95Å; R414-H573 PolarHBondContact NE-NE2 3.34Å; R414-H573 PolarHBondContact NH2-CD2 3.35Å; R414-H573 PolarHBondContact NH2-CE1 3.49Å; R414-H573 VanDerWaalsContact NH2-CE1 3.32Å; R414-H573 PolarHBondContact NH2-NE2 3.41Å; D536-H573 WeakPolarHBondContact OD1-CB 3.46Å; L537-H573 PolarHBondContact N-ND1 2.82Å; S538-H573 WeakPolarHBondContact CB-O 3.36Å; L570-H573 VanDerWaalsContact CD2-CE1 3.46Å; L570-H573 WeakPolarHBondContact CD2-CE1 3.42Å; L570-H573 VanDerWaalsContact O-CB 3.24Å; L570-H573 WeakPolarHBondContact O-CB 3.38Å; L570-H573 PolarHBondContact O-N 2.85Å; C571-H573 PolarHBondContact O-N 2.79Å; C571-H573 VanDerWaalsContact O-N 3.17Å; H573-M575 PolarHBondContact O-N 3.29Å; H573-M575 VanDerWaalsContact O-N 3.08Å; H573-S576 VanDerWaalsContact O-CB 3.24Å; H573-S576 WeakPolarHBondContact O-CB 3.4Å; H573-S576 PolarHBondContact O-N 3.38Å; H573-S576 PolarHBondContact O-OG 2.9Å |
| 574 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -60.7 | -29.5 | -165.1 | -79.5 | 32.6 | 0 | 0 | 0 | 113 | F540 C541 F547 L570 C571 A572 S576 C577 I589 R592 L596 | F540-F574 HydrophobicContact CB-CE1 4.41Å; C541-F574 HydrophobicContact CB-CD1 4.43Å; C541-F574 HydrophobicContact CB-CD2 3.64Å; C541-F574 HydrophobicContact CB-CE1 4.39Å; C541-F574 HydrophobicContact CB-CE2 3.59Å; C541-F574 HydrophobicContact CB-CG 4.08Å; C541-F574 HydrophobicContact CB-CZ 3.99Å; F547-F574 HydrophobicContact CD1-CZ 4.28Å; F547-F574 HydrophobicContact CE1-CE1 4.22Å; F547-F574 AromaticContact CE1-CZ 3.86Å; F547-F574 HydrophobicContact CE1-CZ 3.86Å; L570-F574 WeakPolarHBondContact O-CD1 3.41Å; C571-F574 WeakPolarHBondContact O-CB 3.36Å; C571-F574 PolarHBondContact O-N 3.46Å; A572-F574 VanDerWaalsContact C-N 3.34Å; F574-S576 PolarHBondContact O-N 3.34Å; F574-C577 PolarHBondContact O-N 2.85Å; F574-C577 PolarHBondContact O-SG 3.47Å; F574-I589 HydrophobicContact CB-CG2 3.99Å; F574-I589 WeakPolarHBondContact O-CG2 3.5Å; F574-R592 HydrophobicContact CE2-CG 4.47Å; F574-L596 HydrophobicContact CE2-CD1 3.85Å; F574-L596 HydrophobicContact CZ-CD1 4Å |
| 575 | M | 97.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 29.4 Ų | 29.4 | 15% | 0.153 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -69.4 | -20.3 | 178.2 | -64.1 | -59.8 | 93.9 | 0 | 0 | 113.3 | H573 C577 T578 I589 G590 W696 | H573-M575 PolarHBondContact O-N 3.29Å; H573-M575 VanDerWaalsContact O-N 3.08Å; M575-C577 VanDerWaalsContact C-N 3.27Å; M575-C577 PolarHBondContact O-N 3.08Å; M575-T578 PolarHBondContact O-N 3.1Å; M575-T578 PolarHBondContact O-OG1 3.45Å; M575-I589 HydrophobicContact CE-CB 4.1Å; M575-I589 HydrophobicContact CE-CG2 3.54Å; M575-G590 VanDerWaalsContact CE-N 3.34Å; M575-W696 HydrophobicContact CG-CB 4.24Å; M575-W696 HydrophobicContact CG-CG 4.32Å; M575-W696 HydrophobicContact SD-CB 4.4Å; M575-W696 HydrophobicContact SD-CD2 4.45Å; M575-W696 HydrophobicContact SD-CG 3.96Å |
| 576 | S | 97.2 | Very high | 97.8 | Very high | 54 Ų | 54 | 34 Ų | 34 | 38% | 0.378 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -71.4 | -18.3 | -179 | -41 | 0 | 0 | 0 | 0 | 113.3 | H573 F574 T578 | H573-S576 VanDerWaalsContact O-CB 3.24Å; H573-S576 WeakPolarHBondContact O-CB 3.4Å; H573-S576 PolarHBondContact O-N 3.38Å; H573-S576 PolarHBondContact O-OG 2.9Å; F574-S576 PolarHBondContact O-N 3.34Å; S576-T578 VanDerWaalsContact C-N 3.33Å |
| 577 | C | 97.5 | Very high | 97.8 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 14% | 0.142 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -87.1 | -0.7 | 177.1 | 69.5 | 0 | 0 | 0 | 0 | 114.4 | R295 S538 F542 F574 M575 | R295-C577 PolarHBondContact NH2-O 2.93Å; S538-C577 WeakPolarHBondContact OG-CB 3.43Å; F542-C577 HydrophobicContact CE2-CB 4.01Å; F542-C577 HydrophobicContact CZ-CB 4.32Å; F574-C577 PolarHBondContact O-N 2.85Å; F574-C577 PolarHBondContact O-SG 3.47Å; M575-C577 VanDerWaalsContact C-N 3.27Å; M575-C577 PolarHBondContact O-N 3.08Å |
| 578 | T | 97.7 | Very high | 97.6 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 17% | 0.172 | 24% | 0.239 | C | C | . | . | trans | -86.4 | 150.6 | -179.5 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | M575 S576 R586 I589 | M575-T578 PolarHBondContact O-N 3.1Å; M575-T578 PolarHBondContact O-OG1 3.45Å; S576-T578 VanDerWaalsContact C-N 3.33Å; T578-R586 HydrophobicContact CG2-CB 4.21Å; T578-R586 HydrophobicContact CG2-CG 4.16Å; T578-R586 PolarHBondContact OG1-NH1 3.28Å; T578-I589 HydrophobicContact CG2-CD1 4.02Å; T578-I589 HydrophobicContact CG2-CG2 4.5Å | ||
| 579 | H | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | trans | -126.5 | 145.7 | 177.3 | -163.4 | -84.5 | 0 | 0 | 0 | 110.1 | D22 G26 L581 C582 | D22-H579 PolarHBondContact O-NE2 3.25Å; D22-H579 IonicContact OD1-NE2 3.98Å; D22-H579 PolarHBondContact OD1-NE2 3.34Å; D22-H579 IonicContact OD2-CE1 3.62Å; D22-H579 IonicContact OD2-NE2 3.94Å; G26-H579 WeakPolarHBondContact CA-ND1 3.07Å; H579-L581 WeakPolarHBondContact ND1-CB 3.44Å; H579-L581 PolarHBondContact ND1-N 2.91Å; H579-L581 VanDerWaalsContact ND1-N 3.19Å; H579-L581 PolarHBondContact O-N 3.28Å; H579-L581 VanDerWaalsContact O-N 3.14Å; H579-C582 CarbonylContact O-C 3.58Å; H579-C582 PolarHBondContact O-N 3.05Å | ||
| 580 | E | 97.4 | Very high | 97.6 | Very high | 154 Ų | 154 | 45.4 Ų | 45.4 | 72% | 0.72 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.3 | -179.1 | 57.3 | 165.9 | -146.9 | 0 | 0 | 113.6 | C582 P583 | E580-C582 VanDerWaalsContact C-N 3.3Å; E580-C582 PolarHBondContact O-N 3.16Å; E580-P583 WeakPolarHBondContact O-CD 3.33Å |
| 581 | L | 97.2 | Very high | 97.5 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4.9 | 177.1 | -60.8 | 179.4 | 0 | 0 | 0 | 114 | R23 M27 R30 H579 | R23-L581 VanDerWaalsContact CD-CD1 3.4Å; R23-L581 VanDerWaalsContact NH1-CD1 3.28Å; R23-L581 VanDerWaalsContact NH1-CD2 3.31Å; M27-L581 HydrophobicContact CE-CD1 4.01Å; R30-L581 VanDerWaalsContact CD-O 3.24Å; R30-L581 WeakPolarHBondContact CD-O 3.38Å; R30-L581 WeakPolarHBondContact CG-O 3.32Å; R30-L581 PolarHBondContact NH1-O 3.35Å; H579-L581 WeakPolarHBondContact ND1-CB 3.44Å; H579-L581 PolarHBondContact ND1-N 2.91Å; H579-L581 VanDerWaalsContact ND1-N 3.19Å; H579-L581 PolarHBondContact O-N 3.28Å; H579-L581 VanDerWaalsContact O-N 3.14Å |
| 582 | C | 97.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | trans | -135.1 | 64.5 | 173.1 | -159.6 | 0 | 0 | 0 | 0 | 111.2 | T29 R30 N33 H579 E580 E584 E585 | T29-C582 HydrophobicContact CG2-CB 3.59Å; R30-C582 HydrophobicContact CG-CB 3.93Å; N33-C582 PolarHBondContact ND2-SG 2.96Å; N33-C582 VanDerWaalsContact ND2-SG 3.39Å; H579-C582 CarbonylContact O-C 3.58Å; H579-C582 PolarHBondContact O-N 3.05Å; E580-C582 VanDerWaalsContact C-N 3.3Å; E580-C582 PolarHBondContact O-N 3.16Å; C582-E584 WeakPolarHBondContact CA-OE2 3.27Å; C582-E584 PolarHBondContact O-N 3.08Å; C582-E584 PolarHBondContact SG-OE2 3.37Å; C582-E585 HydrophobicContact CB-CG 4.45Å; C582-E585 WeakPolarHBondContact O-CG 3.49Å | ||
| 583 | P | 97.3 | Very high | 97.5 | Very high | 75 Ų | 75 | 51 Ų | 51 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -18.4 | 178.9 | 30 | -36 | 0 | 0 | 0 | 112.6 | E580 E585 R586 | E580-P583 WeakPolarHBondContact O-CD 3.33Å; P583-E585 VanDerWaalsContact C-N 3.25Å; P583-E585 PolarHBondContact O-N 3.31Å; P583-R586 PolarHBondContact O-N 3.2Å |
| 584 | E | 95.8 | Very high | 97.5 | Very high | 103 Ų | 103 | 52.1 Ų | 52.1 | 48% | 0.481 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -29.8 | -176.3 | -53.3 | 92.2 | 152.6 | 0 | 0 | 112.8 | R30 C582 | R30-E584 IonicContact CZ-OE1 3.94Å; R30-E584 IonicContact NH1-OE1 3.97Å; R30-E584 PolarHBondContact NH1-OE1 2.81Å; R30-E584 IonicContact NH1-OE2 3.41Å; R30-E584 PolarHBondContact NH1-OE2 3.08Å; R30-E584 IonicContact NH2-OE1 3.93Å; R30-E584 PolarHBondContact NH2-OE1 2.82Å; C582-E584 WeakPolarHBondContact CA-OE2 3.27Å; C582-E584 PolarHBondContact O-N 3.08Å; C582-E584 PolarHBondContact SG-OE2 3.37Å |
| 585 | E | 97.1 | Very high | 97.5 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -91.4 | -18.5 | 178.6 | 61.1 | 166.5 | -162.5 | 0 | 0 | 114.1 | T29 N33 R295 C582 P583 H587 H588 I589 | T29-E585 WeakPolarHBondContact CG2-OE1 3.48Å; N33-E585 PolarHBondContact ND2-OE2 2.96Å; N33-E585 PolarHBondContact OD1-OE2 3.43Å; R295-E585 IonicContact CZ-OE1 2.58Å; R295-E585 IonicContact CZ-OE2 2.96Å; R295-E585 IonicContact NH1-OE1 3.3Å; R295-E585 IonicContact NH1-OE2 3.74Å; R295-E585 PolarHBondContact NH1-OE2 2.8Å; R295-E585 IonicContact NH2-OE1 2.69Å; R295-E585 PolarHBondContact NH2-OE1 2.91Å; R295-E585 IonicContact NH2-OE2 3.42Å; R295-E585 PolarHBondContact NH2-OE2 3.1Å; C582-E585 HydrophobicContact CB-CG 4.45Å; C582-E585 WeakPolarHBondContact O-CG 3.49Å; P583-E585 VanDerWaalsContact C-N 3.25Å; P583-E585 PolarHBondContact O-N 3.31Å; E585-H587 PolarHBondContact O-N 3.5Å; E585-H588 WeakPolarHBondContact O-CB 3.35Å; E585-H588 PolarHBondContact O-N 2.84Å; E585-H588 VanDerWaalsContact O-N 3.13Å; E585-I589 HydrophobicContact CB-CD1 4.21Å; E585-I589 HydrophobicContact CG-CD1 4.04Å; E585-I589 WeakPolarHBondContact O-CG1 3.45Å; E585-I589 PolarHBondContact O-N 3.22Å |
| 586 | R | 97.3 | Very high | 97.5 | Very high | 97 Ų | 97 | 54 Ų | 54 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | -167.1 | 175.4 | 173.3 | 176 | 84.8 | 0.2 | 112.6 | T578 P583 I589 G590 | T578-R586 HydrophobicContact CG2-CB 4.21Å; T578-R586 HydrophobicContact CG2-CG 4.16Å; T578-R586 PolarHBondContact OG1-NH1 3.28Å; P583-R586 PolarHBondContact O-N 3.2Å; R586-I589 PolarHBondContact O-N 3.12Å; R586-G590 PolarHBondContact O-N 3.42Å |
| 587 | H | 96.9 | Very high | 97.6 | Very high | 122 Ų | 122 | 51.4 Ų | 51.4 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.2 | -40 | 179.7 | -70.4 | 85.9 | 0 | 0 | 0 | 111.7 | E585 I589 G590 D591 W696 | E585-H587 PolarHBondContact O-N 3.5Å; H587-I589 VanDerWaalsContact C-N 3.33Å; H587-I589 PolarHBondContact O-N 3.02Å; H587-G590 CarbonylContact O-C 3.57Å; H587-G590 WeakPolarHBondContact O-CA 3.5Å; H587-G590 PolarHBondContact O-N 3.06Å; H587-G590 VanDerWaalsContact O-N 3.09Å; H587-D591 PolarHBondContact O-N 3.18Å; H587-W696 AromaticContact CD2-CH2 4Å; H587-W696 AromaticContact CD2-CZ2 3.88Å |
| 588 | H | 96.2 | Very high | 97.7 | Very high | 138 Ų | 138 | 53.8 Ų | 53.8 | 64% | 0.639 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61 | -43 | 176.5 | 178.6 | 65.7 | 0 | 0 | 0 | 112 | E585 G590 R592 | E585-H588 WeakPolarHBondContact O-CB 3.35Å; E585-H588 PolarHBondContact O-N 2.84Å; E585-H588 VanDerWaalsContact O-N 3.13Å; H588-G590 VanDerWaalsContact C-N 3.31Å; H588-R592 WeakPolarHBondContact O-CB 3.43Å; H588-R592 PolarHBondContact O-N 3.15Å |
| 589 | I | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 174.8 | -64.4 | 171.6 | 0 | 0 | 0 | 110.3 | F542 F574 M575 T578 E585 R586 H587 R592 S593 | F542-I589 HydrophobicContact CZ-CD1 4.26Å; F574-I589 HydrophobicContact CB-CG2 3.99Å; F574-I589 WeakPolarHBondContact O-CG2 3.5Å; M575-I589 HydrophobicContact CE-CB 4.1Å; M575-I589 HydrophobicContact CE-CG2 3.54Å; T578-I589 HydrophobicContact CG2-CD1 4.02Å; T578-I589 HydrophobicContact CG2-CG2 4.5Å; E585-I589 HydrophobicContact CB-CD1 4.21Å; E585-I589 HydrophobicContact CG-CD1 4.04Å; E585-I589 WeakPolarHBondContact O-CG1 3.45Å; E585-I589 PolarHBondContact O-N 3.22Å; R586-I589 PolarHBondContact O-N 3.12Å; H587-I589 VanDerWaalsContact C-N 3.33Å; H587-I589 PolarHBondContact O-N 3.02Å; I589-R592 PolarHBondContact O-N 2.98Å; I589-S593 PolarHBondContact O-N 3.46Å |
| 590 | G | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -58.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M575 R586 H587 H588 R592 S593 L594 | M575-G590 VanDerWaalsContact CE-N 3.34Å; R586-G590 PolarHBondContact O-N 3.42Å; H587-G590 CarbonylContact O-C 3.57Å; H587-G590 WeakPolarHBondContact O-CA 3.5Å; H587-G590 PolarHBondContact O-N 3.06Å; H587-G590 VanDerWaalsContact O-N 3.09Å; H588-G590 VanDerWaalsContact C-N 3.31Å; G590-R592 PolarHBondContact O-N 3.25Å; G590-S593 WeakPolarHBondContact O-CB 3.42Å; G590-S593 PolarHBondContact O-N 2.98Å; G590-S593 PolarHBondContact O-OG 3.49Å; G590-L594 PolarHBondContact O-N 3.02Å; G590-L594 VanDerWaalsContact O-N 3.1Å |
| 591 | D | 97.9 | Very high | 97.8 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.6 | -38.2 | 178.3 | -66.6 | -26.4 | 0 | 0 | 0 | 111.7 | H587 S593 L594 S595 W696 | H587-D591 PolarHBondContact O-N 3.18Å; D591-S593 PolarHBondContact O-N 3.4Å; D591-L594 PolarHBondContact O-N 2.71Å; D591-S595 VanDerWaalsContact O-CB 3.28Å; D591-S595 WeakPolarHBondContact O-CB 3.36Å; D591-S595 PolarHBondContact O-N 3.48Å; D591-W696 WeakPolarHBondContact OD1-CZ3 3.49Å |
| 592 | R | 97.2 | Very high | 97.9 | Very high | 68 Ų | 68 | 46.5 Ų | 46.5 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -40.7 | 176.6 | -173.1 | 59.3 | 175.3 | 157.4 | 3.4 | 112.1 | E548 F574 H588 I589 G590 L596 | E548-R592 IonicContact OE1-CZ 3.26Å; E548-R592 IonicContact OE1-NH2 3.85Å; E548-R592 PolarHBondContact OE1-NH2 3.15Å; F574-R592 HydrophobicContact CE2-CG 4.47Å; H588-R592 WeakPolarHBondContact O-CB 3.43Å; H588-R592 PolarHBondContact O-N 3.15Å; I589-R592 PolarHBondContact O-N 2.98Å; G590-R592 PolarHBondContact O-N 3.25Å; R592-L596 HydrophobicContact CG-CD1 4.12Å; R592-L596 WeakPolarHBondContact O-CB 3.38Å; R592-L596 WeakPolarHBondContact O-CG 3.28Å; R592-L596 PolarHBondContact O-N 3.11Å |
| 593 | S | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.1 | 75.3 | 0 | 0 | 0 | 0 | 112.1 | I589 G590 D591 C597 V695 | I589-S593 PolarHBondContact O-N 3.46Å; G590-S593 WeakPolarHBondContact O-CB 3.42Å; G590-S593 PolarHBondContact O-N 2.98Å; G590-S593 PolarHBondContact O-OG 3.49Å; D591-S593 PolarHBondContact O-N 3.4Å; S593-C597 VanDerWaalsContact O-CB 3.26Å; S593-C597 WeakPolarHBondContact O-CB 3.45Å; S593-C597 PolarHBondContact O-N 3.41Å; S593-V695 WeakPolarHBondContact OG-CG1 3.32Å |
| 594 | L | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.7 | -62.1 | -179.7 | 0 | 0 | 0 | 111.4 | G590 D591 L596 C597 N598 V695 W696 H698 F700 | G590-L594 PolarHBondContact O-N 3.02Å; G590-L594 VanDerWaalsContact O-N 3.1Å; D591-L594 PolarHBondContact O-N 2.71Å; L594-L596 PolarHBondContact O-N 3.05Å; L594-C597 PolarHBondContact O-N 2.94Å; L594-N598 WeakPolarHBondContact O-CB 3.29Å; L594-N598 PolarHBondContact O-N 3.38Å; L594-V695 HydrophobicContact CD2-CB 4.33Å; L594-V695 HydrophobicContact CD2-CG1 4.16Å; L594-V695 VanDerWaalsContact CD2-O 3.27Å; L594-V695 WeakPolarHBondContact CD2-O 3.28Å; L594-W696 HydrophobicContact CD1-CE3 3.57Å; L594-W696 HydrophobicContact CD1-CZ3 3.83Å; L594-W696 HydrophobicContact CD2-CB 4.47Å; L594-W696 HydrophobicContact CG-CE3 3.91Å; L594-H698 HydrophobicContact CD2-CB 3.72Å; L594-F700 HydrophobicContact CB-CZ 4.4Å; L594-F700 HydrophobicContact CD2-CE2 3.74Å; L594-F700 HydrophobicContact CD2-CZ 3.92Å |
| 595 | S | 98.5 | Very high | 98.1 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 47% | 0.469 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 179.5 | 175 | 0 | 0 | 0 | 0 | 112 | D591 M599 | D591-S595 VanDerWaalsContact O-CB 3.28Å; D591-S595 WeakPolarHBondContact O-CB 3.36Å; D591-S595 PolarHBondContact O-N 3.48Å; S595-M599 WeakPolarHBondContact O-CB 3.39Å; S595-M599 PolarHBondContact O-N 3.43Å |
| 596 | L | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.6 | -43.2 | 178.5 | -74.6 | 173.4 | 0 | 0 | 0 | 112.1 | F547 E548 F574 R592 L594 N598 M599 F600 | F547-L596 HydrophobicContact CD1-CD1 4.09Å; F547-L596 HydrophobicContact CE1-CD1 4.23Å; E548-L596 HydrophobicContact CG-CD2 4Å; E548-L596 WeakPolarHBondContact OE1-CD2 3.41Å; F574-L596 HydrophobicContact CE2-CD1 3.85Å; F574-L596 HydrophobicContact CZ-CD1 4Å; R592-L596 HydrophobicContact CG-CD1 4.12Å; R592-L596 WeakPolarHBondContact O-CB 3.38Å; R592-L596 WeakPolarHBondContact O-CG 3.28Å; R592-L596 PolarHBondContact O-N 3.11Å; L594-L596 PolarHBondContact O-N 3.05Å; L596-N598 VanDerWaalsContact C-N 3.34Å; L596-N598 PolarHBondContact O-N 3.29Å; L596-M599 HydrophobicContact CD2-CE 3.98Å; L596-M599 PolarHBondContact O-N 3.25Å; L596-F600 HydrophobicContact CB-CD2 4.47Å; L596-F600 HydrophobicContact CB-CE2 4.01Å; L596-F600 HydrophobicContact CD2-CZ 4.31Å; L596-F600 WeakPolarHBondContact O-CD2 3.45Å; L596-F600 VanDerWaalsContact O-CG 3.3Å; L596-F600 WeakPolarHBondContact O-CG 3.34Å; L596-F600 PolarHBondContact O-N 3.41Å |
| 597 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -49.1 | 176.5 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | C571 S593 L594 M599 F600 L601 V695 F700 | C571-C597 HydrophobicContact CB-CB 3.93Å; S593-C597 VanDerWaalsContact O-CB 3.26Å; S593-C597 WeakPolarHBondContact O-CB 3.45Å; S593-C597 PolarHBondContact O-N 3.41Å; L594-C597 PolarHBondContact O-N 2.94Å; C597-M599 PolarHBondContact O-N 2.65Å; C597-F600 PolarHBondContact O-N 2.76Å; C597-L601 WeakPolarHBondContact O-CG 3.22Å; C597-L601 PolarHBondContact O-N 3.07Å; C597-L601 VanDerWaalsContact O-N 3.15Å; C597-V695 HydrophobicContact CB-CG2 4.33Å; C597-F700 HydrophobicContact CB-CE1 4.42Å; C597-F700 HydrophobicContact CB-CE2 4.4Å; C597-F700 HydrophobicContact CB-CZ 4.28Å |
| 598 | N | 98.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 35.8 Ų | 35.8 | 38% | 0.38 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 176.1 | -177.4 | 77.4 | 0 | 0 | 0 | 112.1 | L594 L596 F600 L601 D602 F700 Y705 | L594-N598 WeakPolarHBondContact O-CB 3.29Å; L594-N598 PolarHBondContact O-N 3.38Å; L596-N598 VanDerWaalsContact C-N 3.34Å; L596-N598 PolarHBondContact O-N 3.29Å; N598-F600 PolarHBondContact O-N 2.98Å; N598-L601 PolarHBondContact O-N 3.47Å; N598-D602 VanDerWaalsContact O-CB 3.24Å; N598-D602 WeakPolarHBondContact O-CB 3.13Å; N598-D602 PolarHBondContact O-N 2.91Å; N598-F700 HydrophobicContact CB-CE1 4.06Å; N598-Y705 WeakPolarHBondContact OD1-CE1 3.36Å; N598-Y705 PolarHBondContact OD1-OH 2.97Å |
| 599 | M | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 31.2 Ų | 31.2 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | -179.1 | -177.9 | -83.3 | -68.6 | 0 | 0 | 111.9 | E548 F551 S595 L596 C597 D602 E603 | E548-M599 HydrophobicContact CG-CE 3.9Å; F551-M599 HydrophobicContact CE1-SD 4.47Å; S595-M599 WeakPolarHBondContact O-CB 3.39Å; S595-M599 PolarHBondContact O-N 3.43Å; L596-M599 HydrophobicContact CD2-CE 3.98Å; L596-M599 PolarHBondContact O-N 3.25Å; C597-M599 PolarHBondContact O-N 2.65Å; M599-D602 PolarHBondContact O-N 3.1Å; M599-E603 WeakPolarHBondContact O-CG 3.17Å; M599-E603 PolarHBondContact O-N 3.46Å; M599-E603 HydrophobicContact SD-CG 3.99Å |
| 600 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 179.6 | -66.2 | -41.3 | 0 | 0 | 0 | 112.5 | F547 F551 F567 P568 L596 C597 N598 D602 E603 M604 | F547-F600 HydrophobicContact CD1-CE2 4.06Å; F547-F600 AromaticContact CD1-CZ 3.8Å; F547-F600 HydrophobicContact CD1-CZ 3.8Å; F547-F600 AromaticContact CE1-CE2 3.43Å; F547-F600 HydrophobicContact CE1-CE2 3.43Å; F547-F600 VanDerWaalsContact CE1-CE2 3.43Å; F547-F600 AromaticContact CE1-CZ 3.67Å; F547-F600 HydrophobicContact CE1-CZ 3.67Å; F547-F600 HydrophobicContact CE2-CE2 4.49Å; F547-F600 HydrophobicContact CG-CZ 4.29Å; F547-F600 AromaticContact CZ-CE2 3.67Å; F547-F600 HydrophobicContact CZ-CE2 3.67Å; F547-F600 HydrophobicContact CZ-CZ 4.03Å; F551-F600 HydrophobicContact CB-CD1 4.04Å; F551-F600 HydrophobicContact CB-CE1 3.62Å; F551-F600 HydrophobicContact CB-CZ 4.43Å; F551-F600 AromaticContact CD1-CD1 3.46Å; F551-F600 HydrophobicContact CD1-CD1 3.46Å; F551-F600 VanDerWaalsContact CD1-CD1 3.46Å; F551-F600 AromaticContact CD1-CE1 3.72Å; F551-F600 HydrophobicContact CD1-CE1 3.72Å; F551-F600 HydrophobicContact CD2-CB 4.48Å; F551-F600 AromaticContact CD2-CD1 3.61Å; F551-F600 HydrophobicContact CD2-CD1 3.61Å; F551-F600 HydrophobicContact CD2-CE1 4.07Å; F551-F600 HydrophobicContact CD2-CG 4.22Å; F551-F600 AromaticContact CE1-CD1 3.66Å; F551-F600 HydrophobicContact CE1-CD1 3.66Å; F551-F600 HydrophobicContact CE1-CE1 4.37Å; F551-F600 HydrophobicContact CE2-CB 3.98Å; F551-F600 AromaticContact CE2-CD1 3.8Å; F551-F600 HydrophobicContact CE2-CD1 3.8Å; F551-F600 HydrophobicContact CE2-CG 4.19Å; F551-F600 AromaticContact CG-CD1 3.41Å; F551-F600 HydrophobicContact CG-CD1 3.41Å; F551-F600 VanDerWaalsContact CG-CD1 3.41Å; F551-F600 AromaticContact CG-CE1 3.53Å; F551-F600 HydrophobicContact CG-CE1 3.53Å; F551-F600 HydrophobicContact CG-CG 4.42Å; F551-F600 HydrophobicContact CZ-CB 4.05Å; F551-F600 AromaticContact CZ-CD1 3.8Å; F551-F600 HydrophobicContact CZ-CD1 3.8Å; F551-F600 HydrophobicContact CZ-CG 4.36Å; F551-F600 WeakPolarHBondContact CZ-O 3.35Å; F567-F600 HydrophobicContact CB-CD1 4.47Å; F567-F600 HydrophobicContact CB-CD2 3.92Å; F567-F600 HydrophobicContact CB-CE1 4.49Å; F567-F600 HydrophobicContact CB-CE2 3.96Å; F567-F600 HydrophobicContact CB-CG 4.19Å; F567-F600 HydrophobicContact CB-CZ 4.25Å; P568-F600 HydrophobicContact CG-CB 3.69Å; L596-F600 HydrophobicContact CB-CD2 4.47Å; L596-F600 HydrophobicContact CB-CE2 4.01Å; L596-F600 HydrophobicContact CD2-CZ 4.31Å; L596-F600 WeakPolarHBondContact O-CD2 3.45Å; L596-F600 VanDerWaalsContact O-CG 3.3Å; L596-F600 WeakPolarHBondContact O-CG 3.34Å; L596-F600 PolarHBondContact O-N 3.41Å; C597-F600 PolarHBondContact O-N 2.76Å; N598-F600 PolarHBondContact O-N 2.98Å; F600-D602 VanDerWaalsContact C-N 3.34Å; F600-D602 PolarHBondContact O-N 3.35Å; F600-E603 PolarHBondContact O-N 3.29Å; F600-M604 WeakPolarHBondContact O-CB 3.34Å; F600-M604 VanDerWaalsContact O-CG 3.23Å; F600-M604 WeakPolarHBondContact O-CG 3.37Å; F600-M604 PolarHBondContact O-N 3.19Å |
| 601 | L | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 178.5 | -65.3 | 177.9 | 0 | 0 | 0 | 112 | I565 P568 C597 N598 M604 A605 L693 F700 P702 Y705 | I565-L601 HydrophobicContact CD1-CD2 4.15Å; P568-L601 HydrophobicContact CB-CD2 3.96Å; P568-L601 HydrophobicContact CB-CG 4.24Å; P568-L601 HydrophobicContact CG-CD2 3.67Å; P568-L601 HydrophobicContact CG-CG 4.11Å; C597-L601 WeakPolarHBondContact O-CG 3.22Å; C597-L601 PolarHBondContact O-N 3.07Å; C597-L601 VanDerWaalsContact O-N 3.15Å; N598-L601 PolarHBondContact O-N 3.47Å; L601-M604 HydrophobicContact CD2-SD 4.45Å; L601-A605 WeakPolarHBondContact O-CB 3.45Å; L601-A605 PolarHBondContact O-N 2.75Å; L601-L693 HydrophobicContact CD1-CD2 4.38Å; L601-F700 HydrophobicContact CD1-CB 3.71Å; L601-F700 HydrophobicContact CD1-CD1 4.07Å; L601-F700 HydrophobicContact CD1-CG 4.25Å; L601-P702 HydrophobicContact CD1-CG 4.5Å; L601-P702 HydrophobicContact CD2-CB 3.88Å; L601-P702 HydrophobicContact CD2-CG 3.79Å; L601-Y705 HydrophobicContact CB-CD1 4.3Å; L601-Y705 HydrophobicContact CB-CD2 3.93Å; L601-Y705 HydrophobicContact CB-CE1 4.3Å; L601-Y705 HydrophobicContact CB-CE2 3.94Å; L601-Y705 HydrophobicContact CB-CG 4.12Å; L601-Y705 HydrophobicContact CD1-CD2 4.28Å; L601-Y705 HydrophobicContact CD1-CE2 3.78Å |
| 602 | D | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 19% | 0.187 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 176.4 | -175.5 | 49.1 | 0 | 0 | 0 | 112.1 | N598 M599 F600 A605 K606 Y705 H709 | N598-D602 VanDerWaalsContact O-CB 3.24Å; N598-D602 WeakPolarHBondContact O-CB 3.13Å; N598-D602 PolarHBondContact O-N 2.91Å; M599-D602 PolarHBondContact O-N 3.1Å; F600-D602 VanDerWaalsContact C-N 3.34Å; F600-D602 PolarHBondContact O-N 3.35Å; D602-A605 PolarHBondContact O-N 3.01Å; D602-K606 WeakPolarHBondContact O-CB 3.42Å; D602-K606 VanDerWaalsContact O-CG 3.26Å; D602-K606 WeakPolarHBondContact O-CG 3.48Å; D602-K606 PolarHBondContact O-N 3.21Å; D602-K606 WeakPolarHBondContact OD2-CE 3.32Å; D602-K606 IonicContact OD2-NZ 3.41Å; D602-K606 PolarHBondContact OD2-NZ 3.05Å; D602-Y705 HydrophobicContact CB-CD1 4.08Å; D602-Y705 HydrophobicContact CB-CE1 4.28Å; D602-H709 IonicContact OD1-CD2 2.89Å; D602-H709 IonicContact OD1-CE1 3.88Å; D602-H709 IonicContact OD1-NE2 2.67Å; D602-H709 PolarHBondContact OD1-NE2 3.41Å |
| 603 | E | 98.7 | Very high | 98.6 | Very high | 72 Ų | 72 | 27.6 Ų | 27.6 | 34% | 0.336 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.4 | -37.2 | 177.1 | -71.7 | -56.8 | 133.8 | 0 | 0 | 112.9 | F551 L555 M599 F600 K606 Q607 | F551-E603 HydrophobicContact CE1-CB 3.78Å; F551-E603 HydrophobicContact CE1-CG 4.46Å; F551-E603 HydrophobicContact CZ-CB 3.94Å; L555-E603 HydrophobicContact CD1-CB 4.29Å; M599-E603 WeakPolarHBondContact O-CG 3.17Å; M599-E603 PolarHBondContact O-N 3.46Å; M599-E603 HydrophobicContact SD-CG 3.99Å; F600-E603 PolarHBondContact O-N 3.29Å; E603-K606 PolarHBondContact O-N 3.42Å; E603-K606 VanDerWaalsContact OE1-CD 3.32Å; E603-K606 WeakPolarHBondContact OE1-CD 3.23Å; E603-K606 IonicContact OE1-NZ 3.79Å; E603-K606 PolarHBondContact OE1-NZ 3.23Å; E603-Q607 WeakPolarHBondContact O-CB 3.34Å; E603-Q607 PolarHBondContact O-N 3.49Å |
| 604 | M | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.5 | -48.4 | 170.9 | -73.9 | 168.9 | 62.7 | 0 | 0 | 111.1 | F551 L555 S564 I565 P568 F600 L601 Q607 A608 L683 S686 I687 | F551-M604 HydrophobicContact CE2-CG 3.95Å; F551-M604 HydrophobicContact CE2-SD 4.3Å; F551-M604 HydrophobicContact CZ-CG 4.03Å; L555-M604 HydrophobicContact CD2-CG 4.06Å; S564-M604 WeakPolarHBondContact OG-CE 3.36Å; I565-M604 HydrophobicContact CB-CE 4.33Å; I565-M604 HydrophobicContact CD1-CE 4.3Å; P568-M604 HydrophobicContact CG-SD 4.13Å; F600-M604 WeakPolarHBondContact O-CB 3.34Å; F600-M604 VanDerWaalsContact O-CG 3.23Å; F600-M604 WeakPolarHBondContact O-CG 3.37Å; F600-M604 PolarHBondContact O-N 3.19Å; L601-M604 HydrophobicContact CD2-SD 4.45Å; M604-Q607 PolarHBondContact O-N 2.96Å; M604-A608 PolarHBondContact O-N 3Å; M604-L683 HydrophobicContact CB-CD1 4.35Å; M604-L683 HydrophobicContact CG-CD1 4.31Å; M604-S686 WeakPolarHBondContact CE-OG 3.35Å; M604-I687 HydrophobicContact CB-CG1 4.37Å; M604-I687 HydrophobicContact CE-CG1 3.9Å |
| 605 | A | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L601 D602 Q607 A608 R609 L706 | L601-A605 WeakPolarHBondContact O-CB 3.45Å; L601-A605 PolarHBondContact O-N 2.75Å; D602-A605 PolarHBondContact O-N 3.01Å; A605-Q607 VanDerWaalsContact C-N 3.34Å; A605-Q607 PolarHBondContact O-N 3.19Å; A605-A608 PolarHBondContact O-N 3.3Å; A605-R609 VanDerWaalsContact O-CB 3.29Å; A605-R609 WeakPolarHBondContact O-CB 3.33Å; A605-R609 PolarHBondContact O-N 3.35Å; A605-L706 HydrophobicContact CB-CB 4.37Å |
| 606 | K | 98.6 | Very high | 98.5 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 22% | 0.217 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 175.6 | -76.5 | 165.8 | 175.3 | 166 | 0 | 112.4 | D602 E603 R609 N610 | D602-K606 WeakPolarHBondContact O-CB 3.42Å; D602-K606 VanDerWaalsContact O-CG 3.26Å; D602-K606 WeakPolarHBondContact O-CG 3.48Å; D602-K606 PolarHBondContact O-N 3.21Å; D602-K606 WeakPolarHBondContact OD2-CE 3.32Å; D602-K606 IonicContact OD2-NZ 3.41Å; D602-K606 PolarHBondContact OD2-NZ 3.05Å; E603-K606 PolarHBondContact O-N 3.42Å; E603-K606 VanDerWaalsContact OE1-CD 3.32Å; E603-K606 WeakPolarHBondContact OE1-CD 3.23Å; E603-K606 IonicContact OE1-NZ 3.79Å; E603-K606 PolarHBondContact OE1-NZ 3.23Å; K606-R609 WeakPolarHBondContact O-CB 3.43Å; K606-R609 PolarHBondContact O-N 2.64Å; K606-R609 PolarHBondContact O-NE 2.92Å; K606-N610 PolarHBondContact O-N 3.17Å; K606-N610 PolarHBondContact O-ND2 3.07Å; K606-N610 PolarHBondContact O-OD1 3.22Å |
| 607 | Q | 98.4 | Very high | 98.4 | Very high | 66 Ų | 66 | 30.7 Ų | 30.7 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.5 | -43 | 179.1 | -175.4 | 63.8 | 3.2 | 0 | 0 | 111.4 | E603 M604 A605 R609 N610 L611 L683 | E603-Q607 WeakPolarHBondContact O-CB 3.34Å; E603-Q607 PolarHBondContact O-N 3.49Å; M604-Q607 PolarHBondContact O-N 2.96Å; A605-Q607 VanDerWaalsContact C-N 3.34Å; A605-Q607 PolarHBondContact O-N 3.19Å; Q607-R609 PolarHBondContact O-N 2.88Å; Q607-N610 PolarHBondContact O-N 3.45Å; Q607-L611 WeakPolarHBondContact O-CG 3.32Å; Q607-L611 PolarHBondContact O-N 3.22Å; Q607-L683 HydrophobicContact CB-CD2 3.8Å; Q607-L683 HydrophobicContact CG-CD2 3.78Å |
| 608 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M604 A605 N610 L611 I612 L680 L683 I687 L706 | M604-A608 PolarHBondContact O-N 3Å; A605-A608 PolarHBondContact O-N 3.3Å; A608-N610 VanDerWaalsContact C-N 3.31Å; A608-N610 PolarHBondContact O-N 3.35Å; A608-L611 PolarHBondContact O-N 3.18Å; A608-I612 VanDerWaalsContact O-CG1 3.24Å; A608-I612 WeakPolarHBondContact O-CG1 3.47Å; A608-I612 PolarHBondContact O-N 3.38Å; A608-L680 HydrophobicContact CB-CD1 4.37Å; A608-L683 HydrophobicContact CB-CD2 3.92Å; A608-L683 HydrophobicContact CB-CG 4.42Å; A608-I687 HydrophobicContact CB-CD1 3.83Å; A608-L706 HydrophobicContact CB-CD1 3.87Å |
| 609 | R | 98.4 | Very high | 98.3 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 16% | 0.155 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.3 | -41.8 | 173.6 | 174.6 | -149.2 | 66.9 | -175.4 | 1.5 | 112.5 | A605 K606 Q607 I612 T613 H709 R713 | A605-R609 VanDerWaalsContact O-CB 3.29Å; A605-R609 WeakPolarHBondContact O-CB 3.33Å; A605-R609 PolarHBondContact O-N 3.35Å; K606-R609 WeakPolarHBondContact O-CB 3.43Å; K606-R609 PolarHBondContact O-N 2.64Å; K606-R609 PolarHBondContact O-NE 2.92Å; Q607-R609 PolarHBondContact O-N 2.88Å; R609-I612 PolarHBondContact O-N 3.2Å; R609-T613 WeakPolarHBondContact O-CB 3.32Å; R609-T613 PolarHBondContact O-N 3.02Å; R609-T613 PolarHBondContact O-OG1 3.14Å; R609-H709 HydrophobicContact CB-CB 4.28Å; R609-H709 HydrophobicContact CG-CB 4.36Å; R609-H709 PolarHBondContact NH1-ND1 3.13Å; R609-R713 HydrophobicContact CG-CB 3.69Å; R609-R713 HydrophobicContact CG-CG 3.81Å |
| 610 | N | 98.1 | Very high | 98.2 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.2 | -49.1 | 177.5 | -67.6 | -17.3 | 0 | 0 | 0 | 111.1 | K606 Q607 A608 I612 T613 D614 | K606-N610 PolarHBondContact O-N 3.17Å; K606-N610 PolarHBondContact O-ND2 3.07Å; K606-N610 PolarHBondContact O-OD1 3.22Å; Q607-N610 PolarHBondContact O-N 3.45Å; A608-N610 VanDerWaalsContact C-N 3.31Å; A608-N610 PolarHBondContact O-N 3.35Å; N610-I612 VanDerWaalsContact C-N 3.28Å; N610-I612 PolarHBondContact O-N 2.91Å; N610-T613 WeakPolarHBondContact O-CB 3.25Å; N610-T613 PolarHBondContact O-N 3.14Å; N610-D614 PolarHBondContact O-N 3.13Å |
| 611 | L | 98.4 | Very high | 98.1 | Very high | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -42.8 | 176.6 | -67.3 | 168.1 | 0 | 0 | 0 | 111.8 | Q607 A608 T613 D614 I615 L676 A679 L680 L683 | Q607-L611 WeakPolarHBondContact O-CG 3.32Å; Q607-L611 PolarHBondContact O-N 3.22Å; A608-L611 PolarHBondContact O-N 3.18Å; L611-T613 VanDerWaalsContact C-N 3.35Å; L611-T613 PolarHBondContact O-N 2.93Å; L611-D614 PolarHBondContact O-N 3.42Å; L611-I615 VanDerWaalsContact O-CG1 3.25Å; L611-I615 WeakPolarHBondContact O-CG1 3.46Å; L611-I615 PolarHBondContact O-N 3.18Å; L611-L676 HydrophobicContact CD2-CD2 3.83Å; L611-A679 HydrophobicContact CD1-CB 3.88Å; L611-A679 HydrophobicContact CD2-CB 3.96Å; L611-L680 HydrophobicContact CB-CB 4.37Å; L611-L680 HydrophobicContact CB-CD1 4.41Å; L611-L680 HydrophobicContact CD1-CB 4.42Å; L611-L683 HydrophobicContact CD1-CD2 4.44Å |
| 612 | I | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 175.4 | -69 | 166.2 | 0 | 0 | 0 | 111 | A608 R609 N610 D614 I615 C616 L680 L710 V747 L748 I751 | A608-I612 VanDerWaalsContact O-CG1 3.24Å; A608-I612 WeakPolarHBondContact O-CG1 3.47Å; A608-I612 PolarHBondContact O-N 3.38Å; R609-I612 PolarHBondContact O-N 3.2Å; N610-I612 VanDerWaalsContact C-N 3.28Å; N610-I612 PolarHBondContact O-N 2.91Å; I612-D614 VanDerWaalsContact C-N 3.32Å; I612-D614 PolarHBondContact O-N 3.45Å; I612-I615 PolarHBondContact O-N 3.41Å; I612-C616 WeakPolarHBondContact O-CB 3.24Å; I612-C616 PolarHBondContact O-N 3.39Å; I612-C616 PolarHBondContact O-SG 2.94Å; I612-L680 HydrophobicContact CD1-CD1 4.03Å; I612-L680 HydrophobicContact CG1-CD1 3.72Å; I612-L680 HydrophobicContact CG1-CD2 3.86Å; I612-L680 HydrophobicContact CG1-CG 4.47Å; I612-L710 HydrophobicContact CD1-CD2 3.68Å; I612-L710 HydrophobicContact CG2-CD2 4.37Å; I612-V747 HydrophobicContact CG2-CG1 4.25Å; I612-L748 HydrophobicContact CG2-CD2 3.77Å; I612-I751 HydrophobicContact CD1-CD1 3.54Å; I612-I751 HydrophobicContact CD1-CG1 3.94Å; I612-I751 HydrophobicContact CG1-CD1 3.76Å |
| 613 | T | 98.3 | Very high | 97.8 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.6 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | R609 N610 L611 C616 T617 R713 | R609-T613 WeakPolarHBondContact O-CB 3.32Å; R609-T613 PolarHBondContact O-N 3.02Å; R609-T613 PolarHBondContact O-OG1 3.14Å; N610-T613 WeakPolarHBondContact O-CB 3.25Å; N610-T613 PolarHBondContact O-N 3.14Å; L611-T613 VanDerWaalsContact C-N 3.35Å; L611-T613 PolarHBondContact O-N 2.93Å; T613-C616 PolarHBondContact O-N 3Å; T613-T617 PolarHBondContact O-N 3.04Å; T613-T617 PolarHBondContact O-OG1 3.14Å; T613-R713 WeakPolarHBondContact OG1-CG 3.31Å; T613-R713 PolarHBondContact OG1-NH1 3.47Å |
| 614 | D | 98.2 | Very high | 97.6 | Very high | 78 Ų | 78 | 35.5 Ų | 35.5 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.5 | -40.8 | 178 | -63.8 | -18.9 | 0 | 0 | 0 | 110.9 | N610 L611 I612 T617 E618 L676 | N610-D614 PolarHBondContact O-N 3.13Å; L611-D614 PolarHBondContact O-N 3.42Å; I612-D614 VanDerWaalsContact C-N 3.32Å; I612-D614 PolarHBondContact O-N 3.45Å; D614-T617 WeakPolarHBondContact O-CB 3.31Å; D614-T617 PolarHBondContact O-N 3.02Å; D614-E618 PolarHBondContact O-N 3.38Å; D614-L676 HydrophobicContact CB-CD1 3.8Å; D614-L676 HydrophobicContact CB-CD2 3.84Å; D614-L676 HydrophobicContact CB-CG 4.49Å |
| 615 | I | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 173.7 | -66.2 | 165.1 | 0 | 0 | 0 | 110.7 | L611 I612 T617 E618 Q619 L673 L676 L680 V747 | L611-I615 VanDerWaalsContact O-CG1 3.25Å; L611-I615 WeakPolarHBondContact O-CG1 3.46Å; L611-I615 PolarHBondContact O-N 3.18Å; I612-I615 PolarHBondContact O-N 3.41Å; I615-T617 VanDerWaalsContact C-N 3.27Å; I615-T617 PolarHBondContact O-N 2.86Å; I615-E618 PolarHBondContact O-N 2.88Å; I615-Q619 HydrophobicContact CG2-CG 4.3Å; I615-Q619 WeakPolarHBondContact O-CB 3.25Å; I615-Q619 VanDerWaalsContact O-CG 3.31Å; I615-Q619 WeakPolarHBondContact O-CG 3.25Å; I615-Q619 PolarHBondContact O-N 3.31Å; I615-L673 HydrophobicContact CG1-CD1 4.41Å; I615-L673 HydrophobicContact CG2-CD1 4.17Å; I615-L676 HydrophobicContact CD1-CB 4.05Å; I615-L676 HydrophobicContact CG1-CB 3.64Å; I615-L676 HydrophobicContact CG1-CD1 4.05Å; I615-L676 HydrophobicContact CG1-CG 4.43Å; I615-L680 HydrophobicContact CD1-CB 4.32Å; I615-L680 HydrophobicContact CD1-CD2 3.64Å; I615-V747 HydrophobicContact CB-CG1 4.18Å; I615-V747 HydrophobicContact CG2-CB 4.48Å; I615-V747 HydrophobicContact CG2-CG1 3.65Å; I615-V747 HydrophobicContact CG2-CG2 3.91Å |
| 616 | C | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 175 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | I612 T613 Q619 C620 Y744 | I612-C616 WeakPolarHBondContact O-CB 3.24Å; I612-C616 PolarHBondContact O-N 3.39Å; I612-C616 PolarHBondContact O-SG 2.94Å; T613-C616 PolarHBondContact O-N 3Å; C616-Q619 PolarHBondContact O-N 3.44Å; C616-C620 WeakPolarHBondContact O-CB 3.49Å; C616-C620 PolarHBondContact O-N 2.88Å; C616-C620 PolarHBondContact O-SG 3.01Å; C616-Y744 HydrophobicContact CB-CD1 3.65Å; C616-Y744 HydrophobicContact CB-CD2 3.71Å; C616-Y744 HydrophobicContact CB-CE1 3.45Å; C616-Y744 VanDerWaalsContact CB-CE1 3.45Å; C616-Y744 HydrophobicContact CB-CE2 3.52Å; C616-Y744 HydrophobicContact CB-CG 3.77Å; C616-Y744 VanDerWaalsContact SG-CD1 3.51Å |
| 617 | T | 97.1 | Very high | 97 | Very high | 71 Ų | 71 | 43.7 Ų | 43.7 | 44% | 0.436 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 112 | T613 D614 I615 C620 T621 | T613-T617 PolarHBondContact O-N 3.04Å; T613-T617 PolarHBondContact O-OG1 3.14Å; D614-T617 WeakPolarHBondContact O-CB 3.31Å; D614-T617 PolarHBondContact O-N 3.02Å; I615-T617 VanDerWaalsContact C-N 3.27Å; I615-T617 PolarHBondContact O-N 2.86Å; T617-C620 PolarHBondContact O-N 2.89Å; T617-T621 PolarHBondContact O-N 3.27Å; T617-T621 PolarHBondContact O-OG1 2.88Å |
| 618 | E | 96.8 | Very high | 96.8 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 173.1 | -72.7 | -73.6 | -173.7 | 0 | 0 | 111.1 | D614 I615 T621 L622 N672 L673 L676 | D614-E618 PolarHBondContact O-N 3.38Å; I615-E618 PolarHBondContact O-N 2.88Å; E618-T621 WeakPolarHBondContact O-CB 3.32Å; E618-T621 PolarHBondContact O-N 2.72Å; E618-L622 WeakPolarHBondContact O-CG 3.25Å; E618-L622 PolarHBondContact O-N 2.93Å; E618-N672 PolarHBondContact OE1-ND2 2.94Å; E618-L673 HydrophobicContact CB-CD1 4.25Å; E618-L676 HydrophobicContact CG-CD1 4.35Å |
| 619 | Q | 97 | Very high | 96.5 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 179.3 | -68.7 | -61.9 | -29.3 | 0 | 0 | 113.3 | I615 C616 T621 L622 S623 A743 V747 | I615-Q619 HydrophobicContact CG2-CG 4.3Å; I615-Q619 WeakPolarHBondContact O-CB 3.25Å; I615-Q619 VanDerWaalsContact O-CG 3.31Å; I615-Q619 WeakPolarHBondContact O-CG 3.25Å; I615-Q619 PolarHBondContact O-N 3.31Å; C616-Q619 PolarHBondContact O-N 3.44Å; Q619-T621 VanDerWaalsContact C-N 3.31Å; Q619-L622 PolarHBondContact O-N 2.84Å; Q619-S623 WeakPolarHBondContact O-CB 3.46Å; Q619-S623 PolarHBondContact O-N 3.48Å; Q619-S623 PolarHBondContact O-OG 2.76Å; Q619-A743 HydrophobicContact CB-CB 4.48Å; Q619-V747 HydrophobicContact CB-CG2 4.06Å; Q619-V747 HydrophobicContact CG-CG2 3.67Å |
| 620 | C | 96.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 170.6 | -72.6 | 0 | 0 | 0 | 0 | 111 | C616 T617 L622 S623 D624 Y744 | C616-C620 WeakPolarHBondContact O-CB 3.49Å; C616-C620 PolarHBondContact O-N 2.88Å; C616-C620 PolarHBondContact O-SG 3.01Å; T617-C620 PolarHBondContact O-N 2.89Å; C620-L622 PolarHBondContact O-N 3.32Å; C620-S623 PolarHBondContact O-N 3.01Å; C620-D624 PolarHBondContact O-N 3.22Å; C620-Y744 VanDerWaalsContact SG-CD2 3.53Å; C620-Y744 VanDerWaalsContact SG-CE2 3.6Å |
| 621 | T | 96.1 | Very high | 95.7 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.4 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | T617 E618 Q619 S623 D624 Q625 | T617-T621 PolarHBondContact O-N 3.27Å; T617-T621 PolarHBondContact O-OG1 2.88Å; E618-T621 WeakPolarHBondContact O-CB 3.32Å; E618-T621 PolarHBondContact O-N 2.72Å; Q619-T621 VanDerWaalsContact C-N 3.31Å; T621-S623 VanDerWaalsContact C-N 3.33Å; T621-D624 PolarHBondContact O-N 3.25Å; T621-Q625 WeakPolarHBondContact O-CG 3.46Å; T621-Q625 PolarHBondContact O-N 2.69Å |
| 622 | L | 95.9 | Very high | 95.3 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 174.8 | -64.1 | 178.5 | 0 | 0 | 0 | 111.9 | E618 Q619 C620 Q625 E661 | E618-L622 WeakPolarHBondContact O-CG 3.25Å; E618-L622 PolarHBondContact O-N 2.93Å; Q619-L622 PolarHBondContact O-N 2.84Å; C620-L622 PolarHBondContact O-N 3.32Å; L622-Q625 PolarHBondContact O-N 2.79Å; L622-E661 HydrophobicContact CD2-CG 3.88Å |
| 623 | S | 96.5 | Very high | 94.7 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | Q619 C620 T621 Q625 L626 | Q619-S623 WeakPolarHBondContact O-CB 3.46Å; Q619-S623 PolarHBondContact O-N 3.48Å; Q619-S623 PolarHBondContact O-OG 2.76Å; C620-S623 PolarHBondContact O-N 3.01Å; T621-S623 VanDerWaalsContact C-N 3.33Å; S623-Q625 VanDerWaalsContact C-N 3.3Å; S623-Q625 PolarHBondContact O-N 3.02Å; S623-L626 WeakPolarHBondContact O-CB 3.25Å; S623-L626 PolarHBondContact O-N 2.77Å; S623-L626 VanDerWaalsContact O-N 3.11Å |
| 624 | D | 94.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 175 | 177.9 | 85.6 | 0 | 0 | 0 | 111.7 | C620 T621 L626 L627 K629 H630 | C620-D624 PolarHBondContact O-N 3.22Å; T621-D624 PolarHBondContact O-N 3.25Å; D624-L626 PolarHBondContact O-N 3.36Å; D624-L626 VanDerWaalsContact O-N 3.08Å; D624-L627 VanDerWaalsContact O-CB 3.28Å; D624-L627 WeakPolarHBondContact O-CB 3.26Å; D624-L627 WeakPolarHBondContact O-CG 3.24Å; D624-L627 PolarHBondContact O-N 3.5Å; D624-L627 WeakPolarHBondContact OD1-CD1 3.42Å; D624-K629 WeakPolarHBondContact OD1-CE 3.16Å; D624-K629 IonicContact OD1-NZ 3.74Å; D624-K629 PolarHBondContact OD1-NZ 3.28Å; D624-H630 PolarHBondContact O-CD2 3.41Å; D624-H630 PolarHBondContact O-NE2 3.1Å; D624-H630 VanDerWaalsContact O-NE2 3.1Å; D624-H630 IonicContact OD2-CE1 3.05Å; D624-H630 IonicContact OD2-NE2 2.72Å; D624-H630 PolarHBondContact OD2-NE2 3.13Å |
| 625 | Q | 93.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.9 | 177.9 | -69.2 | 174.8 | 21.7 | 0 | 0 | 113.5 | T621 L622 S623 P658 | T621-Q625 WeakPolarHBondContact O-CG 3.46Å; T621-Q625 PolarHBondContact O-N 2.69Å; L622-Q625 PolarHBondContact O-N 2.79Å; S623-Q625 VanDerWaalsContact C-N 3.3Å; S623-Q625 PolarHBondContact O-N 3.02Å; Q625-P658 HydrophobicContact CB-CG 4.38Å |
| 626 | L | 94.9 | Very high | 93.2 | Very high | 122 Ų | 122 | 65.1 Ų | 65.1 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.2 | 177.4 | -56.6 | 177.6 | 0 | 0 | 0 | 113 | S623 D624 P658 | S623-L626 WeakPolarHBondContact O-CB 3.25Å; S623-L626 PolarHBondContact O-N 2.77Å; S623-L626 VanDerWaalsContact O-N 3.11Å; D624-L626 PolarHBondContact O-N 3.36Å; D624-L626 VanDerWaalsContact O-N 3.08Å; L626-P658 HydrophobicContact CD2-CB 3.6Å; L626-P658 HydrophobicContact CD2-CG 3.87Å |
| 627 | L | 94.4 | Very high | 92.5 | Very high | 26 Ų | 26 | 69.8 Ų | 69.8 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -67.8 | 145.5 | -179 | -68.3 | 175.5 | 0 | 0 | 0 | 111.9 | D624 K629 H630 E736 T739 | D624-L627 VanDerWaalsContact O-CB 3.28Å; D624-L627 WeakPolarHBondContact O-CB 3.26Å; D624-L627 WeakPolarHBondContact O-CG 3.24Å; D624-L627 PolarHBondContact O-N 3.5Å; D624-L627 WeakPolarHBondContact OD1-CD1 3.42Å; L627-K629 HydrophobicContact CB-CD 4.46Å; L627-K629 HydrophobicContact CB-CG 4.07Å; L627-K629 PolarHBondContact O-N 2.75Å; L627-H630 PolarHBondContact O-N 3.13Å; L627-H630 VanDerWaalsContact O-N 3.11Å; L627-E736 HydrophobicContact CD1-CG 4Å; L627-T739 HydrophobicContact CD2-CG2 4.5Å |
| 628 | P | 94.3 | Very high | 92 | Very high | 107 Ų | 107 | 69.2 Ų | 69.2 | 70% | 0.695 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -55.3 | -28.3 | -176.5 | -27.9 | 35.3 | 0 | 0 | 0 | 114.9 | H630 C631 | P628-H630 PolarHBondContact O-N 3.4Å; P628-H630 VanDerWaalsContact O-N 3.1Å; P628-C631 WeakPolarHBondContact O-CB 3.41Å; P628-C631 PolarHBondContact O-N 3.01Å |
| 629 | K | 91.1 | Very high | 91.4 | Very high | 97 Ų | 97 | 70.5 Ų | 70.5 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -54.1 | -30.1 | 178.7 | 65.3 | -172.3 | 177.1 | -168.9 | 0 | 113.2 | D624 L627 C631 E736 | D624-K629 WeakPolarHBondContact OD1-CE 3.16Å; D624-K629 IonicContact OD1-NZ 3.74Å; D624-K629 PolarHBondContact OD1-NZ 3.28Å; L627-K629 HydrophobicContact CB-CD 4.46Å; L627-K629 HydrophobicContact CB-CG 4.07Å; L627-K629 PolarHBondContact O-N 2.75Å; K629-C631 VanDerWaalsContact C-N 3.31Å; K629-C631 PolarHBondContact O-N 3.05Å; K629-E736 IonicContact NZ-OE1 3.1Å; K629-E736 PolarHBondContact NZ-OE1 2.95Å; K629-E736 IonicContact NZ-OE2 3.16Å |
| 630 | H | 90.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 72.2 Ų | 72.2 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -78.3 | -11.4 | -180 | -63.5 | -65.6 | 0 | 0 | 0 | 114 | D624 L627 P628 R655 | D624-H630 PolarHBondContact O-CD2 3.41Å; D624-H630 PolarHBondContact O-NE2 3.1Å; D624-H630 VanDerWaalsContact O-NE2 3.1Å; D624-H630 IonicContact OD2-CE1 3.05Å; D624-H630 IonicContact OD2-NE2 2.72Å; D624-H630 PolarHBondContact OD2-NE2 3.13Å; L627-H630 PolarHBondContact O-N 3.13Å; L627-H630 VanDerWaalsContact O-N 3.11Å; P628-H630 PolarHBondContact O-N 3.4Å; P628-H630 VanDerWaalsContact O-N 3.1Å; H630-R655 PolarHBondContact ND1-NH1 3.27Å |
| 631 | C | 90.5 | Very high | 89 | Confident | 67 Ų | 67 | 80 Ų | 80 | 45% | 0.453 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -83.6 | -11 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | P628 K629 K633 T634 I635 | P628-C631 WeakPolarHBondContact O-CB 3.41Å; P628-C631 PolarHBondContact O-N 3.01Å; K629-C631 VanDerWaalsContact C-N 3.31Å; K629-C631 PolarHBondContact O-N 3.05Å; C631-K633 VanDerWaalsContact C-N 3.29Å; C631-K633 PolarHBondContact O-N 3.37Å; C631-T634 WeakPolarHBondContact O-CB 3.35Å; C631-T634 PolarHBondContact O-N 3.08Å; C631-I635 PolarHBondContact O-N 2.97Å; C631-I635 VanDerWaalsContact O-N 3.16Å |
| 632 | A | 89.3 | Confident | 87.1 | Confident | 56 Ų | 56 | 86.2 Ų | 86.2 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -55.8 | -39.9 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | I635 S636 | A632-I635 PolarHBondContact O-N 3.44Å; A632-S636 WeakPolarHBondContact O-CB 3.13Å; A632-S636 PolarHBondContact O-N 3.3Å; A632-S636 PolarHBondContact O-OG 3.4Å |
| 633 | K | 85.8 | Confident | 85.1 | Confident | 86 Ų | 86 | 87.1 Ų | 87.1 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 178.2 | -167.1 | 175 | -170.9 | 169.7 | 0 | 111.9 | C631 S636 Q637 E652 | C631-K633 VanDerWaalsContact C-N 3.29Å; C631-K633 PolarHBondContact O-N 3.37Å; K633-S636 PolarHBondContact O-N 3.09Å; K633-Q637 WeakPolarHBondContact O-CB 3.08Å; K633-Q637 VanDerWaalsContact O-CG 3.27Å; K633-Q637 WeakPolarHBondContact O-CG 3.11Å; K633-Q637 PolarHBondContact O-N 3.24Å; K633-E652 WeakPolarHBondContact CE-OE2 3.11Å; K633-E652 IonicContact NZ-OE2 2.7Å; K633-E652 PolarHBondContact NZ-OE2 2.93Å |
| 634 | T | 86.8 | Confident | 82.8 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 177.7 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | C631 Q637 A638 | C631-T634 WeakPolarHBondContact O-CB 3.35Å; C631-T634 PolarHBondContact O-N 3.08Å; T634-Q637 PolarHBondContact O-N 3.48Å; T634-A638 WeakPolarHBondContact O-CB 3.44Å; T634-A638 PolarHBondContact O-N 3.41Å |
| 635 | I | 89.1 | Confident | 80.6 | Confident | 109 Ų | 109 | 102 Ų | 102 | 56% | 0.559 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.8 | -47.8 | 176.8 | -62.5 | 176.9 | 0 | 0 | 0 | 110.2 | C631 A632 Q637 A638 V639 | C631-I635 PolarHBondContact O-N 2.97Å; C631-I635 VanDerWaalsContact O-N 3.16Å; A632-I635 PolarHBondContact O-N 3.44Å; I635-Q637 VanDerWaalsContact C-N 3.31Å; I635-Q637 PolarHBondContact O-N 3.42Å; I635-A638 PolarHBondContact O-N 3.46Å; I635-A638 VanDerWaalsContact O-N 3.11Å; I635-V639 HydrophobicContact CG2-CG2 4.24Å; I635-V639 WeakPolarHBondContact O-CG2 3.29Å; I635-V639 PolarHBondContact O-N 3.39Å |
| 636 | S | 86.7 | Confident | 78.4 | Confident | 62 Ų | 62 | 103.5 Ų | 103.5 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.5 | -42.6 | -180 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | A632 K633 N640 | A632-S636 WeakPolarHBondContact O-CB 3.13Å; A632-S636 PolarHBondContact O-N 3.3Å; A632-S636 PolarHBondContact O-OG 3.4Å; K633-S636 PolarHBondContact O-N 3.09Å; S636-N640 VanDerWaalsContact O-CB 3.25Å; S636-N640 WeakPolarHBondContact O-CB 3.48Å; S636-N640 VanDerWaalsContact O-CG 3.28Å; S636-N640 PolarHBondContact O-N 2.98Å; S636-N640 PolarHBondContact O-ND2 2.97Å |
| 637 | Q | 83.9 | Confident | 76.2 | Confident | 98 Ų | 98 | 104.1 Ų | 104.1 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.2 | -39.5 | 175.8 | -72.8 | 178 | 2.9 | 0 | 0 | 112.5 | K633 T634 I635 K641 | K633-Q637 WeakPolarHBondContact O-CB 3.08Å; K633-Q637 VanDerWaalsContact O-CG 3.27Å; K633-Q637 WeakPolarHBondContact O-CG 3.11Å; K633-Q637 PolarHBondContact O-N 3.24Å; T634-Q637 PolarHBondContact O-N 3.48Å; I635-Q637 VanDerWaalsContact C-N 3.31Å; I635-Q637 PolarHBondContact O-N 3.42Å; Q637-K641 WeakPolarHBondContact O-CB 3.42Å; Q637-K641 WeakPolarHBondContact O-CG 3.43Å; Q637-K641 PolarHBondContact O-N 3.49Å |
| 638 | A | 85.8 | Confident | 73.8 | Confident | 59 Ų | 59 | 106.2 Ų | 106.2 | 49% | 0.488 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.8 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T634 I635 | T634-A638 WeakPolarHBondContact O-CB 3.44Å; T634-A638 PolarHBondContact O-N 3.41Å; I635-A638 PolarHBondContact O-N 3.46Å; I635-A638 VanDerWaalsContact O-N 3.11Å |
| 639 | V | 84.5 | Confident | 71.4 | Confident | 91 Ų | 91 | 111.1 Ų | 111.1 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.3 | -46.3 | 176 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | I635 K641 K642 | I635-V639 HydrophobicContact CG2-CG2 4.24Å; I635-V639 WeakPolarHBondContact O-CG2 3.29Å; I635-V639 PolarHBondContact O-N 3.39Å; V639-K641 PolarHBondContact O-N 2.93Å; V639-K642 PolarHBondContact O-N 3.47Å; V639-K642 VanDerWaalsContact O-N 3.16Å |
| 640 | N | 77.9 | Confident | 69.1 | Low | 97 Ų | 97 | 116.9 Ų | 116.9 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.4 | -28.6 | -178.4 | -73 | -26.5 | 0 | 0 | 0 | 113.4 | S636 K642 S643 | S636-N640 VanDerWaalsContact O-CB 3.25Å; S636-N640 WeakPolarHBondContact O-CB 3.48Å; S636-N640 VanDerWaalsContact O-CG 3.28Å; S636-N640 PolarHBondContact O-N 2.98Å; S636-N640 PolarHBondContact O-ND2 2.97Å; N640-K642 PolarHBondContact O-N 3.46Å; N640-S643 CarbonylContact O-C 3.24Å; N640-S643 PolarHBondContact O-N 3.48Å; N640-S643 VanDerWaalsContact O-N 3.11Å; N640-S643 PolarHBondContact O-OG 2.92Å |
| 641 | K | 66.1 | Low | 67.1 | Low | 182 Ų | 182 | 117.7 Ų | 117.7 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.4 | -22.3 | 172 | -83.1 | 179.8 | 178.7 | 176.9 | 0 | 113.5 | Q637 V639 | Q637-K641 WeakPolarHBondContact O-CB 3.42Å; Q637-K641 WeakPolarHBondContact O-CG 3.43Å; Q637-K641 PolarHBondContact O-N 3.49Å; V639-K641 PolarHBondContact O-N 2.93Å |
| 642 | K | 56.6 | Low | 65 | Low | 200 Ų | 200 | 121.5 Ų | 121.5 | 87% | 0.87 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.2 | -19 | 173.8 | -75.8 | -175.7 | 176.4 | 179.1 | 0 | 113.4 | V639 N640 | V639-K642 PolarHBondContact O-N 3.47Å; V639-K642 VanDerWaalsContact O-N 3.16Å; N640-K642 PolarHBondContact O-N 3.46Å |
| 643 | S | 53.3 | Low | 63.3 | Low | 60 Ų | 60 | 124.1 Ų | 124.1 | 42% | 0.42 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.3 | 128.4 | 171.4 | 82.1 | 0 | 0 | 0 | 0 | 109.5 | N640 K645 | N640-S643 CarbonylContact O-C 3.24Å; N640-S643 PolarHBondContact O-N 3.48Å; N640-S643 VanDerWaalsContact O-N 3.11Å; N640-S643 PolarHBondContact O-OG 2.92Å; S643-K645 PolarHBondContact O-N 2.93Å |
| 644 | K | 49.2 | Very low | 62 | Low | 222 Ų | 222 | 128.7 Ų | 128.7 | 97% | 0.965 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 49.3 | -178.8 | -70.8 | -178.8 | 176.5 | 176.2 | 0 | 113.1 | ||
| 645 | K | 46.9 | Very low | 61 | Low | 173 Ų | 173 | 132.8 Ų | 132.8 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | -112.8 | 98.7 | 168.6 | -86.4 | -175.2 | 176.6 | 177.7 | 0 | 109.4 | S643 T647 | S643-K645 PolarHBondContact O-N 2.93Å; K645-T647 PolarHBondContact O-N 3.34Å | ||
| 646 | A | 48.6 | Very low | 60.5 | Low | 106 Ų | 106 | 135 Ų | 135 | 88% | 0.876 | 71% | 0.713 | S | S | * | * | trans | -70.8 | 94.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 647 | T | 48.7 | Very low | 60.7 | Low | 134 Ų | 134 | 139.9 Ų | 139.9 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | -132.1 | 83.8 | 163.1 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | K645 | K645-T647 PolarHBondContact O-N 3.34Š| ||
| 648 | G | 44.4 | Very low | 61.1 | Low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | -125.4 | 112.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K650 | G648-K650 PolarHBondContact O-N 2.93Š| ||
| 649 | K | 43.6 | Very low | 61.5 | Low | 209 Ų | 209 | 136.9 Ų | 136.9 | 91% | 0.909 | 72% | 0.716 | S | S | * | * | trans | -57.7 | 116 | 164.8 | -79.8 | 178.1 | 174.5 | 176.3 | 0 | 107.7 | G651 | K649-G651 PolarHBondContact O-N 3.48Š| ||
| 650 | K | 43.2 | Very low | 61.9 | Low | 219 Ų | 219 | 135.4 Ų | 135.4 | 95% | 0.952 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 113.3 | 165.7 | -86.1 | -179.5 | 171.8 | 179.5 | 0 | 107.7 | G648 | G648-K650 PolarHBondContact O-N 2.93Š|
| 651 | G | 48.1 | Very low | 62.6 | Low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.5 | -10.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | K649 | K649-G651 PolarHBondContact O-N 3.48Š|
| 652 | E | 47.1 | Very low | 64.1 | Low | 147 Ų | 147 | 130.6 Ų | 130.6 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 128.3 | 175.5 | -83.2 | -173.2 | 172.4 | 0 | 0 | 111.5 | K633 E654 | K633-E652 WeakPolarHBondContact CE-OE2 3.11Å; K633-E652 IonicContact NZ-OE2 2.7Å; K633-E652 PolarHBondContact NZ-OE2 2.93Å; E652-E654 PolarHBondContact O-N 3.22Å |
| 653 | P | 52.5 | Low | 65.8 | Low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 134.8 | 174.2 | 23.3 | -29.8 | 0 | 0 | 0 | 110.2 | R655 | P653-R655 PolarHBondContact O-N 3.38Š|
| 654 | E | 60 | Low | 67.8 | Low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123.4 | 173.1 | -163.3 | 168.9 | -169 | 0 | 0 | 107.8 | E652 E656 | E652-E654 PolarHBondContact O-N 3.22Å; E654-E656 PolarHBondContact O-N 3.03Å |
| 655 | R | 64.9 | Low | 70 | Confident | 182 Ų | 182 | 128.8 Ų | 128.8 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 128.9 | 176.4 | -84.9 | -175.1 | 177.5 | -178.1 | -3 | 108.3 | H630 P653 | H630-R655 PolarHBondContact ND1-NH1 3.27Å; P653-R655 PolarHBondContact O-N 3.38Å |
| 656 | E | 79 | Confident | 72.2 | Confident | 154 Ų | 154 | 124.5 Ų | 124.5 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 146.4 | 176.7 | -67.4 | -174.5 | 163 | 0 | 0 | 110.4 | E654 | E654-E656 PolarHBondContact O-N 3.03Š|
| 657 | K | 89.4 | Confident | 74.4 | Confident | 165 Ų | 165 | 129.6 Ų | 129.6 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 141 | 179.7 | -69.3 | -173.2 | 177.3 | -178.9 | 0 | 110 | G659 V660 | K657-G659 PolarHBondContact O-N 3.29Å; K657-V660 HydrophobicContact CB-CG2 4.42Å; K657-V660 WeakPolarHBondContact O-CB 3.39Å; K657-V660 VanDerWaalsContact O-CG2 3.23Å; K657-V660 WeakPolarHBondContact O-CG2 3.44Å; K657-V660 PolarHBondContact O-N 3.19Å |
| 658 | P | 94.2 | Very high | 76.6 | Confident | 68 Ų | 68 | 130.3 Ų | 130.3 | 44% | 0.442 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53 | 135.3 | 171.1 | -26 | 34.7 | 0 | 0 | 0 | 111.5 | Q625 L626 | Q625-P658 HydrophobicContact CB-CG 4.38Å; L626-P658 HydrophobicContact CD2-CB 3.6Å; L626-P658 HydrophobicContact CD2-CG 3.87Å |
| 659 | G | 92.8 | Very high | 78.9 | Confident | 27 Ų | 27 | 132.9 Ų | 132.9 | 28% | 0.278 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 102.4 | -17.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K657 E661 S662 M663 | K657-G659 PolarHBondContact O-N 3.29Å; G659-E661 VanDerWaalsContact C-N 3.32Å; G659-E661 VanDerWaalsContact CA-OE1 3.27Å; G659-E661 WeakPolarHBondContact CA-OE1 3.45Å; G659-E661 WeakPolarHBondContact CA-OE2 3.3Å; G659-E661 PolarHBondContact N-OE1 3.43Å; G659-E661 PolarHBondContact N-OE2 3.01Å; G659-S662 PolarHBondContact O-N 2.85Å; G659-M663 WeakPolarHBondContact O-CG 2.99Å; G659-M663 PolarHBondContact O-N 3.44Å |
| 660 | V | 93.9 | Very high | 81.3 | Confident | 60 Ų | 60 | 126.7 Ų | 126.7 | 36% | 0.364 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -66.3 | -36.6 | 176 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | K657 S662 M663 | K657-V660 HydrophobicContact CB-CG2 4.42Å; K657-V660 WeakPolarHBondContact O-CB 3.39Å; K657-V660 VanDerWaalsContact O-CG2 3.23Å; K657-V660 WeakPolarHBondContact O-CG2 3.44Å; K657-V660 PolarHBondContact O-N 3.19Å; V660-S662 PolarHBondContact O-N 3.29Å; V660-M663 WeakPolarHBondContact O-CB 3.42Å; V660-M663 PolarHBondContact O-N 2.95Å |
| 661 | E | 93.1 | Very high | 83.9 | Confident | 88 Ų | 88 | 119.1 Ų | 119.1 | 41% | 0.411 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.1 | -25.7 | 176.3 | 75.6 | -58.1 | 136.1 | 0 | 0 | 112.7 | L622 G659 | L622-E661 HydrophobicContact CD2-CG 3.88Å; G659-E661 VanDerWaalsContact C-N 3.32Å; G659-E661 VanDerWaalsContact CA-OE1 3.27Å; G659-E661 WeakPolarHBondContact CA-OE1 3.45Å; G659-E661 WeakPolarHBondContact CA-OE2 3.3Å; G659-E661 PolarHBondContact N-OE1 3.43Å; G659-E661 PolarHBondContact N-OE2 3.01Å |
| 662 | S | 95.8 | Very high | 86.2 | Confident | 89 Ų | 89 | 119.5 Ų | 119.5 | 62% | 0.622 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -12.6 | 178.3 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | G659 V660 R664 | G659-S662 PolarHBondContact O-N 2.85Å; V660-S662 PolarHBondContact O-N 3.29Å; S662-R664 VanDerWaalsContact C-N 3.26Å; S662-R664 PolarHBondContact O-N 3.1Å |
| 663 | M | 94 | Very high | 88.5 | Confident | 139 Ų | 139 | 115.1 Ų | 115.1 | 69% | 0.685 | 57% | 0.571 | S | S | * | * | trans | -77.8 | 72.2 | 178.7 | -65 | -176.2 | -171.9 | 0 | 0 | 111.6 | G659 V660 K665 | G659-M663 WeakPolarHBondContact O-CG 2.99Å; G659-M663 PolarHBondContact O-N 3.44Å; V660-M663 WeakPolarHBondContact O-CB 3.42Å; V660-M663 PolarHBondContact O-N 2.95Å; M663-K665 PolarHBondContact O-N 3.35Å | ||
| 664 | R | 94 | Very high | 90.6 | Very high | 107 Ų | 107 | 111.6 Ų | 111.6 | 40% | 0.404 | 55% | 0.546 | S | S | . | . | trans | -67.3 | 122.3 | -178.1 | -174.7 | -176.6 | -57.8 | -84.5 | -4.9 | 112.1 | S662 N666 M669 D674 | S662-R664 VanDerWaalsContact C-N 3.26Å; S662-R664 PolarHBondContact O-N 3.1Å; R664-N666 WeakPolarHBondContact CG-O 3.36Å; R664-M669 PolarHBondContact NH1-O 3.02Å; R664-M669 VanDerWaalsContact NH1-O 3.11Å; R664-D674 IonicContact CZ-OD1 2.66Å; R664-D674 IonicContact CZ-OD2 3.28Å; R664-D674 VanDerWaalsContact CZ-OD2 3.26Å; R664-D674 IonicContact NH1-OD1 3.5Å; R664-D674 IonicContact NH1-OD2 3.6Å; R664-D674 PolarHBondContact NH1-OD2 3.2Å; R664-D674 IonicContact NH2-OD1 3.6Å; R664-D674 PolarHBondContact NH2-OD1 2.93Å; R664-D674 IonicContact NH2-OD2 3.7Å; R664-D674 PolarHBondContact NH2-OD2 3.39Å | ||
| 665 | K | 94.9 | Very high | 92.4 | Very high | 199 Ų | 199 | 108.9 Ų | 108.9 | 87% | 0.865 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -81.5 | -40.8 | 172.9 | -63.1 | -179.8 | -178.8 | 174.7 | 0 | 113 | M663 | M663-K665 PolarHBondContact O-N 3.35Š|
| 666 | N | 94.7 | Very high | 93.9 | Very high | 82 Ų | 82 | 100.9 Ų | 100.9 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | trans | -151.2 | 143.5 | -177 | -167.1 | -35.1 | 0 | 0 | 0 | 110.5 | R664 L668 M669 | R664-N666 WeakPolarHBondContact CG-O 3.36Å; N666-L668 VanDerWaalsContact C-N 3.28Å; N666-L668 PolarHBondContact O-N 3.16Å; N666-L668 PolarHBondContact OD1-N 3.47Å; N666-M669 PolarHBondContact O-N 3.07Å | ||
| 667 | R | 94.4 | Very high | 94.7 | Very high | 213 Ų | 213 | 97.8 Ų | 97.8 | 80% | 0.804 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -21.9 | 176.7 | -66.1 | -175.8 | -177.8 | -87.5 | 0.9 | 113.7 | M669 | R667-M669 PolarHBondContact O-N 3.09Š|
| 668 | L | 94 | Very high | 95.1 | Very high | 149 Ų | 149 | 93.3 Ų | 93.3 | 78% | 0.78 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -19.8 | 173.5 | -63 | 177 | 0 | 0 | 0 | 112.6 | N666 V670 | N666-L668 VanDerWaalsContact C-N 3.28Å; N666-L668 PolarHBondContact O-N 3.16Å; N666-L668 PolarHBondContact OD1-N 3.47Å; L668-V670 PolarHBondContact O-N 3.39Å |
| 669 | M | 93.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 90.6 Ų | 90.6 | 62% | 0.616 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -83 | 88.8 | 170.5 | -62.2 | -178.6 | 68.4 | 0 | 0 | 108.7 | R664 N666 R667 T671 | R664-M669 PolarHBondContact NH1-O 3.02Å; R664-M669 VanDerWaalsContact NH1-O 3.11Å; N666-M669 PolarHBondContact O-N 3.07Å; R667-M669 PolarHBondContact O-N 3.09Å; M669-T671 PolarHBondContact O-N 2.94Å |
| 670 | V | 94.8 | Very high | 95.6 | Very high | 79 Ų | 79 | 89.5 Ų | 89.5 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | trans | -84.6 | 110.4 | -177.4 | -172 | 0 | 0 | 0 | 0 | 109.6 | L668 D674 K675 | L668-V670 PolarHBondContact O-N 3.39Å; V670-D674 HydrophobicContact CG1-CB 3.68Å; V670-K675 HydrophobicContact CG1-CD 4.49Å; V670-K675 HydrophobicContact CG1-CG 3.61Å | ||
| 671 | T | 96.6 | Very high | 95.8 | Very high | 60 Ų | 60 | 88.2 Ų | 88.2 | 37% | 0.368 | 44% | 0.439 | S | S | . | . | trans | -74.8 | 171.7 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | M669 L673 D674 K675 | M669-T671 PolarHBondContact O-N 2.94Å; T671-L673 VanDerWaalsContact C-N 3.31Å; T671-L673 PolarHBondContact OG1-N 3.19Å; T671-D674 PolarHBondContact N-OD2 3.2Å; T671-D674 PolarHBondContact O-N 3.33Å; T671-D674 VanDerWaalsContact OG1-CG 3.25Å; T671-D674 PolarHBondContact OG1-N 3.43Å; T671-D674 VanDerWaalsContact OG1-N 3.1Å; T671-D674 PolarHBondContact OG1-OD2 2.74Å; T671-D674 VanDerWaalsContact OG1-OD2 3.05Å; T671-K675 WeakPolarHBondContact O-CG 3.42Å; T671-K675 PolarHBondContact O-N 3.28Å | ||
| 672 | N | 96.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 86.2 Ų | 86.2 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 171.6 | -169.4 | 44.1 | 0 | 0 | 0 | 111.1 | E618 D674 K675 L676 | E618-N672 PolarHBondContact OE1-ND2 2.94Å; N672-D674 VanDerWaalsContact C-N 3.29Å; N672-D674 PolarHBondContact O-N 3.27Å; N672-K675 WeakPolarHBondContact O-CB 3.27Å; N672-K675 PolarHBondContact O-N 2.77Å; N672-K675 VanDerWaalsContact O-N 3.09Å; N672-L676 WeakPolarHBondContact O-CG 3.4Å; N672-L676 PolarHBondContact O-N 3.2Å |
| 673 | L | 95.8 | Very high | 96.2 | Very high | 55 Ų | 55 | 82 Ų | 82 | 29% | 0.288 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 179 | -165.5 | 64.5 | 0 | 0 | 0 | 112.4 | I615 E618 T671 L676 H677 | I615-L673 HydrophobicContact CG1-CD1 4.41Å; I615-L673 HydrophobicContact CG2-CD1 4.17Å; E618-L673 HydrophobicContact CB-CD1 4.25Å; T671-L673 VanDerWaalsContact C-N 3.31Å; T671-L673 PolarHBondContact OG1-N 3.19Å; L673-L676 PolarHBondContact O-N 3.4Å; L673-H677 WeakPolarHBondContact O-CB 3.43Å; L673-H677 PolarHBondContact O-N 3.21Å |
| 674 | D | 96.5 | Very high | 96.4 | Very high | 37 Ų | 37 | 75.4 Ų | 75.4 | 20% | 0.198 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 173.8 | -68.6 | -38.9 | 0 | 0 | 0 | 112.8 | R664 V670 T671 N672 T678 | R664-D674 IonicContact CZ-OD1 2.66Å; R664-D674 IonicContact CZ-OD2 3.28Å; R664-D674 VanDerWaalsContact CZ-OD2 3.26Å; R664-D674 IonicContact NH1-OD1 3.5Å; R664-D674 IonicContact NH1-OD2 3.6Å; R664-D674 PolarHBondContact NH1-OD2 3.2Å; R664-D674 IonicContact NH2-OD1 3.6Å; R664-D674 PolarHBondContact NH2-OD1 2.93Å; R664-D674 IonicContact NH2-OD2 3.7Å; R664-D674 PolarHBondContact NH2-OD2 3.39Å; V670-D674 HydrophobicContact CG1-CB 3.68Å; T671-D674 PolarHBondContact N-OD2 3.2Å; T671-D674 PolarHBondContact O-N 3.33Å; T671-D674 VanDerWaalsContact OG1-CG 3.25Å; T671-D674 PolarHBondContact OG1-N 3.43Å; T671-D674 VanDerWaalsContact OG1-N 3.1Å; T671-D674 PolarHBondContact OG1-OD2 2.74Å; T671-D674 VanDerWaalsContact OG1-OD2 3.05Å; N672-D674 VanDerWaalsContact C-N 3.29Å; N672-D674 PolarHBondContact O-N 3.27Å; D674-T678 VanDerWaalsContact O-CB 3.3Å; D674-T678 WeakPolarHBondContact O-CB 3.39Å; D674-T678 PolarHBondContact O-N 3.39Å; D674-T678 PolarHBondContact O-OG1 2.83Å |
| 675 | K | 97.3 | Very high | 96.6 | Very high | 124 Ų | 124 | 73.5 Ų | 73.5 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 179.3 | -64.7 | 175.4 | -173.5 | 174.3 | 0 | 110.4 | V670 T671 N672 T678 A679 | V670-K675 HydrophobicContact CG1-CD 4.49Å; V670-K675 HydrophobicContact CG1-CG 3.61Å; T671-K675 WeakPolarHBondContact O-CG 3.42Å; T671-K675 PolarHBondContact O-N 3.28Å; N672-K675 WeakPolarHBondContact O-CB 3.27Å; N672-K675 PolarHBondContact O-N 2.77Å; N672-K675 VanDerWaalsContact O-N 3.09Å; K675-T678 PolarHBondContact O-N 3Å; K675-A679 VanDerWaalsContact O-CB 3.3Å; K675-A679 WeakPolarHBondContact O-CB 3.38Å; K675-A679 PolarHBondContact O-N 3.19Å |
| 676 | L | 97.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | 179.3 | -67.4 | 173.9 | 0 | 0 | 0 | 111.4 | L611 D614 I615 E618 N672 L673 A679 L680 | L611-L676 HydrophobicContact CD2-CD2 3.83Å; D614-L676 HydrophobicContact CB-CD1 3.8Å; D614-L676 HydrophobicContact CB-CD2 3.84Å; D614-L676 HydrophobicContact CB-CG 4.49Å; I615-L676 HydrophobicContact CD1-CB 4.05Å; I615-L676 HydrophobicContact CG1-CB 3.64Å; I615-L676 HydrophobicContact CG1-CD1 4.05Å; I615-L676 HydrophobicContact CG1-CG 4.43Å; E618-L676 HydrophobicContact CG-CD1 4.35Å; N672-L676 WeakPolarHBondContact O-CG 3.4Å; N672-L676 PolarHBondContact O-N 3.2Å; L673-L676 PolarHBondContact O-N 3.4Å; L676-A679 PolarHBondContact O-N 3.19Å; L676-L680 WeakPolarHBondContact O-CB 3.24Å; L676-L680 PolarHBondContact O-N 3.05Å |
| 677 | H | 95.8 | Very high | 97 | Very high | 90 Ų | 90 | 60.3 Ų | 60.3 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | -179.2 | -168.9 | -70.5 | 0 | 0 | 0 | 112.1 | L673 L680 S681 Y754 | L673-H677 WeakPolarHBondContact O-CB 3.43Å; L673-H677 PolarHBondContact O-N 3.21Å; H677-L680 PolarHBondContact O-N 2.87Å; H677-S681 WeakPolarHBondContact O-CB 3.44Å; H677-S681 PolarHBondContact O-N 3.33Å; H677-S681 PolarHBondContact O-OG 3.18Å; H677-Y754 PolarHBondContact CE1-OH 2.99Å; H677-Y754 PolarHBondContact NE2-OH 3.28Å |
| 678 | T | 97.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -51 | 175.7 | -56 | 0 | 0 | 0 | 0 | 110.1 | D674 K675 L680 S681 E682 | D674-T678 VanDerWaalsContact O-CB 3.3Å; D674-T678 WeakPolarHBondContact O-CB 3.39Å; D674-T678 PolarHBondContact O-N 3.39Å; D674-T678 PolarHBondContact O-OG1 2.83Å; K675-T678 PolarHBondContact O-N 3Å; T678-L680 VanDerWaalsContact C-N 3.31Å; T678-L680 PolarHBondContact O-N 3.38Å; T678-S681 PolarHBondContact O-N 3.49Å; T678-S681 PolarHBondContact O-OG 2.84Å; T678-E682 HydrophobicContact CG2-CG 4.45Å; T678-E682 WeakPolarHBondContact O-CG 3.2Å; T678-E682 PolarHBondContact O-N 2.79Å |
| 679 | A | 98.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P558 L611 K675 L676 L683 | P558-A679 HydrophobicContact CB-CB 4.06Å; P558-A679 HydrophobicContact CG-CB 4.03Å; L611-A679 HydrophobicContact CD1-CB 3.88Å; L611-A679 HydrophobicContact CD2-CB 3.96Å; K675-A679 VanDerWaalsContact O-CB 3.3Å; K675-A679 WeakPolarHBondContact O-CB 3.38Å; K675-A679 PolarHBondContact O-N 3.19Å; L676-A679 PolarHBondContact O-N 3.19Å; A679-L683 WeakPolarHBondContact O-CB 3.24Å; A679-L683 PolarHBondContact O-N 3.24Å; A679-L683 VanDerWaalsContact O-N 3.1Å |
| 680 | L | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -49.3 | 177.2 | 178.6 | 61.1 | 0 | 0 | 0 | 110.9 | A608 L611 I612 I615 L676 H677 T678 E682 L683 C684 I751 | A608-L680 HydrophobicContact CB-CD1 4.37Å; L611-L680 HydrophobicContact CB-CB 4.37Å; L611-L680 HydrophobicContact CB-CD1 4.41Å; L611-L680 HydrophobicContact CD1-CB 4.42Å; I612-L680 HydrophobicContact CD1-CD1 4.03Å; I612-L680 HydrophobicContact CG1-CD1 3.72Å; I612-L680 HydrophobicContact CG1-CD2 3.86Å; I612-L680 HydrophobicContact CG1-CG 4.47Å; I615-L680 HydrophobicContact CD1-CB 4.32Å; I615-L680 HydrophobicContact CD1-CD2 3.64Å; L676-L680 WeakPolarHBondContact O-CB 3.24Å; L676-L680 PolarHBondContact O-N 3.05Å; H677-L680 PolarHBondContact O-N 2.87Å; T678-L680 VanDerWaalsContact C-N 3.31Å; T678-L680 PolarHBondContact O-N 3.38Å; L680-E682 VanDerWaalsContact C-N 3.34Å; L680-E682 PolarHBondContact O-N 2.82Å; L680-L683 PolarHBondContact O-N 2.82Å; L680-C684 VanDerWaalsContact CD1-SG 3.59Å; L680-C684 VanDerWaalsContact O-CB 3.31Å; L680-C684 WeakPolarHBondContact O-CB 3.38Å; L680-C684 PolarHBondContact O-N 2.96Å; L680-C684 PolarHBondContact O-SG 2.7Å; L680-C684 VanDerWaalsContact O-SG 3.36Å; L680-I751 HydrophobicContact CD2-CD1 3.85Å |
| 681 | S | 98.3 | Very high | 97.6 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | -178.8 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | H677 T678 F685 | H677-S681 WeakPolarHBondContact O-CB 3.44Å; H677-S681 PolarHBondContact O-N 3.33Å; H677-S681 PolarHBondContact O-OG 3.18Å; T678-S681 PolarHBondContact O-N 3.49Å; T678-S681 PolarHBondContact O-OG 2.84Å; S681-F685 PolarHBondContact O-N 2.86Å |
| 682 | E | 98.5 | Very high | 97.6 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67 | -46.4 | 177.8 | -66.4 | -68.8 | -169.7 | 0 | 0 | 111.3 | P558 R562 T678 L680 C684 F685 S686 | P558-E682 VanDerWaalsContact O-CB 3.29Å; P558-E682 WeakPolarHBondContact O-CB 3.31Å; P558-E682 WeakPolarHBondContact O-CG 3.39Å; R562-E682 VanDerWaalsContact CA-O 3.3Å; R562-E682 WeakPolarHBondContact CA-O 3.35Å; R562-E682 HydrophobicContact CB-CB 4.21Å; R562-E682 WeakPolarHBondContact CB-OE2 3.48Å; R562-E682 WeakPolarHBondContact CD-OE2 3.38Å; R562-E682 VanDerWaalsContact CG-OE2 3.24Å; R562-E682 WeakPolarHBondContact CG-OE2 3.34Å; R562-E682 IonicContact CZ-OE2 3.26Å; R562-E682 IonicContact NE-OE2 3.1Å; R562-E682 IonicContact NH1-OE2 2.73Å; R562-E682 PolarHBondContact NH1-OE2 2.64Å; T678-E682 HydrophobicContact CG2-CG 4.45Å; T678-E682 WeakPolarHBondContact O-CG 3.2Å; T678-E682 PolarHBondContact O-N 2.79Å; L680-E682 VanDerWaalsContact C-N 3.34Å; L680-E682 PolarHBondContact O-N 2.82Å; E682-C684 PolarHBondContact O-N 3.42Å; E682-F685 WeakPolarHBondContact O-CB 3.3Å; E682-F685 PolarHBondContact O-N 3.31Å; E682-S686 PolarHBondContact O-N 3.15Å |
| 683 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -38.1 | 178.5 | -177.4 | 57.3 | 0 | 0 | 0 | 112.3 | L555 M604 Q607 A608 L611 A679 L680 F685 S686 I687 | L555-L683 HydrophobicContact CD2-CD1 3.77Å; M604-L683 HydrophobicContact CB-CD1 4.35Å; M604-L683 HydrophobicContact CG-CD1 4.31Å; Q607-L683 HydrophobicContact CB-CD2 3.8Å; Q607-L683 HydrophobicContact CG-CD2 3.78Å; A608-L683 HydrophobicContact CB-CD2 3.92Å; A608-L683 HydrophobicContact CB-CG 4.42Å; L611-L683 HydrophobicContact CD1-CD2 4.44Å; A679-L683 WeakPolarHBondContact O-CB 3.24Å; A679-L683 PolarHBondContact O-N 3.24Å; A679-L683 VanDerWaalsContact O-N 3.1Å; L680-L683 PolarHBondContact O-N 2.82Å; L683-F685 VanDerWaalsContact C-N 3.32Å; L683-F685 PolarHBondContact O-N 3.31Å; L683-S686 WeakPolarHBondContact O-CB 3.46Å; L683-S686 PolarHBondContact O-N 3.43Å; L683-S686 VanDerWaalsContact O-N 3.11Å; L683-I687 HydrophobicContact CG-CD1 4.16Å; L683-I687 WeakPolarHBondContact O-CG1 3.24Å; L683-I687 PolarHBondContact O-N 3.17Å |
| 684 | C | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -32.5 | 176.4 | -75.6 | 0 | 0 | 0 | 0 | 112.7 | L680 E682 S686 I687 N688 Y754 V755 | L680-C684 VanDerWaalsContact CD1-SG 3.59Å; L680-C684 VanDerWaalsContact O-CB 3.31Å; L680-C684 WeakPolarHBondContact O-CB 3.38Å; L680-C684 PolarHBondContact O-N 2.96Å; L680-C684 PolarHBondContact O-SG 2.7Å; L680-C684 VanDerWaalsContact O-SG 3.36Å; E682-C684 PolarHBondContact O-N 3.42Å; C684-S686 VanDerWaalsContact C-N 3.25Å; C684-S686 PolarHBondContact O-N 3.34Å; C684-I687 PolarHBondContact O-N 3.14Å; C684-N688 WeakPolarHBondContact O-CB 3.42Å; C684-N688 PolarHBondContact O-N 3.35Å; C684-Y754 HydrophobicContact CB-CG 4.27Å; C684-V755 HydrophobicContact CB-CG2 3.71Å |
| 685 | F | 98.8 | Very high | 97.8 | Very high | 67 Ų | 67 | 40 Ų | 40 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.5 | -45.7 | 169.4 | 171.5 | -91.8 | 0 | 0 | 0 | 110.7 | F408 R562 S681 E682 L683 N688 Y689 | F408-F685 HydrophobicContact CE2-CE1 4.42Å; F408-F685 AromaticContact CZ-CE1 3.94Å; F408-F685 HydrophobicContact CZ-CE1 3.94Å; F408-F685 HydrophobicContact CZ-CZ 4.32Å; R562-F685 HydrophobicContact CG-CD1 3.44Å; R562-F685 VanDerWaalsContact CG-CD1 3.44Å; R562-F685 HydrophobicContact CG-CE1 3.94Å; R562-F685 HydrophobicContact CG-CG 4.21Å; R562-F685 WeakPolarHBondContact O-CD1 3.45Å; S681-F685 PolarHBondContact O-N 2.86Å; E682-F685 WeakPolarHBondContact O-CB 3.3Å; E682-F685 PolarHBondContact O-N 3.31Å; L683-F685 VanDerWaalsContact C-N 3.32Å; L683-F685 PolarHBondContact O-N 3.31Å; F685-N688 PolarHBondContact O-N 3.06Å; F685-Y689 HydrophobicContact CE1-CD2 4.23Å; F685-Y689 HydrophobicContact CZ-CD2 4.07Å; F685-Y689 WeakPolarHBondContact O-CA 3.19Å; F685-Y689 WeakPolarHBondContact O-CB 3.39Å; F685-Y689 PolarHBondContact O-N 2.97Å |
| 686 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 178.1 | -165 | 0 | 0 | 0 | 0 | 112.5 | S561 R562 S564 I565 M604 E682 L683 C684 N688 Y689 | S561-S686 WeakPolarHBondContact O-CB 3.36Å; R562-S686 WeakPolarHBondContact O-CB 3.46Å; S564-S686 PolarHBondContact N-OG 3.02Å; S564-S686 WeakPolarHBondContact OG-CB 3.41Å; S564-S686 PolarHBondContact OG-OG 3.4Å; I565-S686 WeakPolarHBondContact CB-O 3.41Å; I565-S686 VanDerWaalsContact CB-OG 3.31Å; I565-S686 WeakPolarHBondContact CB-OG 3.25Å; I565-S686 PolarHBondContact N-OG 2.98Å; M604-S686 WeakPolarHBondContact CE-OG 3.35Å; E682-S686 PolarHBondContact O-N 3.15Å; L683-S686 WeakPolarHBondContact O-CB 3.46Å; L683-S686 PolarHBondContact O-N 3.43Å; L683-S686 VanDerWaalsContact O-N 3.11Å; C684-S686 VanDerWaalsContact C-N 3.25Å; C684-S686 PolarHBondContact O-N 3.34Å; S686-N688 VanDerWaalsContact C-N 3.34Å; S686-N688 PolarHBondContact O-N 3.35Å; S686-Y689 WeakPolarHBondContact O-CB 3.23Å; S686-Y689 PolarHBondContact O-N 3.09Å |
| 687 | I | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 178.8 | -66.7 | 169.5 | 0 | 0 | 0 | 111.6 | M604 A608 L683 C684 P702 L706 V755 | M604-I687 HydrophobicContact CB-CG1 4.37Å; M604-I687 HydrophobicContact CE-CG1 3.9Å; A608-I687 HydrophobicContact CB-CD1 3.83Å; L683-I687 HydrophobicContact CG-CD1 4.16Å; L683-I687 WeakPolarHBondContact O-CG1 3.24Å; L683-I687 PolarHBondContact O-N 3.17Å; C684-I687 PolarHBondContact O-N 3.14Å; I687-P702 HydrophobicContact CG2-CB 4.4Å; I687-P702 WeakPolarHBondContact O-CB 3.3Å; I687-L706 HydrophobicContact CD1-CD2 4.34Å; I687-L706 HydrophobicContact CG2-CB 4.5Å; I687-L706 HydrophobicContact CG2-CD2 4.37Å; I687-V755 HydrophobicContact CG2-CG1 4.23Å |
| 688 | N | 98.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -90.9 | -3.2 | -178.6 | -162.1 | 53 | 0 | 0 | 0 | 113.5 | C684 F685 S686 V690 Y754 V755 T756 | C684-N688 WeakPolarHBondContact O-CB 3.42Å; C684-N688 PolarHBondContact O-N 3.35Å; F685-N688 PolarHBondContact O-N 3.06Å; S686-N688 VanDerWaalsContact C-N 3.34Å; S686-N688 PolarHBondContact O-N 3.35Å; N688-V690 PolarHBondContact O-N 2.89Å; N688-Y754 WeakPolarHBondContact CB-O 3.43Å; N688-Y754 PolarHBondContact ND2-O 3.21Å; N688-V755 HydrophobicContact CB-CB 4.38Å; N688-V755 HydrophobicContact CB-CG1 4.08Å; N688-V755 HydrophobicContact CB-CG2 4.35Å; N688-T756 PolarHBondContact OD1-N 3.11Å; N688-T756 PolarHBondContact OD1-OG1 3.35Å; N688-T756 VanDerWaalsContact OD1-OG1 3.05Å |
| 689 | Y | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 22% | 0.22 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -58.9 | -45.2 | -172.5 | 173 | -103.2 | 0 | 0 | 0 | 112.9 | F408 E412 I565 L569 F685 S686 | F408-Y689 HydrophobicContact CE2-CD1 4.2Å; F408-Y689 AromaticContact CE2-CD2 3.86Å; F408-Y689 HydrophobicContact CE2-CD2 3.86Å; F408-Y689 HydrophobicContact CE2-CE1 4.06Å; F408-Y689 AromaticContact CE2-CE2 3.73Å; F408-Y689 HydrophobicContact CE2-CE2 3.73Å; F408-Y689 HydrophobicContact CE2-CG 4.1Å; F408-Y689 AromaticContact CE2-CZ 3.82Å; F408-Y689 AromaticContact CZ-CD2 3.78Å; F408-Y689 HydrophobicContact CZ-CD2 3.78Å; F408-Y689 AromaticContact CZ-CE2 3.42Å; F408-Y689 HydrophobicContact CZ-CE2 3.42Å; F408-Y689 VanDerWaalsContact CZ-CE2 3.42Å; F408-Y689 HydrophobicContact CZ-CG 4.47Å; F408-Y689 AromaticContact CZ-CZ 3.83Å; E412-Y689 VanDerWaalsContact CD-OH 3.29Å; E412-Y689 WeakPolarHBondContact CG-OH 3.36Å; E412-Y689 WeakPolarHBondContact OE1-CE2 3.35Å; E412-Y689 PolarHBondContact OE1-OH 3.04Å; I565-Y689 HydrophobicContact CG1-CD1 4.2Å; I565-Y689 HydrophobicContact CG2-CD1 3.72Å; I565-Y689 HydrophobicContact CG2-CE1 4.44Å; I565-Y689 HydrophobicContact CG2-CG 4.04Å; L569-Y689 HydrophobicContact CD1-CE1 4.2Å; F685-Y689 HydrophobicContact CE1-CD2 4.23Å; F685-Y689 HydrophobicContact CZ-CD2 4.07Å; F685-Y689 WeakPolarHBondContact O-CA 3.19Å; F685-Y689 WeakPolarHBondContact O-CB 3.39Å; F685-Y689 PolarHBondContact O-N 2.97Å; S686-Y689 WeakPolarHBondContact O-CB 3.23Å; S686-Y689 PolarHBondContact O-N 3.09Å |
| 690 | V | 96.5 | Very high | 97.9 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | trans | -124.6 | 136.4 | 178.7 | 71 | 0 | 0 | 0 | 0 | 110.1 | I565 N688 N692 | I565-V690 HydrophobicContact CD1-CG1 4.26Å; I565-V690 HydrophobicContact CG1-CG1 4.18Å; N688-V690 PolarHBondContact O-N 2.89Å; V690-N692 WeakPolarHBondContact CG2-O 3.41Å; V690-N692 PolarHBondContact O-N 3.4Å | ||
| 691 | P | 96.9 | Very high | 97.9 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -62.6 | -42.5 | 179.8 | -24.6 | 34.3 | 0 | 0 | 0 | 113.3 | T701 R703 | P691-T701 WeakPolarHBondContact O-CG2 3.33Å; P691-R703 PolarHBondContact O-NH1 3.25Å |
| 692 | N | 95.9 | Very high | 97.9 | Very high | 74 Ų | 74 | 46 Ų | 46 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | trans | -155.2 | 163.1 | 176.3 | 58.1 | 54.9 | 0 | 0 | 0 | 110.1 | V690 T699 F700 | V690-N692 WeakPolarHBondContact CG2-O 3.41Å; V690-N692 PolarHBondContact O-N 3.4Å; N692-T699 HydrophobicContact CB-CG2 3.83Å; N692-F700 CarbonylContact C-O 3.28Å; N692-F700 WeakPolarHBondContact CA-O 3.42Å; N692-F700 VanDerWaalsContact CB-O 3.3Å; N692-F700 WeakPolarHBondContact CB-O 3.39Å | ||
| 693 | L | 95.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.2 | 169 | 65.4 | 146.1 | 0 | 0 | 0 | 110.7 | P568 L569 L601 V695 F700 P702 | P568-L693 HydrophobicContact CB-CD1 4.14Å; P568-L693 HydrophobicContact CB-CD2 4.49Å; P568-L693 VanDerWaalsContact O-CD1 3.31Å; P568-L693 WeakPolarHBondContact O-CD1 3.4Å; L569-L693 HydrophobicContact CD2-CB 4.14Å; L569-L693 HydrophobicContact CD2-CD1 4.35Å; L601-L693 HydrophobicContact CD1-CD2 4.38Å; L693-V695 HydrophobicContact CD1-CG2 3.63Å; L693-V695 HydrophobicContact CG-CG2 4.4Å; L693-F700 HydrophobicContact CD2-CB 4.14Å; L693-F700 HydrophobicContact CG-CB 4.24Å; L693-F700 PolarHBondContact N-O 2.9Å; L693-F700 PolarHBondContact O-N 3.38Å; L693-P702 HydrophobicContact CD2-CG 4.16Å |
| 694 | V | 97.9 | Very high | 97.8 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 119.1 | 177.4 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | H698 | V694-H698 CarbonylContact C-O 3.12Å; V694-H698 WeakPolarHBondContact CA-O 3.47Å |
| 695 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 113.8 | 176.2 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | C571 A572 S593 L594 C597 L693 E697 H698 F700 | C571-V695 HydrophobicContact CB-CG1 4.03Å; C571-V695 HydrophobicContact CB-CG2 4.2Å; A572-V695 HydrophobicContact CB-CG2 4.33Å; S593-V695 WeakPolarHBondContact OG-CG1 3.32Å; L594-V695 HydrophobicContact CD2-CB 4.33Å; L594-V695 HydrophobicContact CD2-CG1 4.16Å; L594-V695 VanDerWaalsContact CD2-O 3.27Å; L594-V695 WeakPolarHBondContact CD2-O 3.28Å; C597-V695 HydrophobicContact CB-CG2 4.33Å; L693-V695 HydrophobicContact CD1-CG2 3.63Å; L693-V695 HydrophobicContact CG-CG2 4.4Å; V695-E697 VanDerWaalsContact C-N 3.35Å; V695-E697 PolarHBondContact O-N 3.08Å; V695-H698 PolarHBondContact N-O 2.72Å; V695-H698 WeakPolarHBondContact O-CB 3.41Å; V695-H698 PolarHBondContact O-N 3.14Å; V695-F700 HydrophobicContact CB-CD2 4.3Å; V695-F700 HydrophobicContact CB-CE2 4.06Å; V695-F700 HydrophobicContact CG2-CD2 4.34Å |
| 696 | W | 97.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 51 Ų | 51 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 56.7 | -177.9 | -172.3 | 33 | 0 | 0 | 0 | 112.2 | M575 H587 D591 L594 H698 | M575-W696 HydrophobicContact CG-CB 4.24Å; M575-W696 HydrophobicContact CG-CG 4.32Å; M575-W696 HydrophobicContact SD-CB 4.4Å; M575-W696 HydrophobicContact SD-CD2 4.45Å; M575-W696 HydrophobicContact SD-CG 3.96Å; H587-W696 AromaticContact CD2-CH2 4Å; H587-W696 AromaticContact CD2-CZ2 3.88Å; D591-W696 WeakPolarHBondContact OD1-CZ3 3.49Å; L594-W696 HydrophobicContact CD1-CE3 3.57Å; L594-W696 HydrophobicContact CD1-CZ3 3.83Å; L594-W696 HydrophobicContact CD2-CB 4.47Å; L594-W696 HydrophobicContact CG-CE3 3.91Å; W696-H698 PolarHBondContact O-N 3.19Å; W696-H698 PolarHBondContact O-ND1 3.27Å |
| 697 | E | 96.4 | Very high | 97.8 | Very high | 167 Ų | 167 | 52 Ų | 52 | 78% | 0.78 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 0.7 | -177.6 | -48.8 | -50.3 | 122.9 | 0 | 0 | 116.5 | V695 | V695-E697 VanDerWaalsContact C-N 3.35Å; V695-E697 PolarHBondContact O-N 3.08Å |
| 698 | H | 98.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 54.5 Ų | 54.5 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134.5 | 175 | -65.3 | 68 | 0 | 0 | 0 | 110.5 | L594 V694 V695 W696 F700 | L594-H698 HydrophobicContact CD2-CB 3.72Å; V694-H698 CarbonylContact C-O 3.12Å; V694-H698 WeakPolarHBondContact CA-O 3.47Å; V695-H698 PolarHBondContact N-O 2.72Å; V695-H698 WeakPolarHBondContact O-CB 3.41Å; V695-H698 PolarHBondContact O-N 3.14Å; W696-H698 PolarHBondContact O-N 3.19Å; W696-H698 PolarHBondContact O-ND1 3.27Å; H698-F700 HydrophobicContact CB-CD2 4.49Å; H698-F700 HydrophobicContact CB-CE2 3.84Å |
| 699 | T | 98.4 | Very high | 97.7 | Very high | 90 Ų | 90 | 53 Ų | 53 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 124 | 179.1 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | N692 | N692-T699 HydrophobicContact CB-CG2 3.83Å |
| 700 | F | 98.5 | Very high | 97.7 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135 | 174.9 | -68.1 | -97.3 | 0 | 0 | 0 | 110.4 | L594 C597 N598 L601 N692 L693 V695 H698 Y705 | L594-F700 HydrophobicContact CB-CZ 4.4Å; L594-F700 HydrophobicContact CD2-CE2 3.74Å; L594-F700 HydrophobicContact CD2-CZ 3.92Å; C597-F700 HydrophobicContact CB-CE1 4.42Å; C597-F700 HydrophobicContact CB-CE2 4.4Å; C597-F700 HydrophobicContact CB-CZ 4.28Å; N598-F700 HydrophobicContact CB-CE1 4.06Å; L601-F700 HydrophobicContact CD1-CB 3.71Å; L601-F700 HydrophobicContact CD1-CD1 4.07Å; L601-F700 HydrophobicContact CD1-CG 4.25Å; N692-F700 CarbonylContact C-O 3.28Å; N692-F700 WeakPolarHBondContact CA-O 3.42Å; N692-F700 VanDerWaalsContact CB-O 3.3Å; N692-F700 WeakPolarHBondContact CB-O 3.39Å; L693-F700 HydrophobicContact CD2-CB 4.14Å; L693-F700 HydrophobicContact CG-CB 4.24Å; L693-F700 PolarHBondContact N-O 2.9Å; L693-F700 PolarHBondContact O-N 3.38Å; V695-F700 HydrophobicContact CB-CD2 4.3Å; V695-F700 HydrophobicContact CB-CE2 4.06Å; V695-F700 HydrophobicContact CG2-CD2 4.34Å; H698-F700 HydrophobicContact CB-CD2 4.49Å; H698-F700 HydrophobicContact CB-CE2 3.84Å; F700-Y705 WeakPolarHBondContact CD1-OH 3.43Å |
| 701 | T | 98.4 | Very high | 97.8 | Very high | 36 Ų | 36 | 51.4 Ų | 51.4 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | trans | -119.8 | 98 | -177.1 | -52.7 | 0 | 0 | 0 | 0 | 109.8 | P691 R703 E704 | P691-T701 WeakPolarHBondContact O-CG2 3.33Å; T701-R703 VanDerWaalsContact C-N 3.34Å; T701-R703 HydrophobicContact CG2-CG 3.84Å; T701-R703 PolarHBondContact O-N 3.19Å; T701-E704 HydrophobicContact CG2-CG 3.62Å; T701-E704 PolarHBondContact O-N 3.16Å; T701-E704 VanDerWaalsContact O-N 3.12Å | ||
| 702 | P | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54 | -41.5 | -170.9 | -29.8 | 35.8 | 0 | 0 | 0 | 115.2 | I565 L601 I687 L693 E704 Y705 | I565-P702 HydrophobicContact CD1-CG 4.15Å; L601-P702 HydrophobicContact CD1-CG 4.5Å; L601-P702 HydrophobicContact CD2-CB 3.88Å; L601-P702 HydrophobicContact CD2-CG 3.79Å; I687-P702 HydrophobicContact CG2-CB 4.4Å; I687-P702 WeakPolarHBondContact O-CB 3.3Å; L693-P702 HydrophobicContact CD2-CG 4.16Å; P702-E704 VanDerWaalsContact C-N 3.27Å; P702-E704 PolarHBondContact O-N 3.07Å; P702-Y705 WeakPolarHBondContact O-CB 3.35Å; P702-Y705 PolarHBondContact O-N 2.73Å |
| 703 | R | 97.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 25% | 0.253 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64 | -25.2 | -179.1 | 58.5 | 170.9 | 177 | -97.1 | -4 | 114.6 | P691 T701 L706 T707 V755 T756 I757 | P691-R703 PolarHBondContact O-NH1 3.25Å; T701-R703 VanDerWaalsContact C-N 3.34Å; T701-R703 HydrophobicContact CG2-CG 3.84Å; T701-R703 PolarHBondContact O-N 3.19Å; R703-L706 PolarHBondContact O-N 3.4Å; R703-T707 PolarHBondContact O-N 3.48Å; R703-T707 PolarHBondContact O-OG1 3.35Å; R703-V755 HydrophobicContact CB-CG1 3.98Å; R703-T756 VanDerWaalsContact CD-O 3.26Å; R703-T756 WeakPolarHBondContact CD-O 3.24Å; R703-I757 HydrophobicContact CB-CD1 4.05Å; R703-I757 HydrophobicContact CB-CG1 3.92Å |
| 704 | E | 97.9 | Very high | 98 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.4 | -34.6 | 179 | -61.8 | -57.6 | 141.3 | 0 | 0 | 111.1 | T701 P702 L706 T707 S708 | T701-E704 HydrophobicContact CG2-CG 3.62Å; T701-E704 PolarHBondContact O-N 3.16Å; T701-E704 VanDerWaalsContact O-N 3.12Å; P702-E704 VanDerWaalsContact C-N 3.27Å; P702-E704 PolarHBondContact O-N 3.07Å; E704-L706 VanDerWaalsContact C-N 3.33Å; E704-L706 PolarHBondContact O-N 3.41Å; E704-T707 PolarHBondContact O-N 2.96Å; E704-S708 WeakPolarHBondContact O-CB 3.44Å; E704-S708 PolarHBondContact O-N 3.13Å |
| 705 | Y | 98.6 | Very high | 98 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 18% | 0.184 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 172.5 | -70.6 | -98.4 | 0 | 0 | 0 | 110.7 | N598 L601 D602 F700 P702 H709 | N598-Y705 WeakPolarHBondContact OD1-CE1 3.36Å; N598-Y705 PolarHBondContact OD1-OH 2.97Å; L601-Y705 HydrophobicContact CB-CD1 4.3Å; L601-Y705 HydrophobicContact CB-CD2 3.93Å; L601-Y705 HydrophobicContact CB-CE1 4.3Å; L601-Y705 HydrophobicContact CB-CE2 3.94Å; L601-Y705 HydrophobicContact CB-CG 4.12Å; L601-Y705 HydrophobicContact CD1-CD2 4.28Å; L601-Y705 HydrophobicContact CD1-CE2 3.78Å; D602-Y705 HydrophobicContact CB-CD1 4.08Å; D602-Y705 HydrophobicContact CB-CE1 4.28Å; F700-Y705 WeakPolarHBondContact CD1-OH 3.43Å; P702-Y705 WeakPolarHBondContact O-CB 3.35Å; P702-Y705 PolarHBondContact O-N 2.73Å; Y705-H709 WeakPolarHBondContact O-CB 3.46Å; Y705-H709 PolarHBondContact O-CD2 3.16Å; Y705-H709 PolarHBondContact O-N 2.99Å; Y705-H709 VanDerWaalsContact O-N 3.08Å |
| 706 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 176.7 | -179.1 | 58.5 | 0 | 0 | 0 | 111.3 | A605 A608 I687 R703 E704 S708 H709 L710 I751 V755 I757 | A605-L706 HydrophobicContact CB-CB 4.37Å; A608-L706 HydrophobicContact CB-CD1 3.87Å; I687-L706 HydrophobicContact CD1-CD2 4.34Å; I687-L706 HydrophobicContact CG2-CB 4.5Å; I687-L706 HydrophobicContact CG2-CD2 4.37Å; R703-L706 PolarHBondContact O-N 3.4Å; E704-L706 VanDerWaalsContact C-N 3.33Å; E704-L706 PolarHBondContact O-N 3.41Å; L706-S708 VanDerWaalsContact C-N 3.35Å; L706-S708 PolarHBondContact O-N 3.38Å; L706-H709 PolarHBondContact O-N 3.46Å; L706-H709 VanDerWaalsContact O-N 3.16Å; L706-L710 HydrophobicContact CD1-CD1 4.19Å; L706-L710 HydrophobicContact CD1-CD2 4.22Å; L706-L710 HydrophobicContact CD1-CG 3.97Å; L706-L710 HydrophobicContact CG-CD1 4.01Å; L706-L710 HydrophobicContact CG-CG 4.23Å; L706-L710 VanDerWaalsContact O-CG 3.3Å; L706-L710 WeakPolarHBondContact O-CG 3.43Å; L706-L710 PolarHBondContact O-N 2.81Å; L706-I751 HydrophobicContact CD2-CG2 4.48Å; L706-V755 HydrophobicContact CD2-CG2 4.03Å; L706-I757 HydrophobicContact CB-CD1 4.15Å; L706-I757 HydrophobicContact CD2-CD1 3.87Å; L706-I757 HydrophobicContact CG-CD1 4.1Å |
| 707 | T | 98.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.6 | -49.9 | 179.9 | -55 | 0 | 0 | 0 | 0 | 111.5 | R703 E704 H709 L710 E711 I757 V762 | R703-T707 PolarHBondContact O-N 3.48Å; R703-T707 PolarHBondContact O-OG1 3.35Å; E704-T707 PolarHBondContact O-N 2.96Å; T707-H709 PolarHBondContact O-N 3.2Å; T707-L710 PolarHBondContact O-N 3.15Å; T707-E711 PolarHBondContact O-N 3.07Å; T707-E711 VanDerWaalsContact O-N 3.08Å; T707-I757 HydrophobicContact CG2-CG2 4.29Å; T707-I757 WeakPolarHBondContact OG1-CD1 3.49Å; T707-I757 WeakPolarHBondContact OG1-CG2 3.38Å; T707-V762 HydrophobicContact CG2-CG2 3.8Å |
| 708 | S | 97.8 | Very high | 97.9 | Very high | 57 Ų | 57 | 45.8 Ų | 45.8 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | E704 L706 L710 E711 I712 | E704-S708 WeakPolarHBondContact O-CB 3.44Å; E704-S708 PolarHBondContact O-N 3.13Å; L706-S708 VanDerWaalsContact C-N 3.35Å; L706-S708 PolarHBondContact O-N 3.38Å; S708-L710 VanDerWaalsContact C-N 3.32Å; S708-L710 PolarHBondContact O-N 3.16Å; S708-E711 PolarHBondContact O-N 3.3Å; S708-I712 WeakPolarHBondContact O-CG1 3.35Å; S708-I712 PolarHBondContact O-N 3.28Å; S708-I712 VanDerWaalsContact O-N 3.15Å |
| 709 | H | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 11% | 0.111 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.5 | -31.7 | 177.3 | -88.4 | -67.1 | 0 | 0 | 0 | 113.4 | D602 R609 Y705 L706 T707 R713 | D602-H709 IonicContact OD1-CD2 2.89Å; D602-H709 IonicContact OD1-CE1 3.88Å; D602-H709 IonicContact OD1-NE2 2.67Å; D602-H709 PolarHBondContact OD1-NE2 3.41Å; R609-H709 HydrophobicContact CB-CB 4.28Å; R609-H709 HydrophobicContact CG-CB 4.36Å; R609-H709 PolarHBondContact NH1-ND1 3.13Å; Y705-H709 WeakPolarHBondContact O-CB 3.46Å; Y705-H709 PolarHBondContact O-CD2 3.16Å; Y705-H709 PolarHBondContact O-N 2.99Å; Y705-H709 VanDerWaalsContact O-N 3.08Å; L706-H709 PolarHBondContact O-N 3.46Å; L706-H709 VanDerWaalsContact O-N 3.16Å; T707-H709 PolarHBondContact O-N 3.2Å; H709-R713 WeakPolarHBondContact O-CB 3.35Å; H709-R713 PolarHBondContact O-N 3.27Å |
| 710 | L | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70 | -43.2 | 175.9 | -68.8 | 180 | 0 | 0 | 0 | 111.7 | I612 L706 T707 S708 R713 F714 L748 I759 | I612-L710 HydrophobicContact CD1-CD2 3.68Å; I612-L710 HydrophobicContact CG2-CD2 4.37Å; L706-L710 HydrophobicContact CD1-CD1 4.19Å; L706-L710 HydrophobicContact CD1-CD2 4.22Å; L706-L710 HydrophobicContact CD1-CG 3.97Å; L706-L710 HydrophobicContact CG-CD1 4.01Å; L706-L710 HydrophobicContact CG-CG 4.23Å; L706-L710 VanDerWaalsContact O-CG 3.3Å; L706-L710 WeakPolarHBondContact O-CG 3.43Å; L706-L710 PolarHBondContact O-N 2.81Å; T707-L710 PolarHBondContact O-N 3.15Å; S708-L710 VanDerWaalsContact C-N 3.32Å; S708-L710 PolarHBondContact O-N 3.16Å; L710-R713 PolarHBondContact O-N 3.49Å; L710-F714 VanDerWaalsContact O-CB 3.27Å; L710-F714 WeakPolarHBondContact O-CB 3.43Å; L710-F714 PolarHBondContact O-N 2.82Å; L710-L748 HydrophobicContact CD1-CD2 4.49Å; L710-L748 HydrophobicContact CD2-CD2 3.94Å; L710-I759 HydrophobicContact CD1-CD1 4.27Å |
| 711 | E | 97.5 | Very high | 97.7 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.1 | -54.6 | 174.6 | -72.2 | 178.5 | 167.9 | 0 | 0 | 110.9 | T707 S708 R713 F714 T715 V762 N765 V766 | T707-E711 PolarHBondContact O-N 3.07Å; T707-E711 VanDerWaalsContact O-N 3.08Å; S708-E711 PolarHBondContact O-N 3.3Å; E711-R713 VanDerWaalsContact C-N 3.32Å; E711-R713 PolarHBondContact O-N 3.06Å; E711-F714 PolarHBondContact O-N 3Å; E711-T715 PolarHBondContact O-N 2.84Å; E711-T715 VanDerWaalsContact O-N 3.07Å; E711-T715 PolarHBondContact O-OG1 3.22Å; E711-V762 HydrophobicContact CG-CB 4.23Å; E711-V762 HydrophobicContact CG-CG1 3.8Å; E711-V762 HydrophobicContact CG-CG2 4Å; E711-N765 PolarHBondContact OE1-ND2 3.27Å; E711-V766 HydrophobicContact CB-CG2 4.21Å; E711-V766 HydrophobicContact CG-CG2 4.43Å |
| 712 | I | 97.1 | Very high | 97.6 | Very high | 96 Ų | 96 | 40.2 Ų | 40.2 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.6 | -44.2 | -179.3 | -64.9 | 166.4 | 0 | 0 | 0 | 110.9 | S708 K716 | S708-I712 WeakPolarHBondContact O-CG1 3.35Å; S708-I712 PolarHBondContact O-N 3.28Å; S708-I712 VanDerWaalsContact O-N 3.15Å; I712-K716 WeakPolarHBondContact O-CB 3.48Å; I712-K716 PolarHBondContact O-N 3.22Å; I712-K716 VanDerWaalsContact O-N 3.1Å |
| 713 | R | 97.8 | Very high | 97.5 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 19% | 0.189 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | -179.2 | 179.4 | 52.9 | 57.6 | 95.1 | -8 | 111.7 | R609 T613 H709 L710 E711 K716 S717 | R609-R713 HydrophobicContact CG-CB 3.69Å; R609-R713 HydrophobicContact CG-CG 3.81Å; T613-R713 WeakPolarHBondContact OG1-CG 3.31Å; T613-R713 PolarHBondContact OG1-NH1 3.47Å; H709-R713 WeakPolarHBondContact O-CB 3.35Å; H709-R713 PolarHBondContact O-N 3.27Å; L710-R713 PolarHBondContact O-N 3.49Å; E711-R713 VanDerWaalsContact C-N 3.32Å; E711-R713 PolarHBondContact O-N 3.06Å; R713-K716 PolarHBondContact O-N 3.45Å; R713-S717 WeakPolarHBondContact O-CB 3.48Å; R713-S717 PolarHBondContact O-N 3.35Å; R713-S717 PolarHBondContact O-OG 3.49Å |
| 714 | F | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | -177.6 | -172.3 | -148.7 | 0 | 0 | 0 | 111 | L710 E711 K716 S717 I718 V741 Y744 M745 L748 F763 V766 L767 | L710-F714 VanDerWaalsContact O-CB 3.27Å; L710-F714 WeakPolarHBondContact O-CB 3.43Å; L710-F714 PolarHBondContact O-N 2.82Å; E711-F714 PolarHBondContact O-N 3Å; F714-K716 PolarHBondContact O-N 2.97Å; F714-S717 PolarHBondContact O-N 2.8Å; F714-I718 HydrophobicContact CD1-CD1 4.3Å; F714-I718 HydrophobicContact CD2-CD1 3.93Å; F714-I718 HydrophobicContact CD2-CG1 3.95Å; F714-I718 HydrophobicContact CE1-CD1 4.09Å; F714-I718 HydrophobicContact CE2-CD1 3.71Å; F714-I718 HydrophobicContact CE2-CG1 3.75Å; F714-I718 HydrophobicContact CG-CD1 4.22Å; F714-I718 HydrophobicContact CZ-CD1 3.8Å; F714-I718 HydrophobicContact CZ-CG1 4.3Å; F714-I718 VanDerWaalsContact O-CG1 3.31Å; F714-I718 WeakPolarHBondContact O-CG1 3.45Å; F714-I718 PolarHBondContact O-N 3.33Å; F714-V741 HydrophobicContact CZ-CG1 4.23Å; F714-Y744 HydrophobicContact CD2-CD1 4.07Å; F714-Y744 HydrophobicContact CE2-CD1 4.31Å; F714-Y744 HydrophobicContact CE2-CG 4.36Å; F714-M745 HydrophobicContact CE1-CG 4.36Å; F714-M745 HydrophobicContact CZ-CG 3.78Å; F714-L748 HydrophobicContact CB-CD1 4.2Å; F714-L748 HydrophobicContact CD1-CD1 3.95Å; F714-L748 HydrophobicContact CD2-CD1 3.96Å; F714-L748 HydrophobicContact CE1-CD1 4.29Å; F714-L748 HydrophobicContact CE2-CD1 4.3Å; F714-L748 HydrophobicContact CG-CD1 3.78Å; F714-L748 HydrophobicContact CZ-CD1 4.45Å; F714-F763 HydrophobicContact CD1-CD1 4.33Å; F714-F763 AromaticContact CE1-CD1 3.8Å; F714-F763 HydrophobicContact CE1-CD1 3.8Å; F714-F763 HydrophobicContact CE1-CE1 4.19Å; F714-V766 HydrophobicContact CB-CG1 4.32Å; F714-V766 HydrophobicContact CB-CG2 4.41Å; F714-V766 HydrophobicContact CD1-CB 3.87Å; F714-V766 HydrophobicContact CD1-CG1 3.6Å; F714-V766 HydrophobicContact CD1-CG2 4.14Å; F714-V766 HydrophobicContact CE1-CB 4.43Å; F714-V766 HydrophobicContact CE1-CG1 4.14Å; F714-V766 HydrophobicContact CG-CG1 4.07Å; F714-L767 HydrophobicContact CE1-CD2 3.94Å; F714-L767 HydrophobicContact CE1-CG 4.18Å; F714-L767 HydrophobicContact CZ-CD2 3.99Å |
| 715 | T | 97.8 | Very high | 97.2 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.4 | -51.8 | 171 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | E711 S717 I718 V719 V766 | E711-T715 PolarHBondContact O-N 2.84Å; E711-T715 VanDerWaalsContact O-N 3.07Å; E711-T715 PolarHBondContact O-OG1 3.22Å; T715-S717 VanDerWaalsContact C-N 3.33Å; T715-S717 PolarHBondContact O-N 3.09Å; T715-I718 PolarHBondContact O-N 3.23Å; T715-V719 PolarHBondContact O-N 3.44Å; T715-V766 WeakPolarHBondContact OG1-CG1 3.01Å |
| 716 | K | 96.3 | Very high | 96.9 | Very high | 151 Ų | 151 | 49.4 Ų | 49.4 | 66% | 0.657 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | 179.8 | -176.3 | 173.4 | -179.6 | 172.4 | 0 | 112.6 | I712 R713 F714 G720 | I712-K716 WeakPolarHBondContact O-CB 3.48Å; I712-K716 PolarHBondContact O-N 3.22Å; I712-K716 VanDerWaalsContact O-N 3.1Å; R713-K716 PolarHBondContact O-N 3.45Å; F714-K716 PolarHBondContact O-N 2.97Å; K716-G720 PolarHBondContact O-N 3.01Å |
| 717 | S | 97.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 178.7 | -74.4 | 0 | 0 | 0 | 0 | 112 | R713 F714 T715 G720 M721 Y744 | R713-S717 WeakPolarHBondContact O-CB 3.48Å; R713-S717 PolarHBondContact O-N 3.35Å; R713-S717 PolarHBondContact O-OG 3.49Å; F714-S717 PolarHBondContact O-N 2.8Å; T715-S717 VanDerWaalsContact C-N 3.33Å; T715-S717 PolarHBondContact O-N 3.09Å; S717-G720 PolarHBondContact O-N 3.06Å; S717-M721 WeakPolarHBondContact O-CB 3.41Å; S717-M721 WeakPolarHBondContact O-CE 3.27Å; S717-M721 WeakPolarHBondContact O-CG 3.45Å; S717-M721 PolarHBondContact O-N 2.68Å; S717-Y744 WeakPolarHBondContact OG-CE1 3.37Å; S717-Y744 PolarHBondContact OG-OH 3.23Å |
| 718 | I | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 178 | -68 | 166.5 | 0 | 0 | 0 | 110.5 | F714 T715 G720 M721 T722 V741 V766 L767 Q770 I782 | F714-I718 HydrophobicContact CD1-CD1 4.3Å; F714-I718 HydrophobicContact CD2-CD1 3.93Å; F714-I718 HydrophobicContact CD2-CG1 3.95Å; F714-I718 HydrophobicContact CE1-CD1 4.09Å; F714-I718 HydrophobicContact CE2-CD1 3.71Å; F714-I718 HydrophobicContact CE2-CG1 3.75Å; F714-I718 HydrophobicContact CG-CD1 4.22Å; F714-I718 HydrophobicContact CZ-CD1 3.8Å; F714-I718 HydrophobicContact CZ-CG1 4.3Å; F714-I718 VanDerWaalsContact O-CG1 3.31Å; F714-I718 WeakPolarHBondContact O-CG1 3.45Å; F714-I718 PolarHBondContact O-N 3.33Å; T715-I718 PolarHBondContact O-N 3.23Å; I718-G720 VanDerWaalsContact C-N 3.34Å; I718-G720 PolarHBondContact O-N 2.68Å; I718-M721 PolarHBondContact O-N 2.86Å; I718-T722 PolarHBondContact O-N 3.17Å; I718-T722 VanDerWaalsContact O-N 3.15Å; I718-T722 PolarHBondContact O-OG1 3.17Å; I718-V741 HydrophobicContact CG1-CG2 4.25Å; I718-V766 HydrophobicContact CD1-CG1 3.65Å; I718-L767 HydrophobicContact CD1-CD2 3.82Å; I718-Q770 HydrophobicContact CD1-CG 4.41Å; I718-Q770 HydrophobicContact CG2-CG 4.32Å; I718-I782 HydrophobicContact CG2-CD1 4.19Å; I718-I782 HydrophobicContact CG2-CG2 3.65Å |
| 719 | V | 96.9 | Very high | 96.1 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 28% | 0.279 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.9 | 178 | 0 | 0 | 0 | 0 | 110.7 | T715 M721 T722 L785 | T715-V719 PolarHBondContact O-N 3.44Å; V719-M721 PolarHBondContact O-N 3.06Å; V719-T722 VanDerWaalsContact O-CB 3.27Å; V719-T722 WeakPolarHBondContact O-CB 3.26Å; V719-T722 PolarHBondContact O-N 3.46Å; V719-L785 HydrophobicContact CG1-CD1 4.29Å |
| 720 | G | 96.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 59.5 Ų | 59.5 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K716 S717 I718 T722 M723 | K716-G720 PolarHBondContact O-N 3.01Å; S717-G720 PolarHBondContact O-N 3.06Å; I718-G720 VanDerWaalsContact C-N 3.34Å; I718-G720 PolarHBondContact O-N 2.68Å; G720-T722 PolarHBondContact O-N 2.86Å; G720-M723 PolarHBondContact O-N 3.33Å; G720-M723 VanDerWaalsContact O-N 3.13Å; G720-M723 VanDerWaalsContact O-SD 3.37Å |
| 721 | M | 97.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.5 | -13 | 178.1 | -70.2 | -175.9 | -58.9 | 0 | 0 | 113.4 | S717 I718 V719 M723 A732 L737 V741 Y744 | S717-M721 WeakPolarHBondContact O-CB 3.41Å; S717-M721 WeakPolarHBondContact O-CE 3.27Å; S717-M721 WeakPolarHBondContact O-CG 3.45Å; S717-M721 PolarHBondContact O-N 2.68Å; I718-M721 PolarHBondContact O-N 2.86Å; V719-M721 PolarHBondContact O-N 3.06Å; M721-M723 PolarHBondContact O-N 3.4Å; M721-A732 WeakPolarHBondContact O-CB 3.39Å; M721-L737 HydrophobicContact CB-CD1 3.73Å; M721-V741 HydrophobicContact CE-CG2 4.36Å; M721-Y744 HydrophobicContact CE-CD2 3.74Å; M721-Y744 HydrophobicContact CE-CE2 3.75Å; M721-Y744 HydrophobicContact CE-CG 4.31Å; M721-Y744 HydrophobicContact SD-CD2 3.87Å; M721-Y744 HydrophobicContact SD-CE2 3.42Å; M721-Y744 WeakPolarHBondContact SD-CE2 3.29Å |
| 722 | T | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -18 | 171.2 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | I718 V719 G720 Y724 I731 A732 L737 I782 L785 Y786 | I718-T722 PolarHBondContact O-N 3.17Å; I718-T722 VanDerWaalsContact O-N 3.15Å; I718-T722 PolarHBondContact O-OG1 3.17Å; V719-T722 VanDerWaalsContact O-CB 3.27Å; V719-T722 WeakPolarHBondContact O-CB 3.26Å; V719-T722 PolarHBondContact O-N 3.46Å; G720-T722 PolarHBondContact O-N 2.86Å; T722-Y724 PolarHBondContact O-N 2.64Å; T722-I731 HydrophobicContact CG2-CD1 3.95Å; T722-I731 HydrophobicContact CG2-CG1 3.75Å; T722-A732 WeakPolarHBondContact O-CB 3.24Å; T722-A732 PolarHBondContact O-N 3.23Å; T722-L737 HydrophobicContact CG2-CD2 4.47Å; T722-I782 VanDerWaalsContact OG1-CG2 3.23Å; T722-I782 WeakPolarHBondContact OG1-CG2 3.35Å; T722-L785 HydrophobicContact CG2-CD1 4.17Å; T722-Y786 HydrophobicContact CG2-CE2 3.96Å |
| 723 | M | 94.8 | Very high | 95.9 | Very high | 134 Ų | 134 | 55.4 Ų | 55.4 | 66% | 0.66 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 31.5 | 174 | -59.6 | -61.4 | -66.5 | 0 | 0 | 113.5 | G720 M721 N725 A732 | G720-M723 PolarHBondContact O-N 3.33Å; G720-M723 VanDerWaalsContact O-N 3.13Å; G720-M723 VanDerWaalsContact O-SD 3.37Å; M721-M723 PolarHBondContact O-N 3.4Å; M723-N725 PolarHBondContact O-N 3.25Å; M723-A732 HydrophobicContact CB-CB 4.43Å |
| 724 | Y | 95.7 | Very high | 96 | Very high | 64 Ų | 64 | 53 Ų | 53 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | trans | -72.4 | 128.2 | -176.1 | 178.4 | -106.8 | 0 | 0 | 0 | 111.4 | T722 Q726 E730 I731 L785 N788 W789 | T722-Y724 PolarHBondContact O-N 2.64Å; Y724-Q726 HydrophobicContact CE1-CB 4.18Å; Y724-E730 WeakPolarHBondContact CA-O 3.1Å; Y724-I731 HydrophobicContact CD2-CB 4.29Å; Y724-I731 HydrophobicContact CD2-CD1 3.94Å; Y724-I731 HydrophobicContact CD2-CG1 4.16Å; Y724-L785 HydrophobicContact CD1-CD2 3.6Å; Y724-L785 HydrophobicContact CE1-CD2 3.86Å; Y724-L785 HydrophobicContact CG-CB 4.48Å; Y724-L785 HydrophobicContact CG-CD2 4.05Å; Y724-N788 PolarHBondContact OH-ND2 2.91Å; Y724-W789 HydrophobicContact CE2-CB 4.38Å | ||
| 725 | N | 94.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -135.5 | 112 | 174.6 | -176.2 | -18 | 0 | 0 | 0 | 110.4 | M723 A727 T728 Q729 E730 | M723-N725 PolarHBondContact O-N 3.25Å; N725-A727 VanDerWaalsContact C-N 3.3Å; N725-A727 PolarHBondContact O-N 3.26Å; N725-A727 PolarHBondContact OD1-N 3Å; N725-T728 VanDerWaalsContact CB-OG1 3.3Å; N725-T728 WeakPolarHBondContact CB-OG1 3.44Å; N725-T728 PolarHBondContact ND2-OG1 3.06Å; N725-T728 PolarHBondContact OD1-N 3.4Å; N725-Q729 WeakPolarHBondContact O-CA 3.43Å; N725-Q729 PolarHBondContact O-N 3.42Å; N725-E730 PolarHBondContact N-O 2.96Å; N725-E730 PolarHBondContact O-N 2.97Å |
| 726 | Q | 91.5 | Very high | 95.9 | Very high | 150 Ų | 150 | 55.5 Ų | 55.5 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -32.3 | -177.9 | -170.1 | 179.4 | 13.9 | 0 | 0 | 113.1 | Y724 | Y724-Q726 HydrophobicContact CE1-CB 4.18Š|
| 727 | A | 92.7 | Very high | 96 | Very high | 92 Ų | 92 | 48.4 Ų | 48.4 | 76% | 0.76 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -40.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N725 | N725-A727 VanDerWaalsContact C-N 3.3Å; N725-A727 PolarHBondContact O-N 3.26Å; N725-A727 PolarHBondContact OD1-N 3Å |
| 728 | T | 92.4 | Very high | 96 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -8.9 | 178.4 | 57 | 0 | 0 | 0 | 0 | 113.1 | N725 E730 | N725-T728 VanDerWaalsContact CB-OG1 3.3Å; N725-T728 WeakPolarHBondContact CB-OG1 3.44Å; N725-T728 PolarHBondContact ND2-OG1 3.06Å; N725-T728 PolarHBondContact OD1-N 3.4Å; T728-E730 WeakPolarHBondContact CB-OE2 3.49Å; T728-E730 PolarHBondContact O-N 3.26Å; T728-E730 WeakPolarHBondContact OG1-CG 3.3Å; T728-E730 PolarHBondContact OG1-OE2 3.17Å |
| 729 | Q | 92.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 29% | 0.29 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 32.8 | -172.7 | -58.8 | 173.5 | 21.1 | 0 | 0 | 112.1 | N725 W789 T793 | N725-Q729 WeakPolarHBondContact O-CA 3.43Å; N725-Q729 PolarHBondContact O-N 3.42Å; Q729-W789 PolarHBondContact O-NE1 2.97Å; Q729-T793 HydrophobicContact CB-CG2 3.94Å |
| 730 | E | 94.1 | Very high | 96.1 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -93.5 | 143.2 | 177.6 | -69.9 | 170.1 | 144.5 | 0 | 0 | 110.6 | Y724 N725 T728 | Y724-E730 WeakPolarHBondContact CA-O 3.1Å; N725-E730 PolarHBondContact N-O 2.96Å; N725-E730 PolarHBondContact O-N 2.97Å; T728-E730 WeakPolarHBondContact CB-OE2 3.49Å; T728-E730 PolarHBondContact O-N 3.26Å; T728-E730 WeakPolarHBondContact OG1-CG 3.3Å; T728-E730 PolarHBondContact OG1-OE2 3.17Å |
| 731 | I | 98 | Very high | 96.2 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | trans | -149.5 | 151.8 | 171.7 | -160.3 | 167.1 | 0 | 0 | 0 | 108.5 | T722 Y724 L785 Y786 W789 Y828 | T722-I731 HydrophobicContact CG2-CD1 3.95Å; T722-I731 HydrophobicContact CG2-CG1 3.75Å; Y724-I731 HydrophobicContact CD2-CB 4.29Å; Y724-I731 HydrophobicContact CD2-CD1 3.94Å; Y724-I731 HydrophobicContact CD2-CG1 4.16Å; I731-L785 HydrophobicContact CD1-CB 4.39Å; I731-Y786 HydrophobicContact CD1-CD1 3.52Å; I731-Y786 HydrophobicContact CD1-CD2 4.39Å; I731-Y786 HydrophobicContact CD1-CE1 3.58Å; I731-Y786 HydrophobicContact CD1-CE2 4.43Å; I731-Y786 HydrophobicContact CD1-CG 3.94Å; I731-Y786 HydrophobicContact CG1-CD1 4.32Å; I731-Y786 HydrophobicContact CG1-CE1 3.87Å; I731-Y786 HydrophobicContact CG2-CE1 4.22Å; I731-W789 HydrophobicContact CB-CD2 4.36Å; I731-W789 HydrophobicContact CB-CG 4.12Å; I731-W789 HydrophobicContact CD1-CB 4.01Å; I731-W789 HydrophobicContact CD1-CG 4.27Å; I731-W789 HydrophobicContact CG2-CB 4.49Å; I731-W789 HydrophobicContact CG2-CD2 3.42Å; I731-W789 VanDerWaalsContact CG2-CD2 3.42Å; I731-W789 VanDerWaalsContact CG2-CE2 3.44Å; I731-W789 HydrophobicContact CG2-CE3 3.9Å; I731-W789 HydrophobicContact CG2-CG 3.68Å; I731-W789 HydrophobicContact CG2-CH2 4.37Å; I731-W789 HydrophobicContact CG2-CZ2 3.95Å; I731-W789 HydrophobicContact CG2-CZ3 4.34Å; I731-Y828 HydrophobicContact CG2-CD1 4.33Å; I731-Y828 HydrophobicContact CG2-CE1 3.84Å; I731-Y828 WeakPolarHBondContact O-CE1 3.5Å; I731-Y828 PolarHBondContact O-OH 3.4Å; I731-Y828 VanDerWaalsContact O-OH 3.05Å | ||
| 732 | A | 97.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | trans | -65.7 | 147.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M721 T722 M723 L737 Y786 | M721-A732 WeakPolarHBondContact O-CB 3.39Å; T722-A732 WeakPolarHBondContact O-CB 3.24Å; T722-A732 PolarHBondContact O-N 3.23Å; M723-A732 HydrophobicContact CB-CB 4.43Å; A732-L737 HydrophobicContact CB-CB 4.48Å; A732-Y786 VanDerWaalsContact O-CE1 3.32Å; A732-Y786 WeakPolarHBondContact O-CE1 3.08Å; A732-Y786 PolarHBondContact O-OH 3.09Å | ||
| 733 | K | 98.2 | Very high | 96.2 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | trans | -64.1 | 133.9 | 170.2 | -61.3 | 176.8 | -172.8 | 175.2 | 0 | 109.9 | S735 E736 L737 E827 Y828 | K733-S735 PolarHBondContact O-N 2.64Å; K733-E736 HydrophobicContact CB-CB 4.35Å; K733-E736 HydrophobicContact CB-CG 4.17Å; K733-E736 HydrophobicContact CD-CG 4.36Å; K733-E736 PolarHBondContact O-N 3.1Å; K733-E736 VanDerWaalsContact O-N 3.13Å; K733-L737 PolarHBondContact O-N 3.49Å; K733-E827 HydrophobicContact CD-CB 4.25Å; K733-E827 WeakPolarHBondContact CE-OE2 3.25Å; K733-E827 IonicContact NZ-OE2 3.74Å; K733-E827 PolarHBondContact NZ-OE2 2.91Å; K733-Y828 HydrophobicContact CB-CE1 4.41Å; K733-Y828 HydrophobicContact CG-CD1 4.43Å; K733-Y828 HydrophobicContact CG-CE1 3.86Å; K733-Y828 HydrophobicContact CG-CE2 4.26Å | ||
| 734 | P | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -49.9 | -40.1 | 177.5 | -29.6 | 33.8 | 0 | 0 | 0 | 114.3 | L738 Y786 E833 L837 | P734-L738 VanDerWaalsContact O-CB 3.28Å; P734-L738 WeakPolarHBondContact O-CB 3.43Å; P734-L738 PolarHBondContact O-N 2.75Å; P734-Y786 HydrophobicContact CG-CE1 3.93Å; P734-E833 WeakPolarHBondContact CD-OE2 3.49Å; P734-L837 HydrophobicContact CB-CB 4.04Å; P734-L837 HydrophobicContact CG-CB 4.18Å; P734-L837 HydrophobicContact CG-CD1 4.24Å |
| 735 | S | 97.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 179.4 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | K733 T739 E833 S836 | K733-S735 PolarHBondContact O-N 2.64Å; S735-T739 WeakPolarHBondContact O-CB 3.43Å; S735-T739 PolarHBondContact O-N 3.2Å; S735-T739 PolarHBondContact O-OG1 2.83Å; S735-E833 WeakPolarHBondContact CB-OE1 3.46Å; S735-E833 WeakPolarHBondContact CB-OE2 3.47Å; S735-E833 PolarHBondContact N-OE2 2.91Å; S735-E833 VanDerWaalsContact OG-CD 3.29Å; S735-E833 PolarHBondContact OG-OE1 3.48Å; S735-E833 PolarHBondContact OG-OE2 3.39Å; S735-S836 WeakPolarHBondContact CA-OG 3.36Å |
| 736 | E | 97.1 | Very high | 96.7 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.3 | -39.6 | 178 | -63.5 | -169.4 | 164.8 | 0 | 0 | 111.1 | L627 K629 K733 T739 S740 | L627-E736 HydrophobicContact CD1-CG 4Å; K629-E736 IonicContact NZ-OE1 3.1Å; K629-E736 PolarHBondContact NZ-OE1 2.95Å; K629-E736 IonicContact NZ-OE2 3.16Å; K733-E736 HydrophobicContact CB-CB 4.35Å; K733-E736 HydrophobicContact CB-CG 4.17Å; K733-E736 HydrophobicContact CD-CG 4.36Å; K733-E736 PolarHBondContact O-N 3.1Å; K733-E736 VanDerWaalsContact O-N 3.13Å; E736-T739 PolarHBondContact O-N 3.34Å; E736-S740 PolarHBondContact O-N 3.49Å; E736-S740 VanDerWaalsContact O-N 3.1Å; E736-S740 PolarHBondContact O-OG 3.29Å |
| 737 | L | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -50.6 | 173.4 | 177.6 | 59.9 | 0 | 0 | 0 | 110.9 | M721 T722 A732 K733 T739 S740 V741 Y786 L840 | M721-L737 HydrophobicContact CB-CD1 3.73Å; T722-L737 HydrophobicContact CG2-CD2 4.47Å; A732-L737 HydrophobicContact CB-CB 4.48Å; K733-L737 PolarHBondContact O-N 3.49Å; L737-T739 VanDerWaalsContact C-N 3.3Å; L737-T739 PolarHBondContact O-N 3.44Å; L737-S740 WeakPolarHBondContact O-CB 3.32Å; L737-S740 PolarHBondContact O-N 2.67Å; L737-S740 VanDerWaalsContact O-N 3.09Å; L737-V741 HydrophobicContact CD1-CG2 4.15Å; L737-V741 HydrophobicContact CG-CG2 4.38Å; L737-V741 WeakPolarHBondContact O-CG2 3.43Å; L737-V741 PolarHBondContact O-N 2.95Å; L737-Y786 HydrophobicContact CD2-CE2 3.66Å; L737-Y786 WeakPolarHBondContact CD2-OH 3.42Å; L737-L840 HydrophobicContact CB-CD1 4.34Å; L737-L840 HydrophobicContact CD2-CD1 3.86Å; L737-L840 HydrophobicContact CG-CD1 4.05Å |
| 738 | L | 98.2 | Very high | 97.2 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.073 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 179 | 178.2 | 61.6 | 0 | 0 | 0 | 112.1 | P734 S740 V741 R742 E839 L840 | P734-L738 VanDerWaalsContact O-CB 3.28Å; P734-L738 WeakPolarHBondContact O-CB 3.43Å; P734-L738 PolarHBondContact O-N 2.75Å; L738-S740 VanDerWaalsContact C-N 3.31Å; L738-S740 PolarHBondContact O-N 3.35Å; L738-V741 PolarHBondContact O-N 2.75Å; L738-R742 HydrophobicContact CD1-CG 4.3Å; L738-R742 WeakPolarHBondContact O-CB 3.47Å; L738-R742 WeakPolarHBondContact O-CG 3.4Å; L738-R742 PolarHBondContact O-N 3.08Å; L738-E839 HydrophobicContact CD1-CB 4.12Å; L738-E839 HydrophobicContact CD2-CB 3.7Å; L738-E839 HydrophobicContact CD2-CG 3.99Å; L738-L840 HydrophobicContact CB-CD1 4.21Å; L738-L840 HydrophobicContact CB-CD2 4.31Å; L738-L840 HydrophobicContact CB-CG 4.22Å; L738-L840 HydrophobicContact CD1-CD2 3.86Å; L738-L840 HydrophobicContact CD1-CG 4.13Å |
| 739 | T | 98.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 175.1 | -61.8 | 0 | 0 | 0 | 0 | 111 | L627 S735 E736 L737 R742 A743 | L627-T739 HydrophobicContact CD2-CG2 4.5Å; S735-T739 WeakPolarHBondContact O-CB 3.43Å; S735-T739 PolarHBondContact O-N 3.2Å; S735-T739 PolarHBondContact O-OG1 2.83Å; E736-T739 PolarHBondContact O-N 3.34Å; L737-T739 VanDerWaalsContact C-N 3.3Å; L737-T739 PolarHBondContact O-N 3.44Å; T739-R742 PolarHBondContact O-N 3.11Å; T739-A743 PolarHBondContact O-N 2.94Å; T739-A743 VanDerWaalsContact O-N 3.09Å |
| 740 | S | 97.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 178 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | E736 L737 L738 R742 A743 Y744 | E736-S740 PolarHBondContact O-N 3.49Å; E736-S740 VanDerWaalsContact O-N 3.1Å; E736-S740 PolarHBondContact O-OG 3.29Å; L737-S740 WeakPolarHBondContact O-CB 3.32Å; L737-S740 PolarHBondContact O-N 2.67Å; L737-S740 VanDerWaalsContact O-N 3.09Å; L738-S740 VanDerWaalsContact C-N 3.31Å; L738-S740 PolarHBondContact O-N 3.35Å; S740-R742 VanDerWaalsContact C-N 3.34Å; S740-R742 PolarHBondContact O-N 3.03Å; S740-A743 PolarHBondContact O-N 3.46Å; S740-Y744 WeakPolarHBondContact O-CD2 3.24Å; S740-Y744 PolarHBondContact O-N 3.02Å |
| 741 | V | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 111 | F714 I718 M721 L737 L738 A743 Y744 M745 L767 L840 | F714-V741 HydrophobicContact CZ-CG1 4.23Å; I718-V741 HydrophobicContact CG1-CG2 4.25Å; M721-V741 HydrophobicContact CE-CG2 4.36Å; L737-V741 HydrophobicContact CD1-CG2 4.15Å; L737-V741 HydrophobicContact CG-CG2 4.38Å; L737-V741 WeakPolarHBondContact O-CG2 3.43Å; L737-V741 PolarHBondContact O-N 2.95Å; L738-V741 PolarHBondContact O-N 2.75Å; V741-A743 PolarHBondContact O-N 2.99Å; V741-Y744 WeakPolarHBondContact O-CB 3.44Å; V741-Y744 PolarHBondContact O-N 3.16Å; V741-M745 HydrophobicContact CG1-CG 4.46Å; V741-M745 HydrophobicContact CG1-SD 4.14Å; V741-M745 WeakPolarHBondContact O-CG 3.24Å; V741-M745 PolarHBondContact O-N 3.32Å; V741-L767 HydrophobicContact CG1-CD2 4.32Å; V741-L840 HydrophobicContact CG2-CD2 4.24Å |
| 742 | R | 98 | Very high | 97.8 | Very high | 122 Ų | 122 | 34.9 Ų | 34.9 | 46% | 0.46 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.1 | -73.8 | 174.6 | 173.4 | 171.5 | -1.1 | 112.6 | L738 T739 S740 M745 T746 E839 | L738-R742 HydrophobicContact CD1-CG 4.3Å; L738-R742 WeakPolarHBondContact O-CB 3.47Å; L738-R742 WeakPolarHBondContact O-CG 3.4Å; L738-R742 PolarHBondContact O-N 3.08Å; T739-R742 PolarHBondContact O-N 3.11Å; S740-R742 VanDerWaalsContact C-N 3.34Å; S740-R742 PolarHBondContact O-N 3.03Å; R742-M745 PolarHBondContact O-N 3.16Å; R742-T746 PolarHBondContact O-N 2.81Å; R742-T746 PolarHBondContact O-OG1 2.84Å; R742-E839 IonicContact NH2-OE1 3.37Å; R742-E839 IonicContact NH2-OE2 2.79Å |
| 743 | A | 97.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q619 T739 S740 V741 T746 V747 | Q619-A743 HydrophobicContact CB-CB 4.48Å; T739-A743 PolarHBondContact O-N 2.94Å; T739-A743 VanDerWaalsContact O-N 3.09Å; S740-A743 PolarHBondContact O-N 3.46Å; V741-A743 PolarHBondContact O-N 2.99Å; A743-T746 WeakPolarHBondContact O-CB 3.39Å; A743-T746 PolarHBondContact O-N 3.18Å; A743-V747 PolarHBondContact O-N 2.8Å |
| 744 | Y | 97.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 173.5 | -98 | -103.1 | 0 | 0 | 0 | 112.3 | C616 C620 F714 S717 M721 S740 V741 T746 V747 L748 | C616-Y744 HydrophobicContact CB-CD1 3.65Å; C616-Y744 HydrophobicContact CB-CD2 3.71Å; C616-Y744 HydrophobicContact CB-CE1 3.45Å; C616-Y744 VanDerWaalsContact CB-CE1 3.45Å; C616-Y744 HydrophobicContact CB-CE2 3.52Å; C616-Y744 HydrophobicContact CB-CG 3.77Å; C616-Y744 VanDerWaalsContact SG-CD1 3.51Å; C620-Y744 VanDerWaalsContact SG-CD2 3.53Å; C620-Y744 VanDerWaalsContact SG-CE2 3.6Å; F714-Y744 HydrophobicContact CD2-CD1 4.07Å; F714-Y744 HydrophobicContact CE2-CD1 4.31Å; F714-Y744 HydrophobicContact CE2-CG 4.36Å; S717-Y744 WeakPolarHBondContact OG-CE1 3.37Å; S717-Y744 PolarHBondContact OG-OH 3.23Å; M721-Y744 HydrophobicContact CE-CD2 3.74Å; M721-Y744 HydrophobicContact CE-CE2 3.75Å; M721-Y744 HydrophobicContact CE-CG 4.31Å; M721-Y744 HydrophobicContact SD-CD2 3.87Å; M721-Y744 HydrophobicContact SD-CE2 3.42Å; M721-Y744 WeakPolarHBondContact SD-CE2 3.29Å; S740-Y744 WeakPolarHBondContact O-CD2 3.24Å; S740-Y744 PolarHBondContact O-N 3.02Å; V741-Y744 WeakPolarHBondContact O-CB 3.44Å; V741-Y744 PolarHBondContact O-N 3.16Å; Y744-T746 VanDerWaalsContact C-N 3.26Å; Y744-T746 PolarHBondContact O-N 2.76Å; Y744-V747 PolarHBondContact O-N 3.36Å; Y744-L748 WeakPolarHBondContact O-CB 3.28Å; Y744-L748 WeakPolarHBondContact O-CG 3.47Å; Y744-L748 PolarHBondContact O-N 2.74Å |
| 745 | M | 98.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 27% | 0.271 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.9 | -37.8 | 178.6 | -70 | 175.6 | 72.7 | 0 | 0 | 111.8 | F714 V741 R742 L748 Q749 F763 L767 | F714-M745 HydrophobicContact CE1-CG 4.36Å; F714-M745 HydrophobicContact CZ-CG 3.78Å; V741-M745 HydrophobicContact CG1-CG 4.46Å; V741-M745 HydrophobicContact CG1-SD 4.14Å; V741-M745 WeakPolarHBondContact O-CG 3.24Å; V741-M745 PolarHBondContact O-N 3.32Å; R742-M745 PolarHBondContact O-N 3.16Å; M745-L748 PolarHBondContact O-N 3.42Å; M745-Q749 VanDerWaalsContact O-CB 3.31Å; M745-Q749 WeakPolarHBondContact O-CB 3.42Å; M745-Q749 PolarHBondContact O-N 3.47Å; M745-F763 HydrophobicContact CB-CE1 4.14Å; M745-F763 HydrophobicContact CB-CE2 4.44Å; M745-F763 HydrophobicContact CB-CZ 3.9Å; M745-F763 HydrophobicContact CE-CD1 4.44Å; M745-F763 HydrophobicContact CE-CD2 3.91Å; M745-F763 HydrophobicContact CE-CE2 4.12Å; M745-F763 HydrophobicContact CE-CG 4.08Å; M745-F763 HydrophobicContact CE-CZ 4.5Å; M745-F763 HydrophobicContact CG-CD1 4.28Å; M745-F763 HydrophobicContact CG-CE1 3.92Å; M745-F763 HydrophobicContact CG-CZ 4.14Å; M745-F763 WeakPolarHBondContact O-CZ 3.3Å; M745-L767 HydrophobicContact CE-CD1 3.82Å; M745-L767 HydrophobicContact SD-CD1 3.89Å |
| 746 | T | 98.2 | Very high | 97.6 | Very high | 101 Ų | 101 | 44.9 Ų | 44.9 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.7 | -44.9 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | R742 A743 Y744 S750 | R742-T746 PolarHBondContact O-N 2.81Å; R742-T746 PolarHBondContact O-OG1 2.84Å; A743-T746 WeakPolarHBondContact O-CB 3.39Å; A743-T746 PolarHBondContact O-N 3.18Å; Y744-T746 VanDerWaalsContact C-N 3.26Å; Y744-T746 PolarHBondContact O-N 2.76Å; T746-S750 PolarHBondContact O-N 3.17Å |
| 747 | V | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | I612 I615 Q619 A743 Y744 Q749 S750 | I612-V747 HydrophobicContact CG2-CG1 4.25Å; I615-V747 HydrophobicContact CB-CG1 4.18Å; I615-V747 HydrophobicContact CG2-CB 4.48Å; I615-V747 HydrophobicContact CG2-CG1 3.65Å; I615-V747 HydrophobicContact CG2-CG2 3.91Å; Q619-V747 HydrophobicContact CB-CG2 4.06Å; Q619-V747 HydrophobicContact CG-CG2 3.67Å; A743-V747 PolarHBondContact O-N 2.8Å; Y744-V747 PolarHBondContact O-N 3.36Å; V747-Q749 VanDerWaalsContact C-N 3.33Å; V747-Q749 PolarHBondContact O-N 3.04Å; V747-S750 WeakPolarHBondContact O-CB 3.46Å; V747-S750 PolarHBondContact O-N 2.88Å; V747-S750 VanDerWaalsContact O-N 3.12Å; V747-S750 PolarHBondContact O-OG 3.41Å |
| 748 | L | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 178.7 | -73 | 175.4 | 0 | 0 | 0 | 112 | I612 L710 F714 Y744 M745 S750 I751 I759 F763 | I612-L748 HydrophobicContact CG2-CD2 3.77Å; L710-L748 HydrophobicContact CD1-CD2 4.49Å; L710-L748 HydrophobicContact CD2-CD2 3.94Å; F714-L748 HydrophobicContact CB-CD1 4.2Å; F714-L748 HydrophobicContact CD1-CD1 3.95Å; F714-L748 HydrophobicContact CD2-CD1 3.96Å; F714-L748 HydrophobicContact CE1-CD1 4.29Å; F714-L748 HydrophobicContact CE2-CD1 4.3Å; F714-L748 HydrophobicContact CG-CD1 3.78Å; F714-L748 HydrophobicContact CZ-CD1 4.45Å; Y744-L748 WeakPolarHBondContact O-CB 3.28Å; Y744-L748 WeakPolarHBondContact O-CG 3.47Å; Y744-L748 PolarHBondContact O-N 2.74Å; M745-L748 PolarHBondContact O-N 3.42Å; L748-S750 PolarHBondContact O-N 2.77Å; L748-I751 VanDerWaalsContact O-CB 3.26Å; L748-I751 WeakPolarHBondContact O-CB 3.32Å; L748-I751 VanDerWaalsContact O-CG1 3.27Å; L748-I751 WeakPolarHBondContact O-CG1 3.13Å; L748-I751 PolarHBondContact O-N 3.22Å; L748-I751 VanDerWaalsContact O-N 3.08Å; L748-I759 HydrophobicContact CB-CD1 4.05Å; L748-I759 HydrophobicContact CB-CG1 4.03Å; L748-I759 WeakPolarHBondContact O-CG1 3.32Å; L748-F763 HydrophobicContact CB-CE1 3.72Å; L748-F763 HydrophobicContact CB-CZ 3.84Å; L748-F763 HydrophobicContact CD1-CE1 3.85Å; L748-F763 HydrophobicContact CG-CE1 4.45Å |
| 749 | Q | 97.8 | Very high | 97.4 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.8 | -35.8 | 176 | -171.1 | 68.9 | 50.3 | 0 | 0 | 111.7 | M745 V747 I751 E752 I759 | M745-Q749 VanDerWaalsContact O-CB 3.31Å; M745-Q749 WeakPolarHBondContact O-CB 3.42Å; M745-Q749 PolarHBondContact O-N 3.47Å; V747-Q749 VanDerWaalsContact C-N 3.33Å; V747-Q749 PolarHBondContact O-N 3.04Å; Q749-I751 PolarHBondContact O-N 3.46Å; Q749-I751 VanDerWaalsContact O-N 3.15Å; Q749-E752 PolarHBondContact NE2-OE2 3.49Å; Q749-E752 PolarHBondContact O-N 3.3Å; Q749-I759 VanDerWaalsContact CD-CG2 3.46Å; Q749-I759 VanDerWaalsContact OE1-CG2 3.29Å |
| 750 | S | 97.4 | Very high | 97.3 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -66 | -15 | 179.4 | 81.7 | 0 | 0 | 0 | 0 | 114 | T746 V747 L748 E752 N753 | T746-S750 PolarHBondContact O-N 3.17Å; V747-S750 WeakPolarHBondContact O-CB 3.46Å; V747-S750 PolarHBondContact O-N 2.88Å; V747-S750 VanDerWaalsContact O-N 3.12Å; V747-S750 PolarHBondContact O-OG 3.41Å; L748-S750 PolarHBondContact O-N 2.77Å; S750-E752 VanDerWaalsContact C-N 3.25Å; S750-E752 PolarHBondContact O-N 3.21Å; S750-N753 VanDerWaalsContact O-CB 3.3Å; S750-N753 WeakPolarHBondContact O-CB 3.22Å; S750-N753 PolarHBondContact O-N 2.85Å; S750-N753 PolarHBondContact O-ND2 3.43Å |
| 751 | I | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -66.8 | -28.2 | -179.3 | -57 | -53.8 | 0 | 0 | 0 | 112.2 | I612 L680 L706 L748 Q749 N753 Y754 V755 | I612-I751 HydrophobicContact CD1-CD1 3.54Å; I612-I751 HydrophobicContact CD1-CG1 3.94Å; I612-I751 HydrophobicContact CG1-CD1 3.76Å; L680-I751 HydrophobicContact CD2-CD1 3.85Å; L706-I751 HydrophobicContact CD2-CG2 4.48Å; L748-I751 VanDerWaalsContact O-CB 3.26Å; L748-I751 WeakPolarHBondContact O-CB 3.32Å; L748-I751 VanDerWaalsContact O-CG1 3.27Å; L748-I751 WeakPolarHBondContact O-CG1 3.13Å; L748-I751 PolarHBondContact O-N 3.22Å; L748-I751 VanDerWaalsContact O-N 3.08Å; Q749-I751 PolarHBondContact O-N 3.46Å; Q749-I751 VanDerWaalsContact O-N 3.15Å; I751-N753 PolarHBondContact O-N 3.32Å; I751-N753 VanDerWaalsContact O-N 3.13Å; I751-Y754 PolarHBondContact O-N 3.37Å; I751-V755 PolarHBondContact O-N 3.13Å |
| 752 | E | 96.3 | Very high | 97 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -61.1 | -21.3 | 175.6 | -60.7 | -169.8 | 155.2 | 0 | 0 | 112.7 | Q749 S750 Y754 I759 | Q749-E752 PolarHBondContact NE2-OE2 3.49Å; Q749-E752 PolarHBondContact O-N 3.3Å; S750-E752 VanDerWaalsContact C-N 3.25Å; S750-E752 PolarHBondContact O-N 3.21Å; E752-Y754 PolarHBondContact O-N 3.05Å; E752-I759 HydrophobicContact CG-CB 4.09Å; E752-I759 HydrophobicContact CG-CG2 3.88Å; E752-I759 WeakPolarHBondContact OE1-CG2 3.46Å; E752-I759 PolarHBondContact OE1-N 3.5Å |
| 753 | N | 96.8 | Very high | 97 | Very high | 131 Ų | 131 | 49.4 Ų | 49.4 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -69 | -21.5 | 173.8 | -61.5 | -47.5 | 0 | 0 | 0 | 113 | S750 I751 | S750-N753 VanDerWaalsContact O-CB 3.3Å; S750-N753 WeakPolarHBondContact O-CB 3.22Å; S750-N753 PolarHBondContact O-N 2.85Å; S750-N753 PolarHBondContact O-ND2 3.43Å; I751-N753 PolarHBondContact O-N 3.32Å; I751-N753 VanDerWaalsContact O-N 3.13Å |
| 754 | Y | 97.3 | Very high | 97 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -36.8 | -173.8 | -52.4 | -74.7 | 0 | 0 | 0 | 113.2 | H677 C684 N688 I751 E752 | H677-Y754 PolarHBondContact CE1-OH 2.99Å; H677-Y754 PolarHBondContact NE2-OH 3.28Å; C684-Y754 HydrophobicContact CB-CG 4.27Å; N688-Y754 WeakPolarHBondContact CB-O 3.43Å; N688-Y754 PolarHBondContact ND2-O 3.21Å; I751-Y754 PolarHBondContact O-N 3.37Å; E752-Y754 PolarHBondContact O-N 3.05Å |
| 755 | V | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -129 | 137.3 | -175.2 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | C684 I687 N688 R703 L706 I751 I757 | C684-V755 HydrophobicContact CB-CG2 3.71Å; I687-V755 HydrophobicContact CG2-CG1 4.23Å; N688-V755 HydrophobicContact CB-CB 4.38Å; N688-V755 HydrophobicContact CB-CG1 4.08Å; N688-V755 HydrophobicContact CB-CG2 4.35Å; R703-V755 HydrophobicContact CB-CG1 3.98Å; L706-V755 HydrophobicContact CD2-CG2 4.03Å; I751-V755 PolarHBondContact O-N 3.13Å; V755-I757 VanDerWaalsContact C-N 3.25Å; V755-I757 HydrophobicContact CB-CD1 4.04Å; V755-I757 HydrophobicContact CB-CG1 4.37Å; V755-I757 HydrophobicContact CG1-CD1 3.56Å; V755-I757 HydrophobicContact CG1-CG1 3.82Å; V755-I757 PolarHBondContact O-N 3.42Å |
| 756 | T | 95.7 | Very high | 96.8 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 62% | 0.62 | 28% | 0.276 | S | S | * | . | trans | -74.4 | 76.9 | 178 | -40 | 0 | 0 | 0 | 0 | 110.3 | N688 R703 | N688-T756 PolarHBondContact OD1-N 3.11Å; N688-T756 PolarHBondContact OD1-OG1 3.35Å; N688-T756 VanDerWaalsContact OD1-OG1 3.05Å; R703-T756 VanDerWaalsContact CD-O 3.26Å; R703-T756 WeakPolarHBondContact CD-O 3.24Å | ||
| 757 | I | 95.4 | Very high | 96.8 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | trans | -129.8 | 150.2 | 179.3 | -69.3 | 166.8 | 0 | 0 | 0 | 108.4 | R703 L706 T707 V755 | R703-I757 HydrophobicContact CB-CD1 4.05Å; R703-I757 HydrophobicContact CB-CG1 3.92Å; L706-I757 HydrophobicContact CB-CD1 4.15Å; L706-I757 HydrophobicContact CD2-CD1 3.87Å; L706-I757 HydrophobicContact CG-CD1 4.1Å; T707-I757 HydrophobicContact CG2-CG2 4.29Å; T707-I757 WeakPolarHBondContact OG1-CD1 3.49Å; T707-I757 WeakPolarHBondContact OG1-CG2 3.38Å; V755-I757 VanDerWaalsContact C-N 3.25Å; V755-I757 HydrophobicContact CB-CD1 4.04Å; V755-I757 HydrophobicContact CB-CG1 4.37Å; V755-I757 HydrophobicContact CG1-CD1 3.56Å; V755-I757 HydrophobicContact CG1-CG1 3.82Å; V755-I757 PolarHBondContact O-N 3.42Å | ||
| 758 | D | 95.3 | Very high | 96.8 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | trans | -93.9 | 99.7 | 171.3 | 174.8 | 5.7 | 0 | 0 | 0 | 110 | T760 R761 | D758-T760 VanDerWaalsContact C-N 3.26Å; D758-T760 PolarHBondContact O-N 3.48Å; D758-T760 WeakPolarHBondContact OD1-CA 3.46Å; D758-T760 WeakPolarHBondContact OD1-CB 3.35Å; D758-T760 PolarHBondContact OD1-N 3.38Å; D758-R761 HydrophobicContact CB-CB 4.44Å; D758-R761 PolarHBondContact OD1-N 3.49Å; D758-R761 VanDerWaalsContact OD1-N 3.15Å; D758-R761 WeakPolarHBondContact OD2-CB 3.02Å | ||
| 759 | I | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.6 | -21.5 | 179.6 | -158.5 | 70.4 | 0 | 0 | 0 | 112.1 | L710 L748 Q749 E752 R761 V762 F763 | L710-I759 HydrophobicContact CD1-CD1 4.27Å; L748-I759 HydrophobicContact CB-CD1 4.05Å; L748-I759 HydrophobicContact CB-CG1 4.03Å; L748-I759 WeakPolarHBondContact O-CG1 3.32Å; Q749-I759 VanDerWaalsContact CD-CG2 3.46Å; Q749-I759 VanDerWaalsContact OE1-CG2 3.29Å; E752-I759 HydrophobicContact CG-CB 4.09Å; E752-I759 HydrophobicContact CG-CG2 3.88Å; E752-I759 WeakPolarHBondContact OE1-CG2 3.46Å; E752-I759 PolarHBondContact OE1-N 3.5Å; I759-R761 VanDerWaalsContact C-N 3.26Å; I759-R761 PolarHBondContact O-N 3.43Å; I759-V762 HydrophobicContact CD1-CB 4.03Å; I759-V762 HydrophobicContact CD1-CG1 4.18Å; I759-V762 HydrophobicContact CD1-CG2 4.22Å; I759-V762 WeakPolarHBondContact O-CB 3.4Å; I759-V762 PolarHBondContact O-N 3.05Å; I759-V762 VanDerWaalsContact O-N 3.12Å; I759-F763 HydrophobicContact CG1-CD1 4.5Å; I759-F763 HydrophobicContact CG1-CE1 3.91Å; I759-F763 HydrophobicContact CG1-CE2 4.18Å; I759-F763 HydrophobicContact CG1-CZ 3.72Å; I759-F763 HydrophobicContact CG2-CE2 3.99Å; I759-F763 HydrophobicContact CG2-CZ 4.29Å; I759-F763 WeakPolarHBondContact O-CG 3.5Å; I759-F763 PolarHBondContact O-N 2.85Å |
| 760 | T | 96.6 | Very high | 96.8 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 109.7 | D758 F763 N764 | D758-T760 VanDerWaalsContact C-N 3.26Å; D758-T760 PolarHBondContact O-N 3.48Å; D758-T760 WeakPolarHBondContact OD1-CA 3.46Å; D758-T760 WeakPolarHBondContact OD1-CB 3.35Å; D758-T760 PolarHBondContact OD1-N 3.38Å; T760-F763 PolarHBondContact O-N 2.98Å; T760-N764 PolarHBondContact O-N 3.14Å; T760-N764 PolarHBondContact O-ND2 3.5Å |
| 761 | R | 94.4 | Very high | 96.8 | Very high | 163 Ų | 163 | 52.4 Ų | 52.4 | 62% | 0.615 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 173.7 | -172.5 | 173.1 | 179.9 | -178.4 | -3 | 113 | D758 I759 F763 N764 N765 | D758-R761 HydrophobicContact CB-CB 4.44Å; D758-R761 PolarHBondContact OD1-N 3.49Å; D758-R761 VanDerWaalsContact OD1-N 3.15Å; D758-R761 WeakPolarHBondContact OD2-CB 3.02Å; I759-R761 VanDerWaalsContact C-N 3.26Å; I759-R761 PolarHBondContact O-N 3.43Å; R761-F763 VanDerWaalsContact C-N 3.35Å; R761-N764 PolarHBondContact O-N 2.97Å; R761-N765 WeakPolarHBondContact O-CB 3.37Å; R761-N765 VanDerWaalsContact O-CG 3.3Å; R761-N765 PolarHBondContact O-N 3.2Å |
| 762 | V | 96.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 174 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | T707 E711 I759 N765 V766 | T707-V762 HydrophobicContact CG2-CG2 3.8Å; E711-V762 HydrophobicContact CG-CB 4.23Å; E711-V762 HydrophobicContact CG-CG1 3.8Å; E711-V762 HydrophobicContact CG-CG2 4Å; I759-V762 HydrophobicContact CD1-CB 4.03Å; I759-V762 HydrophobicContact CD1-CG1 4.18Å; I759-V762 HydrophobicContact CD1-CG2 4.22Å; I759-V762 WeakPolarHBondContact O-CB 3.4Å; I759-V762 PolarHBondContact O-N 3.05Å; I759-V762 VanDerWaalsContact O-N 3.12Å; V762-N765 PolarHBondContact O-N 3.44Å; V762-V766 WeakPolarHBondContact O-CG2 3.48Å; V762-V766 PolarHBondContact O-N 3.05Å |
| 763 | F | 97.9 | Very high | 96.8 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.2 | -63.6 | -27.1 | 0 | 0 | 0 | 112.2 | F714 M745 L748 I759 T760 R761 N765 V766 L767 | F714-F763 HydrophobicContact CD1-CD1 4.33Å; F714-F763 AromaticContact CE1-CD1 3.8Å; F714-F763 HydrophobicContact CE1-CD1 3.8Å; F714-F763 HydrophobicContact CE1-CE1 4.19Å; M745-F763 HydrophobicContact CB-CE1 4.14Å; M745-F763 HydrophobicContact CB-CE2 4.44Å; M745-F763 HydrophobicContact CB-CZ 3.9Å; M745-F763 HydrophobicContact CE-CD1 4.44Å; M745-F763 HydrophobicContact CE-CD2 3.91Å; M745-F763 HydrophobicContact CE-CE2 4.12Å; M745-F763 HydrophobicContact CE-CG 4.08Å; M745-F763 HydrophobicContact CE-CZ 4.5Å; M745-F763 HydrophobicContact CG-CD1 4.28Å; M745-F763 HydrophobicContact CG-CE1 3.92Å; M745-F763 HydrophobicContact CG-CZ 4.14Å; M745-F763 WeakPolarHBondContact O-CZ 3.3Å; L748-F763 HydrophobicContact CB-CE1 3.72Å; L748-F763 HydrophobicContact CB-CZ 3.84Å; L748-F763 HydrophobicContact CD1-CE1 3.85Å; L748-F763 HydrophobicContact CG-CE1 4.45Å; I759-F763 HydrophobicContact CG1-CD1 4.5Å; I759-F763 HydrophobicContact CG1-CE1 3.91Å; I759-F763 HydrophobicContact CG1-CE2 4.18Å; I759-F763 HydrophobicContact CG1-CZ 3.72Å; I759-F763 HydrophobicContact CG2-CE2 3.99Å; I759-F763 HydrophobicContact CG2-CZ 4.29Å; I759-F763 WeakPolarHBondContact O-CG 3.5Å; I759-F763 PolarHBondContact O-N 2.85Å; T760-F763 PolarHBondContact O-N 2.98Å; R761-F763 VanDerWaalsContact C-N 3.35Å; F763-N765 VanDerWaalsContact C-N 3.34Å; F763-N765 PolarHBondContact O-N 3.4Å; F763-V766 PolarHBondContact O-N 3.22Å; F763-L767 HydrophobicContact CB-CD1 4.18Å; F763-L767 VanDerWaalsContact O-CB 3.26Å; F763-L767 WeakPolarHBondContact O-CB 3.31Å; F763-L767 WeakPolarHBondContact O-CG 3.42Å; F763-L767 PolarHBondContact O-N 3.33Å |
| 764 | N | 95.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 54.4 Ų | 54.4 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 177.8 | -69.6 | -24 | 0 | 0 | 0 | 111.5 | T760 R761 L768 | T760-N764 PolarHBondContact O-N 3.14Å; T760-N764 PolarHBondContact O-ND2 3.5Å; R761-N764 PolarHBondContact O-N 2.97Å; N764-L768 WeakPolarHBondContact O-CB 3.47Å; N764-L768 PolarHBondContact O-N 3.27Å |
| 765 | N | 94.7 | Very high | 96.8 | Very high | 57 Ų | 57 | 52.5 Ų | 52.5 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 179.9 | -77 | -11.2 | 0 | 0 | 0 | 111.9 | E711 R761 V762 F763 Q769 | E711-N765 PolarHBondContact OE1-ND2 3.27Å; R761-N765 WeakPolarHBondContact O-CB 3.37Å; R761-N765 VanDerWaalsContact O-CG 3.3Å; R761-N765 PolarHBondContact O-N 3.2Å; V762-N765 PolarHBondContact O-N 3.44Å; F763-N765 VanDerWaalsContact C-N 3.34Å; F763-N765 PolarHBondContact O-N 3.4Å; N765-Q769 WeakPolarHBondContact O-CG 3.28Å; N765-Q769 PolarHBondContact O-NE2 3.46Å |
| 766 | V | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.4 | -54.5 | -174.7 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | E711 F714 T715 I718 V762 F763 L768 Q769 Q770 | E711-V766 HydrophobicContact CB-CG2 4.21Å; E711-V766 HydrophobicContact CG-CG2 4.43Å; F714-V766 HydrophobicContact CB-CG1 4.32Å; F714-V766 HydrophobicContact CB-CG2 4.41Å; F714-V766 HydrophobicContact CD1-CB 3.87Å; F714-V766 HydrophobicContact CD1-CG1 3.6Å; F714-V766 HydrophobicContact CD1-CG2 4.14Å; F714-V766 HydrophobicContact CE1-CB 4.43Å; F714-V766 HydrophobicContact CE1-CG1 4.14Å; F714-V766 HydrophobicContact CG-CG1 4.07Å; T715-V766 WeakPolarHBondContact OG1-CG1 3.01Å; I718-V766 HydrophobicContact CD1-CG1 3.65Å; V762-V766 WeakPolarHBondContact O-CG2 3.48Å; V762-V766 PolarHBondContact O-N 3.05Å; F763-V766 PolarHBondContact O-N 3.22Å; V766-L768 PolarHBondContact O-N 3Å; V766-Q769 PolarHBondContact O-N 3.26Å; V766-Q770 WeakPolarHBondContact O-CG 3.43Å; V766-Q770 PolarHBondContact O-N 3.4Å |
| 767 | L | 98.1 | Very high | 96.6 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | -171.1 | -62 | 176 | 0 | 0 | 0 | 111.9 | F714 I718 V741 M745 F763 Q769 Q770 | F714-L767 HydrophobicContact CE1-CD2 3.94Å; F714-L767 HydrophobicContact CE1-CG 4.18Å; F714-L767 HydrophobicContact CZ-CD2 3.99Å; I718-L767 HydrophobicContact CD1-CD2 3.82Å; V741-L767 HydrophobicContact CG1-CD2 4.32Å; M745-L767 HydrophobicContact CE-CD1 3.82Å; M745-L767 HydrophobicContact SD-CD1 3.89Å; F763-L767 HydrophobicContact CB-CD1 4.18Å; F763-L767 VanDerWaalsContact O-CB 3.26Å; F763-L767 WeakPolarHBondContact O-CB 3.31Å; F763-L767 WeakPolarHBondContact O-CG 3.42Å; F763-L767 PolarHBondContact O-N 3.33Å; L767-Q769 VanDerWaalsContact C-N 3.33Å; L767-Q769 PolarHBondContact O-N 2.88Å; L767-Q770 WeakPolarHBondContact O-CB 3.36Å; L767-Q770 PolarHBondContact O-N 3.33Å |
| 768 | L | 97.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 178.4 | -174.2 | 61.4 | 0 | 0 | 0 | 111.5 | N764 V766 Q770 T771 Y844 | N764-L768 WeakPolarHBondContact O-CB 3.47Å; N764-L768 PolarHBondContact O-N 3.27Å; V766-L768 PolarHBondContact O-N 3Å; L768-Q770 VanDerWaalsContact C-N 3.27Å; L768-Q770 PolarHBondContact O-N 3.16Å; L768-T771 WeakPolarHBondContact O-CB 3.31Å; L768-T771 PolarHBondContact O-N 3.25Å; L768-T771 PolarHBondContact O-OG1 3.14Å; L768-Y844 HydrophobicContact CD1-CD2 4.19Å; L768-Y844 HydrophobicContact CD1-CE2 4.01Å |
| 769 | Q | 97.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 175.6 | -74 | -179.3 | 53.9 | 0 | 0 | 111.9 | N765 V766 L767 T771 Q772 D775 S776 T781 | N765-Q769 WeakPolarHBondContact O-CG 3.28Å; N765-Q769 PolarHBondContact O-NE2 3.46Å; V766-Q769 PolarHBondContact O-N 3.26Å; L767-Q769 VanDerWaalsContact C-N 3.33Å; L767-Q769 PolarHBondContact O-N 2.88Å; Q769-T771 PolarHBondContact O-N 2.9Å; Q769-T771 VanDerWaalsContact O-N 3.15Å; Q769-Q772 WeakPolarHBondContact O-CB 3.47Å; Q769-Q772 PolarHBondContact O-N 3.4Å; Q769-D775 HydrophobicContact CB-CB 4.29Å; Q769-S776 VanDerWaalsContact OE1-CB 3.24Å; Q769-S776 PolarHBondContact OE1-OG 3.46Å; Q769-T781 WeakPolarHBondContact O-CG2 3.35Å |
| 770 | Q | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -17.1 | 177.9 | -69.3 | -55.3 | -50.3 | 0 | 0 | 114.1 | I718 V766 L767 L768 Q772 I782 T783 | I718-Q770 HydrophobicContact CD1-CG 4.41Å; I718-Q770 HydrophobicContact CG2-CG 4.32Å; V766-Q770 WeakPolarHBondContact O-CG 3.43Å; V766-Q770 PolarHBondContact O-N 3.4Å; L767-Q770 WeakPolarHBondContact O-CB 3.36Å; L767-Q770 PolarHBondContact O-N 3.33Å; L768-Q770 VanDerWaalsContact C-N 3.27Å; L768-Q770 PolarHBondContact O-N 3.16Å; Q770-Q772 VanDerWaalsContact C-N 3.33Å; Q770-I782 HydrophobicContact CB-CD1 4.09Å; Q770-I782 HydrophobicContact CB-CG1 4.08Å; Q770-I782 VanDerWaalsContact OE1-N 3.1Å; Q770-T783 WeakPolarHBondContact O-CB 3.38Å; Q770-T783 PolarHBondContact O-OG1 3.38Å |
| 771 | T | 98.2 | Very high | 96.7 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -12.5 | 174.2 | 73.9 | 0 | 0 | 0 | 0 | 114.1 | L768 Q769 T783 L841 G845 | L768-T771 WeakPolarHBondContact O-CB 3.31Å; L768-T771 PolarHBondContact O-N 3.25Å; L768-T771 PolarHBondContact O-OG1 3.14Å; Q769-T771 PolarHBondContact O-N 2.9Å; Q769-T771 VanDerWaalsContact O-N 3.15Å; T771-T783 VanDerWaalsContact C-OG1 3.31Å; T771-T783 VanDerWaalsContact CA-OG1 3.28Å; T771-T783 WeakPolarHBondContact CA-OG1 3.28Å; T771-T783 PolarHBondContact O-OG1 3.06Å; T771-L841 VanDerWaalsContact CB-O 3.28Å; T771-L841 WeakPolarHBondContact CB-O 3.17Å; T771-L841 VanDerWaalsContact CG2-O 3.26Å; T771-L841 WeakPolarHBondContact CG2-O 3.36Å; T771-G845 WeakPolarHBondContact O-CA 3.5Å; T771-G845 PolarHBondContact O-N 2.93Å |
| 772 | Q | 97.9 | Very high | 96.9 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 35% | 0.346 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -89.1 | 166.4 | -179.7 | -56.9 | -55.8 | -59.2 | 0 | 0 | 110.9 | Q769 Q770 L774 T781 T783 | Q769-Q772 WeakPolarHBondContact O-CB 3.47Å; Q769-Q772 PolarHBondContact O-N 3.4Å; Q770-Q772 VanDerWaalsContact C-N 3.33Å; Q772-L774 VanDerWaalsContact C-N 3.34Å; Q772-L774 WeakPolarHBondContact CB-O 3.33Å; Q772-T781 WeakPolarHBondContact O-CB 3.47Å; Q772-T781 WeakPolarHBondContact O-CG2 3.24Å; Q772-T781 PolarHBondContact O-OG1 3.43Å; Q772-T783 WeakPolarHBondContact O-CB 3.45Å |
| 773 | H | 95.6 | Very high | 97 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -69.6 | -30.5 | 176.5 | 65.3 | -76.9 | 0 | 0 | 0 | 113.1 | S784 F848 | H773-S784 VanDerWaalsContact O-CB 3.31Å; H773-S784 WeakPolarHBondContact O-CB 3.38Å; H773-F848 HydrophobicContact CB-CD2 4.26Å; H773-F848 HydrophobicContact CB-CE1 4.31Å; H773-F848 HydrophobicContact CB-CE2 3.8Å; H773-F848 HydrophobicContact CB-CZ 3.82Å |
| 774 | L | 96.9 | Very high | 97 | Very high | 73 Ų | 73 | 53.5 Ų | 53.5 | 38% | 0.382 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -137.9 | 150.7 | 171.3 | -65.8 | 173.5 | 0 | 0 | 0 | 108.5 | Q772 E779 | Q772-L774 VanDerWaalsContact C-N 3.34Å; Q772-L774 WeakPolarHBondContact CB-O 3.33Å; L774-E779 WeakPolarHBondContact CA-O 3.44Å |
| 775 | D | 96.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | trans | -78.8 | -178.1 | 174.7 | 75.4 | 7.7 | 0 | 0 | 0 | 112.3 | Q769 H777 G778 E779 T781 | Q769-D775 HydrophobicContact CB-CB 4.29Å; D775-H777 PolarHBondContact O-N 3.07Å; D775-H777 VanDerWaalsContact O-N 3.14Å; D775-H777 WeakPolarHBondContact OD1-CA 3.27Å; D775-H777 WeakPolarHBondContact OD1-CB 3.37Å; D775-H777 PolarHBondContact OD1-N 3.25Å; D775-G778 PolarHBondContact O-N 2.77Å; D775-G778 PolarHBondContact OD1-N 2.94Å; D775-G778 VanDerWaalsContact OD1-N 3.08Å; D775-E779 PolarHBondContact N-O 3.38Å; D775-E779 PolarHBondContact OD1-N 2.83Å; D775-T781 HydrophobicContact CB-CG2 4.1Å | ||
| 776 | S | 95.6 | Very high | 97.3 | Very high | 85 Ų | 85 | 47.2 Ų | 47.2 | 59% | 0.594 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.5 | 179.8 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | Q769 | Q769-S776 VanDerWaalsContact OE1-CB 3.24Å; Q769-S776 PolarHBondContact OE1-OG 3.46Å |
| 777 | H | 94.6 | Very high | 97.3 | Very high | 149 Ų | 149 | 47.3 Ų | 47.3 | 69% | 0.69 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -2 | 174.9 | -58.3 | -61.1 | 0 | 0 | 0 | 112.7 | D775 E779 | D775-H777 PolarHBondContact O-N 3.07Å; D775-H777 VanDerWaalsContact O-N 3.14Å; D775-H777 WeakPolarHBondContact OD1-CA 3.27Å; D775-H777 WeakPolarHBondContact OD1-CB 3.37Å; D775-H777 PolarHBondContact OD1-N 3.25Å; H777-E779 VanDerWaalsContact C-N 3.35Å; H777-E779 HydrophobicContact CB-CG 4.31Å |
| 778 | G | 95.4 | Very high | 97.3 | Very high | 43 Ų | 43 | 48 Ų | 48 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 79.6 | 17.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | D775 | D775-G778 PolarHBondContact O-N 2.77Å; D775-G778 PolarHBondContact OD1-N 2.94Å; D775-G778 VanDerWaalsContact OD1-N 3.08Å |
| 779 | E | 96.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 43.3 Ų | 43.3 | 55% | 0.547 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -92.5 | 153.2 | -179.9 | -65.5 | -66.4 | 141.2 | 0 | 0 | 112 | L774 D775 H777 T781 | L774-E779 WeakPolarHBondContact CA-O 3.44Å; D775-E779 PolarHBondContact N-O 3.38Å; D775-E779 PolarHBondContact OD1-N 2.83Å; H777-E779 VanDerWaalsContact C-N 3.35Å; H777-E779 HydrophobicContact CB-CG 4.31Å; E779-T781 PolarHBondContact O-N 3.21Å |
| 780 | P | 96.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -63.3 | 133.7 | 178.3 | -21.4 | 33.2 | 0 | 0 | 0 | 113 | L785 | P780-L785 HydrophobicContact CB-CD2 4.23Å |
| 781 | T | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -98.4 | 167.2 | 176.4 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | Q769 Q772 D775 E779 T783 S784 L785 | Q769-T781 WeakPolarHBondContact O-CG2 3.35Å; Q772-T781 WeakPolarHBondContact O-CB 3.47Å; Q772-T781 WeakPolarHBondContact O-CG2 3.24Å; Q772-T781 PolarHBondContact O-OG1 3.43Å; D775-T781 HydrophobicContact CB-CG2 4.1Å; E779-T781 PolarHBondContact O-N 3.21Å; T781-T783 PolarHBondContact O-N 3.13Å; T781-T783 WeakPolarHBondContact OG1-CB 3.41Å; T781-T783 PolarHBondContact OG1-N 2.9Å; T781-S784 PolarHBondContact N-OG 3.38Å; T781-S784 PolarHBondContact O-N 2.9Å; T781-S784 VanDerWaalsContact O-N 3.09Å; T781-S784 PolarHBondContact O-OG 3.04Å; T781-S784 PolarHBondContact OG1-N 3.37Å; T781-L785 VanDerWaalsContact O-CG 3.32Å; T781-L785 WeakPolarHBondContact O-CG 3.38Å; T781-L785 PolarHBondContact O-N 2.73Å |
| 782 | I | 98.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.3 | -33.1 | 171.4 | 66.6 | -175 | 0 | 0 | 0 | 112.7 | I718 T722 Q770 S784 L785 Y786 L840 L841 | I718-I782 HydrophobicContact CG2-CD1 4.19Å; I718-I782 HydrophobicContact CG2-CG2 3.65Å; T722-I782 VanDerWaalsContact OG1-CG2 3.23Å; T722-I782 WeakPolarHBondContact OG1-CG2 3.35Å; Q770-I782 HydrophobicContact CB-CD1 4.09Å; Q770-I782 HydrophobicContact CB-CG1 4.08Å; Q770-I782 VanDerWaalsContact OE1-N 3.1Å; I782-S784 PolarHBondContact O-N 3.33Å; I782-L785 PolarHBondContact O-N 2.78Å; I782-Y786 HydrophobicContact CB-CD2 4.25Å; I782-Y786 HydrophobicContact CB-CE2 4.4Å; I782-Y786 WeakPolarHBondContact O-CB 3.49Å; I782-Y786 VanDerWaalsContact O-CD2 3.3Å; I782-Y786 WeakPolarHBondContact O-CD2 3.13Å; I782-Y786 PolarHBondContact O-N 3.09Å; I782-L840 HydrophobicContact CD1-CB 4.02Å; I782-L840 HydrophobicContact CD1-CD2 4.35Å; I782-L841 HydrophobicContact CG1-CD1 4.26Å |
| 783 | T | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -50 | 174.9 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | Q770 T771 Q772 T781 T787 L841 F848 | Q770-T783 WeakPolarHBondContact O-CB 3.38Å; Q770-T783 PolarHBondContact O-OG1 3.38Å; T771-T783 VanDerWaalsContact C-OG1 3.31Å; T771-T783 VanDerWaalsContact CA-OG1 3.28Å; T771-T783 WeakPolarHBondContact CA-OG1 3.28Å; T771-T783 PolarHBondContact O-OG1 3.06Å; Q772-T783 WeakPolarHBondContact O-CB 3.45Å; T781-T783 PolarHBondContact O-N 3.13Å; T781-T783 WeakPolarHBondContact OG1-CB 3.41Å; T781-T783 PolarHBondContact OG1-N 2.9Å; T783-T787 WeakPolarHBondContact O-CB 3.24Å; T783-T787 PolarHBondContact O-N 3.08Å; T783-T787 PolarHBondContact O-OG1 3.42Å; T783-L841 HydrophobicContact CG2-CD2 4.44Å; T783-L841 HydrophobicContact CG2-CG 4.41Å; T783-F848 HydrophobicContact CG2-CB 4.3Å; T783-F848 HydrophobicContact CG2-CD1 3.73Å; T783-F848 HydrophobicContact CG2-CG 4.32Å |
| 784 | S | 97.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 179 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | H773 T781 I782 N788 | H773-S784 VanDerWaalsContact O-CB 3.31Å; H773-S784 WeakPolarHBondContact O-CB 3.38Å; T781-S784 PolarHBondContact N-OG 3.38Å; T781-S784 PolarHBondContact O-N 2.9Å; T781-S784 VanDerWaalsContact O-N 3.09Å; T781-S784 PolarHBondContact O-OG 3.04Å; T781-S784 PolarHBondContact OG1-N 3.37Å; I782-S784 PolarHBondContact O-N 3.33Å; S784-N788 VanDerWaalsContact O-CB 3.31Å; S784-N788 WeakPolarHBondContact O-CB 3.44Å; S784-N788 PolarHBondContact O-N 3.4Å |
| 785 | L | 98.4 | Very high | 97.2 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -50.4 | -177.9 | -62.8 | 177.8 | 0 | 0 | 0 | 111.7 | V719 T722 Y724 I731 P780 T781 I782 N788 W789 | V719-L785 HydrophobicContact CG1-CD1 4.29Å; T722-L785 HydrophobicContact CG2-CD1 4.17Å; Y724-L785 HydrophobicContact CD1-CD2 3.6Å; Y724-L785 HydrophobicContact CE1-CD2 3.86Å; Y724-L785 HydrophobicContact CG-CB 4.48Å; Y724-L785 HydrophobicContact CG-CD2 4.05Å; I731-L785 HydrophobicContact CD1-CB 4.39Å; P780-L785 HydrophobicContact CB-CD2 4.23Å; T781-L785 VanDerWaalsContact O-CG 3.32Å; T781-L785 WeakPolarHBondContact O-CG 3.38Å; T781-L785 PolarHBondContact O-N 2.73Å; I782-L785 PolarHBondContact O-N 2.78Å; L785-N788 PolarHBondContact O-N 2.94Å; L785-W789 WeakPolarHBondContact O-CB 3.29Å; L785-W789 PolarHBondContact O-N 2.77Å |
| 786 | Y | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.1 | -81.7 | -69.7 | 0 | 0 | 0 | 111.6 | T722 I731 A732 P734 L737 I782 N788 W789 Y790 L837 | T722-Y786 HydrophobicContact CG2-CE2 3.96Å; I731-Y786 HydrophobicContact CD1-CD1 3.52Å; I731-Y786 HydrophobicContact CD1-CD2 4.39Å; I731-Y786 HydrophobicContact CD1-CE1 3.58Å; I731-Y786 HydrophobicContact CD1-CE2 4.43Å; I731-Y786 HydrophobicContact CD1-CG 3.94Å; I731-Y786 HydrophobicContact CG1-CD1 4.32Å; I731-Y786 HydrophobicContact CG1-CE1 3.87Å; I731-Y786 HydrophobicContact CG2-CE1 4.22Å; A732-Y786 VanDerWaalsContact O-CE1 3.32Å; A732-Y786 WeakPolarHBondContact O-CE1 3.08Å; A732-Y786 PolarHBondContact O-OH 3.09Å; P734-Y786 HydrophobicContact CG-CE1 3.93Å; L737-Y786 HydrophobicContact CD2-CE2 3.66Å; L737-Y786 WeakPolarHBondContact CD2-OH 3.42Å; I782-Y786 HydrophobicContact CB-CD2 4.25Å; I782-Y786 HydrophobicContact CB-CE2 4.4Å; I782-Y786 WeakPolarHBondContact O-CB 3.49Å; I782-Y786 VanDerWaalsContact O-CD2 3.3Å; I782-Y786 WeakPolarHBondContact O-CD2 3.13Å; I782-Y786 PolarHBondContact O-N 3.09Å; Y786-N788 VanDerWaalsContact C-N 3.33Å; Y786-N788 PolarHBondContact O-N 3.3Å; Y786-W789 PolarHBondContact O-N 3.19Å; Y786-Y790 AromaticContact CD1-CE2 3.95Å; Y786-Y790 HydrophobicContact CD1-CE2 3.95Å; Y786-Y790 HydrophobicContact CG-CE2 4.45Å; Y786-Y790 WeakPolarHBondContact O-CD2 3.36Å; Y786-Y790 PolarHBondContact O-N 3.25Å; Y786-L837 HydrophobicContact CD1-CD1 4.06Å; Y786-L837 HydrophobicContact CD2-CD1 3.94Å; Y786-L837 HydrophobicContact CG-CD1 3.7Å |
| 787 | T | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | T783 L791 F848 L849 S852 | T783-T787 WeakPolarHBondContact O-CB 3.24Å; T783-T787 PolarHBondContact O-N 3.08Å; T783-T787 PolarHBondContact O-OG1 3.42Å; T787-L791 HydrophobicContact CG2-CD1 4.12Å; T787-L791 WeakPolarHBondContact O-CG 3.44Å; T787-L791 PolarHBondContact O-N 2.83Å; T787-F848 HydrophobicContact CG2-CD1 4.09Å; T787-F848 HydrophobicContact CG2-CE1 3.84Å; T787-L849 HydrophobicContact CG2-CD1 4.02Å; T787-S852 WeakPolarHBondContact CG2-OG 3.19Å |
| 788 | N | 97.7 | Very high | 97.2 | Very high | 66 Ų | 66 | 27.8 Ų | 27.8 | 35% | 0.353 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.8 | -177.5 | 68.9 | 0 | 0 | 0 | 111.9 | Y724 S784 L785 Y786 L791 E792 | Y724-N788 PolarHBondContact OH-ND2 2.91Å; S784-N788 VanDerWaalsContact O-CB 3.31Å; S784-N788 WeakPolarHBondContact O-CB 3.44Å; S784-N788 PolarHBondContact O-N 3.4Å; L785-N788 PolarHBondContact O-N 2.94Å; Y786-N788 VanDerWaalsContact C-N 3.33Å; Y786-N788 PolarHBondContact O-N 3.3Å; N788-L791 PolarHBondContact O-N 2.89Å; N788-E792 WeakPolarHBondContact O-CB 3.28Å; N788-E792 PolarHBondContact O-N 3Å |
| 789 | W | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | -178.1 | -174.1 | 89.9 | 0 | 0 | 0 | 112.8 | Y724 Q729 I731 L785 Y786 L791 T793 L794 F823 Y828 | Y724-W789 HydrophobicContact CE2-CB 4.38Å; Q729-W789 PolarHBondContact O-NE1 2.97Å; I731-W789 HydrophobicContact CB-CD2 4.36Å; I731-W789 HydrophobicContact CB-CG 4.12Å; I731-W789 HydrophobicContact CD1-CB 4.01Å; I731-W789 HydrophobicContact CD1-CG 4.27Å; I731-W789 HydrophobicContact CG2-CB 4.49Å; I731-W789 HydrophobicContact CG2-CD2 3.42Å; I731-W789 VanDerWaalsContact CG2-CD2 3.42Å; I731-W789 VanDerWaalsContact CG2-CE2 3.44Å; I731-W789 HydrophobicContact CG2-CE3 3.9Å; I731-W789 HydrophobicContact CG2-CG 3.68Å; I731-W789 HydrophobicContact CG2-CH2 4.37Å; I731-W789 HydrophobicContact CG2-CZ2 3.95Å; I731-W789 HydrophobicContact CG2-CZ3 4.34Å; L785-W789 WeakPolarHBondContact O-CB 3.29Å; L785-W789 PolarHBondContact O-N 2.77Å; Y786-W789 PolarHBondContact O-N 3.19Å; W789-L791 VanDerWaalsContact C-N 3.3Å; W789-L791 PolarHBondContact O-N 2.96Å; W789-T793 HydrophobicContact CZ2-CG2 4.11Å; W789-T793 WeakPolarHBondContact O-CA 3.48Å; W789-T793 WeakPolarHBondContact O-CB 3.49Å; W789-T793 PolarHBondContact O-N 3.33Å; W789-T793 PolarHBondContact O-OG1 3.36Å; W789-L794 HydrophobicContact CH2-CB 4.46Å; W789-L794 HydrophobicContact CH2-CD1 4.39Å; W789-L794 HydrophobicContact CZ3-CB 4.13Å; W789-L794 HydrophobicContact CZ3-CD1 4.09Å; W789-L794 PolarHBondContact O-N 3.46Å; W789-F823 AromaticContact CH2-CD2 3.87Å; W789-F823 HydrophobicContact CH2-CD2 3.87Å; W789-F823 AromaticContact CH2-CE2 3.98Å; W789-F823 HydrophobicContact CH2-CE2 3.98Å; W789-F823 HydrophobicContact CH2-CG 4.35Å; W789-F823 HydrophobicContact CZ2-CD1 4.26Å; W789-F823 HydrophobicContact CZ2-CD2 4.02Å; W789-F823 HydrophobicContact CZ2-CE1 4.48Å; W789-F823 HydrophobicContact CZ2-CE2 4.25Å; W789-F823 HydrophobicContact CZ2-CG 4.04Å; W789-F823 HydrophobicContact CZ2-CZ 4.48Å; W789-Y828 AromaticContact CH2-CD1 3.61Å; W789-Y828 HydrophobicContact CH2-CD1 3.61Å; W789-Y828 AromaticContact CH2-CD2 3.93Å; W789-Y828 HydrophobicContact CH2-CD2 3.93Å; W789-Y828 HydrophobicContact CH2-CE1 4.03Å; W789-Y828 HydrophobicContact CH2-CE2 4.34Å; W789-Y828 AromaticContact CH2-CG 3.55Å; W789-Y828 HydrophobicContact CH2-CG 3.55Å; W789-Y828 HydrophobicContact CZ2-CD1 4.39Å; W789-Y828 HydrophobicContact CZ2-CE1 4.39Å; W789-Y828 AromaticContact CZ3-CD1 3.79Å; W789-Y828 HydrophobicContact CZ3-CD1 3.79Å; W789-Y828 AromaticContact CZ3-CG 3.9Å; W789-Y828 HydrophobicContact CZ3-CG 3.9Å |
| 790 | Y | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -61.8 | -38.3 | 177.6 | -80.7 | -64.7 | 0 | 0 | 0 | 112.3 | Y786 L794 L795 Y828 L837 F914 | Y786-Y790 AromaticContact CD1-CE2 3.95Å; Y786-Y790 HydrophobicContact CD1-CE2 3.95Å; Y786-Y790 HydrophobicContact CG-CE2 4.45Å; Y786-Y790 WeakPolarHBondContact O-CD2 3.36Å; Y786-Y790 PolarHBondContact O-N 3.25Å; Y790-L794 HydrophobicContact CD1-CB 4.3Å; Y790-L794 HydrophobicContact CD1-CD1 3.99Å; Y790-L794 HydrophobicContact CE1-CD1 4.07Å; Y790-L794 PolarHBondContact O-N 2.56Å; Y790-L795 WeakPolarHBondContact O-CB 3.5Å; Y790-L795 WeakPolarHBondContact O-CG 3.4Å; Y790-L795 PolarHBondContact O-N 2.65Å; Y790-Y828 WeakPolarHBondContact CE1-O 3.26Å; Y790-Y828 PolarHBondContact OH-O 3.07Å; Y790-L837 HydrophobicContact CD2-CD2 4.29Å; Y790-L837 HydrophobicContact CE2-CD1 4.11Å; Y790-L837 HydrophobicContact CE2-CD2 3.47Å; Y790-L837 VanDerWaalsContact CE2-CD2 3.47Å; Y790-L837 HydrophobicContact CE2-CG 4.42Å; Y790-F914 HydrophobicContact CD1-CE1 4.44Å; Y790-F914 AromaticContact CD1-CE2 3.67Å; Y790-F914 HydrophobicContact CD1-CE2 3.67Å; Y790-F914 AromaticContact CD1-CZ 3.38Å; Y790-F914 HydrophobicContact CD1-CZ 3.38Å; Y790-F914 HydrophobicContact CD2-CZ 4.16Å; Y790-F914 AromaticContact CE1-CE2 3.9Å; Y790-F914 HydrophobicContact CE1-CE2 3.9Å; Y790-F914 AromaticContact CE1-CZ 3.79Å; Y790-F914 HydrophobicContact CE1-CZ 3.79Å; Y790-F914 HydrophobicContact CG-CE1 4.32Å; Y790-F914 HydrophobicContact CG-CE2 4.34Å; Y790-F914 AromaticContact CG-CZ 3.59Å; Y790-F914 HydrophobicContact CG-CZ 3.59Å |
| 791 | L | 96.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -74 | -57.2 | 178.4 | -72.4 | 169.2 | 0 | 0 | 0 | 112.1 | T787 N788 W789 L795 R796 L853 | T787-L791 HydrophobicContact CG2-CD1 4.12Å; T787-L791 WeakPolarHBondContact O-CG 3.44Å; T787-L791 PolarHBondContact O-N 2.83Å; N788-L791 PolarHBondContact O-N 2.89Å; W789-L791 VanDerWaalsContact C-N 3.3Å; W789-L791 PolarHBondContact O-N 2.96Å; L791-L795 HydrophobicContact CD2-CD1 4.13Å; L791-R796 PolarHBondContact O-N 2.9Å; L791-L853 HydrophobicContact CD2-CD2 3.6Å; L791-L853 HydrophobicContact CD2-CG 4.38Å |
| 792 | E | 95.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 27.9 Ų | 27.9 | 35% | 0.346 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -82.5 | -17 | -169.9 | -65.7 | -58.4 | 136.9 | 0 | 0 | 113.5 | N788 R796 H856 | N788-E792 WeakPolarHBondContact O-CB 3.28Å; N788-E792 PolarHBondContact O-N 3Å; E792-R796 WeakPolarHBondContact O-CB 3.48Å; E792-R796 PolarHBondContact O-NE 3.09Å; E792-R796 PolarHBondContact O-NH2 3.39Å; E792-R796 VanDerWaalsContact O-NH2 3.08Å; E792-R796 IonicContact OE2-NH1 3.87Å; E792-H856 IonicContact OE1-CE1 3.84Å |
| 793 | T | 96.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -111.4 | -70.8 | 178 | -50 | 0 | 0 | 0 | 0 | 110.3 | Q729 W789 Q797 F823 | Q729-T793 HydrophobicContact CB-CG2 3.94Å; W789-T793 HydrophobicContact CZ2-CG2 4.11Å; W789-T793 WeakPolarHBondContact O-CA 3.48Å; W789-T793 WeakPolarHBondContact O-CB 3.49Å; W789-T793 PolarHBondContact O-N 3.33Å; W789-T793 PolarHBondContact O-OG1 3.36Å; T793-Q797 WeakPolarHBondContact O-CG 3.43Å; T793-Q797 PolarHBondContact O-N 3.25Å; T793-Q797 VanDerWaalsContact O-N 3.12Å; T793-F823 HydrophobicContact CG2-CD1 4.19Å; T793-F823 HydrophobicContact CG2-CE1 3.49Å; T793-F823 VanDerWaalsContact CG2-CE1 3.49Å; T793-F823 HydrophobicContact CG2-CZ 3.98Å |
| 794 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -63.4 | -59.2 | -171.3 | -170.2 | 153.5 | 0 | 0 | 0 | 112.6 | W789 Y790 R796 Q797 V798 F812 F823 A825 | W789-L794 HydrophobicContact CH2-CB 4.46Å; W789-L794 HydrophobicContact CH2-CD1 4.39Å; W789-L794 HydrophobicContact CZ3-CB 4.13Å; W789-L794 HydrophobicContact CZ3-CD1 4.09Å; W789-L794 PolarHBondContact O-N 3.46Å; Y790-L794 HydrophobicContact CD1-CB 4.3Å; Y790-L794 HydrophobicContact CD1-CD1 3.99Å; Y790-L794 HydrophobicContact CE1-CD1 4.07Å; Y790-L794 PolarHBondContact O-N 2.56Å; L794-R796 VanDerWaalsContact C-N 3.32Å; L794-R796 PolarHBondContact O-N 3.03Å; L794-Q797 PolarHBondContact O-N 3.08Å; L794-Q797 VanDerWaalsContact O-N 3.16Å; L794-V798 HydrophobicContact CD2-CG2 4.27Å; L794-V798 WeakPolarHBondContact O-CG2 3.41Å; L794-V798 PolarHBondContact O-N 2.98Å; L794-V798 VanDerWaalsContact O-N 3.11Å; L794-F812 HydrophobicContact CD2-CB 4.42Å; L794-F812 HydrophobicContact CD2-CG 4.29Å; L794-F823 HydrophobicContact CB-CE2 4.45Å; L794-F823 HydrophobicContact CD1-CE2 4.45Å; L794-F823 HydrophobicContact CG-CE2 4.33Å; L794-A825 HydrophobicContact CD1-CB 4.48Å |
| 795 | L | 97.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -70.6 | -28.6 | -174.7 | -67.7 | 173.1 | 0 | 0 | 0 | 113 | Y790 L791 V798 S799 F812 L853 V910 F914 | Y790-L795 WeakPolarHBondContact O-CB 3.5Å; Y790-L795 WeakPolarHBondContact O-CG 3.4Å; Y790-L795 PolarHBondContact O-N 2.65Å; L791-L795 HydrophobicContact CD2-CD1 4.13Å; L795-V798 WeakPolarHBondContact O-CB 3.41Å; L795-V798 PolarHBondContact O-N 3.5Å; L795-S799 PolarHBondContact O-N 3.21Å; L795-S799 VanDerWaalsContact O-N 3.13Å; L795-S799 PolarHBondContact O-OG 3.02Å; L795-F812 HydrophobicContact CD2-CZ 4.36Å; L795-L853 HydrophobicContact CD1-CD2 3.4Å; L795-V910 HydrophobicContact CD2-CG1 4.06Å; L795-F914 HydrophobicContact CD1-CD1 4.08Å; L795-F914 HydrophobicContact CD1-CG 4.26Å; L795-F914 HydrophobicContact CD2-CB 3.92Å; L795-F914 HydrophobicContact CD2-CD2 4.34Å; L795-F914 HydrophobicContact CD2-CG 4.07Å |
| 796 | R | 95.1 | Very high | 96.3 | Very high | 101 Ų | 101 | 27.5 Ų | 27.5 | 38% | 0.381 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 171 | -168.5 | 172.8 | 66.5 | 174.3 | -3 | 111.5 | L791 E792 L794 V798 S799 N800 | L791-R796 PolarHBondContact O-N 2.9Å; E792-R796 WeakPolarHBondContact O-CB 3.48Å; E792-R796 PolarHBondContact O-NE 3.09Å; E792-R796 PolarHBondContact O-NH2 3.39Å; E792-R796 VanDerWaalsContact O-NH2 3.08Å; E792-R796 IonicContact OE2-NH1 3.87Å; L794-R796 VanDerWaalsContact C-N 3.32Å; L794-R796 PolarHBondContact O-N 3.03Å; R796-V798 VanDerWaalsContact C-N 3.33Å; R796-V798 PolarHBondContact O-N 2.84Å; R796-S799 WeakPolarHBondContact O-CB 3.23Å; R796-S799 PolarHBondContact O-N 2.92Å; R796-S799 VanDerWaalsContact O-N 3.12Å; R796-N800 PolarHBondContact O-N 3.18Å |
| 797 | Q | 95.4 | Very high | 96.1 | Very high | 30 Ų | 30 | 29.1 Ų | 29.1 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.2 | -26 | 177.8 | -62.9 | -62.4 | -4.9 | 0 | 0 | 113.2 | T793 L794 S799 N800 G801 H802 I803 L821 | T793-Q797 WeakPolarHBondContact O-CG 3.43Å; T793-Q797 PolarHBondContact O-N 3.25Å; T793-Q797 VanDerWaalsContact O-N 3.12Å; L794-Q797 PolarHBondContact O-N 3.08Å; L794-Q797 VanDerWaalsContact O-N 3.16Å; Q797-S799 VanDerWaalsContact C-N 3.33Å; Q797-N800 PolarHBondContact O-N 3.03Å; Q797-N800 PolarHBondContact OE1-ND2 2.95Å; Q797-G801 PolarHBondContact O-N 3.14Å; Q797-H802 PolarHBondContact O-N 3.48Å; Q797-H802 VanDerWaalsContact O-N 3.16Å; Q797-H802 PolarHBondContact OE1-CD2 3.1Å; Q797-I803 HydrophobicContact CB-CD1 3.64Å; Q797-I803 HydrophobicContact CB-CG1 4.3Å; Q797-L821 HydrophobicContact CB-CD2 3.97Å; Q797-L821 HydrophobicContact CG-CD2 3.6Å |
| 798 | V | 96 | Very high | 95.8 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 165.8 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | L794 L795 R796 N800 G801 I803 F812 V910 | L794-V798 HydrophobicContact CD2-CG2 4.27Å; L794-V798 WeakPolarHBondContact O-CG2 3.41Å; L794-V798 PolarHBondContact O-N 2.98Å; L794-V798 VanDerWaalsContact O-N 3.11Å; L795-V798 WeakPolarHBondContact O-CB 3.41Å; L795-V798 PolarHBondContact O-N 3.5Å; R796-V798 VanDerWaalsContact C-N 3.33Å; R796-V798 PolarHBondContact O-N 2.84Å; V798-N800 VanDerWaalsContact C-N 3.25Å; V798-N800 PolarHBondContact O-N 3.14Å; V798-G801 PolarHBondContact O-N 3.1Å; V798-I803 HydrophobicContact CB-CB 4.38Å; V798-I803 HydrophobicContact CG2-CB 3.68Å; V798-I803 HydrophobicContact CG2-CD1 4.5Å; V798-I803 HydrophobicContact CG2-CG2 3.68Å; V798-F812 HydrophobicContact CG1-CE1 4.24Å; V798-F812 HydrophobicContact CG2-CD1 3.63Å; V798-F812 HydrophobicContact CG2-CE1 3.86Å; V798-V910 HydrophobicContact CB-CG1 4.14Å; V798-V910 HydrophobicContact CG1-CB 4.34Å; V798-V910 HydrophobicContact CG1-CG1 3.5Å; V798-V910 VanDerWaalsContact CG1-CG1 3.5Å; V798-V910 HydrophobicContact CG1-CG2 3.9Å |
| 799 | S | 92.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 33.1 Ų | 33.1 | 34% | 0.336 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.9 | -26.2 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | L795 R796 Q797 | L795-S799 PolarHBondContact O-N 3.21Å; L795-S799 VanDerWaalsContact O-N 3.13Å; L795-S799 PolarHBondContact O-OG 3.02Å; R796-S799 WeakPolarHBondContact O-CB 3.23Å; R796-S799 PolarHBondContact O-N 2.92Å; R796-S799 VanDerWaalsContact O-N 3.12Å; Q797-S799 VanDerWaalsContact C-N 3.33Å |
| 800 | N | 92.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 50% | 0.497 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.6 | 172.5 | -66.8 | -16.4 | 0 | 0 | 0 | 113.1 | R796 Q797 V798 | R796-N800 PolarHBondContact O-N 3.18Å; Q797-N800 PolarHBondContact O-N 3.03Å; Q797-N800 PolarHBondContact OE1-ND2 2.95Å; V798-N800 VanDerWaalsContact C-N 3.25Å; V798-N800 PolarHBondContact O-N 3.14Å |
| 801 | G | 91.6 | Very high | 95.4 | Very high | 36 Ų | 36 | 36.5 Ų | 36.5 | 37% | 0.371 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 16.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q797 V798 | Q797-G801 PolarHBondContact O-N 3.14Å; V798-G801 PolarHBondContact O-N 3.1Å |
| 802 | H | 94.3 | Very high | 95.5 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -94.7 | -13.5 | 178.4 | -58.5 | -51.2 | 0 | 0 | 0 | 113.5 | Q797 L815 T817 N819 L821 | Q797-H802 PolarHBondContact O-N 3.48Å; Q797-H802 VanDerWaalsContact O-N 3.16Å; Q797-H802 PolarHBondContact OE1-CD2 3.1Å; H802-L815 WeakPolarHBondContact O-CB 3.34Å; H802-L815 PolarHBondContact O-N 3.18Å; H802-T817 PolarHBondContact ND1-OG1 3.37Å; H802-N819 HydrophobicContact CB-CB 4.42Å; H802-L821 HydrophobicContact CB-CD1 3.85Å; H802-L821 HydrophobicContact CB-CG 4.48Å |
| 803 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144.5 | -176.8 | -55.9 | 171.3 | 0 | 0 | 0 | 107.9 | Q797 V798 F812 V813 L821 F823 A825 N1026 | Q797-I803 HydrophobicContact CB-CD1 3.64Å; Q797-I803 HydrophobicContact CB-CG1 4.3Å; V798-I803 HydrophobicContact CB-CB 4.38Å; V798-I803 HydrophobicContact CG2-CB 3.68Å; V798-I803 HydrophobicContact CG2-CD1 4.5Å; V798-I803 HydrophobicContact CG2-CG2 3.68Å; I803-F812 HydrophobicContact CG2-CB 3.81Å; I803-F812 HydrophobicContact CG2-CD1 4.12Å; I803-F812 HydrophobicContact CG2-CG 4.47Å; I803-V813 WeakPolarHBondContact CA-O 3.29Å; I803-V813 WeakPolarHBondContact CG2-O 3.47Å; I803-L821 HydrophobicContact CD1-CD1 4.3Å; I803-L821 HydrophobicContact CG1-CD1 4Å; I803-F823 HydrophobicContact CD1-CE2 4.13Å; I803-F823 HydrophobicContact CD1-CZ 3.92Å; I803-A825 HydrophobicContact CD1-CB 4.06Å; I803-A825 HydrophobicContact CG1-CB 4.38Å; I803-A825 HydrophobicContact CG2-CB 3.67Å; I803-N1026 PolarHBondContact O-ND2 3.27Å |
| 804 | A | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F806 F812 V813 L815 N1026 | A804-F806 HydrophobicContact CB-CD1 4.29Å; A804-F806 HydrophobicContact CB-CE1 3.97Å; A804-F812 CarbonylContact O-C 3.5Å; A804-F812 WeakPolarHBondContact O-CA 3.41Å; A804-V813 PolarHBondContact N-O 3.46Å; A804-V813 PolarHBondContact O-N 3.46Å; A804-L815 HydrophobicContact CB-CD1 3.94Å; A804-L815 HydrophobicContact CB-CD2 3.86Å; A804-L815 HydrophobicContact CB-CG 3.96Å; A804-N1026 WeakPolarHBondContact CA-OD1 3.5Å; A804-N1026 WeakPolarHBondContact CB-OD1 3.38Å |
| 805 | Y | 98.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 124.7 | 172.9 | 175.3 | -128.3 | 0 | 0 | 0 | 109.6 | P807 A811 F812 L917 N1026 H1028 | Y805-P807 HydrophobicContact CD1-CG 4.03Å; Y805-P807 HydrophobicContact CE1-CB 4.36Å; Y805-P807 HydrophobicContact CE1-CG 3.7Å; Y805-P807 WeakPolarHBondContact O-CD 3.17Å; Y805-A811 WeakPolarHBondContact CD2-O 3.44Å; Y805-F812 HydrophobicContact CD2-CD2 4.16Å; Y805-F812 AromaticContact CD2-CE2 3.92Å; Y805-F812 HydrophobicContact CD2-CE2 3.92Å; Y805-F812 HydrophobicContact CD2-CZ 4.19Å; Y805-F812 HydrophobicContact CG-CE1 4.46Å; Y805-F812 HydrophobicContact CG-CE2 4.4Å; Y805-F812 HydrophobicContact CG-CZ 4.2Å; Y805-L917 HydrophobicContact CD2-CD1 4.29Å; Y805-L917 HydrophobicContact CE2-CD1 3.84Å; Y805-L917 HydrophobicContact CE2-CD2 4.12Å; Y805-L917 HydrophobicContact CE2-CG 4.14Å; Y805-N1026 PolarHBondContact N-OD1 3.39Å; Y805-H1028 AromaticContact CD1-NE2 3.88Å; Y805-H1028 PolarHBondContact O-CE1 3.41Å; Y805-H1028 PolarHBondContact O-NE2 2.7Å |
| 806 | F | 97.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 95.7 | 178 | -78.3 | 38.7 | 0 | 0 | 0 | 108.6 | A804 A808 M809 K810 A811 V813 L815 I1020 | A804-F806 HydrophobicContact CB-CD1 4.29Å; A804-F806 HydrophobicContact CB-CE1 3.97Å; F806-A808 PolarHBondContact O-N 2.94Å; F806-M809 HydrophobicContact CB-CB 4.1Å; F806-M809 HydrophobicContact CB-CG 4.41Å; F806-M809 HydrophobicContact CD2-CG 4.37Å; F806-M809 HydrophobicContact CD2-SD 3.95Å; F806-M809 PolarHBondContact O-N 2.84Å; F806-K810 PolarHBondContact O-N 3.16Å; F806-A811 PolarHBondContact N-O 2.81Å; F806-A811 PolarHBondContact O-N 3.3Å; F806-V813 HydrophobicContact CB-CG2 3.97Å; F806-V813 HydrophobicContact CD1-CB 3.91Å; F806-V813 HydrophobicContact CD1-CG2 4.01Å; F806-V813 HydrophobicContact CD2-CB 4.19Å; F806-V813 HydrophobicContact CD2-CG2 3.82Å; F806-V813 HydrophobicContact CE1-CB 3.9Å; F806-V813 HydrophobicContact CE1-CG2 4.44Å; F806-V813 HydrophobicContact CE2-CB 4.16Å; F806-V813 HydrophobicContact CE2-CG1 4.23Å; F806-V813 HydrophobicContact CE2-CG2 4.26Å; F806-V813 HydrophobicContact CG-CB 4.06Å; F806-V813 HydrophobicContact CG-CG2 3.68Å; F806-V813 HydrophobicContact CZ-CB 4.01Å; F806-V813 HydrophobicContact CZ-CG1 4.2Å; F806-L815 HydrophobicContact CE1-CD2 4.32Å; F806-I1020 HydrophobicContact CD1-CB 4.4Å; F806-I1020 HydrophobicContact CD1-CG1 4.19Å; F806-I1020 HydrophobicContact CD1-CG2 3.77Å; F806-I1020 HydrophobicContact CD2-CB 4.43Å; F806-I1020 HydrophobicContact CD2-CG1 4.17Å; F806-I1020 HydrophobicContact CE1-CB 4.47Å; F806-I1020 HydrophobicContact CE1-CD1 3.92Å; F806-I1020 HydrophobicContact CE1-CG1 3.78Å; F806-I1020 HydrophobicContact CE1-CG2 4.11Å; F806-I1020 HydrophobicContact CE2-CG1 3.78Å; F806-I1020 HydrophobicContact CG-CB 4.38Å; F806-I1020 HydrophobicContact CG-CG1 4.38Å; F806-I1020 HydrophobicContact CG-CG2 4.01Å; F806-I1020 HydrophobicContact CZ-CD1 3.95Å; F806-I1020 HydrophobicContact CZ-CG1 3.58Å |
| 807 | P | 95.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -50 | -39.5 | 171.2 | -27.3 | 30.7 | 0 | 0 | 0 | 113 | Y805 M809 K810 I1020 E1021 | Y805-P807 HydrophobicContact CD1-CG 4.03Å; Y805-P807 HydrophobicContact CE1-CB 4.36Å; Y805-P807 HydrophobicContact CE1-CG 3.7Å; Y805-P807 WeakPolarHBondContact O-CD 3.17Å; P807-M809 PolarHBondContact O-N 2.66Å; P807-K810 PolarHBondContact O-N 3.27Å; P807-K810 VanDerWaalsContact O-N 3.14Å; P807-I1020 VanDerWaalsContact CD-O 3.27Å; P807-I1020 WeakPolarHBondContact CD-O 3.32Å; P807-E1021 HydrophobicContact CB-CB 4.48Å |
| 808 | A | 92.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 47.6 Ų | 47.6 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -57.7 | -35.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F806 I1020 E1021 | F806-A808 PolarHBondContact O-N 2.94Å; A808-I1020 PolarHBondContact N-O 2.97Å; A808-E1021 HydrophobicContact CB-CB 3.92Å; A808-E1021 HydrophobicContact CB-CG 3.75Å |
| 809 | M | 92.9 | Very high | 93.4 | Very high | 106 Ų | 106 | 49.9 Ų | 49.9 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -101.2 | -4.9 | -179 | -64.9 | -174.7 | 66 | 0 | 0 | 112.9 | F806 P807 A811 V813 | F806-M809 HydrophobicContact CB-CB 4.1Å; F806-M809 HydrophobicContact CB-CG 4.41Å; F806-M809 HydrophobicContact CD2-CG 4.37Å; F806-M809 HydrophobicContact CD2-SD 3.95Å; F806-M809 PolarHBondContact O-N 2.84Å; P807-M809 PolarHBondContact O-N 2.66Å; M809-A811 HydrophobicContact CB-CB 4.46Å; M809-A811 PolarHBondContact O-N 2.99Å; M809-V813 HydrophobicContact SD-CG2 4.06Å |
| 810 | K | 95.9 | Very high | 93.1 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 45.7 | -171.5 | -71.9 | -71.1 | -154.4 | 158.5 | 0 | 112.1 | F806 P807 I831 L917 E920 | F806-K810 PolarHBondContact O-N 3.16Å; P807-K810 PolarHBondContact O-N 3.27Å; P807-K810 VanDerWaalsContact O-N 3.14Å; K810-I831 HydrophobicContact CB-CD1 3.88Å; K810-I831 HydrophobicContact CB-CG1 3.83Å; K810-I831 HydrophobicContact CG-CD1 4.3Å; K810-L917 HydrophobicContact CB-CD2 4.21Å; K810-L917 HydrophobicContact CD-CD2 4.14Å; K810-L917 WeakPolarHBondContact O-CD2 3.37Å; K810-E920 IonicContact NZ-OE1 3.9Å; K810-E920 PolarHBondContact NZ-OE1 3.47Å; K810-E920 VanDerWaalsContact NZ-OE1 3.16Å; K810-E920 IonicContact NZ-OE2 2.92Å; K810-E920 PolarHBondContact NZ-OE2 3.42Å |
| 811 | A | 97.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 165 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y805 F806 M809 D830 | Y805-A811 WeakPolarHBondContact CD2-O 3.44Å; F806-A811 PolarHBondContact N-O 2.81Å; F806-A811 PolarHBondContact O-N 3.3Å; M809-A811 HydrophobicContact CB-CB 4.46Å; M809-A811 PolarHBondContact O-N 2.99Å; A811-D830 HydrophobicContact CB-CB 4.01Å |
| 812 | F | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.6 | 161.3 | -74.6 | -99.5 | 0 | 0 | 0 | 109.5 | L794 L795 V798 I803 A804 Y805 A825 E826 S829 V910 F914 L917 | L794-F812 HydrophobicContact CD2-CB 4.42Å; L794-F812 HydrophobicContact CD2-CG 4.29Å; L795-F812 HydrophobicContact CD2-CZ 4.36Å; V798-F812 HydrophobicContact CG1-CE1 4.24Å; V798-F812 HydrophobicContact CG2-CD1 3.63Å; V798-F812 HydrophobicContact CG2-CE1 3.86Å; I803-F812 HydrophobicContact CG2-CB 3.81Å; I803-F812 HydrophobicContact CG2-CD1 4.12Å; I803-F812 HydrophobicContact CG2-CG 4.47Å; A804-F812 CarbonylContact O-C 3.5Å; A804-F812 WeakPolarHBondContact O-CA 3.41Å; Y805-F812 HydrophobicContact CD2-CD2 4.16Å; Y805-F812 AromaticContact CD2-CE2 3.92Å; Y805-F812 HydrophobicContact CD2-CE2 3.92Å; Y805-F812 HydrophobicContact CD2-CZ 4.19Å; Y805-F812 HydrophobicContact CG-CE1 4.46Å; Y805-F812 HydrophobicContact CG-CE2 4.4Å; Y805-F812 HydrophobicContact CG-CZ 4.2Å; F812-A825 HydrophobicContact CB-CB 4.1Å; F812-A825 CarbonylContact O-C 3.59Å; F812-A825 WeakPolarHBondContact O-CB 3.48Å; F812-E826 WeakPolarHBondContact O-CA 3.42Å; F812-E826 PolarHBondContact O-N 2.99Å; F812-S829 WeakPolarHBondContact CB-OG 3.39Å; F812-S829 PolarHBondContact N-OG 2.95Å; F812-S829 PolarHBondContact O-OG 2.78Å; F812-V910 HydrophobicContact CE1-CG1 3.96Å; F812-V910 HydrophobicContact CZ-CG1 4.25Å; F812-F914 HydrophobicContact CD2-CD2 4.12Å; F812-F914 HydrophobicContact CE2-CB 3.7Å; F812-F914 AromaticContact CE2-CD2 3.83Å; F812-F914 HydrophobicContact CE2-CD2 3.83Å; F812-F914 HydrophobicContact CE2-CG 4.27Å; F812-F914 HydrophobicContact CZ-CB 3.93Å; F812-L917 HydrophobicContact CD2-CD1 4.04Å; F812-L917 HydrophobicContact CE2-CD1 4.01Å |
| 813 | V | 97.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 9% | 0.085 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141 | -173.8 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | I803 A804 F806 M809 L815 E826 | I803-V813 WeakPolarHBondContact CA-O 3.29Å; I803-V813 WeakPolarHBondContact CG2-O 3.47Å; A804-V813 PolarHBondContact N-O 3.46Å; A804-V813 PolarHBondContact O-N 3.46Å; F806-V813 HydrophobicContact CB-CG2 3.97Å; F806-V813 HydrophobicContact CD1-CB 3.91Å; F806-V813 HydrophobicContact CD1-CG2 4.01Å; F806-V813 HydrophobicContact CD2-CB 4.19Å; F806-V813 HydrophobicContact CD2-CG2 3.82Å; F806-V813 HydrophobicContact CE1-CB 3.9Å; F806-V813 HydrophobicContact CE1-CG2 4.44Å; F806-V813 HydrophobicContact CE2-CB 4.16Å; F806-V813 HydrophobicContact CE2-CG1 4.23Å; F806-V813 HydrophobicContact CE2-CG2 4.26Å; F806-V813 HydrophobicContact CG-CB 4.06Å; F806-V813 HydrophobicContact CG-CG2 3.68Å; F806-V813 HydrophobicContact CZ-CB 4.01Å; F806-V813 HydrophobicContact CZ-CG1 4.2Å; M809-V813 HydrophobicContact SD-CG2 4.06Å; V813-L815 PolarHBondContact O-N 3.4Å; V813-E826 HydrophobicContact CG2-CB 4.42Å |
| 814 | N | 95.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 133.6 | 176.4 | -71.9 | 15.7 | 0 | 0 | 0 | 110.8 | F823 A825 | N814-F823 PolarHBondContact ND2-O 2.78Å; N814-A825 VanDerWaalsContact OD1-CB 3.24Å; N814-A825 WeakPolarHBondContact OD1-CB 3.34Å; N814-A825 PolarHBondContact OD1-N 3.48Å |
| 815 | L | 92.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | trans | -85.5 | 148.7 | 173.5 | -67.8 | 176.7 | 0 | 0 | 0 | 110.5 | H802 A804 F806 V813 T817 C1024 | H802-L815 WeakPolarHBondContact O-CB 3.34Å; H802-L815 PolarHBondContact O-N 3.18Å; A804-L815 HydrophobicContact CB-CD1 3.94Å; A804-L815 HydrophobicContact CB-CD2 3.86Å; A804-L815 HydrophobicContact CB-CG 3.96Å; F806-L815 HydrophobicContact CE1-CD2 4.32Å; V813-L815 PolarHBondContact O-N 3.4Å; L815-T817 HydrophobicContact CB-CG2 4.08Å; L815-T817 PolarHBondContact O-N 3.2Å; L815-C1024 WeakPolarHBondContact CD1-O 3.44Å | ||
| 816 | P | 88.3 | Confident | 92.7 | Very high | 136 Ų | 136 | 61.2 Ų | 61.2 | 88% | 0.883 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -76.1 | 65.2 | 177.4 | 33.4 | -36.4 | 0 | 0 | 0 | 111.3 | ||
| 817 | T | 86.8 | Confident | 92.6 | Very high | 54 Ų | 54 | 63.3 Ų | 63.3 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -104.7 | 154.6 | 174.6 | 61.7 | 0 | 0 | 0 | 0 | 110 | H802 L815 N819 | H802-T817 PolarHBondContact ND1-OG1 3.37Å; L815-T817 HydrophobicContact CB-CG2 4.08Å; L815-T817 PolarHBondContact O-N 3.2Å; T817-N819 PolarHBondContact O-N 3.01Å; T817-N819 PolarHBondContact O-ND2 3.4Å; T817-N819 PolarHBondContact OG1-ND2 3.17Å |
| 818 | E | 82.3 | Confident | 92.8 | Very high | 203 Ų | 203 | 62.9 Ų | 62.9 | 95% | 0.949 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -65 | 102.7 | 165.3 | -66.7 | -170.2 | 173.3 | 0 | 0 | 109 | ||
| 819 | N | 85.8 | Confident | 93 | Very high | 54 Ų | 54 | 60.7 Ų | 60.7 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | trans | -144 | 163.2 | -179.4 | 70.5 | 53.5 | 0 | 0 | 0 | 110.9 | H802 T817 L821 | H802-N819 HydrophobicContact CB-CB 4.42Å; T817-N819 PolarHBondContact O-N 3.01Å; T817-N819 PolarHBondContact O-ND2 3.4Å; T817-N819 PolarHBondContact OG1-ND2 3.17Å; N819-L821 HydrophobicContact CB-CG 4.37Å; N819-L821 WeakPolarHBondContact OD1-CB 3.45Å; N819-L821 WeakPolarHBondContact OD1-CG 3.36Å; N819-L821 PolarHBondContact OD1-N 2.92Å; N819-L821 VanDerWaalsContact OD1-N 3.13Å | ||
| 820 | E | 85.9 | Confident | 93.2 | Very high | 195 Ų | 195 | 57.9 Ų | 57.9 | 91% | 0.911 | 30% | 0.3 | S | S | * | . | trans | -108.9 | 33.9 | 177.9 | -61.8 | -176.3 | 159 | 0 | 0 | 111.2 | T822 | E820-T822 PolarHBondContact O-N 2.98Š| ||
| 821 | L | 88.9 | Confident | 93.3 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | trans | -64 | 132.2 | 179.1 | -68.9 | 177.7 | 0 | 0 | 0 | 110.8 | Q797 H802 I803 N819 F823 | Q797-L821 HydrophobicContact CB-CD2 3.97Å; Q797-L821 HydrophobicContact CG-CD2 3.6Å; H802-L821 HydrophobicContact CB-CD1 3.85Å; H802-L821 HydrophobicContact CB-CG 4.48Å; I803-L821 HydrophobicContact CD1-CD1 4.3Å; I803-L821 HydrophobicContact CG1-CD1 4Å; N819-L821 HydrophobicContact CB-CG 4.37Å; N819-L821 WeakPolarHBondContact OD1-CB 3.45Å; N819-L821 WeakPolarHBondContact OD1-CG 3.36Å; N819-L821 PolarHBondContact OD1-N 2.92Å; N819-L821 VanDerWaalsContact OD1-N 3.13Å; L821-F823 HydrophobicContact CD2-CE1 4.03Å; L821-F823 HydrophobicContact CD2-CZ 4.46Å | ||
| 822 | T | 89.9 | Confident | 93.3 | Very high | 98 Ų | 98 | 61.3 Ų | 61.3 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | trans | -95.3 | 0.4 | 179.6 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | E820 | E820-T822 PolarHBondContact O-N 2.98Š| ||
| 823 | F | 94.7 | Very high | 93.3 | Very high | 18 Ų | 18 | 62 Ų | 62 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -140.1 | 156.4 | -177.6 | 71.7 | -83.4 | 0 | 0 | 0 | 112.1 | W789 T793 L794 I803 N814 L821 A825 Y828 | W789-F823 AromaticContact CH2-CD2 3.87Å; W789-F823 HydrophobicContact CH2-CD2 3.87Å; W789-F823 AromaticContact CH2-CE2 3.98Å; W789-F823 HydrophobicContact CH2-CE2 3.98Å; W789-F823 HydrophobicContact CH2-CG 4.35Å; W789-F823 HydrophobicContact CZ2-CD1 4.26Å; W789-F823 HydrophobicContact CZ2-CD2 4.02Å; W789-F823 HydrophobicContact CZ2-CE1 4.48Å; W789-F823 HydrophobicContact CZ2-CE2 4.25Å; W789-F823 HydrophobicContact CZ2-CG 4.04Å; W789-F823 HydrophobicContact CZ2-CZ 4.48Å; T793-F823 HydrophobicContact CG2-CD1 4.19Å; T793-F823 HydrophobicContact CG2-CE1 3.49Å; T793-F823 VanDerWaalsContact CG2-CE1 3.49Å; T793-F823 HydrophobicContact CG2-CZ 3.98Å; L794-F823 HydrophobicContact CB-CE2 4.45Å; L794-F823 HydrophobicContact CD1-CE2 4.45Å; L794-F823 HydrophobicContact CG-CE2 4.33Å; I803-F823 HydrophobicContact CD1-CE2 4.13Å; I803-F823 HydrophobicContact CD1-CZ 3.92Å; N814-F823 PolarHBondContact ND2-O 2.78Å; L821-F823 HydrophobicContact CD2-CE1 4.03Å; L821-F823 HydrophobicContact CD2-CZ 4.46Å; F823-A825 HydrophobicContact CE2-CB 4.32Å; F823-Y828 HydrophobicContact CB-CE2 3.95Å; F823-Y828 HydrophobicContact CD2-CD2 4.19Å; F823-Y828 HydrophobicContact CD2-CE2 4.38Å |
| 824 | N | 96 | Very high | 93.4 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | trans | -97.9 | 117.1 | 172.2 | -66.2 | -36 | 0 | 0 | 0 | 109.4 | E826 E827 Y828 | N824-E826 HydrophobicContact CB-CG 4.39Å; N824-E826 PolarHBondContact O-N 2.93Å; N824-E827 HydrophobicContact CB-CB 4.37Å; N824-E827 HydrophobicContact CB-CG 3.95Å; N824-E827 PolarHBondContact ND2-OE1 3.46Å; N824-E827 PolarHBondContact O-N 3.02Å; N824-E827 VanDerWaalsContact O-N 3.08Å; N824-Y828 VanDerWaalsContact O-CD2 3.31Å; N824-Y828 WeakPolarHBondContact O-CD2 3.48Å | ||
| 825 | A | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L794 I803 F812 N814 F823 E827 Y828 S829 | L794-A825 HydrophobicContact CD1-CB 4.48Å; I803-A825 HydrophobicContact CD1-CB 4.06Å; I803-A825 HydrophobicContact CG1-CB 4.38Å; I803-A825 HydrophobicContact CG2-CB 3.67Å; F812-A825 HydrophobicContact CB-CB 4.1Å; F812-A825 CarbonylContact O-C 3.59Å; F812-A825 WeakPolarHBondContact O-CB 3.48Å; N814-A825 VanDerWaalsContact OD1-CB 3.24Å; N814-A825 WeakPolarHBondContact OD1-CB 3.34Å; N814-A825 PolarHBondContact OD1-N 3.48Å; F823-A825 HydrophobicContact CE2-CB 4.32Å; A825-E827 VanDerWaalsContact C-N 3.25Å; A825-E827 PolarHBondContact O-N 3.4Å; A825-Y828 PolarHBondContact O-N 3.4Å; A825-Y828 VanDerWaalsContact O-N 3.16Å; A825-S829 WeakPolarHBondContact O-CB 3.29Å; A825-S829 PolarHBondContact O-N 3.17Å; A825-S829 VanDerWaalsContact O-N 3.13Å; A825-S829 PolarHBondContact O-OG 2.96Å |
| 826 | E | 95.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -29.9 | 179.7 | 56.8 | -97.8 | -130 | 0 | 0 | 112.1 | F812 V813 N824 Y828 D830 | F812-E826 WeakPolarHBondContact O-CA 3.42Å; F812-E826 PolarHBondContact O-N 2.99Å; V813-E826 HydrophobicContact CG2-CB 4.42Å; N824-E826 HydrophobicContact CB-CG 4.39Å; N824-E826 PolarHBondContact O-N 2.93Å; E826-Y828 PolarHBondContact O-N 3.23Å; E826-D830 WeakPolarHBondContact O-CB 3.42Å; E826-D830 PolarHBondContact O-N 3.5Å |
| 827 | E | 96.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -79.4 | 6.4 | 178.4 | -60.1 | 176.7 | -161.5 | 0 | 0 | 113 | K733 N824 A825 E833 | K733-E827 HydrophobicContact CD-CB 4.25Å; K733-E827 WeakPolarHBondContact CE-OE2 3.25Å; K733-E827 IonicContact NZ-OE2 3.74Å; K733-E827 PolarHBondContact NZ-OE2 2.91Å; N824-E827 HydrophobicContact CB-CB 4.37Å; N824-E827 HydrophobicContact CB-CG 3.95Å; N824-E827 PolarHBondContact ND2-OE1 3.46Å; N824-E827 PolarHBondContact O-N 3.02Å; N824-E827 VanDerWaalsContact O-N 3.08Å; A825-E827 VanDerWaalsContact C-N 3.25Å; A825-E827 PolarHBondContact O-N 3.4Å; E827-E833 WeakPolarHBondContact O-CG 3.35Å |
| 828 | Y | 98 | Very high | 94.8 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -133.1 | -8.6 | 176 | -67 | -93.4 | 0 | 0 | 0 | 114 | I731 K733 W789 Y790 F823 N824 A825 E826 | I731-Y828 HydrophobicContact CG2-CD1 4.33Å; I731-Y828 HydrophobicContact CG2-CE1 3.84Å; I731-Y828 WeakPolarHBondContact O-CE1 3.5Å; I731-Y828 PolarHBondContact O-OH 3.4Å; I731-Y828 VanDerWaalsContact O-OH 3.05Å; K733-Y828 HydrophobicContact CB-CE1 4.41Å; K733-Y828 HydrophobicContact CG-CD1 4.43Å; K733-Y828 HydrophobicContact CG-CE1 3.86Å; K733-Y828 HydrophobicContact CG-CE2 4.26Å; W789-Y828 AromaticContact CH2-CD1 3.61Å; W789-Y828 HydrophobicContact CH2-CD1 3.61Å; W789-Y828 AromaticContact CH2-CD2 3.93Å; W789-Y828 HydrophobicContact CH2-CD2 3.93Å; W789-Y828 HydrophobicContact CH2-CE1 4.03Å; W789-Y828 HydrophobicContact CH2-CE2 4.34Å; W789-Y828 AromaticContact CH2-CG 3.55Å; W789-Y828 HydrophobicContact CH2-CG 3.55Å; W789-Y828 HydrophobicContact CZ2-CD1 4.39Å; W789-Y828 HydrophobicContact CZ2-CE1 4.39Å; W789-Y828 AromaticContact CZ3-CD1 3.79Å; W789-Y828 HydrophobicContact CZ3-CD1 3.79Å; W789-Y828 AromaticContact CZ3-CG 3.9Å; W789-Y828 HydrophobicContact CZ3-CG 3.9Å; Y790-Y828 WeakPolarHBondContact CE1-O 3.26Å; Y790-Y828 PolarHBondContact OH-O 3.07Å; F823-Y828 HydrophobicContact CB-CE2 3.95Å; F823-Y828 HydrophobicContact CD2-CD2 4.19Å; F823-Y828 HydrophobicContact CD2-CE2 4.38Å; N824-Y828 VanDerWaalsContact O-CD2 3.31Å; N824-Y828 WeakPolarHBondContact O-CD2 3.48Å; A825-Y828 PolarHBondContact O-N 3.4Å; A825-Y828 VanDerWaalsContact O-N 3.16Å; E826-Y828 PolarHBondContact O-N 3.23Å |
| 829 | S | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -136.4 | 1.5 | -170.3 | 67.2 | 0 | 0 | 0 | 0 | 114.9 | F812 A825 | F812-S829 WeakPolarHBondContact CB-OG 3.39Å; F812-S829 PolarHBondContact N-OG 2.95Å; F812-S829 PolarHBondContact O-OG 2.78Å; A825-S829 WeakPolarHBondContact O-CB 3.29Å; A825-S829 PolarHBondContact O-N 3.17Å; A825-S829 VanDerWaalsContact O-N 3.13Å; A825-S829 PolarHBondContact O-OG 2.96Å |
| 830 | D | 97.3 | Very high | 96.2 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -68.4 | 175 | 170.6 | 91.3 | -26.9 | 0 | 0 | 0 | 111.9 | A811 E826 S832 E833 M834 | A811-D830 HydrophobicContact CB-CB 4.01Å; E826-D830 WeakPolarHBondContact O-CB 3.42Å; E826-D830 PolarHBondContact O-N 3.5Å; D830-S832 VanDerWaalsContact C-N 3.25Å; D830-S832 PolarHBondContact O-N 3.24Å; D830-S832 WeakPolarHBondContact OD1-CB 3.39Å; D830-S832 PolarHBondContact OD1-N 3.24Å; D830-S832 PolarHBondContact OD2-OG 3.33Å; D830-E833 PolarHBondContact O-N 2.83Å; D830-E833 WeakPolarHBondContact OD1-CB 3.43Å; D830-E833 VanDerWaalsContact OD1-CG 3.25Å; D830-E833 WeakPolarHBondContact OD1-CG 3.24Å; D830-E833 PolarHBondContact OD1-N 2.89Å; D830-M834 VanDerWaalsContact O-CG 3.31Å; D830-M834 WeakPolarHBondContact O-CG 3.45Å; D830-M834 PolarHBondContact O-N 3.1Å |
| 831 | I | 97.3 | Very high | 96.8 | Very high | 75 Ų | 75 | 37.8 Ų | 37.8 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.7 | -40.7 | -179.7 | -59.6 | 174 | 0 | 0 | 0 | 111.5 | K810 R835 | K810-I831 HydrophobicContact CB-CD1 3.88Å; K810-I831 HydrophobicContact CB-CG1 3.83Å; K810-I831 HydrophobicContact CG-CD1 4.3Å; I831-R835 HydrophobicContact CG2-CG 4.47Å; I831-R835 WeakPolarHBondContact O-CB 3.15Å; I831-R835 VanDerWaalsContact O-CG 3.26Å; I831-R835 WeakPolarHBondContact O-CG 3.35Å; I831-R835 PolarHBondContact O-N 2.91Å |
| 832 | S | 97.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 36.8 Ų | 36.8 | 48% | 0.476 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.1 | -43 | -175.9 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | D830 S836 | D830-S832 VanDerWaalsContact C-N 3.25Å; D830-S832 PolarHBondContact O-N 3.24Å; D830-S832 WeakPolarHBondContact OD1-CB 3.39Å; D830-S832 PolarHBondContact OD1-N 3.24Å; D830-S832 PolarHBondContact OD2-OG 3.33Å; S832-S836 WeakPolarHBondContact O-CB 3.37Å; S832-S836 PolarHBondContact O-N 2.82Å; S832-S836 PolarHBondContact O-OG 2.89Å |
| 833 | E | 98.4 | Very high | 97.5 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.1 | -44.2 | 179.2 | -64.3 | -59.3 | 152.2 | 0 | 0 | 111.4 | P734 S735 E827 D830 R835 S836 L837 | P734-E833 WeakPolarHBondContact CD-OE2 3.49Å; S735-E833 WeakPolarHBondContact CB-OE1 3.46Å; S735-E833 WeakPolarHBondContact CB-OE2 3.47Å; S735-E833 PolarHBondContact N-OE2 2.91Å; S735-E833 VanDerWaalsContact OG-CD 3.29Å; S735-E833 PolarHBondContact OG-OE1 3.48Å; S735-E833 PolarHBondContact OG-OE2 3.39Å; E827-E833 WeakPolarHBondContact O-CG 3.35Å; D830-E833 PolarHBondContact O-N 2.83Å; D830-E833 WeakPolarHBondContact OD1-CB 3.43Å; D830-E833 VanDerWaalsContact OD1-CG 3.25Å; D830-E833 WeakPolarHBondContact OD1-CG 3.24Å; D830-E833 PolarHBondContact OD1-N 2.89Å; E833-R835 VanDerWaalsContact C-N 3.32Å; E833-R835 PolarHBondContact O-N 3.45Å; E833-S836 PolarHBondContact O-N 3.47Å; E833-S836 VanDerWaalsContact O-N 3.15Å; E833-L837 WeakPolarHBondContact O-CB 3.45Å; E833-L837 PolarHBondContact O-N 3.39Å |
| 834 | M | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.4 | -33.8 | 178.5 | -63.4 | -52.4 | -63.8 | 0 | 0 | 112.2 | D830 L837 S838 F914 L917 A918 A921 | D830-M834 VanDerWaalsContact O-CG 3.31Å; D830-M834 WeakPolarHBondContact O-CG 3.45Å; D830-M834 PolarHBondContact O-N 3.1Å; M834-L837 HydrophobicContact CE-CD2 4.04Å; M834-L837 HydrophobicContact SD-CD2 4.44Å; M834-S838 WeakPolarHBondContact O-CB 3.45Å; M834-S838 PolarHBondContact O-N 3.36Å; M834-S838 PolarHBondContact O-OG 3.11Å; M834-F914 HydrophobicContact CE-CE1 4.47Å; M834-F914 HydrophobicContact CE-CE2 4.17Å; M834-F914 HydrophobicContact CE-CZ 3.89Å; M834-F914 HydrophobicContact SD-CE2 4.16Å; M834-F914 HydrophobicContact SD-CZ 4.29Å; M834-L917 HydrophobicContact CG-CB 4.39Å; M834-A918 HydrophobicContact CE-CB 3.54Å; M834-A921 VanDerWaalsContact C-CB 3.43Å; M834-A921 HydrophobicContact CB-CB 3.52Å |
| 835 | R | 98.5 | Very high | 97.8 | Very high | 107 Ų | 107 | 37.2 Ų | 37.2 | 40% | 0.404 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.3 | -42.2 | 171.5 | -75.1 | 177.3 | 179.6 | 167.4 | 0.5 | 111.2 | I831 E833 L837 S838 E839 A921 D924 V925 | I831-R835 HydrophobicContact CG2-CG 4.47Å; I831-R835 WeakPolarHBondContact O-CB 3.15Å; I831-R835 VanDerWaalsContact O-CG 3.26Å; I831-R835 WeakPolarHBondContact O-CG 3.35Å; I831-R835 PolarHBondContact O-N 2.91Å; E833-R835 VanDerWaalsContact C-N 3.32Å; E833-R835 PolarHBondContact O-N 3.45Å; R835-L837 VanDerWaalsContact C-N 3.32Å; R835-L837 PolarHBondContact O-N 3.4Å; R835-S838 WeakPolarHBondContact O-CB 3.35Å; R835-S838 PolarHBondContact O-N 2.97Å; R835-S838 VanDerWaalsContact O-N 3.16Å; R835-E839 WeakPolarHBondContact O-CG 3.18Å; R835-E839 PolarHBondContact O-N 2.85Å; R835-A921 HydrophobicContact CG-CB 3.87Å; R835-D924 IonicContact CZ-OD2 2.65Å; R835-D924 IonicContact NE-OD2 2.76Å; R835-D924 PolarHBondContact NE-OD2 2.84Å; R835-D924 IonicContact NH2-OD2 3.59Å; R835-D924 PolarHBondContact NH2-OD2 3.37Å; R835-V925 HydrophobicContact CB-CG2 4.01Å; R835-V925 HydrophobicContact CG-CG2 4.17Å |
| 836 | S | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -38 | 177 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | S735 S832 E833 E839 L840 | S735-S836 WeakPolarHBondContact CA-OG 3.36Å; S832-S836 WeakPolarHBondContact O-CB 3.37Å; S832-S836 PolarHBondContact O-N 2.82Å; S832-S836 PolarHBondContact O-OG 2.89Å; E833-S836 PolarHBondContact O-N 3.47Å; E833-S836 VanDerWaalsContact O-N 3.15Å; S836-E839 PolarHBondContact O-N 2.98Å; S836-L840 WeakPolarHBondContact O-CG 3.39Å; S836-L840 PolarHBondContact O-N 3.45Å |
| 837 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 172.2 | -174.7 | 71.2 | 0 | 0 | 0 | 111.2 | P734 Y786 Y790 E833 M834 R835 E839 L840 L841 M846 L849 | P734-L837 HydrophobicContact CB-CB 4.04Å; P734-L837 HydrophobicContact CG-CB 4.18Å; P734-L837 HydrophobicContact CG-CD1 4.24Å; Y786-L837 HydrophobicContact CD1-CD1 4.06Å; Y786-L837 HydrophobicContact CD2-CD1 3.94Å; Y786-L837 HydrophobicContact CG-CD1 3.7Å; Y790-L837 HydrophobicContact CD2-CD2 4.29Å; Y790-L837 HydrophobicContact CE2-CD1 4.11Å; Y790-L837 HydrophobicContact CE2-CD2 3.47Å; Y790-L837 VanDerWaalsContact CE2-CD2 3.47Å; Y790-L837 HydrophobicContact CE2-CG 4.42Å; E833-L837 WeakPolarHBondContact O-CB 3.45Å; E833-L837 PolarHBondContact O-N 3.39Å; M834-L837 HydrophobicContact CE-CD2 4.04Å; M834-L837 HydrophobicContact SD-CD2 4.44Å; R835-L837 VanDerWaalsContact C-N 3.32Å; R835-L837 PolarHBondContact O-N 3.4Å; L837-E839 VanDerWaalsContact C-N 3.35Å; L837-E839 PolarHBondContact O-N 2.93Å; L837-L840 PolarHBondContact O-N 3.46Å; L837-L840 VanDerWaalsContact O-N 3.16Å; L837-L841 HydrophobicContact CD1-CD1 3.79Å; L837-L841 HydrophobicContact CD1-CD2 4.08Å; L837-L841 HydrophobicContact CG-CD1 4.39Å; L837-L841 HydrophobicContact CG-CD2 4.16Å; L837-L841 WeakPolarHBondContact O-CB 3.36Å; L837-L841 PolarHBondContact O-N 3.2Å; L837-M846 HydrophobicContact CD2-CE 4.45Å; L837-M846 HydrophobicContact CD2-SD 4.11Å; L837-M846 HydrophobicContact CG-SD 4.11Å; L837-L849 HydrophobicContact CD2-CD2 4.2Å |
| 838 | S | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | M834 R835 L840 G842 M846 L922 | M834-S838 WeakPolarHBondContact O-CB 3.45Å; M834-S838 PolarHBondContact O-N 3.36Å; M834-S838 PolarHBondContact O-OG 3.11Å; R835-S838 WeakPolarHBondContact O-CB 3.35Å; R835-S838 PolarHBondContact O-N 2.97Å; R835-S838 VanDerWaalsContact O-N 3.16Å; S838-L840 VanDerWaalsContact C-N 3.32Å; S838-G842 VanDerWaalsContact O-CA 3.25Å; S838-G842 WeakPolarHBondContact O-CA 3.42Å; S838-G842 PolarHBondContact O-N 3.29Å; S838-M846 WeakPolarHBondContact OG-CE 3.2Å; S838-L922 PolarHBondContact OG-N 3.48Å |
| 839 | E | 98.2 | Very high | 98 | Very high | 65 Ų | 65 | 36 Ų | 36 | 30% | 0.304 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.5 | -37 | 172.3 | -72.8 | -88.2 | -173.1 | 0 | 0 | 112.3 | L738 R742 R835 S836 L837 V925 H929 | L738-E839 HydrophobicContact CD1-CB 4.12Å; L738-E839 HydrophobicContact CD2-CB 3.7Å; L738-E839 HydrophobicContact CD2-CG 3.99Å; R742-E839 IonicContact NH2-OE1 3.37Å; R742-E839 IonicContact NH2-OE2 2.79Å; R835-E839 WeakPolarHBondContact O-CG 3.18Å; R835-E839 PolarHBondContact O-N 2.85Å; S836-E839 PolarHBondContact O-N 2.98Å; L837-E839 VanDerWaalsContact C-N 3.35Å; L837-E839 PolarHBondContact O-N 2.93Å; E839-V925 HydrophobicContact CG-CG1 3.97Å; E839-V925 HydrophobicContact CG-CG2 4.08Å; E839-H929 IonicContact OE1-CD2 2.7Å; E839-H929 IonicContact OE1-NE2 3.16Å; E839-H929 PolarHBondContact OE1-NE2 3.16Å; E839-H929 IonicContact OE2-CD2 2.68Å; E839-H929 IonicContact OE2-CE1 3.88Å; E839-H929 IonicContact OE2-NE2 3.35Å; E839-H929 PolarHBondContact OE2-NE2 2.82Å |
| 840 | L | 98.2 | Very high | 98 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 10% | 0.099 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80 | -45.3 | -179.2 | -70.2 | 169.2 | 0 | 0 | 0 | 112.9 | L737 L738 V741 I782 S836 L837 S838 | L737-L840 HydrophobicContact CB-CD1 4.34Å; L737-L840 HydrophobicContact CD2-CD1 3.86Å; L737-L840 HydrophobicContact CG-CD1 4.05Å; L738-L840 HydrophobicContact CB-CD1 4.21Å; L738-L840 HydrophobicContact CB-CD2 4.31Å; L738-L840 HydrophobicContact CB-CG 4.22Å; L738-L840 HydrophobicContact CD1-CD2 3.86Å; L738-L840 HydrophobicContact CD1-CG 4.13Å; V741-L840 HydrophobicContact CG2-CD2 4.24Å; I782-L840 HydrophobicContact CD1-CB 4.02Å; I782-L840 HydrophobicContact CD1-CD2 4.35Å; S836-L840 WeakPolarHBondContact O-CG 3.39Å; S836-L840 PolarHBondContact O-N 3.45Å; L837-L840 PolarHBondContact O-N 3.46Å; L837-L840 VanDerWaalsContact O-N 3.16Å; S838-L840 VanDerWaalsContact C-N 3.32Å |
| 841 | L | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -85.4 | -28.8 | -174.9 | -91.5 | 59.3 | 0 | 0 | 0 | 112.6 | T771 I782 T783 L837 G845 M846 | T771-L841 VanDerWaalsContact CB-O 3.28Å; T771-L841 WeakPolarHBondContact CB-O 3.17Å; T771-L841 VanDerWaalsContact CG2-O 3.26Å; T771-L841 WeakPolarHBondContact CG2-O 3.36Å; I782-L841 HydrophobicContact CG1-CD1 4.26Å; T783-L841 HydrophobicContact CG2-CD2 4.44Å; T783-L841 HydrophobicContact CG2-CG 4.41Å; L837-L841 HydrophobicContact CD1-CD1 3.79Å; L837-L841 HydrophobicContact CD1-CD2 4.08Å; L837-L841 HydrophobicContact CG-CD1 4.39Å; L837-L841 HydrophobicContact CG-CD2 4.16Å; L837-L841 WeakPolarHBondContact O-CB 3.36Å; L837-L841 PolarHBondContact O-N 3.2Å; L841-G845 PolarHBondContact O-N 2.95Å; L841-M846 HydrophobicContact CB-CG 4.03Å; L841-M846 HydrophobicContact CB-SD 4.03Å; L841-M846 HydrophobicContact CD2-SD 3.9Å |
| 842 | G | 97.5 | Very high | 97.9 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | 57.4 | -167.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S838 Y844 M846 | S838-G842 VanDerWaalsContact O-CA 3.25Å; S838-G842 WeakPolarHBondContact O-CA 3.42Å; S838-G842 PolarHBondContact O-N 3.29Å; G842-Y844 VanDerWaalsContact C-N 3.29Å; G842-Y844 PolarHBondContact O-N 2.98Å; G842-M846 WeakPolarHBondContact O-CB 3.3Å; G842-M846 WeakPolarHBondContact O-CG 3.22Å; G842-M846 PolarHBondContact O-N 3.17Å; G842-M846 VanDerWaalsContact O-N 3.08Å |
| 843 | P | 97.7 | Very high | 97.9 | Very high | 50 Ų | 50 | 33 Ų | 33 | 33% | 0.325 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.1 | -38.4 | 179.4 | -25.1 | 33.8 | 0 | 0 | 0 | 113.5 | K847 L926 | P843-K847 WeakPolarHBondContact O-CB 3.23Å; P843-K847 PolarHBondContact O-N 3.36Å; P843-L926 HydrophobicContact CG-CD1 4.1Å; P843-L926 HydrophobicContact CG-CD2 3.89Å |
| 844 | Y | 97.9 | Very high | 97.8 | Very high | 144 Ų | 144 | 32.3 Ų | 32.3 | 57% | 0.565 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -66.5 | -52.3 | -177.8 | -64.3 | -61.6 | 0 | 0 | 0 | 112.1 | L768 G842 M846 K847 F848 | L768-Y844 HydrophobicContact CD1-CD2 4.19Å; L768-Y844 HydrophobicContact CD1-CE2 4.01Å; G842-Y844 VanDerWaalsContact C-N 3.29Å; G842-Y844 PolarHBondContact O-N 2.98Å; Y844-M846 PolarHBondContact O-N 2.67Å; Y844-K847 PolarHBondContact O-N 3.29Å; Y844-F848 PolarHBondContact O-N 3.41Å |
| 845 | G | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T771 L841 F848 L849 | T771-G845 WeakPolarHBondContact O-CA 3.5Å; T771-G845 PolarHBondContact O-N 2.93Å; L841-G845 PolarHBondContact O-N 2.95Å; G845-F848 PolarHBondContact O-N 2.85Å; G845-L849 WeakPolarHBondContact O-CB 3.42Å; G845-L849 PolarHBondContact O-N 3.22Å |
| 846 | M | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.8 | -32 | 177.2 | -63.9 | -59.2 | -72.8 | 0 | 0 | 112.6 | L837 S838 L841 G842 Y844 L849 S850 A918 L922 | L837-M846 HydrophobicContact CD2-CE 4.45Å; L837-M846 HydrophobicContact CD2-SD 4.11Å; L837-M846 HydrophobicContact CG-SD 4.11Å; S838-M846 WeakPolarHBondContact OG-CE 3.2Å; L841-M846 HydrophobicContact CB-CG 4.03Å; L841-M846 HydrophobicContact CB-SD 4.03Å; L841-M846 HydrophobicContact CD2-SD 3.9Å; G842-M846 WeakPolarHBondContact O-CB 3.3Å; G842-M846 WeakPolarHBondContact O-CG 3.22Å; G842-M846 PolarHBondContact O-N 3.17Å; G842-M846 VanDerWaalsContact O-N 3.08Å; Y844-M846 PolarHBondContact O-N 2.67Å; M846-L849 HydrophobicContact CE-CD2 4.18Å; M846-L849 HydrophobicContact SD-CD2 4.17Å; M846-S850 WeakPolarHBondContact O-CB 3.42Å; M846-S850 PolarHBondContact O-N 2.98Å; M846-S850 PolarHBondContact O-OG 2.99Å; M846-A918 HydrophobicContact CE-CB 3.66Å; M846-L922 HydrophobicContact CB-CD1 4.4Å; M846-L922 HydrophobicContact CB-CD2 3.85Å; M846-L922 HydrophobicContact CG-CD1 4.14Å; M846-L922 HydrophobicContact CG-CD2 4.41Å |
| 847 | K | 97.6 | Very high | 97.4 | Very high | 71 Ų | 71 | 36.6 Ų | 36.6 | 31% | 0.309 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 168.5 | 177.5 | 169.6 | -179.5 | 154.4 | 0 | 110.9 | P843 Y844 L849 S850 E851 E958 | P843-K847 WeakPolarHBondContact O-CB 3.23Å; P843-K847 PolarHBondContact O-N 3.36Å; Y844-K847 PolarHBondContact O-N 3.29Å; K847-L849 PolarHBondContact O-N 3.48Å; K847-S850 CarbonylContact O-C 3.59Å; K847-S850 WeakPolarHBondContact O-CA 3.16Å; K847-S850 WeakPolarHBondContact O-CB 3.33Å; K847-S850 PolarHBondContact O-N 2.84Å; K847-S850 VanDerWaalsContact O-N 3.09Å; K847-E851 WeakPolarHBondContact CE-OE1 3.41Å; K847-E851 HydrophobicContact CG-CG 4.43Å; K847-E851 WeakPolarHBondContact O-CG 3.18Å; K847-E851 PolarHBondContact O-N 3.11Å; K847-E958 IonicContact NZ-OE1 3.44Å; K847-E958 PolarHBondContact NZ-OE1 2.93Å |
| 848 | F | 98 | Very high | 97.2 | Very high | 60 Ų | 60 | 37 Ų | 37 | 26% | 0.263 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 177.7 | 178.1 | -99.6 | 0 | 0 | 0 | 112.9 | H773 T783 T787 Y844 G845 S850 E851 S852 | H773-F848 HydrophobicContact CB-CD2 4.26Å; H773-F848 HydrophobicContact CB-CE1 4.31Å; H773-F848 HydrophobicContact CB-CE2 3.8Å; H773-F848 HydrophobicContact CB-CZ 3.82Å; T783-F848 HydrophobicContact CG2-CB 4.3Å; T783-F848 HydrophobicContact CG2-CD1 3.73Å; T783-F848 HydrophobicContact CG2-CG 4.32Å; T787-F848 HydrophobicContact CG2-CD1 4.09Å; T787-F848 HydrophobicContact CG2-CE1 3.84Å; Y844-F848 PolarHBondContact O-N 3.41Å; G845-F848 PolarHBondContact O-N 2.85Å; F848-S850 VanDerWaalsContact C-N 3.27Å; F848-S850 PolarHBondContact O-N 3.37Å; F848-E851 PolarHBondContact O-N 3.19Å; F848-S852 PolarHBondContact O-N 3.09Å; F848-S852 PolarHBondContact O-OG 3.16Å |
| 849 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.3 | -47.3 | 171.7 | 172.7 | 62.1 | 0 | 0 | 0 | 110.3 | T787 L837 G845 M846 K847 S852 L853 F914 | T787-L849 HydrophobicContact CG2-CD1 4.02Å; L837-L849 HydrophobicContact CD2-CD2 4.2Å; G845-L849 WeakPolarHBondContact O-CB 3.42Å; G845-L849 PolarHBondContact O-N 3.22Å; M846-L849 HydrophobicContact CE-CD2 4.18Å; M846-L849 HydrophobicContact SD-CD2 4.17Å; K847-L849 PolarHBondContact O-N 3.48Å; L849-S852 PolarHBondContact O-N 3.42Å; L849-L853 HydrophobicContact CD1-CD1 4.37Å; L849-L853 HydrophobicContact CD1-CG 4.45Å; L849-L853 HydrophobicContact CG-CD1 4.12Å; L849-L853 VanDerWaalsContact O-CG 3.26Å; L849-L853 WeakPolarHBondContact O-CG 3.41Å; L849-L853 PolarHBondContact O-N 3Å; L849-F914 HydrophobicContact CD1-CE1 4.4Å; L849-F914 HydrophobicContact CD2-CE1 4.26Å |
| 850 | S | 97.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 179 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | M846 K847 F848 S852 L853 M854 R915 | M846-S850 WeakPolarHBondContact O-CB 3.42Å; M846-S850 PolarHBondContact O-N 2.98Å; M846-S850 PolarHBondContact O-OG 2.99Å; K847-S850 CarbonylContact O-C 3.59Å; K847-S850 WeakPolarHBondContact O-CA 3.16Å; K847-S850 WeakPolarHBondContact O-CB 3.33Å; K847-S850 PolarHBondContact O-N 2.84Å; K847-S850 VanDerWaalsContact O-N 3.09Å; F848-S850 VanDerWaalsContact C-N 3.27Å; F848-S850 PolarHBondContact O-N 3.37Å; S850-S852 VanDerWaalsContact C-N 3.27Å; S850-S852 PolarHBondContact O-N 3.27Å; S850-L853 WeakPolarHBondContact O-CB 3.49Å; S850-L853 PolarHBondContact O-N 2.88Å; S850-M854 VanDerWaalsContact O-CG 3.28Å; S850-M854 WeakPolarHBondContact O-CG 3.3Å; S850-M854 PolarHBondContact O-N 3.28Å; S850-R915 PolarHBondContact OG-NH1 3.08Å |
| 851 | E | 95.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 37.1 Ų | 37.1 | 46% | 0.458 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.9 | -41.9 | 174.8 | -72.7 | 172.2 | -179.7 | 0 | 0 | 111.3 | K847 F848 M854 W855 | K847-E851 WeakPolarHBondContact CE-OE1 3.41Å; K847-E851 HydrophobicContact CG-CG 4.43Å; K847-E851 WeakPolarHBondContact O-CG 3.18Å; K847-E851 PolarHBondContact O-N 3.11Å; F848-E851 PolarHBondContact O-N 3.19Å; E851-M854 PolarHBondContact O-N 2.84Å; E851-W855 PolarHBondContact O-N 3.38Å |
| 852 | S | 96.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.6 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | T787 F848 L849 S850 M854 W855 H856 | T787-S852 WeakPolarHBondContact CG2-OG 3.19Å; F848-S852 PolarHBondContact O-N 3.09Å; F848-S852 PolarHBondContact O-OG 3.16Å; L849-S852 PolarHBondContact O-N 3.42Å; S850-S852 VanDerWaalsContact C-N 3.27Å; S850-S852 PolarHBondContact O-N 3.27Å; S852-M854 VanDerWaalsContact C-N 3.34Å; S852-M854 PolarHBondContact O-N 3.42Å; S852-W855 WeakPolarHBondContact O-CB 3.21Å; S852-W855 PolarHBondContact O-N 2.94Å; S852-H856 PolarHBondContact O-CD2 3.08Å; S852-H856 PolarHBondContact O-N 3.35Å |
| 853 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.7 | -45 | 172.3 | -67.6 | 166 | 0 | 0 | 0 | 111.4 | L791 L795 L849 S850 W855 H856 I857 I911 F914 R915 | L791-L853 HydrophobicContact CD2-CD2 3.6Å; L791-L853 HydrophobicContact CD2-CG 4.38Å; L795-L853 HydrophobicContact CD1-CD2 3.4Å; L849-L853 HydrophobicContact CD1-CD1 4.37Å; L849-L853 HydrophobicContact CD1-CG 4.45Å; L849-L853 HydrophobicContact CG-CD1 4.12Å; L849-L853 VanDerWaalsContact O-CG 3.26Å; L849-L853 WeakPolarHBondContact O-CG 3.41Å; L849-L853 PolarHBondContact O-N 3Å; S850-L853 WeakPolarHBondContact O-CB 3.49Å; S850-L853 PolarHBondContact O-N 2.88Å; L853-W855 VanDerWaalsContact C-N 3.3Å; L853-W855 PolarHBondContact O-N 2.9Å; L853-H856 PolarHBondContact O-N 3.34Å; L853-I857 PolarHBondContact O-N 3.02Å; L853-I857 VanDerWaalsContact O-N 3.15Å; L853-I911 HydrophobicContact CB-CG2 3.78Å; L853-I911 HydrophobicContact CD2-CG2 3.79Å; L853-I911 HydrophobicContact CG-CG2 4.34Å; L853-F914 HydrophobicContact CD1-CD1 3.79Å; L853-F914 HydrophobicContact CD1-CE1 4.14Å; L853-F914 HydrophobicContact CD2-CD1 3.9Å; L853-F914 HydrophobicContact CD2-CE1 4.36Å; L853-R915 HydrophobicContact CD1-CB 4.15Å |
| 854 | M | 96.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -35.6 | 179.6 | -66.3 | -50.8 | 92.7 | 0 | 0 | 111.9 | S850 E851 S852 H856 I857 S858 L912 A972 L973 A976 | S850-M854 VanDerWaalsContact O-CG 3.28Å; S850-M854 WeakPolarHBondContact O-CG 3.3Å; S850-M854 PolarHBondContact O-N 3.28Å; E851-M854 PolarHBondContact O-N 2.84Å; S852-M854 VanDerWaalsContact C-N 3.34Å; S852-M854 PolarHBondContact O-N 3.42Å; M854-H856 VanDerWaalsContact C-N 3.33Å; M854-H856 PolarHBondContact O-N 3.48Å; M854-I857 HydrophobicContact CE-CD1 3.5Å; M854-I857 VanDerWaalsContact CE-CD1 3.5Å; M854-I857 WeakPolarHBondContact O-CB 3.37Å; M854-I857 PolarHBondContact O-N 2.91Å; M854-I857 VanDerWaalsContact O-N 3.13Å; M854-I857 HydrophobicContact SD-CD1 4.04Å; M854-S858 PolarHBondContact O-N 2.93Å; M854-S858 PolarHBondContact O-OG 2.9Å; M854-L912 HydrophobicContact CE-CD2 4.2Å; M854-A972 HydrophobicContact CG-CB 3.82Å; M854-L973 HydrophobicContact SD-CB 3.73Å; M854-L973 HydrophobicContact SD-CD1 3.83Å; M854-L973 HydrophobicContact SD-CG 4.34Å; M854-A976 HydrophobicContact CB-CB 3.61Å |
| 855 | W | 94.8 | Very high | 96.1 | Very high | 169 Ų | 169 | 33.4 Ų | 33.4 | 64% | 0.64 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -58.8 | -42.9 | 174.7 | -176.2 | 91.6 | 0 | 0 | 0 | 112.3 | E851 S852 L853 S858 S859 | E851-W855 PolarHBondContact O-N 3.38Å; S852-W855 WeakPolarHBondContact O-CB 3.21Å; S852-W855 PolarHBondContact O-N 2.94Å; L853-W855 VanDerWaalsContact C-N 3.3Å; L853-W855 PolarHBondContact O-N 2.9Å; W855-S858 WeakPolarHBondContact O-CB 3.37Å; W855-S858 PolarHBondContact O-N 3.04Å; W855-S859 PolarHBondContact O-N 2.79Å; W855-S859 VanDerWaalsContact O-N 3.1Å |
| 856 | H | 94.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 22% | 0.222 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 174.1 | -77.6 | -90.4 | 0 | 0 | 0 | 112.4 | E792 S852 L853 M854 S859 Q860 I911 | E792-H856 IonicContact OE1-CE1 3.84Å; S852-H856 PolarHBondContact O-CD2 3.08Å; S852-H856 PolarHBondContact O-N 3.35Å; L853-H856 PolarHBondContact O-N 3.34Å; M854-H856 VanDerWaalsContact C-N 3.33Å; M854-H856 PolarHBondContact O-N 3.48Å; H856-S859 WeakPolarHBondContact O-CB 3.25Å; H856-S859 PolarHBondContact O-N 2.89Å; H856-Q860 PolarHBondContact O-N 2.83Å; H856-I911 HydrophobicContact CB-CD1 4.04Å |
| 857 | I | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.3 | -66.5 | 177.5 | 0 | 0 | 0 | 110.7 | L853 M854 S859 Q860 V861 I908 I911 L912 L973 I1037 | L853-I857 PolarHBondContact O-N 3.02Å; L853-I857 VanDerWaalsContact O-N 3.15Å; M854-I857 HydrophobicContact CE-CD1 3.5Å; M854-I857 VanDerWaalsContact CE-CD1 3.5Å; M854-I857 WeakPolarHBondContact O-CB 3.37Å; M854-I857 PolarHBondContact O-N 2.91Å; M854-I857 VanDerWaalsContact O-N 3.13Å; M854-I857 HydrophobicContact SD-CD1 4.04Å; I857-S859 VanDerWaalsContact C-N 3.25Å; I857-S859 PolarHBondContact O-N 2.75Å; I857-Q860 WeakPolarHBondContact O-CA 3.27Å; I857-Q860 WeakPolarHBondContact O-CB 3.23Å; I857-Q860 PolarHBondContact O-N 3.42Å; I857-V861 HydrophobicContact CG2-CG2 4.15Å; I857-V861 WeakPolarHBondContact O-CG2 3.5Å; I857-V861 PolarHBondContact O-N 2.84Å; I857-I908 HydrophobicContact CD1-CG2 4.46Å; I857-I908 HydrophobicContact CG1-CG2 4.46Å; I857-I908 HydrophobicContact CG2-CD1 4.49Å; I857-I908 HydrophobicContact CG2-CG1 4.18Å; I857-I908 HydrophobicContact CG2-CG2 3.95Å; I857-I911 HydrophobicContact CD1-CB 4.2Å; I857-I911 HydrophobicContact CD1-CG2 3.78Å; I857-I911 HydrophobicContact CG1-CB 4.06Å; I857-I911 HydrophobicContact CG1-CD1 4.16Å; I857-I911 HydrophobicContact CG1-CG2 3.75Å; I857-L912 HydrophobicContact CD1-CD2 3.6Å; I857-L912 HydrophobicContact CD1-CG 3.7Å; I857-L973 HydrophobicContact CB-CD1 4.36Å; I857-L973 HydrophobicContact CD1-CD1 4.4Å; I857-L973 HydrophobicContact CG2-CD1 3.64Å; I857-I1037 HydrophobicContact CG2-CD1 4.07Å |
| 858 | S | 94.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.3 | -45.4 | 175.6 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | M854 W855 Q860 V861 A862 A976 Q980 | M854-S858 PolarHBondContact O-N 2.93Å; M854-S858 PolarHBondContact O-OG 2.9Å; W855-S858 WeakPolarHBondContact O-CB 3.37Å; W855-S858 PolarHBondContact O-N 3.04Å; S858-Q860 VanDerWaalsContact C-N 3.31Å; S858-Q860 PolarHBondContact O-N 3.05Å; S858-V861 PolarHBondContact O-N 3.35Å; S858-V861 VanDerWaalsContact O-N 3.17Å; S858-A862 PolarHBondContact O-N 3.24Å; S858-A976 VanDerWaalsContact OG-CB 3.32Å; S858-A976 WeakPolarHBondContact OG-CB 3.41Å; S858-A976 PolarHBondContact OG-O 3.29Å; S858-Q980 VanDerWaalsContact O-CD 3.3Å; S858-Q980 PolarHBondContact O-NE2 3.27Å; S858-Q980 PolarHBondContact O-OE1 3.37Å |
| 859 | S | 94.1 | Very high | 95.6 | Very high | 56 Ų | 56 | 37.7 Ų | 37.7 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.5 | -44 | 174.7 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | W855 H856 I857 E863 | W855-S859 PolarHBondContact O-N 2.79Å; W855-S859 VanDerWaalsContact O-N 3.1Å; H856-S859 WeakPolarHBondContact O-CB 3.25Å; H856-S859 PolarHBondContact O-N 2.89Å; I857-S859 VanDerWaalsContact C-N 3.25Å; I857-S859 PolarHBondContact O-N 2.75Å; S859-E863 PolarHBondContact O-N 2.94Å |
| 860 | Q | 95.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 15% | 0.15 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.6 | -61.5 | -55.5 | -33.1 | 0 | 0 | 113.1 | H856 I857 S858 E863 L864 I907 I908 | H856-Q860 PolarHBondContact O-N 2.83Å; I857-Q860 WeakPolarHBondContact O-CA 3.27Å; I857-Q860 WeakPolarHBondContact O-CB 3.23Å; I857-Q860 PolarHBondContact O-N 3.42Å; S858-Q860 VanDerWaalsContact C-N 3.31Å; S858-Q860 PolarHBondContact O-N 3.05Å; Q860-E863 PolarHBondContact O-N 3.39Å; Q860-L864 WeakPolarHBondContact O-CG 3.4Å; Q860-L864 PolarHBondContact O-N 2.68Å; Q860-I907 HydrophobicContact CG-CG2 4.11Å; Q860-I908 HydrophobicContact CB-CD1 3.76Å; Q860-I908 HydrophobicContact CB-CG1 3.61Å; Q860-I908 HydrophobicContact CG-CG1 4.16Å |
| 861 | V | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | I857 S858 E863 L864 K865 I908 L977 I1037 | I857-V861 HydrophobicContact CG2-CG2 4.15Å; I857-V861 WeakPolarHBondContact O-CG2 3.5Å; I857-V861 PolarHBondContact O-N 2.84Å; S858-V861 PolarHBondContact O-N 3.35Å; S858-V861 VanDerWaalsContact O-N 3.17Å; V861-E863 VanDerWaalsContact C-N 3.28Å; V861-E863 PolarHBondContact O-N 3.38Å; V861-L864 PolarHBondContact O-N 3.42Å; V861-K865 HydrophobicContact CG1-CG 4.43Å; V861-K865 WeakPolarHBondContact O-CG 3.3Å; V861-K865 PolarHBondContact O-N 3.31Å; V861-I908 HydrophobicContact CG2-CD1 3.79Å; V861-L977 HydrophobicContact CB-CD2 3.79Å; V861-L977 HydrophobicContact CG1-CD2 3.94Å; V861-L977 HydrophobicContact CG2-CD2 3.76Å; V861-I1037 HydrophobicContact CG2-CD1 3.73Å |
| 862 | A | 93.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S858 K865 K866 | S858-A862 PolarHBondContact O-N 3.24Å; A862-K865 PolarHBondContact O-N 3.13Å; A862-K866 PolarHBondContact O-N 2.92Å |
| 863 | E | 94.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 28% | 0.28 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 175.9 | -68.2 | -63.5 | 119.9 | 0 | 0 | 112.2 | S859 Q860 V861 K865 K866 L867 R904 | S859-E863 PolarHBondContact O-N 2.94Å; Q860-E863 PolarHBondContact O-N 3.39Å; V861-E863 VanDerWaalsContact C-N 3.28Å; V861-E863 PolarHBondContact O-N 3.38Å; E863-K865 PolarHBondContact O-N 2.65Å; E863-K866 WeakPolarHBondContact O-CB 3.21Å; E863-K866 PolarHBondContact O-N 3.1Å; E863-K866 IonicContact OE1-NZ 2.76Å; E863-K866 PolarHBondContact OE1-NZ 3.3Å; E863-L867 PolarHBondContact O-N 2.7Å; E863-R904 IonicContact OE2-NH2 3.9Å; E863-R904 PolarHBondContact OE2-NH2 3.02Å |
| 864 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.2 | -75.7 | 169 | 0 | 0 | 0 | 112.3 | Q860 V861 K866 L867 V868 V901 R904 M905 I908 L997 | Q860-L864 WeakPolarHBondContact O-CG 3.4Å; Q860-L864 PolarHBondContact O-N 2.68Å; V861-L864 PolarHBondContact O-N 3.42Å; L864-K866 VanDerWaalsContact C-N 3.28Å; L864-K866 PolarHBondContact O-N 3.36Å; L864-L867 HydrophobicContact CD2-CD1 4.5Å; L864-L867 WeakPolarHBondContact O-CB 3.47Å; L864-L867 PolarHBondContact O-N 3.37Å; L864-L867 VanDerWaalsContact O-N 3.15Å; L864-V868 WeakPolarHBondContact O-CG2 3.47Å; L864-V868 PolarHBondContact O-N 3.08Å; L864-V901 HydrophobicContact CD2-CB 4.27Å; L864-V901 HydrophobicContact CD2-CG1 4.05Å; L864-V901 HydrophobicContact CD2-CG2 4.4Å; L864-R904 HydrophobicContact CD1-CB 4.31Å; L864-R904 HydrophobicContact CD2-CB 3.89Å; L864-R904 HydrophobicContact CG-CB 3.99Å; L864-M905 HydrophobicContact CD1-CG 3.97Å; L864-M905 HydrophobicContact CD1-SD 3.53Å; L864-M905 VanDerWaalsContact CD1-SD 3.53Å; L864-M905 HydrophobicContact CD2-CG 4.31Å; L864-I908 HydrophobicContact CD1-CD1 3.63Å; L864-L997 HydrophobicContact CB-CD1 4.09Å; L864-L997 HydrophobicContact CD2-CD1 4.33Å |
| 865 | K | 93.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -40.2 | 175.5 | -73 | 179.7 | 178 | -179.2 | 0 | 111.4 | V861 A862 E863 L867 V868 V869 I993 | V861-K865 HydrophobicContact CG1-CG 4.43Å; V861-K865 WeakPolarHBondContact O-CG 3.3Å; V861-K865 PolarHBondContact O-N 3.31Å; A862-K865 PolarHBondContact O-N 3.13Å; E863-K865 PolarHBondContact O-N 2.65Å; K865-L867 PolarHBondContact O-N 2.86Å; K865-V868 PolarHBondContact O-N 3.41Å; K865-V869 WeakPolarHBondContact O-CG2 3.44Å; K865-V869 PolarHBondContact O-N 3.43Å; K865-I993 HydrophobicContact CB-CG2 4.11Å; K865-I993 HydrophobicContact CG-CG2 3.87Å |
| 866 | K | 94.5 | Very high | 95.2 | Very high | 125 Ų | 125 | 42 Ų | 42 | 54% | 0.543 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.4 | -66.4 | 173.6 | -176.1 | 171.4 | 0 | 111.8 | A862 E863 L864 V868 V869 E870 | A862-K866 PolarHBondContact O-N 2.92Å; E863-K866 WeakPolarHBondContact O-CB 3.21Å; E863-K866 PolarHBondContact O-N 3.1Å; E863-K866 IonicContact OE1-NZ 2.76Å; E863-K866 PolarHBondContact OE1-NZ 3.3Å; L864-K866 VanDerWaalsContact C-N 3.28Å; L864-K866 PolarHBondContact O-N 3.36Å; K866-V868 VanDerWaalsContact C-N 3.32Å; K866-V868 PolarHBondContact O-N 2.83Å; K866-V869 PolarHBondContact O-N 3.42Å; K866-E870 PolarHBondContact O-N 2.82Å |
| 867 | L | 96.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -37.6 | 177.8 | -60.3 | 178.6 | 0 | 0 | 0 | 112.2 | E863 L864 K865 E870 N871 V901 F1000 | E863-L867 PolarHBondContact O-N 2.7Å; L864-L867 HydrophobicContact CD2-CD1 4.5Å; L864-L867 WeakPolarHBondContact O-CB 3.47Å; L864-L867 PolarHBondContact O-N 3.37Å; L864-L867 VanDerWaalsContact O-N 3.15Å; K865-L867 PolarHBondContact O-N 2.86Å; L867-E870 PolarHBondContact O-N 3.04Å; L867-N871 PolarHBondContact O-N 2.83Å; L867-N871 PolarHBondContact O-ND2 3.34Å; L867-V901 HydrophobicContact CB-CG2 4.21Å; L867-V901 HydrophobicContact CD1-CG2 3.72Å; L867-F1000 HydrophobicContact CB-CE1 4.24Å |
| 868 | V | 96 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | L864 K865 K866 E870 N871 M872 L875 I993 L996 L997 F1000 | L864-V868 WeakPolarHBondContact O-CG2 3.47Å; L864-V868 PolarHBondContact O-N 3.08Å; K865-V868 PolarHBondContact O-N 3.41Å; K866-V868 VanDerWaalsContact C-N 3.32Å; K866-V868 PolarHBondContact O-N 2.83Å; V868-E870 VanDerWaalsContact C-N 3.34Å; V868-E870 PolarHBondContact O-N 3.32Å; V868-N871 CarbonylContact O-C 3.22Å; V868-N871 PolarHBondContact O-N 3.47Å; V868-N871 VanDerWaalsContact O-N 3.17Å; V868-M872 WeakPolarHBondContact O-CA 3.25Å; V868-M872 PolarHBondContact O-N 3.08Å; V868-L875 HydrophobicContact CG1-CD1 4.12Å; V868-I993 HydrophobicContact CB-CG2 4.18Å; V868-I993 HydrophobicContact CG1-CB 4.43Å; V868-I993 HydrophobicContact CG1-CG2 3.93Å; V868-L996 HydrophobicContact CG1-CB 3.64Å; V868-L997 HydrophobicContact CG2-CB 3.91Å; V868-L997 HydrophobicContact CG2-CD1 3.83Å; V868-L997 HydrophobicContact CG2-CG 4.48Å; V868-F1000 HydrophobicContact CG2-CD1 4.09Å |
| 869 | V | 94.4 | Very high | 95.2 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -41.3 | 178 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | K865 K866 N871 M872 I993 | K865-V869 WeakPolarHBondContact O-CG2 3.44Å; K865-V869 PolarHBondContact O-N 3.43Å; K866-V869 PolarHBondContact O-N 3.42Å; V869-N871 PolarHBondContact O-N 3.29Å; V869-M872 HydrophobicContact CG2-CE 4.12Å; V869-M872 WeakPolarHBondContact O-CB 3.32Å; V869-M872 PolarHBondContact O-N 3.02Å; V869-I993 HydrophobicContact CG2-CD1 3.79Å; V869-I993 HydrophobicContact CG2-CG1 4.15Å |
| 870 | E | 96 | Very high | 95.1 | Very high | 117 Ų | 117 | 48.3 Ų | 48.3 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.6 | -33.1 | 175.4 | -168.9 | -172.1 | 152.3 | 0 | 0 | 112.4 | K866 L867 V868 T896 | K866-E870 PolarHBondContact O-N 2.82Å; L867-E870 PolarHBondContact O-N 3.04Å; V868-E870 VanDerWaalsContact C-N 3.34Å; V868-E870 PolarHBondContact O-N 3.32Å; E870-T896 PolarHBondContact OE1-OG1 3.45Å |
| 871 | N | 96.7 | Very high | 95 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 13.3 | -176.6 | -69.8 | -87.7 | 0 | 0 | 0 | 113.5 | L867 V868 V869 E873 V874 L875 L895 T896 F1000 | L867-N871 PolarHBondContact O-N 2.83Å; L867-N871 PolarHBondContact O-ND2 3.34Å; V868-N871 CarbonylContact O-C 3.22Å; V868-N871 PolarHBondContact O-N 3.47Å; V868-N871 VanDerWaalsContact O-N 3.17Å; V869-N871 PolarHBondContact O-N 3.29Å; N871-E873 PolarHBondContact O-N 2.92Å; N871-V874 PolarHBondContact O-N 3.21Å; N871-V874 VanDerWaalsContact O-N 3.16Å; N871-L875 HydrophobicContact CB-CD1 3.85Å; N871-L875 HydrophobicContact CB-CG 4.06Å; N871-L875 WeakPolarHBondContact O-CG 3.49Å; N871-L875 PolarHBondContact O-N 3.47Å; N871-L895 HydrophobicContact CB-CD2 3.89Å; N871-L895 WeakPolarHBondContact OD1-CA 3.41Å; N871-T896 PolarHBondContact ND2-OG1 3.49Å; N871-T896 VanDerWaalsContact ND2-OG1 3.13Å; N871-T896 PolarHBondContact OD1-N 3.34Å; N871-T896 PolarHBondContact OD1-OG1 3.19Å; N871-F1000 HydrophobicContact CB-CE1 4.08Å; N871-F1000 HydrophobicContact CB-CZ 4.3Å |
| 872 | M | 94.9 | Very high | 94.7 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 14% | 0.138 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.4 | -46.1 | -167.1 | -176.8 | 97.8 | 77.1 | 0 | 0 | 113.3 | V868 V869 T876 E989 K992 I993 L996 | V868-M872 WeakPolarHBondContact O-CA 3.25Å; V868-M872 PolarHBondContact O-N 3.08Å; V869-M872 HydrophobicContact CG2-CE 4.12Å; V869-M872 WeakPolarHBondContact O-CB 3.32Å; V869-M872 PolarHBondContact O-N 3.02Å; M872-T876 WeakPolarHBondContact O-CB 3.34Å; M872-T876 PolarHBondContact O-N 2.83Å; M872-T876 PolarHBondContact O-OG1 2.69Å; M872-E989 WeakPolarHBondContact CE-OE1 3.27Å; M872-K992 HydrophobicContact SD-CD 4.32Å; M872-I993 HydrophobicContact CE-CG1 4.12Å; M872-I993 HydrophobicContact SD-CG1 4.46Å; M872-L996 HydrophobicContact CG-CD1 4.04Å; M872-L996 HydrophobicContact SD-CD1 3.49Å; M872-L996 WeakPolarHBondContact SD-CD1 3.48Å |
| 873 | E | 94.9 | Very high | 94.4 | Very high | 158 Ų | 158 | 56.7 Ų | 56.7 | 74% | 0.738 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | -178.3 | -66.9 | -172.8 | 174.4 | 0 | 0 | 111.8 | N871 T876 Q877 | N871-E873 PolarHBondContact O-N 2.92Å; E873-T876 PolarHBondContact O-N 2.77Å; E873-Q877 WeakPolarHBondContact O-CG 3.29Å; E873-Q877 PolarHBondContact O-N 2.81Å; E873-Q877 VanDerWaalsContact O-N 3.16Å |
| 874 | V | 95.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -47.6 | -179.7 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | N871 T876 Q877 M878 L891 K894 L895 | N871-V874 PolarHBondContact O-N 3.21Å; N871-V874 VanDerWaalsContact O-N 3.16Å; V874-T876 VanDerWaalsContact C-N 3.3Å; V874-T876 PolarHBondContact O-N 3.33Å; V874-Q877 PolarHBondContact O-N 3.25Å; V874-M878 HydrophobicContact CG1-CG 4.34Å; V874-M878 HydrophobicContact CG1-SD 4.03Å; V874-M878 WeakPolarHBondContact O-CG 3.47Å; V874-M878 PolarHBondContact O-N 3.14Å; V874-L891 HydrophobicContact CG1-CB 4.18Å; V874-L891 HydrophobicContact CG1-CD2 4.3Å; V874-L891 WeakPolarHBondContact CG1-O 3.43Å; V874-K894 HydrophobicContact CG1-CB 4.32Å; V874-K894 HydrophobicContact CG2-CB 4.09Å; V874-L895 HydrophobicContact CB-CD2 4.06Å; V874-L895 HydrophobicContact CG1-CD2 3.68Å; V874-L895 HydrophobicContact CG1-CG 4.12Å |
| 875 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 179.2 | -66.4 | 170.2 | 0 | 0 | 0 | 111.9 | V868 N871 Q877 M878 R879 L895 L996 V999 F1000 | V868-L875 HydrophobicContact CG1-CD1 4.12Å; N871-L875 HydrophobicContact CB-CD1 3.85Å; N871-L875 HydrophobicContact CB-CG 4.06Å; N871-L875 WeakPolarHBondContact O-CG 3.49Å; N871-L875 PolarHBondContact O-N 3.47Å; L875-Q877 VanDerWaalsContact C-N 3.35Å; L875-Q877 PolarHBondContact O-N 2.84Å; L875-M878 PolarHBondContact O-N 2.94Å; L875-R879 WeakPolarHBondContact O-CB 3.17Å; L875-R879 PolarHBondContact O-N 3.29Å; L875-L895 HydrophobicContact CD2-CD1 4.49Å; L875-L895 HydrophobicContact CD2-CD2 3.8Å; L875-L895 HydrophobicContact CG-CD2 4.07Å; L875-L996 HydrophobicContact CB-CB 4.21Å; L875-L996 HydrophobicContact CB-CD1 4.3Å; L875-L996 HydrophobicContact CB-CD2 3.95Å; L875-L996 HydrophobicContact CB-CG 4.38Å; L875-L996 HydrophobicContact CD1-CB 4.27Å; L875-V999 HydrophobicContact CD2-CG1 4.25Å; L875-F1000 HydrophobicContact CD1-CB 4.03Å; L875-F1000 HydrophobicContact CD1-CD1 3.62Å; L875-F1000 HydrophobicContact CD1-CE1 4.2Å; L875-F1000 HydrophobicContact CD1-CG 3.95Å; L875-F1000 HydrophobicContact CD2-CB 3.68Å; L875-F1000 HydrophobicContact CD2-CD1 4.24Å; L875-F1000 HydrophobicContact CD2-CD2 3.99Å; L875-F1000 HydrophobicContact CD2-CG 3.73Å; L875-F1000 HydrophobicContact CG-CG 4.47Å |
| 876 | T | 95.7 | Very high | 93.6 | Very high | 54 Ų | 54 | 68.2 Ų | 68.2 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | M872 E873 V874 T880 | M872-T876 WeakPolarHBondContact O-CB 3.34Å; M872-T876 PolarHBondContact O-N 2.83Å; M872-T876 PolarHBondContact O-OG1 2.69Å; E873-T876 PolarHBondContact O-N 2.77Å; V874-T876 VanDerWaalsContact C-N 3.3Å; V874-T876 PolarHBondContact O-N 3.33Å; T876-T880 PolarHBondContact O-OG1 3.34Å |
| 877 | Q | 94.1 | Very high | 93.4 | Very high | 83 Ų | 83 | 66.4 Ų | 66.4 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.2 | -41.1 | 175.9 | -68.9 | 176.3 | 30.8 | 0 | 0 | 111.9 | E873 V874 L875 R879 T880 S881 L891 | E873-Q877 WeakPolarHBondContact O-CG 3.29Å; E873-Q877 PolarHBondContact O-N 2.81Å; E873-Q877 VanDerWaalsContact O-N 3.16Å; V874-Q877 PolarHBondContact O-N 3.25Å; L875-Q877 VanDerWaalsContact C-N 3.35Å; L875-Q877 PolarHBondContact O-N 2.84Å; Q877-R879 VanDerWaalsContact C-N 3.29Å; Q877-R879 PolarHBondContact O-N 2.75Å; Q877-T880 PolarHBondContact O-N 2.79Å; Q877-T880 PolarHBondContact O-OG1 2.65Å; Q877-S881 VanDerWaalsContact O-CB 3.27Å; Q877-S881 WeakPolarHBondContact O-CB 3.25Å; Q877-S881 PolarHBondContact O-N 2.96Å; Q877-S881 PolarHBondContact O-OG 2.92Å; Q877-S881 VanDerWaalsContact O-OG 3.07Å; Q877-L891 HydrophobicContact CB-CD1 3.87Å; Q877-L891 HydrophobicContact CB-CD2 4.24Å |
| 878 | M | 94.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 177 | -70.7 | -177 | 85.3 | 0 | 0 | 111.8 | V874 L875 T880 S881 F882 M888 L891 F892 L895 V999 V1003 | V874-M878 HydrophobicContact CG1-CG 4.34Å; V874-M878 HydrophobicContact CG1-SD 4.03Å; V874-M878 WeakPolarHBondContact O-CG 3.47Å; V874-M878 PolarHBondContact O-N 3.14Å; L875-M878 PolarHBondContact O-N 2.94Å; M878-T880 VanDerWaalsContact C-N 3.29Å; M878-T880 PolarHBondContact O-N 3.47Å; M878-S881 PolarHBondContact O-N 3.41Å; M878-F882 PolarHBondContact O-N 3.44Å; M878-M888 HydrophobicContact CB-CE 4.09Å; M878-M888 HydrophobicContact CB-SD 3.87Å; M878-M888 HydrophobicContact CE-CE 3.68Å; M878-M888 HydrophobicContact CE-SD 4.25Å; M878-M888 HydrophobicContact CG-CE 4.41Å; M878-M888 HydrophobicContact CG-SD 4.03Å; M878-M888 VanDerWaalsContact O-SD 3.41Å; M878-L891 HydrophobicContact CE-CB 4.48Å; M878-L891 HydrophobicContact CG-CB 3.53Å; M878-L891 HydrophobicContact CG-CD1 3.72Å; M878-L891 HydrophobicContact CG-CG 4.23Å; M878-L891 HydrophobicContact SD-CB 4.03Å; M878-F892 HydrophobicContact CE-CB 4.01Å; M878-F892 HydrophobicContact CE-CD2 4.27Å; M878-L895 HydrophobicContact CE-CD1 4.38Å; M878-L895 HydrophobicContact SD-CD1 3.85Å; M878-L895 HydrophobicContact SD-CD2 4.41Å; M878-L895 HydrophobicContact SD-CG 4.23Å; M878-V999 HydrophobicContact CB-CG1 4.37Å; M878-V1003 HydrophobicContact CE-CB 3.94Å; M878-V1003 HydrophobicContact CE-CG1 3.85Å; M878-V1003 HydrophobicContact CE-CG2 3.93Å; M878-V1003 HydrophobicContact SD-CG2 4.45Å |
| 879 | R | 95.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 68.4 Ų | 68.4 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -33.5 | 177.5 | -168.6 | -179.2 | -174.1 | -173.6 | 6 | 113.4 | L875 Q877 F882 C995 V999 E1055 | L875-R879 WeakPolarHBondContact O-CB 3.17Å; L875-R879 PolarHBondContact O-N 3.29Å; Q877-R879 VanDerWaalsContact C-N 3.29Å; Q877-R879 PolarHBondContact O-N 2.75Å; R879-F882 VanDerWaalsContact O-CD1 3.27Å; R879-F882 WeakPolarHBondContact O-CD1 3.36Å; R879-C995 VanDerWaalsContact NH1-CB 3.29Å; R879-V999 HydrophobicContact CB-CG1 4.46Å; R879-V999 HydrophobicContact CB-CG2 4Å; R879-V999 HydrophobicContact CG-CG2 3.82Å; R879-E1055 WeakPolarHBondContact CG-OE1 3.37Å; R879-E1055 IonicContact CZ-OE1 3.81Å; R879-E1055 IonicContact CZ-OE2 3.64Å; R879-E1055 IonicContact NE-OE1 3.22Å; R879-E1055 PolarHBondContact NE-OE1 2.85Å; R879-E1055 IonicContact NE-OE2 3.7Å; R879-E1055 IonicContact NH2-OE1 3.61Å; R879-E1055 PolarHBondContact NH2-OE1 3.24Å; R879-E1055 VanDerWaalsContact NH2-OE1 3.16Å; R879-E1055 IonicContact NH2-OE2 2.72Å; R879-E1055 PolarHBondContact NH2-OE2 3.11Å |
| 880 | T | 92.9 | Very high | 92.7 | Very high | 98 Ų | 98 | 67.2 Ų | 67.2 | 60% | 0.601 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -98.7 | -16.5 | -178 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | T876 Q877 M878 | T876-T880 PolarHBondContact O-OG1 3.34Å; Q877-T880 PolarHBondContact O-N 2.79Å; Q877-T880 PolarHBondContact O-OG1 2.65Å; M878-T880 VanDerWaalsContact C-N 3.29Å; M878-T880 PolarHBondContact O-N 3.47Å |
| 881 | S | 92.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | trans | -105.8 | 21.6 | -179.5 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | Q877 M878 D883 K884 M888 | Q877-S881 VanDerWaalsContact O-CB 3.27Å; Q877-S881 WeakPolarHBondContact O-CB 3.25Å; Q877-S881 PolarHBondContact O-N 2.96Å; Q877-S881 PolarHBondContact O-OG 2.92Å; Q877-S881 VanDerWaalsContact O-OG 3.07Å; M878-S881 PolarHBondContact O-N 3.41Å; S881-D883 PolarHBondContact O-N 3.38Å; S881-D883 VanDerWaalsContact O-N 3.11Å; S881-K884 PolarHBondContact O-N 2.9Å; S881-M888 WeakPolarHBondContact O-CG 3.4Å | ||
| 882 | F | 88.9 | Confident | 92.4 | Very high | 118 Ų | 118 | 64.4 Ų | 64.4 | 52% | 0.518 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.2 | -174.3 | 63.8 | -88.8 | 0 | 0 | 0 | 113.9 | M878 R879 L1059 | M878-F882 PolarHBondContact O-N 3.44Å; R879-F882 VanDerWaalsContact O-CD1 3.27Å; R879-F882 WeakPolarHBondContact O-CD1 3.36Å; F882-L1059 HydrophobicContact CB-CD1 3.93Å |
| 883 | D | 88.5 | Confident | 92.3 | Very high | 106 Ų | 106 | 71.8 Ų | 71.8 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.3 | 178.9 | 66.6 | -29.1 | 0 | 0 | 0 | 114.1 | S881 P885 | S881-D883 PolarHBondContact O-N 3.38Å; S881-D883 VanDerWaalsContact O-N 3.11Å; D883-P885 WeakPolarHBondContact O-CD 3.43Å |
| 884 | K | 91.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 70.7 Ų | 70.7 | 52% | 0.517 | 37% | 0.366 | S | S | . | . | trans | -112.1 | 93.8 | -178.2 | -66.1 | 173 | -171.2 | 169.8 | 0 | 111.7 | S881 D886 H887 M888 | S881-K884 PolarHBondContact O-N 2.9Å; K884-D886 PolarHBondContact O-N 2.94Å; K884-H887 HydrophobicContact CB-CB 4.04Å; K884-H887 PolarHBondContact O-N 3.44Å; K884-M888 WeakPolarHBondContact O-CG 3.41Å; K884-M888 PolarHBondContact O-N 3.35Å | ||
| 885 | P | 87.5 | Confident | 92.2 | Very high | 76 Ų | 76 | 70.5 Ų | 70.5 | 49% | 0.494 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | -170.1 | -26 | 35.1 | 0 | 0 | 0 | 115 | D883 H887 M888 A889 | D883-P885 WeakPolarHBondContact O-CD 3.43Å; P885-H887 VanDerWaalsContact C-N 3.33Å; P885-H887 PolarHBondContact O-N 2.86Å; P885-M888 PolarHBondContact O-N 3.21Å; P885-A889 PolarHBondContact O-N 3.18Å |
| 886 | D | 87.9 | Confident | 92.1 | Very high | 147 Ų | 147 | 73.2 Ų | 73.2 | 79% | 0.786 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.8 | -39.1 | -178 | -62.3 | -34.1 | 0 | 0 | 0 | 111.9 | K884 A890 | K884-D886 PolarHBondContact O-N 2.94Å; D886-A890 PolarHBondContact O-N 3.46Å; D886-A890 VanDerWaalsContact O-N 3.15Å |
| 887 | H | 89.6 | Confident | 92.1 | Very high | 87 Ų | 87 | 73.1 Ų | 73.1 | 40% | 0.403 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 177.2 | -158.8 | 60.9 | 0 | 0 | 0 | 111.1 | K884 P885 A889 A890 L891 | K884-H887 HydrophobicContact CB-CB 4.04Å; K884-H887 PolarHBondContact O-N 3.44Å; P885-H887 VanDerWaalsContact C-N 3.33Å; P885-H887 PolarHBondContact O-N 2.86Å; H887-A889 PolarHBondContact O-N 2.83Å; H887-A890 PolarHBondContact O-N 3.21Å; H887-L891 VanDerWaalsContact O-CG 3.31Å; H887-L891 WeakPolarHBondContact O-CG 3.37Å; H887-L891 PolarHBondContact O-N 3.41Å |
| 888 | M | 91.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 175.4 | -77.3 | -66 | -72.6 | 0 | 0 | 112.8 | M878 S881 K884 P885 A890 L891 F892 V1003 L1059 | M878-M888 HydrophobicContact CB-CE 4.09Å; M878-M888 HydrophobicContact CB-SD 3.87Å; M878-M888 HydrophobicContact CE-CE 3.68Å; M878-M888 HydrophobicContact CE-SD 4.25Å; M878-M888 HydrophobicContact CG-CE 4.41Å; M878-M888 HydrophobicContact CG-SD 4.03Å; M878-M888 VanDerWaalsContact O-SD 3.41Å; S881-M888 WeakPolarHBondContact O-CG 3.4Å; K884-M888 WeakPolarHBondContact O-CG 3.41Å; K884-M888 PolarHBondContact O-N 3.35Å; P885-M888 PolarHBondContact O-N 3.21Å; M888-A890 VanDerWaalsContact C-N 3.33Å; M888-A890 PolarHBondContact O-N 3.47Å; M888-L891 PolarHBondContact O-N 3.29Å; M888-F892 WeakPolarHBondContact O-CB 3.48Å; M888-F892 PolarHBondContact O-N 2.71Å; M888-V1003 HydrophobicContact CE-CG1 4.07Å; M888-L1059 HydrophobicContact CE-CD1 3.97Å |
| 889 | A | 89 | Confident | 91.9 | Very high | 58 Ų | 58 | 75.8 Ų | 75.8 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | P885 H887 | P885-A889 PolarHBondContact O-N 3.18Å; H887-A889 PolarHBondContact O-N 2.83Å |
| 890 | A | 91.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 75.3 Ų | 75.3 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D886 H887 M888 | D886-A890 PolarHBondContact O-N 3.46Å; D886-A890 VanDerWaalsContact O-N 3.15Å; H887-A890 PolarHBondContact O-N 3.21Å; M888-A890 VanDerWaalsContact C-N 3.33Å; M888-A890 PolarHBondContact O-N 3.47Å |
| 891 | L | 92.6 | Very high | 92 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.2 | -40 | 176.6 | -71.8 | 171.8 | 0 | 0 | 0 | 112 | V874 Q877 M878 H887 M888 K893 K894 | V874-L891 HydrophobicContact CG1-CB 4.18Å; V874-L891 HydrophobicContact CG1-CD2 4.3Å; V874-L891 WeakPolarHBondContact CG1-O 3.43Å; Q877-L891 HydrophobicContact CB-CD1 3.87Å; Q877-L891 HydrophobicContact CB-CD2 4.24Å; M878-L891 HydrophobicContact CE-CB 4.48Å; M878-L891 HydrophobicContact CG-CB 3.53Å; M878-L891 HydrophobicContact CG-CD1 3.72Å; M878-L891 HydrophobicContact CG-CG 4.23Å; M878-L891 HydrophobicContact SD-CB 4.03Å; H887-L891 VanDerWaalsContact O-CG 3.31Å; H887-L891 WeakPolarHBondContact O-CG 3.37Å; H887-L891 PolarHBondContact O-N 3.41Å; M888-L891 PolarHBondContact O-N 3.29Å; L891-K893 VanDerWaalsContact C-N 3.28Å; L891-K893 PolarHBondContact O-N 2.89Å; L891-K894 WeakPolarHBondContact O-CB 3.46Å; L891-K894 PolarHBondContact O-N 3.45Å |
| 892 | F | 93.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 70.3 Ų | 70.3 | 27% | 0.268 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 178.5 | -176.2 | -97.5 | 0 | 0 | 0 | 112.5 | M878 M888 K894 L895 V898 V1003 T1007 | M878-F892 HydrophobicContact CE-CB 4.01Å; M878-F892 HydrophobicContact CE-CD2 4.27Å; M888-F892 WeakPolarHBondContact O-CB 3.48Å; M888-F892 PolarHBondContact O-N 2.71Å; F892-K894 PolarHBondContact O-N 3.26Å; F892-K894 VanDerWaalsContact O-N 3.12Å; F892-L895 HydrophobicContact CD2-CD1 3.81Å; F892-L895 HydrophobicContact CE2-CD1 4.15Å; F892-L895 WeakPolarHBondContact O-CB 3.39Å; F892-L895 PolarHBondContact O-N 3.01Å; F892-V898 HydrophobicContact CZ-CG1 4.42Å; F892-V898 HydrophobicContact CZ-CG2 4.37Å; F892-V1003 HydrophobicContact CD2-CB 4.34Å; F892-V1003 HydrophobicContact CD2-CG2 4.21Å; F892-V1003 HydrophobicContact CE2-CG2 4.36Å; F892-V1003 WeakPolarHBondContact CE2-O 3.4Å; F892-T1007 HydrophobicContact CE1-CG2 4.16Å; F892-T1007 HydrophobicContact CZ-CG2 3.56Å |
| 893 | K | 92.4 | Very high | 92.4 | Very high | 184 Ų | 184 | 70.9 Ų | 70.9 | 80% | 0.8 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.3 | 176.4 | -70 | 180 | -179.3 | 178.8 | 0 | 114.1 | L891 | L891-K893 VanDerWaalsContact C-N 3.28Å; L891-K893 PolarHBondContact O-N 2.89Å |
| 894 | K | 94.6 | Very high | 92.8 | Very high | 135 Ų | 135 | 68.9 Ų | 68.9 | 59% | 0.587 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.8 | 176.8 | -62.2 | 179.7 | -180 | -179.1 | 0 | 113 | V874 L891 F892 | V874-K894 HydrophobicContact CG1-CB 4.32Å; V874-K894 HydrophobicContact CG2-CB 4.09Å; L891-K894 WeakPolarHBondContact O-CB 3.46Å; L891-K894 PolarHBondContact O-N 3.45Å; F892-K894 PolarHBondContact O-N 3.26Å; F892-K894 VanDerWaalsContact O-N 3.12Å |
| 895 | L | 95.2 | Very high | 93.1 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | trans | -71.4 | 135.5 | 177.4 | -67 | 175.1 | 0 | 0 | 0 | 110.6 | N871 V874 L875 M878 F892 V898 F1000 V1003 | N871-L895 HydrophobicContact CB-CD2 3.89Å; N871-L895 WeakPolarHBondContact OD1-CA 3.41Å; V874-L895 HydrophobicContact CB-CD2 4.06Å; V874-L895 HydrophobicContact CG1-CD2 3.68Å; V874-L895 HydrophobicContact CG1-CG 4.12Å; L875-L895 HydrophobicContact CD2-CD1 4.49Å; L875-L895 HydrophobicContact CD2-CD2 3.8Å; L875-L895 HydrophobicContact CG-CD2 4.07Å; M878-L895 HydrophobicContact CE-CD1 4.38Å; M878-L895 HydrophobicContact SD-CD1 3.85Å; M878-L895 HydrophobicContact SD-CD2 4.41Å; M878-L895 HydrophobicContact SD-CG 4.23Å; F892-L895 HydrophobicContact CD2-CD1 3.81Å; F892-L895 HydrophobicContact CE2-CD1 4.15Å; F892-L895 WeakPolarHBondContact O-CB 3.39Å; F892-L895 PolarHBondContact O-N 3.01Å; L895-V898 HydrophobicContact CB-CG2 3.97Å; L895-F1000 HydrophobicContact CB-CE2 4.29Å; L895-F1000 HydrophobicContact CD1-CD2 4.21Å; L895-F1000 HydrophobicContact CD1-CE2 3.96Å; L895-F1000 HydrophobicContact CD2-CE2 4.18Å; L895-F1000 HydrophobicContact CD2-CZ 4.42Å; L895-F1000 HydrophobicContact CG-CE2 4.38Å; L895-V1003 HydrophobicContact CD1-CG2 3.89Å | ||
| 896 | T | 94.3 | Very high | 93.6 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | trans | -100.3 | 156.4 | 172.6 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | E870 N871 V898 F1000 | E870-T896 PolarHBondContact OE1-OG1 3.45Å; N871-T896 PolarHBondContact ND2-OG1 3.49Å; N871-T896 VanDerWaalsContact ND2-OG1 3.13Å; N871-T896 PolarHBondContact OD1-N 3.34Å; N871-T896 PolarHBondContact OD1-OG1 3.19Å; T896-V898 VanDerWaalsContact C-N 3.28Å; T896-V898 PolarHBondContact O-N 3.49Å; T896-V898 VanDerWaalsContact O-N 3.1Å; T896-F1000 WeakPolarHBondContact O-CZ 3.25Å | ||
| 897 | S | 94.6 | Very high | 94 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | trans | 60 | 26.4 | 167.7 | -56.9 | 0 | 0 | 0 | 0 | 116.6 | D899 S900 V901 | S897-D899 VanDerWaalsContact C-N 3.31Å; S897-D899 PolarHBondContact O-N 2.69Å; S897-S900 WeakPolarHBondContact O-CB 3.1Å; S897-S900 PolarHBondContact O-N 2.77Å; S897-V901 PolarHBondContact O-N 3.41Å | ||
| 898 | V | 94.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 11% | 0.109 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.2 | -45.8 | 178 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | F892 L895 T896 S900 V901 L902 F1000 T1007 | F892-V898 HydrophobicContact CZ-CG1 4.42Å; F892-V898 HydrophobicContact CZ-CG2 4.37Å; L895-V898 HydrophobicContact CB-CG2 3.97Å; T896-V898 VanDerWaalsContact C-N 3.28Å; T896-V898 PolarHBondContact O-N 3.49Å; T896-V898 VanDerWaalsContact O-N 3.1Å; V898-S900 PolarHBondContact O-N 3.45Å; V898-V901 WeakPolarHBondContact O-CB 3.4Å; V898-V901 PolarHBondContact O-N 2.68Å; V898-V901 VanDerWaalsContact O-N 3.13Å; V898-L902 HydrophobicContact CG1-CD1 4.27Å; V898-L902 PolarHBondContact O-N 3.32Å; V898-L902 VanDerWaalsContact O-N 3.15Å; V898-F1000 HydrophobicContact CG2-CE2 4.13Å; V898-T1007 HydrophobicContact CG1-CG2 4.03Å |
| 899 | D | 91.9 | Very high | 94.7 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 66% | 0.658 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.2 | -33.3 | 178.8 | -67.1 | -19.4 | 0 | 0 | 0 | 112.4 | S897 K903 | S897-D899 VanDerWaalsContact C-N 3.31Å; S897-D899 PolarHBondContact O-N 2.69Å; D899-K903 WeakPolarHBondContact O-CB 3.22Å; D899-K903 PolarHBondContact O-N 3.45Å |
| 900 | S | 94.3 | Very high | 95.2 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.7 | -37.8 | 176.8 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | S897 V898 R904 | S897-S900 WeakPolarHBondContact O-CB 3.1Å; S897-S900 PolarHBondContact O-N 2.77Å; V898-S900 PolarHBondContact O-N 3.45Å; S900-R904 WeakPolarHBondContact O-CB 3.38Å; S900-R904 WeakPolarHBondContact O-CG 3.29Å; S900-R904 PolarHBondContact O-N 3.36Å |
| 901 | V | 96.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -51.1 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | L864 L867 S897 V898 R904 M905 F1000 V1001 | L864-V901 HydrophobicContact CD2-CB 4.27Å; L864-V901 HydrophobicContact CD2-CG1 4.05Å; L864-V901 HydrophobicContact CD2-CG2 4.4Å; L867-V901 HydrophobicContact CB-CG2 4.21Å; L867-V901 HydrophobicContact CD1-CG2 3.72Å; S897-V901 PolarHBondContact O-N 3.41Å; V898-V901 WeakPolarHBondContact O-CB 3.4Å; V898-V901 PolarHBondContact O-N 2.68Å; V898-V901 VanDerWaalsContact O-N 3.13Å; V901-R904 PolarHBondContact O-N 3Å; V901-M905 WeakPolarHBondContact O-CB 3.36Å; V901-M905 WeakPolarHBondContact O-CG 3.41Å; V901-M905 PolarHBondContact O-N 3.43Å; V901-F1000 HydrophobicContact CG1-CG 4.42Å; V901-F1000 HydrophobicContact CG2-CD1 3.83Å; V901-F1000 HydrophobicContact CG2-CD2 4.26Å; V901-F1000 HydrophobicContact CG2-CE1 3.59Å; V901-F1000 HydrophobicContact CG2-CE2 4.03Å; V901-F1000 HydrophobicContact CG2-CG 4.19Å; V901-F1000 HydrophobicContact CG2-CZ 3.7Å; V901-V1001 HydrophobicContact CG1-CG2 3.87Å |
| 902 | L | 95.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 179.8 | -67.3 | 169 | 0 | 0 | 0 | 111.5 | V898 R904 M905 T906 L1005 T1007 L1008 | V898-L902 HydrophobicContact CG1-CD1 4.27Å; V898-L902 PolarHBondContact O-N 3.32Å; V898-L902 VanDerWaalsContact O-N 3.15Å; L902-R904 PolarHBondContact O-N 2.92Å; L902-M905 PolarHBondContact O-N 3.05Å; L902-T906 WeakPolarHBondContact O-CB 3.11Å; L902-T906 PolarHBondContact O-N 2.81Å; L902-T906 PolarHBondContact O-OG1 2.8Å; L902-L1005 HydrophobicContact CD2-CD2 4.17Å; L902-T1007 WeakPolarHBondContact CD1-OG1 3.34Å; L902-L1008 HydrophobicContact CB-CD2 4.38Å; L902-L1008 HydrophobicContact CD1-CD2 3.78Å; L902-L1008 HydrophobicContact CD1-CG 3.97Å; L902-L1008 HydrophobicContact CD2-CD1 4.28Å; L902-L1008 HydrophobicContact CD2-CG 4.39Å; L902-L1008 HydrophobicContact CG-CD2 4.47Å |
| 903 | K | 94.6 | Very high | 95.9 | Very high | 131 Ų | 131 | 43.1 Ų | 43.1 | 57% | 0.57 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -58.5 | -47.5 | 178 | -176.9 | 176.3 | -179 | 178 | 0 | 112 | D899 T906 I907 | D899-K903 WeakPolarHBondContact O-CB 3.22Å; D899-K903 PolarHBondContact O-N 3.45Å; K903-T906 PolarHBondContact O-N 3.04Å; K903-I907 HydrophobicContact CG-CD1 4.22Å; K903-I907 WeakPolarHBondContact O-CG1 3.47Å; K903-I907 PolarHBondContact O-N 3.04Å |
| 904 | R | 97 | Very high | 96.2 | Very high | 63 Ų | 63 | 34.3 Ų | 34.3 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | -179.6 | -69 | -178.7 | -177.1 | -79.4 | 11.9 | 111.9 | E863 L864 S900 V901 L902 T906 I907 I908 | E863-R904 IonicContact OE2-NH2 3.9Å; E863-R904 PolarHBondContact OE2-NH2 3.02Å; L864-R904 HydrophobicContact CD1-CB 4.31Å; L864-R904 HydrophobicContact CD2-CB 3.89Å; L864-R904 HydrophobicContact CG-CB 3.99Å; S900-R904 WeakPolarHBondContact O-CB 3.38Å; S900-R904 WeakPolarHBondContact O-CG 3.29Å; S900-R904 PolarHBondContact O-N 3.36Å; V901-R904 PolarHBondContact O-N 3Å; L902-R904 PolarHBondContact O-N 2.92Å; R904-T906 VanDerWaalsContact C-N 3.31Å; R904-T906 PolarHBondContact O-N 2.87Å; R904-I907 PolarHBondContact O-N 3.2Å; R904-I908 WeakPolarHBondContact O-CG1 3.31Å; R904-I908 PolarHBondContact O-N 3.07Å |
| 905 | M | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | 173.5 | -75.2 | -63.5 | -65.5 | 0 | 0 | 112.1 | L864 V901 L902 I908 G909 V1001 L1030 A1033 I1034 | L864-M905 HydrophobicContact CD1-CG 3.97Å; L864-M905 HydrophobicContact CD1-SD 3.53Å; L864-M905 VanDerWaalsContact CD1-SD 3.53Å; L864-M905 HydrophobicContact CD2-CG 4.31Å; V901-M905 WeakPolarHBondContact O-CB 3.36Å; V901-M905 WeakPolarHBondContact O-CG 3.41Å; V901-M905 PolarHBondContact O-N 3.43Å; L902-M905 PolarHBondContact O-N 3.05Å; M905-I908 PolarHBondContact O-N 3Å; M905-I908 HydrophobicContact SD-CD1 4.21Å; M905-G909 PolarHBondContact O-N 2.99Å; M905-V1001 HydrophobicContact CE-CG2 4.39Å; M905-V1001 HydrophobicContact CG-CG2 3.83Å; M905-V1001 HydrophobicContact SD-CG2 4.37Å; M905-L1030 VanDerWaalsContact C-CD2 3.49Å; M905-L1030 HydrophobicContact CB-CD2 3.46Å; M905-L1030 VanDerWaalsContact CB-CD2 3.46Å; M905-A1033 HydrophobicContact CE-CB 3.83Å; M905-A1033 WeakPolarHBondContact O-CB 3.41Å; M905-I1034 HydrophobicContact CE-CG1 4.04Å |
| 906 | T | 97.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 10% | 0.104 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 173.9 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | L902 K903 R904 I908 G909 V910 N1026 | L902-T906 WeakPolarHBondContact O-CB 3.11Å; L902-T906 PolarHBondContact O-N 2.81Å; L902-T906 PolarHBondContact O-OG1 2.8Å; K903-T906 PolarHBondContact O-N 3.04Å; R904-T906 VanDerWaalsContact C-N 3.31Å; R904-T906 PolarHBondContact O-N 2.87Å; T906-I908 VanDerWaalsContact C-N 3.34Å; T906-I908 PolarHBondContact O-N 2.59Å; T906-G909 PolarHBondContact O-N 3.44Å; T906-G909 VanDerWaalsContact O-N 3.16Å; T906-V910 WeakPolarHBondContact O-CG2 3.35Å; T906-V910 PolarHBondContact O-N 3.31Å; T906-N1026 HydrophobicContact CG2-CB 3.88Å |
| 907 | I | 97.4 | Very high | 96.6 | Very high | 25 Ų | 25 | 26.5 Ų | 26.5 | 13% | 0.128 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.3 | -67.9 | 165 | 0 | 0 | 0 | 110.7 | Q860 K903 R904 G909 V910 I911 | Q860-I907 HydrophobicContact CG-CG2 4.11Å; K903-I907 HydrophobicContact CG-CD1 4.22Å; K903-I907 WeakPolarHBondContact O-CG1 3.47Å; K903-I907 PolarHBondContact O-N 3.04Å; R904-I907 PolarHBondContact O-N 3.2Å; I907-G909 VanDerWaalsContact C-N 3.32Å; I907-G909 PolarHBondContact O-N 3.25Å; I907-V910 WeakPolarHBondContact O-CB 3.07Å; I907-V910 PolarHBondContact O-N 3.18Å; I907-I911 HydrophobicContact CG2-CD1 3.95Å; I907-I911 WeakPolarHBondContact O-CG1 3.5Å; I907-I911 PolarHBondContact O-N 3.19Å |
| 908 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 175.1 | -68.4 | 170.8 | 0 | 0 | 0 | 110.5 | I857 Q860 V861 L864 R904 M905 T906 V910 I911 L912 A1033 I1037 | I857-I908 HydrophobicContact CD1-CG2 4.46Å; I857-I908 HydrophobicContact CG1-CG2 4.46Å; I857-I908 HydrophobicContact CG2-CD1 4.49Å; I857-I908 HydrophobicContact CG2-CG1 4.18Å; I857-I908 HydrophobicContact CG2-CG2 3.95Å; Q860-I908 HydrophobicContact CB-CD1 3.76Å; Q860-I908 HydrophobicContact CB-CG1 3.61Å; Q860-I908 HydrophobicContact CG-CG1 4.16Å; V861-I908 HydrophobicContact CG2-CD1 3.79Å; L864-I908 HydrophobicContact CD1-CD1 3.63Å; R904-I908 WeakPolarHBondContact O-CG1 3.31Å; R904-I908 PolarHBondContact O-N 3.07Å; M905-I908 PolarHBondContact O-N 3Å; M905-I908 HydrophobicContact SD-CD1 4.21Å; T906-I908 VanDerWaalsContact C-N 3.34Å; T906-I908 PolarHBondContact O-N 2.59Å; I908-V910 VanDerWaalsContact C-N 3.33Å; I908-V910 PolarHBondContact O-N 3.37Å; I908-I911 PolarHBondContact O-N 3Å; I908-L912 HydrophobicContact CG2-CD1 3.81Å; I908-L912 HydrophobicContact CG2-CG 4.41Å; I908-L912 WeakPolarHBondContact O-CG 3.17Å; I908-L912 PolarHBondContact O-N 3.14Å; I908-A1033 HydrophobicContact CB-CB 4.4Å; I908-A1033 HydrophobicContact CG2-CB 4.09Å; I908-I1037 HydrophobicContact CD1-CD1 4.44Å; I908-I1037 HydrophobicContact CG2-CD1 3.94Å; I908-I1037 HydrophobicContact CG2-CG1 3.88Å |
| 909 | G | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M905 T906 I907 L912 S913 C1029 | M905-G909 PolarHBondContact O-N 2.99Å; T906-G909 PolarHBondContact O-N 3.44Å; T906-G909 VanDerWaalsContact O-N 3.16Å; I907-G909 VanDerWaalsContact C-N 3.32Å; I907-G909 PolarHBondContact O-N 3.25Å; G909-L912 PolarHBondContact O-N 3.22Å; G909-S913 WeakPolarHBondContact O-CB 3.47Å; G909-S913 PolarHBondContact O-N 3.08Å; G909-S913 PolarHBondContact O-OG 3.27Å; G909-C1029 VanDerWaalsContact CA-O 3.24Å; G909-C1029 WeakPolarHBondContact CA-O 3.27Å |
| 910 | V | 98.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.5 | -49.5 | 175.3 | 156.4 | 0 | 0 | 0 | 0 | 110.7 | L795 V798 F812 T906 I907 I908 L912 S913 F914 N1026 C1029 | L795-V910 HydrophobicContact CD2-CG1 4.06Å; V798-V910 HydrophobicContact CB-CG1 4.14Å; V798-V910 HydrophobicContact CG1-CB 4.34Å; V798-V910 HydrophobicContact CG1-CG1 3.5Å; V798-V910 VanDerWaalsContact CG1-CG1 3.5Å; V798-V910 HydrophobicContact CG1-CG2 3.9Å; F812-V910 HydrophobicContact CE1-CG1 3.96Å; F812-V910 HydrophobicContact CZ-CG1 4.25Å; T906-V910 WeakPolarHBondContact O-CG2 3.35Å; T906-V910 PolarHBondContact O-N 3.31Å; I907-V910 WeakPolarHBondContact O-CB 3.07Å; I907-V910 PolarHBondContact O-N 3.18Å; I908-V910 VanDerWaalsContact C-N 3.33Å; I908-V910 PolarHBondContact O-N 3.37Å; V910-L912 VanDerWaalsContact C-N 3.33Å; V910-L912 PolarHBondContact O-N 3.27Å; V910-S913 WeakPolarHBondContact O-CB 3.38Å; V910-S913 PolarHBondContact O-N 2.86Å; V910-S913 VanDerWaalsContact O-N 3.14Å; V910-F914 PolarHBondContact O-N 3.12Å; V910-N1026 HydrophobicContact CG2-CB 3.74Å; V910-C1029 HydrophobicContact CG2-CB 4.37Å |
| 911 | I | 98.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 6% | 0.056 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 179.9 | -64.6 | 168.6 | 0 | 0 | 0 | 110.4 | L853 H856 I857 I907 I908 S913 F914 R915 | L853-I911 HydrophobicContact CB-CG2 3.78Å; L853-I911 HydrophobicContact CD2-CG2 3.79Å; L853-I911 HydrophobicContact CG-CG2 4.34Å; H856-I911 HydrophobicContact CB-CD1 4.04Å; I857-I911 HydrophobicContact CD1-CB 4.2Å; I857-I911 HydrophobicContact CD1-CG2 3.78Å; I857-I911 HydrophobicContact CG1-CB 4.06Å; I857-I911 HydrophobicContact CG1-CD1 4.16Å; I857-I911 HydrophobicContact CG1-CG2 3.75Å; I907-I911 HydrophobicContact CG2-CD1 3.95Å; I907-I911 WeakPolarHBondContact O-CG1 3.5Å; I907-I911 PolarHBondContact O-N 3.19Å; I908-I911 PolarHBondContact O-N 3Å; I911-S913 VanDerWaalsContact C-N 3.31Å; I911-S913 PolarHBondContact O-N 3.04Å; I911-F914 PolarHBondContact O-N 2.97Å; I911-R915 PolarHBondContact O-N 3.09Å |
| 912 | L | 97.9 | Very high | 97.5 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.2 | -32.4 | 176.1 | -70.2 | 169.9 | 0 | 0 | 0 | 112.9 | M854 I857 I908 G909 V910 R915 S916 L973 K1032 Q1036 | M854-L912 HydrophobicContact CE-CD2 4.2Å; I857-L912 HydrophobicContact CD1-CD2 3.6Å; I857-L912 HydrophobicContact CD1-CG 3.7Å; I908-L912 HydrophobicContact CG2-CD1 3.81Å; I908-L912 HydrophobicContact CG2-CG 4.41Å; I908-L912 WeakPolarHBondContact O-CG 3.17Å; I908-L912 PolarHBondContact O-N 3.14Å; G909-L912 PolarHBondContact O-N 3.22Å; V910-L912 VanDerWaalsContact C-N 3.33Å; V910-L912 PolarHBondContact O-N 3.27Å; L912-R915 PolarHBondContact O-N 3.26Å; L912-S916 PolarHBondContact O-N 3.18Å; L912-S916 PolarHBondContact O-OG 3.34Å; L912-L973 HydrophobicContact CD2-CD2 4.49Å; L912-K1032 HydrophobicContact CB-CD 3.83Å; L912-K1032 HydrophobicContact CB-CG 4.01Å; L912-Q1036 HydrophobicContact CD1-CB 3.84Å; L912-Q1036 HydrophobicContact CD1-CG 4.34Å |
| 913 | S | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | G909 V910 I911 S916 L917 | G909-S913 WeakPolarHBondContact O-CB 3.47Å; G909-S913 PolarHBondContact O-N 3.08Å; G909-S913 PolarHBondContact O-OG 3.27Å; V910-S913 WeakPolarHBondContact O-CB 3.38Å; V910-S913 PolarHBondContact O-N 2.86Å; V910-S913 VanDerWaalsContact O-N 3.14Å; I911-S913 VanDerWaalsContact C-N 3.31Å; I911-S913 PolarHBondContact O-N 3.04Å; S913-S916 WeakPolarHBondContact O-CB 3.18Å; S913-S916 PolarHBondContact O-N 2.97Å; S913-S916 VanDerWaalsContact O-N 3.15Å; S913-L917 PolarHBondContact O-N 2.94Å; S913-L917 VanDerWaalsContact O-N 3.11Å |
| 914 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 171.6 | -177.7 | -96.4 | 0 | 0 | 0 | 112.2 | Y790 L795 F812 M834 L849 L853 V910 I911 S916 L917 A918 | Y790-F914 HydrophobicContact CD1-CE1 4.44Å; Y790-F914 AromaticContact CD1-CE2 3.67Å; Y790-F914 HydrophobicContact CD1-CE2 3.67Å; Y790-F914 AromaticContact CD1-CZ 3.38Å; Y790-F914 HydrophobicContact CD1-CZ 3.38Å; Y790-F914 HydrophobicContact CD2-CZ 4.16Å; Y790-F914 AromaticContact CE1-CE2 3.9Å; Y790-F914 HydrophobicContact CE1-CE2 3.9Å; Y790-F914 AromaticContact CE1-CZ 3.79Å; Y790-F914 HydrophobicContact CE1-CZ 3.79Å; Y790-F914 HydrophobicContact CG-CE1 4.32Å; Y790-F914 HydrophobicContact CG-CE2 4.34Å; Y790-F914 AromaticContact CG-CZ 3.59Å; Y790-F914 HydrophobicContact CG-CZ 3.59Å; L795-F914 HydrophobicContact CD1-CD1 4.08Å; L795-F914 HydrophobicContact CD1-CG 4.26Å; L795-F914 HydrophobicContact CD2-CB 3.92Å; L795-F914 HydrophobicContact CD2-CD2 4.34Å; L795-F914 HydrophobicContact CD2-CG 4.07Å; F812-F914 HydrophobicContact CD2-CD2 4.12Å; F812-F914 HydrophobicContact CE2-CB 3.7Å; F812-F914 AromaticContact CE2-CD2 3.83Å; F812-F914 HydrophobicContact CE2-CD2 3.83Å; F812-F914 HydrophobicContact CE2-CG 4.27Å; F812-F914 HydrophobicContact CZ-CB 3.93Å; M834-F914 HydrophobicContact CE-CE1 4.47Å; M834-F914 HydrophobicContact CE-CE2 4.17Å; M834-F914 HydrophobicContact CE-CZ 3.89Å; M834-F914 HydrophobicContact SD-CE2 4.16Å; M834-F914 HydrophobicContact SD-CZ 4.29Å; L849-F914 HydrophobicContact CD1-CE1 4.4Å; L849-F914 HydrophobicContact CD2-CE1 4.26Å; L853-F914 HydrophobicContact CD1-CD1 3.79Å; L853-F914 HydrophobicContact CD1-CE1 4.14Å; L853-F914 HydrophobicContact CD2-CD1 3.9Å; L853-F914 HydrophobicContact CD2-CE1 4.36Å; V910-F914 PolarHBondContact O-N 3.12Å; I911-F914 PolarHBondContact O-N 2.97Å; F914-S916 VanDerWaalsContact C-N 3.27Å; F914-S916 PolarHBondContact O-N 2.77Å; F914-L917 PolarHBondContact O-N 2.69Å; F914-A918 PolarHBondContact O-N 3.3Å |
| 915 | R | 97.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 17.6 Ų | 17.6 | 5% | 0.053 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.8 | -39.6 | 172.7 | 173.2 | 168 | 165 | 68.7 | -8.4 | 112.2 | S850 L853 I911 L912 A918 Q919 D970 | S850-R915 PolarHBondContact OG-NH1 3.08Å; L853-R915 HydrophobicContact CD1-CB 4.15Å; I911-R915 PolarHBondContact O-N 3.09Å; L912-R915 PolarHBondContact O-N 3.26Å; R915-A918 WeakPolarHBondContact O-CB 3.48Å; R915-A918 PolarHBondContact O-N 3.39Å; R915-Q919 HydrophobicContact CG-CG 4.04Å; R915-Q919 WeakPolarHBondContact O-CB 3.1Å; R915-Q919 VanDerWaalsContact O-CG 3.23Å; R915-Q919 WeakPolarHBondContact O-CG 3.48Å; R915-Q919 PolarHBondContact O-N 3.21Å; R915-D970 IonicContact CZ-OD1 3.13Å; R915-D970 IonicContact CZ-OD2 2.77Å; R915-D970 VanDerWaalsContact CZ-OD2 3.31Å; R915-D970 IonicContact NE-OD1 2.75Å; R915-D970 IonicContact NE-OD2 3.5Å; R915-D970 PolarHBondContact NE-OD2 3.36Å; R915-D970 VanDerWaalsContact NH2-CG 3.32Å; R915-D970 IonicContact NH2-OD1 3.05Å; R915-D970 PolarHBondContact NH2-OD1 3.28Å; R915-D970 IonicContact NH2-OD2 3.36Å; R915-D970 PolarHBondContact NH2-OD2 2.81Å |
| 916 | S | 96.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 18.2 Ų | 18.2 | 18% | 0.175 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | L912 S913 F914 A918 Q919 E920 K1032 | L912-S916 PolarHBondContact O-N 3.18Å; L912-S916 PolarHBondContact O-OG 3.34Å; S913-S916 WeakPolarHBondContact O-CB 3.18Å; S913-S916 PolarHBondContact O-N 2.97Å; S913-S916 VanDerWaalsContact O-N 3.15Å; F914-S916 VanDerWaalsContact C-N 3.27Å; F914-S916 PolarHBondContact O-N 2.77Å; S916-A918 VanDerWaalsContact C-N 3.32Å; S916-A918 PolarHBondContact O-N 3.44Å; S916-Q919 PolarHBondContact O-N 2.58Å; S916-E920 WeakPolarHBondContact O-CB 3.15Å; S916-E920 VanDerWaalsContact O-CG 3.24Å; S916-E920 WeakPolarHBondContact O-CG 3.28Å; S916-E920 PolarHBondContact O-N 3.5Å; S916-K1032 WeakPolarHBondContact OG-CD 3.38Å; S916-K1032 WeakPolarHBondContact OG-CE 3.32Å; S916-K1032 PolarHBondContact OG-NZ 3.33Å |
| 917 | L | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 174.2 | -64.3 | 177.6 | 0 | 0 | 0 | 111.9 | Y805 K810 F812 M834 S913 F914 A921 | Y805-L917 HydrophobicContact CD2-CD1 4.29Å; Y805-L917 HydrophobicContact CE2-CD1 3.84Å; Y805-L917 HydrophobicContact CE2-CD2 4.12Å; Y805-L917 HydrophobicContact CE2-CG 4.14Å; K810-L917 HydrophobicContact CB-CD2 4.21Å; K810-L917 HydrophobicContact CD-CD2 4.14Å; K810-L917 WeakPolarHBondContact O-CD2 3.37Å; F812-L917 HydrophobicContact CD2-CD1 4.04Å; F812-L917 HydrophobicContact CE2-CD1 4.01Å; M834-L917 HydrophobicContact CG-CB 4.39Å; S913-L917 PolarHBondContact O-N 2.94Å; S913-L917 VanDerWaalsContact O-N 3.11Å; F914-L917 PolarHBondContact O-N 2.69Å; L917-A921 VanDerWaalsContact O-CB 3.31Å; L917-A921 WeakPolarHBondContact O-CB 3.4Å; L917-A921 PolarHBondContact O-N 3.11Å |
| 918 | A | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M834 M846 F914 R915 S916 L922 | M834-A918 HydrophobicContact CE-CB 3.54Å; M846-A918 HydrophobicContact CE-CB 3.66Å; F914-A918 PolarHBondContact O-N 3.3Å; R915-A918 WeakPolarHBondContact O-CB 3.48Å; R915-A918 PolarHBondContact O-N 3.39Å; S916-A918 VanDerWaalsContact C-N 3.32Å; S916-A918 PolarHBondContact O-N 3.44Å; A918-L922 WeakPolarHBondContact O-CB 3.42Å; A918-L922 PolarHBondContact O-N 3.29Å |
| 919 | Q | 96.9 | Very high | 97.6 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.9 | -41.7 | -179.8 | -70 | -69.2 | 113.5 | 0 | 0 | 112.4 | R915 S916 A921 L922 R923 S961 G964 | R915-Q919 HydrophobicContact CG-CG 4.04Å; R915-Q919 WeakPolarHBondContact O-CB 3.1Å; R915-Q919 VanDerWaalsContact O-CG 3.23Å; R915-Q919 WeakPolarHBondContact O-CG 3.48Å; R915-Q919 PolarHBondContact O-N 3.21Å; S916-Q919 PolarHBondContact O-N 2.58Å; Q919-A921 VanDerWaalsContact C-N 3.33Å; Q919-L922 PolarHBondContact O-N 3.19Å; Q919-R923 WeakPolarHBondContact O-CB 3.34Å; Q919-R923 PolarHBondContact O-N 2.97Å; Q919-S961 PolarHBondContact NE2-O 3.49Å; Q919-G964 WeakPolarHBondContact O-CA 3.21Å |
| 920 | E | 97.5 | Very high | 97.6 | Very high | 79 Ų | 79 | 31.6 Ų | 31.6 | 37% | 0.369 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 174.6 | -74.3 | 173.7 | -155.3 | 0 | 0 | 110.5 | K810 S916 R923 D924 | K810-E920 IonicContact NZ-OE1 3.9Å; K810-E920 PolarHBondContact NZ-OE1 3.47Å; K810-E920 VanDerWaalsContact NZ-OE1 3.16Å; K810-E920 IonicContact NZ-OE2 2.92Å; K810-E920 PolarHBondContact NZ-OE2 3.42Å; S916-E920 WeakPolarHBondContact O-CB 3.15Å; S916-E920 VanDerWaalsContact O-CG 3.24Å; S916-E920 WeakPolarHBondContact O-CG 3.28Å; S916-E920 PolarHBondContact O-N 3.5Å; E920-R923 PolarHBondContact O-N 2.76Å; E920-D924 PolarHBondContact O-N 3.45Å; E920-D924 VanDerWaalsContact O-N 3.09Å |
| 921 | A | 98 | Very high | 97.5 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M834 R835 L917 Q919 D924 V925 | M834-A921 VanDerWaalsContact C-CB 3.43Å; M834-A921 HydrophobicContact CB-CB 3.52Å; R835-A921 HydrophobicContact CG-CB 3.87Å; L917-A921 VanDerWaalsContact O-CB 3.31Å; L917-A921 WeakPolarHBondContact O-CB 3.4Å; L917-A921 PolarHBondContact O-N 3.11Å; Q919-A921 VanDerWaalsContact C-N 3.33Å; A921-D924 PolarHBondContact O-N 2.88Å; A921-V925 WeakPolarHBondContact O-CG2 3.34Å; A921-V925 PolarHBondContact O-N 2.74Å |
| 922 | L | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.2 | 177.1 | 63.9 | 0 | 0 | 0 | 111.3 | S838 M846 A918 Q919 D924 V925 L926 | S838-L922 PolarHBondContact OG-N 3.48Å; M846-L922 HydrophobicContact CB-CD1 4.4Å; M846-L922 HydrophobicContact CB-CD2 3.85Å; M846-L922 HydrophobicContact CG-CD1 4.14Å; M846-L922 HydrophobicContact CG-CD2 4.41Å; A918-L922 WeakPolarHBondContact O-CB 3.42Å; A918-L922 PolarHBondContact O-N 3.29Å; Q919-L922 PolarHBondContact O-N 3.19Å; L922-D924 VanDerWaalsContact C-N 3.32Å; L922-D924 PolarHBondContact O-N 3.32Å; L922-V925 PolarHBondContact O-N 3.15Å; L922-L926 HydrophobicContact CD1-CD1 3.79Å; L922-L926 HydrophobicContact CD1-CD2 4.33Å; L922-L926 HydrophobicContact CD1-CG 3.85Å; L922-L926 HydrophobicContact CD2-CD1 4.44Å; L922-L926 HydrophobicContact CG-CD1 3.84Å; L922-L926 HydrophobicContact CG-CG 4.24Å; L922-L926 WeakPolarHBondContact O-CB 3.47Å; L922-L926 VanDerWaalsContact O-CG 3.3Å; L922-L926 WeakPolarHBondContact O-CG 3.48Å; L922-L926 PolarHBondContact O-N 3.46Å |
| 923 | R | 98 | Very high | 97.4 | Very high | 87 Ų | 87 | 47.2 Ų | 47.2 | 33% | 0.328 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.3 | -48.8 | 177.4 | -175.9 | -173.8 | 178 | -170.4 | 0.9 | 111 | Q919 E920 V925 L926 S927 E938 | Q919-R923 WeakPolarHBondContact O-CB 3.34Å; Q919-R923 PolarHBondContact O-N 2.97Å; E920-R923 PolarHBondContact O-N 2.76Å; R923-V925 VanDerWaalsContact C-N 3.35Å; R923-V925 PolarHBondContact O-N 2.78Å; R923-L926 PolarHBondContact O-N 3.41Å; R923-S927 WeakPolarHBondContact O-CB 3.38Å; R923-S927 PolarHBondContact O-N 2.8Å; R923-S927 PolarHBondContact O-OG 3.19Å; R923-E938 IonicContact CZ-OE1 2.64Å; R923-E938 IonicContact NE-OE1 3.37Å; R923-E938 IonicContact NH2-OE1 2.71Å; R923-E938 PolarHBondContact NH2-OE1 3.08Å |
| 924 | D | 97.6 | Very high | 97.3 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 31% | 0.305 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -44.7 | -179.3 | -73 | -8.9 | 0 | 0 | 0 | 111.5 | R835 E920 A921 L922 S927 C928 | R835-D924 IonicContact CZ-OD2 2.65Å; R835-D924 IonicContact NE-OD2 2.76Å; R835-D924 PolarHBondContact NE-OD2 2.84Å; R835-D924 IonicContact NH2-OD2 3.59Å; R835-D924 PolarHBondContact NH2-OD2 3.37Å; E920-D924 PolarHBondContact O-N 3.45Å; E920-D924 VanDerWaalsContact O-N 3.09Å; A921-D924 PolarHBondContact O-N 2.88Å; L922-D924 VanDerWaalsContact C-N 3.32Å; L922-D924 PolarHBondContact O-N 3.32Å; D924-S927 PolarHBondContact O-N 3.02Å; D924-S927 PolarHBondContact O-OG 3.41Å; D924-C928 PolarHBondContact O-N 3.48Å; D924-C928 PolarHBondContact O-SG 2.75Å; D924-C928 VanDerWaalsContact O-SG 3.34Å |
| 925 | V | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | R835 E839 A921 L922 R923 S927 C928 H929 | R835-V925 HydrophobicContact CB-CG2 4.01Å; R835-V925 HydrophobicContact CG-CG2 4.17Å; E839-V925 HydrophobicContact CG-CG1 3.97Å; E839-V925 HydrophobicContact CG-CG2 4.08Å; A921-V925 WeakPolarHBondContact O-CG2 3.34Å; A921-V925 PolarHBondContact O-N 2.74Å; L922-V925 PolarHBondContact O-N 3.15Å; R923-V925 VanDerWaalsContact C-N 3.35Å; R923-V925 PolarHBondContact O-N 2.78Å; V925-S927 PolarHBondContact O-N 3Å; V925-C928 WeakPolarHBondContact O-CB 3.46Å; V925-C928 PolarHBondContact O-N 2.96Å; V925-C928 VanDerWaalsContact O-N 3.13Å; V925-H929 PolarHBondContact O-CD2 3.19Å; V925-H929 VanDerWaalsContact O-CD2 3.29Å; V925-H929 PolarHBondContact O-N 2.96Å |
| 926 | L | 97.6 | Very high | 97.2 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68 | -34.6 | -178.2 | -64.9 | 179.9 | 0 | 0 | 0 | 112.8 | P843 L922 R923 C928 H929 I930 V934 A963 | P843-L926 HydrophobicContact CG-CD1 4.1Å; P843-L926 HydrophobicContact CG-CD2 3.89Å; L922-L926 HydrophobicContact CD1-CD1 3.79Å; L922-L926 HydrophobicContact CD1-CD2 4.33Å; L922-L926 HydrophobicContact CD1-CG 3.85Å; L922-L926 HydrophobicContact CD2-CD1 4.44Å; L922-L926 HydrophobicContact CG-CD1 3.84Å; L922-L926 HydrophobicContact CG-CG 4.24Å; L922-L926 WeakPolarHBondContact O-CB 3.47Å; L922-L926 VanDerWaalsContact O-CG 3.3Å; L922-L926 WeakPolarHBondContact O-CG 3.48Å; L922-L926 PolarHBondContact O-N 3.46Å; R923-L926 PolarHBondContact O-N 3.41Å; L926-C928 PolarHBondContact O-N 3.08Å; L926-H929 PolarHBondContact O-N 2.83Å; L926-I930 HydrophobicContact CB-CD1 4.28Å; L926-I930 HydrophobicContact CB-CG1 4.05Å; L926-I930 HydrophobicContact CD2-CD1 3.98Å; L926-I930 HydrophobicContact CD2-CG1 4.18Å; L926-I930 CarbonylContact O-C 3.53Å; L926-I930 WeakPolarHBondContact O-CG1 3.43Å; L926-I930 PolarHBondContact O-N 2.69Å; L926-V934 HydrophobicContact CB-CG2 3.96Å; L926-A963 HydrophobicContact CD1-CB 4.36Å |
| 927 | S | 96.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -27.6 | 174.6 | 74 | 0 | 0 | 0 | 0 | 112.3 | R923 D924 V925 P931 | R923-S927 WeakPolarHBondContact O-CB 3.38Å; R923-S927 PolarHBondContact O-N 2.8Å; R923-S927 PolarHBondContact O-OG 3.19Å; D924-S927 PolarHBondContact O-N 3.02Å; D924-S927 PolarHBondContact O-OG 3.41Å; V925-S927 PolarHBondContact O-N 3Å; S927-P931 WeakPolarHBondContact O-CB 3.39Å |
| 928 | C | 96.3 | Very high | 97.1 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 69% | 0.689 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -83 | -42.7 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | D924 V925 L926 | D924-C928 PolarHBondContact O-N 3.48Å; D924-C928 PolarHBondContact O-SG 2.75Å; D924-C928 VanDerWaalsContact O-SG 3.34Å; V925-C928 WeakPolarHBondContact O-CB 3.46Å; V925-C928 PolarHBondContact O-N 2.96Å; V925-C928 VanDerWaalsContact O-N 3.13Å; L926-C928 PolarHBondContact O-N 3.08Å |
| 929 | H | 95.3 | Very high | 97 | Very high | 109 Ų | 109 | 60.2 Ų | 60.2 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82 | -38.6 | -174.6 | -80.8 | -84.3 | 0 | 0 | 0 | 114.2 | E839 V925 L926 P931 | E839-H929 IonicContact OE1-CD2 2.7Å; E839-H929 IonicContact OE1-NE2 3.16Å; E839-H929 PolarHBondContact OE1-NE2 3.16Å; E839-H929 IonicContact OE2-CD2 2.68Å; E839-H929 IonicContact OE2-CE1 3.88Å; E839-H929 IonicContact OE2-NE2 3.35Å; E839-H929 PolarHBondContact OE2-NE2 2.82Å; V925-H929 PolarHBondContact O-CD2 3.19Å; V925-H929 VanDerWaalsContact O-CD2 3.29Å; V925-H929 PolarHBondContact O-N 2.96Å; L926-H929 PolarHBondContact O-N 2.83Å; H929-P931 VanDerWaalsContact C-CD 3.43Å |
| 930 | I | 97.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 33% | 0.328 | 35% | 0.345 | S | S | . | . | trans | -131.5 | 54.6 | -175.3 | 53.5 | 165.5 | 0 | 0 | 0 | 112.1 | L926 F932 L933 V934 | L926-I930 HydrophobicContact CB-CD1 4.28Å; L926-I930 HydrophobicContact CB-CG1 4.05Å; L926-I930 HydrophobicContact CD2-CD1 3.98Å; L926-I930 HydrophobicContact CD2-CG1 4.18Å; L926-I930 CarbonylContact O-C 3.53Å; L926-I930 WeakPolarHBondContact O-CG1 3.43Å; L926-I930 PolarHBondContact O-N 2.69Å; I930-F932 VanDerWaalsContact C-N 3.27Å; I930-F932 PolarHBondContact O-N 3.29Å; I930-F932 VanDerWaalsContact O-N 3.15Å; I930-L933 HydrophobicContact CB-CB 4.27Å; I930-L933 HydrophobicContact CB-CD1 4.18Å; I930-L933 HydrophobicContact CB-CG 4.44Å; I930-L933 HydrophobicContact CD1-CB 4.24Å; I930-L933 HydrophobicContact CD1-CD1 4.11Å; I930-L933 HydrophobicContact CG2-CD1 4.34Å; I930-L933 PolarHBondContact O-N 3.49Å; I930-V934 HydrophobicContact CD1-CG2 4.48Å; I930-V934 HydrophobicContact CG1-CG2 4.14Å; I930-V934 PolarHBondContact O-N 3.25Å | ||
| 931 | P | 96.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57 | -36.7 | -171.7 | 21.4 | -33.7 | 0 | 0 | 0 | 113.8 | S927 H929 S935 | S927-P931 WeakPolarHBondContact O-CB 3.39Å; H929-P931 VanDerWaalsContact C-CD 3.43Å; P931-S935 VanDerWaalsContact O-CB 3.28Å; P931-S935 WeakPolarHBondContact O-CB 3.48Å; P931-S935 PolarHBondContact O-N 2.89Å |
| 932 | F | 97.1 | Very high | 96.5 | Very high | 177 Ų | 177 | 67.2 Ų | 67.2 | 78% | 0.776 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68 | -37.2 | 179.6 | -62.1 | -72.6 | 0 | 0 | 0 | 112.9 | I930 S936 | I930-F932 VanDerWaalsContact C-N 3.27Å; I930-F932 PolarHBondContact O-N 3.29Å; I930-F932 VanDerWaalsContact O-N 3.15Å; F932-S936 PolarHBondContact O-N 2.94Å; F932-S936 PolarHBondContact O-OG 3.49Å |
| 933 | L | 96.9 | Very high | 96.2 | Very high | 109 Ų | 109 | 73.5 Ų | 73.5 | 57% | 0.571 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -71.4 | -46.8 | 176.4 | -65.1 | -178.6 | 0 | 0 | 0 | 110.1 | I930 S935 S936 V937 | I930-L933 HydrophobicContact CB-CB 4.27Å; I930-L933 HydrophobicContact CB-CD1 4.18Å; I930-L933 HydrophobicContact CB-CG 4.44Å; I930-L933 HydrophobicContact CD1-CB 4.24Å; I930-L933 HydrophobicContact CD1-CD1 4.11Å; I930-L933 HydrophobicContact CG2-CD1 4.34Å; I930-L933 PolarHBondContact O-N 3.49Å; L933-S935 VanDerWaalsContact C-N 3.35Å; L933-S935 PolarHBondContact O-N 3.33Å; L933-S936 PolarHBondContact O-N 3.18Å; L933-S936 VanDerWaalsContact O-N 3.15Å; L933-V937 WeakPolarHBondContact O-CG2 3.46Å; L933-V937 PolarHBondContact O-N 3.2Å |
| 934 | V | 96.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 178.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | L926 I930 S936 V937 E938 | L926-V934 HydrophobicContact CB-CG2 3.96Å; I930-V934 HydrophobicContact CD1-CG2 4.48Å; I930-V934 HydrophobicContact CG1-CG2 4.14Å; I930-V934 PolarHBondContact O-N 3.25Å; V934-S936 VanDerWaalsContact C-N 3.26Å; V934-S936 PolarHBondContact O-N 3.48Å; V934-V937 PolarHBondContact O-N 2.92Å; V934-V937 VanDerWaalsContact O-N 3.08Å; V934-E938 HydrophobicContact CG1-CG 4.17Å; V934-E938 WeakPolarHBondContact O-CB 3.43Å; V934-E938 WeakPolarHBondContact O-CG 3.05Å; V934-E938 PolarHBondContact O-N 3.12Å |
| 935 | S | 96.8 | Very high | 95 | Very high | 72 Ų | 72 | 72.4 Ų | 72.4 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 177.2 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | P931 L933 D939 | P931-S935 VanDerWaalsContact O-CB 3.28Å; P931-S935 WeakPolarHBondContact O-CB 3.48Å; P931-S935 PolarHBondContact O-N 2.89Å; L933-S935 VanDerWaalsContact C-N 3.35Å; L933-S935 PolarHBondContact O-N 3.33Å; S935-D939 WeakPolarHBondContact O-CB 3.38Å; S935-D939 PolarHBondContact O-N 3.5Å |
| 936 | S | 97.1 | Very high | 93.6 | Very high | 76 Ų | 76 | 84.4 Ų | 84.4 | 53% | 0.531 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.7 | -38 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | F932 L933 V934 F940 | F932-S936 PolarHBondContact O-N 2.94Å; F932-S936 PolarHBondContact O-OG 3.49Å; L933-S936 PolarHBondContact O-N 3.18Å; L933-S936 VanDerWaalsContact O-N 3.15Å; V934-S936 VanDerWaalsContact C-N 3.26Å; V934-S936 PolarHBondContact O-N 3.48Å; S936-F940 WeakPolarHBondContact O-CB 3.43Å; S936-F940 PolarHBondContact O-N 2.93Å |
| 937 | V | 96.7 | Very high | 92.4 | Very high | 20 Ų | 20 | 93 Ų | 93 | 12% | 0.121 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -70.4 | -40.4 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | L933 V934 F940 K941 L959 A963 L965 | L933-V937 WeakPolarHBondContact O-CG2 3.46Å; L933-V937 PolarHBondContact O-N 3.2Å; V934-V937 PolarHBondContact O-N 2.92Å; V934-V937 VanDerWaalsContact O-N 3.08Å; V937-F940 PolarHBondContact O-N 2.73Å; V937-K941 WeakPolarHBondContact O-CB 3.18Å; V937-K941 PolarHBondContact O-N 2.97Å; V937-L959 HydrophobicContact CG1-CG 4.34Å; V937-L959 HydrophobicContact CG2-CD2 4.34Å; V937-L959 HydrophobicContact CG2-CG 4.32Å; V937-A963 HydrophobicContact CG1-CB 4.35Å; V937-L965 HydrophobicContact CB-CD1 4.33Å; V937-L965 HydrophobicContact CG1-CD1 3.6Å |
| 938 | E | 96.1 | Very high | 91.4 | Very high | 53 Ų | 53 | 92.9 Ų | 92.9 | 25% | 0.248 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.6 | -53.5 | 174.2 | -78 | -177.9 | 153.9 | 0 | 0 | 110.9 | R923 V934 F940 K941 D942 L965 | R923-E938 IonicContact CZ-OE1 2.64Å; R923-E938 IonicContact NE-OE1 3.37Å; R923-E938 IonicContact NH2-OE1 2.71Å; R923-E938 PolarHBondContact NH2-OE1 3.08Å; V934-E938 HydrophobicContact CG1-CG 4.17Å; V934-E938 WeakPolarHBondContact O-CB 3.43Å; V934-E938 WeakPolarHBondContact O-CG 3.05Å; V934-E938 PolarHBondContact O-N 3.12Å; E938-F940 VanDerWaalsContact C-N 3.29Å; E938-F940 PolarHBondContact O-N 3.1Å; E938-K941 PolarHBondContact O-N 3.01Å; E938-K941 VanDerWaalsContact O-N 3.15Å; E938-D942 PolarHBondContact O-N 3.41Å; E938-L965 HydrophobicContact CG-CD1 3.92Å; E938-L965 HydrophobicContact CG-CD2 3.53Å; E938-L965 HydrophobicContact CG-CG 4.31Å |
| 939 | D | 96.1 | Very high | 90.7 | Very high | 95 Ų | 95 | 92.9 Ų | 92.9 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 177.8 | -176.6 | 68.7 | 0 | 0 | 0 | 112 | S935 K941 D942 H943 | S935-D939 WeakPolarHBondContact O-CB 3.38Å; S935-D939 PolarHBondContact O-N 3.5Å; D939-K941 PolarHBondContact O-N 3.41Å; D939-D942 PolarHBondContact O-N 2.97Å; D939-H943 PolarHBondContact O-N 3.3Å; D939-H943 PolarHBondContact O-ND1 3.27Å; D939-H943 IonicContact OD1-CE1 2.65Å; D939-H943 PolarHBondContact OD1-CE1 3.27Å; D939-H943 IonicContact OD1-ND1 3.09Å; D939-H943 PolarHBondContact OD1-ND1 3.3Å; D939-H943 VanDerWaalsContact OD1-ND1 3.08Å |
| 940 | F | 94.5 | Very high | 90.1 | Very high | 115 Ų | 115 | 92 Ų | 92 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.7 | -33.4 | 178.8 | -172.5 | -117.4 | 0 | 0 | 0 | 113 | S936 V937 E938 I944 V956 | S936-F940 WeakPolarHBondContact O-CB 3.43Å; S936-F940 PolarHBondContact O-N 2.93Å; V937-F940 PolarHBondContact O-N 2.73Å; E938-F940 VanDerWaalsContact C-N 3.29Å; E938-F940 PolarHBondContact O-N 3.1Å; F940-I944 VanDerWaalsContact O-CG1 3.28Å; F940-I944 WeakPolarHBondContact O-CG1 3.45Å; F940-V956 HydrophobicContact CD1-CG1 3.61Å; F940-V956 HydrophobicContact CD1-CG2 4.37Å; F940-V956 HydrophobicContact CE1-CB 4.21Å; F940-V956 HydrophobicContact CE1-CG1 3.73Å; F940-V956 HydrophobicContact CE1-CG2 3.62Å; F940-V956 HydrophobicContact CZ-CG2 4.09Å |
| 941 | K | 93.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 96.7 Ų | 96.7 | 8% | 0.078 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -72.3 | -43.9 | 174.9 | -176.1 | -169.6 | 175.7 | -75.1 | 0 | 111.9 | V937 E938 D939 H943 I944 Y957 L965 P966 E968 | V937-K941 WeakPolarHBondContact O-CB 3.18Å; V937-K941 PolarHBondContact O-N 2.97Å; E938-K941 PolarHBondContact O-N 3.01Å; E938-K941 VanDerWaalsContact O-N 3.15Å; D939-K941 PolarHBondContact O-N 3.41Å; K941-H943 VanDerWaalsContact C-N 3.31Å; K941-H943 PolarHBondContact O-N 2.94Å; K941-I944 VanDerWaalsContact O-CD1 3.26Å; K941-I944 WeakPolarHBondContact O-CD1 3.4Å; K941-I944 WeakPolarHBondContact O-CG1 3.21Å; K941-Y957 HydrophobicContact CG-CD1 4.44Å; K941-Y957 HydrophobicContact CG-CE1 4.32Å; K941-L965 HydrophobicContact CD-CB 4.5Å; K941-P966 WeakPolarHBondContact CE-O 3.23Å; K941-E968 IonicContact NZ-OE1 3.54Å; K941-E968 PolarHBondContact NZ-OE1 3.29Å; K941-E968 IonicContact NZ-OE2 2.61Å; K941-E968 PolarHBondContact NZ-OE2 3.48Å |
| 942 | D | 93.1 | Very high | 89 | Confident | 115 Ų | 115 | 97.4 Ų | 97.4 | 62% | 0.615 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -74.4 | -24.6 | -169.7 | -71.3 | -12.3 | 0 | 0 | 0 | 112.6 | E938 D939 | E938-D942 PolarHBondContact O-N 3.41Å; D939-D942 PolarHBondContact O-N 2.97Å |
| 943 | H | 92.1 | Very high | 88.6 | Confident | 135 Ų | 135 | 89.5 Ų | 89.5 | 63% | 0.625 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 19.7 | -176.9 | -58.4 | 99.4 | 0 | 0 | 0 | 114.5 | D939 K941 P945 | D939-H943 PolarHBondContact O-N 3.3Å; D939-H943 PolarHBondContact O-ND1 3.27Å; D939-H943 IonicContact OD1-CE1 2.65Å; D939-H943 PolarHBondContact OD1-CE1 3.27Å; D939-H943 IonicContact OD1-ND1 3.09Å; D939-H943 PolarHBondContact OD1-ND1 3.3Å; D939-H943 VanDerWaalsContact OD1-ND1 3.08Å; K941-H943 VanDerWaalsContact C-N 3.31Å; K941-H943 PolarHBondContact O-N 2.94Å; H943-P945 WeakPolarHBondContact O-CD 3.33Å |
| 944 | I | 88.8 | Confident | 88.3 | Confident | 37 Ų | 37 | 85.6 Ų | 85.6 | 19% | 0.19 | 43% | 0.432 | C | S | . | . | trans | -66.6 | 125.8 | 174.3 | -48.3 | 160.7 | 0 | 0 | 0 | 109.3 | F940 K941 T948 V956 Y957 | F940-I944 VanDerWaalsContact O-CG1 3.28Å; F940-I944 WeakPolarHBondContact O-CG1 3.45Å; K941-I944 VanDerWaalsContact O-CD1 3.26Å; K941-I944 WeakPolarHBondContact O-CD1 3.4Å; K941-I944 WeakPolarHBondContact O-CG1 3.21Å; I944-T948 HydrophobicContact CG2-CG2 3.97Å; I944-V956 HydrophobicContact CD1-CB 3.77Å; I944-V956 HydrophobicContact CD1-CG1 3.51Å; I944-V956 HydrophobicContact CD1-CG2 4.22Å; I944-V956 HydrophobicContact CG1-CB 4.47Å; I944-V956 HydrophobicContact CG1-CG1 4.02Å; I944-V956 HydrophobicContact CG1-CG2 4.48Å; I944-Y957 HydrophobicContact CD1-CD1 4.44Å; I944-Y957 HydrophobicContact CD1-CE1 3.95Å | ||
| 945 | P | 82.5 | Confident | 88.2 | Confident | 84 Ų | 84 | 90.3 Ų | 90.3 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | trans | -59.6 | 139 | 177.4 | -22.5 | 31.1 | 0 | 0 | 0 | 112.6 | H943 E947 T948 | H943-P945 WeakPolarHBondContact O-CD 3.33Å; P945-E947 PolarHBondContact O-N 3.09Å; P945-E947 VanDerWaalsContact O-N 3.08Å; P945-T948 WeakPolarHBondContact CD-OG1 3.33Å; P945-T948 WeakPolarHBondContact O-CB 3.09Å; P945-T948 PolarHBondContact O-N 3.18Å; P945-T948 PolarHBondContact O-OG1 3.15Å | ||
| 946 | R | 68.8 | Low | 88 | Confident | 263 Ų | 263 | 87.3 Ų | 87.3 | 99% | 0.992 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.8 | 176.1 | -68.7 | -175.8 | 178.8 | 178.9 | -1.4 | 113.9 | T948 | R946-T948 VanDerWaalsContact C-N 3.35Š|
| 947 | E | 70.8 | Confident | 87.9 | Confident | 193 Ų | 193 | 85.3 Ų | 85.3 | 90% | 0.902 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.8 | 177.2 | -61.4 | 179.4 | 179.4 | 0 | 0 | 113.1 | P945 | P945-E947 PolarHBondContact O-N 3.09Å; P945-E947 VanDerWaalsContact O-N 3.08Å |
| 948 | T | 76.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 88.5 Ų | 88.5 | 28% | 0.282 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -66.3 | 137.7 | -179.2 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | I944 P945 R946 M950 V952 | I944-T948 HydrophobicContact CG2-CG2 3.97Å; P945-T948 WeakPolarHBondContact CD-OG1 3.33Å; P945-T948 WeakPolarHBondContact O-CB 3.09Å; P945-T948 PolarHBondContact O-N 3.18Å; P945-T948 PolarHBondContact O-OG1 3.15Å; R946-T948 VanDerWaalsContact C-N 3.35Å; T948-M950 PolarHBondContact O-N 3.25Å; T948-V952 HydrophobicContact CG2-CB 3.94Å; T948-V952 HydrophobicContact CG2-CG1 3.94Å |
| 949 | D | 82 | Confident | 87.8 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | trans | -53.3 | 129.6 | 174.6 | -173.3 | -43.8 | 0 | 0 | 0 | 110.5 | K951 V952 A953 | D949-K951 PolarHBondContact O-N 3.3Å; D949-K951 VanDerWaalsContact O-N 3.12Å; D949-K951 VanDerWaalsContact OD1-CB 3.26Å; D949-K951 WeakPolarHBondContact OD1-CB 3.17Å; D949-K951 PolarHBondContact OD1-N 3.4Å; D949-V952 HydrophobicContact CB-CB 4.39Å; D949-V952 HydrophobicContact CB-CG2 4.09Å; D949-V952 WeakPolarHBondContact O-CA 3.36Å; D949-V952 WeakPolarHBondContact O-CB 3.42Å; D949-V952 PolarHBondContact O-N 3.4Å; D949-A953 PolarHBondContact O-N 3.23Å | ||
| 950 | M | 82.3 | Confident | 87.8 | Confident | 91 Ų | 91 | 85.8 Ų | 85.8 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -53 | -35.4 | 179.8 | -172.4 | 60.9 | 69.7 | 0 | 0 | 112.5 | T948 V952 A953 M954 I969 T1043 | T948-M950 PolarHBondContact O-N 3.25Å; M950-V952 VanDerWaalsContact C-N 3.34Å; M950-A953 PolarHBondContact O-N 3Å; M950-M954 VanDerWaalsContact O-CG 3.32Å; M950-M954 WeakPolarHBondContact O-CG 3.36Å; M950-M954 PolarHBondContact O-N 3.43Å; M950-M954 HydrophobicContact SD-CE 3.74Å; M950-I969 HydrophobicContact CE-CD1 4.17Å; M950-I969 HydrophobicContact SD-CD1 3.84Å; M950-T1043 HydrophobicContact CG-CG2 3.77Å; M950-T1043 HydrophobicContact SD-CG2 3.85Å |
| 951 | K | 83.9 | Confident | 87.8 | Confident | 162 Ų | 162 | 80.9 Ų | 80.9 | 70% | 0.704 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.5 | -36.7 | 176.8 | -169.1 | 179.5 | -180 | -177.2 | 0 | 112 | D949 | D949-K951 PolarHBondContact O-N 3.3Å; D949-K951 VanDerWaalsContact O-N 3.12Å; D949-K951 VanDerWaalsContact OD1-CB 3.26Å; D949-K951 WeakPolarHBondContact OD1-CB 3.17Å; D949-K951 PolarHBondContact OD1-N 3.4Å |
| 952 | V | 87.4 | Confident | 87.9 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -73.3 | -42.1 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | T948 D949 M950 M954 N955 V956 | T948-V952 HydrophobicContact CG2-CB 3.94Å; T948-V952 HydrophobicContact CG2-CG1 3.94Å; D949-V952 HydrophobicContact CB-CB 4.39Å; D949-V952 HydrophobicContact CB-CG2 4.09Å; D949-V952 WeakPolarHBondContact O-CA 3.36Å; D949-V952 WeakPolarHBondContact O-CB 3.42Å; D949-V952 PolarHBondContact O-N 3.4Å; M950-V952 VanDerWaalsContact C-N 3.34Å; V952-M954 VanDerWaalsContact C-N 3.29Å; V952-M954 PolarHBondContact O-N 3.16Å; V952-N955 WeakPolarHBondContact O-CB 3.24Å; V952-N955 PolarHBondContact O-N 3.45Å; V952-N955 VanDerWaalsContact O-N 3.12Å; V952-V956 PolarHBondContact O-N 3.07Å |
| 953 | A | 88.7 | Confident | 88 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D949 M950 N955 V956 Y957 | D949-A953 PolarHBondContact O-N 3.23Å; M950-A953 PolarHBondContact O-N 3Å; A953-N955 VanDerWaalsContact C-N 3.31Å; A953-N955 PolarHBondContact O-N 3.04Å; A953-V956 PolarHBondContact O-N 2.68Å; A953-V956 VanDerWaalsContact O-N 3.12Å; A953-Y957 PolarHBondContact O-N 3.2Å |
| 954 | M | 90.6 | Very high | 88.2 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61 | -35.4 | 175.1 | -74.2 | -52.7 | 97 | 0 | 0 | 113.3 | M950 V952 V956 Y957 E958 I969 | M950-M954 VanDerWaalsContact O-CG 3.32Å; M950-M954 WeakPolarHBondContact O-CG 3.36Å; M950-M954 PolarHBondContact O-N 3.43Å; M950-M954 HydrophobicContact SD-CE 3.74Å; V952-M954 VanDerWaalsContact C-N 3.29Å; V952-M954 PolarHBondContact O-N 3.16Å; M954-V956 VanDerWaalsContact C-N 3.32Å; M954-Y957 HydrophobicContact CE-CD2 3.42Å; M954-Y957 VanDerWaalsContact CE-CD2 3.42Å; M954-Y957 HydrophobicContact CE-CE2 3.79Å; M954-Y957 HydrophobicContact CE-CG 4.45Å; M954-Y957 PolarHBondContact O-N 3.42Å; M954-Y957 HydrophobicContact SD-CD2 4.43Å; M954-E958 WeakPolarHBondContact O-CB 3.41Å; M954-E958 PolarHBondContact O-N 3.23Å; M954-I969 HydrophobicContact CE-CB 4.02Å; M954-I969 HydrophobicContact CE-CD1 3.99Å; M954-I969 HydrophobicContact CE-CG2 3.94Å; M954-I969 HydrophobicContact SD-CG2 4.03Å |
| 955 | N | 92.6 | Very high | 88.6 | Confident | 104 Ų | 104 | 69 Ų | 69 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 175.6 | -65.5 | -19.8 | 0 | 0 | 0 | 111.3 | V952 A953 E958 L959 | V952-N955 WeakPolarHBondContact O-CB 3.24Å; V952-N955 PolarHBondContact O-N 3.45Å; V952-N955 VanDerWaalsContact O-N 3.12Å; A953-N955 VanDerWaalsContact C-N 3.31Å; A953-N955 PolarHBondContact O-N 3.04Å; N955-E958 PolarHBondContact O-N 3.09Å; N955-L959 PolarHBondContact O-N 2.98Å |
| 956 | V | 94 | Very high | 89.1 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | F940 I944 V952 A953 M954 L959 S960 | F940-V956 HydrophobicContact CD1-CG1 3.61Å; F940-V956 HydrophobicContact CD1-CG2 4.37Å; F940-V956 HydrophobicContact CE1-CB 4.21Å; F940-V956 HydrophobicContact CE1-CG1 3.73Å; F940-V956 HydrophobicContact CE1-CG2 3.62Å; F940-V956 HydrophobicContact CZ-CG2 4.09Å; I944-V956 HydrophobicContact CD1-CB 3.77Å; I944-V956 HydrophobicContact CD1-CG1 3.51Å; I944-V956 HydrophobicContact CD1-CG2 4.22Å; I944-V956 HydrophobicContact CG1-CB 4.47Å; I944-V956 HydrophobicContact CG1-CG1 4.02Å; I944-V956 HydrophobicContact CG1-CG2 4.48Å; V952-V956 PolarHBondContact O-N 3.07Å; A953-V956 PolarHBondContact O-N 2.68Å; A953-V956 VanDerWaalsContact O-N 3.12Å; M954-V956 VanDerWaalsContact C-N 3.32Å; V956-L959 PolarHBondContact O-N 3.11Å; V956-S960 VanDerWaalsContact O-CB 3.31Å; V956-S960 WeakPolarHBondContact O-CB 3.47Å; V956-S960 PolarHBondContact O-N 3.47Å; V956-S960 PolarHBondContact O-OG 3.48Å |
| 957 | Y | 93.9 | Very high | 90.3 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 175.4 | -68.2 | -10.9 | 0 | 0 | 0 | 112.8 | K941 I944 A953 M954 S960 S961 C967 E968 I969 | K941-Y957 HydrophobicContact CG-CD1 4.44Å; K941-Y957 HydrophobicContact CG-CE1 4.32Å; I944-Y957 HydrophobicContact CD1-CD1 4.44Å; I944-Y957 HydrophobicContact CD1-CE1 3.95Å; A953-Y957 PolarHBondContact O-N 3.2Å; M954-Y957 HydrophobicContact CE-CD2 3.42Å; M954-Y957 VanDerWaalsContact CE-CD2 3.42Å; M954-Y957 HydrophobicContact CE-CE2 3.79Å; M954-Y957 HydrophobicContact CE-CG 4.45Å; M954-Y957 PolarHBondContact O-N 3.42Å; M954-Y957 HydrophobicContact SD-CD2 4.43Å; Y957-S960 PolarHBondContact O-N 2.96Å; Y957-S961 VanDerWaalsContact O-CB 3.26Å; Y957-S961 WeakPolarHBondContact O-CB 3.37Å; Y957-S961 PolarHBondContact O-N 3.02Å; Y957-S961 PolarHBondContact O-OG 3.42Å; Y957-C967 HydrophobicContact CD1-CB 4.3Å; Y957-C967 HydrophobicContact CD2-CB 4.26Å; Y957-C967 HydrophobicContact CG-CB 4.02Å; Y957-E968 PolarHBondContact OH-OE2 3.27Å; Y957-I969 HydrophobicContact CD2-CB 4.21Å; Y957-I969 WeakPolarHBondContact CD2-O 3.27Å; Y957-I969 HydrophobicContact CE2-CB 4.1Å; Y957-I969 HydrophobicContact CE2-CD1 4.42Å; Y957-I969 HydrophobicContact CE2-CG1 4.5Å |
| 958 | E | 95.4 | Very high | 91.3 | Very high | 87 Ų | 87 | 51.9 Ų | 51.9 | 41% | 0.407 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 174.3 | -170.9 | 177.8 | 177.4 | 0 | 0 | 110.8 | K847 M954 N955 S960 S961 A962 P971 | K847-E958 IonicContact NZ-OE1 3.44Å; K847-E958 PolarHBondContact NZ-OE1 2.93Å; M954-E958 WeakPolarHBondContact O-CB 3.41Å; M954-E958 PolarHBondContact O-N 3.23Å; N955-E958 PolarHBondContact O-N 3.09Å; E958-S960 PolarHBondContact O-N 2.97Å; E958-S961 PolarHBondContact O-OG 3.48Å; E958-S961 VanDerWaalsContact O-OG 3.12Å; E958-A962 WeakPolarHBondContact O-CB 3.36Å; E958-A962 PolarHBondContact O-N 2.91Å; E958-P971 HydrophobicContact CB-CB 4.26Å; E958-P971 HydrophobicContact CB-CG 4.4Å |
| 959 | L | 95.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 173.7 | 179.2 | 65.5 | 0 | 0 | 0 | 111.8 | V937 N955 V956 A962 A963 | V937-L959 HydrophobicContact CG1-CG 4.34Å; V937-L959 HydrophobicContact CG2-CD2 4.34Å; V937-L959 HydrophobicContact CG2-CG 4.32Å; N955-L959 PolarHBondContact O-N 2.98Å; V956-L959 PolarHBondContact O-N 3.11Å; L959-A962 PolarHBondContact O-N 3.49Å; L959-A963 PolarHBondContact O-N 3.36Å |
| 960 | S | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -47.9 | -178.4 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | V956 Y957 E958 A962 A963 G964 L965 | V956-S960 VanDerWaalsContact O-CB 3.31Å; V956-S960 WeakPolarHBondContact O-CB 3.47Å; V956-S960 PolarHBondContact O-N 3.47Å; V956-S960 PolarHBondContact O-OG 3.48Å; Y957-S960 PolarHBondContact O-N 2.96Å; E958-S960 PolarHBondContact O-N 2.97Å; S960-A962 VanDerWaalsContact C-N 3.31Å; S960-A962 PolarHBondContact O-N 2.93Å; S960-A963 CarbonylContact O-C 3.58Å; S960-A963 WeakPolarHBondContact O-CA 3.26Å; S960-A963 WeakPolarHBondContact O-CB 3.48Å; S960-A963 PolarHBondContact O-N 3.02Å; S960-G964 PolarHBondContact O-N 2.91Å; S960-L965 WeakPolarHBondContact O-CB 3.26Å; S960-L965 PolarHBondContact O-N 2.82Å |
| 961 | S | 95.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.8 | -31.2 | 178.3 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | Q919 Y957 E958 A963 G964 P971 | Q919-S961 PolarHBondContact NE2-O 3.49Å; Y957-S961 VanDerWaalsContact O-CB 3.26Å; Y957-S961 WeakPolarHBondContact O-CB 3.37Å; Y957-S961 PolarHBondContact O-N 3.02Å; Y957-S961 PolarHBondContact O-OG 3.42Å; E958-S961 PolarHBondContact O-OG 3.48Å; E958-S961 VanDerWaalsContact O-OG 3.12Å; S961-A963 PolarHBondContact O-N 3.05Å; S961-G964 PolarHBondContact O-N 3.31Å; S961-P971 WeakPolarHBondContact OG-CG 3.5Å |
| 962 | A | 95.3 | Very high | 93.8 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 28% | 0.281 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -24.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E958 L959 S960 G964 | E958-A962 WeakPolarHBondContact O-CB 3.36Å; E958-A962 PolarHBondContact O-N 2.91Å; L959-A962 PolarHBondContact O-N 3.49Å; S960-A962 VanDerWaalsContact C-N 3.31Å; S960-A962 PolarHBondContact O-N 2.93Å; A962-G964 VanDerWaalsContact C-N 3.35Å |
| 963 | A | 95.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 10.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L926 V937 L959 S960 S961 L965 | L926-A963 HydrophobicContact CD1-CB 4.36Å; V937-A963 HydrophobicContact CG1-CB 4.35Å; L959-A963 PolarHBondContact O-N 3.36Å; S960-A963 CarbonylContact O-C 3.58Å; S960-A963 WeakPolarHBondContact O-CA 3.26Å; S960-A963 WeakPolarHBondContact O-CB 3.48Å; S960-A963 PolarHBondContact O-N 3.02Å; S961-A963 PolarHBondContact O-N 3.05Å; A963-L965 VanDerWaalsContact C-N 3.31Å; A963-L965 HydrophobicContact CB-CD1 4.3Å; A963-L965 PolarHBondContact O-N 3.45Å |
| 964 | G | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 0.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q919 S960 S961 A962 | Q919-G964 WeakPolarHBondContact O-CA 3.21Å; S960-G964 PolarHBondContact O-N 2.91Å; S961-G964 PolarHBondContact O-N 3.31Å; A962-G964 VanDerWaalsContact C-N 3.35Å |
| 965 | L | 96.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | trans | -70.6 | 135 | -176.7 | -73.8 | 149.5 | 0 | 0 | 0 | 111.9 | V937 E938 K941 S960 A963 C967 | V937-L965 HydrophobicContact CB-CD1 4.33Å; V937-L965 HydrophobicContact CG1-CD1 3.6Å; E938-L965 HydrophobicContact CG-CD1 3.92Å; E938-L965 HydrophobicContact CG-CD2 3.53Å; E938-L965 HydrophobicContact CG-CG 4.31Å; K941-L965 HydrophobicContact CD-CB 4.5Å; S960-L965 WeakPolarHBondContact O-CB 3.26Å; S960-L965 PolarHBondContact O-N 2.82Å; A963-L965 VanDerWaalsContact C-N 3.31Å; A963-L965 HydrophobicContact CB-CD1 4.3Å; A963-L965 PolarHBondContact O-N 3.45Å; L965-C967 PolarHBondContact O-N 2.9Å | ||
| 966 | P | 94.8 | Very high | 94.7 | Very high | 90 Ų | 90 | 31.1 Ų | 31.1 | 58% | 0.584 | 18% | 0.182 | S | C | * | . | trans | -68 | 131.1 | 174.6 | 29.2 | -33.3 | 0 | 0 | 0 | 109.6 | K941 | K941-P966 WeakPolarHBondContact CE-O 3.23Š| ||
| 967 | C | 93.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 30.9 Ų | 30.9 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | trans | -114.3 | 143.5 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | Y957 L965 I969 | Y957-C967 HydrophobicContact CD1-CB 4.3Å; Y957-C967 HydrophobicContact CD2-CB 4.26Å; Y957-C967 HydrophobicContact CG-CB 4.02Å; L965-C967 PolarHBondContact O-N 2.9Å; C967-I969 WeakPolarHBondContact CB-O 3.46Å; C967-I969 PolarHBondContact O-N 3.26Å | ||
| 968 | E | 91.4 | Very high | 94.4 | Very high | 72 Ų | 72 | 31.2 Ų | 31.2 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -63.3 | -32.4 | 178.1 | -62.7 | 74.9 | -168.6 | 0 | 0 | 111 | K941 Y957 P1094 F1095 | K941-E968 IonicContact NZ-OE1 3.54Å; K941-E968 PolarHBondContact NZ-OE1 3.29Å; K941-E968 IonicContact NZ-OE2 2.61Å; K941-E968 PolarHBondContact NZ-OE2 3.48Å; Y957-E968 PolarHBondContact OH-OE2 3.27Å; E968-P1094 HydrophobicContact CG-CG 4.45Å; E968-F1095 HydrophobicContact CB-CZ 4.38Å |
| 969 | I | 93.3 | Very high | 93.6 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 5% | 0.046 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -122.4 | 120.8 | 171.5 | -58.3 | 163.5 | 0 | 0 | 0 | 107 | M950 M954 Y957 C967 P971 V974 A1039 T1043 I1049 | M950-I969 HydrophobicContact CE-CD1 4.17Å; M950-I969 HydrophobicContact SD-CD1 3.84Å; M954-I969 HydrophobicContact CE-CB 4.02Å; M954-I969 HydrophobicContact CE-CD1 3.99Å; M954-I969 HydrophobicContact CE-CG2 3.94Å; M954-I969 HydrophobicContact SD-CG2 4.03Å; Y957-I969 HydrophobicContact CD2-CB 4.21Å; Y957-I969 WeakPolarHBondContact CD2-O 3.27Å; Y957-I969 HydrophobicContact CE2-CB 4.1Å; Y957-I969 HydrophobicContact CE2-CD1 4.42Å; Y957-I969 HydrophobicContact CE2-CG1 4.5Å; C967-I969 WeakPolarHBondContact CB-O 3.46Å; C967-I969 PolarHBondContact O-N 3.26Å; I969-P971 VanDerWaalsContact O-CD 3.29Å; I969-P971 WeakPolarHBondContact O-CD 3.3Å; I969-V974 HydrophobicContact CG2-CG2 3.63Å; I969-A1039 HydrophobicContact CG1-CB 4.5Å; I969-T1043 HydrophobicContact CD1-CG2 4.31Å; I969-T1043 WeakPolarHBondContact CD1-OG1 3.46Å; I969-T1043 HydrophobicContact CG2-CG2 4.32Å; I969-I1049 HydrophobicContact CD1-CD1 4.07Å; I969-I1049 HydrophobicContact CG1-CD1 4.15Å |
| 970 | D | 95.8 | Very high | 92.3 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | trans | -75.2 | 113.3 | 178.2 | -171.4 | -28 | 0 | 0 | 0 | 111.2 | R915 A972 L973 V974 | R915-D970 IonicContact CZ-OD1 3.13Å; R915-D970 IonicContact CZ-OD2 2.77Å; R915-D970 VanDerWaalsContact CZ-OD2 3.31Å; R915-D970 IonicContact NE-OD1 2.75Å; R915-D970 IonicContact NE-OD2 3.5Å; R915-D970 PolarHBondContact NE-OD2 3.36Å; R915-D970 VanDerWaalsContact NH2-CG 3.32Å; R915-D970 IonicContact NH2-OD1 3.05Å; R915-D970 PolarHBondContact NH2-OD1 3.28Å; R915-D970 IonicContact NH2-OD2 3.36Å; R915-D970 PolarHBondContact NH2-OD2 2.81Å; D970-A972 VanDerWaalsContact C-N 3.34Å; D970-A972 PolarHBondContact O-N 3.33Å; D970-A972 WeakPolarHBondContact OD1-CB 3.37Å; D970-A972 PolarHBondContact OD1-N 3.41Å; D970-L973 HydrophobicContact CB-CB 3.86Å; D970-L973 PolarHBondContact O-N 2.7Å; D970-L973 PolarHBondContact OD1-N 3.07Å; D970-V974 WeakPolarHBondContact O-CG2 3.48Å; D970-V974 PolarHBondContact O-N 3.01Å | ||
| 971 | P | 94.5 | Very high | 90.9 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.2 | -36 | -176.9 | 28.3 | -35.9 | 0 | 0 | 0 | 112.1 | E958 S961 I969 L973 V974 V975 | E958-P971 HydrophobicContact CB-CB 4.26Å; E958-P971 HydrophobicContact CB-CG 4.4Å; S961-P971 WeakPolarHBondContact OG-CG 3.5Å; I969-P971 VanDerWaalsContact O-CD 3.29Å; I969-P971 WeakPolarHBondContact O-CD 3.3Å; P971-L973 VanDerWaalsContact C-N 3.34Å; P971-L973 PolarHBondContact O-N 3.34Å; P971-V974 PolarHBondContact O-N 2.86Å; P971-V975 VanDerWaalsContact O-CG2 3.32Å; P971-V975 WeakPolarHBondContact O-CG2 3.4Å; P971-V975 PolarHBondContact O-N 2.85Å |
| 972 | A | 94.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 37 Ų | 37 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M854 D970 V975 A976 | M854-A972 HydrophobicContact CG-CB 3.82Å; D970-A972 VanDerWaalsContact C-N 3.34Å; D970-A972 PolarHBondContact O-N 3.33Å; D970-A972 WeakPolarHBondContact OD1-CB 3.37Å; D970-A972 PolarHBondContact OD1-N 3.41Å; A972-V975 PolarHBondContact O-N 2.91Å; A972-A976 WeakPolarHBondContact O-CB 3.27Å; A972-A976 PolarHBondContact O-N 3.46Å |
| 973 | L | 95.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -42.6 | 175 | -174.6 | 59.3 | 0 | 0 | 0 | 111.6 | M854 I857 L912 D970 P971 V975 A976 L977 Q1036 I1037 A1040 | M854-L973 HydrophobicContact SD-CB 3.73Å; M854-L973 HydrophobicContact SD-CD1 3.83Å; M854-L973 HydrophobicContact SD-CG 4.34Å; I857-L973 HydrophobicContact CB-CD1 4.36Å; I857-L973 HydrophobicContact CD1-CD1 4.4Å; I857-L973 HydrophobicContact CG2-CD1 3.64Å; L912-L973 HydrophobicContact CD2-CD2 4.49Å; D970-L973 HydrophobicContact CB-CB 3.86Å; D970-L973 PolarHBondContact O-N 2.7Å; D970-L973 PolarHBondContact OD1-N 3.07Å; P971-L973 VanDerWaalsContact C-N 3.34Å; P971-L973 PolarHBondContact O-N 3.34Å; L973-V975 VanDerWaalsContact C-N 3.34Å; L973-V975 PolarHBondContact O-N 3.29Å; L973-A976 PolarHBondContact O-N 3.21Å; L973-L977 HydrophobicContact CD1-CD1 3.94Å; L973-L977 HydrophobicContact CD1-CD2 4.45Å; L973-L977 HydrophobicContact CD1-CG 3.95Å; L973-L977 HydrophobicContact CG-CD1 4.03Å; L973-L977 HydrophobicContact CG-CG 4.34Å; L973-L977 WeakPolarHBondContact O-CB 3.36Å; L973-L977 WeakPolarHBondContact O-CG 3.24Å; L973-L977 PolarHBondContact O-N 3.49Å; L973-Q1036 HydrophobicContact CD2-CB 4.07Å; L973-I1037 HydrophobicContact CD1-CD1 4.42Å; L973-I1037 HydrophobicContact CD2-CD1 4.28Å; L973-A1040 HydrophobicContact CB-CB 4.45Å; L973-A1040 HydrophobicContact CD2-CB 3.85Å; L973-A1040 HydrophobicContact CG-CB 3.83Å |
| 974 | V | 94.8 | Very high | 85.7 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 175.3 | 167.4 | 0 | 0 | 0 | 0 | 111 | I969 D970 P971 L977 S978 A1040 I1044 | I969-V974 HydrophobicContact CG2-CG2 3.63Å; D970-V974 WeakPolarHBondContact O-CG2 3.48Å; D970-V974 PolarHBondContact O-N 3.01Å; P971-V974 PolarHBondContact O-N 2.86Å; V974-L977 PolarHBondContact O-N 3.48Å; V974-S978 VanDerWaalsContact O-CB 3.25Å; V974-S978 WeakPolarHBondContact O-CB 3.42Å; V974-S978 PolarHBondContact O-N 3.47Å; V974-S978 PolarHBondContact O-OG 2.92Å; V974-A1040 HydrophobicContact CG2-CB 3.95Å; V974-I1044 HydrophobicContact CG1-CD1 4.49Å; V974-I1044 HydrophobicContact CG1-CG1 3.94Å |
| 975 | V | 93.7 | Very high | 84.8 | Confident | 99 Ų | 99 | 55 Ų | 55 | 60% | 0.6 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | P971 A972 L973 L977 S978 S979 | P971-V975 VanDerWaalsContact O-CG2 3.32Å; P971-V975 WeakPolarHBondContact O-CG2 3.4Å; P971-V975 PolarHBondContact O-N 2.85Å; A972-V975 PolarHBondContact O-N 2.91Å; L973-V975 VanDerWaalsContact C-N 3.34Å; L973-V975 PolarHBondContact O-N 3.29Å; V975-L977 VanDerWaalsContact C-N 3.34Å; V975-L977 PolarHBondContact O-N 3.06Å; V975-S978 PolarHBondContact O-N 3.09Å; V975-S979 PolarHBondContact O-N 3.22Å |
| 976 | A | 94.3 | Very high | 84.2 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -31.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | M854 S858 A972 L973 S979 | M854-A976 HydrophobicContact CB-CB 3.61Å; S858-A976 VanDerWaalsContact OG-CB 3.32Å; S858-A976 WeakPolarHBondContact OG-CB 3.41Å; S858-A976 PolarHBondContact OG-O 3.29Å; A972-A976 WeakPolarHBondContact O-CB 3.27Å; A972-A976 PolarHBondContact O-N 3.46Å; L973-A976 PolarHBondContact O-N 3.21Å; A976-S979 PolarHBondContact O-OG 3.23Å |
| 977 | L | 93.6 | Very high | 83.7 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -85.2 | -23.8 | 175.9 | -63.3 | -175.5 | 0 | 0 | 0 | 112.7 | V861 L973 V974 V975 S979 Q980 I1037 A1040 L1041 I1044 | V861-L977 HydrophobicContact CB-CD2 3.79Å; V861-L977 HydrophobicContact CG1-CD2 3.94Å; V861-L977 HydrophobicContact CG2-CD2 3.76Å; L973-L977 HydrophobicContact CD1-CD1 3.94Å; L973-L977 HydrophobicContact CD1-CD2 4.45Å; L973-L977 HydrophobicContact CD1-CG 3.95Å; L973-L977 HydrophobicContact CG-CD1 4.03Å; L973-L977 HydrophobicContact CG-CG 4.34Å; L973-L977 WeakPolarHBondContact O-CB 3.36Å; L973-L977 WeakPolarHBondContact O-CG 3.24Å; L973-L977 PolarHBondContact O-N 3.49Å; V974-L977 PolarHBondContact O-N 3.48Å; V975-L977 VanDerWaalsContact C-N 3.34Å; V975-L977 PolarHBondContact O-N 3.06Å; L977-S979 VanDerWaalsContact C-N 3.33Å; L977-Q980 PolarHBondContact O-N 3.02Å; L977-I1037 HydrophobicContact CD1-CD1 4.15Å; L977-A1040 HydrophobicContact CD1-CB 4.03Å; L977-L1041 HydrophobicContact CD1-CD2 4Å; L977-L1041 HydrophobicContact CD1-CG 4.3Å; L977-I1044 HydrophobicContact CB-CD1 3.67Å |
| 978 | S | 88.3 | Confident | 83.4 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69 | -31.6 | 175.4 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | V974 V975 Q980 K981 I1044 | V974-S978 VanDerWaalsContact O-CB 3.25Å; V974-S978 WeakPolarHBondContact O-CB 3.42Å; V974-S978 PolarHBondContact O-N 3.47Å; V974-S978 PolarHBondContact O-OG 2.92Å; V975-S978 PolarHBondContact O-N 3.09Å; S978-Q980 PolarHBondContact O-N 3.35Å; S978-K981 WeakPolarHBondContact O-CG 3.24Å; S978-K981 PolarHBondContact O-N 3.31Å; S978-I1044 WeakPolarHBondContact OG-CG1 3.31Å |
| 979 | S | 76.8 | Confident | 83.2 | Confident | 97 Ų | 97 | 64.8 Ų | 64.8 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.7 | 176.6 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | V975 A976 L977 | V975-S979 PolarHBondContact O-N 3.22Å; A976-S979 PolarHBondContact O-OG 3.23Å; L977-S979 VanDerWaalsContact C-N 3.33Å |
| 980 | Q | 69.8 | Low | 83 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 24% | 0.243 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 11.6 | 175.6 | -60.1 | -158.1 | -32.9 | 0 | 0 | 114.3 | S858 L977 S978 S982 | S858-Q980 VanDerWaalsContact O-CD 3.3Å; S858-Q980 PolarHBondContact O-NE2 3.27Å; S858-Q980 PolarHBondContact O-OE1 3.37Å; L977-Q980 PolarHBondContact O-N 3.02Å; S978-Q980 PolarHBondContact O-N 3.35Å; Q980-S982 PolarHBondContact O-N 3.44Å |
| 981 | K | 65.7 | Low | 82.9 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | trans | -62.8 | 120.3 | 171.6 | -77.8 | -173.9 | 172.3 | 179.7 | 0 | 109.3 | S978 E990 | S978-K981 WeakPolarHBondContact O-CG 3.24Å; S978-K981 PolarHBondContact O-N 3.31Å; K981-E990 WeakPolarHBondContact CA-OE1 3.28Å | ||
| 982 | S | 60.8 | Low | 82.9 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 34% | 0.343 | 38% | 0.381 | S | S | . | . | trans | -83.4 | 120.3 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 108 | Q980 N984 I985 E990 | Q980-S982 PolarHBondContact O-N 3.44Å; S982-N984 PolarHBondContact O-N 3.47Å; S982-I985 PolarHBondContact O-N 2.89Å; S982-I985 VanDerWaalsContact O-N 3.09Å; S982-E990 PolarHBondContact N-OE1 3.07Å | ||
| 983 | E | 57.8 | Low | 82.9 | Confident | 201 Ų | 201 | 69.6 Ų | 69.6 | 94% | 0.939 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -17.2 | 177.1 | -68.7 | -173.6 | 162.3 | 0 | 0 | 113 | ||
| 984 | N | 60.3 | Low | 82.9 | Confident | 156 Ų | 156 | 69.8 Ų | 69.8 | 83% | 0.834 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.6 | -177.3 | -65.8 | -33.1 | 0 | 0 | 0 | 115 | S982 | S982-N984 PolarHBondContact O-N 3.47Š|
| 985 | I | 75.3 | Confident | 82.9 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 36% | 0.359 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -114.7 | 134.7 | -179 | -57.7 | 177.3 | 0 | 0 | 0 | 109.2 | S982 E989 E990 | S982-I985 PolarHBondContact O-N 2.89Å; S982-I985 VanDerWaalsContact O-N 3.09Å; I985-E989 HydrophobicContact CG2-CB 3.72Å; I985-E989 HydrophobicContact CG2-CG 4.02Å; I985-E990 HydrophobicContact CB-CG 4.19Å; I985-E990 HydrophobicContact CG2-CG 3.71Å |
| 986 | S | 83.4 | Confident | 83.1 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | trans | -68.3 | 149.9 | -179.5 | 78.5 | 0 | 0 | 0 | 0 | 111.3 | E988 E989 E990 | S986-E988 PolarHBondContact O-N 3.18Å; S986-E989 PolarHBondContact O-N 3.37Å; S986-E989 WeakPolarHBondContact OG-CB 3.33Å; S986-E989 PolarHBondContact OG-N 2.9Å; S986-E990 PolarHBondContact O-N 2.91Å | ||
| 987 | P | 84.4 | Confident | 83.2 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 69% | 0.688 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.6 | -33.1 | 177.5 | -26.9 | 34.9 | 0 | 0 | 0 | 114.1 | Y991 | P987-Y991 PolarHBondContact O-N 3.45Å; P987-Y991 VanDerWaalsContact O-N 3.15Å |
| 988 | E | 87 | Confident | 83.4 | Confident | 164 Ų | 164 | 64 Ų | 64 | 77% | 0.766 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -70.9 | -37 | 175.4 | -74.2 | -170.3 | 155 | 0 | 0 | 112.4 | S986 Y991 K992 | S986-E988 PolarHBondContact O-N 3.18Å; E988-Y991 PolarHBondContact O-N 2.89Å; E988-K992 WeakPolarHBondContact O-CB 3.45Å; E988-K992 PolarHBondContact O-N 3.45Å |
| 989 | E | 88.5 | Confident | 83.9 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 29% | 0.29 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 178.2 | -162.8 | 68.6 | -151.8 | 0 | 0 | 110.8 | M872 I985 S986 K992 I993 | M872-E989 WeakPolarHBondContact CE-OE1 3.27Å; I985-E989 HydrophobicContact CG2-CB 3.72Å; I985-E989 HydrophobicContact CG2-CG 4.02Å; S986-E989 PolarHBondContact O-N 3.37Å; S986-E989 WeakPolarHBondContact OG-CB 3.33Å; S986-E989 PolarHBondContact OG-N 2.9Å; E989-K992 WeakPolarHBondContact O-CB 3.48Å; E989-K992 PolarHBondContact O-N 3.34Å; E989-K992 IonicContact OE1-NZ 2.95Å; E989-K992 PolarHBondContact OE1-NZ 3.5Å; E989-I993 VanDerWaalsContact O-CG1 3.27Å; E989-I993 WeakPolarHBondContact O-CG1 3.24Å; E989-I993 PolarHBondContact O-N 2.95Å |
| 990 | E | 89.1 | Confident | 84.9 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 172.5 | -66.4 | -165.3 | 144.9 | 0 | 0 | 112.2 | K981 S982 I985 S986 K992 I993 A994 H1045 | K981-E990 WeakPolarHBondContact CA-OE1 3.28Å; S982-E990 PolarHBondContact N-OE1 3.07Å; I985-E990 HydrophobicContact CB-CG 4.19Å; I985-E990 HydrophobicContact CG2-CG 3.71Å; S986-E990 PolarHBondContact O-N 2.91Å; E990-K992 VanDerWaalsContact C-N 3.32Å; E990-K992 PolarHBondContact O-N 3.01Å; E990-I993 PolarHBondContact O-N 3.35Å; E990-A994 PolarHBondContact O-N 3.48Å; E990-H1045 WeakPolarHBondContact CB-NE2 3.44Å; E990-H1045 IonicContact OE2-NE2 3.46Å |
| 991 | Y | 93.1 | Very high | 86.2 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 174.4 | 179.9 | -107.1 | 0 | 0 | 0 | 112.1 | P987 E988 A994 C995 F1042 H1045 R1052 | P987-Y991 PolarHBondContact O-N 3.45Å; P987-Y991 VanDerWaalsContact O-N 3.15Å; E988-Y991 PolarHBondContact O-N 2.89Å; Y991-A994 PolarHBondContact O-N 3.08Å; Y991-C995 PolarHBondContact O-N 3.19Å; Y991-C995 PolarHBondContact O-SG 3.01Å; Y991-F1042 HydrophobicContact CD2-CD1 4.22Å; Y991-F1042 HydrophobicContact CD2-CE1 4.45Å; Y991-F1042 AromaticContact CE2-CD1 3.7Å; Y991-F1042 HydrophobicContact CE2-CD1 3.7Å; Y991-F1042 HydrophobicContact CE2-CE1 4.03Å; Y991-H1045 HydrophobicContact CD2-CB 3.61Å; Y991-H1045 HydrophobicContact CE2-CB 4.48Å; Y991-H1045 HydrophobicContact CG-CB 4.4Å; Y991-R1052 PolarHBondContact OH-NH1 3.05Å |
| 992 | K | 94.2 | Very high | 87.6 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 30% | 0.296 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 176.3 | -178.2 | -176 | 170.1 | -160.7 | 0 | 111.4 | M872 E988 E989 E990 A994 C995 L996 | M872-K992 HydrophobicContact SD-CD 4.32Å; E988-K992 WeakPolarHBondContact O-CB 3.45Å; E988-K992 PolarHBondContact O-N 3.45Å; E989-K992 WeakPolarHBondContact O-CB 3.48Å; E989-K992 PolarHBondContact O-N 3.34Å; E989-K992 IonicContact OE1-NZ 2.95Å; E989-K992 PolarHBondContact OE1-NZ 3.5Å; E990-K992 VanDerWaalsContact C-N 3.32Å; E990-K992 PolarHBondContact O-N 3.01Å; K992-A994 VanDerWaalsContact C-N 3.3Å; K992-A994 PolarHBondContact O-N 3.01Å; K992-C995 WeakPolarHBondContact O-CB 3.17Å; K992-C995 PolarHBondContact O-N 2.96Å; K992-C995 VanDerWaalsContact O-N 3.16Å; K992-L996 HydrophobicContact CG-CD1 4.09Å; K992-L996 HydrophobicContact CG-CG 4.36Å; K992-L996 WeakPolarHBondContact O-CG 3.39Å; K992-L996 PolarHBondContact O-N 3.35Å |
| 993 | I | 94.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -44.2 | 175.2 | -68.4 | 164 | 0 | 0 | 0 | 110.4 | K865 V868 V869 M872 E989 E990 C995 L996 L997 | K865-I993 HydrophobicContact CB-CG2 4.11Å; K865-I993 HydrophobicContact CG-CG2 3.87Å; V868-I993 HydrophobicContact CB-CG2 4.18Å; V868-I993 HydrophobicContact CG1-CB 4.43Å; V868-I993 HydrophobicContact CG1-CG2 3.93Å; V869-I993 HydrophobicContact CG2-CD1 3.79Å; V869-I993 HydrophobicContact CG2-CG1 4.15Å; M872-I993 HydrophobicContact CE-CG1 4.12Å; M872-I993 HydrophobicContact SD-CG1 4.46Å; E989-I993 VanDerWaalsContact O-CG1 3.27Å; E989-I993 WeakPolarHBondContact O-CG1 3.24Å; E989-I993 PolarHBondContact O-N 2.95Å; E990-I993 PolarHBondContact O-N 3.35Å; I993-C995 PolarHBondContact O-N 3.1Å; I993-L996 PolarHBondContact O-N 2.99Å; I993-L997 WeakPolarHBondContact O-CB 3.43Å; I993-L997 PolarHBondContact O-N 3.46Å |
| 994 | A | 94.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E990 Y991 K992 L1041 F1042 | E990-A994 PolarHBondContact O-N 3.48Å; Y991-A994 PolarHBondContact O-N 3.08Å; K992-A994 VanDerWaalsContact C-N 3.3Å; K992-A994 PolarHBondContact O-N 3.01Å; A994-L1041 HydrophobicContact CB-CB 4.12Å; A994-L1041 HydrophobicContact CB-CD1 4.05Å; A994-F1042 HydrophobicContact CB-CD1 4.49Å; A994-F1042 HydrophobicContact CB-CE1 3.82Å; A994-F1042 HydrophobicContact CB-CZ 4.25Å |
| 995 | C | 96.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 174.5 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | R879 Y991 K992 I993 L997 M998 V999 | R879-C995 VanDerWaalsContact NH1-CB 3.29Å; Y991-C995 PolarHBondContact O-N 3.19Å; Y991-C995 PolarHBondContact O-SG 3.01Å; K992-C995 WeakPolarHBondContact O-CB 3.17Å; K992-C995 PolarHBondContact O-N 2.96Å; K992-C995 VanDerWaalsContact O-N 3.16Å; I993-C995 PolarHBondContact O-N 3.1Å; C995-L997 VanDerWaalsContact C-N 3.29Å; C995-L997 PolarHBondContact O-N 2.94Å; C995-M998 WeakPolarHBondContact O-CB 3.32Å; C995-M998 PolarHBondContact O-N 3.49Å; C995-V999 PolarHBondContact O-N 3.34Å |
| 996 | L | 97.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.4 | -26.1 | -178.2 | -65.8 | -179.1 | 0 | 0 | 0 | 112.5 | V868 M872 L875 K992 I993 M998 V999 F1000 | V868-L996 HydrophobicContact CG1-CB 3.64Å; M872-L996 HydrophobicContact CG-CD1 4.04Å; M872-L996 HydrophobicContact SD-CD1 3.49Å; M872-L996 WeakPolarHBondContact SD-CD1 3.48Å; L875-L996 HydrophobicContact CB-CB 4.21Å; L875-L996 HydrophobicContact CB-CD1 4.3Å; L875-L996 HydrophobicContact CB-CD2 3.95Å; L875-L996 HydrophobicContact CB-CG 4.38Å; L875-L996 HydrophobicContact CD1-CB 4.27Å; K992-L996 HydrophobicContact CG-CD1 4.09Å; K992-L996 HydrophobicContact CG-CG 4.36Å; K992-L996 WeakPolarHBondContact O-CG 3.39Å; K992-L996 PolarHBondContact O-N 3.35Å; I993-L996 PolarHBondContact O-N 2.99Å; L996-M998 VanDerWaalsContact C-N 3.33Å; L996-V999 WeakPolarHBondContact O-CB 3.36Å; L996-V999 PolarHBondContact O-N 3.19Å; L996-F1000 WeakPolarHBondContact O-CB 3.29Å; L996-F1000 PolarHBondContact O-N 2.82Å |
| 997 | L | 97.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -45 | 169 | -179.5 | 59.5 | 0 | 0 | 0 | 111.1 | L864 V868 I993 C995 V999 F1000 V1001 I1037 L1041 | L864-L997 HydrophobicContact CB-CD1 4.09Å; L864-L997 HydrophobicContact CD2-CD1 4.33Å; V868-L997 HydrophobicContact CG2-CB 3.91Å; V868-L997 HydrophobicContact CG2-CD1 3.83Å; V868-L997 HydrophobicContact CG2-CG 4.48Å; I993-L997 WeakPolarHBondContact O-CB 3.43Å; I993-L997 PolarHBondContact O-N 3.46Å; C995-L997 VanDerWaalsContact C-N 3.29Å; C995-L997 PolarHBondContact O-N 2.94Å; L997-V999 VanDerWaalsContact C-N 3.33Å; L997-V999 PolarHBondContact O-N 3.38Å; L997-F1000 PolarHBondContact O-N 3.41Å; L997-V1001 HydrophobicContact CD1-CG2 4.27Å; L997-V1001 WeakPolarHBondContact O-CG2 3.35Å; L997-V1001 PolarHBondContact O-N 3.47Å; L997-I1037 HydrophobicContact CD2-CG2 4.3Å; L997-L1041 HydrophobicContact CD2-CD1 4.13Å |
| 998 | M | 97.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 3% | 0.034 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 176.8 | -61.1 | -56.4 | 144 | 0 | 0 | 111.2 | C995 L996 F1000 V1001 A1002 I1037 A1038 F1042 F1056 | C995-M998 WeakPolarHBondContact O-CB 3.32Å; C995-M998 PolarHBondContact O-N 3.49Å; L996-M998 VanDerWaalsContact C-N 3.33Å; M998-F1000 VanDerWaalsContact C-N 3.34Å; M998-F1000 PolarHBondContact O-N 3.44Å; M998-V1001 PolarHBondContact O-N 2.81Å; M998-A1002 VanDerWaalsContact O-CB 3.31Å; M998-A1002 WeakPolarHBondContact O-CB 3.43Å; M998-A1002 PolarHBondContact O-N 3.15Å; M998-I1037 HydrophobicContact CE-CG2 4.1Å; M998-A1038 HydrophobicContact CE-CB 3.86Å; M998-A1038 HydrophobicContact SD-CB 4.13Å; M998-F1042 HydrophobicContact CE-CE2 4.23Å; M998-F1042 HydrophobicContact CG-CE2 3.93Å; M998-F1042 HydrophobicContact CG-CZ 3.98Å; M998-F1056 HydrophobicContact CB-CB 4.43Å; M998-F1056 HydrophobicContact CB-CD2 4.12Å; M998-F1056 VanDerWaalsContact O-CD2 3.28Å; M998-F1056 WeakPolarHBondContact O-CD2 3.42Å; M998-F1056 HydrophobicContact SD-CD2 4.47Å |
| 999 | V | 97.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 14.9 Ų | 14.9 | 2% | 0.024 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | L875 M878 R879 C995 L996 L997 V1001 A1002 V1003 L1059 | L875-V999 HydrophobicContact CD2-CG1 4.25Å; M878-V999 HydrophobicContact CB-CG1 4.37Å; R879-V999 HydrophobicContact CB-CG1 4.46Å; R879-V999 HydrophobicContact CB-CG2 4Å; R879-V999 HydrophobicContact CG-CG2 3.82Å; C995-V999 PolarHBondContact O-N 3.34Å; L996-V999 WeakPolarHBondContact O-CB 3.36Å; L996-V999 PolarHBondContact O-N 3.19Å; L997-V999 VanDerWaalsContact C-N 3.33Å; L997-V999 PolarHBondContact O-N 3.38Å; V999-V1001 PolarHBondContact O-N 3.19Å; V999-A1002 PolarHBondContact O-N 2.81Å; V999-V1003 WeakPolarHBondContact O-CG2 3.38Å; V999-V1003 PolarHBondContact O-N 3.43Å; V999-V1003 VanDerWaalsContact O-N 3.12Å; V999-L1059 HydrophobicContact CB-CD2 4.21Å; V999-L1059 HydrophobicContact CG1-CD2 3.83Å; V999-L1059 HydrophobicContact CG2-CD2 4.29Å |
| 1000 | F | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | -177.8 | -156 | 166.9 | 0 | 0 | 0 | 111 | L867 V868 N871 L875 L895 T896 V898 V901 L996 L997 M998 V1003 S1004 | L867-F1000 HydrophobicContact CB-CE1 4.24Å; V868-F1000 HydrophobicContact CG2-CD1 4.09Å; N871-F1000 HydrophobicContact CB-CE1 4.08Å; N871-F1000 HydrophobicContact CB-CZ 4.3Å; L875-F1000 HydrophobicContact CD1-CB 4.03Å; L875-F1000 HydrophobicContact CD1-CD1 3.62Å; L875-F1000 HydrophobicContact CD1-CE1 4.2Å; L875-F1000 HydrophobicContact CD1-CG 3.95Å; L875-F1000 HydrophobicContact CD2-CB 3.68Å; L875-F1000 HydrophobicContact CD2-CD1 4.24Å; L875-F1000 HydrophobicContact CD2-CD2 3.99Å; L875-F1000 HydrophobicContact CD2-CG 3.73Å; L875-F1000 HydrophobicContact CG-CG 4.47Å; L895-F1000 HydrophobicContact CB-CE2 4.29Å; L895-F1000 HydrophobicContact CD1-CD2 4.21Å; L895-F1000 HydrophobicContact CD1-CE2 3.96Å; L895-F1000 HydrophobicContact CD2-CE2 4.18Å; L895-F1000 HydrophobicContact CD2-CZ 4.42Å; L895-F1000 HydrophobicContact CG-CE2 4.38Å; T896-F1000 WeakPolarHBondContact O-CZ 3.25Å; V898-F1000 HydrophobicContact CG2-CE2 4.13Å; V901-F1000 HydrophobicContact CG1-CG 4.42Å; V901-F1000 HydrophobicContact CG2-CD1 3.83Å; V901-F1000 HydrophobicContact CG2-CD2 4.26Å; V901-F1000 HydrophobicContact CG2-CE1 3.59Å; V901-F1000 HydrophobicContact CG2-CE2 4.03Å; V901-F1000 HydrophobicContact CG2-CG 4.19Å; V901-F1000 HydrophobicContact CG2-CZ 3.7Å; L996-F1000 WeakPolarHBondContact O-CB 3.29Å; L996-F1000 PolarHBondContact O-N 2.82Å; L997-F1000 PolarHBondContact O-N 3.41Å; M998-F1000 VanDerWaalsContact C-N 3.34Å; M998-F1000 PolarHBondContact O-N 3.44Å; F1000-V1003 WeakPolarHBondContact O-CG2 3.45Å; F1000-S1004 VanDerWaalsContact O-CB 3.26Å; F1000-S1004 WeakPolarHBondContact O-CB 3.4Å; F1000-S1004 PolarHBondContact O-N 3.34Å; F1000-S1004 PolarHBondContact O-OG 3.32Å |
| 1001 | V | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | V901 M905 L997 M998 V999 V1003 S1004 L1005 I1034 F1056 | V901-V1001 HydrophobicContact CG1-CG2 3.87Å; M905-V1001 HydrophobicContact CE-CG2 4.39Å; M905-V1001 HydrophobicContact CG-CG2 3.83Å; M905-V1001 HydrophobicContact SD-CG2 4.37Å; L997-V1001 HydrophobicContact CD1-CG2 4.27Å; L997-V1001 WeakPolarHBondContact O-CG2 3.35Å; L997-V1001 PolarHBondContact O-N 3.47Å; M998-V1001 PolarHBondContact O-N 2.81Å; V999-V1001 PolarHBondContact O-N 3.19Å; V1001-V1003 PolarHBondContact O-N 3.38Å; V1001-S1004 PolarHBondContact O-N 3.37Å; V1001-S1004 VanDerWaalsContact O-N 3.11Å; V1001-L1005 HydrophobicContact CG1-CD2 4.39Å; V1001-L1005 WeakPolarHBondContact O-CG 3.27Å; V1001-L1005 PolarHBondContact O-N 3.26Å; V1001-I1034 HydrophobicContact CG1-CD1 4.1Å; V1001-I1034 HydrophobicContact CG1-CG1 4.11Å; V1001-F1056 HydrophobicContact CB-CE2 4.01Å; V1001-F1056 HydrophobicContact CG1-CE2 3.86Å; V1001-F1056 HydrophobicContact CG1-CZ 4.24Å |
| 1002 | A | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | M998 V999 S1004 F1056 L1059 A1060 | M998-A1002 VanDerWaalsContact O-CB 3.31Å; M998-A1002 WeakPolarHBondContact O-CB 3.43Å; M998-A1002 PolarHBondContact O-N 3.15Å; V999-A1002 PolarHBondContact O-N 2.81Å; A1002-S1004 VanDerWaalsContact C-N 3.26Å; A1002-S1004 PolarHBondContact O-N 2.94Å; A1002-F1056 HydrophobicContact CB-CD2 3.74Å; A1002-F1056 HydrophobicContact CB-CE2 3.68Å; A1002-F1056 HydrophobicContact CB-CG 4.46Å; A1002-F1056 HydrophobicContact CB-CZ 4.35Å; A1002-L1059 HydrophobicContact CB-CB 4.05Å; A1002-L1059 HydrophobicContact CB-CD2 3.98Å; A1002-L1059 HydrophobicContact CB-CG 3.99Å; A1002-A1060 HydrophobicContact CB-CB 4.11Å |
| 1003 | V | 96.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 19.7 Ų | 19.7 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -76.7 | -15.5 | -179.7 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | M878 M888 F892 L895 V999 F1000 V1001 P1006 L1059 | M878-V1003 HydrophobicContact CE-CB 3.94Å; M878-V1003 HydrophobicContact CE-CG1 3.85Å; M878-V1003 HydrophobicContact CE-CG2 3.93Å; M878-V1003 HydrophobicContact SD-CG2 4.45Å; M888-V1003 HydrophobicContact CE-CG1 4.07Å; F892-V1003 HydrophobicContact CD2-CB 4.34Å; F892-V1003 HydrophobicContact CD2-CG2 4.21Å; F892-V1003 HydrophobicContact CE2-CG2 4.36Å; F892-V1003 WeakPolarHBondContact CE2-O 3.4Å; L895-V1003 HydrophobicContact CD1-CG2 3.89Å; V999-V1003 WeakPolarHBondContact O-CG2 3.38Å; V999-V1003 PolarHBondContact O-N 3.43Å; V999-V1003 VanDerWaalsContact O-N 3.12Å; F1000-V1003 WeakPolarHBondContact O-CG2 3.45Å; V1001-V1003 PolarHBondContact O-N 3.38Å; V1003-P1006 WeakPolarHBondContact O-CD 3.38Å; V1003-L1059 HydrophobicContact CG1-CD1 4.14Å; V1003-L1059 HydrophobicContact CG1-CD2 3.79Å; V1003-L1059 HydrophobicContact CG1-CG 3.9Å |
| 1004 | S | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -86.9 | -25.6 | -179.7 | -61.5 | 0 | 0 | 0 | 0 | 113.2 | F1000 V1001 A1002 P1006 T1007 | F1000-S1004 VanDerWaalsContact O-CB 3.26Å; F1000-S1004 WeakPolarHBondContact O-CB 3.4Å; F1000-S1004 PolarHBondContact O-N 3.34Å; F1000-S1004 PolarHBondContact O-OG 3.32Å; V1001-S1004 PolarHBondContact O-N 3.37Å; V1001-S1004 VanDerWaalsContact O-N 3.11Å; A1002-S1004 VanDerWaalsContact C-N 3.26Å; A1002-S1004 PolarHBondContact O-N 2.94Å; S1004-P1006 VanDerWaalsContact C-N 3.3Å; S1004-P1006 VanDerWaalsContact O-N 3.12Å; S1004-T1007 PolarHBondContact O-N 3.3Å; S1004-T1007 PolarHBondContact O-OG1 3.36Å |
| 1005 | L | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -49.5 | -39 | -178.5 | -62.2 | -176.6 | 0 | 0 | 0 | 115.1 | L902 V1001 T1007 L1008 L1030 F1056 A1060 | L902-L1005 HydrophobicContact CD2-CD2 4.17Å; V1001-L1005 HydrophobicContact CG1-CD2 4.39Å; V1001-L1005 WeakPolarHBondContact O-CG 3.27Å; V1001-L1005 PolarHBondContact O-N 3.26Å; L1005-T1007 PolarHBondContact O-N 3.4Å; L1005-L1008 HydrophobicContact CD2-CD1 4.2Å; L1005-L1008 VanDerWaalsContact O-CB 3.29Å; L1005-L1008 WeakPolarHBondContact O-CB 3.44Å; L1005-L1008 PolarHBondContact O-N 3.38Å; L1005-L1008 VanDerWaalsContact O-N 3.14Å; L1005-L1030 HydrophobicContact CD2-CD1 4.24Å; L1005-F1056 HydrophobicContact CD1-CZ 4.22Å; L1005-A1060 HydrophobicContact CD1-CB 3.99Å |
| 1006 | P | 95.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 22.1 Ų | 22.1 | 13% | 0.13 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -58.8 | -27.4 | 178.7 | -25.8 | 35.7 | 0 | 0 | 0 | 114.7 | V1003 S1004 L1008 A1009 L1064 I1067 | V1003-P1006 WeakPolarHBondContact O-CD 3.38Å; S1004-P1006 VanDerWaalsContact C-N 3.3Å; S1004-P1006 VanDerWaalsContact O-N 3.12Å; P1006-L1008 PolarHBondContact O-N 2.94Å; P1006-A1009 VanDerWaalsContact O-CB 3.31Å; P1006-A1009 WeakPolarHBondContact O-CB 3.4Å; P1006-A1009 PolarHBondContact O-N 3.48Å; P1006-A1009 VanDerWaalsContact O-N 3.14Å; P1006-L1064 HydrophobicContact CB-CD2 4.35Å; P1006-L1064 HydrophobicContact CG-CD2 4.07Å; P1006-L1064 HydrophobicContact CG-CG 4.48Å; P1006-I1067 HydrophobicContact CB-CD1 4.16Å; P1006-I1067 HydrophobicContact CB-CG2 3.89Å |
| 1007 | T | 94.9 | Very high | 95.3 | Very high | 35 Ų | 35 | 23.5 Ų | 23.5 | 22% | 0.215 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -66.3 | -26.4 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | F892 V898 L902 S1004 L1005 A1009 S1010 | F892-T1007 HydrophobicContact CE1-CG2 4.16Å; F892-T1007 HydrophobicContact CZ-CG2 3.56Å; V898-T1007 HydrophobicContact CG1-CG2 4.03Å; L902-T1007 WeakPolarHBondContact CD1-OG1 3.34Å; S1004-T1007 PolarHBondContact O-N 3.3Å; S1004-T1007 PolarHBondContact O-OG1 3.36Å; L1005-T1007 PolarHBondContact O-N 3.4Å; T1007-A1009 PolarHBondContact O-N 3.47Å; T1007-A1009 VanDerWaalsContact O-N 3.15Å; T1007-S1010 PolarHBondContact O-N 2.98Å; T1007-S1010 VanDerWaalsContact O-N 3.16Å; T1007-S1010 PolarHBondContact O-OG 3.01Å |
| 1008 | L | 95.8 | Very high | 95 | Very high | 13 Ų | 13 | 24.4 Ų | 24.4 | 7% | 0.068 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -59.7 | -25.5 | 175.7 | -63.2 | 175.9 | 0 | 0 | 0 | 112.5 | L902 L1005 P1006 S1010 N1011 S1014 I1027 L1030 V1082 L1085 | L902-L1008 HydrophobicContact CB-CD2 4.38Å; L902-L1008 HydrophobicContact CD1-CD2 3.78Å; L902-L1008 HydrophobicContact CD1-CG 3.97Å; L902-L1008 HydrophobicContact CD2-CD1 4.28Å; L902-L1008 HydrophobicContact CD2-CG 4.39Å; L902-L1008 HydrophobicContact CG-CD2 4.47Å; L1005-L1008 HydrophobicContact CD2-CD1 4.2Å; L1005-L1008 VanDerWaalsContact O-CB 3.29Å; L1005-L1008 WeakPolarHBondContact O-CB 3.44Å; L1005-L1008 PolarHBondContact O-N 3.38Å; L1005-L1008 VanDerWaalsContact O-N 3.14Å; P1006-L1008 PolarHBondContact O-N 2.94Å; L1008-S1010 PolarHBondContact O-N 3.24Å; L1008-N1011 PolarHBondContact O-N 2.91Å; L1008-N1011 VanDerWaalsContact O-N 3.17Å; L1008-S1014 WeakPolarHBondContact O-CB 3.25Å; L1008-S1014 PolarHBondContact O-OG 3.47Å; L1008-I1027 HydrophobicContact CB-CD1 4.38Å; L1008-I1027 HydrophobicContact CD1-CB 4.28Å; L1008-I1027 HydrophobicContact CD1-CD1 4.15Å; L1008-I1027 HydrophobicContact CD1-CG2 4.11Å; L1008-I1027 HydrophobicContact CD2-CG2 3.98Å; L1008-L1030 HydrophobicContact CD1-CD1 3.86Å; L1008-V1082 HydrophobicContact CB-CG1 4.31Å; L1008-V1082 HydrophobicContact CB-CG2 3.81Å; L1008-L1085 HydrophobicContact CD1-CD1 3.89Å |
| 1009 | A | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -66.9 | -21.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1006 T1007 I1067 T1075 R1077 N1078 R1079 V1082 | P1006-A1009 VanDerWaalsContact O-CB 3.31Å; P1006-A1009 WeakPolarHBondContact O-CB 3.4Å; P1006-A1009 PolarHBondContact O-N 3.48Å; P1006-A1009 VanDerWaalsContact O-N 3.14Å; T1007-A1009 PolarHBondContact O-N 3.47Å; T1007-A1009 VanDerWaalsContact O-N 3.15Å; A1009-I1067 HydrophobicContact CB-CD1 3.96Å; A1009-T1075 CarbonylContact C-O 3.59Å; A1009-T1075 VanDerWaalsContact CB-O 3.3Å; A1009-T1075 WeakPolarHBondContact CB-O 3.15Å; A1009-R1077 PolarHBondContact O-N 2.81Å; A1009-N1078 PolarHBondContact O-N 3.14Å; A1009-R1079 HydrophobicContact CB-CB 4.37Å; A1009-V1082 HydrophobicContact CB-CG2 4.18Å |
| 1010 | S | 92.6 | Very high | 94.4 | Very high | 62 Ų | 62 | 27.6 Ų | 27.6 | 43% | 0.434 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -81.2 | -22.1 | 176.4 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | T1007 L1008 M1074 | T1007-S1010 PolarHBondContact O-N 2.98Å; T1007-S1010 VanDerWaalsContact O-N 3.16Å; T1007-S1010 PolarHBondContact O-OG 3.01Å; L1008-S1010 PolarHBondContact O-N 3.24Å; S1010-M1074 WeakPolarHBondContact CA-O 3.46Å |
| 1011 | N | 93.2 | Very high | 94.2 | Very high | 71 Ų | 71 | 32.1 Ų | 32.1 | 38% | 0.38 | 19% | 0.187 | S | C | . | . | trans | -81.4 | 124.1 | -176.3 | -176.6 | -16.6 | 0 | 0 | 0 | 110.6 | L1008 M1013 S1014 N1078 | L1008-N1011 PolarHBondContact O-N 2.91Å; L1008-N1011 VanDerWaalsContact O-N 3.17Å; N1011-M1013 PolarHBondContact O-N 3.4Å; N1011-M1013 PolarHBondContact OD1-N 3.48Å; N1011-S1014 VanDerWaalsContact O-CB 3.28Å; N1011-S1014 WeakPolarHBondContact O-CB 3.37Å; N1011-S1014 PolarHBondContact O-N 3.14Å; N1011-S1014 PolarHBondContact O-OG 3.24Å; N1011-N1078 PolarHBondContact O-ND2 3.28Å | ||
| 1012 | V | 91.4 | Very high | 94.1 | Very high | 68 Ų | 68 | 32.1 Ų | 32.1 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -57.6 | -34.9 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | S1014 Q1015 N1078 | V1012-S1014 PolarHBondContact O-N 3.03Å; V1012-Q1015 PolarHBondContact O-N 2.86Å; V1012-N1078 WeakPolarHBondContact CA-ND2 3.47Å; V1012-N1078 PolarHBondContact O-ND2 3.13Å |
| 1013 | M | 92.5 | Very high | 94.1 | Very high | 109 Ų | 109 | 32.1 Ų | 32.1 | 54% | 0.537 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -77.7 | -7.6 | -178.2 | -59.5 | -61.2 | 162.1 | 0 | 0 | 113.5 | N1011 Q1015 C1024 N1025 | N1011-M1013 PolarHBondContact O-N 3.4Å; N1011-M1013 PolarHBondContact OD1-N 3.48Å; M1013-Q1015 PolarHBondContact O-N 3.5Å; M1013-C1024 WeakPolarHBondContact O-CB 3.34Å; M1013-C1024 PolarHBondContact O-N 3.33Å; M1013-N1025 HydrophobicContact CB-CB 3.73Å; M1013-N1025 VanDerWaalsContact O-CG 3.24Å; M1013-N1025 PolarHBondContact O-N 3.25Å; M1013-N1025 PolarHBondContact O-OD1 3.34Å |
| 1014 | S | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -77.4 | 13.6 | 171.4 | -55.8 | 0 | 0 | 0 | 0 | 113 | L1008 N1011 V1012 Y1016 H1023 N1025 S1081 | L1008-S1014 WeakPolarHBondContact O-CB 3.25Å; L1008-S1014 PolarHBondContact O-OG 3.47Å; N1011-S1014 VanDerWaalsContact O-CB 3.28Å; N1011-S1014 WeakPolarHBondContact O-CB 3.37Å; N1011-S1014 PolarHBondContact O-N 3.14Å; N1011-S1014 PolarHBondContact O-OG 3.24Å; V1012-S1014 PolarHBondContact O-N 3.03Å; S1014-Y1016 PolarHBondContact O-N 3.45Å; S1014-H1023 PolarHBondContact O-CD2 3.44Å; S1014-N1025 PolarHBondContact N-ND2 2.99Å; S1014-N1025 PolarHBondContact OG-ND2 2.99Å; S1014-S1081 WeakPolarHBondContact O-CB 3.43Å |
| 1015 | Q | 94.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 35.3 Ų | 35.3 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | trans | -66.7 | 126.4 | 172 | 178.5 | 63.2 | 52.2 | 0 | 0 | 109 | V1012 M1013 H1023 C1024 N1078 | V1012-Q1015 PolarHBondContact O-N 2.86Å; M1013-Q1015 PolarHBondContact O-N 3.5Å; Q1015-H1023 WeakPolarHBondContact O-CA 3.49Å; Q1015-C1024 PolarHBondContact O-N 3.15Å; Q1015-N1078 PolarHBondContact N-ND2 3.1Å; Q1015-N1078 PolarHBondContact OE1-OD1 3.5Å; Q1015-N1078 VanDerWaalsContact OE1-OD1 3.09Å | ||
| 1016 | Y | 95.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.7 | 168.3 | -177.8 | -84.3 | 0 | 0 | 0 | 109.2 | S1014 E1021 G1022 H1023 S1081 L1084 M1088 V1117 Y1118 | S1014-Y1016 PolarHBondContact O-N 3.45Å; Y1016-E1021 WeakPolarHBondContact OH-CA 3.44Å; Y1016-G1022 CarbonylContact C-O 3.53Å; Y1016-G1022 WeakPolarHBondContact CA-O 3.44Å; Y1016-G1022 VanDerWaalsContact CE2-N 3.35Å; Y1016-H1023 AromaticContact CD2-CE1 3.98Å; Y1016-H1023 AromaticContact CD2-NE2 3.96Å; Y1016-S1081 PolarHBondContact N-OG 2.63Å; Y1016-L1084 HydrophobicContact CD1-CD1 4.08Å; Y1016-L1084 HydrophobicContact CD2-CD1 3.87Å; Y1016-L1084 HydrophobicContact CE2-CD1 4.31Å; Y1016-L1084 HydrophobicContact CG-CD1 3.72Å; Y1016-M1088 HydrophobicContact CD2-CE 3.74Å; Y1016-M1088 HydrophobicContact CE2-CE 3.32Å; Y1016-V1117 HydrophobicContact CD1-CB 3.96Å; Y1016-V1117 HydrophobicContact CD1-CG2 3.42Å; Y1016-V1117 VanDerWaalsContact CD1-CG2 3.42Å; Y1016-V1117 HydrophobicContact CE1-CG2 4.02Å; Y1016-V1117 HydrophobicContact CG-CG2 4.2Å; Y1016-Y1118 AromaticContact CE1-CE2 3.92Å; Y1016-Y1118 HydrophobicContact CE1-CE2 3.92Å |
| 1017 | S | 93.8 | Very high | 94 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 21% | 0.21 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.7 | 178.2 | 177.8 | 0 | 0 | 0 | 0 | 110 | A1019 I1020 E1021 G1022 | S1017-A1019 PolarHBondContact O-N 3.43Å; S1017-A1019 PolarHBondContact OG-N 3.04Å; S1017-I1020 PolarHBondContact O-N 3.46Å; S1017-E1021 PolarHBondContact O-N 2.89Å; S1017-G1022 PolarHBondContact N-O 3.05Å |
| 1018 | P | 91.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 14% | 0.143 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.1 | 173 | -28.2 | 36.9 | 0 | 0 | 0 | 114 | I1020 E1021 Y1118 | P1018-I1020 PolarHBondContact O-N 3.49Å; P1018-E1021 PolarHBondContact O-N 3.03Å; P1018-Y1118 HydrophobicContact CB-CD1 3.83Å; P1018-Y1118 HydrophobicContact CB-CE1 3.7Å; P1018-Y1118 HydrophobicContact CB-CG 4.39Å; P1018-Y1118 HydrophobicContact CG-CD1 3.85Å; P1018-Y1118 HydrophobicContact CG-CD2 4.25Å; P1018-Y1118 HydrophobicContact CG-CE1 4.14Å; P1018-Y1118 HydrophobicContact CG-CG 3.92Å |
| 1019 | A | 90.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 60% | 0.595 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | S1017 | S1017-A1019 PolarHBondContact O-N 3.43Å; S1017-A1019 PolarHBondContact OG-N 3.04Å |
| 1020 | I | 92.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -29.3 | 176.8 | -55.8 | -177.2 | 0 | 0 | 0 | 110.1 | F806 P807 A808 S1017 P1018 G1022 | F806-I1020 HydrophobicContact CD1-CB 4.4Å; F806-I1020 HydrophobicContact CD1-CG1 4.19Å; F806-I1020 HydrophobicContact CD1-CG2 3.77Å; F806-I1020 HydrophobicContact CD2-CB 4.43Å; F806-I1020 HydrophobicContact CD2-CG1 4.17Å; F806-I1020 HydrophobicContact CE1-CB 4.47Å; F806-I1020 HydrophobicContact CE1-CD1 3.92Å; F806-I1020 HydrophobicContact CE1-CG1 3.78Å; F806-I1020 HydrophobicContact CE1-CG2 4.11Å; F806-I1020 HydrophobicContact CE2-CG1 3.78Å; F806-I1020 HydrophobicContact CG-CB 4.38Å; F806-I1020 HydrophobicContact CG-CG1 4.38Å; F806-I1020 HydrophobicContact CG-CG2 4.01Å; F806-I1020 HydrophobicContact CZ-CD1 3.95Å; F806-I1020 HydrophobicContact CZ-CG1 3.58Å; P807-I1020 VanDerWaalsContact CD-O 3.27Å; P807-I1020 WeakPolarHBondContact CD-O 3.32Å; A808-I1020 PolarHBondContact N-O 2.97Å; S1017-I1020 PolarHBondContact O-N 3.46Å; P1018-I1020 PolarHBondContact O-N 3.49Å; I1020-G1022 PolarHBondContact O-N 2.89Å |
| 1021 | E | 93.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 30.6 Ų | 30.6 | 44% | 0.444 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 39.1 | -156 | -69.5 | -179.1 | 169.5 | 0 | 0 | 111.9 | P807 A808 Y1016 S1017 P1018 | P807-E1021 HydrophobicContact CB-CB 4.48Å; A808-E1021 HydrophobicContact CB-CB 3.92Å; A808-E1021 HydrophobicContact CB-CG 3.75Å; Y1016-E1021 WeakPolarHBondContact OH-CA 3.44Å; S1017-E1021 PolarHBondContact O-N 2.89Å; P1018-E1021 PolarHBondContact O-N 3.03Å |
| 1022 | G | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175 | -162.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1016 S1017 I1020 | Y1016-G1022 CarbonylContact C-O 3.53Å; Y1016-G1022 WeakPolarHBondContact CA-O 3.44Å; Y1016-G1022 VanDerWaalsContact CE2-N 3.35Å; S1017-G1022 PolarHBondContact N-O 3.05Å; I1020-G1022 PolarHBondContact O-N 2.89Å |
| 1023 | H | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 147.2 | -173.7 | -50.3 | 84.1 | 0 | 0 | 0 | 111.5 | S1014 Q1015 Y1016 N1025 N1026 I1027 H1028 S1081 | S1014-H1023 PolarHBondContact O-CD2 3.44Å; Q1015-H1023 WeakPolarHBondContact O-CA 3.49Å; Y1016-H1023 AromaticContact CD2-CE1 3.98Å; Y1016-H1023 AromaticContact CD2-NE2 3.96Å; H1023-N1025 PolarHBondContact O-N 3.13Å; H1023-N1025 VanDerWaalsContact O-N 3.17Å; H1023-N1026 PolarHBondContact O-N 3.35Å; H1023-I1027 HydrophobicContact CB-CD1 4.17Å; H1023-I1027 HydrophobicContact CB-CG1 3.49Å; H1023-I1027 VanDerWaalsContact CB-CG1 3.49Å; H1023-H1028 PolarHBondContact N-ND1 3.11Å; H1023-H1028 WeakPolarHBondContact ND1-CB 3.37Å; H1023-H1028 PolarHBondContact ND1-N 3.12Å; H1023-H1028 AromaticContact ND1-ND1 3.87Å; H1023-H1028 PolarHBondContact O-CE1 3.42Å; H1023-S1081 PolarHBondContact NE2-O 2.91Å |
| 1024 | C | 92.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 20 Ų | 20 | 25% | 0.25 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25 | -176.4 | -56 | 0 | 0 | 0 | 0 | 113.7 | L815 M1013 Q1015 | L815-C1024 WeakPolarHBondContact CD1-O 3.44Å; M1013-C1024 WeakPolarHBondContact O-CB 3.34Å; M1013-C1024 PolarHBondContact O-N 3.33Å; Q1015-C1024 PolarHBondContact O-N 3.15Å |
| 1025 | N | 94.6 | Very high | 95.5 | Very high | 35 Ų | 35 | 20.2 Ų | 20.2 | 19% | 0.187 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 17.2 | 176.8 | 59.8 | 0.8 | 0 | 0 | 0 | 114.2 | M1013 S1014 H1023 I1027 | M1013-N1025 HydrophobicContact CB-CB 3.73Å; M1013-N1025 VanDerWaalsContact O-CG 3.24Å; M1013-N1025 PolarHBondContact O-N 3.25Å; M1013-N1025 PolarHBondContact O-OD1 3.34Å; S1014-N1025 PolarHBondContact N-ND2 2.99Å; S1014-N1025 PolarHBondContact OG-ND2 2.99Å; H1023-N1025 PolarHBondContact O-N 3.13Å; H1023-N1025 VanDerWaalsContact O-N 3.17Å; N1025-I1027 VanDerWaalsContact C-N 3.28Å; N1025-I1027 PolarHBondContact O-N 3.44Å; N1025-I1027 WeakPolarHBondContact OD1-CG1 3.48Å; N1025-I1027 WeakPolarHBondContact OD1-CG2 3.4Å |
| 1026 | N | 97.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 4% | 0.043 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 65.6 | 14.5 | 177.9 | -60.6 | -56.4 | 0 | 0 | 0 | 116.5 | I803 A804 Y805 T906 V910 H1023 H1028 C1029 | I803-N1026 PolarHBondContact O-ND2 3.27Å; A804-N1026 WeakPolarHBondContact CA-OD1 3.5Å; A804-N1026 WeakPolarHBondContact CB-OD1 3.38Å; Y805-N1026 PolarHBondContact N-OD1 3.39Å; T906-N1026 HydrophobicContact CG2-CB 3.88Å; V910-N1026 HydrophobicContact CG2-CB 3.74Å; H1023-N1026 PolarHBondContact O-N 3.35Å; N1026-H1028 PolarHBondContact O-N 3.45Å; N1026-C1029 WeakPolarHBondContact O-CB 3.46Å; N1026-C1029 PolarHBondContact O-N 3.32Å; N1026-C1029 PolarHBondContact O-SG 3.32Å |
| 1027 | I | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -65.7 | -19.6 | -178.7 | 62 | 176.5 | 0 | 0 | 0 | 113.6 | L1008 H1023 N1025 C1029 L1030 V1082 L1085 | L1008-I1027 HydrophobicContact CB-CD1 4.38Å; L1008-I1027 HydrophobicContact CD1-CB 4.28Å; L1008-I1027 HydrophobicContact CD1-CD1 4.15Å; L1008-I1027 HydrophobicContact CD1-CG2 4.11Å; L1008-I1027 HydrophobicContact CD2-CG2 3.98Å; H1023-I1027 HydrophobicContact CB-CD1 4.17Å; H1023-I1027 HydrophobicContact CB-CG1 3.49Å; H1023-I1027 VanDerWaalsContact CB-CG1 3.49Å; N1025-I1027 VanDerWaalsContact C-N 3.28Å; N1025-I1027 PolarHBondContact O-N 3.44Å; N1025-I1027 WeakPolarHBondContact OD1-CG1 3.48Å; N1025-I1027 WeakPolarHBondContact OD1-CG2 3.4Å; I1027-C1029 PolarHBondContact O-N 3.21Å; I1027-L1030 HydrophobicContact CB-CD1 3.98Å; I1027-L1030 HydrophobicContact CG2-CD1 4.28Å; I1027-L1030 WeakPolarHBondContact O-CB 3.34Å; I1027-L1030 VanDerWaalsContact O-CG 3.27Å; I1027-L1030 WeakPolarHBondContact O-CG 3.25Å; I1027-L1030 PolarHBondContact O-N 3.42Å; I1027-V1082 HydrophobicContact CD1-CG2 4.42Å; I1027-L1085 HydrophobicContact CD1-CD1 4.2Å; I1027-L1085 HydrophobicContact CG1-CD1 4.45Å; I1027-L1085 HydrophobicContact CG1-CD2 4.25Å; I1027-L1085 VanDerWaalsContact O-CD2 3.24Å; I1027-L1085 WeakPolarHBondContact O-CD2 3.31Å |
| 1028 | H | 97.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 17 Ų | 17 | 6% | 0.06 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -57.1 | -28.9 | 167.9 | 54 | -71.3 | 0 | 0 | 0 | 112.4 | Y805 H1023 N1026 L1030 A1031 M1088 | Y805-H1028 AromaticContact CD1-NE2 3.88Å; Y805-H1028 PolarHBondContact O-CE1 3.41Å; Y805-H1028 PolarHBondContact O-NE2 2.7Å; H1023-H1028 PolarHBondContact N-ND1 3.11Å; H1023-H1028 WeakPolarHBondContact ND1-CB 3.37Å; H1023-H1028 PolarHBondContact ND1-N 3.12Å; H1023-H1028 AromaticContact ND1-ND1 3.87Å; H1023-H1028 PolarHBondContact O-CE1 3.42Å; N1026-H1028 PolarHBondContact O-N 3.45Å; H1028-L1030 PolarHBondContact O-N 3.47Å; H1028-A1031 WeakPolarHBondContact O-CB 3.33Å; H1028-A1031 PolarHBondContact O-N 3.01Å; H1028-M1088 HydrophobicContact CB-CE 4.11Å; H1028-M1088 HydrophobicContact CB-SD 3.53Å; H1028-M1088 VanDerWaalsContact CB-SD 3.53Å |
| 1029 | C | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -67.7 | -16.2 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | G909 V910 N1026 I1027 A1031 K1032 A1033 | G909-C1029 VanDerWaalsContact CA-O 3.24Å; G909-C1029 WeakPolarHBondContact CA-O 3.27Å; V910-C1029 HydrophobicContact CG2-CB 4.37Å; N1026-C1029 WeakPolarHBondContact O-CB 3.46Å; N1026-C1029 PolarHBondContact O-N 3.32Å; N1026-C1029 PolarHBondContact O-SG 3.32Å; I1027-C1029 PolarHBondContact O-N 3.21Å; C1029-A1031 PolarHBondContact O-N 3.37Å; C1029-K1032 PolarHBondContact O-N 3.1Å; C1029-A1033 PolarHBondContact O-N 3.14Å; C1029-A1033 VanDerWaalsContact O-N 3.11Å |
| 1030 | L | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60 | -31.5 | 173.6 | -68.8 | 172.1 | 0 | 0 | 0 | 111.8 | M905 L1005 L1008 I1027 H1028 K1032 A1033 I1034 L1085 | M905-L1030 VanDerWaalsContact C-CD2 3.49Å; M905-L1030 HydrophobicContact CB-CD2 3.46Å; M905-L1030 VanDerWaalsContact CB-CD2 3.46Å; L1005-L1030 HydrophobicContact CD2-CD1 4.24Å; L1008-L1030 HydrophobicContact CD1-CD1 3.86Å; I1027-L1030 HydrophobicContact CB-CD1 3.98Å; I1027-L1030 HydrophobicContact CG2-CD1 4.28Å; I1027-L1030 WeakPolarHBondContact O-CB 3.34Å; I1027-L1030 VanDerWaalsContact O-CG 3.27Å; I1027-L1030 WeakPolarHBondContact O-CG 3.25Å; I1027-L1030 PolarHBondContact O-N 3.42Å; H1028-L1030 PolarHBondContact O-N 3.47Å; L1030-K1032 VanDerWaalsContact C-N 3.31Å; L1030-K1032 PolarHBondContact O-N 3.45Å; L1030-A1033 PolarHBondContact O-N 3.07Å; L1030-I1034 HydrophobicContact CB-CD1 4.16Å; L1030-I1034 WeakPolarHBondContact O-CB 3.46Å; L1030-I1034 WeakPolarHBondContact O-CD1 3.08Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.42Å; L1030-I1034 PolarHBondContact O-N 2.83Å; L1030-L1085 HydrophobicContact CD1-CD1 4.42Å |
| 1031 | A | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 3% | 0.033 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.7 | -49.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1028 C1029 N1035 M1088 I1089 E1092 | H1028-A1031 WeakPolarHBondContact O-CB 3.33Å; H1028-A1031 PolarHBondContact O-N 3.01Å; C1029-A1031 PolarHBondContact O-N 3.37Å; A1031-N1035 WeakPolarHBondContact O-CB 3.21Å; A1031-N1035 PolarHBondContact O-N 3.2Å; A1031-N1035 VanDerWaalsContact O-N 3.17Å; A1031-M1088 HydrophobicContact CB-CB 3.87Å; A1031-I1089 HydrophobicContact CB-CG1 3.95Å; A1031-E1092 HydrophobicContact CB-CB 4.16Å; A1031-E1092 HydrophobicContact CB-CG 4.48Å |
| 1032 | K | 97.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 7.8 Ų | 7.8 | 11% | 0.113 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.7 | -40.5 | 178 | -163.6 | 176.1 | -70 | -81.5 | 0 | 111.9 | L912 S916 C1029 L1030 Q1036 E1092 | L912-K1032 HydrophobicContact CB-CD 3.83Å; L912-K1032 HydrophobicContact CB-CG 4.01Å; S916-K1032 WeakPolarHBondContact OG-CD 3.38Å; S916-K1032 WeakPolarHBondContact OG-CE 3.32Å; S916-K1032 PolarHBondContact OG-NZ 3.33Å; C1029-K1032 PolarHBondContact O-N 3.1Å; L1030-K1032 VanDerWaalsContact C-N 3.31Å; L1030-K1032 PolarHBondContact O-N 3.45Å; K1032-Q1036 HydrophobicContact CG-CG 4.41Å; K1032-Q1036 WeakPolarHBondContact O-CB 3.42Å; K1032-Q1036 WeakPolarHBondContact O-CG 3.48Å; K1032-Q1036 PolarHBondContact O-N 2.51Å; K1032-E1092 HydrophobicContact CB-CG 4.16Å; K1032-E1092 WeakPolarHBondContact CE-OE1 3.39Å; K1032-E1092 HydrophobicContact CG-CG 4.47Å; K1032-E1092 IonicContact NZ-OE1 3.6Å; K1032-E1092 PolarHBondContact NZ-OE1 3.39Å; K1032-E1092 IonicContact NZ-OE2 3.99Å |
| 1033 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.9 | -51 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M905 I908 C1029 L1030 N1035 I1037 | M905-A1033 HydrophobicContact CE-CB 3.83Å; M905-A1033 WeakPolarHBondContact O-CB 3.41Å; I908-A1033 HydrophobicContact CB-CB 4.4Å; I908-A1033 HydrophobicContact CG2-CB 4.09Å; C1029-A1033 PolarHBondContact O-N 3.14Å; C1029-A1033 VanDerWaalsContact O-N 3.11Å; L1030-A1033 PolarHBondContact O-N 3.07Å; A1033-N1035 PolarHBondContact O-N 3.05Å; A1033-I1037 WeakPolarHBondContact O-CB 3.47Å; A1033-I1037 WeakPolarHBondContact O-CG1 3.29Å; A1033-I1037 PolarHBondContact O-N 3.37Å |
| 1034 | I | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | -177.5 | -69.4 | 159 | 0 | 0 | 0 | 109.9 | M905 V1001 L1030 A1038 L1053 F1056 I1089 | M905-I1034 HydrophobicContact CE-CG1 4.04Å; V1001-I1034 HydrophobicContact CG1-CD1 4.1Å; V1001-I1034 HydrophobicContact CG1-CG1 4.11Å; L1030-I1034 HydrophobicContact CB-CD1 4.16Å; L1030-I1034 WeakPolarHBondContact O-CB 3.46Å; L1030-I1034 WeakPolarHBondContact O-CD1 3.08Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.42Å; L1030-I1034 PolarHBondContact O-N 2.83Å; I1034-A1038 WeakPolarHBondContact O-CB 3.16Å; I1034-A1038 PolarHBondContact O-N 3.38Å; I1034-L1053 HydrophobicContact CG2-CD2 4.06Å; I1034-F1056 HydrophobicContact CD1-CE1 4.08Å; I1034-F1056 HydrophobicContact CD1-CE2 4.29Å; I1034-F1056 HydrophobicContact CD1-CZ 3.53Å; I1034-F1056 HydrophobicContact CG1-CE2 4.48Å; I1034-F1056 HydrophobicContact CG1-CZ 4.13Å; I1034-F1056 HydrophobicContact CG2-CD1 4.05Å; I1034-F1056 HydrophobicContact CG2-CD2 4.4Å; I1034-F1056 HydrophobicContact CG2-CE1 3.83Å; I1034-F1056 HydrophobicContact CG2-CE2 4.17Å; I1034-F1056 HydrophobicContact CG2-CG 4.36Å; I1034-F1056 HydrophobicContact CG2-CZ 3.9Å; I1034-I1089 HydrophobicContact CD1-CD1 3.74Å; I1034-I1089 HydrophobicContact CD1-CG1 4.11Å |
| 1035 | N | 97.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 2% | 0.016 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -60.9 | -56.6 | -179.8 | 179.5 | 43.8 | 0 | 0 | 0 | 111.9 | A1031 A1033 I1037 A1038 A1039 E1092 S1093 | A1031-N1035 WeakPolarHBondContact O-CB 3.21Å; A1031-N1035 PolarHBondContact O-N 3.2Å; A1031-N1035 VanDerWaalsContact O-N 3.17Å; A1033-N1035 PolarHBondContact O-N 3.05Å; N1035-I1037 PolarHBondContact O-N 3.42Å; N1035-A1038 PolarHBondContact O-N 2.87Å; N1035-A1039 WeakPolarHBondContact O-CB 3.2Å; N1035-A1039 PolarHBondContact O-N 3.26Å; N1035-E1092 PolarHBondContact ND2-O 2.91Å; N1035-E1092 VanDerWaalsContact ND2-O 3.13Å; N1035-S1093 PolarHBondContact OD1-OG 3.47Å |
| 1036 | Q | 97.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 17.1 Ų | 17.1 | 13% | 0.126 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70 | -36.7 | -173.2 | -69.4 | -69.6 | -22.8 | 0 | 0 | 112.8 | L912 L973 K1032 A1039 A1040 | L912-Q1036 HydrophobicContact CD1-CB 3.84Å; L912-Q1036 HydrophobicContact CD1-CG 4.34Å; L973-Q1036 HydrophobicContact CD2-CB 4.07Å; K1032-Q1036 HydrophobicContact CG-CG 4.41Å; K1032-Q1036 WeakPolarHBondContact O-CB 3.42Å; K1032-Q1036 WeakPolarHBondContact O-CG 3.48Å; K1032-Q1036 PolarHBondContact O-N 2.51Å; Q1036-A1039 PolarHBondContact O-N 3.4Å; Q1036-A1040 WeakPolarHBondContact O-CB 3.4Å; Q1036-A1040 PolarHBondContact O-N 3.36Å |
| 1037 | I | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 175.5 | -66.6 | -68 | 0 | 0 | 0 | 111 | I857 V861 I908 L973 L977 L997 M998 A1033 N1035 L1041 | I857-I1037 HydrophobicContact CG2-CD1 4.07Å; V861-I1037 HydrophobicContact CG2-CD1 3.73Å; I908-I1037 HydrophobicContact CD1-CD1 4.44Å; I908-I1037 HydrophobicContact CG2-CD1 3.94Å; I908-I1037 HydrophobicContact CG2-CG1 3.88Å; L973-I1037 HydrophobicContact CD1-CD1 4.42Å; L973-I1037 HydrophobicContact CD2-CD1 4.28Å; L977-I1037 HydrophobicContact CD1-CD1 4.15Å; L997-I1037 HydrophobicContact CD2-CG2 4.3Å; M998-I1037 HydrophobicContact CE-CG2 4.1Å; A1033-I1037 WeakPolarHBondContact O-CB 3.47Å; A1033-I1037 WeakPolarHBondContact O-CG1 3.29Å; A1033-I1037 PolarHBondContact O-N 3.37Å; N1035-I1037 PolarHBondContact O-N 3.42Å; I1037-L1041 HydrophobicContact CG2-CD1 3.58Å; I1037-L1041 HydrophobicContact CG2-CG 4.1Å; I1037-L1041 VanDerWaalsContact O-CB 3.3Å; I1037-L1041 WeakPolarHBondContact O-CB 3.27Å; I1037-L1041 VanDerWaalsContact O-CG 3.3Å; I1037-L1041 WeakPolarHBondContact O-CG 3.44Å; I1037-L1041 PolarHBondContact O-N 2.75Å |
| 1038 | A | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.7 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | M998 I1034 N1035 A1040 F1042 L1053 | M998-A1038 HydrophobicContact CE-CB 3.86Å; M998-A1038 HydrophobicContact SD-CB 4.13Å; I1034-A1038 WeakPolarHBondContact O-CB 3.16Å; I1034-A1038 PolarHBondContact O-N 3.38Å; N1035-A1038 PolarHBondContact O-N 2.87Å; A1038-A1040 VanDerWaalsContact C-N 3.34Å; A1038-A1040 PolarHBondContact O-N 3.18Å; A1038-F1042 HydrophobicContact CB-CD2 4.02Å; A1038-F1042 HydrophobicContact CB-CE2 4.03Å; A1038-F1042 WeakPolarHBondContact O-CB 3.47Å; A1038-F1042 WeakPolarHBondContact O-CD2 3.33Å; A1038-F1042 PolarHBondContact O-N 3.25Å; A1038-L1053 HydrophobicContact CB-CD1 4.34Å; A1038-L1053 HydrophobicContact CB-CD2 3.65Å; A1038-L1053 HydrophobicContact CB-CG 3.93Å |
| 1039 | A | 95.1 | Very high | 95 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56 | -48.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I969 N1035 Q1036 T1043 I1049 F1095 | I969-A1039 HydrophobicContact CG1-CB 4.5Å; N1035-A1039 WeakPolarHBondContact O-CB 3.2Å; N1035-A1039 PolarHBondContact O-N 3.26Å; Q1036-A1039 PolarHBondContact O-N 3.4Å; A1039-T1043 VanDerWaalsContact O-CB 3.24Å; A1039-T1043 WeakPolarHBondContact O-CB 3.34Å; A1039-T1043 PolarHBondContact O-N 3.35Å; A1039-T1043 VanDerWaalsContact O-N 3.09Å; A1039-T1043 PolarHBondContact O-OG1 3.11Å; A1039-I1049 HydrophobicContact CB-CD1 4.38Å; A1039-I1049 HydrophobicContact CB-CG2 4.28Å; A1039-F1095 HydrophobicContact CB-CE2 4.09Å |
| 1040 | A | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.4 | -52.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L973 V974 L977 Q1036 A1038 F1042 T1043 I1044 | L973-A1040 HydrophobicContact CB-CB 4.45Å; L973-A1040 HydrophobicContact CD2-CB 3.85Å; L973-A1040 HydrophobicContact CG-CB 3.83Å; V974-A1040 HydrophobicContact CG2-CB 3.95Å; L977-A1040 HydrophobicContact CD1-CB 4.03Å; Q1036-A1040 WeakPolarHBondContact O-CB 3.4Å; Q1036-A1040 PolarHBondContact O-N 3.36Å; A1038-A1040 VanDerWaalsContact C-N 3.34Å; A1038-A1040 PolarHBondContact O-N 3.18Å; A1040-F1042 PolarHBondContact O-N 3.09Å; A1040-T1043 PolarHBondContact O-N 3.46Å; A1040-I1044 VanDerWaalsContact O-CG1 3.27Å; A1040-I1044 WeakPolarHBondContact O-CG1 3.46Å; A1040-I1044 PolarHBondContact O-N 2.7Å |
| 1041 | L | 94.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | -177.1 | -70.3 | 177.2 | 0 | 0 | 0 | 111.5 | L977 A994 L997 I1037 T1043 I1044 H1045 | L977-L1041 HydrophobicContact CD1-CD2 4Å; L977-L1041 HydrophobicContact CD1-CG 4.3Å; A994-L1041 HydrophobicContact CB-CB 4.12Å; A994-L1041 HydrophobicContact CB-CD1 4.05Å; L997-L1041 HydrophobicContact CD2-CD1 4.13Å; I1037-L1041 HydrophobicContact CG2-CD1 3.58Å; I1037-L1041 HydrophobicContact CG2-CG 4.1Å; I1037-L1041 VanDerWaalsContact O-CB 3.3Å; I1037-L1041 WeakPolarHBondContact O-CB 3.27Å; I1037-L1041 VanDerWaalsContact O-CG 3.3Å; I1037-L1041 WeakPolarHBondContact O-CG 3.44Å; I1037-L1041 PolarHBondContact O-N 2.75Å; L1041-T1043 VanDerWaalsContact C-N 3.31Å; L1041-T1043 PolarHBondContact O-N 3.15Å; L1041-I1044 PolarHBondContact O-N 3.25Å; L1041-H1045 PolarHBondContact O-N 3.29Å; L1041-H1045 VanDerWaalsContact O-N 3.11Å; L1041-H1045 PolarHBondContact O-ND1 2.97Å |
| 1042 | F | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.7 | -21.4 | -178.3 | -60.9 | -56.6 | 0 | 0 | 0 | 112.7 | Y991 A994 M998 A1038 A1040 K1046 G1047 I1049 R1052 | Y991-F1042 HydrophobicContact CD2-CD1 4.22Å; Y991-F1042 HydrophobicContact CD2-CE1 4.45Å; Y991-F1042 AromaticContact CE2-CD1 3.7Å; Y991-F1042 HydrophobicContact CE2-CD1 3.7Å; Y991-F1042 HydrophobicContact CE2-CE1 4.03Å; A994-F1042 HydrophobicContact CB-CD1 4.49Å; A994-F1042 HydrophobicContact CB-CE1 3.82Å; A994-F1042 HydrophobicContact CB-CZ 4.25Å; M998-F1042 HydrophobicContact CE-CE2 4.23Å; M998-F1042 HydrophobicContact CG-CE2 3.93Å; M998-F1042 HydrophobicContact CG-CZ 3.98Å; A1038-F1042 HydrophobicContact CB-CD2 4.02Å; A1038-F1042 HydrophobicContact CB-CE2 4.03Å; A1038-F1042 WeakPolarHBondContact O-CB 3.47Å; A1038-F1042 WeakPolarHBondContact O-CD2 3.33Å; A1038-F1042 PolarHBondContact O-N 3.25Å; A1040-F1042 PolarHBondContact O-N 3.09Å; F1042-K1046 PolarHBondContact O-N 3.17Å; F1042-K1046 VanDerWaalsContact O-N 3.1Å; F1042-G1047 PolarHBondContact O-N 2.75Å; F1042-I1049 HydrophobicContact CB-CG1 4.03Å; F1042-R1052 HydrophobicContact CD1-CG 3.91Å; F1042-R1052 HydrophobicContact CD2-CB 3.66Å; F1042-R1052 HydrophobicContact CD2-CG 3.84Å; F1042-R1052 HydrophobicContact CE1-CB 4.32Å; F1042-R1052 HydrophobicContact CE1-CG 3.72Å; F1042-R1052 HydrophobicContact CE2-CB 3.35Å; F1042-R1052 HydrophobicContact CE2-CG 3.69Å; F1042-R1052 HydrophobicContact CG-CB 4.31Å; F1042-R1052 HydrophobicContact CG-CG 3.98Å; F1042-R1052 HydrophobicContact CZ-CB 3.71Å; F1042-R1052 HydrophobicContact CZ-CG 3.62Å |
| 1043 | T | 92.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 28.9 Ų | 28.9 | 9% | 0.092 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.5 | -47.4 | 166 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | M950 I969 A1039 A1040 L1041 H1045 K1046 | M950-T1043 HydrophobicContact CG-CG2 3.77Å; M950-T1043 HydrophobicContact SD-CG2 3.85Å; I969-T1043 HydrophobicContact CD1-CG2 4.31Å; I969-T1043 WeakPolarHBondContact CD1-OG1 3.46Å; I969-T1043 HydrophobicContact CG2-CG2 4.32Å; A1039-T1043 VanDerWaalsContact O-CB 3.24Å; A1039-T1043 WeakPolarHBondContact O-CB 3.34Å; A1039-T1043 PolarHBondContact O-N 3.35Å; A1039-T1043 VanDerWaalsContact O-N 3.09Å; A1039-T1043 PolarHBondContact O-OG1 3.11Å; A1040-T1043 PolarHBondContact O-N 3.46Å; L1041-T1043 VanDerWaalsContact C-N 3.31Å; L1041-T1043 PolarHBondContact O-N 3.15Å; T1043-H1045 VanDerWaalsContact C-N 3.28Å; T1043-H1045 PolarHBondContact O-N 3.15Å; T1043-K1046 PolarHBondContact O-N 3.23Å; T1043-K1046 VanDerWaalsContact O-N 3.1Å |
| 1044 | I | 92 | Very high | 94.6 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 11% | 0.108 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.2 | -41.1 | 179.7 | -68.7 | 165.9 | 0 | 0 | 0 | 111.7 | V974 L977 S978 A1040 L1041 | V974-I1044 HydrophobicContact CG1-CD1 4.49Å; V974-I1044 HydrophobicContact CG1-CG1 3.94Å; L977-I1044 HydrophobicContact CB-CD1 3.67Å; S978-I1044 WeakPolarHBondContact OG-CG1 3.31Å; A1040-I1044 VanDerWaalsContact O-CG1 3.27Å; A1040-I1044 WeakPolarHBondContact O-CG1 3.46Å; A1040-I1044 PolarHBondContact O-N 2.7Å; L1041-I1044 PolarHBondContact O-N 3.25Å |
| 1045 | H | 90.7 | Very high | 94.5 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7.2 | -178.7 | -53.5 | 108.3 | 0 | 0 | 0 | 113.5 | E990 Y991 L1041 T1043 G1047 | E990-H1045 WeakPolarHBondContact CB-NE2 3.44Å; E990-H1045 IonicContact OE2-NE2 3.46Å; Y991-H1045 HydrophobicContact CD2-CB 3.61Å; Y991-H1045 HydrophobicContact CE2-CB 4.48Å; Y991-H1045 HydrophobicContact CG-CB 4.4Å; L1041-H1045 PolarHBondContact O-N 3.29Å; L1041-H1045 VanDerWaalsContact O-N 3.11Å; L1041-H1045 PolarHBondContact O-ND1 2.97Å; T1043-H1045 VanDerWaalsContact C-N 3.28Å; T1043-H1045 PolarHBondContact O-N 3.15Å; H1045-G1047 VanDerWaalsContact C-N 3.25Å; H1045-G1047 PolarHBondContact O-N 3.11Å |
| 1046 | K | 88.3 | Confident | 94.5 | Very high | 198 Ų | 198 | 35 Ų | 35 | 86% | 0.861 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 36.1 | 179.3 | -52.5 | 179.3 | -178.7 | -178.5 | 0 | 114 | F1042 T1043 | F1042-K1046 PolarHBondContact O-N 3.17Å; F1042-K1046 VanDerWaalsContact O-N 3.1Å; T1043-K1046 PolarHBondContact O-N 3.23Å; T1043-K1046 VanDerWaalsContact O-N 3.1Å |
| 1047 | G | 89.1 | Confident | 94.5 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 26% | 0.258 | 17% | 0.167 | S | C | . | . | trans | -94.4 | 172.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | F1042 H1045 I1049 | F1042-G1047 PolarHBondContact O-N 2.75Å; H1045-G1047 VanDerWaalsContact C-N 3.25Å; H1045-G1047 PolarHBondContact O-N 3.11Å; G1047-I1049 PolarHBondContact O-N 3.46Å | ||
| 1048 | S | 92.7 | Very high | 94.4 | Very high | 44 Ų | 44 | 36.2 Ų | 36.2 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | trans | -80.3 | 113.3 | 173.2 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | D1051 R1052 | S1048-D1051 WeakPolarHBondContact CB-OD2 3.19Å; S1048-D1051 WeakPolarHBondContact OG-CB 3.26Å; S1048-D1051 PolarHBondContact OG-N 3.25Å; S1048-D1051 PolarHBondContact OG-OD2 3.18Å; S1048-R1052 VanDerWaalsContact O-CG 3.22Å; S1048-R1052 WeakPolarHBondContact O-CG 3.46Å; S1048-R1052 PolarHBondContact O-N 3Å | ||
| 1049 | I | 94.5 | Very high | 94.3 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -47.5 | 177.4 | -57.2 | 164.9 | 0 | 0 | 0 | 109.8 | I969 A1039 F1042 G1047 D1051 R1052 L1053 F1095 | I969-I1049 HydrophobicContact CD1-CD1 4.07Å; I969-I1049 HydrophobicContact CG1-CD1 4.15Å; A1039-I1049 HydrophobicContact CB-CD1 4.38Å; A1039-I1049 HydrophobicContact CB-CG2 4.28Å; F1042-I1049 HydrophobicContact CB-CG1 4.03Å; G1047-I1049 PolarHBondContact O-N 3.46Å; I1049-D1051 PolarHBondContact O-N 3.01Å; I1049-R1052 PolarHBondContact O-N 3.13Å; I1049-L1053 HydrophobicContact CG2-CD1 3.91Å; I1049-L1053 PolarHBondContact O-N 3.45Å; I1049-F1095 HydrophobicContact CB-CD1 4.5Å; I1049-F1095 HydrophobicContact CB-CE1 4.43Å; I1049-F1095 HydrophobicContact CD1-CE1 4.28Å; I1049-F1095 HydrophobicContact CD1-CZ 4.06Å; I1049-F1095 HydrophobicContact CG2-CD1 4.19Å; I1049-F1095 HydrophobicContact CG2-CD2 3.75Å; I1049-F1095 HydrophobicContact CG2-CE1 4.21Å; I1049-F1095 HydrophobicContact CG2-CE2 3.77Å; I1049-F1095 HydrophobicContact CG2-CG 3.97Å; I1049-F1095 HydrophobicContact CG2-CZ 4Å |
| 1050 | E | 94.3 | Very high | 94.4 | Very high | 90 Ų | 90 | 36.8 Ų | 36.8 | 42% | 0.421 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.4 | -46 | -177.2 | -168.2 | -176.1 | 155.7 | 0 | 0 | 111.8 | R1052 L1053 K1054 | E1050-R1052 VanDerWaalsContact C-N 3.34Å; E1050-R1052 PolarHBondContact O-N 2.87Å; E1050-L1053 PolarHBondContact O-N 2.97Å; E1050-K1054 HydrophobicContact CG-CD 4.16Å; E1050-K1054 WeakPolarHBondContact O-CB 3.37Å; E1050-K1054 VanDerWaalsContact O-CG 3.29Å; E1050-K1054 WeakPolarHBondContact O-CG 3.48Å; E1050-K1054 PolarHBondContact O-N 2.63Å; E1050-K1054 VanDerWaalsContact OE1-CE 3.31Å; E1050-K1054 WeakPolarHBondContact OE1-CE 3.37Å; E1050-K1054 IonicContact OE1-NZ 3.08Å; E1050-K1054 PolarHBondContact OE1-NZ 3.23Å |
| 1051 | D | 94.8 | Very high | 94.3 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.8 | -37.1 | -179.7 | -65.9 | -33.2 | 0 | 0 | 0 | 112.5 | S1048 I1049 E1055 | S1048-D1051 WeakPolarHBondContact CB-OD2 3.19Å; S1048-D1051 WeakPolarHBondContact OG-CB 3.26Å; S1048-D1051 PolarHBondContact OG-N 3.25Å; S1048-D1051 PolarHBondContact OG-OD2 3.18Å; I1049-D1051 PolarHBondContact O-N 3.01Å; D1051-E1055 WeakPolarHBondContact O-CB 3.42Å; D1051-E1055 PolarHBondContact O-N 2.92Å |
| 1052 | R | 96.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 19% | 0.185 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.9 | -35.6 | -179.9 | -63.9 | -69.9 | 86.3 | 79 | 14.6 | 111.6 | Y991 F1042 S1048 I1049 E1050 E1055 F1056 | Y991-R1052 PolarHBondContact OH-NH1 3.05Å; F1042-R1052 HydrophobicContact CD1-CG 3.91Å; F1042-R1052 HydrophobicContact CD2-CB 3.66Å; F1042-R1052 HydrophobicContact CD2-CG 3.84Å; F1042-R1052 HydrophobicContact CE1-CB 4.32Å; F1042-R1052 HydrophobicContact CE1-CG 3.72Å; F1042-R1052 HydrophobicContact CE2-CB 3.35Å; F1042-R1052 HydrophobicContact CE2-CG 3.69Å; F1042-R1052 HydrophobicContact CG-CB 4.31Å; F1042-R1052 HydrophobicContact CG-CG 3.98Å; F1042-R1052 HydrophobicContact CZ-CB 3.71Å; F1042-R1052 HydrophobicContact CZ-CG 3.62Å; S1048-R1052 VanDerWaalsContact O-CG 3.22Å; S1048-R1052 WeakPolarHBondContact O-CG 3.46Å; S1048-R1052 PolarHBondContact O-N 3Å; I1049-R1052 PolarHBondContact O-N 3.13Å; E1050-R1052 VanDerWaalsContact C-N 3.34Å; E1050-R1052 PolarHBondContact O-N 2.87Å; R1052-E1055 IonicContact CZ-OE2 3.06Å; R1052-E1055 IonicContact NE-OE2 2.84Å; R1052-E1055 PolarHBondContact NE-OE2 3.23Å; R1052-E1055 IonicContact NH2-OE2 3.79Å; R1052-E1055 PolarHBondContact NH2-OE2 2.91Å; R1052-F1056 WeakPolarHBondContact O-CB 3.38Å; R1052-F1056 PolarHBondContact O-N 3.46Å |
| 1053 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.6 | -36.1 | 173.2 | -75.2 | 173.9 | 0 | 0 | 0 | 112.4 | I1034 A1038 I1049 E1050 F1056 L1057 F1095 L1096 | I1034-L1053 HydrophobicContact CG2-CD2 4.06Å; A1038-L1053 HydrophobicContact CB-CD1 4.34Å; A1038-L1053 HydrophobicContact CB-CD2 3.65Å; A1038-L1053 HydrophobicContact CB-CG 3.93Å; I1049-L1053 HydrophobicContact CG2-CD1 3.91Å; I1049-L1053 PolarHBondContact O-N 3.45Å; E1050-L1053 PolarHBondContact O-N 2.97Å; L1053-F1056 WeakPolarHBondContact O-CB 3.44Å; L1053-F1056 PolarHBondContact O-N 3.29Å; L1053-L1057 WeakPolarHBondContact O-CB 3.2Å; L1053-L1057 PolarHBondContact O-N 2.91Å; L1053-F1095 HydrophobicContact CD1-CB 3.86Å; L1053-F1095 HydrophobicContact CD1-CD2 3.72Å; L1053-F1095 HydrophobicContact CD1-CG 4.13Å; L1053-L1096 HydrophobicContact CB-CD1 4.3Å; L1053-L1096 HydrophobicContact CB-CD2 3.97Å; L1053-L1096 HydrophobicContact CB-CG 4.16Å |
| 1054 | K | 96.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 38.3 Ų | 38.3 | 34% | 0.339 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 170.4 | -81.3 | 169.9 | 169.8 | 172.6 | 0 | 111.7 | E1050 L1057 A1058 L1096 L1100 | E1050-K1054 HydrophobicContact CG-CD 4.16Å; E1050-K1054 WeakPolarHBondContact O-CB 3.37Å; E1050-K1054 VanDerWaalsContact O-CG 3.29Å; E1050-K1054 WeakPolarHBondContact O-CG 3.48Å; E1050-K1054 PolarHBondContact O-N 2.63Å; E1050-K1054 VanDerWaalsContact OE1-CE 3.31Å; E1050-K1054 WeakPolarHBondContact OE1-CE 3.37Å; E1050-K1054 IonicContact OE1-NZ 3.08Å; E1050-K1054 PolarHBondContact OE1-NZ 3.23Å; K1054-L1057 PolarHBondContact O-N 3.26Å; K1054-A1058 PolarHBondContact O-N 3Å; K1054-L1096 HydrophobicContact CG-CD2 4.37Å; K1054-L1100 HydrophobicContact CB-CD2 4.46Å; K1054-L1100 HydrophobicContact CD-CD2 4.5Å; K1054-L1100 HydrophobicContact CG-CD2 3.57Å |
| 1055 | E | 96.7 | Very high | 94.3 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 175.7 | -179.2 | -179.3 | -178.6 | 0 | 0 | 111.7 | R879 D1051 R1052 L1057 A1058 L1059 | R879-E1055 WeakPolarHBondContact CG-OE1 3.37Å; R879-E1055 IonicContact CZ-OE1 3.81Å; R879-E1055 IonicContact CZ-OE2 3.64Å; R879-E1055 IonicContact NE-OE1 3.22Å; R879-E1055 PolarHBondContact NE-OE1 2.85Å; R879-E1055 IonicContact NE-OE2 3.7Å; R879-E1055 IonicContact NH2-OE1 3.61Å; R879-E1055 PolarHBondContact NH2-OE1 3.24Å; R879-E1055 VanDerWaalsContact NH2-OE1 3.16Å; R879-E1055 IonicContact NH2-OE2 2.72Å; R879-E1055 PolarHBondContact NH2-OE2 3.11Å; D1051-E1055 WeakPolarHBondContact O-CB 3.42Å; D1051-E1055 PolarHBondContact O-N 2.92Å; R1052-E1055 IonicContact CZ-OE2 3.06Å; R1052-E1055 IonicContact NE-OE2 2.84Å; R1052-E1055 PolarHBondContact NE-OE2 3.23Å; R1052-E1055 IonicContact NH2-OE2 3.79Å; R1052-E1055 PolarHBondContact NH2-OE2 2.91Å; E1055-L1057 PolarHBondContact O-N 2.98Å; E1055-A1058 PolarHBondContact O-N 2.88Å; E1055-L1059 WeakPolarHBondContact O-CB 3.49Å; E1055-L1059 PolarHBondContact O-N 2.89Å; E1055-L1059 VanDerWaalsContact O-N 3.12Å |
| 1056 | F | 97.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.6 | -49.8 | 174.3 | 173.1 | -87.1 | 0 | 0 | 0 | 111.6 | M998 V1001 A1002 L1005 I1034 R1052 L1053 A1058 L1059 A1060 I1089 | M998-F1056 HydrophobicContact CB-CB 4.43Å; M998-F1056 HydrophobicContact CB-CD2 4.12Å; M998-F1056 VanDerWaalsContact O-CD2 3.28Å; M998-F1056 WeakPolarHBondContact O-CD2 3.42Å; M998-F1056 HydrophobicContact SD-CD2 4.47Å; V1001-F1056 HydrophobicContact CB-CE2 4.01Å; V1001-F1056 HydrophobicContact CG1-CE2 3.86Å; V1001-F1056 HydrophobicContact CG1-CZ 4.24Å; A1002-F1056 HydrophobicContact CB-CD2 3.74Å; A1002-F1056 HydrophobicContact CB-CE2 3.68Å; A1002-F1056 HydrophobicContact CB-CG 4.46Å; A1002-F1056 HydrophobicContact CB-CZ 4.35Å; L1005-F1056 HydrophobicContact CD1-CZ 4.22Å; I1034-F1056 HydrophobicContact CD1-CE1 4.08Å; I1034-F1056 HydrophobicContact CD1-CE2 4.29Å; I1034-F1056 HydrophobicContact CD1-CZ 3.53Å; I1034-F1056 HydrophobicContact CG1-CE2 4.48Å; I1034-F1056 HydrophobicContact CG1-CZ 4.13Å; I1034-F1056 HydrophobicContact CG2-CD1 4.05Å; I1034-F1056 HydrophobicContact CG2-CD2 4.4Å; I1034-F1056 HydrophobicContact CG2-CE1 3.83Å; I1034-F1056 HydrophobicContact CG2-CE2 4.17Å; I1034-F1056 HydrophobicContact CG2-CG 4.36Å; I1034-F1056 HydrophobicContact CG2-CZ 3.9Å; R1052-F1056 WeakPolarHBondContact O-CB 3.38Å; R1052-F1056 PolarHBondContact O-N 3.46Å; L1053-F1056 WeakPolarHBondContact O-CB 3.44Å; L1053-F1056 PolarHBondContact O-N 3.29Å; F1056-A1058 PolarHBondContact O-N 3.34Å; F1056-L1059 PolarHBondContact O-N 3.48Å; F1056-A1060 HydrophobicContact CE1-CB 4.09Å; F1056-A1060 HydrophobicContact CZ-CB 4.3Å; F1056-A1060 VanDerWaalsContact O-CB 3.27Å; F1056-A1060 WeakPolarHBondContact O-CB 3.3Å; F1056-A1060 PolarHBondContact O-N 3.29Å; F1056-I1089 HydrophobicContact CE1-CD1 4.1Å; F1056-I1089 HydrophobicContact CE1-CG2 4.43Å |
| 1057 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | -175.6 | -176.6 | 63.5 | 0 | 0 | 0 | 111.9 | L1053 K1054 E1055 L1059 A1060 S1061 L1086 V1090 L1096 L1100 L1101 | L1053-L1057 WeakPolarHBondContact O-CB 3.2Å; L1053-L1057 PolarHBondContact O-N 2.91Å; K1054-L1057 PolarHBondContact O-N 3.26Å; E1055-L1057 PolarHBondContact O-N 2.98Å; L1057-L1059 VanDerWaalsContact C-N 3.35Å; L1057-L1059 PolarHBondContact O-N 3.32Å; L1057-A1060 PolarHBondContact O-N 3.47Å; L1057-S1061 WeakPolarHBondContact O-CB 3.36Å; L1057-S1061 PolarHBondContact O-N 3.01Å; L1057-S1061 PolarHBondContact O-OG 3.5Å; L1057-L1086 HydrophobicContact CD1-CD2 4.02Å; L1057-V1090 HydrophobicContact CD1-CG2 4.08Å; L1057-V1090 HydrophobicContact CD2-CG2 3.92Å; L1057-L1096 HydrophobicContact CB-CD2 4.44Å; L1057-L1096 HydrophobicContact CD2-CD1 4.35Å; L1057-L1096 HydrophobicContact CD2-CD2 4.13Å; L1057-L1100 HydrophobicContact CD2-CD2 3.97Å; L1057-L1100 HydrophobicContact CD2-CG 4.12Å; L1057-L1101 HydrophobicContact CD1-CD1 4.01Å; L1057-L1101 HydrophobicContact CD2-CD1 4.41Å |
| 1058 | A | 94.4 | Very high | 94.2 | Very high | 52 Ų | 52 | 33.5 Ų | 33.5 | 43% | 0.43 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1054 E1055 F1056 S1062 | K1054-A1058 PolarHBondContact O-N 3Å; E1055-A1058 PolarHBondContact O-N 2.88Å; F1056-A1058 PolarHBondContact O-N 3.34Å; A1058-S1062 VanDerWaalsContact O-CB 3.25Å; A1058-S1062 WeakPolarHBondContact O-CB 3.15Å; A1058-S1062 PolarHBondContact O-N 2.99Å |
| 1059 | L | 95.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71 | -39.2 | -179.9 | -172.5 | 61.5 | 0 | 0 | 0 | 112.6 | F882 M888 V999 A1002 V1003 E1055 F1056 L1057 S1063 | F882-L1059 HydrophobicContact CB-CD1 3.93Å; M888-L1059 HydrophobicContact CE-CD1 3.97Å; V999-L1059 HydrophobicContact CB-CD2 4.21Å; V999-L1059 HydrophobicContact CG1-CD2 3.83Å; V999-L1059 HydrophobicContact CG2-CD2 4.29Å; A1002-L1059 HydrophobicContact CB-CB 4.05Å; A1002-L1059 HydrophobicContact CB-CD2 3.98Å; A1002-L1059 HydrophobicContact CB-CG 3.99Å; V1003-L1059 HydrophobicContact CG1-CD1 4.14Å; V1003-L1059 HydrophobicContact CG1-CD2 3.79Å; V1003-L1059 HydrophobicContact CG1-CG 3.9Å; E1055-L1059 WeakPolarHBondContact O-CB 3.49Å; E1055-L1059 PolarHBondContact O-N 2.89Å; E1055-L1059 VanDerWaalsContact O-N 3.12Å; F1056-L1059 PolarHBondContact O-N 3.48Å; L1057-L1059 VanDerWaalsContact C-N 3.35Å; L1057-L1059 PolarHBondContact O-N 3.32Å; L1059-S1063 WeakPolarHBondContact O-CB 3.24Å; L1059-S1063 PolarHBondContact O-N 3.3Å; L1059-S1063 PolarHBondContact O-OG 3.17Å |
| 1060 | A | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A1002 L1005 F1056 L1057 S1063 L1064 L1086 | A1002-A1060 HydrophobicContact CB-CB 4.11Å; L1005-A1060 HydrophobicContact CD1-CB 3.99Å; F1056-A1060 HydrophobicContact CE1-CB 4.09Å; F1056-A1060 HydrophobicContact CZ-CB 4.3Å; F1056-A1060 VanDerWaalsContact O-CB 3.27Å; F1056-A1060 WeakPolarHBondContact O-CB 3.3Å; F1056-A1060 PolarHBondContact O-N 3.29Å; L1057-A1060 PolarHBondContact O-N 3.47Å; A1060-S1063 PolarHBondContact O-N 3.35Å; A1060-L1064 WeakPolarHBondContact O-CB 3.3Å; A1060-L1064 WeakPolarHBondContact O-CG 3.32Å; A1060-L1064 PolarHBondContact O-N 3.43Å; A1060-L1086 HydrophobicContact CB-CD2 3.91Å |
| 1061 | S | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | L1057 S1063 L1064 L1065 C1104 | L1057-S1061 WeakPolarHBondContact O-CB 3.36Å; L1057-S1061 PolarHBondContact O-N 3.01Å; L1057-S1061 PolarHBondContact O-OG 3.5Å; S1061-S1063 VanDerWaalsContact C-N 3.32Å; S1061-S1063 PolarHBondContact O-N 3.45Å; S1061-L1064 PolarHBondContact O-N 2.94Å; S1061-L1065 WeakPolarHBondContact O-CB 3.41Å; S1061-L1065 WeakPolarHBondContact O-CG 3.4Å; S1061-L1065 PolarHBondContact O-N 3.22Å; S1061-C1104 WeakPolarHBondContact CB-O 3.4Å; S1061-C1104 PolarHBondContact OG-SG 3.48Å; S1061-C1104 VanDerWaalsContact OG-SG 3.39Å |
| 1062 | S | 93.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.6 | -43 | 175.2 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | A1058 K1066 | A1058-S1062 VanDerWaalsContact O-CB 3.25Å; A1058-S1062 WeakPolarHBondContact O-CB 3.15Å; A1058-S1062 PolarHBondContact O-N 2.99Å; S1062-K1066 WeakPolarHBondContact O-CG 3.41Å; S1062-K1066 PolarHBondContact O-N 3.18Å |
| 1063 | S | 93.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.2 | -39 | 179.8 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | L1059 A1060 S1061 | L1059-S1063 WeakPolarHBondContact O-CB 3.24Å; L1059-S1063 PolarHBondContact O-N 3.3Å; L1059-S1063 PolarHBondContact O-OG 3.17Å; A1060-S1063 PolarHBondContact O-N 3.35Å; S1061-S1063 VanDerWaalsContact C-N 3.32Å; S1061-S1063 PolarHBondContact O-N 3.45Å |
| 1064 | L | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.4 | -30.4 | 178.9 | -73.7 | 172.8 | 0 | 0 | 0 | 113.6 | P1006 A1060 S1061 K1066 I1067 V1082 Y1083 L1086 F1105 | P1006-L1064 HydrophobicContact CB-CD2 4.35Å; P1006-L1064 HydrophobicContact CG-CD2 4.07Å; P1006-L1064 HydrophobicContact CG-CG 4.48Å; A1060-L1064 WeakPolarHBondContact O-CB 3.3Å; A1060-L1064 WeakPolarHBondContact O-CG 3.32Å; A1060-L1064 PolarHBondContact O-N 3.43Å; S1061-L1064 PolarHBondContact O-N 2.94Å; L1064-K1066 VanDerWaalsContact C-N 3.3Å; L1064-K1066 PolarHBondContact O-N 2.91Å; L1064-I1067 HydrophobicContact CD2-CD1 3.95Å; L1064-I1067 WeakPolarHBondContact O-CG1 3.38Å; L1064-V1082 HydrophobicContact CD2-CG1 3.68Å; L1064-Y1083 HydrophobicContact CB-CD1 4.09Å; L1064-Y1083 HydrophobicContact CB-CE1 3.85Å; L1064-Y1083 HydrophobicContact CD2-CD1 4.31Å; L1064-Y1083 HydrophobicContact CD2-CE1 4.34Å; L1064-Y1083 VanDerWaalsContact O-CE1 3.24Å; L1064-Y1083 WeakPolarHBondContact O-CE1 3.39Å; L1064-Y1083 PolarHBondContact O-OH 3.34Å; L1064-L1086 HydrophobicContact CD1-CD1 3.79Å; L1064-L1086 HydrophobicContact CD1-CD2 4.01Å; L1064-L1086 HydrophobicContact CD1-CG 3.73Å; L1064-F1105 HydrophobicContact CB-CE2 4.31Å |
| 1065 | L | 93.1 | Very high | 90.3 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 173.2 | -75.3 | 171.4 | 0 | 0 | 0 | 112.2 | S1061 I1067 G1068 C1104 F1105 L1109 | S1061-L1065 WeakPolarHBondContact O-CB 3.41Å; S1061-L1065 WeakPolarHBondContact O-CG 3.4Å; S1061-L1065 PolarHBondContact O-N 3.22Å; L1065-I1067 PolarHBondContact O-N 2.82Å; L1065-G1068 WeakPolarHBondContact O-CA 3.48Å; L1065-G1068 PolarHBondContact O-N 3.49Å; L1065-C1104 WeakPolarHBondContact CD1-O 3.19Å; L1065-F1105 HydrophobicContact CD1-CD2 4.24Å; L1065-F1105 HydrophobicContact CD2-CD2 3.79Å; L1065-F1105 HydrophobicContact CD2-CE2 3.62Å; L1065-F1105 HydrophobicContact CD2-CZ 4.42Å; L1065-F1105 HydrophobicContact CG-CD2 3.7Å; L1065-F1105 HydrophobicContact CG-CE2 3.78Å; L1065-L1109 HydrophobicContact CD2-CD1 3.55Å |
| 1066 | K | 89.4 | Confident | 90 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 30% | 0.3 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.9 | -72.9 | 167.6 | -172.2 | 173.9 | 0 | 112.1 | S1062 L1064 G1068 Q1069 | S1062-K1066 WeakPolarHBondContact O-CG 3.41Å; S1062-K1066 PolarHBondContact O-N 3.18Å; L1064-K1066 VanDerWaalsContact C-N 3.3Å; L1064-K1066 PolarHBondContact O-N 2.91Å; K1066-G1068 PolarHBondContact O-N 2.7Å; K1066-Q1069 PolarHBondContact O-N 3.1Å |
| 1067 | I | 90.2 | Very high | 89.6 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.5 | 175.6 | 64.9 | 165.5 | 0 | 0 | 0 | 113.1 | P1006 A1009 L1064 L1065 Q1069 E1070 R1079 Y1083 | P1006-I1067 HydrophobicContact CB-CD1 4.16Å; P1006-I1067 HydrophobicContact CB-CG2 3.89Å; A1009-I1067 HydrophobicContact CB-CD1 3.96Å; L1064-I1067 HydrophobicContact CD2-CD1 3.95Å; L1064-I1067 WeakPolarHBondContact O-CG1 3.38Å; L1065-I1067 PolarHBondContact O-N 2.82Å; I1067-Q1069 PolarHBondContact O-N 3.24Å; I1067-E1070 PolarHBondContact O-N 2.99Å; I1067-R1079 HydrophobicContact CD1-CB 4.45Å; I1067-R1079 HydrophobicContact CD1-CG 3.84Å; I1067-R1079 HydrophobicContact CG1-CG 4.17Å; I1067-R1079 WeakPolarHBondContact O-CD 3.48Å; I1067-R1079 PolarHBondContact O-NH1 2.78Å; I1067-Y1083 HydrophobicContact CD1-CE1 4.34Å; I1067-Y1083 HydrophobicContact CG1-CE1 4.3Å |
| 1068 | G | 86.6 | Confident | 89.5 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1065 K1066 R1079 Y1083 | L1065-G1068 WeakPolarHBondContact O-CA 3.48Å; L1065-G1068 PolarHBondContact O-N 3.49Å; K1066-G1068 PolarHBondContact O-N 2.7Å; G1068-R1079 PolarHBondContact O-NH1 2.92Å; G1068-Y1083 WeakPolarHBondContact CA-OH 3.41Å; G1068-Y1083 PolarHBondContact N-OH 3.09Å |
| 1069 | Q | 84.6 | Confident | 89.4 | Confident | 178 Ų | 178 | 62.5 Ų | 62.5 | 83% | 0.832 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -95.7 | -9.1 | 177.4 | -61.1 | 179.2 | 2.5 | 0 | 0 | 112.7 | K1066 I1067 | K1066-Q1069 PolarHBondContact O-N 3.1Å; I1067-Q1069 PolarHBondContact O-N 3.24Å |
| 1070 | E | 85.2 | Confident | 89.3 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | trans | -72.9 | 142.3 | 176 | -73 | 175.3 | -163.8 | 0 | 0 | 111.4 | I1067 T1075 T1076 R1079 | I1067-E1070 PolarHBondContact O-N 2.99Å; E1070-T1075 PolarHBondContact OE2-OG1 3.22Å; E1070-T1075 VanDerWaalsContact OE2-OG1 3.06Å; E1070-T1076 HydrophobicContact CB-CG2 3.6Å; E1070-R1079 PolarHBondContact O-NH1 3Å | ||
| 1071 | T | 84.2 | Confident | 89.3 | Confident | 132 Ų | 132 | 65.8 Ų | 65.8 | 81% | 0.81 | 33% | 0.33 | S | S | * | . | trans | -112.7 | -1.1 | 179 | 58 | 0 | 0 | 0 | 0 | 113.2 | K1073 | T1071-K1073 PolarHBondContact O-N 3.12Š| ||
| 1072 | D | 87.2 | Confident | 89.4 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | trans | -69.4 | 114.8 | 177.4 | 178.1 | 17.1 | 0 | 0 | 0 | 110.2 | M1074 T1075 T1076 | D1072-M1074 PolarHBondContact O-N 3.4Å; D1072-M1074 VanDerWaalsContact O-N 3.13Å; D1072-M1074 PolarHBondContact OD1-N 3.34Å; D1072-M1074 VanDerWaalsContact OD1-N 3.08Å; D1072-T1075 PolarHBondContact O-N 2.63Å; D1072-T1075 PolarHBondContact O-OG1 2.92Å; D1072-T1075 WeakPolarHBondContact OD2-CG2 3.33Å; D1072-T1076 PolarHBondContact O-N 2.63Å; D1072-T1076 PolarHBondContact O-OG1 3.22Å | ||
| 1073 | K | 81.6 | Confident | 89.5 | Confident | 183 Ų | 183 | 64.5 Ų | 64.5 | 80% | 0.796 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.4 | -177.3 | -67.1 | -174.4 | 177.4 | -178.9 | 0 | 112.9 | T1071 R1077 | T1071-K1073 PolarHBondContact O-N 3.12Å; K1073-R1077 WeakPolarHBondContact O-CB 3.49Å; K1073-R1077 PolarHBondContact O-N 3.47Å |
| 1074 | M | 80.1 | Confident | 89.7 | Confident | 135 Ų | 135 | 64 Ų | 64 | 67% | 0.665 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -48.3 | 176.6 | -77.6 | -75.4 | -80.1 | 0 | 0 | 111.6 | S1010 D1072 | S1010-M1074 WeakPolarHBondContact CA-O 3.46Å; D1072-M1074 PolarHBondContact O-N 3.4Å; D1072-M1074 VanDerWaalsContact O-N 3.13Å; D1072-M1074 PolarHBondContact OD1-N 3.34Å; D1072-M1074 VanDerWaalsContact OD1-N 3.08Å |
| 1075 | T | 81.4 | Confident | 89.9 | Confident | 50 Ų | 50 | 64 Ų | 64 | 31% | 0.307 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28.5 | -179.2 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | A1009 E1070 D1072 | A1009-T1075 CarbonylContact C-O 3.59Å; A1009-T1075 VanDerWaalsContact CB-O 3.3Å; A1009-T1075 WeakPolarHBondContact CB-O 3.15Å; E1070-T1075 PolarHBondContact OE2-OG1 3.22Å; E1070-T1075 VanDerWaalsContact OE2-OG1 3.06Å; D1072-T1075 PolarHBondContact O-N 2.63Å; D1072-T1075 PolarHBondContact O-OG1 2.92Å; D1072-T1075 WeakPolarHBondContact OD2-CG2 3.33Å |
| 1076 | T | 89.3 | Confident | 90 | Very high | 23 Ų | 23 | 61 Ų | 61 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 13.8 | -177.5 | 73.2 | 0 | 0 | 0 | 0 | 114.3 | E1070 D1072 N1078 R1079 | E1070-T1076 HydrophobicContact CB-CG2 3.6Å; D1072-T1076 PolarHBondContact O-N 2.63Å; D1072-T1076 PolarHBondContact O-OG1 3.22Å; T1076-N1078 PolarHBondContact O-N 2.95Å; T1076-R1079 WeakPolarHBondContact O-CB 3.35Å; T1076-R1079 PolarHBondContact O-N 3.1Å |
| 1077 | R | 89.9 | Confident | 90.4 | Very high | 146 Ų | 146 | 58.3 Ų | 58.3 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -51.9 | -172.3 | -176.9 | 173.6 | -178.1 | 147.4 | -0.1 | 113.3 | A1009 K1073 | A1009-R1077 PolarHBondContact O-N 2.81Å; K1073-R1077 WeakPolarHBondContact O-CB 3.49Å; K1073-R1077 PolarHBondContact O-N 3.47Å |
| 1078 | N | 93.9 | Very high | 90.7 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 26.6 | -179 | -74 | -29.8 | 0 | 0 | 0 | 111.9 | A1009 N1011 V1012 Q1015 T1076 E1080 S1081 V1082 | A1009-N1078 PolarHBondContact O-N 3.14Å; N1011-N1078 PolarHBondContact O-ND2 3.28Å; V1012-N1078 WeakPolarHBondContact CA-ND2 3.47Å; V1012-N1078 PolarHBondContact O-ND2 3.13Å; Q1015-N1078 PolarHBondContact N-ND2 3.1Å; Q1015-N1078 PolarHBondContact OE1-OD1 3.5Å; Q1015-N1078 VanDerWaalsContact OE1-OD1 3.09Å; T1076-N1078 PolarHBondContact O-N 2.95Å; N1078-E1080 VanDerWaalsContact C-N 3.31Å; N1078-E1080 PolarHBondContact O-N 2.78Å; N1078-S1081 WeakPolarHBondContact O-CB 3.48Å; N1078-S1081 PolarHBondContact O-N 3.02Å; N1078-S1081 VanDerWaalsContact O-N 3.08Å; N1078-V1082 WeakPolarHBondContact O-CG2 3.26Å; N1078-V1082 PolarHBondContact O-N 3.34Å; N1078-V1082 VanDerWaalsContact O-N 3.07Å |
| 1079 | R | 93.6 | Very high | 91.2 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51.4 | -48.5 | -177.9 | 176.5 | 174.1 | 70 | -162.1 | -1.5 | 112.7 | A1009 I1067 G1068 E1070 T1076 S1081 V1082 Y1083 | A1009-R1079 HydrophobicContact CB-CB 4.37Å; I1067-R1079 HydrophobicContact CD1-CB 4.45Å; I1067-R1079 HydrophobicContact CD1-CG 3.84Å; I1067-R1079 HydrophobicContact CG1-CG 4.17Å; I1067-R1079 WeakPolarHBondContact O-CD 3.48Å; I1067-R1079 PolarHBondContact O-NH1 2.78Å; G1068-R1079 PolarHBondContact O-NH1 2.92Å; E1070-R1079 PolarHBondContact O-NH1 3Å; T1076-R1079 WeakPolarHBondContact O-CB 3.35Å; T1076-R1079 PolarHBondContact O-N 3.1Å; R1079-S1081 VanDerWaalsContact C-N 3.34Å; R1079-S1081 PolarHBondContact O-N 3.15Å; R1079-V1082 PolarHBondContact O-N 2.93Å; R1079-Y1083 WeakPolarHBondContact CD-OH 3.34Å; R1079-Y1083 HydrophobicContact CG-CD1 4.34Å; R1079-Y1083 HydrophobicContact CG-CE1 3.69Å; R1079-Y1083 HydrophobicContact CG-CE2 4.03Å; R1079-Y1083 WeakPolarHBondContact O-CD1 3.2Å; R1079-Y1083 PolarHBondContact O-N 3.3Å |
| 1080 | E | 93 | Very high | 91.8 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 36% | 0.36 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.3 | -40.1 | -179.6 | -67.8 | 179.9 | 156.2 | 0 | 0 | 111.7 | N1078 V1082 Y1083 A1113 A1116 | N1078-E1080 VanDerWaalsContact C-N 3.31Å; N1078-E1080 PolarHBondContact O-N 2.78Å; E1080-V1082 VanDerWaalsContact C-N 3.3Å; E1080-V1082 PolarHBondContact O-N 3.25Å; E1080-Y1083 WeakPolarHBondContact O-CB 3.48Å; E1080-Y1083 PolarHBondContact O-N 3.39Å; E1080-A1113 HydrophobicContact CB-CB 3.83Å; E1080-A1113 HydrophobicContact CG-CB 4.41Å; E1080-A1113 WeakPolarHBondContact O-CB 3.49Å; E1080-A1116 WeakPolarHBondContact OE2-CB 3.37Å |
| 1081 | S | 95.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 175.8 | -64 | 0 | 0 | 0 | 0 | 112.5 | S1014 Y1016 H1023 N1078 R1079 L1084 | S1014-S1081 WeakPolarHBondContact O-CB 3.43Å; Y1016-S1081 PolarHBondContact N-OG 2.63Å; H1023-S1081 PolarHBondContact NE2-O 2.91Å; N1078-S1081 WeakPolarHBondContact O-CB 3.48Å; N1078-S1081 PolarHBondContact O-N 3.02Å; N1078-S1081 VanDerWaalsContact O-N 3.08Å; R1079-S1081 VanDerWaalsContact C-N 3.34Å; R1079-S1081 PolarHBondContact O-N 3.15Å; S1081-L1084 WeakPolarHBondContact O-CB 3.44Å; S1081-L1084 PolarHBondContact O-N 3.28Å |
| 1082 | V | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.8 | -29.5 | 178.3 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | L1008 A1009 I1027 L1064 N1078 R1079 E1080 L1084 L1085 | L1008-V1082 HydrophobicContact CB-CG1 4.31Å; L1008-V1082 HydrophobicContact CB-CG2 3.81Å; A1009-V1082 HydrophobicContact CB-CG2 4.18Å; I1027-V1082 HydrophobicContact CD1-CG2 4.42Å; L1064-V1082 HydrophobicContact CD2-CG1 3.68Å; N1078-V1082 WeakPolarHBondContact O-CG2 3.26Å; N1078-V1082 PolarHBondContact O-N 3.34Å; N1078-V1082 VanDerWaalsContact O-N 3.07Å; R1079-V1082 PolarHBondContact O-N 2.93Å; E1080-V1082 VanDerWaalsContact C-N 3.3Å; E1080-V1082 PolarHBondContact O-N 3.25Å; V1082-L1084 PolarHBondContact O-N 3.42Å; V1082-L1085 HydrophobicContact CG1-CD1 4.17Å; V1082-L1085 VanDerWaalsContact O-CB 3.3Å; V1082-L1085 WeakPolarHBondContact O-CB 3.44Å; V1082-L1085 PolarHBondContact O-N 2.98Å; V1082-L1085 VanDerWaalsContact O-N 3.07Å |
| 1083 | Y | 97.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -36.2 | 172.5 | -69.5 | -8.8 | 0 | 0 | 0 | 112.2 | L1064 I1067 G1068 R1079 E1080 L1085 L1086 F1105 L1110 | L1064-Y1083 HydrophobicContact CB-CD1 4.09Å; L1064-Y1083 HydrophobicContact CB-CE1 3.85Å; L1064-Y1083 HydrophobicContact CD2-CD1 4.31Å; L1064-Y1083 HydrophobicContact CD2-CE1 4.34Å; L1064-Y1083 VanDerWaalsContact O-CE1 3.24Å; L1064-Y1083 WeakPolarHBondContact O-CE1 3.39Å; L1064-Y1083 PolarHBondContact O-OH 3.34Å; I1067-Y1083 HydrophobicContact CD1-CE1 4.34Å; I1067-Y1083 HydrophobicContact CG1-CE1 4.3Å; G1068-Y1083 WeakPolarHBondContact CA-OH 3.41Å; G1068-Y1083 PolarHBondContact N-OH 3.09Å; R1079-Y1083 WeakPolarHBondContact CD-OH 3.34Å; R1079-Y1083 HydrophobicContact CG-CD1 4.34Å; R1079-Y1083 HydrophobicContact CG-CE1 3.69Å; R1079-Y1083 HydrophobicContact CG-CE2 4.03Å; R1079-Y1083 WeakPolarHBondContact O-CD1 3.2Å; R1079-Y1083 PolarHBondContact O-N 3.3Å; E1080-Y1083 WeakPolarHBondContact O-CB 3.48Å; E1080-Y1083 PolarHBondContact O-N 3.39Å; Y1083-L1085 PolarHBondContact O-N 2.77Å; Y1083-L1085 VanDerWaalsContact O-N 3.1Å; Y1083-L1086 PolarHBondContact O-N 2.96Å; Y1083-F1105 HydrophobicContact CD1-CE2 4.42Å; Y1083-F1105 AromaticContact CD1-CZ 3.94Å; Y1083-F1105 HydrophobicContact CD1-CZ 3.94Å; Y1083-F1105 HydrophobicContact CD2-CE1 4.49Å; Y1083-F1105 AromaticContact CD2-CZ 3.81Å; Y1083-F1105 HydrophobicContact CD2-CZ 3.81Å; Y1083-F1105 HydrophobicContact CE1-CE2 4.43Å; Y1083-F1105 HydrophobicContact CE1-CZ 4.2Å; Y1083-F1105 HydrophobicContact CE2-CZ 4.08Å; Y1083-F1105 HydrophobicContact CG-CE1 4.42Å; Y1083-F1105 AromaticContact CG-CZ 3.71Å; Y1083-F1105 HydrophobicContact CG-CZ 3.71Å; Y1083-L1110 WeakPolarHBondContact O-CD2 3.26Å |
| 1084 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -19 | 178.4 | -53.7 | -176.3 | 0 | 0 | 0 | 113.3 | Y1016 S1081 V1082 L1086 D1087 M1088 A1113 Y1114 V1117 | Y1016-L1084 HydrophobicContact CD1-CD1 4.08Å; Y1016-L1084 HydrophobicContact CD2-CD1 3.87Å; Y1016-L1084 HydrophobicContact CE2-CD1 4.31Å; Y1016-L1084 HydrophobicContact CG-CD1 3.72Å; S1081-L1084 WeakPolarHBondContact O-CB 3.44Å; S1081-L1084 PolarHBondContact O-N 3.28Å; V1082-L1084 PolarHBondContact O-N 3.42Å; L1084-L1086 VanDerWaalsContact C-N 3.27Å; L1084-L1086 PolarHBondContact O-N 3.03Å; L1084-D1087 PolarHBondContact O-N 3.42Å; L1084-M1088 HydrophobicContact CB-CE 4.46Å; L1084-M1088 WeakPolarHBondContact O-CG 3.28Å; L1084-M1088 PolarHBondContact O-N 2.9Å; L1084-M1088 VanDerWaalsContact O-N 3.07Å; L1084-A1113 HydrophobicContact CD2-CB 3.69Å; L1084-A1113 HydrophobicContact CG-CB 4.33Å; L1084-Y1114 HydrophobicContact CD1-CD1 3.88Å; L1084-Y1114 HydrophobicContact CD1-CE1 3.83Å; L1084-Y1114 HydrophobicContact CD2-CD1 3.88Å; L1084-Y1114 HydrophobicContact CD2-CD2 3.73Å; L1084-Y1114 HydrophobicContact CD2-CE1 3.84Å; L1084-Y1114 HydrophobicContact CD2-CE2 3.67Å; L1084-Y1114 HydrophobicContact CD2-CG 3.82Å; L1084-Y1114 HydrophobicContact CG-CE1 4.3Å; L1084-V1117 HydrophobicContact CD1-CG2 3.95Å |
| 1085 | L | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -34.1 | 173.1 | -67.1 | 179.8 | 0 | 0 | 0 | 112.3 | L1008 I1027 L1030 V1082 Y1083 D1087 M1088 I1089 | L1008-L1085 HydrophobicContact CD1-CD1 3.89Å; I1027-L1085 HydrophobicContact CD1-CD1 4.2Å; I1027-L1085 HydrophobicContact CG1-CD1 4.45Å; I1027-L1085 HydrophobicContact CG1-CD2 4.25Å; I1027-L1085 VanDerWaalsContact O-CD2 3.24Å; I1027-L1085 WeakPolarHBondContact O-CD2 3.31Å; L1030-L1085 HydrophobicContact CD1-CD1 4.42Å; V1082-L1085 HydrophobicContact CG1-CD1 4.17Å; V1082-L1085 VanDerWaalsContact O-CB 3.3Å; V1082-L1085 WeakPolarHBondContact O-CB 3.44Å; V1082-L1085 PolarHBondContact O-N 2.98Å; V1082-L1085 VanDerWaalsContact O-N 3.07Å; Y1083-L1085 PolarHBondContact O-N 2.77Å; Y1083-L1085 VanDerWaalsContact O-N 3.1Å; L1085-D1087 VanDerWaalsContact C-N 3.33Å; L1085-M1088 HydrophobicContact CD2-SD 4.11Å; L1085-M1088 PolarHBondContact O-N 3.16Å; L1085-I1089 HydrophobicContact CB-CD1 4.43Å; L1085-I1089 WeakPolarHBondContact O-CB 3.39Å; L1085-I1089 VanDerWaalsContact O-CD1 3.26Å; L1085-I1089 WeakPolarHBondContact O-CD1 3.35Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.49Å; L1085-I1089 PolarHBondContact O-N 3.36Å |
| 1086 | L | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 178 | -65.5 | 179.4 | 0 | 0 | 0 | 111.3 | L1057 A1060 L1064 Y1083 L1084 V1090 L1101 F1105 | L1057-L1086 HydrophobicContact CD1-CD2 4.02Å; A1060-L1086 HydrophobicContact CB-CD2 3.91Å; L1064-L1086 HydrophobicContact CD1-CD1 3.79Å; L1064-L1086 HydrophobicContact CD1-CD2 4.01Å; L1064-L1086 HydrophobicContact CD1-CG 3.73Å; Y1083-L1086 PolarHBondContact O-N 2.96Å; L1084-L1086 VanDerWaalsContact C-N 3.27Å; L1084-L1086 PolarHBondContact O-N 3.03Å; L1086-V1090 WeakPolarHBondContact O-CG2 3.46Å; L1086-V1090 PolarHBondContact O-N 2.78Å; L1086-L1101 HydrophobicContact CB-CD1 4.07Å; L1086-F1105 HydrophobicContact CD1-CB 4.14Å; L1086-F1105 HydrophobicContact CD1-CD1 4.06Å; L1086-F1105 HydrophobicContact CD1-CD2 3.53Å; L1086-F1105 HydrophobicContact CD1-CE1 4.35Å; L1086-F1105 HydrophobicContact CD1-CE2 3.87Å; L1086-F1105 HydrophobicContact CD1-CG 3.63Å; L1086-F1105 HydrophobicContact CD1-CZ 4.27Å |
| 1087 | D | 97.1 | Very high | 95.5 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 173.7 | -167.7 | 73.3 | 0 | 0 | 0 | 110.7 | L1084 L1085 I1089 V1090 Q1091 M1098 L1110 Y1114 | L1084-D1087 PolarHBondContact O-N 3.42Å; L1085-D1087 VanDerWaalsContact C-N 3.33Å; D1087-I1089 PolarHBondContact O-N 2.95Å; D1087-V1090 PolarHBondContact O-N 3.43Å; D1087-Q1091 VanDerWaalsContact O-CG 3.31Å; D1087-Q1091 WeakPolarHBondContact O-CG 3.43Å; D1087-Q1091 PolarHBondContact O-N 3.33Å; D1087-M1098 WeakPolarHBondContact OD1-CE 3.46Å; D1087-L1110 HydrophobicContact CB-CD1 4.16Å; D1087-Y1114 PolarHBondContact OD2-OH 3.12Å |
| 1088 | M | 97.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 33 Ų | 33 | 14% | 0.138 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 178.8 | -65.8 | 170.5 | -178.1 | 0 | 0 | 113 | Y1016 H1028 A1031 L1084 L1085 V1090 Q1091 E1092 | Y1016-M1088 HydrophobicContact CD2-CE 3.74Å; Y1016-M1088 HydrophobicContact CE2-CE 3.32Å; H1028-M1088 HydrophobicContact CB-CE 4.11Å; H1028-M1088 HydrophobicContact CB-SD 3.53Å; H1028-M1088 VanDerWaalsContact CB-SD 3.53Å; A1031-M1088 HydrophobicContact CB-CB 3.87Å; L1084-M1088 HydrophobicContact CB-CE 4.46Å; L1084-M1088 WeakPolarHBondContact O-CG 3.28Å; L1084-M1088 PolarHBondContact O-N 2.9Å; L1084-M1088 VanDerWaalsContact O-N 3.07Å; L1085-M1088 HydrophobicContact CD2-SD 4.11Å; L1085-M1088 PolarHBondContact O-N 3.16Å; M1088-V1090 VanDerWaalsContact C-N 3.31Å; M1088-V1090 PolarHBondContact O-N 3.21Å; M1088-Q1091 PolarHBondContact O-N 3.43Å; M1088-E1092 VanDerWaalsContact O-CB 3.24Å; M1088-E1092 WeakPolarHBondContact O-CB 3.39Å; M1088-E1092 PolarHBondContact O-N 2.94Å |
| 1089 | I | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 178.1 | -73 | 158.2 | 0 | 0 | 0 | 110.8 | A1031 I1034 F1056 L1085 D1087 S1093 L1096 | A1031-I1089 HydrophobicContact CB-CG1 3.95Å; I1034-I1089 HydrophobicContact CD1-CD1 3.74Å; I1034-I1089 HydrophobicContact CD1-CG1 4.11Å; F1056-I1089 HydrophobicContact CE1-CD1 4.1Å; F1056-I1089 HydrophobicContact CE1-CG2 4.43Å; L1085-I1089 HydrophobicContact CB-CD1 4.43Å; L1085-I1089 WeakPolarHBondContact O-CB 3.39Å; L1085-I1089 VanDerWaalsContact O-CD1 3.26Å; L1085-I1089 WeakPolarHBondContact O-CD1 3.35Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.49Å; L1085-I1089 PolarHBondContact O-N 3.36Å; D1087-I1089 PolarHBondContact O-N 2.95Å; I1089-S1093 WeakPolarHBondContact O-CB 3.41Å; I1089-S1093 PolarHBondContact O-N 3.16Å; I1089-L1096 HydrophobicContact CG2-CD1 3.99Å |
| 1090 | V | 97.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.4 | -38.6 | -179.8 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L1057 L1086 D1087 M1088 S1093 L1096 M1098 L1101 | L1057-V1090 HydrophobicContact CD1-CG2 4.08Å; L1057-V1090 HydrophobicContact CD2-CG2 3.92Å; L1086-V1090 WeakPolarHBondContact O-CG2 3.46Å; L1086-V1090 PolarHBondContact O-N 2.78Å; D1087-V1090 PolarHBondContact O-N 3.43Å; M1088-V1090 VanDerWaalsContact C-N 3.31Å; M1088-V1090 PolarHBondContact O-N 3.21Å; V1090-S1093 PolarHBondContact O-N 2.95Å; V1090-L1096 HydrophobicContact CB-CB 4.48Å; V1090-L1096 HydrophobicContact CG1-CB 4.28Å; V1090-L1096 HydrophobicContact CG2-CB 4.18Å; V1090-L1096 HydrophobicContact CG2-CD1 4.25Å; V1090-M1098 HydrophobicContact CB-CE 4.4Å; V1090-M1098 HydrophobicContact CG1-CE 4.05Å; V1090-M1098 HydrophobicContact CG1-CG 4.35Å; V1090-M1098 HydrophobicContact CG1-SD 3.9Å; V1090-L1101 HydrophobicContact CB-CD2 4.29Å; V1090-L1101 HydrophobicContact CG1-CB 4.49Å; V1090-L1101 HydrophobicContact CG2-CB 4.11Å; V1090-L1101 HydrophobicContact CG2-CD1 4.22Å; V1090-L1101 HydrophobicContact CG2-CD2 4.05Å; V1090-L1101 HydrophobicContact CG2-CG 4.36Å |
| 1091 | Q | 94.3 | Very high | 95.8 | Very high | 134 Ų | 134 | 35.1 Ų | 35.1 | 63% | 0.626 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -65.5 | -38 | 175.2 | -70.1 | -71.3 | -1.7 | 0 | 0 | 112.9 | D1087 M1088 M1098 | D1087-Q1091 VanDerWaalsContact O-CG 3.31Å; D1087-Q1091 WeakPolarHBondContact O-CG 3.43Å; D1087-Q1091 PolarHBondContact O-N 3.33Å; M1088-Q1091 PolarHBondContact O-N 3.43Å; Q1091-M1098 HydrophobicContact CG-CE 3.7Å |
| 1092 | E | 95.5 | Very high | 95.7 | Very high | 72 Ų | 72 | 39.4 Ų | 39.4 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -79.4 | -19.8 | -178.6 | -173 | 68.3 | -154.1 | 0 | 0 | 112.9 | A1031 K1032 N1035 M1088 | A1031-E1092 HydrophobicContact CB-CB 4.16Å; A1031-E1092 HydrophobicContact CB-CG 4.48Å; K1032-E1092 HydrophobicContact CB-CG 4.16Å; K1032-E1092 WeakPolarHBondContact CE-OE1 3.39Å; K1032-E1092 HydrophobicContact CG-CG 4.47Å; K1032-E1092 IonicContact NZ-OE1 3.6Å; K1032-E1092 PolarHBondContact NZ-OE1 3.39Å; K1032-E1092 IonicContact NZ-OE2 3.99Å; N1035-E1092 PolarHBondContact ND2-O 2.91Å; N1035-E1092 VanDerWaalsContact ND2-O 3.13Å; M1088-E1092 VanDerWaalsContact O-CB 3.24Å; M1088-E1092 WeakPolarHBondContact O-CB 3.39Å; M1088-E1092 PolarHBondContact O-N 2.94Å |
| 1093 | S | 96.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | trans | -99 | 119.1 | -174.9 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | N1035 I1089 V1090 F1095 L1096 | N1035-S1093 PolarHBondContact OD1-OG 3.47Å; I1089-S1093 WeakPolarHBondContact O-CB 3.41Å; I1089-S1093 PolarHBondContact O-N 3.16Å; V1090-S1093 PolarHBondContact O-N 2.95Å; S1093-F1095 PolarHBondContact O-N 3Å; S1093-F1095 VanDerWaalsContact O-N 3.16Å; S1093-F1095 PolarHBondContact OG-N 3.16Å; S1093-L1096 PolarHBondContact O-N 3.11Å | ||
| 1094 | P | 93.4 | Very high | 95.4 | Very high | 84 Ų | 84 | 44.8 Ų | 44.8 | 55% | 0.545 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -5.7 | 173.2 | 31.8 | -35 | 0 | 0 | 0 | 113 | E968 | E968-P1094 HydrophobicContact CG-CG 4.45Š|
| 1095 | F | 94.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -6 | -178 | -50.1 | -75.3 | 0 | 0 | 0 | 113.2 | E968 A1039 I1049 L1053 S1093 | E968-F1095 HydrophobicContact CB-CZ 4.38Å; A1039-F1095 HydrophobicContact CB-CE2 4.09Å; I1049-F1095 HydrophobicContact CB-CD1 4.5Å; I1049-F1095 HydrophobicContact CB-CE1 4.43Å; I1049-F1095 HydrophobicContact CD1-CE1 4.28Å; I1049-F1095 HydrophobicContact CD1-CZ 4.06Å; I1049-F1095 HydrophobicContact CG2-CD1 4.19Å; I1049-F1095 HydrophobicContact CG2-CD2 3.75Å; I1049-F1095 HydrophobicContact CG2-CE1 4.21Å; I1049-F1095 HydrophobicContact CG2-CE2 3.77Å; I1049-F1095 HydrophobicContact CG2-CG 3.97Å; I1049-F1095 HydrophobicContact CG2-CZ 4Å; L1053-F1095 HydrophobicContact CD1-CB 3.86Å; L1053-F1095 HydrophobicContact CD1-CD2 3.72Å; L1053-F1095 HydrophobicContact CD1-CG 4.13Å; S1093-F1095 PolarHBondContact O-N 3Å; S1093-F1095 VanDerWaalsContact O-N 3.16Å; S1093-F1095 PolarHBondContact OG-N 3.16Å |
| 1096 | L | 95.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | trans | -119 | 148 | 179 | -63.9 | 174.4 | 0 | 0 | 0 | 109.7 | L1053 K1054 L1057 I1089 V1090 S1093 L1100 | L1053-L1096 HydrophobicContact CB-CD1 4.3Å; L1053-L1096 HydrophobicContact CB-CD2 3.97Å; L1053-L1096 HydrophobicContact CB-CG 4.16Å; K1054-L1096 HydrophobicContact CG-CD2 4.37Å; L1057-L1096 HydrophobicContact CB-CD2 4.44Å; L1057-L1096 HydrophobicContact CD2-CD1 4.35Å; L1057-L1096 HydrophobicContact CD2-CD2 4.13Å; I1089-L1096 HydrophobicContact CG2-CD1 3.99Å; V1090-L1096 HydrophobicContact CB-CB 4.48Å; V1090-L1096 HydrophobicContact CG1-CB 4.28Å; V1090-L1096 HydrophobicContact CG2-CB 4.18Å; V1090-L1096 HydrophobicContact CG2-CD1 4.25Å; S1093-L1096 PolarHBondContact O-N 3.11Å; L1096-L1100 HydrophobicContact CD2-CD2 3.68Å | ||
| 1097 | T | 95.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 52 Ų | 52 | 47% | 0.466 | 28% | 0.278 | S | S | . | . | trans | -123.5 | 155.8 | -180 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | D1099 L1100 L1101 | T1097-D1099 VanDerWaalsContact C-N 3.26Å; T1097-D1099 PolarHBondContact O-N 2.96Å; T1097-L1100 WeakPolarHBondContact O-CB 3.36Å; T1097-L1100 PolarHBondContact O-N 3.5Å; T1097-L1100 PolarHBondContact OG1-N 3.21Å; T1097-L1101 PolarHBondContact O-N 3.43Å; T1097-L1101 VanDerWaalsContact O-N 3.09Å | ||
| 1098 | M | 94.3 | Very high | 95 | Very high | 64 Ų | 64 | 55 Ų | 55 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -32.5 | 175.6 | -76.4 | -61.2 | 176.8 | 0 | 0 | 112.7 | D1087 V1090 Q1091 L1100 L1101 E1102 | D1087-M1098 WeakPolarHBondContact OD1-CE 3.46Å; V1090-M1098 HydrophobicContact CB-CE 4.4Å; V1090-M1098 HydrophobicContact CG1-CE 4.05Å; V1090-M1098 HydrophobicContact CG1-CG 4.35Å; V1090-M1098 HydrophobicContact CG1-SD 3.9Å; Q1091-M1098 HydrophobicContact CG-CE 3.7Å; M1098-L1100 VanDerWaalsContact C-N 3.3Å; M1098-L1100 PolarHBondContact O-N 3.24Å; M1098-L1101 PolarHBondContact O-N 3.2Å; M1098-L1101 HydrophobicContact SD-CD2 3.78Å; M1098-E1102 PolarHBondContact O-N 2.93Å |
| 1099 | D | 94.4 | Very high | 94.9 | Very high | 134 Ų | 134 | 56.5 Ų | 56.5 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 174.4 | -54.1 | -90.4 | 0 | 0 | 0 | 112 | T1097 S1103 | T1097-D1099 VanDerWaalsContact C-N 3.26Å; T1097-D1099 PolarHBondContact O-N 2.96Å; D1099-S1103 PolarHBondContact O-N 3.04Å |
| 1100 | L | 93.8 | Very high | 94.8 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 175.5 | 177.8 | 69.4 | 0 | 0 | 0 | 110.7 | K1054 L1057 L1096 T1097 M1098 E1102 S1103 C1104 | K1054-L1100 HydrophobicContact CB-CD2 4.46Å; K1054-L1100 HydrophobicContact CD-CD2 4.5Å; K1054-L1100 HydrophobicContact CG-CD2 3.57Å; L1057-L1100 HydrophobicContact CD2-CD2 3.97Å; L1057-L1100 HydrophobicContact CD2-CG 4.12Å; L1096-L1100 HydrophobicContact CD2-CD2 3.68Å; T1097-L1100 WeakPolarHBondContact O-CB 3.36Å; T1097-L1100 PolarHBondContact O-N 3.5Å; T1097-L1100 PolarHBondContact OG1-N 3.21Å; M1098-L1100 VanDerWaalsContact C-N 3.3Å; M1098-L1100 PolarHBondContact O-N 3.24Å; L1100-E1102 PolarHBondContact O-N 2.72Å; L1100-S1103 WeakPolarHBondContact O-CB 3.33Å; L1100-S1103 PolarHBondContact O-N 3.14Å; L1100-S1103 PolarHBondContact O-OG 3Å; L1100-C1104 PolarHBondContact O-SG 2.87Å |
| 1101 | L | 95.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 176.7 | -178.2 | 60.7 | 0 | 0 | 0 | 111.4 | L1057 L1086 V1090 T1097 M1098 S1103 C1104 F1105 L1110 | L1057-L1101 HydrophobicContact CD1-CD1 4.01Å; L1057-L1101 HydrophobicContact CD2-CD1 4.41Å; L1086-L1101 HydrophobicContact CB-CD1 4.07Å; V1090-L1101 HydrophobicContact CB-CD2 4.29Å; V1090-L1101 HydrophobicContact CG1-CB 4.49Å; V1090-L1101 HydrophobicContact CG2-CB 4.11Å; V1090-L1101 HydrophobicContact CG2-CD1 4.22Å; V1090-L1101 HydrophobicContact CG2-CD2 4.05Å; V1090-L1101 HydrophobicContact CG2-CG 4.36Å; T1097-L1101 PolarHBondContact O-N 3.43Å; T1097-L1101 VanDerWaalsContact O-N 3.09Å; M1098-L1101 PolarHBondContact O-N 3.2Å; M1098-L1101 HydrophobicContact SD-CD2 3.78Å; L1101-S1103 PolarHBondContact O-N 3.27Å; L1101-C1104 PolarHBondContact O-N 2.89Å; L1101-C1104 PolarHBondContact O-SG 2.84Å; L1101-F1105 HydrophobicContact CD1-CB 3.95Å; L1101-F1105 CarbonylContact O-C 3.59Å; L1101-F1105 WeakPolarHBondContact O-CA 3.29Å; L1101-F1105 PolarHBondContact O-N 3.49Å; L1101-F1105 VanDerWaalsContact O-O 3.1Å; L1101-L1110 HydrophobicContact CD2-CD1 3.81Å |
| 1102 | E | 93.8 | Very high | 94.6 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.7 | -35.1 | 180 | -175.9 | 61.4 | -158.3 | 0 | 0 | 111.9 | M1098 L1100 C1104 Y1107 | M1098-E1102 PolarHBondContact O-N 2.93Å; L1100-E1102 PolarHBondContact O-N 2.72Å; E1102-C1104 VanDerWaalsContact C-N 3.29Å; E1102-C1104 PolarHBondContact O-N 3.2Å; E1102-Y1107 WeakPolarHBondContact OE2-CB 3.46Å; E1102-Y1107 PolarHBondContact OE2-N 3.04Å |
| 1103 | S | 94.3 | Very high | 94.5 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.1 | -26.3 | 179.7 | 80.1 | 0 | 0 | 0 | 0 | 114 | D1099 L1100 L1101 | D1099-S1103 PolarHBondContact O-N 3.04Å; L1100-S1103 WeakPolarHBondContact O-CB 3.33Å; L1100-S1103 PolarHBondContact O-N 3.14Å; L1100-S1103 PolarHBondContact O-OG 3Å; L1101-S1103 PolarHBondContact O-N 3.27Å |
| 1104 | C | 93.2 | Very high | 94.4 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -117.5 | -15.9 | -177.1 | 64.2 | 0 | 0 | 0 | 0 | 114.5 | S1061 L1065 L1100 L1101 E1102 | S1061-C1104 WeakPolarHBondContact CB-O 3.4Å; S1061-C1104 PolarHBondContact OG-SG 3.48Å; S1061-C1104 VanDerWaalsContact OG-SG 3.39Å; L1065-C1104 WeakPolarHBondContact CD1-O 3.19Å; L1100-C1104 PolarHBondContact O-SG 2.87Å; L1101-C1104 PolarHBondContact O-N 2.89Å; L1101-C1104 PolarHBondContact O-SG 2.84Å; E1102-C1104 VanDerWaalsContact C-N 3.29Å; E1102-C1104 PolarHBondContact O-N 3.2Å |
| 1105 | F | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -150.3 | 102.9 | 177.8 | -161.6 | -88 | 0 | 0 | 0 | 110.4 | L1064 L1065 Y1083 L1086 L1101 Y1107 L1109 L1110 | L1064-F1105 HydrophobicContact CB-CE2 4.31Å; L1065-F1105 HydrophobicContact CD1-CD2 4.24Å; L1065-F1105 HydrophobicContact CD2-CD2 3.79Å; L1065-F1105 HydrophobicContact CD2-CE2 3.62Å; L1065-F1105 HydrophobicContact CD2-CZ 4.42Å; L1065-F1105 HydrophobicContact CG-CD2 3.7Å; L1065-F1105 HydrophobicContact CG-CE2 3.78Å; Y1083-F1105 HydrophobicContact CD1-CE2 4.42Å; Y1083-F1105 AromaticContact CD1-CZ 3.94Å; Y1083-F1105 HydrophobicContact CD1-CZ 3.94Å; Y1083-F1105 HydrophobicContact CD2-CE1 4.49Å; Y1083-F1105 AromaticContact CD2-CZ 3.81Å; Y1083-F1105 HydrophobicContact CD2-CZ 3.81Å; Y1083-F1105 HydrophobicContact CE1-CE2 4.43Å; Y1083-F1105 HydrophobicContact CE1-CZ 4.2Å; Y1083-F1105 HydrophobicContact CE2-CZ 4.08Å; Y1083-F1105 HydrophobicContact CG-CE1 4.42Å; Y1083-F1105 AromaticContact CG-CZ 3.71Å; Y1083-F1105 HydrophobicContact CG-CZ 3.71Å; L1086-F1105 HydrophobicContact CD1-CB 4.14Å; L1086-F1105 HydrophobicContact CD1-CD1 4.06Å; L1086-F1105 HydrophobicContact CD1-CD2 3.53Å; L1086-F1105 HydrophobicContact CD1-CE1 4.35Å; L1086-F1105 HydrophobicContact CD1-CE2 3.87Å; L1086-F1105 HydrophobicContact CD1-CG 3.63Å; L1086-F1105 HydrophobicContact CD1-CZ 4.27Å; L1101-F1105 HydrophobicContact CD1-CB 3.95Å; L1101-F1105 CarbonylContact O-C 3.59Å; L1101-F1105 WeakPolarHBondContact O-CA 3.29Å; L1101-F1105 PolarHBondContact O-N 3.49Å; L1101-F1105 VanDerWaalsContact O-O 3.1Å; F1105-Y1107 PolarHBondContact O-N 3.5Å; F1105-L1109 HydrophobicContact CD1-CB 4.48Å; F1105-L1109 HydrophobicContact CD1-CD1 4.47Å; F1105-L1109 HydrophobicContact CE1-CB 3.66Å; F1105-L1109 HydrophobicContact CE1-CD1 3.93Å; F1105-L1109 HydrophobicContact CE1-CG 4.44Å; F1105-L1109 HydrophobicContact CE2-CD1 4.17Å; F1105-L1109 HydrophobicContact CZ-CB 4.05Å; F1105-L1109 HydrophobicContact CZ-CD1 3.76Å; F1105-L1110 HydrophobicContact CD1-CD1 4.24Å; F1105-L1110 HydrophobicContact CD1-CD2 4.09Å; F1105-L1110 HydrophobicContact CD1-CG 3.95Å; F1105-L1110 HydrophobicContact CE1-CD2 3.67Å; F1105-L1110 HydrophobicContact CE1-CG 3.81Å |
| 1106 | P | 94.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | trans | -60.7 | 129.7 | -174.4 | -25.2 | 34 | 0 | 0 | 0 | 113.3 | V1108 L1109 | P1106-V1108 HydrophobicContact CB-CG2 3.9Å; P1106-V1108 PolarHBondContact O-N 2.99Å; P1106-L1109 WeakPolarHBondContact O-CB 3.39Å; P1106-L1109 PolarHBondContact O-N 3.31Å | ||
| 1107 | Y | 94.3 | Very high | 94 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -21.7 | -176.4 | -168.8 | -96.5 | 0 | 0 | 0 | 113.3 | E1102 F1105 L1109 L1110 R1111 | E1102-Y1107 WeakPolarHBondContact OE2-CB 3.46Å; E1102-Y1107 PolarHBondContact OE2-N 3.04Å; F1105-Y1107 PolarHBondContact O-N 3.5Å; Y1107-L1109 PolarHBondContact O-N 3.5Å; Y1107-L1110 HydrophobicContact CD2-CB 4.2Å; Y1107-L1110 HydrophobicContact CD2-CD1 3.79Å; Y1107-L1110 HydrophobicContact CE2-CB 4.33Å; Y1107-L1110 HydrophobicContact CE2-CD1 4.23Å; Y1107-L1110 WeakPolarHBondContact O-CB 3.43Å; Y1107-L1110 PolarHBondContact O-N 2.87Å; Y1107-R1111 HydrophobicContact CD1-CB 4.31Å; Y1107-R1111 HydrophobicContact CE1-CB 4.25Å; Y1107-R1111 WeakPolarHBondContact O-CB 3.49Å; Y1107-R1111 PolarHBondContact O-N 3.16Å |
| 1108 | V | 94.5 | Very high | 93.7 | Very high | 73 Ų | 73 | 60.1 Ų | 60.1 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.8 | -30.6 | 173.3 | -65.2 | 0 | 0 | 0 | 0 | 113 | P1106 N1112 | P1106-V1108 HydrophobicContact CB-CG2 3.9Å; P1106-V1108 PolarHBondContact O-N 2.99Å; V1108-N1112 WeakPolarHBondContact O-CB 3.34Å; V1108-N1112 VanDerWaalsContact O-CG 3.22Å; V1108-N1112 PolarHBondContact O-N 3.48Å; V1108-N1112 VanDerWaalsContact O-N 3.13Å; V1108-N1112 PolarHBondContact O-OD1 3.06Å |
| 1109 | L | 94.5 | Very high | 93.3 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 174.4 | -64.5 | 177.3 | 0 | 0 | 0 | 110.8 | L1065 F1105 P1106 Y1107 N1112 A1113 | L1065-L1109 HydrophobicContact CD2-CD1 3.55Å; F1105-L1109 HydrophobicContact CD1-CB 4.48Å; F1105-L1109 HydrophobicContact CD1-CD1 4.47Å; F1105-L1109 HydrophobicContact CE1-CB 3.66Å; F1105-L1109 HydrophobicContact CE1-CD1 3.93Å; F1105-L1109 HydrophobicContact CE1-CG 4.44Å; F1105-L1109 HydrophobicContact CE2-CD1 4.17Å; F1105-L1109 HydrophobicContact CZ-CB 4.05Å; F1105-L1109 HydrophobicContact CZ-CD1 3.76Å; P1106-L1109 WeakPolarHBondContact O-CB 3.39Å; P1106-L1109 PolarHBondContact O-N 3.31Å; Y1107-L1109 PolarHBondContact O-N 3.5Å; L1109-N1112 PolarHBondContact O-N 3.02Å; L1109-A1113 WeakPolarHBondContact O-CB 3.31Å; L1109-A1113 PolarHBondContact O-N 3.33Å |
| 1110 | L | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 177 | -60.9 | 172.6 | 0 | 0 | 0 | 111.1 | Y1083 D1087 L1101 F1105 Y1107 N1112 A1113 Y1114 | Y1083-L1110 WeakPolarHBondContact O-CD2 3.26Å; D1087-L1110 HydrophobicContact CB-CD1 4.16Å; L1101-L1110 HydrophobicContact CD2-CD1 3.81Å; F1105-L1110 HydrophobicContact CD1-CD1 4.24Å; F1105-L1110 HydrophobicContact CD1-CD2 4.09Å; F1105-L1110 HydrophobicContact CD1-CG 3.95Å; F1105-L1110 HydrophobicContact CE1-CD2 3.67Å; F1105-L1110 HydrophobicContact CE1-CG 3.81Å; Y1107-L1110 HydrophobicContact CD2-CB 4.2Å; Y1107-L1110 HydrophobicContact CD2-CD1 3.79Å; Y1107-L1110 HydrophobicContact CE2-CB 4.33Å; Y1107-L1110 HydrophobicContact CE2-CD1 4.23Å; Y1107-L1110 WeakPolarHBondContact O-CB 3.43Å; Y1107-L1110 PolarHBondContact O-N 2.87Å; L1110-N1112 VanDerWaalsContact C-N 3.32Å; L1110-N1112 PolarHBondContact O-N 3.31Å; L1110-A1113 WeakPolarHBondContact O-CB 3.41Å; L1110-A1113 PolarHBondContact O-N 3.2Å; L1110-A1113 VanDerWaalsContact O-N 3.15Å; L1110-Y1114 WeakPolarHBondContact O-CD2 3.34Å; L1110-Y1114 PolarHBondContact O-N 3.02Å |
| 1111 | R | 94.1 | Very high | 90.7 | Very high | 143 Ų | 143 | 61.8 Ų | 61.8 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 176 | -173.3 | -172.5 | 68.8 | -168.1 | -1.3 | 111.9 | Y1107 H1115 | Y1107-R1111 HydrophobicContact CD1-CB 4.31Å; Y1107-R1111 HydrophobicContact CE1-CB 4.25Å; Y1107-R1111 WeakPolarHBondContact O-CB 3.49Å; Y1107-R1111 PolarHBondContact O-N 3.16Å; R1111-H1115 PolarHBondContact O-N 3.46Å |
| 1112 | N | 94 | Very high | 88.7 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 178.1 | -71.3 | -2.1 | 0 | 0 | 0 | 111.6 | V1108 L1109 L1110 H1115 A1116 | V1108-N1112 WeakPolarHBondContact O-CB 3.34Å; V1108-N1112 VanDerWaalsContact O-CG 3.22Å; V1108-N1112 PolarHBondContact O-N 3.48Å; V1108-N1112 VanDerWaalsContact O-N 3.13Å; V1108-N1112 PolarHBondContact O-OD1 3.06Å; L1109-N1112 PolarHBondContact O-N 3.02Å; L1110-N1112 VanDerWaalsContact C-N 3.32Å; L1110-N1112 PolarHBondContact O-N 3.31Å; N1112-H1115 PolarHBondContact O-N 2.87Å; N1112-A1116 PolarHBondContact O-N 3.19Å |
| 1113 | A | 93.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1080 L1084 L1109 L1110 H1115 A1116 V1117 | E1080-A1113 HydrophobicContact CB-CB 3.83Å; E1080-A1113 HydrophobicContact CG-CB 4.41Å; E1080-A1113 WeakPolarHBondContact O-CB 3.49Å; L1084-A1113 HydrophobicContact CD2-CB 3.69Å; L1084-A1113 HydrophobicContact CG-CB 4.33Å; L1109-A1113 WeakPolarHBondContact O-CB 3.31Å; L1109-A1113 PolarHBondContact O-N 3.33Å; L1110-A1113 WeakPolarHBondContact O-CB 3.41Å; L1110-A1113 PolarHBondContact O-N 3.2Å; L1110-A1113 VanDerWaalsContact O-N 3.15Å; A1113-H1115 PolarHBondContact O-N 2.82Å; A1113-A1116 PolarHBondContact O-N 3.08Å; A1113-V1117 WeakPolarHBondContact O-CG2 3.48Å; A1113-V1117 PolarHBondContact O-N 2.81Å; A1113-V1117 VanDerWaalsContact O-N 3.1Å |
| 1114 | Y | 94.1 | Very high | 84.1 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.4 | -48 | 172.1 | -81.8 | -61 | 0 | 0 | 0 | 111.3 | L1084 D1087 L1110 A1116 V1117 Y1118 | L1084-Y1114 HydrophobicContact CD1-CD1 3.88Å; L1084-Y1114 HydrophobicContact CD1-CE1 3.83Å; L1084-Y1114 HydrophobicContact CD2-CD1 3.88Å; L1084-Y1114 HydrophobicContact CD2-CD2 3.73Å; L1084-Y1114 HydrophobicContact CD2-CE1 3.84Å; L1084-Y1114 HydrophobicContact CD2-CE2 3.67Å; L1084-Y1114 HydrophobicContact CD2-CG 3.82Å; L1084-Y1114 HydrophobicContact CG-CE1 4.3Å; D1087-Y1114 PolarHBondContact OD2-OH 3.12Å; L1110-Y1114 WeakPolarHBondContact O-CD2 3.34Å; L1110-Y1114 PolarHBondContact O-N 3.02Å; Y1114-A1116 VanDerWaalsContact C-N 3.29Å; Y1114-A1116 PolarHBondContact O-N 3.14Å; Y1114-V1117 WeakPolarHBondContact O-CG2 3.04Å; Y1114-V1117 PolarHBondContact O-N 3.39Å; Y1114-Y1118 HydrophobicContact CD1-CD2 4.43Å; Y1114-Y1118 HydrophobicContact CD1-CE2 4.04Å; Y1114-Y1118 WeakPolarHBondContact O-CB 3.44Å; Y1114-Y1118 VanDerWaalsContact O-CD2 3.28Å; Y1114-Y1118 WeakPolarHBondContact O-CD2 3.26Å; Y1114-Y1118 PolarHBondContact O-N 3.15Å |
| 1115 | H | 92.8 | Very high | 81.3 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 54% | 0.542 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 177.1 | 172.3 | -89.6 | 0 | 0 | 0 | 112.2 | R1111 N1112 A1113 K1119 | R1111-H1115 PolarHBondContact O-N 3.46Å; N1112-H1115 PolarHBondContact O-N 2.87Å; A1113-H1115 PolarHBondContact O-N 2.82Å; H1115-K1119 WeakPolarHBondContact O-CB 3.23Å; H1115-K1119 PolarHBondContact O-N 3.18Å |
| 1116 | A | 90.9 | Very high | 78.2 | Confident | 18 Ų | 18 | 76.2 Ų | 76.2 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1080 N1112 A1113 Y1114 K1119 Q1120 | E1080-A1116 WeakPolarHBondContact OE2-CB 3.37Å; N1112-A1116 PolarHBondContact O-N 3.19Å; A1113-A1116 PolarHBondContact O-N 3.08Å; Y1114-A1116 VanDerWaalsContact C-N 3.29Å; Y1114-A1116 PolarHBondContact O-N 3.14Å; A1116-K1119 PolarHBondContact O-N 3.42Å; A1116-Q1120 WeakPolarHBondContact O-CB 3.19Å; A1116-Q1120 WeakPolarHBondContact O-CG 3.17Å; A1116-Q1120 PolarHBondContact O-N 3.05Å |
| 1117 | V | 91.5 | Very high | 77.4 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.012 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -72.3 | -33.7 | -176.4 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | Y1016 L1084 A1113 Y1114 | Y1016-V1117 HydrophobicContact CD1-CB 3.96Å; Y1016-V1117 HydrophobicContact CD1-CG2 3.42Å; Y1016-V1117 VanDerWaalsContact CD1-CG2 3.42Å; Y1016-V1117 HydrophobicContact CE1-CG2 4.02Å; Y1016-V1117 HydrophobicContact CG-CG2 4.2Å; L1084-V1117 HydrophobicContact CD1-CG2 3.95Å; A1113-V1117 WeakPolarHBondContact O-CG2 3.48Å; A1113-V1117 PolarHBondContact O-N 2.81Å; A1113-V1117 VanDerWaalsContact O-N 3.1Å; Y1114-V1117 WeakPolarHBondContact O-CG2 3.04Å; Y1114-V1117 PolarHBondContact O-N 3.39Å |
| 1118 | Y | 88.6 | Confident | 76.5 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 37% | 0.365 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -73.7 | -33.9 | 173.9 | -85 | -96.4 | 0 | 0 | 0 | 112.8 | Y1016 P1018 Y1114 S1121 I1122 | Y1016-Y1118 AromaticContact CE1-CE2 3.92Å; Y1016-Y1118 HydrophobicContact CE1-CE2 3.92Å; P1018-Y1118 HydrophobicContact CB-CD1 3.83Å; P1018-Y1118 HydrophobicContact CB-CE1 3.7Å; P1018-Y1118 HydrophobicContact CB-CG 4.39Å; P1018-Y1118 HydrophobicContact CG-CD1 3.85Å; P1018-Y1118 HydrophobicContact CG-CD2 4.25Å; P1018-Y1118 HydrophobicContact CG-CE1 4.14Å; P1018-Y1118 HydrophobicContact CG-CG 3.92Å; Y1114-Y1118 HydrophobicContact CD1-CD2 4.43Å; Y1114-Y1118 HydrophobicContact CD1-CE2 4.04Å; Y1114-Y1118 WeakPolarHBondContact O-CB 3.44Å; Y1114-Y1118 VanDerWaalsContact O-CD2 3.28Å; Y1114-Y1118 WeakPolarHBondContact O-CD2 3.26Å; Y1114-Y1118 PolarHBondContact O-N 3.15Å; Y1118-S1121 PolarHBondContact O-OG 3.25Å; Y1118-I1122 WeakPolarHBondContact O-CG1 3.3Å |
| 1119 | K | 85.5 | Confident | 75.5 | Confident | 132 Ų | 132 | 76.4 Ų | 76.4 | 57% | 0.574 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -72 | -40.1 | 176.2 | -175 | 174.9 | 179.2 | 178.2 | 0 | 112.3 | H1115 A1116 S1121 I1122 S1123 | H1115-K1119 WeakPolarHBondContact O-CB 3.23Å; H1115-K1119 PolarHBondContact O-N 3.18Å; A1116-K1119 PolarHBondContact O-N 3.42Å; K1119-S1121 VanDerWaalsContact C-N 3.27Å; K1119-S1121 PolarHBondContact O-N 3.19Å; K1119-I1122 PolarHBondContact O-N 3.22Å; K1119-S1123 PolarHBondContact O-N 2.69Å; K1119-S1123 PolarHBondContact O-OG 3.44Å |
| 1120 | Q | 73.3 | Confident | 74.3 | Confident | 100 Ų | 100 | 77.4 Ų | 77.4 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -33.4 | 179 | -81.5 | 176.9 | -4.8 | 0 | 0 | 112.7 | A1116 S1123 A1124 | A1116-Q1120 WeakPolarHBondContact O-CB 3.19Å; A1116-Q1120 WeakPolarHBondContact O-CG 3.17Å; A1116-Q1120 PolarHBondContact O-N 3.05Å; Q1120-S1123 PolarHBondContact O-OG 3.36Å; Q1120-A1124 PolarHBondContact O-N 2.92Å |
| 1121 | S | 60.3 | Low | 73.1 | Confident | 47 Ų | 47 | 82.2 Ų | 82.2 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.6 | -36.6 | 178 | 85.1 | 0 | 0 | 0 | 0 | 112.7 | Y1118 K1119 S1123 A1124 S1125 | Y1118-S1121 PolarHBondContact O-OG 3.25Å; K1119-S1121 VanDerWaalsContact C-N 3.27Å; K1119-S1121 PolarHBondContact O-N 3.19Å; S1121-S1123 VanDerWaalsContact C-N 3.31Å; S1121-S1123 PolarHBondContact O-N 3.35Å; S1121-A1124 PolarHBondContact O-N 3.02Å; S1121-S1125 PolarHBondContact O-N 2.72Å; S1121-S1125 PolarHBondContact O-OG 3.36Å |
| 1122 | I | 53 | Low | 71.7 | Confident | 117 Ų | 117 | 78.1 Ų | 78.1 | 60% | 0.6 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.3 | -36.6 | 179.3 | -62.3 | 168 | 0 | 0 | 0 | 111 | Y1118 K1119 S1125 | Y1118-I1122 WeakPolarHBondContact O-CG1 3.3Å; K1119-I1122 PolarHBondContact O-N 3.22Å; I1122-S1125 PolarHBondContact O-OG 3.02Å |
| 1123 | S | 45.3 | Very low | 70.1 | Confident | 84 Ų | 84 | 77.6 Ų | 77.6 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -76.2 | -17.9 | 176.5 | 46 | 0 | 0 | 0 | 0 | 115 | K1119 Q1120 S1121 | K1119-S1123 PolarHBondContact O-N 2.69Å; K1119-S1123 PolarHBondContact O-OG 3.44Å; Q1120-S1123 PolarHBondContact O-OG 3.36Å; S1121-S1123 VanDerWaalsContact C-N 3.31Å; S1121-S1123 PolarHBondContact O-N 3.35Å |
| 1124 | A | 45.9 | Very low | 68.2 | Low | 87 Ų | 87 | 83.5 Ų | 83.5 | 72% | 0.719 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -91 | -16.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1120 S1121 | Q1120-A1124 PolarHBondContact O-N 2.92Å; S1121-A1124 PolarHBondContact O-N 3.02Å |
| 1125 | S | 35.6 | Very low | 66.1 | Low | 101 Ų | 101 | 86.3 Ų | 86.3 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | trans | -94.1 | -3.6 | 175.2 | 56 | 0 | 0 | 0 | 0 | 114.7 | S1121 I1122 | S1121-S1125 PolarHBondContact O-N 2.72Å; S1121-S1125 PolarHBondContact O-OG 3.36Å; I1122-S1125 PolarHBondContact O-OG 3.02Å | ||
| 1126 | A | 30.4 | Very low | 63.7 | Low | 138 Ų | 138 | 83.5 Ų | 83.5 | 100% | 1.141 | 51% | 0.514 | S | S | * | . | trans | -104.2 | 0 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 1,126 of 1,126 residues in 3093.7 ms
(Link to these results)