| 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 | 45.1 | Very low | 81.7 | Confident | 225 Ų | 225 | 72.5 Ų | 72.5 | 100% | 1.108 | 40% | 0.395 | S | S | * | . | 0 | 96.3 | 0 | -153.7 | 172.5 | -179.4 | 0 | 0 | 105.6 | |||||
| 2 | H | 65.7 | Low | 82.8 | Confident | 100 Ų | 100 | 69.7 Ų | 69.7 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | trans | -84.5 | 128.8 | -167.7 | -63.1 | -70.7 | 0 | 0 | 0 | 110.7 | H657 | H2-H657 VanDerWaalsContact CB-CD2 3.47Å; H2-H657 WeakPolarHBondContact CB-CD2 3.42Å; H2-H657 AromaticContact CD2-CD2 3.89Å; H2-H657 AromaticContact CG-CD2 3.45Å; H2-H657 VanDerWaalsContact CG-CD2 3.45Å; H2-H657 AromaticContact ND1-CD2 3.85Å | ||
| 3 | M | 75 | Confident | 83.7 | Confident | 84 Ų | 84 | 74.5 Ų | 74.5 | 41% | 0.414 | 40% | 0.396 | S | S | . | . | trans | -87.3 | -21.2 | -171.1 | -66.4 | -168.9 | 170.2 | 0 | 0 | 114 | G5 P6 L7 M654 | M3-G5 PolarHBondContact O-N 3.17Å; M3-P6 WeakPolarHBondContact O-CD 3.4Å; M3-L7 HydrophobicContact CB-CD1 3.68Å; M3-L7 HydrophobicContact CB-CG 4.23Å; M3-L7 VanDerWaalsContact O-CB 3.25Å; M3-L7 WeakPolarHBondContact O-CB 3.44Å; M3-L7 WeakPolarHBondContact O-CG 3.45Å; M3-L7 PolarHBondContact O-N 2.94Å; M3-M654 HydrophobicContact CE-CE 3.39Å; M3-M654 PolarHBondContact N-O 3.37Å; M3-M654 HydrophobicContact SD-CE 3.4Å; M3-M654 WeakPolarHBondContact SD-CE 3.47Å | ||
| 4 | D | 78.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.1 | -55.2 | -172.8 | -179.8 | 78.5 | 0 | 0 | 0 | 113.4 | L7 R8 V320 H657 H711 | D4-L7 PolarHBondContact O-N 3.25Å; D4-R8 VanDerWaalsContact O-CG 3.24Å; D4-R8 WeakPolarHBondContact O-CG 3.48Å; D4-R8 PolarHBondContact O-N 3.34Å; D4-V320 WeakPolarHBondContact OD1-CG1 3.37Å; D4-H657 WeakPolarHBondContact CB-CE1 3.2Å; D4-H657 IonicContact OD2-CE1 2.81Å; D4-H657 PolarHBondContact OD2-CE1 2.92Å; D4-H711 IonicContact OD1-CE1 3.22Å; D4-H711 PolarHBondContact OD1-CE1 3.05Å; D4-H711 VanDerWaalsContact OD1-CE1 3.31Å; D4-H711 IonicContact OD1-NE2 3.52Å; D4-H711 PolarHBondContact OD1-NE2 3Å |
| 5 | G | 83.6 | Confident | 85.3 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.6 | -54.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | M3 R8 T9 | M3-G5 PolarHBondContact O-N 3.17Å; G5-R8 PolarHBondContact O-N 3.48Å; G5-T9 PolarHBondContact O-N 2.97Å; G5-T9 PolarHBondContact O-OG1 3.38Å |
| 6 | P | 87.7 | Confident | 85.9 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.6 | -45.8 | 174.5 | -26.7 | 35 | 0 | 0 | 0 | 113.2 | M3 R8 T9 V10 | M3-P6 WeakPolarHBondContact O-CD 3.4Å; P6-R8 VanDerWaalsContact C-N 3.33Å; P6-R8 PolarHBondContact O-N 3.33Å; P6-T9 PolarHBondContact O-N 3.36Å; P6-V10 WeakPolarHBondContact O-CG2 3.41Å; P6-V10 PolarHBondContact O-N 3.27Å |
| 7 | L | 89.7 | Confident | 86.5 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | -179.2 | -75.9 | 173.1 | 0 | 0 | 0 | 112.3 | M3 D4 T9 V10 F11 V320 F655 | M3-L7 HydrophobicContact CB-CD1 3.68Å; M3-L7 HydrophobicContact CB-CG 4.23Å; M3-L7 VanDerWaalsContact O-CB 3.25Å; M3-L7 WeakPolarHBondContact O-CB 3.44Å; M3-L7 WeakPolarHBondContact O-CG 3.45Å; M3-L7 PolarHBondContact O-N 2.94Å; D4-L7 PolarHBondContact O-N 3.25Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 2.92Å; L7-V10 PolarHBondContact O-N 3.27Å; L7-F11 HydrophobicContact CB-CD2 4.31Å; L7-F11 HydrophobicContact CB-CE2 4.19Å; L7-F11 HydrophobicContact CD2-CE2 4.23Å; L7-F11 WeakPolarHBondContact O-CD2 3Å; L7-F11 PolarHBondContact O-N 3.28Å; L7-V320 HydrophobicContact CB-CG2 3.95Å; L7-F655 HydrophobicContact CD1-CD1 4.42Å; L7-F655 HydrophobicContact CD1-CE1 3.61Å; L7-F655 HydrophobicContact CD1-CZ 4.12Å |
| 8 | R | 90.8 | Very high | 87 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 20% | 0.2 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 175.3 | -70.4 | 173.6 | 76.6 | -172.6 | 5.9 | 111.5 | D4 G5 P6 V10 F11 E12 R316 E317 V320 | D4-R8 VanDerWaalsContact O-CG 3.24Å; D4-R8 WeakPolarHBondContact O-CG 3.48Å; D4-R8 PolarHBondContact O-N 3.34Å; G5-R8 PolarHBondContact O-N 3.48Å; P6-R8 VanDerWaalsContact C-N 3.33Å; P6-R8 PolarHBondContact O-N 3.33Å; R8-V10 VanDerWaalsContact C-N 3.3Å; R8-V10 PolarHBondContact O-N 3.43Å; R8-F11 PolarHBondContact O-N 3.47Å; R8-E12 WeakPolarHBondContact O-CB 3.36Å; R8-E12 PolarHBondContact O-N 3.08Å; R8-R316 HydrophobicContact CB-CG 3.8Å; R8-R316 HydrophobicContact CG-CG 4.34Å; R8-R316 VanDerWaalsContact NH2-NH2 3.14Å; R8-R316 WeakPolarHBondContact O-CG 3.44Å; R8-E317 IonicContact CZ-OE1 3.69Å; R8-E317 IonicContact NE-OE1 3.65Å; R8-E317 IonicContact NH2-OE1 3.59Å; R8-E317 PolarHBondContact NH2-OE1 3.42Å; R8-E317 IonicContact NH2-OE2 3.86Å; R8-V320 HydrophobicContact CB-CG2 4.47Å; R8-V320 HydrophobicContact CG-CG2 3.61Å |
| 9 | T | 92.6 | Very high | 87.4 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 178.1 | -53.1 | 0 | 0 | 0 | 0 | 111 | G5 P6 L7 E12 Q13 | G5-T9 PolarHBondContact O-N 2.97Å; G5-T9 PolarHBondContact O-OG1 3.38Å; P6-T9 PolarHBondContact O-N 3.36Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 2.92Å; T9-E12 PolarHBondContact O-N 3.12Å; T9-Q13 WeakPolarHBondContact O-CG 3.2Å; T9-Q13 PolarHBondContact O-N 3.23Å; T9-Q13 VanDerWaalsContact O-N 3.09Å |
| 10 | V | 94.8 | Very high | 87.7 | Confident | 80 Ų | 80 | 66.9 Ų | 66.9 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | P6 L7 R8 E12 Q13 Y14 | P6-V10 WeakPolarHBondContact O-CG2 3.41Å; P6-V10 PolarHBondContact O-N 3.27Å; L7-V10 PolarHBondContact O-N 3.27Å; R8-V10 VanDerWaalsContact C-N 3.3Å; R8-V10 PolarHBondContact O-N 3.43Å; V10-E12 VanDerWaalsContact C-N 3.34Å; V10-E12 PolarHBondContact O-N 3.35Å; V10-Q13 PolarHBondContact O-N 3.27Å; V10-Y14 VanDerWaalsContact O-CB 3.24Å; V10-Y14 WeakPolarHBondContact O-CB 3.48Å; V10-Y14 PolarHBondContact O-N 2.91Å |
| 11 | F | 95.5 | Very high | 88.1 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.9 | -30.8 | 179.6 | -73.8 | -54.4 | 0 | 0 | 0 | 113.7 | L7 R8 Y14 G15 L315 V320 T323 M363 | L7-F11 HydrophobicContact CB-CD2 4.31Å; L7-F11 HydrophobicContact CB-CE2 4.19Å; L7-F11 HydrophobicContact CD2-CE2 4.23Å; L7-F11 WeakPolarHBondContact O-CD2 3Å; L7-F11 PolarHBondContact O-N 3.28Å; R8-F11 PolarHBondContact O-N 3.47Å; F11-Y14 HydrophobicContact CD1-CD1 4.41Å; F11-Y14 PolarHBondContact O-N 3.36Å; F11-G15 PolarHBondContact O-N 3.06Å; F11-L315 WeakPolarHBondContact CB-O 3.5Å; F11-V320 HydrophobicContact CD2-CG2 3.7Å; F11-V320 HydrophobicContact CE2-CG2 4.11Å; F11-T323 WeakPolarHBondContact CZ-OG1 3.39Å; F11-M363 HydrophobicContact CD1-CE 3.45Å; F11-M363 VanDerWaalsContact CD1-CE 3.45Å; F11-M363 HydrophobicContact CE1-CE 3.28Å; F11-M363 HydrophobicContact CZ-CE 4.19Å |
| 12 | E | 94.6 | Very high | 90.4 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 172.4 | -168.3 | 176.6 | 154.1 | 0 | 0 | 110.8 | R8 T9 V10 G15 L16 R309 S312 R316 | R8-E12 WeakPolarHBondContact O-CB 3.36Å; R8-E12 PolarHBondContact O-N 3.08Å; T9-E12 PolarHBondContact O-N 3.12Å; V10-E12 VanDerWaalsContact C-N 3.34Å; V10-E12 PolarHBondContact O-N 3.35Å; E12-G15 PolarHBondContact O-N 3.18Å; E12-L16 PolarHBondContact O-N 2.89Å; E12-R309 IonicContact OE1-CZ 2.75Å; E12-R309 IonicContact OE1-NH1 2.77Å; E12-R309 PolarHBondContact OE1-NH1 3.45Å; E12-R309 IonicContact OE1-NH2 3.21Å; E12-R309 PolarHBondContact OE1-NH2 3.45Å; E12-S312 VanDerWaalsContact O-CB 3.29Å; E12-S312 WeakPolarHBondContact O-CB 3.42Å; E12-R316 HydrophobicContact CB-CB 4.05Å; E12-R316 HydrophobicContact CB-CG 4.15Å; E12-R316 HydrophobicContact CG-CB 4.48Å; E12-R316 WeakPolarHBondContact OE2-CD 3.39Å; E12-R316 IonicContact OE2-NH1 2.66Å; E12-R316 PolarHBondContact OE2-NH1 2.9Å |
| 13 | Q | 95.4 | Very high | 91.7 | Very high | 132 Ų | 132 | 57.1 Ų | 57.1 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.5 | -42.3 | 175.4 | -69.3 | 178.9 | 3.3 | 0 | 0 | 112 | T9 V10 G15 L16 F17 | T9-Q13 WeakPolarHBondContact O-CG 3.2Å; T9-Q13 PolarHBondContact O-N 3.23Å; T9-Q13 VanDerWaalsContact O-N 3.09Å; V10-Q13 PolarHBondContact O-N 3.27Å; Q13-G15 VanDerWaalsContact C-N 3.34Å; Q13-G15 PolarHBondContact O-N 3.47Å; Q13-L16 WeakPolarHBondContact O-CB 3.46Å; Q13-L16 PolarHBondContact O-N 2.83Å; Q13-F17 PolarHBondContact O-N 3.5Å |
| 14 | Y | 96.1 | Very high | 92.6 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.4 | -178.7 | -105.6 | 0 | 0 | 0 | 111.7 | V10 F11 L16 F17 V18 L315 M363 | V10-Y14 VanDerWaalsContact O-CB 3.24Å; V10-Y14 WeakPolarHBondContact O-CB 3.48Å; V10-Y14 PolarHBondContact O-N 2.91Å; F11-Y14 HydrophobicContact CD1-CD1 4.41Å; F11-Y14 PolarHBondContact O-N 3.36Å; Y14-L16 VanDerWaalsContact C-N 3.29Å; Y14-L16 PolarHBondContact O-N 3.17Å; Y14-F17 CarbonylContact O-C 3.39Å; Y14-F17 WeakPolarHBondContact O-CA 3.37Å; Y14-F17 WeakPolarHBondContact O-CB 3.42Å; Y14-F17 PolarHBondContact O-N 3.32Å; Y14-V18 HydrophobicContact CD1-CG2 3.95Å; Y14-V18 HydrophobicContact CD2-CG2 4.43Å; Y14-V18 HydrophobicContact CE1-CG2 3.49Å; Y14-V18 VanDerWaalsContact CE1-CG2 3.49Å; Y14-V18 HydrophobicContact CE2-CG2 4.03Å; Y14-V18 HydrophobicContact CG-CG2 4.4Å; Y14-V18 WeakPolarHBondContact O-CG2 3.3Å; Y14-V18 PolarHBondContact O-N 3.47Å; Y14-L315 HydrophobicContact CD1-CD1 4.41Å; Y14-M363 HydrophobicContact CD1-CE 4.3Å; Y14-M363 HydrophobicContact CE1-CB 4.44Å; Y14-M363 HydrophobicContact CE1-CE 4.18Å; Y14-M363 WeakPolarHBondContact CE1-O 3.35Å; Y14-M363 PolarHBondContact OH-O 3.16Å |
| 15 | G | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F11 E12 Q13 A19 L311 | F11-G15 PolarHBondContact O-N 3.06Å; E12-G15 PolarHBondContact O-N 3.18Å; Q13-G15 VanDerWaalsContact C-N 3.34Å; Q13-G15 PolarHBondContact O-N 3.47Å; G15-A19 WeakPolarHBondContact O-CB 3.49Å; G15-A19 PolarHBondContact O-N 2.65Å; G15-A19 VanDerWaalsContact O-N 3.07Å; G15-L311 WeakPolarHBondContact O-CD2 3.39Å |
| 16 | L | 95.1 | Very high | 93.9 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 168.7 | -67.6 | 172.4 | 0 | 0 | 0 | 111 | E12 Q13 Y14 V18 A19 H20 E308 | E12-L16 PolarHBondContact O-N 2.89Å; Q13-L16 WeakPolarHBondContact O-CB 3.46Å; Q13-L16 PolarHBondContact O-N 2.83Å; Y14-L16 VanDerWaalsContact C-N 3.29Å; Y14-L16 PolarHBondContact O-N 3.17Å; L16-V18 PolarHBondContact O-N 3.05Å; L16-A19 PolarHBondContact O-N 3.49Å; L16-H20 PolarHBondContact O-N 2.87Å; L16-H20 VanDerWaalsContact O-N 3.15Å; L16-H20 PolarHBondContact O-ND1 3.27Å; L16-E308 HydrophobicContact CD2-CB 4.34Å |
| 17 | F | 96 | Very high | 94.3 | Very high | 107 Ų | 107 | 56.4 Ų | 56.4 | 47% | 0.469 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 179 | -177.9 | -108.2 | 0 | 0 | 0 | 112.7 | Q13 Y14 H20 H21 F25 | Q13-F17 PolarHBondContact O-N 3.5Å; Y14-F17 CarbonylContact O-C 3.39Å; Y14-F17 WeakPolarHBondContact O-CA 3.37Å; Y14-F17 WeakPolarHBondContact O-CB 3.42Å; Y14-F17 PolarHBondContact O-N 3.32Å; F17-H20 PolarHBondContact O-N 3.31Å; F17-H21 AromaticContact CD2-CE1 3.96Å; F17-H21 AromaticContact CD2-ND1 3.81Å; F17-H21 AromaticContact CE2-CE1 3.58Å; F17-H21 AromaticContact CE2-ND1 3.63Å; F17-H21 PolarHBondContact O-N 2.91Å; F17-H21 PolarHBondContact O-ND1 3.38Å; F17-H21 VanDerWaalsContact O-ND1 3.09Å; F17-F25 AromaticContact CD1-CE2 3.91Å; F17-F25 HydrophobicContact CD1-CE2 3.91Å; F17-F25 AromaticContact CD1-CZ 3.84Å; F17-F25 HydrophobicContact CD1-CZ 3.84Å; F17-F25 AromaticContact CE1-CE2 3.7Å; F17-F25 HydrophobicContact CE1-CE2 3.7Å; F17-F25 AromaticContact CE1-CZ 3.61Å; F17-F25 HydrophobicContact CE1-CZ 3.61Å |
| 18 | V | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | Y14 L16 H20 H21 A22 F25 L311 A368 | Y14-V18 HydrophobicContact CD1-CG2 3.95Å; Y14-V18 HydrophobicContact CD2-CG2 4.43Å; Y14-V18 HydrophobicContact CE1-CG2 3.49Å; Y14-V18 VanDerWaalsContact CE1-CG2 3.49Å; Y14-V18 HydrophobicContact CE2-CG2 4.03Å; Y14-V18 HydrophobicContact CG-CG2 4.4Å; Y14-V18 WeakPolarHBondContact O-CG2 3.3Å; Y14-V18 PolarHBondContact O-N 3.47Å; L16-V18 PolarHBondContact O-N 3.05Å; V18-H20 VanDerWaalsContact C-N 3.31Å; V18-H20 PolarHBondContact O-N 3.38Å; V18-H21 CarbonylContact O-C 3.56Å; V18-H21 PolarHBondContact O-N 3.12Å; V18-A22 WeakPolarHBondContact O-CA 3.28Å; V18-A22 PolarHBondContact O-N 3.03Å; V18-F25 HydrophobicContact CG1-CB 4.44Å; V18-F25 HydrophobicContact CG1-CD2 4.48Å; V18-F25 HydrophobicContact CG1-CG 4.34Å; V18-F25 HydrophobicContact CG2-CD1 4.36Å; V18-F25 HydrophobicContact CG2-CD2 4.43Å; V18-F25 HydrophobicContact CG2-CE1 4.21Å; V18-F25 HydrophobicContact CG2-CE2 4.28Å; V18-F25 HydrophobicContact CG2-CG 4.47Å; V18-F25 HydrophobicContact CG2-CZ 4.16Å; V18-L311 HydrophobicContact CB-CD2 4.16Å; V18-L311 HydrophobicContact CG1-CD2 3.99Å; V18-A368 HydrophobicContact CG1-CB 4.07Å |
| 19 | A | 94.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | G15 L16 E308 L311 Y371 | G15-A19 WeakPolarHBondContact O-CB 3.49Å; G15-A19 PolarHBondContact O-N 2.65Å; G15-A19 VanDerWaalsContact O-N 3.07Å; L16-A19 PolarHBondContact O-N 3.49Å; A19-E308 HydrophobicContact CB-CB 4.02Å; A19-E308 HydrophobicContact CB-CG 4.05Å; A19-L311 HydrophobicContact CB-CD2 4.17Å; A19-Y371 HydrophobicContact CB-CD2 3.94Å; A19-Y371 HydrophobicContact CB-CE1 4.37Å; A19-Y371 HydrophobicContact CB-CE2 3.81Å; A19-Y371 HydrophobicContact CB-CG 4.29Å; A19-Y371 WeakPolarHBondContact O-CE1 3.28Å; A19-Y371 VanDerWaalsContact O-CZ 3.31Å; A19-Y371 PolarHBondContact O-OH 3.1Å |
| 20 | H | 93.8 | Very high | 94.9 | Very high | 138 Ų | 138 | 58.5 Ų | 58.5 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -71.8 | -29.4 | 178.2 | -71.9 | 85.2 | 0 | 0 | 0 | 112.8 | L16 F17 V18 | L16-H20 PolarHBondContact O-N 2.87Å; L16-H20 VanDerWaalsContact O-N 3.15Å; L16-H20 PolarHBondContact O-ND1 3.27Å; F17-H20 PolarHBondContact O-N 3.31Å; V18-H20 VanDerWaalsContact C-N 3.31Å; V18-H20 PolarHBondContact O-N 3.38Å |
| 21 | H | 95.1 | Very high | 94.9 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 24.8 | -175.7 | -58.6 | 90.2 | 0 | 0 | 0 | 113.1 | F17 V18 V23 A24 F25 | F17-H21 AromaticContact CD2-CE1 3.96Å; F17-H21 AromaticContact CD2-ND1 3.81Å; F17-H21 AromaticContact CE2-CE1 3.58Å; F17-H21 AromaticContact CE2-ND1 3.63Å; F17-H21 PolarHBondContact O-N 2.91Å; F17-H21 PolarHBondContact O-ND1 3.38Å; F17-H21 VanDerWaalsContact O-ND1 3.09Å; V18-H21 CarbonylContact O-C 3.56Å; V18-H21 PolarHBondContact O-N 3.12Å; H21-V23 VanDerWaalsContact C-N 3.28Å; H21-V23 PolarHBondContact O-N 3.09Å; H21-V23 VanDerWaalsContact O-N 3.1Å; H21-A24 WeakPolarHBondContact O-CB 3.29Å; H21-A24 PolarHBondContact O-N 3.4Å; H21-F25 HydrophobicContact CB-CD2 3.81Å; H21-F25 HydrophobicContact CB-CE2 3.9Å; H21-F25 WeakPolarHBondContact O-CD2 3.27Å; H21-F25 PolarHBondContact O-N 3.4Å; H21-F25 VanDerWaalsContact O-N 3.13Å |
| 22 | A | 93.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.9 | -39.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V18 A24 F25 V26 A368 Y371 L372 | V18-A22 WeakPolarHBondContact O-CA 3.28Å; V18-A22 PolarHBondContact O-N 3.03Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 3.17Å; A22-F25 PolarHBondContact O-N 3.47Å; A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 2.9Å; A22-A368 HydrophobicContact CB-CB 4.29Å; A22-A368 WeakPolarHBondContact O-CB 3.29Å; A22-Y371 HydrophobicContact CB-CD1 3.45Å; A22-Y371 VanDerWaalsContact CB-CD1 3.45Å; A22-Y371 HydrophobicContact CB-CE1 3.6Å; A22-L372 HydrophobicContact CB-CD1 4.43Å; A22-L372 HydrophobicContact CB-CD2 3.98Å; A22-L372 HydrophobicContact CB-CG 4.04Å |
| 23 | V | 93.5 | Very high | 94.9 | Very high | 94 Ų | 94 | 59.4 Ų | 59.4 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 178.3 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | H21 V26 L27 | H21-V23 VanDerWaalsContact C-N 3.28Å; H21-V23 PolarHBondContact O-N 3.09Å; H21-V23 VanDerWaalsContact O-N 3.1Å; V23-V26 PolarHBondContact O-N 2.98Å; V23-L27 HydrophobicContact CG1-CD1 3.99Å; V23-L27 HydrophobicContact CG1-CG 4.46Å; V23-L27 WeakPolarHBondContact O-CG 3.44Å; V23-L27 PolarHBondContact O-N 3.25Å |
| 24 | A | 94.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 58.9 Ų | 58.9 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H21 A22 V26 L27 Y28 | H21-A24 WeakPolarHBondContact O-CB 3.29Å; H21-A24 PolarHBondContact O-N 3.4Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 3.17Å; A24-V26 PolarHBondContact O-N 2.87Å; A24-L27 PolarHBondContact O-N 2.97Å; A24-L27 VanDerWaalsContact O-N 3.16Å; A24-Y28 HydrophobicContact CB-CD2 4.1Å; A24-Y28 HydrophobicContact CB-CE2 3.65Å; A24-Y28 WeakPolarHBondContact O-CD2 3.46Å; A24-Y28 PolarHBondContact O-N 3.25Å |
| 25 | F | 95.1 | Very high | 94.8 | Very high | 32 Ų | 32 | 61.5 Ų | 61.5 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.6 | -17.4 | 175.7 | -82.7 | -83.2 | 0 | 0 | 0 | 114.4 | F17 V18 H21 A22 P29 T364 F365 A368 | F17-F25 AromaticContact CD1-CE2 3.91Å; F17-F25 HydrophobicContact CD1-CE2 3.91Å; F17-F25 AromaticContact CD1-CZ 3.84Å; F17-F25 HydrophobicContact CD1-CZ 3.84Å; F17-F25 AromaticContact CE1-CE2 3.7Å; F17-F25 HydrophobicContact CE1-CE2 3.7Å; F17-F25 AromaticContact CE1-CZ 3.61Å; F17-F25 HydrophobicContact CE1-CZ 3.61Å; V18-F25 HydrophobicContact CG1-CB 4.44Å; V18-F25 HydrophobicContact CG1-CD2 4.48Å; V18-F25 HydrophobicContact CG1-CG 4.34Å; V18-F25 HydrophobicContact CG2-CD1 4.36Å; V18-F25 HydrophobicContact CG2-CD2 4.43Å; V18-F25 HydrophobicContact CG2-CE1 4.21Å; V18-F25 HydrophobicContact CG2-CE2 4.28Å; V18-F25 HydrophobicContact CG2-CG 4.47Å; V18-F25 HydrophobicContact CG2-CZ 4.16Å; H21-F25 HydrophobicContact CB-CD2 3.81Å; H21-F25 HydrophobicContact CB-CE2 3.9Å; H21-F25 WeakPolarHBondContact O-CD2 3.27Å; H21-F25 PolarHBondContact O-N 3.4Å; H21-F25 VanDerWaalsContact O-N 3.13Å; A22-F25 PolarHBondContact O-N 3.47Å; F25-P29 WeakPolarHBondContact O-CD 3.48Å; F25-P29 VanDerWaalsContact O-CG 3.25Å; F25-P29 WeakPolarHBondContact O-CG 3.42Å; F25-T364 HydrophobicContact CD1-CG2 3.78Å; F25-T364 HydrophobicContact CE1-CG2 3.91Å; F25-F365 WeakPolarHBondContact O-CA 3.34Å; F25-A368 HydrophobicContact CB-CB 3.75Å |
| 26 | V | 94.2 | Very high | 94.8 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -83.4 | -43.1 | 167.6 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | A22 V23 A24 V30 F365 A368 V369 L372 | A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 2.9Å; V23-V26 PolarHBondContact O-N 2.98Å; A24-V26 PolarHBondContact O-N 2.87Å; V26-V30 VanDerWaalsContact O-CG2 3.32Å; V26-V30 WeakPolarHBondContact O-CG2 3.32Å; V26-F365 HydrophobicContact CG1-CD2 4.23Å; V26-F365 HydrophobicContact CG1-CE2 4Å; V26-A368 HydrophobicContact CG2-CB 3.78Å; V26-V369 HydrophobicContact CG2-CG2 3.96Å; V26-L372 HydrophobicContact CG2-CD1 3.9Å |
| 27 | L | 95 | Very high | 94.5 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 53% | 0.529 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.5 | -42.2 | -174.7 | -68.3 | 174.4 | 0 | 0 | 0 | 113.4 | V23 A24 V30 V31 | V23-L27 HydrophobicContact CG1-CD1 3.99Å; V23-L27 HydrophobicContact CG1-CG 4.46Å; V23-L27 WeakPolarHBondContact O-CG 3.44Å; V23-L27 PolarHBondContact O-N 3.25Å; A24-L27 PolarHBondContact O-N 2.97Å; A24-L27 VanDerWaalsContact O-N 3.16Å; L27-V30 PolarHBondContact O-N 2.99Å; L27-V31 WeakPolarHBondContact O-CG2 3.18Å; L27-V31 PolarHBondContact O-N 3.26Å |
| 28 | Y | 94.7 | Very high | 94.3 | Very high | 155 Ų | 155 | 61.2 Ų | 61.2 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.1 | -48.8 | -176.4 | -66.9 | -53.3 | 0 | 0 | 0 | 113.2 | A24 V30 V31 I32 | A24-Y28 HydrophobicContact CB-CD2 4.1Å; A24-Y28 HydrophobicContact CB-CE2 3.65Å; A24-Y28 WeakPolarHBondContact O-CD2 3.46Å; A24-Y28 PolarHBondContact O-N 3.25Å; Y28-V30 VanDerWaalsContact C-N 3.29Å; Y28-V30 PolarHBondContact O-N 3.22Å; Y28-V31 PolarHBondContact O-N 3.38Å; Y28-I32 WeakPolarHBondContact O-CB 3.28Å; Y28-I32 VanDerWaalsContact O-CG1 3.26Å; Y28-I32 WeakPolarHBondContact O-CG1 3.5Å; Y28-I32 PolarHBondContact O-N 3.13Å |
| 29 | P | 95.6 | Very high | 94 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 176.8 | -29.7 | 41.4 | 0 | 0 | 0 | 113.3 | F25 I32 T33 M256 Y361 T364 F365 | F25-P29 WeakPolarHBondContact O-CD 3.48Å; F25-P29 VanDerWaalsContact O-CG 3.25Å; F25-P29 WeakPolarHBondContact O-CG 3.42Å; P29-I32 PolarHBondContact O-N 2.9Å; P29-T33 WeakPolarHBondContact O-CB 3.27Å; P29-T33 PolarHBondContact O-N 2.85Å; P29-T33 PolarHBondContact O-OG1 3.43Å; P29-M256 HydrophobicContact CB-CE 3.99Å; P29-Y361 HydrophobicContact CB-CD1 3.68Å; P29-Y361 HydrophobicContact CB-CE1 3.75Å; P29-Y361 HydrophobicContact CB-CG 4.42Å; P29-Y361 HydrophobicContact CG-CD1 4.35Å; P29-T364 WeakPolarHBondContact CG-OG1 3.44Å; P29-F365 HydrophobicContact CB-CB 3.87Å; P29-F365 HydrophobicContact CG-CB 3.9Å |
| 30 | V | 95.1 | Very high | 93.7 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 33% | 0.333 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | V26 L27 Y28 T33 L34 M256 F365 | V26-V30 VanDerWaalsContact O-CG2 3.32Å; V26-V30 WeakPolarHBondContact O-CG2 3.32Å; L27-V30 PolarHBondContact O-N 2.99Å; Y28-V30 VanDerWaalsContact C-N 3.29Å; Y28-V30 PolarHBondContact O-N 3.22Å; V30-T33 PolarHBondContact O-N 3.33Å; V30-L34 HydrophobicContact CG1-CD1 4.37Å; V30-L34 WeakPolarHBondContact O-CG 3.39Å; V30-L34 PolarHBondContact O-N 3.12Å; V30-M256 HydrophobicContact CB-CE 4.4Å; V30-M256 HydrophobicContact CG2-CE 3.79Å; V30-M256 HydrophobicContact CG2-SD 4.29Å; V30-F365 HydrophobicContact CG2-CD2 4.25Å; V30-F365 HydrophobicContact CG2-CE2 3.99Å |
| 31 | V | 95.6 | Very high | 93.5 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | L27 Y28 T33 L34 L35 | L27-V31 WeakPolarHBondContact O-CG2 3.18Å; L27-V31 PolarHBondContact O-N 3.26Å; Y28-V31 PolarHBondContact O-N 3.38Å; V31-T33 VanDerWaalsContact C-N 3.28Å; V31-T33 PolarHBondContact O-N 2.85Å; V31-L34 PolarHBondContact O-N 2.76Å; V31-L35 HydrophobicContact CG1-CD1 4.01Å; V31-L35 HydrophobicContact CG1-CG 4.33Å; V31-L35 WeakPolarHBondContact O-CG 3.34Å; V31-L35 PolarHBondContact O-N 3.46Å |
| 32 | I | 94.6 | Very high | 93.2 | Very high | 63 Ų | 63 | 62 Ų | 62 | 32% | 0.323 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 176.5 | -69.6 | 167.9 | 0 | 0 | 0 | 110.4 | Y28 P29 L34 L35 F36 Y361 | Y28-I32 WeakPolarHBondContact O-CB 3.28Å; Y28-I32 VanDerWaalsContact O-CG1 3.26Å; Y28-I32 WeakPolarHBondContact O-CG1 3.5Å; Y28-I32 PolarHBondContact O-N 3.13Å; P29-I32 PolarHBondContact O-N 2.9Å; I32-L34 PolarHBondContact O-N 3.01Å; I32-L35 PolarHBondContact O-N 3.39Å; I32-F36 HydrophobicContact CG2-CD2 3.49Å; I32-F36 VanDerWaalsContact CG2-CD2 3.49Å; I32-F36 HydrophobicContact CG2-CE2 3.38Å; I32-F36 WeakPolarHBondContact O-CD2 3.47Å; I32-F36 PolarHBondContact O-N 3.02Å; I32-Y361 WeakPolarHBondContact CG2-OH 3.39Å |
| 33 | T | 95.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 67.1 Ų | 67.1 | 8% | 0.08 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | P29 V30 V31 L35 S37 M256 F259 S260 Y361 | P29-T33 WeakPolarHBondContact O-CB 3.27Å; P29-T33 PolarHBondContact O-N 2.85Å; P29-T33 PolarHBondContact O-OG1 3.43Å; V30-T33 PolarHBondContact O-N 3.33Å; V31-T33 VanDerWaalsContact C-N 3.28Å; V31-T33 PolarHBondContact O-N 2.85Å; T33-L35 VanDerWaalsContact C-N 3.34Å; T33-L35 PolarHBondContact O-N 2.99Å; T33-S37 WeakPolarHBondContact O-CB 3.35Å; T33-S37 PolarHBondContact O-N 3.07Å; T33-S37 PolarHBondContact O-OG 3.2Å; T33-M256 HydrophobicContact CG2-CB 3.98Å; T33-M256 HydrophobicContact CG2-CG 4.14Å; T33-M256 WeakPolarHBondContact OG1-CE 3.41Å; T33-F259 HydrophobicContact CG2-CB 4.23Å; T33-S260 WeakPolarHBondContact CA-OG 3.18Å; T33-S260 PolarHBondContact OG1-OG 2.86Å; T33-Y361 WeakPolarHBondContact OG1-CE2 3.43Å; T33-Y361 PolarHBondContact OG1-OH 2.6Å; T33-Y361 VanDerWaalsContact OG1-OH 3.13Å |
| 34 | L | 94.3 | Very high | 92.6 | Very high | 122 Ų | 122 | 64.5 Ų | 64.5 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | 176.6 | -68.8 | 171.9 | 0 | 0 | 0 | 112.2 | V30 V31 I32 S37 A38 | V30-L34 HydrophobicContact CG1-CD1 4.37Å; V30-L34 WeakPolarHBondContact O-CG 3.39Å; V30-L34 PolarHBondContact O-N 3.12Å; V31-L34 PolarHBondContact O-N 2.76Å; I32-L34 PolarHBondContact O-N 3.01Å; L34-S37 PolarHBondContact O-N 2.95Å; L34-A38 PolarHBondContact O-N 2.92Å |
| 35 | L | 94.4 | Very high | 92.1 | Very high | 119 Ų | 119 | 66.5 Ų | 66.5 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.8 | -49.4 | 177.2 | -72.6 | 172.7 | 0 | 0 | 0 | 111.7 | V31 I32 T33 S37 A38 | V31-L35 HydrophobicContact CG1-CD1 4.01Å; V31-L35 HydrophobicContact CG1-CG 4.33Å; V31-L35 WeakPolarHBondContact O-CG 3.34Å; V31-L35 PolarHBondContact O-N 3.46Å; I32-L35 PolarHBondContact O-N 3.39Å; T33-L35 VanDerWaalsContact C-N 3.34Å; T33-L35 PolarHBondContact O-N 2.99Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.42Å; L35-A38 WeakPolarHBondContact O-CB 3.27Å; L35-A38 PolarHBondContact O-N 2.85Å |
| 36 | F | 94.2 | Very high | 91.6 | Very high | 68 Ų | 68 | 67.7 Ų | 67.7 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.8 | -33.5 | 177.6 | -72.8 | -50 | 0 | 0 | 0 | 112.4 | I32 A38 G39 G263 L264 F357 | I32-F36 HydrophobicContact CG2-CD2 3.49Å; I32-F36 VanDerWaalsContact CG2-CD2 3.49Å; I32-F36 HydrophobicContact CG2-CE2 3.38Å; I32-F36 WeakPolarHBondContact O-CD2 3.47Å; I32-F36 PolarHBondContact O-N 3.02Å; F36-A38 PolarHBondContact O-N 3.38Å; F36-A38 VanDerWaalsContact O-N 3.1Å; F36-G39 PolarHBondContact O-N 3Å; F36-G263 CarbonylContact O-C 3.59Å; F36-G263 WeakPolarHBondContact O-CA 3.4Å; F36-L264 HydrophobicContact CD1-CB 4.15Å; F36-L264 HydrophobicContact CD1-CD1 3.8Å; F36-L264 HydrophobicContact CE1-CD1 3.5Å; F36-L264 HydrophobicContact CZ-CD1 4.25Å; F36-F357 AromaticContact CD2-CE1 3.74Å; F36-F357 HydrophobicContact CD2-CE1 3.74Å; F36-F357 AromaticContact CD2-CZ 3.62Å; F36-F357 HydrophobicContact CD2-CZ 3.62Å; F36-F357 AromaticContact CE2-CE1 3.53Å; F36-F357 HydrophobicContact CE2-CE1 3.53Å; F36-F357 AromaticContact CE2-CZ 3.49Å; F36-F357 HydrophobicContact CE2-CZ 3.49Å; F36-F357 VanDerWaalsContact CE2-CZ 3.49Å; F36-F357 HydrophobicContact CG-CZ 4.37Å; F36-F357 HydrophobicContact CZ-CZ 4.17Å |
| 37 | S | 90.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 69.4 Ų | 69.4 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.8 | -20.9 | 173.6 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | T33 L34 L35 G39 L40 | T33-S37 WeakPolarHBondContact O-CB 3.35Å; T33-S37 PolarHBondContact O-N 3.07Å; T33-S37 PolarHBondContact O-OG 3.2Å; L34-S37 PolarHBondContact O-N 2.95Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.42Å; S37-G39 PolarHBondContact O-N 3.28Å; S37-L40 VanDerWaalsContact O-CB 3.24Å; S37-L40 WeakPolarHBondContact O-CB 3.43Å; S37-L40 WeakPolarHBondContact O-CD1 3.41Å; S37-L40 VanDerWaalsContact O-CG 3.23Å; S37-L40 WeakPolarHBondContact O-CG 3.37Å; S37-L40 PolarHBondContact O-N 3.05Å; S37-L40 VanDerWaalsContact O-N 3.11Å |
| 38 | A | 90.7 | Very high | 90.1 | Very high | 64 Ų | 64 | 66.3 Ų | 66.3 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -61.1 | -27.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L34 L35 F36 L40 S41 | L34-A38 PolarHBondContact O-N 2.92Å; L35-A38 WeakPolarHBondContact O-CB 3.27Å; L35-A38 PolarHBondContact O-N 2.85Å; F36-A38 PolarHBondContact O-N 3.38Å; F36-A38 VanDerWaalsContact O-N 3.1Å; A38-L40 PolarHBondContact O-N 3.28Å; A38-L40 VanDerWaalsContact O-N 3.11Å; A38-S41 WeakPolarHBondContact O-CB 3.22Å; A38-S41 PolarHBondContact O-N 2.95Å; A38-S41 PolarHBondContact O-OG 2.7Å |
| 39 | G | 89 | Confident | 89.5 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -62.5 | -15 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F36 S37 S41 N42 G263 L266 | F36-G39 PolarHBondContact O-N 3Å; S37-G39 PolarHBondContact O-N 3.28Å; G39-S41 PolarHBondContact O-N 3.08Å; G39-S41 VanDerWaalsContact O-N 3.1Å; G39-N42 PolarHBondContact O-N 3.31Å; G39-G263 WeakPolarHBondContact CA-O 3.28Å; G39-L266 WeakPolarHBondContact O-CB 3.33Å |
| 40 | L | 89 | Confident | 88.6 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -58.9 | -17.9 | 168.2 | -65.8 | 172.5 | 0 | 0 | 0 | 112.8 | S37 A38 N42 F43 F259 V262 L266 | S37-L40 VanDerWaalsContact O-CB 3.24Å; S37-L40 WeakPolarHBondContact O-CB 3.43Å; S37-L40 WeakPolarHBondContact O-CD1 3.41Å; S37-L40 VanDerWaalsContact O-CG 3.23Å; S37-L40 WeakPolarHBondContact O-CG 3.37Å; S37-L40 PolarHBondContact O-N 3.05Å; S37-L40 VanDerWaalsContact O-N 3.11Å; A38-L40 PolarHBondContact O-N 3.28Å; A38-L40 VanDerWaalsContact O-N 3.11Å; L40-N42 VanDerWaalsContact C-N 3.26Å; L40-N42 PolarHBondContact O-N 2.9Å; L40-F43 WeakPolarHBondContact O-CB 3.37Å; L40-F43 PolarHBondContact O-N 3.3Å; L40-F259 HydrophobicContact CD1-CD1 4.46Å; L40-V262 HydrophobicContact CD2-CG1 4.1Å; L40-L266 HydrophobicContact CD2-CD1 3.8Å |
| 41 | S | 88.6 | Confident | 88.1 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -65.6 | -28.9 | 172.9 | 68 | 0 | 0 | 0 | 0 | 113.2 | A38 G39 F43 | A38-S41 WeakPolarHBondContact O-CB 3.22Å; A38-S41 PolarHBondContact O-N 2.95Å; A38-S41 PolarHBondContact O-OG 2.7Å; G39-S41 PolarHBondContact O-N 3.08Å; G39-S41 VanDerWaalsContact O-N 3.1Å; S41-F43 PolarHBondContact O-N 3.39Å |
| 42 | N | 88.2 | Confident | 87.6 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -91.4 | 34.5 | -179.7 | -66.4 | -2.8 | 0 | 0 | 0 | 111.1 | G39 L40 S44 L266 | G39-N42 PolarHBondContact O-N 3.31Å; L40-N42 VanDerWaalsContact C-N 3.26Å; L40-N42 PolarHBondContact O-N 2.9Å; N42-S44 PolarHBondContact O-N 3.45Å; N42-L266 WeakPolarHBondContact CB-O 3.29Å |
| 43 | F | 87.7 | Confident | 87.3 | Confident | 113 Ų | 113 | 60.1 Ų | 60.1 | 50% | 0.496 | 32% | 0.323 | S | S | . | . | trans | -60.7 | 110.7 | -176.5 | -175.7 | -97.1 | 0 | 0 | 0 | 111.3 | L40 S41 Q45 L266 L272 | L40-F43 WeakPolarHBondContact O-CB 3.37Å; L40-F43 PolarHBondContact O-N 3.3Å; S41-F43 PolarHBondContact O-N 3.39Å; F43-Q45 HydrophobicContact CD1-CG 4.32Å; F43-Q45 HydrophobicContact CE1-CG 3.56Å; F43-Q45 HydrophobicContact CZ-CG 3.84Å; F43-L266 HydrophobicContact CD2-CD1 4.4Å; F43-L272 HydrophobicContact CD2-CD1 3.86Å; F43-L272 HydrophobicContact CE2-CD1 3.43Å; F43-L272 VanDerWaalsContact CE2-CD1 3.43Å; F43-L272 HydrophobicContact CZ-CD1 4.36Å | ||
| 44 | S | 87.1 | Confident | 86.9 | Confident | 40 Ų | 40 | 60 Ų | 60 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | trans | -120.9 | 148.4 | 173.2 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | N42 P271 L272 | N42-S44 PolarHBondContact O-N 3.45Å; S44-P271 VanDerWaalsContact OG-CA 3.27Å; S44-P271 WeakPolarHBondContact OG-CA 3.41Å; S44-P271 WeakPolarHBondContact OG-CB 3.46Å; S44-L272 PolarHBondContact O-N 3.5Å | ||
| 45 | Q | 84.8 | Confident | 86.6 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -125.4 | 133.7 | 179 | -66.4 | -177.4 | -10.3 | 0 | 0 | 110.1 | F43 L47 M208 L272 | F43-Q45 HydrophobicContact CD1-CG 4.32Å; F43-Q45 HydrophobicContact CE1-CG 3.56Å; F43-Q45 HydrophobicContact CZ-CG 3.84Å; Q45-L47 HydrophobicContact CB-CG 4.47Å; Q45-M208 HydrophobicContact CG-CE 4.26Å; Q45-M208 VanDerWaalsContact NE2-CE 3.28Å; Q45-L272 CarbonylContact C-O 3.59Å; Q45-L272 VanDerWaalsContact CA-O 3.25Å; Q45-L272 WeakPolarHBondContact CA-O 3.26Å |
| 46 | Q | 83.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | trans | -99 | 106.1 | 170.3 | -176.3 | 68.4 | -20.9 | 0 | 0 | 109 | L52 P271 L272 | Q46-L52 HydrophobicContact CB-CD2 4.48Å; Q46-L52 HydrophobicContact CG-CD1 4.2Å; Q46-L52 HydrophobicContact CG-CD2 3.91Å; Q46-L52 HydrophobicContact CG-CG 3.9Å; Q46-P271 HydrophobicContact CB-CB 3.9Å; Q46-P271 HydrophobicContact CB-CG 3.73Å; Q46-L272 PolarHBondContact N-O 3.36Å | ||
| 47 | L | 79.2 | Confident | 85.9 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | trans | -97.4 | -15.6 | -178.2 | -65.9 | 171 | 0 | 0 | 0 | 112.9 | Q45 L49 M204 M208 | Q45-L47 HydrophobicContact CB-CG 4.47Å; L47-L49 PolarHBondContact O-N 3.44Å; L47-L49 VanDerWaalsContact O-N 3.13Å; L47-M204 HydrophobicContact CB-CB 4.46Å; L47-M208 HydrophobicContact CD2-CB 3.44Å; L47-M208 VanDerWaalsContact CD2-CB 3.44Å; L47-M208 HydrophobicContact CD2-CG 3.62Å; L47-M208 HydrophobicContact CD2-SD 4.39Å | ||
| 48 | D | 79.5 | Confident | 85.8 | Confident | 36 Ų | 36 | 53.9 Ų | 53.9 | 19% | 0.193 | 30% | 0.304 | C | S | . | . | trans | -75 | 103.7 | -176.4 | -167.3 | -13.8 | 0 | 0 | 0 | 110.8 | D50 K51 L52 R200 | D48-D50 PolarHBondContact O-N 3.37Å; D48-D50 WeakPolarHBondContact OD1-CB 3.22Å; D48-D50 PolarHBondContact OD1-N 3.08Å; D48-K51 HydrophobicContact CB-CB 4.17Å; D48-K51 HydrophobicContact CB-CD 4.16Å; D48-K51 HydrophobicContact CB-CG 4.2Å; D48-K51 PolarHBondContact O-N 3.2Å; D48-L52 WeakPolarHBondContact O-CG 3.12Å; D48-L52 PolarHBondContact O-N 3.01Å; D48-R200 IonicContact OD1-NH2 3.21Å; D48-R200 PolarHBondContact OD1-NH2 2.98Å; D48-R200 IonicContact OD2-NH2 3.21Å; D48-R200 PolarHBondContact OD2-NH2 3.43Å | ||
| 49 | L | 80.8 | Confident | 85.8 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -33.1 | 178.7 | -65.9 | 171.3 | 0 | 0 | 0 | 111.8 | L47 L52 Y53 L203 M204 A207 L461 | L47-L49 PolarHBondContact O-N 3.44Å; L47-L49 VanDerWaalsContact O-N 3.13Å; L49-L52 PolarHBondContact O-N 3Å; L49-Y53 HydrophobicContact CB-CD2 4.29Å; L49-Y53 HydrophobicContact CD2-CD2 4.07Å; L49-Y53 HydrophobicContact CD2-CE2 3.65Å; L49-Y53 WeakPolarHBondContact O-CB 3.38Å; L49-Y53 VanDerWaalsContact O-CD2 3.3Å; L49-Y53 WeakPolarHBondContact O-CD2 3.38Å; L49-Y53 PolarHBondContact O-N 3.46Å; L49-L203 HydrophobicContact CD1-CD2 4.17Å; L49-L203 HydrophobicContact CD1-CG 4.12Å; L49-M204 HydrophobicContact CB-CE 3.81Å; L49-M204 HydrophobicContact CB-SD 3.62Å; L49-M204 HydrophobicContact CD1-CE 4.15Å; L49-M204 HydrophobicContact CD1-SD 3.44Å; L49-M204 WeakPolarHBondContact CD1-SD 3.45Å; L49-M204 HydrophobicContact CG-CE 4.09Å; L49-M204 HydrophobicContact CG-SD 3.25Å; L49-M204 WeakPolarHBondContact CG-SD 3.49Å; L49-M204 PolarHBondContact N-SD 2.68Å; L49-M204 VanDerWaalsContact N-SD 3.41Å; L49-A207 HydrophobicContact CD1-CB 4.35Å; L49-A207 HydrophobicContact CD2-CB 4.49Å; L49-L461 HydrophobicContact CD1-CD1 4.03Å; L49-L461 HydrophobicContact CD2-CD1 3.54Å; L49-L461 HydrophobicContact CG-CD1 4.35Å |
| 50 | D | 77.6 | Confident | 85.8 | Confident | 48 Ų | 48 | 54 Ų | 54 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | -177.3 | -57.2 | -38.2 | 0 | 0 | 0 | 109.1 | D48 L52 T54 R200 | D48-D50 PolarHBondContact O-N 3.37Å; D48-D50 WeakPolarHBondContact OD1-CB 3.22Å; D48-D50 PolarHBondContact OD1-N 3.08Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.16Å; D50-T54 WeakPolarHBondContact O-CB 3.11Å; D50-T54 PolarHBondContact O-N 3.47Å; D50-T54 PolarHBondContact O-OG1 2.9Å; D50-R200 IonicContact OD2-CZ 3.66Å; D50-R200 IonicContact OD2-NE 3.35Å; D50-R200 PolarHBondContact OD2-NE 2.91Å; D50-R200 IonicContact OD2-NH2 2.82Å; D50-R200 PolarHBondContact OD2-NH2 3.45Å |
| 51 | K | 83.7 | Confident | 85.7 | Confident | 133 Ų | 133 | 54.3 Ų | 54.3 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.2 | -31 | 174.2 | -69.6 | -177.1 | -179.8 | -172.9 | 0 | 113.8 | D48 P342 | D48-K51 HydrophobicContact CB-CB 4.17Å; D48-K51 HydrophobicContact CB-CD 4.16Å; D48-K51 HydrophobicContact CB-CG 4.2Å; D48-K51 PolarHBondContact O-N 3.2Å; K51-P342 WeakPolarHBondContact O-CG 3.28Å |
| 52 | L | 85.8 | Confident | 85.8 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.3 | -34.2 | -178.1 | -75.7 | 171 | 0 | 0 | 0 | 113 | Q46 D48 L49 D50 N273 A343 | Q46-L52 HydrophobicContact CB-CD2 4.48Å; Q46-L52 HydrophobicContact CG-CD1 4.2Å; Q46-L52 HydrophobicContact CG-CD2 3.91Å; Q46-L52 HydrophobicContact CG-CG 3.9Å; D48-L52 WeakPolarHBondContact O-CG 3.12Å; D48-L52 PolarHBondContact O-N 3.01Å; L49-L52 PolarHBondContact O-N 3Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.16Å; L52-N273 HydrophobicContact CD1-CB 3.83Å; L52-N273 HydrophobicContact CD2-CB 4Å; L52-A343 HydrophobicContact CB-CB 4.27Å; L52-A343 VanDerWaalsContact O-CB 3.23Å; L52-A343 WeakPolarHBondContact O-CB 3.34Å; L52-A343 PolarHBondContact O-N 3.38Å |
| 53 | Y | 88.1 | Confident | 85.8 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -114.3 | -0.6 | -169.5 | -67.3 | -71.5 | 0 | 0 | 0 | 114.1 | L49 T275 A343 F456 L461 Q629 P689 | L49-Y53 HydrophobicContact CB-CD2 4.29Å; L49-Y53 HydrophobicContact CD2-CD2 4.07Å; L49-Y53 HydrophobicContact CD2-CE2 3.65Å; L49-Y53 WeakPolarHBondContact O-CB 3.38Å; L49-Y53 VanDerWaalsContact O-CD2 3.3Å; L49-Y53 WeakPolarHBondContact O-CD2 3.38Å; L49-Y53 PolarHBondContact O-N 3.46Å; Y53-T275 WeakPolarHBondContact OH-CG2 3.46Å; Y53-A343 HydrophobicContact CD1-CB 4.11Å; Y53-A343 HydrophobicContact CE1-CB 3.85Å; Y53-F456 AromaticContact CD1-CE1 3.96Å; Y53-F456 HydrophobicContact CD1-CE1 3.96Å; Y53-F456 HydrophobicContact CD1-CE2 4.42Å; Y53-F456 AromaticContact CD1-CZ 3.58Å; Y53-F456 HydrophobicContact CD1-CZ 3.58Å; Y53-F456 HydrophobicContact CD2-CE1 4.19Å; Y53-F456 AromaticContact CD2-CZ 4Å; Y53-F456 HydrophobicContact CD2-CZ 4Å; Y53-F456 HydrophobicContact CE1-CE1 4.45Å; Y53-F456 HydrophobicContact CE1-CE2 4.23Å; Y53-F456 AromaticContact CE1-CZ 3.63Å; Y53-F456 HydrophobicContact CE1-CZ 3.63Å; Y53-F456 HydrophobicContact CE2-CZ 4.08Å; Y53-F456 AromaticContact CG-CE1 3.8Å; Y53-F456 HydrophobicContact CG-CE1 3.8Å; Y53-F456 AromaticContact CG-CZ 3.76Å; Y53-F456 HydrophobicContact CG-CZ 3.76Å; Y53-F456 AromaticContact CZ-CZ 3.88Å; Y53-L461 HydrophobicContact CD2-CD1 4.33Å; Y53-L461 HydrophobicContact CE2-CD1 3.76Å; Y53-L461 HydrophobicContact CE2-CD2 4.48Å; Y53-Q629 PolarHBondContact O-NE2 3.2Å; Y53-P689 HydrophobicContact CD1-CB 3.91Å; Y53-P689 HydrophobicContact CD1-CG 3.86Å; Y53-P689 HydrophobicContact CE1-CB 3.98Å; Y53-P689 HydrophobicContact CE1-CG 4.32Å |
| 54 | T | 87.3 | Confident | 85.7 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -80.1 | 129.7 | 167.9 | -63.8 | 0 | 0 | 0 | 0 | 109.5 | D50 H56 S58 F60 E61 P342 F625 | D50-T54 WeakPolarHBondContact O-CB 3.11Å; D50-T54 PolarHBondContact O-N 3.47Å; D50-T54 PolarHBondContact O-OG1 2.9Å; T54-H56 PolarHBondContact O-N 2.83Å; T54-S58 VanDerWaalsContact CG2-OG 3.24Å; T54-S58 WeakPolarHBondContact CG2-OG 3.31Å; T54-F60 HydrophobicContact CG2-CD1 3.65Å; T54-F60 HydrophobicContact CG2-CE1 4.25Å; T54-F60 WeakPolarHBondContact OG1-CE1 3.21Å; T54-E61 HydrophobicContact CG2-CB 4.15Å; T54-P342 WeakPolarHBondContact O-CD 3.48Å; T54-F625 VanDerWaalsContact OG1-CD2 3.31Å; T54-F625 WeakPolarHBondContact OG1-CD2 3.45Å; T54-F625 WeakPolarHBondContact OG1-CE2 3.28Å |
| 55 | P | 89.3 | Confident | 85.6 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 131.3 | 173.3 | -15 | 28.5 | 0 | 0 | 0 | 110.7 | G57 S58 E340 M341 S632 | P55-G57 PolarHBondContact O-N 2.93Å; P55-S58 WeakPolarHBondContact O-CB 3.16Å; P55-S58 PolarHBondContact O-N 3.47Å; P55-S58 PolarHBondContact O-OG 3.22Å; P55-E340 CarbonylContact C-O 3.55Å; P55-E340 WeakPolarHBondContact CA-O 3.32Å; P55-E340 HydrophobicContact CB-CB 3.87Å; P55-M341 HydrophobicContact CG-CE 4.43Å; P55-S632 WeakPolarHBondContact CG-OG 3.35Å |
| 56 | H | 87.4 | Confident | 85.7 | Confident | 127 Ų | 127 | 46.2 Ų | 46.2 | 59% | 0.588 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 129.8 | 177.8 | -171 | -64.5 | 0 | 0 | 0 | 110.4 | T54 S58 E61 E340 | T54-H56 PolarHBondContact O-N 2.83Å; H56-S58 VanDerWaalsContact C-N 3.27Å; H56-E61 WeakPolarHBondContact CA-OE2 3.45Å; H56-E340 PolarHBondContact N-O 3.29Å |
| 57 | G | 86.1 | Confident | 85.7 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 66% | 0.66 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 10.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | P55 E61 | P55-G57 PolarHBondContact O-N 2.93Å; G57-E61 PolarHBondContact N-OE2 3.16Å |
| 58 | S | 88.8 | Confident | 85.6 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | trans | -66.5 | 151 | 172.2 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | T54 P55 H56 F60 E61 A62 | T54-S58 VanDerWaalsContact CG2-OG 3.24Å; T54-S58 WeakPolarHBondContact CG2-OG 3.31Å; P55-S58 WeakPolarHBondContact O-CB 3.16Å; P55-S58 PolarHBondContact O-N 3.47Å; P55-S58 PolarHBondContact O-OG 3.22Å; H56-S58 VanDerWaalsContact C-N 3.27Å; S58-F60 PolarHBondContact O-N 3.36Å; S58-E61 WeakPolarHBondContact O-CB 3.46Å; S58-E61 PolarHBondContact O-N 3.25Å; S58-E61 VanDerWaalsContact O-N 3.1Å; S58-E61 PolarHBondContact OG-N 3.31Å; S58-A62 PolarHBondContact O-N 3.01Å | ||
| 59 | P | 89.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.9 | -35.1 | 174.2 | -22.2 | 31.1 | 0 | 0 | 0 | 112.6 | E61 A62 E63 R605 D628 | P59-E61 VanDerWaalsContact C-N 3.3Å; P59-E61 PolarHBondContact O-N 3.48Å; P59-A62 PolarHBondContact O-N 2.89Å; P59-E63 WeakPolarHBondContact O-CB 3.34Å; P59-E63 WeakPolarHBondContact O-CG 3.39Å; P59-E63 PolarHBondContact O-N 3.31Å; P59-R605 VanDerWaalsContact CB-CZ 3.48Å; P59-D628 WeakPolarHBondContact CD-OD2 3.4Å |
| 60 | F | 89.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.7 | -38.7 | 175.3 | 172.4 | -110.5 | 0 | 0 | 0 | 113 | T54 S58 E63 T64 Y619 A621 A624 F625 D628 | T54-F60 HydrophobicContact CG2-CD1 3.65Å; T54-F60 HydrophobicContact CG2-CE1 4.25Å; T54-F60 WeakPolarHBondContact OG1-CE1 3.21Å; S58-F60 PolarHBondContact O-N 3.36Å; F60-E63 PolarHBondContact O-N 2.96Å; F60-T64 VanDerWaalsContact CE2-OG1 3.22Å; F60-T64 WeakPolarHBondContact CE2-OG1 3.23Å; F60-T64 WeakPolarHBondContact CZ-OG1 3.15Å; F60-T64 VanDerWaalsContact O-CB 3.29Å; F60-T64 WeakPolarHBondContact O-CB 3.33Å; F60-T64 PolarHBondContact O-N 3.05Å; F60-T64 PolarHBondContact O-OG1 3.45Å; F60-Y619 HydrophobicContact CD2-CE2 4.35Å; F60-Y619 AromaticContact CE2-CE2 3.93Å; F60-Y619 HydrophobicContact CE2-CE2 3.93Å; F60-A621 VanDerWaalsContact CE2-O 3.3Å; F60-A621 WeakPolarHBondContact CE2-O 3.44Å; F60-A624 HydrophobicContact CB-CB 4.48Å; F60-A624 HydrophobicContact CD2-CB 3.55Å; F60-A624 HydrophobicContact CE2-CB 4.24Å; F60-A624 HydrophobicContact CG-CB 4.35Å; F60-F625 HydrophobicContact CD1-CB 4.15Å; F60-F625 HydrophobicContact CD1-CD2 4.19Å; F60-F625 HydrophobicContact CD2-CB 4.48Å; F60-F625 HydrophobicContact CE1-CB 3.82Å; F60-F625 AromaticContact CE1-CD2 3.77Å; F60-F625 HydrophobicContact CE1-CD2 3.77Å; F60-F625 HydrophobicContact CE1-CG 4.28Å; F60-F625 HydrophobicContact CE2-CB 4.15Å; F60-F625 HydrophobicContact CG-CB 4.48Å; F60-F625 HydrophobicContact CZ-CB 3.81Å; F60-F625 HydrophobicContact CZ-CD2 4.46Å; F60-D628 HydrophobicContact CB-CB 4.3Å; F60-D628 WeakPolarHBondContact CB-OD2 3.21Å; F60-D628 PolarHBondContact N-OD2 3.38Å |
| 61 | E | 87.6 | Confident | 85 | Confident | 80 Ų | 80 | 48.6 Ų | 48.6 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 176.8 | -174.2 | 176 | -164.5 | 0 | 0 | 111.1 | T54 H56 G57 S58 P59 T64 E65 | T54-E61 HydrophobicContact CG2-CB 4.15Å; H56-E61 WeakPolarHBondContact CA-OE2 3.45Å; G57-E61 PolarHBondContact N-OE2 3.16Å; S58-E61 WeakPolarHBondContact O-CB 3.46Å; S58-E61 PolarHBondContact O-N 3.25Å; S58-E61 VanDerWaalsContact O-N 3.1Å; S58-E61 PolarHBondContact OG-N 3.31Å; P59-E61 VanDerWaalsContact C-N 3.3Å; P59-E61 PolarHBondContact O-N 3.48Å; E61-T64 PolarHBondContact O-N 3.37Å; E61-E65 PolarHBondContact O-N 3.27Å |
| 62 | A | 88.9 | Confident | 84.2 | Confident | 62 Ų | 62 | 47.8 Ų | 47.8 | 51% | 0.512 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S58 P59 E65 A66 | S58-A62 PolarHBondContact O-N 3.01Å; P59-A62 PolarHBondContact O-N 2.89Å; A62-E65 PolarHBondContact O-N 2.89Å; A62-A66 WeakPolarHBondContact O-CB 3.36Å; A62-A66 PolarHBondContact O-N 3.38Å |
| 63 | E | 89.5 | Confident | 83.1 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.7 | -71 | 162.9 | -177.8 | 0 | 0 | 110.8 | P59 F60 A66 V67 R605 I617 Y619 | P59-E63 WeakPolarHBondContact O-CB 3.34Å; P59-E63 WeakPolarHBondContact O-CG 3.39Å; P59-E63 PolarHBondContact O-N 3.31Å; F60-E63 PolarHBondContact O-N 2.96Å; E63-A66 PolarHBondContact O-N 2.48Å; E63-V67 WeakPolarHBondContact O-CB 3.35Å; E63-V67 VanDerWaalsContact O-CG2 3.27Å; E63-V67 WeakPolarHBondContact O-CG2 3.3Å; E63-V67 PolarHBondContact O-N 3.35Å; E63-R605 IonicContact OE1-CZ 3.49Å; E63-R605 IonicContact OE1-NE 3.94Å; E63-R605 PolarHBondContact OE1-NE 2.91Å; E63-R605 IonicContact OE1-NH2 2.87Å; E63-R605 PolarHBondContact OE1-NH2 2.94Å; E63-R605 IonicContact OE2-NH2 2.72Å; E63-R605 PolarHBondContact OE2-NH2 3.32Å; E63-I617 HydrophobicContact CB-CG2 4.07Å; E63-I617 HydrophobicContact CG-CG2 4.01Å; E63-Y619 HydrophobicContact CB-CD2 4.36Å |
| 64 | T | 85.6 | Confident | 81.6 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 15% | 0.153 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 111 | F60 E61 A66 V67 E68 Y619 | F60-T64 VanDerWaalsContact CE2-OG1 3.22Å; F60-T64 WeakPolarHBondContact CE2-OG1 3.23Å; F60-T64 WeakPolarHBondContact CZ-OG1 3.15Å; F60-T64 VanDerWaalsContact O-CB 3.29Å; F60-T64 WeakPolarHBondContact O-CB 3.33Å; F60-T64 PolarHBondContact O-N 3.05Å; F60-T64 PolarHBondContact O-OG1 3.45Å; E61-T64 PolarHBondContact O-N 3.37Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 3.29Å; T64-V67 PolarHBondContact O-N 3.38Å; T64-E68 HydrophobicContact CG2-CG 4.44Å; T64-E68 WeakPolarHBondContact O-CB 3.17Å; T64-E68 WeakPolarHBondContact O-CG 3.34Å; T64-E68 PolarHBondContact O-N 3.13Å; T64-Y619 PolarHBondContact OG1-OH 2.95Å |
| 65 | E | 85.3 | Confident | 80 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 45% | 0.453 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.8 | -162.9 | -171.2 | 175.9 | 0 | 0 | 111.5 | E61 A62 E68 R69 | E61-E65 PolarHBondContact O-N 3.27Å; A62-E65 PolarHBondContact O-N 2.89Å; E65-E68 PolarHBondContact O-N 3.18Å; E65-R69 VanDerWaalsContact O-CG 3.29Å; E65-R69 WeakPolarHBondContact O-CG 3.49Å; E65-R69 PolarHBondContact O-N 3.36Å; E65-R69 IonicContact OE1-CZ 3.92Å; E65-R69 IonicContact OE1-NE 3.62Å; E65-R69 IonicContact OE1-NH2 2.62Å; E65-R69 PolarHBondContact OE1-NH2 2.99Å; E65-R69 IonicContact OE2-CZ 2.91Å; E65-R69 IonicContact OE2-NH2 3.68Å; E65-R69 PolarHBondContact OE2-NH2 2.98Å |
| 66 | A | 86.3 | Confident | 78.2 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A62 E63 T64 R69 F70 I617 | A62-A66 WeakPolarHBondContact O-CB 3.36Å; A62-A66 PolarHBondContact O-N 3.38Å; E63-A66 PolarHBondContact O-N 2.48Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 3.29Å; A66-R69 PolarHBondContact O-N 3.38Å; A66-F70 PolarHBondContact O-N 2.93Å; A66-I617 HydrophobicContact CB-CD1 3.45Å; A66-I617 VanDerWaalsContact CB-CD1 3.45Å |
| 67 | V | 83.4 | Confident | 76.4 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 111 | E63 T64 R69 F70 W71 F488 I617 Y619 | E63-V67 WeakPolarHBondContact O-CB 3.35Å; E63-V67 VanDerWaalsContact O-CG2 3.27Å; E63-V67 WeakPolarHBondContact O-CG2 3.3Å; E63-V67 PolarHBondContact O-N 3.35Å; T64-V67 PolarHBondContact O-N 3.38Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 2.96Å; V67-F70 VanDerWaalsContact O-CB 3.31Å; V67-F70 WeakPolarHBondContact O-CB 3.31Å; V67-F70 PolarHBondContact O-N 2.99Å; V67-F70 VanDerWaalsContact O-N 3.12Å; V67-W71 PolarHBondContact O-N 3.27Å; V67-W71 VanDerWaalsContact O-N 3.1Å; V67-F488 HydrophobicContact CG1-CE1 4.25Å; V67-F488 HydrophobicContact CG1-CE2 3.93Å; V67-F488 HydrophobicContact CG1-CZ 3.72Å; V67-F488 HydrophobicContact CG2-CD2 3.73Å; V67-F488 HydrophobicContact CG2-CE2 3.74Å; V67-F488 HydrophobicContact CG2-CG 4.23Å; V67-F488 HydrophobicContact CG2-CZ 4.26Å; V67-I617 HydrophobicContact CG2-CG2 4.46Å; V67-Y619 HydrophobicContact CG1-CD1 4.24Å; V67-Y619 HydrophobicContact CG1-CE1 4.2Å; V67-Y619 HydrophobicContact CG2-CD1 4.16Å; V67-Y619 HydrophobicContact CG2-CD2 3.93Å; V67-Y619 HydrophobicContact CG2-CE2 4.4Å; V67-Y619 HydrophobicContact CG2-CG 3.8Å |
| 68 | E | 78.1 | Confident | 74.4 | Confident | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 175.8 | -74.9 | -175.3 | 169.5 | 0 | 0 | 111.9 | T64 E65 F70 W71 N72 | T64-E68 HydrophobicContact CG2-CG 4.44Å; T64-E68 WeakPolarHBondContact O-CB 3.17Å; T64-E68 WeakPolarHBondContact O-CG 3.34Å; T64-E68 PolarHBondContact O-N 3.13Å; E65-E68 PolarHBondContact O-N 3.18Å; E68-F70 VanDerWaalsContact C-N 3.32Å; E68-F70 PolarHBondContact O-N 2.72Å; E68-W71 PolarHBondContact O-N 3.28Å; E68-N72 WeakPolarHBondContact O-CB 3.38Å; E68-N72 PolarHBondContact O-N 3.38Å; E68-N72 PolarHBondContact O-ND2 3.13Å |
| 69 | R | 79.1 | Confident | 72.6 | Confident | 149 Ų | 149 | 57.5 Ų | 57.5 | 56% | 0.562 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 172.2 | -70.1 | 177.1 | -159.9 | 155.2 | 0.1 | 112.1 | E65 A66 V67 W71 N72 S73 | E65-R69 VanDerWaalsContact O-CG 3.29Å; E65-R69 WeakPolarHBondContact O-CG 3.49Å; E65-R69 PolarHBondContact O-N 3.36Å; E65-R69 IonicContact OE1-CZ 3.92Å; E65-R69 IonicContact OE1-NE 3.62Å; E65-R69 IonicContact OE1-NH2 2.62Å; E65-R69 PolarHBondContact OE1-NH2 2.99Å; E65-R69 IonicContact OE2-CZ 2.91Å; E65-R69 IonicContact OE2-NH2 3.68Å; E65-R69 PolarHBondContact OE2-NH2 2.98Å; A66-R69 PolarHBondContact O-N 3.38Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 2.96Å; R69-W71 VanDerWaalsContact C-N 3.27Å; R69-W71 PolarHBondContact O-N 3.22Å; R69-N72 PolarHBondContact O-N 3.39Å; R69-S73 PolarHBondContact O-N 3.04Å |
| 70 | F | 77.2 | Confident | 70.8 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 175.8 | 179.5 | -84.7 | 0 | 0 | 0 | 111.2 | A66 V67 E68 S73 N76 F488 R565 Y583 | A66-F70 PolarHBondContact O-N 2.93Å; V67-F70 VanDerWaalsContact O-CB 3.31Å; V67-F70 WeakPolarHBondContact O-CB 3.31Å; V67-F70 PolarHBondContact O-N 2.99Å; V67-F70 VanDerWaalsContact O-N 3.12Å; E68-F70 VanDerWaalsContact C-N 3.32Å; E68-F70 PolarHBondContact O-N 2.72Å; F70-S73 PolarHBondContact O-OG 3.46Å; F70-N76 PolarHBondContact O-ND2 3.42Å; F70-F488 HydrophobicContact CB-CD1 4.46Å; F70-F488 AromaticContact CD1-CD1 3.68Å; F70-F488 HydrophobicContact CD1-CD1 3.68Å; F70-F488 AromaticContact CD1-CE1 3.63Å; F70-F488 HydrophobicContact CD1-CE1 3.63Å; F70-F488 HydrophobicContact CD2-CD1 4.14Å; F70-F488 AromaticContact CE1-CD1 3.87Å; F70-F488 HydrophobicContact CE1-CD1 3.87Å; F70-F488 AromaticContact CE1-CE1 3.85Å; F70-F488 HydrophobicContact CE1-CE1 3.85Å; F70-F488 HydrophobicContact CE2-CD1 4.28Å; F70-F488 AromaticContact CG-CD1 3.84Å; F70-F488 HydrophobicContact CG-CD1 3.84Å; F70-F488 HydrophobicContact CG-CE1 4.19Å; F70-F488 HydrophobicContact CZ-CD1 4.16Å; F70-R565 HydrophobicContact CE1-CG 4.15Å; F70-R565 HydrophobicContact CE2-CG 4.02Å; F70-R565 HydrophobicContact CZ-CG 3.67Å; F70-Y583 AromaticContact CE1-CD1 3.97Å; F70-Y583 HydrophobicContact CE1-CD1 3.97Å; F70-Y583 HydrophobicContact CZ-CD1 4.28Å |
| 71 | W | 68.8 | Low | 69.2 | Low | 34 Ų | 34 | 60 Ų | 60 | 13% | 0.129 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -79.8 | -34.7 | 178.9 | -65 | 113.1 | 0 | 0 | 0 | 114.1 | V67 E68 R69 S73 N76 A78 F488 Y583 | V67-W71 PolarHBondContact O-N 3.27Å; V67-W71 VanDerWaalsContact O-N 3.1Å; E68-W71 PolarHBondContact O-N 3.28Å; R69-W71 VanDerWaalsContact C-N 3.27Å; R69-W71 PolarHBondContact O-N 3.22Å; W71-S73 VanDerWaalsContact C-N 3.35Å; W71-S73 PolarHBondContact O-N 3.46Å; W71-N76 PolarHBondContact O-ND2 3.41Å; W71-A78 VanDerWaalsContact CE3-C 3.45Å; W71-A78 HydrophobicContact CE3-CB 3.75Å; W71-A78 HydrophobicContact CZ3-CB 3.42Å; W71-A78 VanDerWaalsContact CZ3-CB 3.42Å; W71-F488 AromaticContact CE2-CE1 3.91Å; W71-F488 AromaticContact CZ2-CE1 3.81Å; W71-F488 HydrophobicContact CZ2-CE1 3.81Å; W71-F488 AromaticContact CZ2-CZ 3.9Å; W71-F488 HydrophobicContact CZ2-CZ 3.9Å; W71-F488 AromaticContact NE1-CE1 3.83Å; W71-F488 AromaticContact NE1-CZ 3.77Å; W71-Y583 HydrophobicContact CH2-CD1 4.02Å; W71-Y583 AromaticContact CH2-CE1 3.24Å; W71-Y583 HydrophobicContact CH2-CE1 3.24Å; W71-Y583 AromaticContact CH2-CZ 3.75Å; W71-Y583 HydrophobicContact CZ2-CD1 4.2Å; W71-Y583 AromaticContact CZ2-CE1 3.82Å; W71-Y583 HydrophobicContact CZ2-CE1 3.82Å; W71-Y583 HydrophobicContact CZ3-CE1 4.09Å |
| 72 | N | 65.8 | Low | 68 | Low | 115 Ų | 115 | 58.9 Ų | 58.9 | 62% | 0.615 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -84.7 | 0 | -174.6 | -73.5 | -24.3 | 0 | 0 | 0 | 114.9 | E68 R69 | E68-N72 WeakPolarHBondContact O-CB 3.38Å; E68-N72 PolarHBondContact O-N 3.38Å; E68-N72 PolarHBondContact O-ND2 3.13Å; R69-N72 PolarHBondContact O-N 3.39Å |
| 73 | S | 63.4 | Low | 67.2 | Low | 28 Ų | 28 | 59.2 Ų | 59.2 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -66.6 | 142.2 | 178.6 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | R69 F70 W71 D75 N76 R565 | R69-S73 PolarHBondContact O-N 3.04Å; F70-S73 PolarHBondContact O-OG 3.46Å; W71-S73 VanDerWaalsContact C-N 3.35Å; W71-S73 PolarHBondContact O-N 3.46Å; S73-D75 PolarHBondContact O-N 2.84Å; S73-N76 PolarHBondContact O-N 3.07Å; S73-N76 PolarHBondContact OG-ND2 2.98Å; S73-N76 VanDerWaalsContact OG-ND2 3.13Å; S73-N76 PolarHBondContact OG-OD1 3.15Å; S73-R565 PolarHBondContact OG-NE 3.1Å; S73-R565 PolarHBondContact OG-NH1 3.24Å; S73-R565 PolarHBondContact OG-NH2 3.3Å |
| 74 | D | 57.1 | Low | 66.4 | Low | 174 Ų | 174 | 58.1 Ų | 58.1 | 93% | 0.93 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -21.8 | 179.9 | -67.4 | -36.9 | 0 | 0 | 0 | 114.5 | N76 | D74-N76 VanDerWaalsContact C-N 3.25Å; D74-N76 PolarHBondContact O-N 3.3Å |
| 75 | D | 53.6 | Low | 66 | Low | 45 Ų | 45 | 57.6 Ų | 57.6 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -2.4 | -177 | -71 | -24.7 | 0 | 0 | 0 | 115.2 | S73 R565 R567 | S73-D75 PolarHBondContact O-N 2.84Å; D75-R565 IonicContact OD2-NH2 2.9Å; D75-R567 IonicContact OD1-CZ 2.79Å; D75-R567 VanDerWaalsContact OD1-CZ 3.26Å; D75-R567 IonicContact OD1-NE 2.97Å; D75-R567 PolarHBondContact OD1-NE 3.1Å; D75-R567 IonicContact OD1-NH2 3.61Å; D75-R567 PolarHBondContact OD1-NH2 3.2Å; D75-R567 IonicContact OD2-CZ 3.9Å; D75-R567 VanDerWaalsContact OD2-CZ 3.25Å; D75-R567 IonicContact OD2-NE 3.14Å; D75-R567 PolarHBondContact OD2-NE 3.08Å; D75-R567 IonicContact OD2-NH2 3.75Å; D75-R567 PolarHBondContact OD2-NH2 3.24Å |
| 76 | N | 51.3 | Low | 65.7 | Low | 15 Ų | 15 | 53.2 Ų | 53.2 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | trans | -106.5 | 126.4 | -159.8 | -77.6 | 2.6 | 0 | 0 | 0 | 116.5 | F70 W71 S73 D74 A78 K79 R565 | F70-N76 PolarHBondContact O-ND2 3.42Å; W71-N76 PolarHBondContact O-ND2 3.41Å; S73-N76 PolarHBondContact O-N 3.07Å; S73-N76 PolarHBondContact OG-ND2 2.98Å; S73-N76 VanDerWaalsContact OG-ND2 3.13Å; S73-N76 PolarHBondContact OG-OD1 3.15Å; D74-N76 VanDerWaalsContact C-N 3.25Å; D74-N76 PolarHBondContact O-N 3.3Å; N76-A78 HydrophobicContact CB-CB 4.3Å; N76-A78 VanDerWaalsContact CB-O 3.25Å; N76-A78 WeakPolarHBondContact CB-O 3.49Å; N76-A78 PolarHBondContact ND2-O 3.25Å; N76-K79 WeakPolarHBondContact O-CE 3.21Å; N76-R565 WeakPolarHBondContact OD1-CB 3.39Å; N76-R565 WeakPolarHBondContact OD1-CD 3.23Å; N76-R565 WeakPolarHBondContact OD1-CG 3.14Å; N76-R565 PolarHBondContact OD1-NE 3.3Å | ||
| 77 | N | 49.5 | Very low | 65.4 | Low | 113 Ų | 113 | 52.7 Ų | 52.7 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -69.2 | -21.6 | 149.4 | -67.9 | -35.8 | 0 | 0 | 0 | 112.1 | L561 | N77-L561 HydrophobicContact CB-CD2 4.49Š|
| 78 | A | 44.4 | Very low | 65.3 | Low | 5 Ų | 5 | 52.7 Ų | 52.7 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | trans | -88.1 | 114.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110 | W71 N76 | W71-A78 VanDerWaalsContact CE3-C 3.45Å; W71-A78 HydrophobicContact CE3-CB 3.75Å; W71-A78 HydrophobicContact CZ3-CB 3.42Å; W71-A78 VanDerWaalsContact CZ3-CB 3.42Å; N76-A78 HydrophobicContact CB-CB 4.3Å; N76-A78 VanDerWaalsContact CB-O 3.25Å; N76-A78 WeakPolarHBondContact CB-O 3.49Å; N76-A78 PolarHBondContact ND2-O 3.25Å | ||
| 79 | K | 51.3 | Low | 65.3 | Low | 64 Ų | 64 | 49.4 Ų | 49.4 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | trans | -131 | 156.4 | -175.6 | -56.5 | 165.5 | 178.4 | -175.8 | 0 | 110.3 | N76 S81 V162 T163 N164 | N76-K79 WeakPolarHBondContact O-CE 3.21Å; K79-S81 PolarHBondContact O-N 2.75Å; K79-V162 HydrophobicContact CB-CG1 3.59Å; K79-V162 HydrophobicContact CG-CG1 4.49Å; K79-T163 WeakPolarHBondContact CB-O 3.42Å; K79-N164 HydrophobicContact CD-CB 3.54Å; K79-N164 WeakPolarHBondContact CD-OD1 3.32Å; K79-N164 VanDerWaalsContact NZ-CB 3.33Å; K79-N164 PolarHBondContact NZ-ND2 2.66Å | ||
| 80 | Q | 50.3 | Low | 65.2 | Low | 58 Ų | 58 | 44.4 Ų | 44.4 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | trans | -50.8 | 128 | -172.3 | -167 | 174.6 | 14.5 | 0 | 0 | 110.8 | T163 | Q80-T163 PolarHBondContact O-N 3.07Š| ||
| 81 | S | 56.1 | Low | 65 | Low | 64 Ų | 64 | 50.2 Ų | 50.2 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.6 | 178.7 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | K79 L83 I161 | K79-S81 PolarHBondContact O-N 2.75Å; S81-L83 PolarHBondContact O-N 3.21Å; S81-I161 CarbonylContact C-O 3.53Å; S81-I161 WeakPolarHBondContact CA-O 3.28Å |
| 82 | Y | 62.7 | Low | 65.1 | Low | 57 Ų | 57 | 50.4 Ų | 50.4 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 114.4 | 164.3 | -91 | -92.1 | 0 | 0 | 0 | 108.7 | V84 I161 T163 M169 V172 | Y82-V84 PolarHBondContact O-N 3.43Å; Y82-I161 PolarHBondContact N-O 3.22Å; Y82-I161 PolarHBondContact O-N 2.99Å; Y82-T163 HydrophobicContact CD2-CG2 3.87Å; Y82-T163 HydrophobicContact CE2-CG2 4.44Å; Y82-M169 HydrophobicContact CE2-CG 3.97Å; Y82-M169 HydrophobicContact CE2-SD 3.9Å; Y82-M169 PolarHBondContact OH-SD 3.47Å; Y82-V172 HydrophobicContact CG-CG1 4.21Å |
| 83 | L | 71.5 | Confident | 65.6 | Low | 70 Ų | 70 | 47.3 Ų | 47.3 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 111.9 | 177.8 | -165.1 | 66 | 0 | 0 | 0 | 110.2 | S81 Q85 N158 P160 | S81-L83 PolarHBondContact O-N 3.21Å; L83-Q85 HydrophobicContact CD2-CG 3.82Å; L83-Q85 HydrophobicContact CG-CG 3.75Å; L83-N158 HydrophobicContact CD1-CB 3.88Å; L83-P160 HydrophobicContact CD1-CB 4.4Å |
| 84 | V | 73.3 | Confident | 66.3 | Low | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.8 | 167.4 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | Y82 Y159 I161 D176 L179 H197 | Y82-V84 PolarHBondContact O-N 3.43Å; V84-Y159 PolarHBondContact N-O 2.92Å; V84-Y159 WeakPolarHBondContact O-CD2 3.43Å; V84-Y159 PolarHBondContact O-N 3.39Å; V84-I161 HydrophobicContact CB-CD1 4.42Å; V84-I161 HydrophobicContact CG2-CD1 3.61Å; V84-I161 HydrophobicContact CG2-CG1 4.49Å; V84-D176 WeakPolarHBondContact CG2-OD1 3.13Å; V84-L179 HydrophobicContact CG1-CD2 3.75Å; V84-H197 VanDerWaalsContact CG1-NE2 3.31Å; V84-H197 WeakPolarHBondContact CG1-NE2 3.41Å |
| 85 | Q | 78.5 | Confident | 67.2 | Low | 14 Ų | 14 | 38.8 Ų | 38.8 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.8 | -174.1 | -56.6 | -172.3 | -72.2 | 0 | 0 | 110.9 | L83 L157 N158 F198 F471 | L83-Q85 HydrophobicContact CD2-CG 3.82Å; L83-Q85 HydrophobicContact CG-CG 3.75Å; Q85-L157 CarbonylContact C-O 3.47Å; Q85-L157 VanDerWaalsContact CA-O 3.26Å; Q85-L157 WeakPolarHBondContact CA-O 3.19Å; Q85-N158 VanDerWaalsContact CG-OD1 3.3Å; Q85-N158 WeakPolarHBondContact CG-OD1 3.45Å; Q85-N158 PolarHBondContact NE2-OD1 3.14Å; Q85-F198 PolarHBondContact N-O 2.86Å; Q85-F198 PolarHBondContact O-N 3.39Å; Q85-F198 VanDerWaalsContact O-O 3.06Å; Q85-F471 HydrophobicContact CB-CE2 4.31Å; Q85-F471 HydrophobicContact CB-CZ 4.15Å |
| 86 | V | 78.5 | Confident | 68 | Low | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 113.4 | 171 | -170.7 | 0 | 0 | 0 | 0 | 108.2 | F88 T156 L157 Y159 L183 C195 | V86-F88 HydrophobicContact CB-CE2 3.99Å; V86-F88 HydrophobicContact CB-CZ 4.35Å; V86-F88 HydrophobicContact CG1-CD2 4.39Å; V86-F88 HydrophobicContact CG1-CE1 4.38Å; V86-F88 HydrophobicContact CG1-CE2 3.47Å; V86-F88 VanDerWaalsContact CG1-CE2 3.47Å; V86-F88 HydrophobicContact CG1-CZ 3.44Å; V86-F88 VanDerWaalsContact CG1-CZ 3.44Å; V86-T156 WeakPolarHBondContact O-CA 3.41Å; V86-L157 HydrophobicContact CB-CB 4.41Å; V86-L157 PolarHBondContact N-O 3.29Å; V86-L157 PolarHBondContact O-N 2.89Å; V86-Y159 HydrophobicContact CG2-CD2 4.49Å; V86-Y159 HydrophobicContact CG2-CE2 3.98Å; V86-L183 HydrophobicContact CB-CD1 4.4Å; V86-L183 HydrophobicContact CG1-CD1 3.89Å; V86-L183 HydrophobicContact CG1-CD2 4.33Å; V86-L183 HydrophobicContact CG2-CD1 3.54Å; V86-C195 HydrophobicContact CG1-CB 4.37Å |
| 87 | L | 79.6 | Confident | 68.8 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.7 | -180 | -176.6 | 150 | 0 | 0 | 0 | 109.8 | E89 I154 I155 T156 C195 I196 F471 L474 M475 | L87-E89 HydrophobicContact CD2-CB 3.9Å; L87-I154 HydrophobicContact CD1-CG2 3.74Å; L87-I154 HydrophobicContact CD2-CG2 4.06Å; L87-I154 HydrophobicContact CG-CG2 3.61Å; L87-I155 CarbonylContact C-O 3.59Å; L87-I155 WeakPolarHBondContact CA-O 3.32Å; L87-T156 HydrophobicContact CB-CG2 4.18Å; L87-T156 HydrophobicContact CD1-CG2 3.96Å; L87-T156 HydrophobicContact CG-CG2 4.05Å; L87-C195 CarbonylContact O-C 3.6Å; L87-C195 WeakPolarHBondContact O-CA 3.46Å; L87-I196 HydrophobicContact CD2-CD1 4.37Å; L87-I196 PolarHBondContact N-O 2.96Å; L87-I196 PolarHBondContact O-N 3.25Å; L87-F471 HydrophobicContact CB-CD2 3.77Å; L87-F471 HydrophobicContact CB-CE2 3.74Å; L87-F471 HydrophobicContact CD1-CD2 3.96Å; L87-F471 HydrophobicContact CD1-CE2 4.02Å; L87-F471 HydrophobicContact CG-CD2 4.45Å; L87-L474 HydrophobicContact CD1-CB 4.22Å; L87-L474 HydrophobicContact CD1-CD1 4.13Å; L87-L474 HydrophobicContact CD2-CD1 3.65Å; L87-M475 HydrophobicContact CD1-SD 4.19Å |
| 88 | F | 80.5 | Confident | 69.5 | Low | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.7 | 173.6 | -63.1 | -89.4 | 0 | 0 | 0 | 108.6 | V86 V95 L103 I154 I155 L157 L193 C195 | V86-F88 HydrophobicContact CB-CE2 3.99Å; V86-F88 HydrophobicContact CB-CZ 4.35Å; V86-F88 HydrophobicContact CG1-CD2 4.39Å; V86-F88 HydrophobicContact CG1-CE1 4.38Å; V86-F88 HydrophobicContact CG1-CE2 3.47Å; V86-F88 VanDerWaalsContact CG1-CE2 3.47Å; V86-F88 HydrophobicContact CG1-CZ 3.44Å; V86-F88 VanDerWaalsContact CG1-CZ 3.44Å; F88-V95 HydrophobicContact CB-CG2 4.07Å; F88-L103 HydrophobicContact CD1-CD2 4.24Å; F88-L103 HydrophobicContact CD2-CD1 4.4Å; F88-L103 HydrophobicContact CD2-CD2 3.46Å; F88-L103 VanDerWaalsContact CD2-CD2 3.46Å; F88-L103 HydrophobicContact CE1-CD1 3.79Å; F88-L103 HydrophobicContact CE1-CD2 4.12Å; F88-L103 HydrophobicContact CE1-CG 4.37Å; F88-L103 HydrophobicContact CE2-CD1 3.43Å; F88-L103 VanDerWaalsContact CE2-CD1 3.43Å; F88-L103 HydrophobicContact CE2-CD2 3.33Å; F88-L103 HydrophobicContact CE2-CG 3.97Å; F88-L103 HydrophobicContact CG-CD2 3.95Å; F88-L103 HydrophobicContact CZ-CD1 3.07Å; F88-L103 HydrophobicContact CZ-CD2 3.71Å; F88-L103 HydrophobicContact CZ-CG 3.91Å; F88-I154 WeakPolarHBondContact O-CA 3.46Å; F88-I155 HydrophobicContact CB-CB 4.46Å; F88-I155 PolarHBondContact N-O 3.49Å; F88-I155 PolarHBondContact O-N 2.94Å; F88-I155 VanDerWaalsContact O-N 3.11Å; F88-L157 HydrophobicContact CE2-CD1 4.06Å; F88-L157 HydrophobicContact CE2-CG 4.05Å; F88-L193 HydrophobicContact CD1-CD2 4.28Å; F88-L193 HydrophobicContact CD1-CG 4.39Å; F88-L193 HydrophobicContact CE1-CD2 3.99Å; F88-C195 HydrophobicContact CD1-CB 3.64Å; F88-C195 HydrophobicContact CE1-CB 3.43Å; F88-C195 VanDerWaalsContact CE1-CB 3.43Å; F88-C195 HydrophobicContact CG-CB 4.45Å; F88-C195 HydrophobicContact CZ-CB 4.08Å |
| 89 | E | 78.7 | Confident | 70.1 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144 | 180 | -164.3 | -157.5 | 158.6 | 0 | 0 | 109.5 | L87 N91 M98 I154 P194 R470 L474 | L87-E89 HydrophobicContact CD2-CB 3.9Å; E89-N91 WeakPolarHBondContact OE1-CA 3.41Å; E89-M98 VanDerWaalsContact C-CE 3.41Å; E89-M98 WeakPolarHBondContact O-CE 3.32Å; E89-I154 HydrophobicContact CG-CG1 4.4Å; E89-P194 PolarHBondContact N-O 2.84Å; E89-P194 WeakPolarHBondContact O-CB 3.5Å; E89-P194 WeakPolarHBondContact O-CD 3.44Å; E89-P194 WeakPolarHBondContact O-CG 3.38Å; E89-R470 VanDerWaalsContact CD-NH2 3.33Å; E89-R470 IonicContact OE1-CZ 2.69Å; E89-R470 IonicContact OE1-NE 3.91Å; E89-R470 IonicContact OE1-NH2 3.95Å; E89-R470 PolarHBondContact OE1-NH2 3.14Å; E89-R470 IonicContact OE2-CZ 3.12Å; E89-R470 IonicContact OE2-NE 3.04Å; E89-R470 PolarHBondContact OE2-NE 3.38Å; E89-R470 IonicContact OE2-NH2 3.49Å; E89-R470 PolarHBondContact OE2-NH2 2.96Å; E89-L474 HydrophobicContact CB-CD1 4.46Å; E89-L474 HydrophobicContact CG-CD1 4.28Å; E89-L474 WeakPolarHBondContact OE2-CD1 3.08Å |
| 90 | N | 76.4 | Confident | 70.3 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -111.3 | 43.7 | 172.1 | -159.1 | 5.9 | 0 | 0 | 0 | 112.8 | G92 A93 N94 M98 | N90-G92 PolarHBondContact O-N 3.02Å; N90-G92 VanDerWaalsContact O-N 3.13Å; N90-A93 HydrophobicContact CB-CB 4.1Å; N90-A93 WeakPolarHBondContact CB-O 3.26Å; N90-A93 VanDerWaalsContact O-CB 3.29Å; N90-A93 WeakPolarHBondContact O-CB 3.37Å; N90-A93 PolarHBondContact O-N 2.96Å; N90-N94 PolarHBondContact ND2-O 3.49Å; N90-M98 HydrophobicContact CB-CE 3.39Å; N90-M98 HydrophobicContact CB-CG 4.47Å |
| 91 | N | 73.9 | Confident | 70.4 | Confident | 129 Ų | 129 | 55.5 Ų | 55.5 | 69% | 0.69 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 43.1 | -177.1 | -65.9 | -25.7 | 0 | 0 | 0 | 113.3 | E89 A93 | E89-N91 WeakPolarHBondContact OE1-CA 3.41Å; N91-A93 VanDerWaalsContact C-N 3.34Å; N91-A93 PolarHBondContact O-N 3.22Å |
| 92 | G | 71.6 | Confident | 70.2 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -7.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | N90 | N90-G92 PolarHBondContact O-N 3.02Å; N90-G92 VanDerWaalsContact O-N 3.13Å |
| 93 | A | 75.6 | Confident | 69.8 | Low | 49 Ų | 49 | 53.3 Ų | 53.3 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 169.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | N90 N91 V95 | N90-A93 HydrophobicContact CB-CB 4.1Å; N90-A93 WeakPolarHBondContact CB-O 3.26Å; N90-A93 VanDerWaalsContact O-CB 3.29Å; N90-A93 WeakPolarHBondContact O-CB 3.37Å; N90-A93 PolarHBondContact O-N 2.96Å; N91-A93 VanDerWaalsContact C-N 3.34Å; N91-A93 PolarHBondContact O-N 3.22Å; A93-V95 PolarHBondContact O-N 3.01Å; A93-V95 VanDerWaalsContact O-N 3.13Å |
| 94 | N | 77.3 | Confident | 69 | Low | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | trans | -64.3 | 115 | 178 | -172.6 | -0.3 | 0 | 0 | 0 | 110.8 | N90 L96 R97 G150 E151 A152 | N90-N94 PolarHBondContact ND2-O 3.49Å; N94-L96 PolarHBondContact O-N 3.09Å; N94-L96 VanDerWaalsContact OD1-CB 3.28Å; N94-L96 WeakPolarHBondContact OD1-CB 3.32Å; N94-L96 PolarHBondContact OD1-N 3.22Å; N94-R97 HydrophobicContact CB-CG 4.24Å; N94-R97 PolarHBondContact O-N 3.43Å; N94-G150 PolarHBondContact ND2-O 2.74Å; N94-E151 HydrophobicContact CB-CB 4.11Å; N94-E151 HydrophobicContact CB-CG 4.19Å; N94-E151 WeakPolarHBondContact ND2-CA 3.5Å; N94-E151 WeakPolarHBondContact ND2-CG 3.2Å; N94-A152 CarbonylContact C-O 3.59Å; N94-A152 WeakPolarHBondContact CA-O 3.2Å; N94-A152 PolarHBondContact OD1-N 2.84Å; N94-A152 VanDerWaalsContact OD1-N 3.14Å; N94-A152 PolarHBondContact OD1-O 2.91Å | ||
| 95 | V | 76.3 | Confident | 67.9 | Low | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -65.7 | -28.6 | 178.7 | 79.6 | 0 | 0 | 0 | 0 | 111.2 | F88 A93 R97 M98 A152 I155 | F88-V95 HydrophobicContact CB-CG2 4.07Å; A93-V95 PolarHBondContact O-N 3.01Å; A93-V95 VanDerWaalsContact O-N 3.13Å; V95-R97 PolarHBondContact O-N 3.24Å; V95-M98 HydrophobicContact CB-CE 4.45Å; V95-M98 HydrophobicContact CG2-CE 3.57Å; V95-M98 PolarHBondContact O-N 2.9Å; V95-A152 HydrophobicContact CG1-CB 4.06Å; V95-A152 VanDerWaalsContact CG1-O 3.25Å; V95-A152 WeakPolarHBondContact CG1-O 3.39Å; V95-A152 PolarHBondContact N-O 3.43Å; V95-I155 HydrophobicContact CG1-CD1 3.55Å; V95-I155 HydrophobicContact CG1-CG1 3.67Å |
| 96 | L | 71.4 | Confident | 66.7 | Low | 96 Ų | 96 | 62.3 Ų | 62.3 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -69.9 | -16.4 | 179.9 | -57.9 | 172.8 | 0 | 0 | 0 | 112.9 | N94 A152 I155 | N94-L96 PolarHBondContact O-N 3.09Å; N94-L96 VanDerWaalsContact OD1-CB 3.28Å; N94-L96 WeakPolarHBondContact OD1-CB 3.32Å; N94-L96 PolarHBondContact OD1-N 3.22Å; L96-A152 HydrophobicContact CD1-CB 4.09Å; L96-A152 HydrophobicContact CG-CB 4.15Å; L96-I155 HydrophobicContact CD2-CD1 3.94Å |
| 97 | R | 67.8 | Low | 65.4 | Low | 176 Ų | 176 | 65.5 Ų | 65.5 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -92.2 | -1.4 | 177.7 | -68 | -172.6 | -175.4 | 166.4 | 11.8 | 113.9 | N94 V95 R99 E151 | N94-R97 HydrophobicContact CB-CG 4.24Å; N94-R97 PolarHBondContact O-N 3.43Å; V95-R97 PolarHBondContact O-N 3.24Å; R97-R99 PolarHBondContact O-N 3.37Å; R97-R99 VanDerWaalsContact O-N 3.14Å; R97-E151 IonicContact CZ-OE1 3.35Å; R97-E151 IonicContact NH2-OE1 3.47Å; R97-E151 PolarHBondContact NH2-OE1 3.33Å |
| 98 | M | 63.2 | Low | 63.8 | Low | 17 Ų | 17 | 71.3 Ų | 71.3 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | trans | -61.2 | 119 | 177.4 | -74.8 | -167.8 | -154.4 | 0 | 0 | 110.3 | E89 N90 V95 T100 L193 | E89-M98 VanDerWaalsContact C-CE 3.41Å; E89-M98 WeakPolarHBondContact O-CE 3.32Å; N90-M98 HydrophobicContact CB-CE 3.39Å; N90-M98 HydrophobicContact CB-CG 4.47Å; V95-M98 HydrophobicContact CB-CE 4.45Å; V95-M98 HydrophobicContact CG2-CE 3.57Å; V95-M98 PolarHBondContact O-N 2.9Å; M98-T100 PolarHBondContact O-N 3.44Å; M98-L193 HydrophobicContact SD-CD1 3.57Å; M98-L193 VanDerWaalsContact SD-CD1 3.57Å; M98-L193 HydrophobicContact SD-CG 4.32Å | ||
| 99 | R | 57.6 | Low | 62.1 | Low | 248 Ų | 248 | 73.1 Ų | 73.1 | 94% | 0.936 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -63.2 | -24.6 | 177 | -74.1 | -176.2 | 175.9 | 179.8 | -1.1 | 112.5 | R97 L101 | R97-R99 PolarHBondContact O-N 3.37Å; R97-R99 VanDerWaalsContact O-N 3.14Å; R99-L101 PolarHBondContact O-N 3.25Å |
| 100 | T | 54.9 | Low | 60.4 | Low | 37 Ų | 37 | 77 Ų | 77 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | trans | -84.9 | 88.1 | 176.4 | 36.6 | 0 | 0 | 0 | 0 | 109.2 | M98 P102 D190 L193 | M98-T100 PolarHBondContact O-N 3.44Å; T100-P102 WeakPolarHBondContact O-CD 3.13Å; T100-D190 HydrophobicContact CG2-CB 4.16Å; T100-D190 WeakPolarHBondContact CG2-OD2 3.45Å; T100-L193 WeakPolarHBondContact O-CD1 3.35Å; T100-L193 WeakPolarHBondContact OG1-CD1 3.38Å | ||
| 101 | L | 52.5 | Low | 58.7 | Low | 76 Ų | 76 | 79.5 Ų | 79.5 | 40% | 0.398 | 41% | 0.411 | S | S | . | . | trans | -89 | 33.2 | 171.9 | -132.5 | 70.4 | 0 | 0 | 0 | 114.8 | R99 L103 L104 L105 | R99-L101 PolarHBondContact O-N 3.25Å; L101-L103 PolarHBondContact O-N 3.27Å; L101-L104 HydrophobicContact CB-CB 4.49Å; L101-L104 HydrophobicContact CD1-CB 4.45Å; L101-L104 HydrophobicContact CD1-CD1 3.25Å; L101-L104 HydrophobicContact CD1-CG 4.33Å; L101-L104 HydrophobicContact CD2-CB 3.41Å; L101-L104 VanDerWaalsContact CD2-CB 3.41Å; L101-L104 HydrophobicContact CD2-CD1 3.57Å; L101-L104 HydrophobicContact CD2-CD2 3.97Å; L101-L104 HydrophobicContact CD2-CG 3.79Å; L101-L104 HydrophobicContact CG-CB 3.46Å; L101-L104 VanDerWaalsContact CG-CB 3.46Å; L101-L104 HydrophobicContact CG-CD1 3.28Å; L101-L104 HydrophobicContact CG-CG 3.84Å; L101-L104 PolarHBondContact O-N 3.38Å; L101-L104 VanDerWaalsContact O-N 3.08Å; L101-L105 PolarHBondContact O-N 3.19Å | ||
| 102 | P | 53.1 | Low | 57 | Low | 47 Ų | 47 | 79.7 Ų | 79.7 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -51.7 | -24.6 | 169.1 | -25.8 | 34.1 | 0 | 0 | 0 | 112.1 | T100 L105 L106 | T100-P102 WeakPolarHBondContact O-CD 3.13Å; P102-L105 CarbonylContact O-C 3.56Å; P102-L105 PolarHBondContact O-N 3.43Å; P102-L106 VanDerWaalsContact O-CB 3.31Å; P102-L106 WeakPolarHBondContact O-CB 3.38Å; P102-L106 PolarHBondContact O-N 2.86Å |
| 103 | L | 53.4 | Low | 55.6 | Low | 29 Ų | 29 | 86.3 Ų | 86.3 | 15% | 0.152 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75 | -41.9 | 174.8 | -152 | 70.8 | 0 | 0 | 0 | 115 | F88 L101 L106 L107 L157 | F88-L103 HydrophobicContact CD1-CD2 4.24Å; F88-L103 HydrophobicContact CD2-CD1 4.4Å; F88-L103 HydrophobicContact CD2-CD2 3.46Å; F88-L103 VanDerWaalsContact CD2-CD2 3.46Å; F88-L103 HydrophobicContact CE1-CD1 3.79Å; F88-L103 HydrophobicContact CE1-CD2 4.12Å; F88-L103 HydrophobicContact CE1-CG 4.37Å; F88-L103 HydrophobicContact CE2-CD1 3.43Å; F88-L103 VanDerWaalsContact CE2-CD1 3.43Å; F88-L103 HydrophobicContact CE2-CD2 3.33Å; F88-L103 HydrophobicContact CE2-CG 3.97Å; F88-L103 HydrophobicContact CG-CD2 3.95Å; F88-L103 HydrophobicContact CZ-CD1 3.07Å; F88-L103 HydrophobicContact CZ-CD2 3.71Å; F88-L103 HydrophobicContact CZ-CG 3.91Å; L101-L103 PolarHBondContact O-N 3.27Å; L103-L106 PolarHBondContact O-N 3.16Å; L103-L107 WeakPolarHBondContact O-CB 3.36Å; L103-L107 PolarHBondContact O-N 3.41Å; L103-L157 HydrophobicContact CD1-CD1 3.41Å; L103-L157 VanDerWaalsContact CD1-CD1 3.41Å; L103-L157 HydrophobicContact CD1-CG 4.47Å; L103-L157 HydrophobicContact CD2-CD1 3.86Å; L103-L157 HydrophobicContact CD2-CD2 4.42Å; L103-L157 HydrophobicContact CD2-CG 4.14Å; L103-L157 HydrophobicContact CG-CD1 3.81Å |
| 104 | L | 54.9 | Low | 53.7 | Low | 97 Ų | 97 | 88.5 Ų | 88.5 | 51% | 0.508 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -73.7 | -18.6 | 166.9 | -77 | 91.1 | 0 | 0 | 0 | 111.7 | L101 K108 | L101-L104 HydrophobicContact CB-CB 4.49Å; L101-L104 HydrophobicContact CD1-CB 4.45Å; L101-L104 HydrophobicContact CD1-CD1 3.25Å; L101-L104 HydrophobicContact CD1-CG 4.33Å; L101-L104 HydrophobicContact CD2-CB 3.41Å; L101-L104 VanDerWaalsContact CD2-CB 3.41Å; L101-L104 HydrophobicContact CD2-CD1 3.57Å; L101-L104 HydrophobicContact CD2-CD2 3.97Å; L101-L104 HydrophobicContact CD2-CG 3.79Å; L101-L104 HydrophobicContact CG-CB 3.46Å; L101-L104 VanDerWaalsContact CG-CB 3.46Å; L101-L104 HydrophobicContact CG-CD1 3.28Å; L101-L104 HydrophobicContact CG-CG 3.84Å; L101-L104 PolarHBondContact O-N 3.38Å; L101-L104 VanDerWaalsContact O-N 3.08Å; L104-K108 WeakPolarHBondContact O-CA 3.25Å; L104-K108 WeakPolarHBondContact O-CB 3.3Å; L104-K108 WeakPolarHBondContact O-CG 3.41Å; L104-K108 PolarHBondContact O-N 2.83Å |
| 105 | L | 51.5 | Low | 51.7 | Low | 115 Ų | 115 | 90.7 Ų | 90.7 | 60% | 0.602 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -72.8 | -34.9 | 168.4 | -80.4 | 163.1 | 0 | 0 | 0 | 111.4 | L101 P102 S109 | L101-L105 PolarHBondContact O-N 3.19Å; P102-L105 CarbonylContact O-C 3.56Å; P102-L105 PolarHBondContact O-N 3.43Å; L105-S109 VanDerWaalsContact O-CB 3.22Å; L105-S109 WeakPolarHBondContact O-CB 3.39Å; L105-S109 PolarHBondContact O-N 3.31Å; L105-S109 PolarHBondContact O-OG 3.1Å |
| 106 | L | 52.2 | Low | 49.5 | Very low | 64 Ų | 64 | 94.6 Ų | 94.6 | 34% | 0.335 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.3 | -43.8 | 173.2 | -162.1 | 83.3 | 0 | 0 | 0 | 111 | P102 L103 K108 S109 V110 | P102-L106 VanDerWaalsContact O-CB 3.31Å; P102-L106 WeakPolarHBondContact O-CB 3.38Å; P102-L106 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 3.16Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-S109 WeakPolarHBondContact CA-OG 3.47Å; L106-S109 PolarHBondContact O-N 3.34Å; L106-S109 PolarHBondContact O-OG 2.77Å; L106-V110 WeakPolarHBondContact O-CB 3.37Å; L106-V110 WeakPolarHBondContact O-CG2 3.41Å; L106-V110 PolarHBondContact O-N 2.82Å |
| 107 | L | 52 | Low | 47.9 | Very low | 70 Ų | 70 | 92.9 Ų | 92.9 | 37% | 0.366 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 170.5 | -119 | 98.8 | 0 | 0 | 0 | 110.1 | L103 L111 L157 | L103-L107 WeakPolarHBondContact O-CB 3.36Å; L103-L107 PolarHBondContact O-N 3.41Å; L107-L111 HydrophobicContact CD2-CD1 4.21Å; L107-L111 WeakPolarHBondContact O-CB 3.29Å; L107-L111 VanDerWaalsContact O-CD1 3.31Å; L107-L111 WeakPolarHBondContact O-CD1 3.45Å; L107-L111 WeakPolarHBondContact O-CG 3.36Å; L107-L111 PolarHBondContact O-N 2.89Å; L107-L157 HydrophobicContact CD1-CD1 4.45Å; L107-L157 HydrophobicContact CD1-CD2 4.14Å |
| 108 | K | 46.3 | Very low | 46.8 | Very low | 122 Ų | 122 | 91.4 Ų | 91.4 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 172.5 | -101 | -178.1 | 160.1 | 177.9 | 0 | 111.1 | L104 L106 L111 Q112 | L104-K108 WeakPolarHBondContact O-CA 3.25Å; L104-K108 WeakPolarHBondContact O-CB 3.3Å; L104-K108 WeakPolarHBondContact O-CG 3.41Å; L104-K108 PolarHBondContact O-N 2.83Å; L106-K108 VanDerWaalsContact C-N 3.35Å; K108-L111 CarbonylContact O-C 3.49Å; K108-L111 PolarHBondContact O-N 3.14Å; K108-Q112 WeakPolarHBondContact O-CA 3.43Å; K108-Q112 WeakPolarHBondContact O-CB 3.27Å; K108-Q112 WeakPolarHBondContact O-CG 3.31Å; K108-Q112 PolarHBondContact O-N 3.33Å |
| 109 | S | 43 | Very low | 46.1 | Very low | 47 Ų | 47 | 94.2 Ų | 94.2 | 33% | 0.329 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.5 | -36.4 | -176 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | L105 L106 Q112 Q113 | L105-S109 VanDerWaalsContact O-CB 3.22Å; L105-S109 WeakPolarHBondContact O-CB 3.39Å; L105-S109 PolarHBondContact O-N 3.31Å; L105-S109 PolarHBondContact O-OG 3.1Å; L106-S109 WeakPolarHBondContact CA-OG 3.47Å; L106-S109 PolarHBondContact O-N 3.34Å; L106-S109 PolarHBondContact O-OG 2.77Å; S109-Q112 PolarHBondContact O-N 2.97Å; S109-Q113 WeakPolarHBondContact O-CB 3.41Å; S109-Q113 PolarHBondContact O-N 3.04Å |
| 110 | V | 43.7 | Very low | 45.9 | Very low | 92 Ų | 92 | 87.7 Ų | 87.7 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.7 | -41.6 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | L106 Q112 | L106-V110 WeakPolarHBondContact O-CB 3.37Å; L106-V110 WeakPolarHBondContact O-CG2 3.41Å; L106-V110 PolarHBondContact O-N 2.82Å; V110-Q112 VanDerWaalsContact C-N 3.35Å |
| 111 | L | 40.6 | Very low | 46.2 | Very low | 95 Ų | 95 | 89.9 Ų | 89.9 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.3 | -30.9 | 173.1 | -71.5 | 165.2 | 0 | 0 | 0 | 112.7 | L107 K108 | L107-L111 HydrophobicContact CD2-CD1 4.21Å; L107-L111 WeakPolarHBondContact O-CB 3.29Å; L107-L111 VanDerWaalsContact O-CD1 3.31Å; L107-L111 WeakPolarHBondContact O-CD1 3.45Å; L107-L111 WeakPolarHBondContact O-CG 3.36Å; L107-L111 PolarHBondContact O-N 2.89Å; K108-L111 CarbonylContact O-C 3.49Å; K108-L111 PolarHBondContact O-N 3.14Å |
| 112 | Q | 38.5 | Very low | 46.7 | Very low | 134 Ų | 134 | 89.1 Ų | 89.1 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -83.7 | -25.2 | 179 | -78.2 | 177.7 | -45.4 | 0 | 0 | 112.8 | K108 S109 V110 | K108-Q112 WeakPolarHBondContact O-CA 3.43Å; K108-Q112 WeakPolarHBondContact O-CB 3.27Å; K108-Q112 WeakPolarHBondContact O-CG 3.31Å; K108-Q112 PolarHBondContact O-N 3.33Å; S109-Q112 PolarHBondContact O-N 2.97Å; V110-Q112 VanDerWaalsContact C-N 3.35Å |
| 113 | Q | 41.3 | Very low | 47.3 | Very low | 177 Ų | 177 | 94.1 Ų | 94.1 | 83% | 0.827 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.8 | -17.9 | 175 | -96.9 | -177.7 | -20.3 | 0 | 0 | 113.5 | S109 | S109-Q113 WeakPolarHBondContact O-CB 3.41Å; S109-Q113 PolarHBondContact O-N 3.04Å |
| 114 | S | 36.4 | Very low | 47.8 | Very low | 95 Ų | 95 | 99 Ų | 99 | 66% | 0.664 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -102 | -10.9 | -178.9 | 96.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 115 | S | 34.5 | Very low | 48.6 | Very low | 60 Ų | 60 | 101.9 Ų | 101.9 | 42% | 0.42 | 56% | 0.558 | S | S | . | * | trans | -174.1 | 133.9 | 167.2 | 45.9 | 0 | 0 | 0 | 0 | 111.6 | A117 | S115-A117 PolarHBondContact O-N 2.97Š| ||
| 116 | G | 30.6 | Very low | 49.4 | Very low | 93 Ų | 93 | 100.3 Ų | 100.3 | 96% | 0.959 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -70.7 | 47.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 117 | A | 39.2 | Very low | 50.4 | Low | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -148.7 | 125.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S115 N119 | S115-A117 PolarHBondContact O-N 2.97Å; A117-N119 PolarHBondContact O-N 3.29Å |
| 118 | T | 43.8 | Very low | 51.5 | Low | 144 Ų | 144 | 96.4 Ų | 96.4 | 88% | 0.883 | 53% | 0.526 | S | S | * | . | trans | -54.9 | 89.4 | 151.3 | 44.2 | 0 | 0 | 0 | 0 | 107.1 | P120 | T118-P120 WeakPolarHBondContact O-CD 3.3Å; T118-P120 VanDerWaalsContact O-N 3.09Å | ||
| 119 | N | 49.2 | Very low | 52.8 | Low | 77 Ų | 77 | 92.6 Ų | 92.6 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | trans | -65.6 | 111 | -174.7 | -161.5 | -12.7 | 0 | 0 | 0 | 107.4 | A117 N121 | A117-N119 PolarHBondContact O-N 3.29Å; N119-N121 PolarHBondContact O-N 3.1Å; N119-N121 PolarHBondContact OD1-ND2 3Å | ||
| 120 | P | 52.4 | Low | 54.1 | Low | 110 Ų | 110 | 92.6 Ų | 92.6 | 71% | 0.714 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 0.1 | -175.4 | 27.6 | -34 | 0 | 0 | 0 | 113.2 | T118 | T118-P120 WeakPolarHBondContact O-CD 3.3Å; T118-P120 VanDerWaalsContact O-N 3.09Å |
| 121 | N | 60.9 | Low | 55.3 | Low | 84 Ų | 84 | 89.8 Ų | 89.8 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 4.5 | -171 | -61.9 | -23.8 | 0 | 0 | 0 | 114.5 | N119 L132 | N119-N121 PolarHBondContact O-N 3.1Å; N119-N121 PolarHBondContact OD1-ND2 3Å; N121-L132 HydrophobicContact CB-CD2 4.28Å |
| 122 | I | 63.1 | Low | 56.5 | Low | 60 Ų | 60 | 89.9 Ų | 89.9 | 31% | 0.308 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.8 | 172 | -54.4 | 177.5 | 0 | 0 | 0 | 109.2 | F124 M129 E130 | I122-F124 HydrophobicContact CG2-CD2 4.13Å; I122-F124 HydrophobicContact CG2-CE2 3.61Å; I122-F124 HydrophobicContact CG2-CZ 4.06Å; I122-M129 HydrophobicContact CG2-CG 3.88Å; I122-M129 HydrophobicContact CG2-SD 4.07Å; I122-E130 CarbonylContact C-O 3.32Å; I122-E130 VanDerWaalsContact CA-O 3.3Å; I122-E130 WeakPolarHBondContact CA-O 3.26Å |
| 123 | R | 65.3 | Low | 57.7 | Low | 151 Ų | 151 | 89.7 Ų | 89.7 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.1 | 175.6 | -67.2 | 179.3 | -179.9 | 175.7 | 1.6 | 110 | E130 | R123-E130 HydrophobicContact CB-CB 4.26Å; R123-E130 PolarHBondContact N-O 3.07Å; R123-E130 PolarHBondContact O-N 2.91Å |
| 124 | F | 65.5 | Low | 58.8 | Low | 133 Ų | 133 | 82.4 Ų | 82.4 | 58% | 0.583 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117.9 | 170.6 | -71 | -87.9 | 0 | 0 | 0 | 109.7 | I122 M129 I138 | I122-F124 HydrophobicContact CG2-CD2 4.13Å; I122-F124 HydrophobicContact CG2-CE2 3.61Å; I122-F124 HydrophobicContact CG2-CZ 4.06Å; F124-M129 HydrophobicContact CD1-CB 4.1Å; F124-M129 HydrophobicContact CD1-CG 3.88Å; F124-M129 HydrophobicContact CD1-SD 4.11Å; F124-M129 HydrophobicContact CE1-CB 4.13Å; F124-M129 HydrophobicContact CE1-CG 3.63Å; F124-M129 HydrophobicContact CE1-SD 3.24Å; F124-M129 WeakPolarHBondContact CE1-SD 3.33Å; F124-M129 HydrophobicContact CE2-SD 4.33Å; F124-M129 HydrophobicContact CG-CG 4.48Å; F124-M129 HydrophobicContact CZ-CG 4.01Å; F124-M129 HydrophobicContact CZ-SD 3.37Å; F124-M129 WeakPolarHBondContact CZ-SD 3.46Å; F124-I138 HydrophobicContact CD1-CD1 4.2Å |
| 125 | R | 69.9 | Low | 60.4 | Low | 157 Ų | 157 | 83.3 Ų | 83.3 | 59% | 0.592 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 91.7 | 175 | -75.8 | -175.8 | 173 | -172.5 | -2.8 | 108.6 | F128 | R125-F128 CarbonylContact C-O 3.49Å; R125-F128 PolarHBondContact N-O 3.37Å; R125-F128 CarbonylContact O-C 3.46Å; R125-F128 WeakPolarHBondContact O-CA 3.49Å; R125-F128 PolarHBondContact O-N 3.41Å |
| 126 | Y | 69.4 | Low | 62.1 | Low | 82 Ų | 82 | 83.1 Ų | 83.1 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 134.4 | -178.4 | -175.6 | -91.2 | 0 | 0 | 0 | 111.2 | I142 V145 D147 | Y126-I142 HydrophobicContact CD2-CB 4.48Å; Y126-I142 HydrophobicContact CE2-CB 4.18Å; Y126-V145 HydrophobicContact CD1-CB 4.3Å; Y126-V145 HydrophobicContact CD1-CG1 4.05Å; Y126-V145 HydrophobicContact CD2-CB 4.48Å; Y126-V145 HydrophobicContact CD2-CG1 4.38Å; Y126-V145 HydrophobicContact CD2-CG2 4Å; Y126-V145 HydrophobicContact CE1-CB 3.77Å; Y126-V145 HydrophobicContact CE1-CG1 4.02Å; Y126-V145 HydrophobicContact CE1-CG2 4.14Å; Y126-V145 HydrophobicContact CE2-CB 4Å; Y126-V145 HydrophobicContact CE2-CG1 4.39Å; Y126-V145 HydrophobicContact CE2-CG2 3.41Å; Y126-V145 VanDerWaalsContact CE2-CG2 3.41Å; Y126-V145 HydrophobicContact CG-CG1 4.21Å; Y126-V145 VanDerWaalsContact CZ-CG2 3.47Å; Y126-D147 WeakPolarHBondContact CD1-OD1 3.43Å |
| 127 | P | 72.4 | Confident | 64.1 | Low | 36 Ų | 36 | 79.9 Ų | 79.9 | 23% | 0.234 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -89.6 | 19.8 | 6.1 | 37.8 | -38 | 0 | 0 | 0 | 115 | F137 I138 G139 | P127-F137 HydrophobicContact CB-CD2 3.91Å; P127-F137 HydrophobicContact CB-CE2 3.48Å; P127-F137 VanDerWaalsContact CB-CE2 3.48Å; P127-F137 HydrophobicContact CB-CZ 4.23Å; P127-F137 HydrophobicContact CG-CD2 4.05Å; P127-F137 HydrophobicContact CG-CE2 3.67Å; P127-F137 CarbonylContact O-C 3.5Å; P127-F137 WeakPolarHBondContact O-CD2 3.42Å; P127-I138 VanDerWaalsContact O-CG1 3.27Å; P127-I138 WeakPolarHBondContact O-CG1 3.48Å; P127-I138 PolarHBondContact O-N 3.46Å; P127-G139 PolarHBondContact O-N 3.36Å |
| 128 | F | 75.9 | Confident | 65.8 | Low | 16 Ų | 16 | 77.9 Ų | 77.9 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 152.6 | -176.3 | -56.5 | -82.6 | 0 | 0 | 0 | 113.7 | R125 R135 L136 F137 S521 T522 | R125-F128 CarbonylContact C-O 3.49Å; R125-F128 PolarHBondContact N-O 3.37Å; R125-F128 CarbonylContact O-C 3.46Å; R125-F128 WeakPolarHBondContact O-CA 3.49Å; R125-F128 PolarHBondContact O-N 3.41Å; F128-R135 HydrophobicContact CB-CG 3.98Å; F128-R135 HydrophobicContact CD1-CG 3.67Å; F128-R135 HydrophobicContact CE1-CG 4.39Å; F128-R135 HydrophobicContact CG-CG 3.98Å; F128-R135 VanDerWaalsContact CG-NE 3.31Å; F128-L136 CarbonylContact C-O 3.46Å; F128-L136 VanDerWaalsContact CA-O 3.23Å; F128-L136 WeakPolarHBondContact CA-O 3.48Å; F128-F137 HydrophobicContact CD1-CB 4.22Å; F128-F137 HydrophobicContact CD1-CD2 4.18Å; F128-F137 HydrophobicContact CE1-CB 4.23Å; F128-F137 AromaticContact CE1-CD2 3.83Å; F128-F137 HydrophobicContact CE1-CD2 3.83Å; F128-F137 HydrophobicContact CZ-CD2 4.21Å; F128-S521 VanDerWaalsContact CE1-O 3.28Å; F128-S521 WeakPolarHBondContact CE1-O 3.27Å; F128-T522 HydrophobicContact CE1-CG2 4.07Å; F128-T522 HydrophobicContact CZ-CG2 3.82Å |
| 129 | M | 74.1 | Confident | 67.2 | Low | 42 Ų | 42 | 71 Ų | 71 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.6 | 162 | 179.4 | 179.9 | 64.8 | 0 | 0 | 107.2 | I122 F124 L136 I138 | I122-M129 HydrophobicContact CG2-CG 3.88Å; I122-M129 HydrophobicContact CG2-SD 4.07Å; F124-M129 HydrophobicContact CD1-CB 4.1Å; F124-M129 HydrophobicContact CD1-CG 3.88Å; F124-M129 HydrophobicContact CD1-SD 4.11Å; F124-M129 HydrophobicContact CE1-CB 4.13Å; F124-M129 HydrophobicContact CE1-CG 3.63Å; F124-M129 HydrophobicContact CE1-SD 3.24Å; F124-M129 WeakPolarHBondContact CE1-SD 3.33Å; F124-M129 HydrophobicContact CE2-SD 4.33Å; F124-M129 HydrophobicContact CG-CG 4.48Å; F124-M129 HydrophobicContact CZ-CG 4.01Å; F124-M129 HydrophobicContact CZ-SD 3.37Å; F124-M129 WeakPolarHBondContact CZ-SD 3.46Å; M129-L136 HydrophobicContact CE-CB 4.34Å; M129-L136 HydrophobicContact CE-CD1 3.63Å; M129-L136 PolarHBondContact N-O 3.45Å; M129-L136 PolarHBondContact O-N 2.92Å; M129-I138 HydrophobicContact CB-CD1 4.46Å; M129-I138 HydrophobicContact CB-CG2 3.76Å |
| 130 | E | 70.2 | Confident | 68.3 | Low | 47 Ų | 47 | 69.6 Ų | 69.6 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.5 | 176.4 | -66.6 | 169.6 | -177.8 | 0 | 0 | 108.3 | I122 R123 L134 R135 | I122-E130 CarbonylContact C-O 3.32Å; I122-E130 VanDerWaalsContact CA-O 3.3Å; I122-E130 WeakPolarHBondContact CA-O 3.26Å; R123-E130 HydrophobicContact CB-CB 4.26Å; R123-E130 PolarHBondContact N-O 3.07Å; R123-E130 PolarHBondContact O-N 2.91Å; E130-L134 CarbonylContact C-O 3.51Å; E130-L134 WeakPolarHBondContact CA-O 3.26Å; E130-R135 HydrophobicContact CG-CG 4.16Å |
| 131 | S | 67.4 | Low | 69.5 | Low | 33 Ų | 33 | 65.9 Ų | 65.9 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 109.3 | 173 | 173.1 | 0 | 0 | 0 | 0 | 108.4 | D133 L134 | S131-D133 PolarHBondContact O-N 2.66Å; S131-L134 PolarHBondContact N-O 2.96Å; S131-L134 VanDerWaalsContact O-CB 3.26Å; S131-L134 WeakPolarHBondContact O-CB 3.44Å; S131-L134 PolarHBondContact O-N 3.31Å |
| 132 | L | 67.1 | Low | 70.4 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | -130.8 | -169.2 | -53.8 | 168.7 | 0 | 0 | 0 | 110.3 | N121 L134 Q556 | N121-L132 HydrophobicContact CB-CD2 4.28Å; L132-L134 VanDerWaalsContact C-N 3.27Å; L132-Q556 HydrophobicContact CD1-CB 3.93Å |
| 133 | D | 63.6 | Low | 71 | Confident | 131 Ų | 131 | 61.2 Ų | 61.2 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1.6 | 174.3 | -69.4 | -32 | 0 | 0 | 0 | 113.2 | S131 | S131-D133 PolarHBondContact O-N 2.66Š|
| 134 | L | 64.1 | Low | 71.5 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 123.5 | -179.9 | -173.8 | 68.5 | 0 | 0 | 0 | 110.6 | E130 S131 L132 L136 | E130-L134 CarbonylContact C-O 3.51Å; E130-L134 WeakPolarHBondContact CA-O 3.26Å; S131-L134 PolarHBondContact N-O 2.96Å; S131-L134 VanDerWaalsContact O-CB 3.26Å; S131-L134 WeakPolarHBondContact O-CB 3.44Å; S131-L134 PolarHBondContact O-N 3.31Å; L132-L134 VanDerWaalsContact C-N 3.27Å; L134-L136 HydrophobicContact CD1-CD2 4.16Å; L134-L136 HydrophobicContact CD2-CD1 3.61Å; L134-L136 HydrophobicContact CD2-CD2 3.78Å; L134-L136 HydrophobicContact CD2-CG 3.53Å; L134-L136 HydrophobicContact CG-CD1 4.42Å; L134-L136 HydrophobicContact CG-CD2 3.98Å; L134-L136 HydrophobicContact CG-CG 3.81Å |
| 135 | R | 69.9 | Low | 72 | Confident | 114 Ų | 114 | 52.3 Ų | 52.3 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 100.7 | 172.3 | -170.4 | 176.6 | -175.9 | 172.8 | 1.5 | 109.4 | F128 E130 | F128-R135 HydrophobicContact CB-CG 3.98Å; F128-R135 HydrophobicContact CD1-CG 3.67Å; F128-R135 HydrophobicContact CE1-CG 4.39Å; F128-R135 HydrophobicContact CG-CG 3.98Å; F128-R135 VanDerWaalsContact CG-NE 3.31Å; E130-R135 HydrophobicContact CG-CG 4.16Å |
| 136 | L | 69.8 | Low | 72.2 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 29% | 0.293 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.7 | 178 | -67.6 | 174.6 | 0 | 0 | 0 | 110.1 | F128 M129 L134 | F128-L136 CarbonylContact C-O 3.46Å; F128-L136 VanDerWaalsContact CA-O 3.23Å; F128-L136 WeakPolarHBondContact CA-O 3.48Å; M129-L136 HydrophobicContact CE-CB 4.34Å; M129-L136 HydrophobicContact CE-CD1 3.63Å; M129-L136 PolarHBondContact N-O 3.45Å; M129-L136 PolarHBondContact O-N 2.92Å; L134-L136 HydrophobicContact CD1-CD2 4.16Å; L134-L136 HydrophobicContact CD2-CD1 3.61Å; L134-L136 HydrophobicContact CD2-CD2 3.78Å; L134-L136 HydrophobicContact CD2-CG 3.53Å; L134-L136 HydrophobicContact CG-CD1 4.42Å; L134-L136 HydrophobicContact CG-CD2 3.98Å; L134-L136 HydrophobicContact CG-CG 3.81Å |
| 137 | F | 73.7 | Confident | 72.2 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 122.1 | 171.8 | -179.2 | -99.9 | 0 | 0 | 0 | 109.8 | P127 F128 G139 Y140 T522 N587 | P127-F137 HydrophobicContact CB-CD2 3.91Å; P127-F137 HydrophobicContact CB-CE2 3.48Å; P127-F137 VanDerWaalsContact CB-CE2 3.48Å; P127-F137 HydrophobicContact CB-CZ 4.23Å; P127-F137 HydrophobicContact CG-CD2 4.05Å; P127-F137 HydrophobicContact CG-CE2 3.67Å; P127-F137 CarbonylContact O-C 3.5Å; P127-F137 WeakPolarHBondContact O-CD2 3.42Å; F128-F137 HydrophobicContact CD1-CB 4.22Å; F128-F137 HydrophobicContact CD1-CD2 4.18Å; F128-F137 HydrophobicContact CE1-CB 4.23Å; F128-F137 AromaticContact CE1-CD2 3.83Å; F128-F137 HydrophobicContact CE1-CD2 3.83Å; F128-F137 HydrophobicContact CZ-CD2 4.21Å; F137-G139 VanDerWaalsContact CE1-CA 3.47Å; F137-Y140 AromaticContact CD1-CD1 3.89Å; F137-Y140 HydrophobicContact CD1-CD1 3.89Å; F137-Y140 HydrophobicContact CD1-CE1 4.48Å; F137-Y140 HydrophobicContact CE1-CD1 4.32Å; F137-Y140 VanDerWaalsContact O-CE1 3.25Å; F137-Y140 WeakPolarHBondContact O-CE1 2.99Å; F137-T522 HydrophobicContact CD2-CG2 4.32Å; F137-N587 WeakPolarHBondContact CB-ND2 3.47Å; F137-N587 VanDerWaalsContact CD1-CG 3.41Å; F137-N587 WeakPolarHBondContact CD1-ND2 3.29Å; F137-N587 VanDerWaalsContact CD1-OD1 3.29Å; F137-N587 WeakPolarHBondContact CD1-OD1 3.45Å; F137-N587 WeakPolarHBondContact CD2-ND2 3.31Å; F137-N587 HydrophobicContact CE1-CB 4.4Å; F137-N587 WeakPolarHBondContact CG-ND2 3.46Å |
| 138 | I | 74.9 | Confident | 72.1 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | trans | -106.6 | 6.6 | 179.6 | 59.9 | 170.6 | 0 | 0 | 0 | 112 | F124 P127 M129 Y140 N141 I142 | F124-I138 HydrophobicContact CD1-CD1 4.2Å; P127-I138 VanDerWaalsContact O-CG1 3.27Å; P127-I138 WeakPolarHBondContact O-CG1 3.48Å; P127-I138 PolarHBondContact O-N 3.46Å; M129-I138 HydrophobicContact CB-CD1 4.46Å; M129-I138 HydrophobicContact CB-CG2 3.76Å; I138-Y140 PolarHBondContact O-N 2.89Å; I138-N141 WeakPolarHBondContact O-CA 3.31Å; I138-N141 WeakPolarHBondContact O-CB 3.49Å; I138-N141 PolarHBondContact O-N 3.05Å; I138-I142 HydrophobicContact CD1-CD1 3.98Å; I138-I142 PolarHBondContact O-N 3.32Å | ||
| 139 | G | 71.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P127 F137 I142 | P127-G139 PolarHBondContact O-N 3.36Å; F137-G139 VanDerWaalsContact CE1-CA 3.47Å; G139-I142 VanDerWaalsContact O-O 3.06Å |
| 140 | Y | 73.3 | Confident | 71.7 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -13.3 | 170.2 | 71.2 | -90.6 | 0 | 0 | 0 | 113.2 | F137 I138 M143 T156 N158 E484 | F137-Y140 AromaticContact CD1-CD1 3.89Å; F137-Y140 HydrophobicContact CD1-CD1 3.89Å; F137-Y140 HydrophobicContact CD1-CE1 4.48Å; F137-Y140 HydrophobicContact CE1-CD1 4.32Å; F137-Y140 VanDerWaalsContact O-CE1 3.25Å; F137-Y140 WeakPolarHBondContact O-CE1 2.99Å; I138-Y140 PolarHBondContact O-N 2.89Å; Y140-M143 WeakPolarHBondContact O-CE 3.37Å; Y140-T156 PolarHBondContact O-OG1 3.39Å; Y140-T156 VanDerWaalsContact O-OG1 3.09Å; Y140-N158 WeakPolarHBondContact CD2-ND2 3.33Å; Y140-N158 WeakPolarHBondContact CE2-ND2 3.33Å; Y140-E484 HydrophobicContact CD1-CB 4.11Å; Y140-E484 HydrophobicContact CE1-CB 4.09Å; Y140-E484 WeakPolarHBondContact CE1-OE2 3.1Å; Y140-E484 PolarHBondContact OH-OE2 3.37Å; Y140-E484 VanDerWaalsContact OH-OE2 3.13Å |
| 141 | N | 77.4 | Confident | 71.9 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -30.9 | 172 | -65.5 | 94.5 | 0 | 0 | 0 | 112.2 | I138 I155 T156 N158 | I138-N141 WeakPolarHBondContact O-CA 3.31Å; I138-N141 WeakPolarHBondContact O-CB 3.49Å; I138-N141 PolarHBondContact O-N 3.05Å; N141-I155 CarbonylContact O-C 3.58Å; N141-I155 VanDerWaalsContact O-CA 3.27Å; N141-I155 WeakPolarHBondContact O-CA 3.22Å; N141-T156 WeakPolarHBondContact CA-OG1 3.29Å; N141-T156 PolarHBondContact ND2-O 2.95Å; N141-T156 PolarHBondContact O-N 3.28Å; N141-T156 PolarHBondContact O-OG1 2.98Å; N141-N158 PolarHBondContact ND2-ND2 2.81Å |
| 142 | I | 79.2 | Confident | 72.4 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 21% | 0.205 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 109.2 | -180 | -48.2 | -178.7 | 0 | 0 | 0 | 108.1 | Y126 I138 G139 V145 A152 I155 | Y126-I142 HydrophobicContact CD2-CB 4.48Å; Y126-I142 HydrophobicContact CE2-CB 4.18Å; I138-I142 HydrophobicContact CD1-CD1 3.98Å; I138-I142 PolarHBondContact O-N 3.32Å; G139-I142 VanDerWaalsContact O-O 3.06Å; I142-V145 HydrophobicContact CB-CG2 4.18Å; I142-V145 HydrophobicContact CG2-CG2 3.48Å; I142-V145 VanDerWaalsContact CG2-CG2 3.48Å; I142-A152 HydrophobicContact CG2-CB 3.44Å; I142-A152 VanDerWaalsContact CG2-CB 3.44Å; I142-I155 HydrophobicContact CG1-CG1 4.47Å; I142-I155 HydrophobicContact CG2-CG1 4.4Å |
| 143 | M | 76.7 | Confident | 73 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 153 | -172.2 | -50.5 | 176.6 | -170.8 | 0 | 0 | 112.3 | Y140 K153 I154 T156 M475 Y478 Y479 | Y140-M143 WeakPolarHBondContact O-CE 3.37Å; M143-K153 PolarHBondContact O-N 3.05Å; M143-I154 HydrophobicContact CB-CB 4.23Å; M143-I154 PolarHBondContact N-O 3.41Å; M143-I154 PolarHBondContact O-N 2.94Å; M143-T156 HydrophobicContact CE-CG2 3.72Å; M143-M475 HydrophobicContact CE-CE 4.15Å; M143-M475 HydrophobicContact CE-SD 3.85Å; M143-M475 HydrophobicContact SD-SD 4.44Å; M143-Y478 HydrophobicContact CB-CG 4.45Å; M143-Y478 VanDerWaalsContact SD-CB 3.57Å; M143-Y479 HydrophobicContact CE-CD2 3.66Å; M143-Y479 HydrophobicContact CE-CG 4.48Å |
| 144 | D | 76.1 | Confident | 73.8 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 53.6 | 54.7 | -178.1 | -154.3 | 40 | 0 | 0 | 0 | 112.5 | K153 Y478 | D144-K153 HydrophobicContact CB-CB 4.19Å; D144-K153 HydrophobicContact CB-CD 4.39Å; D144-K153 HydrophobicContact CB-CG 4.24Å; D144-K153 WeakPolarHBondContact OD2-CD 3.49Å; D144-K153 WeakPolarHBondContact OD2-CE 3.25Å; D144-K153 IonicContact OD2-NZ 3.72Å; D144-K153 PolarHBondContact OD2-NZ 3.21Å; D144-Y478 HydrophobicContact CB-CD1 3.7Å; D144-Y478 HydrophobicContact CB-CE1 3.38Å; D144-Y478 VanDerWaalsContact CG-CE1 3.44Å |
| 145 | V | 75.2 | Confident | 74.6 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | trans | -84.9 | 121.6 | -179.2 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | Y126 I142 D147 E151 A152 | Y126-V145 HydrophobicContact CD1-CB 4.3Å; Y126-V145 HydrophobicContact CD1-CG1 4.05Å; Y126-V145 HydrophobicContact CD2-CB 4.48Å; Y126-V145 HydrophobicContact CD2-CG1 4.38Å; Y126-V145 HydrophobicContact CD2-CG2 4Å; Y126-V145 HydrophobicContact CE1-CB 3.77Å; Y126-V145 HydrophobicContact CE1-CG1 4.02Å; Y126-V145 HydrophobicContact CE1-CG2 4.14Å; Y126-V145 HydrophobicContact CE2-CB 4Å; Y126-V145 HydrophobicContact CE2-CG1 4.39Å; Y126-V145 HydrophobicContact CE2-CG2 3.41Å; Y126-V145 VanDerWaalsContact CE2-CG2 3.41Å; Y126-V145 HydrophobicContact CG-CG1 4.21Å; Y126-V145 VanDerWaalsContact CZ-CG2 3.47Å; I142-V145 HydrophobicContact CB-CG2 4.18Å; I142-V145 HydrophobicContact CG2-CG2 3.48Å; I142-V145 VanDerWaalsContact CG2-CG2 3.48Å; V145-D147 VanDerWaalsContact CG1-OD1 3.23Å; V145-D147 WeakPolarHBondContact CG1-OD1 3.36Å; V145-E151 CarbonylContact C-O 3.09Å; V145-E151 VanDerWaalsContact CA-O 3.27Å; V145-E151 WeakPolarHBondContact CA-O 3.05Å; V145-A152 HydrophobicContact CG2-CB 4.09Å | ||
| 146 | D | 74.2 | Confident | 75.1 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -92.3 | 94.7 | 160.6 | -174.1 | -14.9 | 0 | 0 | 0 | 107.8 | K148 A149 G150 E151 | D146-K148 PolarHBondContact O-N 2.81Å; D146-K148 WeakPolarHBondContact OD1-CB 3.49Å; D146-K148 PolarHBondContact OD1-N 3.13Å; D146-A149 HydrophobicContact CB-CB 4.02Å; D146-A149 CarbonylContact O-C 3.58Å; D146-A149 PolarHBondContact O-N 2.87Å; D146-A149 VanDerWaalsContact O-N 3.13Å; D146-A149 PolarHBondContact OD1-N 3.41Å; D146-G150 PolarHBondContact O-N 2.85Å; D146-E151 PolarHBondContact N-O 3.47Å; D146-E151 PolarHBondContact O-N 3.4Å |
| 147 | D | 68.6 | Low | 75.5 | Confident | 102 Ų | 102 | 44.9 Ų | 44.9 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32 | 179.8 | -76.5 | -23.1 | 0 | 0 | 0 | 112.4 | Y126 V145 | Y126-D147 WeakPolarHBondContact CD1-OD1 3.43Å; V145-D147 VanDerWaalsContact CG1-OD1 3.23Å; V145-D147 WeakPolarHBondContact CG1-OD1 3.36Å |
| 148 | K | 70.7 | Confident | 75.7 | Confident | 206 Ų | 206 | 45.1 Ų | 45.1 | 90% | 0.896 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -37.4 | -179.5 | -66.3 | -177.4 | 178.4 | 178.7 | 0 | 111.4 | D146 | D146-K148 PolarHBondContact O-N 2.81Å; D146-K148 WeakPolarHBondContact OD1-CB 3.49Å; D146-K148 PolarHBondContact OD1-N 3.13Å |
| 149 | A | 70.9 | Confident | 75.7 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -11.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D146 E151 | D146-A149 HydrophobicContact CB-CB 4.02Å; D146-A149 CarbonylContact O-C 3.58Å; D146-A149 PolarHBondContact O-N 2.87Å; D146-A149 VanDerWaalsContact O-N 3.13Å; D146-A149 PolarHBondContact OD1-N 3.41Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 HydrophobicContact CB-CB 4.4Å; A149-E151 HydrophobicContact CB-CG 3.7Å; A149-E151 WeakPolarHBondContact O-CG 3.29Å; A149-E151 PolarHBondContact O-N 3.46Å |
| 150 | G | 71 | Confident | 75.6 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 35.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N94 D146 | N94-G150 PolarHBondContact ND2-O 2.74Å; D146-G150 PolarHBondContact O-N 2.85Å |
| 151 | E | 74.5 | Confident | 75.4 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -113.5 | 135.9 | -176.7 | -53 | -160.7 | 151.1 | 0 | 0 | 110.6 | N94 R97 V145 D146 A149 | N94-E151 HydrophobicContact CB-CB 4.11Å; N94-E151 HydrophobicContact CB-CG 4.19Å; N94-E151 WeakPolarHBondContact ND2-CA 3.5Å; N94-E151 WeakPolarHBondContact ND2-CG 3.2Å; R97-E151 IonicContact CZ-OE1 3.35Å; R97-E151 IonicContact NH2-OE1 3.47Å; R97-E151 PolarHBondContact NH2-OE1 3.33Å; V145-E151 CarbonylContact C-O 3.09Å; V145-E151 VanDerWaalsContact CA-O 3.27Å; V145-E151 WeakPolarHBondContact CA-O 3.05Å; D146-E151 PolarHBondContact N-O 3.47Å; D146-E151 PolarHBondContact O-N 3.4Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 HydrophobicContact CB-CB 4.4Å; A149-E151 HydrophobicContact CB-CG 3.7Å; A149-E151 WeakPolarHBondContact O-CG 3.29Å; A149-E151 PolarHBondContact O-N 3.46Å |
| 152 | A | 77.1 | Confident | 74.9 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | trans | -127.8 | 139.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108 | N94 V95 L96 I142 V145 | N94-A152 CarbonylContact C-O 3.59Å; N94-A152 WeakPolarHBondContact CA-O 3.2Å; N94-A152 PolarHBondContact OD1-N 2.84Å; N94-A152 VanDerWaalsContact OD1-N 3.14Å; N94-A152 PolarHBondContact OD1-O 2.91Å; V95-A152 HydrophobicContact CG1-CB 4.06Å; V95-A152 VanDerWaalsContact CG1-O 3.25Å; V95-A152 WeakPolarHBondContact CG1-O 3.39Å; V95-A152 PolarHBondContact N-O 3.43Å; L96-A152 HydrophobicContact CD1-CB 4.09Å; L96-A152 HydrophobicContact CG-CB 4.15Å; I142-A152 HydrophobicContact CG2-CB 3.44Å; I142-A152 VanDerWaalsContact CG2-CB 3.44Å; V145-A152 HydrophobicContact CG2-CB 4.09Å | ||
| 153 | K | 80 | Confident | 74.2 | Confident | 71 Ų | 71 | 52.5 Ų | 52.5 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -90.9 | -28.7 | 180 | -62.5 | -165.6 | -171.3 | 146.2 | 0 | 112.9 | M143 D144 | M143-K153 PolarHBondContact O-N 3.05Å; D144-K153 HydrophobicContact CB-CB 4.19Å; D144-K153 HydrophobicContact CB-CD 4.39Å; D144-K153 HydrophobicContact CB-CG 4.24Å; D144-K153 WeakPolarHBondContact OD2-CD 3.49Å; D144-K153 WeakPolarHBondContact OD2-CE 3.25Å; D144-K153 IonicContact OD2-NZ 3.72Å; D144-K153 PolarHBondContact OD2-NZ 3.21Å |
| 154 | I | 80.3 | Confident | 73.4 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 135.5 | -172.3 | -55.9 | -179.4 | 0 | 0 | 0 | 110.3 | L87 F88 E89 M143 T156 L474 Y478 | L87-I154 HydrophobicContact CD1-CG2 3.74Å; L87-I154 HydrophobicContact CD2-CG2 4.06Å; L87-I154 HydrophobicContact CG-CG2 3.61Å; F88-I154 WeakPolarHBondContact O-CA 3.46Å; E89-I154 HydrophobicContact CG-CG1 4.4Å; M143-I154 HydrophobicContact CB-CB 4.23Å; M143-I154 PolarHBondContact N-O 3.41Å; M143-I154 PolarHBondContact O-N 2.94Å; I154-T156 HydrophobicContact CG2-CG2 4.09Å; I154-L474 HydrophobicContact CD1-CB 4.11Å; I154-L474 HydrophobicContact CD1-CD1 4.41Å; I154-L474 HydrophobicContact CD1-CD2 3.94Å; I154-L474 HydrophobicContact CD1-CG 4.38Å; I154-Y478 HydrophobicContact CD1-CD2 3.24Å; I154-Y478 HydrophobicContact CD1-CE2 3.39Å; I154-Y478 HydrophobicContact CD1-CG 4.07Å; I154-Y478 HydrophobicContact CG1-CD2 4.49Å; I154-Y478 HydrophobicContact CG1-CE2 4.44Å |
| 155 | I | 81.5 | Confident | 72.9 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.8 | 166.5 | -68.9 | 167.5 | 0 | 0 | 0 | 108.6 | L87 F88 V95 L96 N141 I142 L157 | L87-I155 CarbonylContact C-O 3.59Å; L87-I155 WeakPolarHBondContact CA-O 3.32Å; F88-I155 HydrophobicContact CB-CB 4.46Å; F88-I155 PolarHBondContact N-O 3.49Å; F88-I155 PolarHBondContact O-N 2.94Å; F88-I155 VanDerWaalsContact O-N 3.11Å; V95-I155 HydrophobicContact CG1-CD1 3.55Å; V95-I155 HydrophobicContact CG1-CG1 3.67Å; L96-I155 HydrophobicContact CD2-CD1 3.94Å; N141-I155 CarbonylContact O-C 3.58Å; N141-I155 VanDerWaalsContact O-CA 3.27Å; N141-I155 WeakPolarHBondContact O-CA 3.22Å; I142-I155 HydrophobicContact CG1-CG1 4.47Å; I142-I155 HydrophobicContact CG2-CG1 4.4Å; I155-L157 HydrophobicContact CG2-CD2 4.32Å |
| 156 | T | 80.5 | Confident | 72.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.6 | 172.1 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | V86 L87 Y140 N141 M143 I154 M475 | V86-T156 WeakPolarHBondContact O-CA 3.41Å; L87-T156 HydrophobicContact CB-CG2 4.18Å; L87-T156 HydrophobicContact CD1-CG2 3.96Å; L87-T156 HydrophobicContact CG-CG2 4.05Å; Y140-T156 PolarHBondContact O-OG1 3.39Å; Y140-T156 VanDerWaalsContact O-OG1 3.09Å; N141-T156 WeakPolarHBondContact CA-OG1 3.29Å; N141-T156 PolarHBondContact ND2-O 2.95Å; N141-T156 PolarHBondContact O-N 3.28Å; N141-T156 PolarHBondContact O-OG1 2.98Å; M143-T156 HydrophobicContact CE-CG2 3.72Å; I154-T156 HydrophobicContact CG2-CG2 4.09Å; T156-M475 HydrophobicContact CG2-SD 4.32Å |
| 157 | L | 79.2 | Confident | 72.2 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.7 | 168 | -62.1 | -170.4 | 0 | 0 | 0 | 108.7 | Q85 V86 F88 L103 L107 I155 Y159 | Q85-L157 CarbonylContact C-O 3.47Å; Q85-L157 VanDerWaalsContact CA-O 3.26Å; Q85-L157 WeakPolarHBondContact CA-O 3.19Å; V86-L157 HydrophobicContact CB-CB 4.41Å; V86-L157 PolarHBondContact N-O 3.29Å; V86-L157 PolarHBondContact O-N 2.89Å; F88-L157 HydrophobicContact CE2-CD1 4.06Å; F88-L157 HydrophobicContact CE2-CG 4.05Å; L103-L157 HydrophobicContact CD1-CD1 3.41Å; L103-L157 VanDerWaalsContact CD1-CD1 3.41Å; L103-L157 HydrophobicContact CD1-CG 4.47Å; L103-L157 HydrophobicContact CD2-CD1 3.86Å; L103-L157 HydrophobicContact CD2-CD2 4.42Å; L103-L157 HydrophobicContact CD2-CG 4.14Å; L103-L157 HydrophobicContact CG-CD1 3.81Å; L107-L157 HydrophobicContact CD1-CD1 4.45Å; L107-L157 HydrophobicContact CD1-CD2 4.14Å; I155-L157 HydrophobicContact CG2-CD2 4.32Å; L157-Y159 HydrophobicContact CB-CD2 4.5Å; L157-Y159 HydrophobicContact CB-CE2 3.71Å; L157-Y159 HydrophobicContact CD1-CE2 4.43Å; L157-Y159 WeakPolarHBondContact CD1-OH 3.23Å |
| 158 | N | 76.8 | Confident | 72.3 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.16 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.2 | -176.1 | -66.5 | -36.5 | 0 | 0 | 0 | 108.3 | L83 Q85 Y140 N141 P160 | L83-N158 HydrophobicContact CD1-CB 3.88Å; Q85-N158 VanDerWaalsContact CG-OD1 3.3Å; Q85-N158 WeakPolarHBondContact CG-OD1 3.45Å; Q85-N158 PolarHBondContact NE2-OD1 3.14Å; Y140-N158 WeakPolarHBondContact CD2-ND2 3.33Å; Y140-N158 WeakPolarHBondContact CE2-ND2 3.33Å; N141-N158 PolarHBondContact ND2-ND2 2.81Å; N158-P160 VanDerWaalsContact O-CD 3.3Å; N158-P160 WeakPolarHBondContact O-CD 3.36Å |
| 159 | Y | 74.8 | Confident | 72.2 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 94.4 | 178.8 | -60.9 | -86.3 | 0 | 0 | 0 | 108.4 | V84 V86 L157 I161 | V84-Y159 PolarHBondContact N-O 2.92Å; V84-Y159 WeakPolarHBondContact O-CD2 3.43Å; V84-Y159 PolarHBondContact O-N 3.39Å; V86-Y159 HydrophobicContact CG2-CD2 4.49Å; V86-Y159 HydrophobicContact CG2-CE2 3.98Å; L157-Y159 HydrophobicContact CB-CD2 4.5Å; L157-Y159 HydrophobicContact CB-CE2 3.71Å; L157-Y159 HydrophobicContact CD1-CE2 4.43Å; L157-Y159 WeakPolarHBondContact CD1-OH 3.23Å; Y159-I161 PolarHBondContact O-N 2.62Å |
| 160 | P | 70.3 | Confident | 72.3 | Confident | 86 Ų | 86 | 55 Ų | 55 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118 | 173 | 29 | -32.1 | 0 | 0 | 0 | 109.3 | L83 N158 | L83-P160 HydrophobicContact CD1-CB 4.4Å; N158-P160 VanDerWaalsContact O-CD 3.3Å; N158-P160 WeakPolarHBondContact O-CD 3.36Å |
| 161 | I | 69 | Low | 72.7 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 110.2 | 178.2 | -55.1 | 175 | 0 | 0 | 0 | 108.5 | S81 Y82 V84 Y159 V172 F175 | S81-I161 CarbonylContact C-O 3.53Å; S81-I161 WeakPolarHBondContact CA-O 3.28Å; Y82-I161 PolarHBondContact N-O 3.22Å; Y82-I161 PolarHBondContact O-N 2.99Å; V84-I161 HydrophobicContact CB-CD1 4.42Å; V84-I161 HydrophobicContact CG2-CD1 3.61Å; V84-I161 HydrophobicContact CG2-CG1 4.49Å; Y159-I161 PolarHBondContact O-N 2.62Å; I161-V172 HydrophobicContact CD1-CG1 4.18Å; I161-V172 HydrophobicContact CG2-CG1 4.41Å; I161-V172 HydrophobicContact CG2-CG2 3.59Å; I161-F175 HydrophobicContact CD1-CD1 3.67Å; I161-F175 HydrophobicContact CD1-CE1 3.71Å |
| 162 | V | 66.2 | Low | 72.8 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.6 | -179.7 | 178 | 0 | 0 | 0 | 0 | 109.5 | K79 | K79-V162 HydrophobicContact CB-CG1 3.59Å; K79-V162 HydrophobicContact CG-CG1 4.49Å |
| 163 | T | 64.5 | Low | 72.8 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | trans | -114 | 136.2 | -179.5 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | K79 Q80 Y82 M168 V172 | K79-T163 WeakPolarHBondContact CB-O 3.42Å; Q80-T163 PolarHBondContact O-N 3.07Å; Y82-T163 HydrophobicContact CD2-CG2 3.87Å; Y82-T163 HydrophobicContact CE2-CG2 4.44Å; T163-M168 HydrophobicContact CG2-CB 4.47Å; T163-V172 HydrophobicContact CG2-CB 4.36Å; T163-V172 HydrophobicContact CG2-CG2 3.4Å | ||
| 164 | N | 61 | Low | 72.9 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | trans | -108.9 | -4.6 | -175.4 | -43.4 | -6.5 | 0 | 0 | 0 | 114.5 | K79 M168 | K79-N164 HydrophobicContact CD-CB 3.54Å; K79-N164 WeakPolarHBondContact CD-OD1 3.32Å; K79-N164 VanDerWaalsContact NZ-CB 3.33Å; K79-N164 PolarHBondContact NZ-ND2 2.66Å; N164-M168 HydrophobicContact CB-CE 3.41Å; N164-M168 VanDerWaalsContact CB-CE 3.41Å; N164-M168 HydrophobicContact CB-SD 4Å; N164-M168 PolarHBondContact N-SD 3.04Å | ||
| 165 | S | 65 | Low | 73 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -160.1 | 159.8 | -176.3 | 67.5 | 0 | 0 | 0 | 0 | 111 | A167 M168 M169 | S165-A167 PolarHBondContact O-N 2.8Å; S165-A167 PolarHBondContact OG-N 3.19Å; S165-M168 WeakPolarHBondContact O-CB 3.41Å; S165-M168 PolarHBondContact O-N 3.26Å; S165-M168 VanDerWaalsContact O-N 3.08Å; S165-M168 PolarHBondContact OG-N 2.84Å; S165-M168 VanDerWaalsContact OG-N 3.1Å; S165-M169 PolarHBondContact O-N 3.45Å |
| 166 | T | 66.3 | Low | 72.9 | Confident | 112 Ų | 112 | 62.9 Ų | 62.9 | 69% | 0.687 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.2 | -29.9 | 169.8 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | M169 | T166-M169 HydrophobicContact CG2-CE 3.7Å; T166-M169 PolarHBondContact O-N 3.46Å |
| 167 | A | 68.8 | Low | 72.9 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 51% | 0.512 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S165 M169 K170 E171 | S165-A167 PolarHBondContact O-N 2.8Å; S165-A167 PolarHBondContact OG-N 3.19Å; A167-M169 VanDerWaalsContact C-N 3.26Å; A167-M169 PolarHBondContact O-N 3.28Å; A167-K170 PolarHBondContact O-N 2.74Å; A167-K170 VanDerWaalsContact O-N 3.16Å; A167-E171 PolarHBondContact O-N 3.36Å |
| 168 | M | 70 | Confident | 73 | Confident | 56 Ų | 56 | 66 Ų | 66 | 28% | 0.276 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -34.1 | 174.5 | -113.5 | 176.4 | -94.1 | 0 | 0 | 112.1 | T163 N164 S165 K170 E171 V172 | T163-M168 HydrophobicContact CG2-CB 4.47Å; N164-M168 HydrophobicContact CB-CE 3.41Å; N164-M168 VanDerWaalsContact CB-CE 3.41Å; N164-M168 HydrophobicContact CB-SD 4Å; N164-M168 PolarHBondContact N-SD 3.04Å; S165-M168 WeakPolarHBondContact O-CB 3.41Å; S165-M168 PolarHBondContact O-N 3.26Å; S165-M168 VanDerWaalsContact O-N 3.08Å; S165-M168 PolarHBondContact OG-N 2.84Å; S165-M168 VanDerWaalsContact OG-N 3.1Å; M168-K170 VanDerWaalsContact C-N 3.28Å; M168-K170 PolarHBondContact O-N 3.37Å; M168-E171 WeakPolarHBondContact O-CB 3.23Å; M168-E171 PolarHBondContact O-N 2.9Å; M168-E171 VanDerWaalsContact O-N 3.07Å; M168-V172 WeakPolarHBondContact O-CG2 3.32Å; M168-V172 PolarHBondContact O-N 2.88Å |
| 169 | M | 68.6 | Low | 73.2 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 30% | 0.296 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -37.8 | 175.6 | -72.1 | -165.6 | -85.9 | 0 | 0 | 112.6 | Y82 S165 T166 A167 E171 V172 D173 | Y82-M169 HydrophobicContact CE2-CG 3.97Å; Y82-M169 HydrophobicContact CE2-SD 3.9Å; Y82-M169 PolarHBondContact OH-SD 3.47Å; S165-M169 PolarHBondContact O-N 3.45Å; T166-M169 HydrophobicContact CG2-CE 3.7Å; T166-M169 PolarHBondContact O-N 3.46Å; A167-M169 VanDerWaalsContact C-N 3.26Å; A167-M169 PolarHBondContact O-N 3.28Å; M169-E171 VanDerWaalsContact C-N 3.33Å; M169-E171 PolarHBondContact O-N 3.25Å; M169-V172 PolarHBondContact O-N 2.74Å; M169-D173 PolarHBondContact O-N 3.18Å |
| 170 | K | 73.6 | Confident | 73.4 | Confident | 169 Ų | 169 | 64.1 Ų | 64.1 | 74% | 0.735 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.4 | -37.8 | 174 | -71 | -173.7 | 177.6 | -179.9 | 0 | 112.3 | A167 M168 A174 | A167-K170 PolarHBondContact O-N 2.74Å; A167-K170 VanDerWaalsContact O-N 3.16Å; M168-K170 VanDerWaalsContact C-N 3.28Å; M168-K170 PolarHBondContact O-N 3.37Å; K170-A174 WeakPolarHBondContact O-CB 3.11Å; K170-A174 PolarHBondContact O-N 3.38Å |
| 171 | E | 79.3 | Confident | 73.8 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.5 | -39 | 175.5 | -65 | -178.4 | 173.5 | 0 | 0 | 111.6 | A167 M168 M169 A174 F175 | A167-E171 PolarHBondContact O-N 3.36Å; M168-E171 WeakPolarHBondContact O-CB 3.23Å; M168-E171 PolarHBondContact O-N 2.9Å; M168-E171 VanDerWaalsContact O-N 3.07Å; M169-E171 VanDerWaalsContact C-N 3.33Å; M169-E171 PolarHBondContact O-N 3.25Å; E171-A174 PolarHBondContact O-N 2.93Å; E171-F175 WeakPolarHBondContact O-CB 3.15Å; E171-F175 PolarHBondContact O-N 3.19Å |
| 172 | V | 76.8 | Confident | 74.4 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | Y82 I161 T163 M168 M169 A174 F175 D176 | Y82-V172 HydrophobicContact CG-CG1 4.21Å; I161-V172 HydrophobicContact CD1-CG1 4.18Å; I161-V172 HydrophobicContact CG2-CG1 4.41Å; I161-V172 HydrophobicContact CG2-CG2 3.59Å; T163-V172 HydrophobicContact CG2-CB 4.36Å; T163-V172 HydrophobicContact CG2-CG2 3.4Å; M168-V172 WeakPolarHBondContact O-CG2 3.32Å; M168-V172 PolarHBondContact O-N 2.88Å; M169-V172 PolarHBondContact O-N 2.74Å; V172-A174 VanDerWaalsContact C-N 3.29Å; V172-A174 PolarHBondContact O-N 3Å; V172-F175 PolarHBondContact O-N 3.39Å; V172-D176 VanDerWaalsContact O-CB 3.26Å; V172-D176 WeakPolarHBondContact O-CB 3.34Å; V172-D176 PolarHBondContact O-N 3.36Å |
| 173 | D | 76.5 | Confident | 74.9 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 35% | 0.353 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 175.1 | -78.8 | -29.1 | 0 | 0 | 0 | 112 | M169 A177 | M169-D173 PolarHBondContact O-N 3.18Å; D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.45Å; D173-A177 PolarHBondContact O-N 3.49Å |
| 174 | A | 80.9 | Confident | 75.4 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K170 E171 V172 A177 A178 | K170-A174 WeakPolarHBondContact O-CB 3.11Å; K170-A174 PolarHBondContact O-N 3.38Å; E171-A174 PolarHBondContact O-N 2.93Å; V172-A174 VanDerWaalsContact C-N 3.29Å; V172-A174 PolarHBondContact O-N 3Å; A174-A177 PolarHBondContact O-N 2.95Å; A174-A178 WeakPolarHBondContact O-CB 3.32Å; A174-A178 PolarHBondContact O-N 3.28Å |
| 175 | F | 82.4 | Confident | 76.1 | Confident | 106 Ų | 106 | 71.6 Ų | 71.6 | 47% | 0.465 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 174.1 | 172 | -98.2 | 0 | 0 | 0 | 111.5 | I161 E171 V172 A177 A178 L179 | I161-F175 HydrophobicContact CD1-CD1 3.67Å; I161-F175 HydrophobicContact CD1-CE1 3.71Å; E171-F175 WeakPolarHBondContact O-CB 3.15Å; E171-F175 PolarHBondContact O-N 3.19Å; V172-F175 PolarHBondContact O-N 3.39Å; F175-A177 VanDerWaalsContact C-N 3.32Å; F175-A177 PolarHBondContact O-N 2.91Å; F175-A178 PolarHBondContact O-N 2.87Å; F175-A178 VanDerWaalsContact O-N 3.13Å; F175-L179 HydrophobicContact CE1-CD2 4.19Å; F175-L179 HydrophobicContact CZ-CD2 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.19Å; F175-L179 PolarHBondContact O-N 2.85Å |
| 176 | D | 79.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.011 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 177 | -169.5 | 60.7 | 0 | 0 | 0 | 110.8 | V84 V172 L179 R180 H197 S199 S201 | V84-D176 WeakPolarHBondContact CG2-OD1 3.13Å; V172-D176 VanDerWaalsContact O-CB 3.26Å; V172-D176 WeakPolarHBondContact O-CB 3.34Å; V172-D176 PolarHBondContact O-N 3.36Å; D176-L179 PolarHBondContact O-N 3.4Å; D176-R180 WeakPolarHBondContact O-CB 3.31Å; D176-R180 VanDerWaalsContact O-CG 3.26Å; D176-R180 WeakPolarHBondContact O-CG 3.48Å; D176-R180 PolarHBondContact O-N 3.45Å; D176-R180 PolarHBondContact O-NE 3.08Å; D176-R180 IonicContact OD2-CZ 2.73Å; D176-R180 IonicContact OD2-NE 3.76Å; D176-R180 IonicContact OD2-NH1 3.26Å; D176-R180 PolarHBondContact OD2-NH1 2.75Å; D176-R180 IonicContact OD2-NH2 3.81Å; D176-H197 IonicContact OD1-CE1 3.74Å; D176-H197 PolarHBondContact OD1-CE1 3.49Å; D176-H197 IonicContact OD1-NE2 2.68Å; D176-H197 PolarHBondContact OD1-NE2 2.71Å; D176-H197 VanDerWaalsContact OD1-NE2 3.12Å; D176-H197 IonicContact OD2-CE1 2.91Å; D176-S199 VanDerWaalsContact CG-OG 3.29Å; D176-S199 VanDerWaalsContact OD1-CB 3.25Å; D176-S199 WeakPolarHBondContact OD1-CB 3.46Å; D176-S199 PolarHBondContact OD1-OG 2.84Å; D176-S199 WeakPolarHBondContact OD2-CB 3.36Å; D176-S199 PolarHBondContact OD2-OG 2.8Å; D176-S201 PolarHBondContact OD2-OG 3.44Å |
| 177 | A | 80.4 | Confident | 76.8 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D173 A174 F175 N181 | D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.45Å; D173-A177 PolarHBondContact O-N 3.49Å; A174-A177 PolarHBondContact O-N 2.95Å; F175-A177 VanDerWaalsContact C-N 3.32Å; F175-A177 PolarHBondContact O-N 2.91Å; A177-N181 WeakPolarHBondContact O-CB 3.47Å; A177-N181 PolarHBondContact O-N 2.87Å; A177-N181 PolarHBondContact O-ND2 2.98Å |
| 178 | A | 82.2 | Confident | 76.7 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A174 F175 N181 Y182 | A174-A178 WeakPolarHBondContact O-CB 3.32Å; A174-A178 PolarHBondContact O-N 3.28Å; F175-A178 PolarHBondContact O-N 2.87Å; F175-A178 VanDerWaalsContact O-N 3.13Å; A178-N181 PolarHBondContact O-N 3.45Å; A178-Y182 WeakPolarHBondContact O-CB 3.39Å; A178-Y182 PolarHBondContact O-N 2.73Å |
| 179 | L | 81.3 | Confident | 76.3 | Confident | 35 Ų | 35 | 75.1 Ų | 75.1 | 18% | 0.183 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.8 | -176.3 | 62.9 | 0 | 0 | 0 | 111.3 | V84 F175 D176 N181 Y182 L183 | V84-L179 HydrophobicContact CG1-CD2 3.75Å; F175-L179 HydrophobicContact CE1-CD2 4.19Å; F175-L179 HydrophobicContact CZ-CD2 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.19Å; F175-L179 PolarHBondContact O-N 2.85Å; D176-L179 PolarHBondContact O-N 3.4Å; L179-N181 VanDerWaalsContact C-N 3.35Å; L179-N181 PolarHBondContact O-N 3.48Å; L179-Y182 PolarHBondContact O-N 3.34Å; L179-L183 HydrophobicContact CD1-CD1 4.04Å; L179-L183 HydrophobicContact CD1-CG 4.15Å; L179-L183 HydrophobicContact CD2-CD1 4.44Å; L179-L183 HydrophobicContact CG-CD1 3.83Å; L179-L183 HydrophobicContact CG-CG 4.34Å; L179-L183 WeakPolarHBondContact O-CB 3.26Å; L179-L183 WeakPolarHBondContact O-CG 2.97Å; L179-L183 PolarHBondContact O-N 3.21Å |
| 180 | R | 78.7 | Confident | 75.8 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.2 | -48.4 | 171.6 | -77.9 | 180 | -54 | -152 | 13 | 112.4 | D176 Y182 L183 S184 H197 | D176-R180 WeakPolarHBondContact O-CB 3.31Å; D176-R180 VanDerWaalsContact O-CG 3.26Å; D176-R180 WeakPolarHBondContact O-CG 3.48Å; D176-R180 PolarHBondContact O-N 3.45Å; D176-R180 PolarHBondContact O-NE 3.08Å; D176-R180 IonicContact OD2-CZ 2.73Å; D176-R180 IonicContact OD2-NE 3.76Å; D176-R180 IonicContact OD2-NH1 3.26Å; D176-R180 PolarHBondContact OD2-NH1 2.75Å; D176-R180 IonicContact OD2-NH2 3.81Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 2.87Å; R180-L183 PolarHBondContact O-N 2.79Å; R180-S184 VanDerWaalsContact O-CB 3.3Å; R180-S184 WeakPolarHBondContact O-CB 3.48Å; R180-S184 PolarHBondContact O-N 2.95Å; R180-S184 PolarHBondContact O-OG 3.1Å; R180-H197 WeakPolarHBondContact CD-ND1 3.11Å; R180-H197 HydrophobicContact CG-CB 4.12Å; R180-H197 WeakPolarHBondContact CG-CE1 3.42Å; R180-H197 WeakPolarHBondContact CG-ND1 3.5Å |
| 181 | N | 79.7 | Confident | 75.1 | Confident | 100 Ų | 100 | 77.9 Ų | 77.9 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 179.9 | -76.3 | -25.1 | 0 | 0 | 0 | 112 | A177 A178 L179 S184 K185 | A177-N181 WeakPolarHBondContact O-CB 3.47Å; A177-N181 PolarHBondContact O-N 2.87Å; A177-N181 PolarHBondContact O-ND2 2.98Å; A178-N181 PolarHBondContact O-N 3.45Å; L179-N181 VanDerWaalsContact C-N 3.35Å; L179-N181 PolarHBondContact O-N 3.48Å; N181-S184 WeakPolarHBondContact CA-OG 3.3Å; N181-S184 PolarHBondContact O-OG 3.2Å; N181-S184 VanDerWaalsContact O-OG 3.05Å; N181-K185 WeakPolarHBondContact O-CG 3.44Å; N181-K185 PolarHBondContact O-N 2.87Å |
| 182 | Y | 80.1 | Confident | 74 | Confident | 133 Ų | 133 | 73.3 Ų | 73.3 | 52% | 0.522 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.2 | -52.7 | 174.1 | 178.3 | -99.4 | 0 | 0 | 0 | 111.7 | A178 L179 R180 S184 K185 V186 | A178-Y182 WeakPolarHBondContact O-CB 3.39Å; A178-Y182 PolarHBondContact O-N 2.73Å; L179-Y182 PolarHBondContact O-N 3.34Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 2.87Å; Y182-S184 PolarHBondContact O-N 3.23Å; Y182-K185 WeakPolarHBondContact O-CB 3.44Å; Y182-K185 PolarHBondContact O-N 3.31Å; Y182-K185 VanDerWaalsContact O-N 3.09Å; Y182-V186 HydrophobicContact CD1-CG2 4.23Å; Y182-V186 HydrophobicContact CD2-CG2 4.45Å; Y182-V186 HydrophobicContact CE1-CG2 3.8Å; Y182-V186 HydrophobicContact CE2-CG2 4.05Å; Y182-V186 WeakPolarHBondContact O-CG2 3.29Å; Y182-V186 PolarHBondContact O-N 2.72Å |
| 183 | L | 77 | Confident | 73.3 | Confident | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | -178 | -71.1 | 170.7 | 0 | 0 | 0 | 112.3 | V86 L179 R180 K185 V186 C187 H197 | V86-L183 HydrophobicContact CB-CD1 4.4Å; V86-L183 HydrophobicContact CG1-CD1 3.89Å; V86-L183 HydrophobicContact CG1-CD2 4.33Å; V86-L183 HydrophobicContact CG2-CD1 3.54Å; L179-L183 HydrophobicContact CD1-CD1 4.04Å; L179-L183 HydrophobicContact CD1-CG 4.15Å; L179-L183 HydrophobicContact CD2-CD1 4.44Å; L179-L183 HydrophobicContact CG-CD1 3.83Å; L179-L183 HydrophobicContact CG-CG 4.34Å; L179-L183 WeakPolarHBondContact O-CB 3.26Å; L179-L183 WeakPolarHBondContact O-CG 2.97Å; L179-L183 PolarHBondContact O-N 3.21Å; R180-L183 PolarHBondContact O-N 2.79Å; L183-K185 PolarHBondContact O-N 3.46Å; L183-V186 PolarHBondContact O-N 3.38Å; L183-C187 VanDerWaalsContact O-CB 3.24Å; L183-C187 WeakPolarHBondContact O-CB 3.26Å; L183-C187 PolarHBondContact O-N 3.26Å; L183-C187 PolarHBondContact O-SG 3.41Å; L183-H197 HydrophobicContact CD1-CB 3.92Å |
| 184 | S | 75.1 | Confident | 72.9 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 38% | 0.378 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -31.6 | 175 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | R180 N181 Y182 N188 | R180-S184 VanDerWaalsContact O-CB 3.3Å; R180-S184 WeakPolarHBondContact O-CB 3.48Å; R180-S184 PolarHBondContact O-N 2.95Å; R180-S184 PolarHBondContact O-OG 3.1Å; N181-S184 WeakPolarHBondContact CA-OG 3.3Å; N181-S184 PolarHBondContact O-OG 3.2Å; N181-S184 VanDerWaalsContact O-OG 3.05Å; Y182-S184 PolarHBondContact O-N 3.23Å; S184-N188 WeakPolarHBondContact O-CB 3.25Å; S184-N188 VanDerWaalsContact O-CG 3.29Å; S184-N188 PolarHBondContact O-N 2.88Å; S184-N188 PolarHBondContact O-ND2 3.41Å |
| 185 | K | 75.2 | Confident | 72.8 | Confident | 143 Ų | 143 | 69.9 Ų | 69.9 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -75.4 | -39.5 | 173.7 | -72.2 | 173.9 | -177 | 177.6 | 0 | 112.4 | N181 Y182 L183 K189 | N181-K185 WeakPolarHBondContact O-CG 3.44Å; N181-K185 PolarHBondContact O-N 2.87Å; Y182-K185 WeakPolarHBondContact O-CB 3.44Å; Y182-K185 PolarHBondContact O-N 3.31Å; Y182-K185 VanDerWaalsContact O-N 3.09Å; L183-K185 PolarHBondContact O-N 3.46Å; K185-K189 WeakPolarHBondContact O-CB 3.41Å; K185-K189 WeakPolarHBondContact O-CD 3.49Å; K185-K189 WeakPolarHBondContact O-CG 3.42Å; K185-K189 PolarHBondContact O-N 3.42Å |
| 186 | V | 74.3 | Confident | 72.5 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.1 | -49.9 | -178.4 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | Y182 L183 K189 | Y182-V186 HydrophobicContact CD1-CG2 4.23Å; Y182-V186 HydrophobicContact CD2-CG2 4.45Å; Y182-V186 HydrophobicContact CE1-CG2 3.8Å; Y182-V186 HydrophobicContact CE2-CG2 4.05Å; Y182-V186 WeakPolarHBondContact O-CG2 3.29Å; Y182-V186 PolarHBondContact O-N 2.72Å; L183-V186 PolarHBondContact O-N 3.38Å; V186-K189 PolarHBondContact O-N 3.09Å |
| 187 | C | 71.9 | Confident | 72.6 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.5 | -26.6 | -173.8 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | L183 L193 C195 | L183-C187 VanDerWaalsContact O-CB 3.24Å; L183-C187 WeakPolarHBondContact O-CB 3.26Å; L183-C187 PolarHBondContact O-N 3.26Å; L183-C187 PolarHBondContact O-SG 3.41Å; C187-L193 WeakPolarHBondContact CB-O 3.41Å; C187-C195 HydrophobicContact CB-CB 3.87Å; C187-C195 WeakPolarHBondContact CB-SG 3.43Å; C187-C195 WeakPolarHBondContact SG-CB 3.32Å; C187-C195 CovalentContact SG-SG 2.01Å; C187-C195 PolarHBondContact SG-SG 2.71Å |
| 188 | N | 67.8 | Low | 72.6 | Confident | 133 Ų | 133 | 66.1 Ų | 66.1 | 71% | 0.711 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -80.8 | -22.8 | 172.1 | -74.2 | -31.9 | 0 | 0 | 0 | 113.7 | S184 | S184-N188 WeakPolarHBondContact O-CB 3.25Å; S184-N188 VanDerWaalsContact O-CG 3.29Å; S184-N188 PolarHBondContact O-N 2.88Å; S184-N188 PolarHBondContact O-ND2 3.41Å |
| 189 | K | 62.3 | Low | 72.5 | Confident | 173 Ų | 173 | 63.6 Ų | 63.6 | 75% | 0.752 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.6 | -44.6 | -179.2 | -91 | 178.6 | 179.2 | -172 | 0 | 111.6 | K185 V186 | K185-K189 WeakPolarHBondContact O-CB 3.41Å; K185-K189 WeakPolarHBondContact O-CD 3.49Å; K185-K189 WeakPolarHBondContact O-CG 3.42Å; K185-K189 PolarHBondContact O-N 3.42Å; V186-K189 PolarHBondContact O-N 3.09Å |
| 190 | D | 58.1 | Low | 72.2 | Confident | 74 Ų | 74 | 66.4 Ų | 66.4 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -94 | 102.4 | 174.5 | -74.4 | -28.5 | 0 | 0 | 0 | 108.5 | T100 G192 L193 | T100-D190 HydrophobicContact CG2-CB 4.16Å; T100-D190 WeakPolarHBondContact CG2-OD2 3.45Å; D190-G192 PolarHBondContact O-N 3.05Å; D190-L193 HydrophobicContact CB-CB 4.48Å; D190-L193 PolarHBondContact O-N 3.47Å |
| 191 | K | 57.7 | Low | 72 | Confident | 213 Ų | 213 | 65.6 Ų | 65.6 | 93% | 0.926 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -8.6 | 172.4 | -72.3 | -175.3 | 177.2 | -179.5 | 0 | 114.2 | ||
| 192 | G | 56.9 | Low | 72.2 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 3.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | D190 | D190-G192 PolarHBondContact O-N 3.05Š|
| 193 | L | 62.5 | Low | 72.3 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | trans | -125.6 | 76.1 | 179.3 | -155.8 | 93.2 | 0 | 0 | 0 | 112.8 | F88 M98 T100 C187 D190 C195 | F88-L193 HydrophobicContact CD1-CD2 4.28Å; F88-L193 HydrophobicContact CD1-CG 4.39Å; F88-L193 HydrophobicContact CE1-CD2 3.99Å; M98-L193 HydrophobicContact SD-CD1 3.57Å; M98-L193 VanDerWaalsContact SD-CD1 3.57Å; M98-L193 HydrophobicContact SD-CG 4.32Å; T100-L193 WeakPolarHBondContact O-CD1 3.35Å; T100-L193 WeakPolarHBondContact OG1-CD1 3.38Å; C187-L193 WeakPolarHBondContact CB-O 3.41Å; D190-L193 HydrophobicContact CB-CB 4.48Å; D190-L193 PolarHBondContact O-N 3.47Å; L193-C195 PolarHBondContact O-N 2.63Å | ||
| 194 | P | 68.2 | Low | 72.6 | Confident | 41 Ų | 41 | 57 Ų | 57 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | trans | -66.6 | 98.8 | 172.4 | -6.5 | 21.5 | 0 | 0 | 0 | 109 | E89 | E89-P194 PolarHBondContact N-O 2.84Å; E89-P194 WeakPolarHBondContact O-CB 3.5Å; E89-P194 WeakPolarHBondContact O-CD 3.44Å; E89-P194 WeakPolarHBondContact O-CG 3.38Å | ||
| 195 | C | 77.2 | Confident | 73 | Confident | 21 Ų | 21 | 59 Ų | 59 | 14% | 0.142 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 142.9 | 167.7 | 92.6 | 0 | 0 | 0 | 0 | 109.9 | V86 L87 F88 C187 L193 | V86-C195 HydrophobicContact CG1-CB 4.37Å; L87-C195 CarbonylContact O-C 3.6Å; L87-C195 WeakPolarHBondContact O-CA 3.46Å; F88-C195 HydrophobicContact CD1-CB 3.64Å; F88-C195 HydrophobicContact CE1-CB 3.43Å; F88-C195 VanDerWaalsContact CE1-CB 3.43Å; F88-C195 HydrophobicContact CG-CB 4.45Å; F88-C195 HydrophobicContact CZ-CB 4.08Å; C187-C195 HydrophobicContact CB-CB 3.87Å; C187-C195 WeakPolarHBondContact CB-SG 3.43Å; C187-C195 WeakPolarHBondContact SG-CB 3.32Å; C187-C195 CovalentContact SG-SG 2.01Å; C187-C195 PolarHBondContact SG-SG 2.71Å; L193-C195 PolarHBondContact O-N 2.63Å |
| 196 | I | 77.6 | Confident | 73.6 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.8 | 178.3 | -48.9 | 174.1 | 0 | 0 | 0 | 107.3 | L87 P467 R470 F471 L474 | L87-I196 HydrophobicContact CD2-CD1 4.37Å; L87-I196 PolarHBondContact N-O 2.96Å; L87-I196 PolarHBondContact O-N 3.25Å; I196-P467 HydrophobicContact CG2-CB 4.41Å; I196-R470 HydrophobicContact CD1-CB 3.89Å; I196-R470 HydrophobicContact CD1-CG 3.49Å; I196-R470 VanDerWaalsContact CD1-CG 3.49Å; I196-F471 HydrophobicContact CB-CD2 4.5Å; I196-F471 HydrophobicContact CG2-CB 3.8Å; I196-F471 HydrophobicContact CG2-CD2 4.35Å; I196-L474 HydrophobicContact CD1-CD1 4.44Å |
| 197 | H | 80.4 | Confident | 74.2 | Confident | 17 Ų | 17 | 52 Ų | 52 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 137.4 | 169.9 | 174.8 | -72.7 | 0 | 0 | 0 | 109.8 | V84 D176 R180 L183 | V84-H197 VanDerWaalsContact CG1-NE2 3.31Å; V84-H197 WeakPolarHBondContact CG1-NE2 3.41Å; D176-H197 IonicContact OD1-CE1 3.74Å; D176-H197 PolarHBondContact OD1-CE1 3.49Å; D176-H197 IonicContact OD1-NE2 2.68Å; D176-H197 PolarHBondContact OD1-NE2 2.71Å; D176-H197 VanDerWaalsContact OD1-NE2 3.12Å; D176-H197 IonicContact OD2-CE1 2.91Å; R180-H197 WeakPolarHBondContact CD-ND1 3.11Å; R180-H197 HydrophobicContact CG-CB 4.12Å; R180-H197 WeakPolarHBondContact CG-CE1 3.42Å; R180-H197 WeakPolarHBondContact CG-ND1 3.5Å; L183-H197 HydrophobicContact CD1-CB 3.92Å |
| 198 | F | 80.5 | Confident | 74.9 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 140.5 | 174.4 | -178 | -92.7 | 0 | 0 | 0 | 111.8 | Q85 L203 F471 | Q85-F198 PolarHBondContact N-O 2.86Å; Q85-F198 PolarHBondContact O-N 3.39Å; Q85-F198 VanDerWaalsContact O-O 3.06Å; F198-L203 HydrophobicContact CE2-CB 3.68Å; F198-L203 HydrophobicContact CE2-CD1 4.25Å; F198-L203 HydrophobicContact CE2-CD2 4.15Å; F198-L203 HydrophobicContact CE2-CG 4.23Å; F198-L203 HydrophobicContact CZ-CB 3.83Å; F198-L203 HydrophobicContact CZ-CD2 3.86Å; F198-L203 HydrophobicContact CZ-CG 4.35Å; F198-F471 HydrophobicContact CB-CD1 3.66Å; F198-F471 HydrophobicContact CB-CD2 3.47Å; F198-F471 VanDerWaalsContact CB-CD2 3.47Å; F198-F471 HydrophobicContact CB-CE1 3.54Å; F198-F471 HydrophobicContact CB-CE2 3.33Å; F198-F471 HydrophobicContact CB-CG 3.62Å; F198-F471 HydrophobicContact CB-CZ 3.38Å; F198-F471 AromaticContact CD1-CD1 3.83Å; F198-F471 HydrophobicContact CD1-CD1 3.83Å; F198-F471 AromaticContact CD1-CE1 3.14Å; F198-F471 HydrophobicContact CD1-CE1 3.14Å; F198-F471 HydrophobicContact CD1-CE2 4.31Å; F198-F471 AromaticContact CD1-CZ 3.44Å; F198-F471 HydrophobicContact CD1-CZ 3.44Å; F198-F471 VanDerWaalsContact CD1-CZ 3.44Å; F198-F471 HydrophobicContact CD2-CB 4.21Å; F198-F471 AromaticContact CD2-CD1 3.07Å; F198-F471 HydrophobicContact CD2-CD1 3.07Å; F198-F471 HydrophobicContact CD2-CD2 4.38Å; F198-F471 AromaticContact CD2-CE1 3.38Å; F198-F471 HydrophobicContact CD2-CE1 3.38Å; F198-F471 AromaticContact CD2-CG 3.64Å; F198-F471 HydrophobicContact CD2-CG 3.64Å; F198-F471 HydrophobicContact CD2-CZ 4.16Å; F198-F471 HydrophobicContact CE1-CD1 4.19Å; F198-F471 AromaticContact CE1-CE1 3.52Å; F198-F471 HydrophobicContact CE1-CE1 3.52Å; F198-F471 HydrophobicContact CE1-CZ 4.19Å; F198-F471 AromaticContact CE2-CD1 3.47Å; F198-F471 HydrophobicContact CE2-CD1 3.47Å; F198-F471 VanDerWaalsContact CE2-CD1 3.47Å; F198-F471 AromaticContact CE2-CE1 3.71Å; F198-F471 HydrophobicContact CE2-CE1 3.71Å; F198-F471 HydrophobicContact CE2-CG 4.41Å; F198-F471 AromaticContact CG-CD1 3.24Å; F198-F471 HydrophobicContact CG-CD1 3.24Å; F198-F471 HydrophobicContact CG-CD2 4.05Å; F198-F471 AromaticContact CG-CE1 3.05Å; F198-F471 HydrophobicContact CG-CE1 3.05Å; F198-F471 AromaticContact CG-CE2 3.89Å; F198-F471 HydrophobicContact CG-CE2 3.89Å; F198-F471 AromaticContact CG-CG 3.75Å; F198-F471 HydrophobicContact CG-CG 3.75Å; F198-F471 AromaticContact CG-CZ 3.41Å; F198-F471 HydrophobicContact CG-CZ 3.41Å; F198-F471 VanDerWaalsContact CG-CZ 3.41Å; F198-F471 HydrophobicContact CZ-CD1 4.02Å; F198-F471 AromaticContact CZ-CE1 3.78Å; F198-F471 HydrophobicContact CZ-CE1 3.78Å |
| 199 | S | 79.3 | Confident | 75.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 158.8 | 167 | 62.6 | 0 | 0 | 0 | 0 | 107.9 | D176 S201 F202 L203 | D176-S199 VanDerWaalsContact CG-OG 3.29Å; D176-S199 VanDerWaalsContact OD1-CB 3.25Å; D176-S199 WeakPolarHBondContact OD1-CB 3.46Å; D176-S199 PolarHBondContact OD1-OG 2.84Å; D176-S199 WeakPolarHBondContact OD2-CB 3.36Å; D176-S199 PolarHBondContact OD2-OG 2.8Å; S199-S201 VanDerWaalsContact C-N 3.27Å; S199-S201 PolarHBondContact O-N 3.34Å; S199-S201 PolarHBondContact OG-OG 3.19Å; S199-F202 WeakPolarHBondContact O-CB 3.42Å; S199-F202 PolarHBondContact O-N 2.83Å; S199-F202 VanDerWaalsContact O-N 3.15Å; S199-F202 WeakPolarHBondContact OG-CB 3.44Å; S199-F202 PolarHBondContact OG-N 2.81Å; S199-L203 PolarHBondContact O-N 3.4Å |
| 200 | R | 75 | Confident | 77.2 | Confident | 95 Ų | 95 | 44.6 Ų | 44.6 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.8 | -46.5 | 174.7 | -173.8 | 174.6 | 174.9 | -139.1 | -9.2 | 110.3 | D48 D50 F202 L203 M204 | D48-R200 IonicContact OD1-NH2 3.21Å; D48-R200 PolarHBondContact OD1-NH2 2.98Å; D48-R200 IonicContact OD2-NH2 3.21Å; D48-R200 PolarHBondContact OD2-NH2 3.43Å; D50-R200 IonicContact OD2-CZ 3.66Å; D50-R200 IonicContact OD2-NE 3.35Å; D50-R200 PolarHBondContact OD2-NE 2.91Å; D50-R200 IonicContact OD2-NH2 2.82Å; D50-R200 PolarHBondContact OD2-NH2 3.45Å; R200-F202 VanDerWaalsContact C-N 3.33Å; R200-F202 PolarHBondContact O-N 3.08Å; R200-L203 PolarHBondContact O-N 3.09Å; R200-L203 VanDerWaalsContact O-N 3.17Å; R200-M204 HydrophobicContact CG-CE 3.67Å; R200-M204 VanDerWaalsContact O-CG 3.32Å; R200-M204 WeakPolarHBondContact O-CG 3.49Å; R200-M204 PolarHBondContact O-N 2.97Å |
| 201 | S | 76 | Confident | 78.6 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | D176 S199 M204 Q205 | D176-S201 PolarHBondContact OD2-OG 3.44Å; S199-S201 VanDerWaalsContact C-N 3.27Å; S199-S201 PolarHBondContact O-N 3.34Å; S199-S201 PolarHBondContact OG-OG 3.19Å; S201-M204 PolarHBondContact O-N 2.69Å; S201-Q205 WeakPolarHBondContact O-CB 3.47Å; S201-Q205 VanDerWaalsContact O-CG 3.28Å; S201-Q205 WeakPolarHBondContact O-CG 3.37Å; S201-Q205 PolarHBondContact O-N 2.92Å |
| 202 | F | 82.6 | Confident | 80.2 | Confident | 35 Ų | 35 | 34.7 Ų | 34.7 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 173.1 | -178.2 | -115.5 | 0 | 0 | 0 | 112.4 | S199 R200 Q205 Q206 A468 | S199-F202 WeakPolarHBondContact O-CB 3.42Å; S199-F202 PolarHBondContact O-N 2.83Å; S199-F202 VanDerWaalsContact O-N 3.15Å; S199-F202 WeakPolarHBondContact OG-CB 3.44Å; S199-F202 PolarHBondContact OG-N 2.81Å; R200-F202 VanDerWaalsContact C-N 3.33Å; R200-F202 PolarHBondContact O-N 3.08Å; F202-Q205 PolarHBondContact O-N 3.26Å; F202-Q206 WeakPolarHBondContact O-CB 3.39Å; F202-Q206 PolarHBondContact O-N 3.15Å; F202-A468 HydrophobicContact CD1-CB 4.24Å; F202-A468 HydrophobicContact CE1-CB 3.79Å |
| 203 | L | 83.6 | Confident | 81.7 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 177.5 | 179.1 | 62.3 | 0 | 0 | 0 | 111.3 | L49 F198 S199 R200 Q205 Q206 A207 A458 V462 A468 | L49-L203 HydrophobicContact CD1-CD2 4.17Å; L49-L203 HydrophobicContact CD1-CG 4.12Å; F198-L203 HydrophobicContact CE2-CB 3.68Å; F198-L203 HydrophobicContact CE2-CD1 4.25Å; F198-L203 HydrophobicContact CE2-CD2 4.15Å; F198-L203 HydrophobicContact CE2-CG 4.23Å; F198-L203 HydrophobicContact CZ-CB 3.83Å; F198-L203 HydrophobicContact CZ-CD2 3.86Å; F198-L203 HydrophobicContact CZ-CG 4.35Å; S199-L203 PolarHBondContact O-N 3.4Å; R200-L203 PolarHBondContact O-N 3.09Å; R200-L203 VanDerWaalsContact O-N 3.17Å; L203-Q205 PolarHBondContact O-N 3.43Å; L203-Q206 PolarHBondContact O-N 3.09Å; L203-A207 WeakPolarHBondContact O-CB 3.49Å; L203-A207 PolarHBondContact O-N 3.24Å; L203-A458 HydrophobicContact CD1-CB 4.45Å; L203-A458 HydrophobicContact CD2-CB 3.83Å; L203-V462 HydrophobicContact CD1-CG1 4.1Å; L203-A468 HydrophobicContact CD1-CB 4.34Å |
| 204 | M | 82.1 | Confident | 83 | Confident | 21 Ų | 21 | 34.6 Ų | 34.6 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 179 | -58.1 | -48.2 | 168.8 | 0 | 0 | 111.4 | L47 L49 R200 S201 Q206 A207 M208 | L47-M204 HydrophobicContact CB-CB 4.46Å; L49-M204 HydrophobicContact CB-CE 3.81Å; L49-M204 HydrophobicContact CB-SD 3.62Å; L49-M204 HydrophobicContact CD1-CE 4.15Å; L49-M204 HydrophobicContact CD1-SD 3.44Å; L49-M204 WeakPolarHBondContact CD1-SD 3.45Å; L49-M204 HydrophobicContact CG-CE 4.09Å; L49-M204 HydrophobicContact CG-SD 3.25Å; L49-M204 WeakPolarHBondContact CG-SD 3.49Å; L49-M204 PolarHBondContact N-SD 2.68Å; L49-M204 VanDerWaalsContact N-SD 3.41Å; R200-M204 HydrophobicContact CG-CE 3.67Å; R200-M204 VanDerWaalsContact O-CG 3.32Å; R200-M204 WeakPolarHBondContact O-CG 3.49Å; R200-M204 PolarHBondContact O-N 2.97Å; S201-M204 PolarHBondContact O-N 2.69Å; M204-Q206 VanDerWaalsContact C-N 3.31Å; M204-Q206 PolarHBondContact O-N 2.97Å; M204-A207 PolarHBondContact O-N 2.9Å; M204-M208 PolarHBondContact O-N 2.97Å; M204-M208 VanDerWaalsContact O-N 3.07Å |
| 205 | Q | 83.1 | Confident | 84.1 | Confident | 97 Ų | 97 | 35.8 Ų | 35.8 | 45% | 0.453 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 177 | -74.9 | 176.2 | -7.4 | 0 | 0 | 111.8 | S201 F202 L203 M208 K209 | S201-Q205 WeakPolarHBondContact O-CB 3.47Å; S201-Q205 VanDerWaalsContact O-CG 3.28Å; S201-Q205 WeakPolarHBondContact O-CG 3.37Å; S201-Q205 PolarHBondContact O-N 2.92Å; F202-Q205 PolarHBondContact O-N 3.26Å; L203-Q205 PolarHBondContact O-N 3.43Å; Q205-M208 PolarHBondContact O-N 3.34Å; Q205-K209 WeakPolarHBondContact O-CB 3.12Å; Q205-K209 PolarHBondContact O-N 2.82Å |
| 206 | Q | 87.8 | Confident | 84.7 | Confident | 23 Ų | 23 | 39 Ų | 39 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75 | -32.8 | -177.6 | -174 | 54.5 | 45.4 | 0 | 0 | 112.8 | F202 L203 M204 S210 V462 S466 A468 | F202-Q206 WeakPolarHBondContact O-CB 3.39Å; F202-Q206 PolarHBondContact O-N 3.15Å; L203-Q206 PolarHBondContact O-N 3.09Å; M204-Q206 VanDerWaalsContact C-N 3.31Å; M204-Q206 PolarHBondContact O-N 2.97Å; Q206-S210 VanDerWaalsContact O-CB 3.31Å; Q206-S210 WeakPolarHBondContact O-CB 3.34Å; Q206-S210 PolarHBondContact O-N 2.94Å; Q206-S210 PolarHBondContact O-OG 3.13Å; Q206-V462 HydrophobicContact CB-CG1 4.35Å; Q206-V462 HydrophobicContact CG-CG1 3.92Å; Q206-S466 WeakPolarHBondContact CG-OG 3.27Å; Q206-S466 PolarHBondContact NE2-OG 3.37Å; Q206-A468 HydrophobicContact CB-CB 4.2Å; Q206-A468 HydrophobicContact CG-CB 3.79Å |
| 207 | A | 87.2 | Confident | 85.4 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L49 L203 M204 K209 S210 A211 L461 V462 | L49-A207 HydrophobicContact CD1-CB 4.35Å; L49-A207 HydrophobicContact CD2-CB 4.49Å; L203-A207 WeakPolarHBondContact O-CB 3.49Å; L203-A207 PolarHBondContact O-N 3.24Å; M204-A207 PolarHBondContact O-N 2.9Å; A207-K209 PolarHBondContact O-N 3.05Å; A207-S210 WeakPolarHBondContact O-CB 3.21Å; A207-S210 PolarHBondContact O-N 3.12Å; A207-S210 VanDerWaalsContact O-N 3.15Å; A207-A211 PolarHBondContact O-N 3.06Å; A207-L461 WeakPolarHBondContact CA-O 3.46Å; A207-L461 HydrophobicContact CB-CB 4.37Å; A207-V462 HydrophobicContact CB-CG1 4.43Å |
| 208 | M | 86.3 | Confident | 86 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 175.7 | -175.8 | 54.8 | 168.4 | 0 | 0 | 112.5 | Q45 L47 M204 Q205 S210 A211 L212 | Q45-M208 HydrophobicContact CG-CE 4.26Å; Q45-M208 VanDerWaalsContact NE2-CE 3.28Å; L47-M208 HydrophobicContact CD2-CB 3.44Å; L47-M208 VanDerWaalsContact CD2-CB 3.44Å; L47-M208 HydrophobicContact CD2-CG 3.62Å; L47-M208 HydrophobicContact CD2-SD 4.39Å; M204-M208 PolarHBondContact O-N 2.97Å; M204-M208 VanDerWaalsContact O-N 3.07Å; Q205-M208 PolarHBondContact O-N 3.34Å; M208-S210 PolarHBondContact O-N 3.07Å; M208-A211 PolarHBondContact O-N 3.48Å; M208-A211 VanDerWaalsContact O-N 3.17Å; M208-A211 HydrophobicContact SD-CB 4.43Å; M208-L212 HydrophobicContact CE-CD1 4.15Å; M208-L212 HydrophobicContact CE-CD2 3.99Å; M208-L212 HydrophobicContact CE-CG 3.99Å; M208-L212 HydrophobicContact CG-CD1 4.1Å; M208-L212 HydrophobicContact CG-CG 4.33Å; M208-L212 WeakPolarHBondContact O-CB 3.41Å; M208-L212 WeakPolarHBondContact O-CG 3.37Å; M208-L212 PolarHBondContact O-N 2.89Å; M208-L212 HydrophobicContact SD-CG 4.22Å |
| 209 | K | 89.1 | Confident | 86.6 | Confident | 142 Ų | 142 | 40.8 Ų | 40.8 | 62% | 0.617 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59 | -36.3 | 173.8 | -173.2 | 178 | -179.3 | -179.6 | 0 | 112 | Q205 A207 A213 | Q205-K209 WeakPolarHBondContact O-CB 3.12Å; Q205-K209 PolarHBondContact O-N 2.82Å; A207-K209 PolarHBondContact O-N 3.05Å; K209-A213 PolarHBondContact O-N 3.21Å |
| 210 | S | 89.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | Q206 A207 M208 A213 V462 V463 | Q206-S210 VanDerWaalsContact O-CB 3.31Å; Q206-S210 WeakPolarHBondContact O-CB 3.34Å; Q206-S210 PolarHBondContact O-N 2.94Å; Q206-S210 PolarHBondContact O-OG 3.13Å; A207-S210 WeakPolarHBondContact O-CB 3.21Å; A207-S210 PolarHBondContact O-N 3.12Å; A207-S210 VanDerWaalsContact O-N 3.15Å; M208-S210 PolarHBondContact O-N 3.07Å; S210-A213 WeakPolarHBondContact O-CB 3.29Å; S210-A213 PolarHBondContact O-N 2.91Å; S210-V462 WeakPolarHBondContact OG-CA 3.41Å; S210-V463 PolarHBondContact OG-N 2.65Å |
| 211 | A | 88.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -46.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A207 M208 A213 L214 V277 | A207-A211 PolarHBondContact O-N 3.06Å; M208-A211 PolarHBondContact O-N 3.48Å; M208-A211 VanDerWaalsContact O-N 3.17Å; M208-A211 HydrophobicContact SD-CB 4.43Å; A211-A213 PolarHBondContact O-N 3.33Å; A211-L214 VanDerWaalsContact O-CB 3.26Å; A211-L214 WeakPolarHBondContact O-CB 3.41Å; A211-L214 PolarHBondContact O-N 3.35Å; A211-V277 HydrophobicContact CB-CG2 4.09Å; A211-V277 WeakPolarHBondContact O-CG1 3.42Å |
| 212 | L | 89.7 | Confident | 89 | Confident | 78 Ų | 78 | 43.3 Ų | 43.3 | 41% | 0.408 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -21.3 | 177.8 | -70.3 | 174.8 | 0 | 0 | 0 | 113.5 | M208 L214 V215 | M208-L212 HydrophobicContact CE-CD1 4.15Å; M208-L212 HydrophobicContact CE-CD2 3.99Å; M208-L212 HydrophobicContact CE-CG 3.99Å; M208-L212 HydrophobicContact CG-CD1 4.1Å; M208-L212 HydrophobicContact CG-CG 4.33Å; M208-L212 WeakPolarHBondContact O-CB 3.41Å; M208-L212 WeakPolarHBondContact O-CG 3.37Å; M208-L212 PolarHBondContact O-N 2.89Å; M208-L212 HydrophobicContact SD-CG 4.22Å; L212-L214 PolarHBondContact O-N 3.02Å; L212-L214 VanDerWaalsContact O-N 3.16Å; L212-V215 HydrophobicContact CD2-CG2 3.98Å; L212-V215 WeakPolarHBondContact O-CB 3.38Å; L212-V215 WeakPolarHBondContact O-CG2 3.42Å; L212-V215 PolarHBondContact O-N 3.47Å |
| 213 | A | 89.9 | Confident | 89.6 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | K209 S210 A211 P216 V463 V753 | K209-A213 PolarHBondContact O-N 3.21Å; S210-A213 WeakPolarHBondContact O-CB 3.29Å; S210-A213 PolarHBondContact O-N 2.91Å; A211-A213 PolarHBondContact O-N 3.33Å; A213-P216 WeakPolarHBondContact O-CD 3.47Å; A213-V463 HydrophobicContact CB-CG1 4.49Å; A213-V753 HydrophobicContact CB-CG1 4.17Å; A213-V753 WeakPolarHBondContact O-CG2 3.48Å |
| 214 | L | 89 | Confident | 90.1 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.7 | 172.6 | -65.4 | 160 | 0 | 0 | 0 | 113.3 | A211 L212 A217 I218 V277 L750 V753 Y755 | A211-L214 VanDerWaalsContact O-CB 3.26Å; A211-L214 WeakPolarHBondContact O-CB 3.41Å; A211-L214 PolarHBondContact O-N 3.35Å; L212-L214 PolarHBondContact O-N 3.02Å; L212-L214 VanDerWaalsContact O-N 3.16Å; L214-A217 WeakPolarHBondContact O-CA 3.41Å; L214-A217 WeakPolarHBondContact O-CB 3.36Å; L214-A217 PolarHBondContact O-N 3.06Å; L214-I218 PolarHBondContact O-N 3.41Å; L214-V277 HydrophobicContact CB-CG1 3.8Å; L214-V277 HydrophobicContact CD1-CG1 4.31Å; L214-L750 HydrophobicContact CD2-CD2 3.81Å; L214-V753 HydrophobicContact CD2-CB 4.01Å; L214-V753 HydrophobicContact CD2-CG2 3.95Å; L214-Y755 HydrophobicContact CD1-CD1 3.83Å; L214-Y755 HydrophobicContact CD1-CE1 3.95Å; L214-Y755 HydrophobicContact CG-CD1 4.34Å |
| 215 | V | 90.5 | Very high | 90.7 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 41% | 0.406 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | -178.2 | 174 | 0 | 0 | 0 | 0 | 112.2 | L212 A217 I218 V277 | L212-V215 HydrophobicContact CD2-CG2 3.98Å; L212-V215 WeakPolarHBondContact O-CB 3.38Å; L212-V215 WeakPolarHBondContact O-CG2 3.42Å; L212-V215 PolarHBondContact O-N 3.47Å; V215-A217 PolarHBondContact O-N 2.95Å; V215-I218 VanDerWaalsContact O-CB 3.26Å; V215-I218 WeakPolarHBondContact O-CB 3.26Å; V215-I218 WeakPolarHBondContact O-CG1 3.06Å; V215-I218 PolarHBondContact O-N 2.95Å; V215-V277 HydrophobicContact CG2-CG1 4.39Å |
| 216 | P | 91.4 | Very high | 91.2 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.3 | -29 | 172.2 | -25.2 | 35.2 | 0 | 0 | 0 | 114 | A213 I218 G219 | A213-P216 WeakPolarHBondContact O-CD 3.47Å; P216-I218 PolarHBondContact O-N 3.45Å; P216-G219 PolarHBondContact O-N 3.32Å |
| 217 | A | 92.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.2 | -20.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L214 V215 G219 F220 L221 F281 P749 | L214-A217 WeakPolarHBondContact O-CA 3.41Å; L214-A217 WeakPolarHBondContact O-CB 3.36Å; L214-A217 PolarHBondContact O-N 3.06Å; V215-A217 PolarHBondContact O-N 2.95Å; A217-G219 VanDerWaalsContact C-N 3.26Å; A217-G219 PolarHBondContact O-N 3.41Å; A217-F220 PolarHBondContact O-N 2.67Å; A217-L221 WeakPolarHBondContact O-CB 3.49Å; A217-L221 PolarHBondContact O-N 2.95Å; A217-F281 HydrophobicContact CB-CE1 4.05Å; A217-F281 HydrophobicContact CB-CZ 3.83Å; A217-P749 HydrophobicContact CB-CB 3.92Å; A217-P749 WeakPolarHBondContact O-CB 3.41Å |
| 218 | I | 91.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 172.5 | -59.7 | 174.4 | 0 | 0 | 0 | 110.8 | L214 V215 P216 L221 L222 F281 | L214-I218 PolarHBondContact O-N 3.41Å; V215-I218 VanDerWaalsContact O-CB 3.26Å; V215-I218 WeakPolarHBondContact O-CB 3.26Å; V215-I218 WeakPolarHBondContact O-CG1 3.06Å; V215-I218 PolarHBondContact O-N 2.95Å; P216-I218 PolarHBondContact O-N 3.45Å; I218-L221 HydrophobicContact CG2-CD2 4.48Å; I218-L221 WeakPolarHBondContact O-CB 3.46Å; I218-L221 PolarHBondContact O-N 3.32Å; I218-L222 HydrophobicContact CG2-CD1 4.49Å; I218-L222 WeakPolarHBondContact O-CG 3.4Å; I218-L222 PolarHBondContact O-N 3.46Å; I218-F281 HydrophobicContact CB-CZ 4.49Å; I218-F281 HydrophobicContact CG1-CE2 3.78Å; I218-F281 HydrophobicContact CG1-CZ 3.68Å |
| 219 | G | 92.8 | Very high | 92.1 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P216 A217 L222 L223 | P216-G219 PolarHBondContact O-N 3.32Å; A217-G219 VanDerWaalsContact C-N 3.26Å; A217-G219 PolarHBondContact O-N 3.41Å; G219-L222 PolarHBondContact O-N 3.27Å; G219-L223 WeakPolarHBondContact O-CB 3.31Å; G219-L223 PolarHBondContact O-N 3.12Å |
| 220 | F | 94.1 | Very high | 92.2 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 43% | 0.425 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.7 | -38.7 | 174.4 | -71 | -74.6 | 0 | 0 | 0 | 112.3 | A217 L223 F224 P749 F752 | A217-F220 PolarHBondContact O-N 2.67Å; F220-L223 PolarHBondContact O-N 2.77Å; F220-F224 HydrophobicContact CD1-CZ 4.47Å; F220-F224 WeakPolarHBondContact O-CB 3.47Å; F220-F224 VanDerWaalsContact O-CG 3.26Å; F220-F224 WeakPolarHBondContact O-CG 3.16Å; F220-F224 PolarHBondContact O-N 3.13Å; F220-P749 HydrophobicContact CB-CB 3.88Å; F220-P749 HydrophobicContact CB-CG 3.89Å; F220-F752 HydrophobicContact CB-CE2 4.1Å; F220-F752 HydrophobicContact CD1-CE2 4.01Å; F220-F752 HydrophobicContact CD2-CD2 4.03Å; F220-F752 HydrophobicContact CD2-CE2 4.16Å; F220-F752 HydrophobicContact CE1-CE2 4.48Å; F220-F752 HydrophobicContact CE2-CD2 4.37Å; F220-F752 HydrophobicContact CG-CD2 4.17Å; F220-F752 AromaticContact CG-CE2 3.83Å; F220-F752 HydrophobicContact CG-CE2 3.83Å |
| 221 | L | 94.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.3 | -52.3 | 172.6 | 162.8 | 72.3 | 0 | 0 | 0 | 110.3 | A217 I218 L223 F224 M225 F281 M284 G746 P749 | A217-L221 WeakPolarHBondContact O-CB 3.49Å; A217-L221 PolarHBondContact O-N 2.95Å; I218-L221 HydrophobicContact CG2-CD2 4.48Å; I218-L221 WeakPolarHBondContact O-CB 3.46Å; I218-L221 PolarHBondContact O-N 3.32Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 3.42Å; L221-F224 PolarHBondContact O-N 3.5Å; L221-M225 HydrophobicContact CD1-CG 3.86Å; L221-M225 WeakPolarHBondContact O-CB 3.15Å; L221-M225 WeakPolarHBondContact O-CG 3.47Å; L221-M225 PolarHBondContact O-N 3.46Å; L221-F281 HydrophobicContact CB-CD1 3.92Å; L221-F281 HydrophobicContact CB-CE1 3.78Å; L221-F281 HydrophobicContact CD1-CD1 4.09Å; L221-F281 HydrophobicContact CD2-CB 4.4Å; L221-F281 HydrophobicContact CD2-CD1 3.71Å; L221-F281 HydrophobicContact CD2-CE1 4.06Å; L221-F281 HydrophobicContact CD2-CG 4.01Å; L221-F281 HydrophobicContact CG-CD1 4.07Å; L221-F281 HydrophobicContact CG-CE1 4.37Å; L221-M284 HydrophobicContact CB-CE 4.48Å; L221-M284 HydrophobicContact CD1-CE 3.47Å; L221-M284 VanDerWaalsContact CD1-CE 3.47Å; L221-M284 HydrophobicContact CD2-CE 3.63Å; L221-M284 HydrophobicContact CG-CE 3.22Å; L221-G746 WeakPolarHBondContact CD1-O 3.34Å; L221-P749 HydrophobicContact CB-CG 4.18Å |
| 222 | L | 93.8 | Very high | 92.1 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 38% | 0.382 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 177.6 | -70.3 | 171.6 | 0 | 0 | 0 | 111.8 | I218 G219 L226 V255 M284 | I218-L222 HydrophobicContact CG2-CD1 4.49Å; I218-L222 WeakPolarHBondContact O-CG 3.4Å; I218-L222 PolarHBondContact O-N 3.46Å; G219-L222 PolarHBondContact O-N 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.42Å; L222-L226 PolarHBondContact O-N 3.04Å; L222-V255 HydrophobicContact CD2-CG2 3.54Å; L222-M284 HydrophobicContact CD2-CE 3.9Å; L222-M284 HydrophobicContact CD2-SD 4.01Å |
| 223 | L | 94.7 | Very high | 91.9 | Very high | 107 Ų | 107 | 44.8 Ų | 44.8 | 56% | 0.56 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.7 | -47.4 | 178 | 179.8 | 67.7 | 0 | 0 | 0 | 112.1 | G219 F220 L221 G227 | G219-L223 WeakPolarHBondContact O-CB 3.31Å; G219-L223 PolarHBondContact O-N 3.12Å; F220-L223 PolarHBondContact O-N 2.77Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 3.42Å; L223-G227 WeakPolarHBondContact O-CA 3.42Å; L223-G227 PolarHBondContact O-N 3.13Å |
| 224 | F | 94.6 | Very high | 91.6 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 25% | 0.25 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.6 | -44.8 | -178 | -68.9 | -8.2 | 0 | 0 | 0 | 111.5 | F220 L221 G227 F228 L748 P749 F752 | F220-F224 HydrophobicContact CD1-CZ 4.47Å; F220-F224 WeakPolarHBondContact O-CB 3.47Å; F220-F224 VanDerWaalsContact O-CG 3.26Å; F220-F224 WeakPolarHBondContact O-CG 3.16Å; F220-F224 PolarHBondContact O-N 3.13Å; L221-F224 PolarHBondContact O-N 3.5Å; F224-G227 PolarHBondContact O-N 3.03Å; F224-F228 WeakPolarHBondContact O-CB 3.41Å; F224-F228 PolarHBondContact O-N 2.94Å; F224-L748 HydrophobicContact CD2-CD2 4.42Å; F224-L748 HydrophobicContact CE2-CD2 4.01Å; F224-L748 HydrophobicContact CE2-CG 4.35Å; F224-P749 HydrophobicContact CD2-CG 3.74Å; F224-P749 HydrophobicContact CE2-CG 3.91Å; F224-F752 HydrophobicContact CE2-CE2 4.18Å; F224-F752 AromaticContact CE2-CZ 3.93Å; F224-F752 HydrophobicContact CE2-CZ 3.93Å; F224-F752 HydrophobicContact CZ-CE2 4.16Å; F224-F752 AromaticContact CZ-CZ 3.92Å; F224-F752 HydrophobicContact CZ-CZ 3.92Å |
| 225 | M | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.9 | -46 | -179.6 | -62.7 | -58.5 | -78.1 | 0 | 0 | 111.4 | L221 F228 T229 M284 I288 A742 L745 | L221-M225 HydrophobicContact CD1-CG 3.86Å; L221-M225 WeakPolarHBondContact O-CB 3.15Å; L221-M225 WeakPolarHBondContact O-CG 3.47Å; L221-M225 PolarHBondContact O-N 3.46Å; M225-F228 PolarHBondContact O-N 3.5Å; M225-T229 WeakPolarHBondContact O-CG2 3.29Å; M225-T229 PolarHBondContact O-N 3.31Å; M225-T229 PolarHBondContact O-OG1 2.66Å; M225-T229 VanDerWaalsContact O-OG1 3.06Å; M225-M284 HydrophobicContact CB-CE 3.92Å; M225-M284 HydrophobicContact CG-CE 3.71Å; M225-I288 HydrophobicContact CB-CD1 4.31Å; M225-I288 HydrophobicContact CE-CB 4.24Å; M225-I288 HydrophobicContact CE-CD1 3.5Å; M225-I288 HydrophobicContact CE-CG1 4.49Å; M225-I288 HydrophobicContact CE-CG2 3.64Å; M225-A742 HydrophobicContact CE-CB 3.78Å; M225-A742 HydrophobicContact SD-CB 4.47Å; M225-L745 HydrophobicContact SD-CB 4.3Å |
| 226 | L | 94 | Very high | 89.7 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.1 | -175.4 | 66.4 | 0 | 0 | 0 | 111.7 | L222 T229 I230 A248 C251 | L222-L226 WeakPolarHBondContact O-CB 3.42Å; L222-L226 PolarHBondContact O-N 3.04Å; L226-T229 PolarHBondContact O-OG1 3.17Å; L226-I230 HydrophobicContact CD1-CD1 3.84Å; L226-I230 HydrophobicContact CD1-CG1 4.31Å; L226-I230 HydrophobicContact CG-CD1 3.8Å; L226-I230 VanDerWaalsContact O-CB 3.29Å; L226-I230 WeakPolarHBondContact O-CB 3.23Å; L226-I230 WeakPolarHBondContact O-CD1 3.47Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 3.43Å; L226-A248 HydrophobicContact CD1-CB 3.68Å; L226-C251 HydrophobicContact CD1-CB 4.49Å |
| 227 | G | 93.6 | Very high | 88.3 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L223 F224 C231 | L223-G227 WeakPolarHBondContact O-CA 3.42Å; L223-G227 PolarHBondContact O-N 3.13Å; F224-G227 PolarHBondContact O-N 3.03Å; G227-C231 WeakPolarHBondContact O-CB 3.48Å; G227-C231 PolarHBondContact O-N 3.06Å; G227-C231 PolarHBondContact O-SG 3Å |
| 228 | F | 94 | Very high | 87.3 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 179.8 | -180 | -108 | 0 | 0 | 0 | 113 | F224 M225 I230 C231 S232 F292 Q738 I741 A742 L745 | F224-F228 WeakPolarHBondContact O-CB 3.41Å; F224-F228 PolarHBondContact O-N 2.94Å; M225-F228 PolarHBondContact O-N 3.5Å; F228-I230 VanDerWaalsContact C-N 3.34Å; F228-I230 PolarHBondContact O-N 3.2Å; F228-C231 PolarHBondContact O-N 3.43Å; F228-S232 WeakPolarHBondContact O-CB 3.24Å; F228-S232 PolarHBondContact O-N 3.09Å; F228-S232 PolarHBondContact O-OG 3.32Å; F228-F292 AromaticContact CD1-CZ 3.95Å; F228-F292 HydrophobicContact CD1-CZ 3.95Å; F228-F292 HydrophobicContact CE1-CE1 4.46Å; F228-F292 HydrophobicContact CE1-CE2 4.17Å; F228-F292 AromaticContact CE1-CZ 3.65Å; F228-F292 HydrophobicContact CE1-CZ 3.65Å; F228-Q738 WeakPolarHBondContact CE1-O 3.35Å; F228-I741 HydrophobicContact CD2-CG2 4.15Å; F228-I741 HydrophobicContact CE1-CB 4.46Å; F228-I741 HydrophobicContact CE1-CG2 4.31Å; F228-I741 HydrophobicContact CE2-CB 4.19Å; F228-I741 HydrophobicContact CE2-CG2 3.45Å; F228-I741 VanDerWaalsContact CE2-CG2 3.45Å; F228-I741 HydrophobicContact CZ-CB 3.78Å; F228-I741 HydrophobicContact CZ-CG2 3.55Å; F228-A742 HydrophobicContact CD1-CB 4.02Å; F228-A742 HydrophobicContact CE1-CB 3.87Å; F228-L745 HydrophobicContact CB-CD1 3.72Å; F228-L745 HydrophobicContact CD1-CD1 4.28Å; F228-L745 HydrophobicContact CD2-CD1 3.55Å; F228-L745 HydrophobicContact CE2-CD1 4.24Å; F228-L745 HydrophobicContact CG-CD1 3.57Å |
| 229 | T | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 179.2 | 53 | 0 | 0 | 0 | 0 | 112.5 | M225 L226 S232 N233 G247 C251 I288 F292 | M225-T229 WeakPolarHBondContact O-CG2 3.29Å; M225-T229 PolarHBondContact O-N 3.31Å; M225-T229 PolarHBondContact O-OG1 2.66Å; M225-T229 VanDerWaalsContact O-OG1 3.06Å; L226-T229 PolarHBondContact O-OG1 3.17Å; T229-S232 PolarHBondContact O-OG 2.86Å; T229-N233 WeakPolarHBondContact O-CB 3.33Å; T229-N233 PolarHBondContact O-N 2.91Å; T229-N233 PolarHBondContact O-ND2 3.45Å; T229-G247 PolarHBondContact OG1-O 3.4Å; T229-C251 PolarHBondContact OG1-SG 3.21Å; T229-I288 HydrophobicContact CG2-CD1 3.23Å; T229-I288 HydrophobicContact CG2-CG1 3.86Å; T229-F292 HydrophobicContact CG2-CE1 4.08Å; T229-F292 HydrophobicContact CG2-CZ 3.82Å |
| 230 | I | 91.3 | Very high | 85 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.1 | -56.9 | 173.4 | -71.2 | 173.4 | 0 | 0 | 0 | 109.3 | L226 F228 S232 N233 I234 R244 A248 | L226-I230 HydrophobicContact CD1-CD1 3.84Å; L226-I230 HydrophobicContact CD1-CG1 4.31Å; L226-I230 HydrophobicContact CG-CD1 3.8Å; L226-I230 VanDerWaalsContact O-CB 3.29Å; L226-I230 WeakPolarHBondContact O-CB 3.23Å; L226-I230 WeakPolarHBondContact O-CD1 3.47Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 3.43Å; F228-I230 VanDerWaalsContact C-N 3.34Å; F228-I230 PolarHBondContact O-N 3.2Å; I230-S232 PolarHBondContact O-N 3.32Å; I230-N233 PolarHBondContact O-N 3.23Å; I230-I234 HydrophobicContact CG2-CD1 4.17Å; I230-I234 WeakPolarHBondContact O-CG1 3.39Å; I230-I234 PolarHBondContact O-N 2.94Å; I230-R244 HydrophobicContact CG2-CB 4.19Å; I230-A248 HydrophobicContact CD1-CB 4.45Å; I230-A248 HydrophobicContact CG1-CB 4.29Å |
| 231 | C | 89.7 | Confident | 84 | Confident | 87 Ų | 87 | 51.3 Ų | 51.3 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | -174.7 | -73.9 | 0 | 0 | 0 | 0 | 113.1 | G227 F228 N233 I234 | G227-C231 WeakPolarHBondContact O-CB 3.48Å; G227-C231 PolarHBondContact O-N 3.06Å; G227-C231 PolarHBondContact O-SG 3Å; F228-C231 PolarHBondContact O-N 3.43Å; C231-N233 PolarHBondContact O-N 3.35Å; C231-I234 PolarHBondContact O-N 3.29Å |
| 232 | S | 86.8 | Confident | 83.5 | Confident | 29 Ų | 29 | 52 Ų | 52 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.7 | -19.3 | -178.7 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | F228 T229 I230 Q738 | F228-S232 WeakPolarHBondContact O-CB 3.24Å; F228-S232 PolarHBondContact O-N 3.09Å; F228-S232 PolarHBondContact O-OG 3.32Å; T229-S232 PolarHBondContact O-OG 2.86Å; I230-S232 PolarHBondContact O-N 3.32Å; S232-Q738 PolarHBondContact OG-NE2 3.2Å |
| 233 | N | 85.1 | Confident | 83.3 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -106.3 | 3.3 | -179.3 | -75 | -65.9 | 0 | 0 | 0 | 114.9 | T229 I230 C231 K243 K299 | T229-N233 WeakPolarHBondContact O-CB 3.33Å; T229-N233 PolarHBondContact O-N 2.91Å; T229-N233 PolarHBondContact O-ND2 3.45Å; I230-N233 PolarHBondContact O-N 3.23Å; C231-N233 PolarHBondContact O-N 3.35Å; N233-K243 HydrophobicContact CB-CB 4.01Å; N233-K243 WeakPolarHBondContact CB-O 3.26Å; N233-K243 PolarHBondContact O-N 2.94Å; N233-K299 PolarHBondContact OD1-NZ 2.86Å |
| 234 | I | 83.6 | Confident | 83 | Confident | 63 Ų | 63 | 45.7 Ų | 45.7 | 32% | 0.323 | 26% | 0.262 | S | S | . | . | trans | -71.9 | 128.4 | 172.8 | -73.1 | 165.6 | 0 | 0 | 0 | 109.9 | I230 C231 I236 R244 | I230-I234 HydrophobicContact CG2-CD1 4.17Å; I230-I234 WeakPolarHBondContact O-CG1 3.39Å; I230-I234 PolarHBondContact O-N 2.94Å; C231-I234 PolarHBondContact O-N 3.29Å; I234-I236 HydrophobicContact CG2-CG1 3.92Å; I234-R244 HydrophobicContact CG1-CB 4.19Å | ||
| 235 | S | 74 | Confident | 82.8 | Confident | 18 Ų | 18 | 51 Ų | 51 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | trans | -106.9 | 103.3 | 172.9 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | G237 K238 | S235-G237 VanDerWaalsContact C-N 3.3Å; S235-G237 PolarHBondContact O-N 2.84Å; S235-K238 WeakPolarHBondContact CB-O 3.26Å; S235-K238 PolarHBondContact OG-N 3.27Å; S235-K238 PolarHBondContact OG-O 3.36Å | ||
| 236 | I | 65.5 | Low | 82.8 | Confident | 152 Ų | 152 | 51 Ų | 51 | 78% | 0.779 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -72.6 | -19.4 | -174.6 | -60 | 176.5 | 0 | 0 | 0 | 112.7 | I234 | I234-I236 HydrophobicContact CG2-CG1 3.92Š|
| 237 | G | 62.8 | Low | 82.7 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -108.2 | -15.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116 | S235 | S235-G237 VanDerWaalsContact C-N 3.3Å; S235-G237 PolarHBondContact O-N 2.84Å |
| 238 | K | 70.5 | Confident | 82.7 | Confident | 120 Ų | 120 | 46.8 Ų | 46.8 | 52% | 0.522 | 25% | 0.253 | S | S | . | . | trans | -144 | 99.3 | -176.5 | -69.6 | -176 | -179.2 | -179.3 | 0 | 109.7 | S235 A240 M241 | S235-K238 WeakPolarHBondContact CB-O 3.26Å; S235-K238 PolarHBondContact OG-N 3.27Å; S235-K238 PolarHBondContact OG-O 3.36Å; K238-A240 PolarHBondContact O-N 3.27Å; K238-M241 HydrophobicContact CB-CB 4.15Å; K238-M241 HydrophobicContact CB-CG 4.02Å; K238-M241 HydrophobicContact CB-SD 4.38Å; K238-M241 HydrophobicContact CD-CG 4.28Å; K238-M241 HydrophobicContact CD-SD 3.75Å; K238-M241 PolarHBondContact O-N 3.42Å | ||
| 239 | P | 68.6 | Low | 82.7 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 31% | 0.312 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -56 | -32.8 | 179.2 | -27.1 | 34.8 | 0 | 0 | 0 | 113.7 | M241 D242 | P239-M241 PolarHBondContact O-N 3.04Å; P239-D242 VanDerWaalsContact O-CB 3.23Å; P239-D242 WeakPolarHBondContact O-CB 3.46Å; P239-D242 PolarHBondContact O-N 2.92Å; P239-D242 VanDerWaalsContact O-N 3.15Å |
| 240 | A | 67.8 | Low | 82.8 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -64.7 | -24.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K238 E377 | K238-A240 PolarHBondContact O-N 3.27Å; A240-E377 WeakPolarHBondContact O-CG 3.5Å |
| 241 | M | 73.5 | Confident | 82.9 | Confident | 48 Ų | 48 | 43.8 Ų | 43.8 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -93.6 | 2.2 | 176.8 | -62.5 | -168 | 76.6 | 0 | 0 | 113.2 | K238 P239 K243 | K238-M241 HydrophobicContact CB-CB 4.15Å; K238-M241 HydrophobicContact CB-CG 4.02Å; K238-M241 HydrophobicContact CB-SD 4.38Å; K238-M241 HydrophobicContact CD-CG 4.28Å; K238-M241 HydrophobicContact CD-SD 3.75Å; K238-M241 PolarHBondContact O-N 3.42Å; P239-M241 PolarHBondContact O-N 3.04Å; M241-K243 PolarHBondContact O-N 3.42Å |
| 242 | D | 84 | Confident | 83.2 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | -73.2 | 123.5 | 177.9 | -176.7 | 5.8 | 0 | 0 | 0 | 110.7 | P239 R244 K380 | P239-D242 VanDerWaalsContact O-CB 3.23Å; P239-D242 WeakPolarHBondContact O-CB 3.46Å; P239-D242 PolarHBondContact O-N 2.92Å; P239-D242 VanDerWaalsContact O-N 3.15Å; D242-R244 PolarHBondContact OD1-N 3.41Å; D242-R244 IonicContact OD1-NE 3.38Å; D242-R244 PolarHBondContact OD1-NE 2.96Å; D242-R244 IonicContact OD1-NH2 2.9Å; D242-R244 IonicContact OD2-CZ 3.62Å; D242-R244 IonicContact OD2-NE 2.76Å; D242-R244 PolarHBondContact OD2-NE 3.03Å; D242-R244 IonicContact OD2-NH2 3.96Å; D242-R244 PolarHBondContact OD2-NH2 3.04Å; D242-K380 PolarHBondContact O-NZ 3.13Å | ||
| 243 | K | 88.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | trans | -123.5 | 23.1 | -172.5 | -66.8 | -60.7 | -170 | 169.8 | 0 | 113.5 | N233 M241 W245 E246 G247 I295 W298 K299 E377 | N233-K243 HydrophobicContact CB-CB 4.01Å; N233-K243 WeakPolarHBondContact CB-O 3.26Å; N233-K243 PolarHBondContact O-N 2.94Å; M241-K243 PolarHBondContact O-N 3.42Å; K243-W245 VanDerWaalsContact C-N 3.35Å; K243-W245 PolarHBondContact O-N 2.92Å; K243-E246 VanDerWaalsContact C-OE2 3.31Å; K243-E246 VanDerWaalsContact CA-OE2 3.25Å; K243-E246 WeakPolarHBondContact CA-OE2 3.37Å; K243-E246 HydrophobicContact CB-CB 4.42Å; K243-E246 HydrophobicContact CD-CB 4.4Å; K243-E246 HydrophobicContact CD-CG 3.88Å; K243-E246 WeakPolarHBondContact CD-OE1 3.28Å; K243-E246 IonicContact NZ-OE1 3.12Å; K243-E246 PolarHBondContact NZ-OE1 3.24Å; K243-E246 PolarHBondContact O-N 3.32Å; K243-G247 PolarHBondContact O-N 3.42Å; K243-I295 HydrophobicContact CB-CG2 3.95Å; K243-I295 HydrophobicContact CG-CG2 4.04Å; K243-W298 VanDerWaalsContact NZ-CD1 3.28Å; K243-K299 HydrophobicContact CG-CG 4.47Å; K243-E377 WeakPolarHBondContact CE-OE1 3.3Å; K243-E377 IonicContact NZ-OE1 2.72Å; K243-E377 PolarHBondContact NZ-OE1 2.94Å | ||
| 244 | R | 89.8 | Confident | 84.1 | Confident | 45 Ų | 45 | 42.4 Ų | 42.4 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -38.3 | -176.4 | 72.7 | -179.3 | 83 | -170.4 | 6.8 | 114.2 | I230 I234 D242 G247 A248 | I230-R244 HydrophobicContact CG2-CB 4.19Å; I234-R244 HydrophobicContact CG1-CB 4.19Å; D242-R244 PolarHBondContact OD1-N 3.41Å; D242-R244 IonicContact OD1-NE 3.38Å; D242-R244 PolarHBondContact OD1-NE 2.96Å; D242-R244 IonicContact OD1-NH2 2.9Å; D242-R244 IonicContact OD2-CZ 3.62Å; D242-R244 IonicContact OD2-NE 2.76Å; D242-R244 PolarHBondContact OD2-NE 3.03Å; D242-R244 IonicContact OD2-NH2 3.96Å; D242-R244 PolarHBondContact OD2-NH2 3.04Å; R244-G247 PolarHBondContact O-N 3.15Å; R244-A248 PolarHBondContact O-N 3.49Å |
| 245 | W | 90.4 | Very high | 84.6 | Confident | 167 Ų | 167 | 41 Ų | 41 | 63% | 0.633 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -80.1 | -32 | -177.3 | -68.8 | 114.7 | 0 | 0 | 0 | 111.5 | K243 A248 A249 L373 | K243-W245 VanDerWaalsContact C-N 3.35Å; K243-W245 PolarHBondContact O-N 2.92Å; W245-A248 PolarHBondContact O-N 3.49Å; W245-A249 WeakPolarHBondContact O-CB 3.14Å; W245-A249 PolarHBondContact O-N 2.86Å; W245-L373 HydrophobicContact CB-CD1 3.75Å |
| 246 | E | 92.7 | Very high | 85.6 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 166 | -63.5 | 85.1 | 152.6 | 0 | 0 | 109.5 | K243 A248 A249 G250 I295 F366 V370 L373 K380 | K243-E246 VanDerWaalsContact C-OE2 3.31Å; K243-E246 VanDerWaalsContact CA-OE2 3.25Å; K243-E246 WeakPolarHBondContact CA-OE2 3.37Å; K243-E246 HydrophobicContact CB-CB 4.42Å; K243-E246 HydrophobicContact CD-CB 4.4Å; K243-E246 HydrophobicContact CD-CG 3.88Å; K243-E246 WeakPolarHBondContact CD-OE1 3.28Å; K243-E246 IonicContact NZ-OE1 3.12Å; K243-E246 PolarHBondContact NZ-OE1 3.24Å; K243-E246 PolarHBondContact O-N 3.32Å; E246-A248 VanDerWaalsContact C-N 3.34Å; E246-A248 PolarHBondContact O-N 2.65Å; E246-A249 WeakPolarHBondContact O-CB 3.36Å; E246-A249 PolarHBondContact O-N 3.34Å; E246-A249 VanDerWaalsContact O-N 3.09Å; E246-G250 PolarHBondContact O-N 2.99Å; E246-I295 HydrophobicContact CB-CD1 4.02Å; E246-I295 HydrophobicContact CB-CG1 4.23Å; E246-F366 VanDerWaalsContact O-CE2 3.29Å; E246-F366 WeakPolarHBondContact O-CE2 3.48Å; E246-V370 HydrophobicContact CG-CG2 4.44Å; E246-L373 HydrophobicContact CB-CD1 4.49Å; E246-L373 HydrophobicContact CG-CB 4.08Å; E246-L373 HydrophobicContact CG-CD1 3.77Å; E246-L373 WeakPolarHBondContact OE1-CB 3.42Å; E246-K380 IonicContact OE1-NZ 2.99Å |
| 247 | G | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.4 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T229 K243 R244 G250 C251 | T229-G247 PolarHBondContact OG1-O 3.4Å; K243-G247 PolarHBondContact O-N 3.42Å; R244-G247 PolarHBondContact O-N 3.15Å; G247-G250 PolarHBondContact O-N 3.39Å; G247-C251 PolarHBondContact O-N 3.34Å |
| 248 | A | 93.7 | Very high | 88.6 | Confident | 17 Ų | 17 | 32.7 Ų | 32.7 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L226 I230 R244 W245 E246 G250 C251 L252 | L226-A248 HydrophobicContact CD1-CB 3.68Å; I230-A248 HydrophobicContact CD1-CB 4.45Å; I230-A248 HydrophobicContact CG1-CB 4.29Å; R244-A248 PolarHBondContact O-N 3.49Å; W245-A248 PolarHBondContact O-N 3.49Å; E246-A248 VanDerWaalsContact C-N 3.34Å; E246-A248 PolarHBondContact O-N 2.65Å; A248-G250 VanDerWaalsContact C-N 3.32Å; A248-C251 PolarHBondContact O-N 2.98Å; A248-L252 PolarHBondContact O-N 3.37Å; A248-L252 VanDerWaalsContact O-N 3.13Å |
| 249 | A | 94.4 | Very high | 89.8 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W245 E246 L252 S253 F366 V369 | W245-A249 WeakPolarHBondContact O-CB 3.14Å; W245-A249 PolarHBondContact O-N 2.86Å; E246-A249 WeakPolarHBondContact O-CB 3.36Å; E246-A249 PolarHBondContact O-N 3.34Å; E246-A249 VanDerWaalsContact O-N 3.09Å; A249-L252 PolarHBondContact O-N 3.01Å; A249-S253 PolarHBondContact O-N 3.33Å; A249-F366 HydrophobicContact CB-CD2 4.33Å; A249-F366 HydrophobicContact CB-CE2 4.45Å; A249-V369 HydrophobicContact CB-CB 4.28Å; A249-V369 HydrophobicContact CB-CG1 3.54Å |
| 250 | G | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E246 G247 A248 L252 S253 S254 T291 | E246-G250 PolarHBondContact O-N 2.99Å; G247-G250 PolarHBondContact O-N 3.39Å; A248-G250 VanDerWaalsContact C-N 3.32Å; G250-L252 VanDerWaalsContact C-N 3.28Å; G250-L252 PolarHBondContact O-N 3.24Å; G250-S253 VanDerWaalsContact O-CB 3.3Å; G250-S253 WeakPolarHBondContact O-CB 3.03Å; G250-S253 PolarHBondContact O-N 3.41Å; G250-S253 VanDerWaalsContact O-N 3.12Å; G250-S254 PolarHBondContact O-N 3.03Å; G250-S254 VanDerWaalsContact O-N 3.16Å; G250-T291 WeakPolarHBondContact CA-OG1 3.29Å |
| 251 | C | 94.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.2 | -43.5 | 173.6 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | L226 T229 G247 A248 S253 S254 V255 | L226-C251 HydrophobicContact CD1-CB 4.49Å; T229-C251 PolarHBondContact OG1-SG 3.21Å; G247-C251 PolarHBondContact O-N 3.34Å; A248-C251 PolarHBondContact O-N 2.98Å; C251-S253 VanDerWaalsContact C-N 3.33Å; C251-S253 PolarHBondContact O-N 2.92Å; C251-S254 PolarHBondContact O-N 3.4Å; C251-V255 WeakPolarHBondContact O-CG2 3.1Å; C251-V255 PolarHBondContact O-N 2.88Å |
| 252 | L | 94.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 26.4 Ų | 26.4 | 47% | 0.471 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.9 | -179.9 | 59.8 | 0 | 0 | 0 | 111.8 | A248 A249 G250 V255 M256 F365 | A248-L252 PolarHBondContact O-N 3.37Å; A248-L252 VanDerWaalsContact O-N 3.13Å; A249-L252 PolarHBondContact O-N 3.01Å; G250-L252 VanDerWaalsContact C-N 3.28Å; G250-L252 PolarHBondContact O-N 3.24Å; L252-V255 PolarHBondContact O-N 3.31Å; L252-M256 HydrophobicContact CD1-CG 4.4Å; L252-M256 HydrophobicContact CD1-SD 4.48Å; L252-M256 HydrophobicContact CG-SD 4.11Å; L252-M256 VanDerWaalsContact O-CG 3.28Å; L252-M256 WeakPolarHBondContact O-CG 3.47Å; L252-M256 PolarHBondContact O-N 2.96Å; L252-F365 HydrophobicContact CD2-CE1 4.43Å; L252-F365 HydrophobicContact CD2-CZ 3.89Å; L252-F365 HydrophobicContact CG-CE1 4.42Å; L252-F365 HydrophobicContact CG-CZ 4.28Å |
| 253 | S | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.4 | -50.2 | 175.7 | -168.3 | 0 | 0 | 0 | 0 | 111.5 | A249 G250 C251 V255 M256 A257 Y361 | A249-S253 PolarHBondContact O-N 3.33Å; G250-S253 VanDerWaalsContact O-CB 3.3Å; G250-S253 WeakPolarHBondContact O-CB 3.03Å; G250-S253 PolarHBondContact O-N 3.41Å; G250-S253 VanDerWaalsContact O-N 3.12Å; C251-S253 VanDerWaalsContact C-N 3.33Å; C251-S253 PolarHBondContact O-N 2.92Å; S253-V255 PolarHBondContact O-N 3.3Å; S253-M256 WeakPolarHBondContact O-CB 3.46Å; S253-M256 PolarHBondContact O-N 3.43Å; S253-A257 PolarHBondContact O-N 2.88Å; S253-Y361 WeakPolarHBondContact OG-CB 3.43Å |
| 254 | S | 94.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.9 | -34.9 | -180 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | G250 C251 A257 I258 D358 | G250-S254 PolarHBondContact O-N 3.03Å; G250-S254 VanDerWaalsContact O-N 3.16Å; C251-S254 PolarHBondContact O-N 3.4Å; S254-A257 PolarHBondContact O-N 3Å; S254-I258 WeakPolarHBondContact O-CG1 3.24Å; S254-I258 PolarHBondContact O-N 3.5Å; S254-I258 VanDerWaalsContact O-N 3.07Å; S254-D358 VanDerWaalsContact CA-OD1 3.31Å; S254-D358 WeakPolarHBondContact CA-OD1 3.32Å; S254-D358 WeakPolarHBondContact CB-OD1 3.33Å; S254-D358 PolarHBondContact OG-OD1 3.44Å |
| 255 | V | 95 | Very high | 94.5 | Very high | 33 Ų | 33 | 25.7 Ų | 25.7 | 20% | 0.2 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 172.1 | 171 | 0 | 0 | 0 | 0 | 111 | L222 C251 L252 S253 A257 I258 F259 M284 | L222-V255 HydrophobicContact CD2-CG2 3.54Å; C251-V255 WeakPolarHBondContact O-CG2 3.1Å; C251-V255 PolarHBondContact O-N 2.88Å; L252-V255 PolarHBondContact O-N 3.31Å; S253-V255 PolarHBondContact O-N 3.3Å; V255-A257 VanDerWaalsContact C-N 3.28Å; V255-A257 PolarHBondContact O-N 3.42Å; V255-I258 PolarHBondContact O-N 3.45Å; V255-F259 HydrophobicContact CG1-CD2 3.75Å; V255-F259 HydrophobicContact CG1-CE2 3.69Å; V255-F259 VanDerWaalsContact O-CD2 3.29Å; V255-F259 WeakPolarHBondContact O-CD2 3.36Å; V255-F259 PolarHBondContact O-N 2.97Å; V255-F259 VanDerWaalsContact O-N 3.11Å; V255-M284 HydrophobicContact CG2-SD 3.92Å |
| 256 | M | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.8 | -42.9 | 175.6 | -72.7 | 169.4 | 53.5 | 0 | 0 | 111.2 | P29 V30 T33 L252 S253 I258 F259 S260 Y361 F365 | P29-M256 HydrophobicContact CB-CE 3.99Å; V30-M256 HydrophobicContact CB-CE 4.4Å; V30-M256 HydrophobicContact CG2-CE 3.79Å; V30-M256 HydrophobicContact CG2-SD 4.29Å; T33-M256 HydrophobicContact CG2-CB 3.98Å; T33-M256 HydrophobicContact CG2-CG 4.14Å; T33-M256 WeakPolarHBondContact OG1-CE 3.41Å; L252-M256 HydrophobicContact CD1-CG 4.4Å; L252-M256 HydrophobicContact CD1-SD 4.48Å; L252-M256 HydrophobicContact CG-SD 4.11Å; L252-M256 VanDerWaalsContact O-CG 3.28Å; L252-M256 WeakPolarHBondContact O-CG 3.47Å; L252-M256 PolarHBondContact O-N 2.96Å; S253-M256 WeakPolarHBondContact O-CB 3.46Å; S253-M256 PolarHBondContact O-N 3.43Å; M256-I258 PolarHBondContact O-N 3.35Å; M256-F259 PolarHBondContact O-N 2.88Å; M256-S260 PolarHBondContact O-N 3.07Å; M256-S260 PolarHBondContact O-OG 3.28Å; M256-Y361 HydrophobicContact CB-CD2 3.83Å; M256-Y361 HydrophobicContact CB-CE2 3.79Å; M256-Y361 HydrophobicContact CE-CE2 4.48Å; M256-F365 HydrophobicContact CE-CD2 4.23Å; M256-F365 HydrophobicContact CE-CE2 4.49Å; M256-F365 HydrophobicContact CE-CG 4.43Å; M256-F365 HydrophobicContact SD-CD2 4.41Å; M256-F365 HydrophobicContact SD-CE1 4.31Å; M256-F365 HydrophobicContact SD-CE2 4.19Å; M256-F365 HydrophobicContact SD-CZ 4.14Å |
| 257 | A | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S253 S254 V255 S260 S261 F357 D358 Y361 | S253-A257 PolarHBondContact O-N 2.88Å; S254-A257 PolarHBondContact O-N 3Å; V255-A257 VanDerWaalsContact C-N 3.28Å; V255-A257 PolarHBondContact O-N 3.42Å; A257-S260 PolarHBondContact O-N 2.9Å; A257-S261 WeakPolarHBondContact O-CB 3.48Å; A257-S261 PolarHBondContact O-N 3.45Å; A257-F357 HydrophobicContact CB-CB 3.83Å; A257-D358 HydrophobicContact CB-CB 3.85Å; A257-Y361 HydrophobicContact CB-CD2 3.97Å; A257-Y361 HydrophobicContact CB-CE2 4.41Å |
| 258 | I | 94.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 176.3 | -66.9 | 161.4 | 0 | 0 | 0 | 110.9 | S254 V255 M256 S261 V262 P280 A283 M284 | S254-I258 WeakPolarHBondContact O-CG1 3.24Å; S254-I258 PolarHBondContact O-N 3.5Å; S254-I258 VanDerWaalsContact O-N 3.07Å; V255-I258 PolarHBondContact O-N 3.45Å; M256-I258 PolarHBondContact O-N 3.35Å; I258-S261 PolarHBondContact O-N 3.05Å; I258-V262 HydrophobicContact CG2-CG2 4.39Å; I258-V262 WeakPolarHBondContact O-CB 3.2Å; I258-V262 VanDerWaalsContact O-CG2 3.27Å; I258-V262 WeakPolarHBondContact O-CG2 3.38Å; I258-V262 PolarHBondContact O-N 3.46Å; I258-P280 HydrophobicContact CD1-CB 4.32Å; I258-P280 HydrophobicContact CG2-CB 4.32Å; I258-P280 HydrophobicContact CG2-CG 4.2Å; I258-A283 HydrophobicContact CD1-CB 4.03Å; I258-A283 HydrophobicContact CG1-CB 3.77Å; I258-M284 HydrophobicContact CD1-CB 4.11Å |
| 259 | F | 94.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 37.6 Ų | 37.6 | 44% | 0.443 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.1 | -84.8 | -75 | 0 | 0 | 0 | 112.3 | T33 L40 V255 M256 G263 | T33-F259 HydrophobicContact CG2-CB 4.23Å; L40-F259 HydrophobicContact CD1-CD1 4.46Å; V255-F259 HydrophobicContact CG1-CD2 3.75Å; V255-F259 HydrophobicContact CG1-CE2 3.69Å; V255-F259 VanDerWaalsContact O-CD2 3.29Å; V255-F259 WeakPolarHBondContact O-CD2 3.36Å; V255-F259 PolarHBondContact O-N 2.97Å; V255-F259 VanDerWaalsContact O-N 3.11Å; M256-F259 PolarHBondContact O-N 2.88Å; F259-G263 PolarHBondContact O-N 2.76Å |
| 260 | S | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.1 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | T33 M256 A257 L264 Y361 | T33-S260 WeakPolarHBondContact CA-OG 3.18Å; T33-S260 PolarHBondContact OG1-OG 2.86Å; M256-S260 PolarHBondContact O-N 3.07Å; M256-S260 PolarHBondContact O-OG 3.28Å; A257-S260 PolarHBondContact O-N 2.9Å; S260-L264 VanDerWaalsContact O-CB 3.24Å; S260-L264 WeakPolarHBondContact O-CB 3.3Å; S260-L264 PolarHBondContact O-N 3.11Å; S260-Y361 PolarHBondContact OG-OH 3.19Å |
| 261 | S | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -54.1 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | A257 I258 G263 L264 L265 Y350 A353 A354 | A257-S261 WeakPolarHBondContact O-CB 3.48Å; A257-S261 PolarHBondContact O-N 3.45Å; I258-S261 PolarHBondContact O-N 3.05Å; S261-G263 VanDerWaalsContact C-N 3.34Å; S261-G263 PolarHBondContact O-N 3.4Å; S261-L264 PolarHBondContact O-N 3.35Å; S261-L265 WeakPolarHBondContact O-CG 3.2Å; S261-L265 PolarHBondContact O-N 3.09Å; S261-Y350 PolarHBondContact OG-O 3.38Å; S261-A353 WeakPolarHBondContact OG-CB 3.38Å; S261-A354 PolarHBondContact OG-N 3.02Å |
| 262 | V | 94.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | -177.6 | 172.2 | 0 | 0 | 0 | 0 | 111 | L40 I258 L265 L266 L272 Y350 | L40-V262 HydrophobicContact CD2-CG1 4.1Å; I258-V262 HydrophobicContact CG2-CG2 4.39Å; I258-V262 WeakPolarHBondContact O-CB 3.2Å; I258-V262 VanDerWaalsContact O-CG2 3.27Å; I258-V262 WeakPolarHBondContact O-CG2 3.38Å; I258-V262 PolarHBondContact O-N 3.46Å; V262-L265 PolarHBondContact O-N 3.32Å; V262-L266 HydrophobicContact CG1-CD1 3.83Å; V262-L266 HydrophobicContact CG1-CG 4.45Å; V262-L266 WeakPolarHBondContact O-CB 3.31Å; V262-L266 VanDerWaalsContact O-CG 3.3Å; V262-L266 WeakPolarHBondContact O-CG 3.25Å; V262-L266 PolarHBondContact O-N 2.73Å; V262-L272 HydrophobicContact CG1-CD2 4.47Å; V262-Y350 HydrophobicContact CB-CE1 4.37Å; V262-Y350 HydrophobicContact CG1-CE1 4.4Å; V262-Y350 HydrophobicContact CG2-CD1 4.14Å; V262-Y350 HydrophobicContact CG2-CE1 4.2Å |
| 263 | G | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | F36 G39 F259 S261 Y267 | F36-G263 CarbonylContact O-C 3.59Å; F36-G263 WeakPolarHBondContact O-CA 3.4Å; G39-G263 WeakPolarHBondContact CA-O 3.28Å; F259-G263 PolarHBondContact O-N 2.76Å; S261-G263 VanDerWaalsContact C-N 3.34Å; S261-G263 PolarHBondContact O-N 3.4Å; G263-Y267 WeakPolarHBondContact O-CB 3.47Å; G263-Y267 PolarHBondContact O-N 3.32Å |
| 264 | L | 95.3 | Very high | 93.3 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.4 | 179.2 | 68.1 | 0 | 0 | 0 | 112 | F36 S260 S261 Y267 F268 F357 | F36-L264 HydrophobicContact CD1-CB 4.15Å; F36-L264 HydrophobicContact CD1-CD1 3.8Å; F36-L264 HydrophobicContact CE1-CD1 3.5Å; F36-L264 HydrophobicContact CZ-CD1 4.25Å; S260-L264 VanDerWaalsContact O-CB 3.24Å; S260-L264 WeakPolarHBondContact O-CB 3.3Å; S260-L264 PolarHBondContact O-N 3.11Å; S261-L264 PolarHBondContact O-N 3.35Å; L264-Y267 WeakPolarHBondContact O-CB 3.42Å; L264-Y267 PolarHBondContact O-N 2.87Å; L264-F268 HydrophobicContact CD1-CD2 4.18Å; L264-F268 HydrophobicContact CD1-CE2 3.59Å; L264-F268 HydrophobicContact CD1-CZ 4.46Å; L264-F268 HydrophobicContact CG-CD2 4.19Å; L264-F268 HydrophobicContact CG-CE2 3.95Å; L264-F268 VanDerWaalsContact O-CD2 3.26Å; L264-F268 WeakPolarHBondContact O-CD2 3.42Å; L264-F268 PolarHBondContact O-N 3.06Å; L264-F357 HydrophobicContact CB-CE2 4.26Å; L264-F357 HydrophobicContact CD2-CE2 3.81Å; L264-F357 HydrophobicContact CD2-CZ 3.99Å |
| 265 | L | 95.2 | Very high | 92.8 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.5 | -35.4 | -175.7 | -66.9 | 172.2 | 0 | 0 | 0 | 112.3 | S261 V262 Y267 F268 E269 I270 L349 Y350 A353 | S261-L265 WeakPolarHBondContact O-CG 3.2Å; S261-L265 PolarHBondContact O-N 3.09Å; V262-L265 PolarHBondContact O-N 3.32Å; L265-Y267 VanDerWaalsContact C-N 3.31Å; L265-F268 CarbonylContact O-C 3.56Å; L265-F268 PolarHBondContact O-N 3.42Å; L265-E269 PolarHBondContact O-N 3.19Å; L265-I270 HydrophobicContact CB-CB 4.49Å; L265-I270 HydrophobicContact CB-CD1 4.35Å; L265-I270 HydrophobicContact CD2-CD1 3.67Å; L265-I270 WeakPolarHBondContact O-CB 3.29Å; L265-I270 PolarHBondContact O-N 3.45Å; L265-I270 VanDerWaalsContact O-N 3.08Å; L265-L349 HydrophobicContact CD1-CG 4.37Å; L265-L349 HydrophobicContact CD2-CD1 4.47Å; L265-L349 HydrophobicContact CD2-CD2 4.06Å; L265-L349 HydrophobicContact CD2-CG 3.92Å; L265-Y350 HydrophobicContact CB-CD1 4.46Å; L265-Y350 HydrophobicContact CB-CE1 3.87Å; L265-Y350 HydrophobicContact CB-CE2 4.06Å; L265-Y350 VanDerWaalsContact CD1-CA 3.45Å; L265-Y350 HydrophobicContact CD1-CD1 3.55Å; L265-Y350 HydrophobicContact CD1-CD2 3.6Å; L265-Y350 HydrophobicContact CD1-CE1 3.83Å; L265-Y350 HydrophobicContact CD1-CE2 3.88Å; L265-Y350 HydrophobicContact CD1-CG 3.44Å; L265-Y350 VanDerWaalsContact CD1-CG 3.44Å; L265-Y350 HydrophobicContact CG-CE1 4.49Å; L265-A353 HydrophobicContact CD1-CB 4.03Å |
| 266 | L | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -34.2 | 170.2 | -75.5 | 172.6 | 0 | 0 | 0 | 112.4 | G39 L40 N42 F43 V262 F268 E269 L272 | G39-L266 WeakPolarHBondContact O-CB 3.33Å; L40-L266 HydrophobicContact CD2-CD1 3.8Å; N42-L266 WeakPolarHBondContact CB-O 3.29Å; F43-L266 HydrophobicContact CD2-CD1 4.4Å; V262-L266 HydrophobicContact CG1-CD1 3.83Å; V262-L266 HydrophobicContact CG1-CG 4.45Å; V262-L266 WeakPolarHBondContact O-CB 3.31Å; V262-L266 VanDerWaalsContact O-CG 3.3Å; V262-L266 WeakPolarHBondContact O-CG 3.25Å; V262-L266 PolarHBondContact O-N 2.73Å; L266-F268 VanDerWaalsContact C-N 3.25Å; L266-F268 PolarHBondContact O-N 3.38Å; L266-E269 PolarHBondContact O-N 3.26Å; L266-L272 HydrophobicContact CD1-CD1 4.14Å; L266-L272 HydrophobicContact CD2-CD1 4.19Å; L266-L272 HydrophobicContact CD2-CG 3.95Å |
| 267 | Y | 92.9 | Very high | 92.2 | Very high | 149 Ų | 149 | 37.6 Ų | 37.6 | 58% | 0.584 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -61.6 | -35.3 | 173.5 | 179.4 | -94.3 | 0 | 0 | 0 | 112 | G263 L264 L265 E269 | G263-Y267 WeakPolarHBondContact O-CB 3.47Å; G263-Y267 PolarHBondContact O-N 3.32Å; L264-Y267 WeakPolarHBondContact O-CB 3.42Å; L264-Y267 PolarHBondContact O-N 2.87Å; L265-Y267 VanDerWaalsContact C-N 3.31Å; Y267-E269 PolarHBondContact O-N 3.02Å |
| 268 | F | 93.6 | Very high | 91.8 | Very high | 133 Ų | 133 | 37.8 Ų | 37.8 | 58% | 0.583 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 15.8 | 171.9 | -69.5 | -63 | 0 | 0 | 0 | 114.3 | L264 L265 L266 I270 | L264-F268 HydrophobicContact CD1-CD2 4.18Å; L264-F268 HydrophobicContact CD1-CE2 3.59Å; L264-F268 HydrophobicContact CD1-CZ 4.46Å; L264-F268 HydrophobicContact CG-CD2 4.19Å; L264-F268 HydrophobicContact CG-CE2 3.95Å; L264-F268 VanDerWaalsContact O-CD2 3.26Å; L264-F268 WeakPolarHBondContact O-CD2 3.42Å; L264-F268 PolarHBondContact O-N 3.06Å; L265-F268 CarbonylContact O-C 3.56Å; L265-F268 PolarHBondContact O-N 3.42Å; L266-F268 VanDerWaalsContact C-N 3.25Å; L266-F268 PolarHBondContact O-N 3.38Å; F268-I270 HydrophobicContact CB-CD1 4.32Å; F268-I270 HydrophobicContact CB-CG1 4.48Å; F268-I270 PolarHBondContact O-N 2.95Å |
| 269 | E | 92.7 | Very high | 91.7 | Very high | 153 Ų | 153 | 37 Ų | 37 | 72% | 0.715 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 21.7 | 177.1 | -54.4 | -176 | 168 | 0 | 0 | 114.7 | L265 L266 Y267 P271 | L265-E269 PolarHBondContact O-N 3.19Å; L266-E269 PolarHBondContact O-N 3.26Å; Y267-E269 PolarHBondContact O-N 3.02Å; E269-P271 VanDerWaalsContact O-CD 3.3Å; E269-P271 WeakPolarHBondContact O-CD 3.42Å |
| 270 | I | 92.4 | Very high | 91.6 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 20% | 0.195 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -78.9 | 116.7 | 174.3 | -59.8 | 163.7 | 0 | 0 | 0 | 107.7 | L265 F268 V346 L349 Y350 | L265-I270 HydrophobicContact CB-CB 4.49Å; L265-I270 HydrophobicContact CB-CD1 4.35Å; L265-I270 HydrophobicContact CD2-CD1 3.67Å; L265-I270 WeakPolarHBondContact O-CB 3.29Å; L265-I270 PolarHBondContact O-N 3.45Å; L265-I270 VanDerWaalsContact O-N 3.08Å; F268-I270 HydrophobicContact CB-CD1 4.32Å; F268-I270 HydrophobicContact CB-CG1 4.48Å; F268-I270 PolarHBondContact O-N 2.95Å; I270-V346 HydrophobicContact CG2-CG1 4.12Å; I270-L349 HydrophobicContact CD1-CD2 3.62Å; I270-Y350 HydrophobicContact CG2-CE2 3.81Å; I270-Y350 PolarHBondContact O-OH 2.83Å |
| 271 | P | 89.8 | Confident | 91.4 | Very high | 39 Ų | 39 | 33.4 Ų | 33.4 | 25% | 0.253 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -77.3 | 146.3 | -170.9 | 30.5 | -35.6 | 0 | 0 | 0 | 112.7 | S44 Q46 E269 | S44-P271 VanDerWaalsContact OG-CA 3.27Å; S44-P271 WeakPolarHBondContact OG-CA 3.41Å; S44-P271 WeakPolarHBondContact OG-CB 3.46Å; Q46-P271 HydrophobicContact CB-CB 3.9Å; Q46-P271 HydrophobicContact CB-CG 3.73Å; E269-P271 VanDerWaalsContact O-CD 3.3Å; E269-P271 WeakPolarHBondContact O-CD 3.42Å |
| 272 | L | 89 | Confident | 91 | Very high | 25 Ų | 25 | 33.5 Ų | 33.5 | 13% | 0.131 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -73 | 143.9 | 171.9 | -70.6 | 170.8 | 0 | 0 | 0 | 111.2 | F43 S44 Q45 Q46 V262 L266 I276 Y350 | F43-L272 HydrophobicContact CD2-CD1 3.86Å; F43-L272 HydrophobicContact CE2-CD1 3.43Å; F43-L272 VanDerWaalsContact CE2-CD1 3.43Å; F43-L272 HydrophobicContact CZ-CD1 4.36Å; S44-L272 PolarHBondContact O-N 3.5Å; Q45-L272 CarbonylContact C-O 3.59Å; Q45-L272 VanDerWaalsContact CA-O 3.25Å; Q45-L272 WeakPolarHBondContact CA-O 3.26Å; Q46-L272 PolarHBondContact N-O 3.36Å; V262-L272 HydrophobicContact CG1-CD2 4.47Å; L266-L272 HydrophobicContact CD1-CD1 4.14Å; L266-L272 HydrophobicContact CD2-CD1 4.19Å; L266-L272 HydrophobicContact CD2-CG 3.95Å; L272-I276 HydrophobicContact CD2-CB 4.17Å; L272-I276 HydrophobicContact CD2-CD1 3.81Å; L272-I276 HydrophobicContact CD2-CG2 3.54Å; L272-Y350 HydrophobicContact CD2-CE1 3.66Å |
| 273 | N | 86.6 | Confident | 91 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -131.8 | 177.5 | 177 | 67.2 | 29.2 | 0 | 0 | 0 | 110.2 | L52 T275 I276 | L52-N273 HydrophobicContact CD1-CB 3.83Å; L52-N273 HydrophobicContact CD2-CB 4Å; N273-T275 VanDerWaalsContact C-N 3.26Å; N273-T275 PolarHBondContact O-N 3.25Å; N273-T275 PolarHBondContact OD1-N 3.08Å; N273-T275 PolarHBondContact OD1-OG1 3.42Å; N273-I276 PolarHBondContact O-N 3.23Å; N273-I276 VanDerWaalsContact OD1-CG1 3.31Å; N273-I276 WeakPolarHBondContact OD1-CG1 3.41Å; N273-I276 PolarHBondContact OD1-N 3.12Å; N273-I276 VanDerWaalsContact OD1-N 3.08Å | ||
| 274 | G | 84.1 | Confident | 90.9 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 22% | 0.216 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 275 | T | 84.6 | Confident | 90.6 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -30.4 | -179.8 | 61.4 | 0 | 0 | 0 | 0 | 112 | Y53 N273 V277 A278 I690 | Y53-T275 WeakPolarHBondContact OH-CG2 3.46Å; N273-T275 VanDerWaalsContact C-N 3.26Å; N273-T275 PolarHBondContact O-N 3.25Å; N273-T275 PolarHBondContact OD1-N 3.08Å; N273-T275 PolarHBondContact OD1-OG1 3.42Å; T275-V277 PolarHBondContact O-N 3.47Å; T275-A278 WeakPolarHBondContact O-CB 3.48Å; T275-A278 PolarHBondContact O-N 2.86Å; T275-A278 VanDerWaalsContact O-N 3.12Å; T275-I690 HydrophobicContact CG2-CD1 3.59Å |
| 276 | I | 91 | Very high | 90.3 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -65.3 | -21.9 | 179.8 | -62.7 | 159.1 | 0 | 0 | 0 | 112.3 | L272 N273 A278 V279 P280 V346 Y350 | L272-I276 HydrophobicContact CD2-CB 4.17Å; L272-I276 HydrophobicContact CD2-CD1 3.81Å; L272-I276 HydrophobicContact CD2-CG2 3.54Å; N273-I276 PolarHBondContact O-N 3.23Å; N273-I276 VanDerWaalsContact OD1-CG1 3.31Å; N273-I276 WeakPolarHBondContact OD1-CG1 3.41Å; N273-I276 PolarHBondContact OD1-N 3.12Å; N273-I276 VanDerWaalsContact OD1-N 3.08Å; I276-A278 PolarHBondContact O-N 3.44Å; I276-A278 VanDerWaalsContact O-N 3.09Å; I276-V279 HydrophobicContact CB-CG2 4.48Å; I276-V279 HydrophobicContact CG2-CB 4.45Å; I276-V279 HydrophobicContact CG2-CG2 4.19Å; I276-V279 VanDerWaalsContact O-CB 3.31Å; I276-V279 WeakPolarHBondContact O-CB 3.25Å; I276-V279 PolarHBondContact O-N 3.34Å; I276-P280 WeakPolarHBondContact O-CD 3.45Å; I276-V346 HydrophobicContact CD1-CG1 3.62Å; I276-V346 HydrophobicContact CG1-CG1 4.32Å; I276-Y350 HydrophobicContact CD1-CD2 3.74Å; I276-Y350 HydrophobicContact CD1-CE2 3.59Å; I276-Y350 HydrophobicContact CD1-CG 4.26Å; I276-Y350 HydrophobicContact CG1-CD2 4.11Å; I276-Y350 HydrophobicContact CG1-CE2 4.44Å; I276-Y350 HydrophobicContact CG1-CG 4.27Å; I276-Y350 HydrophobicContact CG2-CD1 3.89Å; I276-Y350 HydrophobicContact CG2-CE1 4.22Å; I276-Y350 HydrophobicContact CG2-CG 4.11Å |
| 277 | V | 87.7 | Confident | 90.1 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 13% | 0.127 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -60.4 | -21.9 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | A211 L214 V215 T275 P280 | A211-V277 HydrophobicContact CB-CG2 4.09Å; A211-V277 WeakPolarHBondContact O-CG1 3.42Å; L214-V277 HydrophobicContact CB-CG1 3.8Å; L214-V277 HydrophobicContact CD1-CG1 4.31Å; V215-V277 HydrophobicContact CG2-CG1 4.39Å; T275-V277 PolarHBondContact O-N 3.47Å; V277-P280 WeakPolarHBondContact O-CD 3.35Å |
| 278 | A | 87.8 | Confident | 90 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -81 | -21.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | T275 I276 F281 L282 F347 F761 | T275-A278 WeakPolarHBondContact O-CB 3.48Å; T275-A278 PolarHBondContact O-N 2.86Å; T275-A278 VanDerWaalsContact O-N 3.12Å; I276-A278 PolarHBondContact O-N 3.44Å; I276-A278 VanDerWaalsContact O-N 3.09Å; A278-F281 PolarHBondContact O-N 3.29Å; A278-F281 VanDerWaalsContact O-N 3.14Å; A278-L282 PolarHBondContact O-N 2.93Å; A278-F347 HydrophobicContact CB-CE2 4.5Å; A278-F761 HydrophobicContact CB-CD2 4.04Å; A278-F761 HydrophobicContact CB-CE1 4.2Å; A278-F761 HydrophobicContact CB-CE2 3.7Å; A278-F761 HydrophobicContact CB-CG 4.47Å; A278-F761 HydrophobicContact CB-CZ 3.79Å |
| 279 | V | 92 | Very high | 89.8 | Confident | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.5 | -43.5 | -175.6 | 174.4 | 0 | 0 | 0 | 0 | 112.6 | I276 F281 L282 A283 F347 | I276-V279 HydrophobicContact CB-CG2 4.48Å; I276-V279 HydrophobicContact CG2-CB 4.45Å; I276-V279 HydrophobicContact CG2-CG2 4.19Å; I276-V279 VanDerWaalsContact O-CB 3.31Å; I276-V279 WeakPolarHBondContact O-CB 3.25Å; I276-V279 PolarHBondContact O-N 3.34Å; V279-F281 VanDerWaalsContact C-N 3.28Å; V279-F281 PolarHBondContact O-N 3.24Å; V279-L282 PolarHBondContact O-N 3.25Å; V279-A283 HydrophobicContact CG1-CB 4.39Å; V279-A283 VanDerWaalsContact O-CB 3.24Å; V279-A283 WeakPolarHBondContact O-CB 3.42Å; V279-A283 PolarHBondContact O-N 3.09Å; V279-F347 HydrophobicContact CG2-CD2 3.73Å; V279-F347 HydrophobicContact CG2-CE2 3.55Å; V279-F347 HydrophobicContact CG2-CZ 4.21Å |
| 280 | P | 92.7 | Very high | 89.7 | Confident | 24 Ų | 24 | 10.3 Ų | 10.3 | 16% | 0.156 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60 | -34.7 | 178.8 | -26.4 | 35.7 | 0 | 0 | 0 | 114.5 | I258 I276 V277 M284 | I258-P280 HydrophobicContact CD1-CB 4.32Å; I258-P280 HydrophobicContact CG2-CB 4.32Å; I258-P280 HydrophobicContact CG2-CG 4.2Å; I276-P280 WeakPolarHBondContact O-CD 3.45Å; V277-P280 WeakPolarHBondContact O-CD 3.35Å; P280-M284 WeakPolarHBondContact O-CB 3.33Å; P280-M284 PolarHBondContact O-N 3.48Å |
| 281 | F | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 8.5 Ų | 8.5 | 0% | 0.004 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.3 | -42 | 178.5 | -62.8 | -93.8 | 0 | 0 | 0 | 111 | A217 I218 L221 A278 V279 A285 P749 L750 | A217-F281 HydrophobicContact CB-CE1 4.05Å; A217-F281 HydrophobicContact CB-CZ 3.83Å; I218-F281 HydrophobicContact CB-CZ 4.49Å; I218-F281 HydrophobicContact CG1-CE2 3.78Å; I218-F281 HydrophobicContact CG1-CZ 3.68Å; L221-F281 HydrophobicContact CB-CD1 3.92Å; L221-F281 HydrophobicContact CB-CE1 3.78Å; L221-F281 HydrophobicContact CD1-CD1 4.09Å; L221-F281 HydrophobicContact CD2-CB 4.4Å; L221-F281 HydrophobicContact CD2-CD1 3.71Å; L221-F281 HydrophobicContact CD2-CE1 4.06Å; L221-F281 HydrophobicContact CD2-CG 4.01Å; L221-F281 HydrophobicContact CG-CD1 4.07Å; L221-F281 HydrophobicContact CG-CE1 4.37Å; A278-F281 PolarHBondContact O-N 3.29Å; A278-F281 VanDerWaalsContact O-N 3.14Å; V279-F281 VanDerWaalsContact C-N 3.28Å; V279-F281 PolarHBondContact O-N 3.24Å; F281-A285 VanDerWaalsContact O-CB 3.25Å; F281-A285 WeakPolarHBondContact O-CB 3.4Å; F281-A285 PolarHBondContact O-N 2.85Å; F281-P749 HydrophobicContact CE1-CB 4.14Å; F281-L750 HydrophobicContact CB-CD1 4.37Å; F281-L750 HydrophobicContact CD1-CD2 3.78Å; F281-L750 HydrophobicContact CD1-CG 3.96Å; F281-L750 HydrophobicContact CD2-CD2 3.73Å; F281-L750 HydrophobicContact CE1-CD2 3.82Å; F281-L750 HydrophobicContact CE1-CG 4.3Å; F281-L750 HydrophobicContact CE2-CD2 3.76Å; F281-L750 HydrophobicContact CG-CD1 4.4Å; F281-L750 HydrophobicContact CG-CD2 3.75Å; F281-L750 HydrophobicContact CG-CG 4.14Å; F281-L750 HydrophobicContact CZ-CD2 3.81Å |
| 282 | L | 88.3 | Confident | 89.9 | Confident | 4 Ų | 4 | 6.7 Ų | 6.7 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -74.1 | -51.2 | 179.7 | 179.1 | 57 | 0 | 0 | 0 | 112.1 | A278 V279 M284 A285 I286 F333 F347 T351 M697 I701 | A278-L282 PolarHBondContact O-N 2.93Å; V279-L282 PolarHBondContact O-N 3.25Å; L282-M284 VanDerWaalsContact C-N 3.27Å; L282-M284 PolarHBondContact O-N 3.04Å; L282-A285 WeakPolarHBondContact O-CB 3.13Å; L282-A285 PolarHBondContact O-N 2.93Å; L282-I286 HydrophobicContact CD1-CD1 3.49Å; L282-I286 VanDerWaalsContact CD1-CD1 3.49Å; L282-I286 HydrophobicContact CD1-CG1 4.04Å; L282-I286 HydrophobicContact CG-CD1 3.8Å; L282-I286 PolarHBondContact O-N 2.9Å; L282-F333 HydrophobicContact CD2-CE1 4.46Å; L282-F333 HydrophobicContact CD2-CZ 4.12Å; L282-F347 HydrophobicContact CD2-CE1 4.35Å; L282-F347 HydrophobicContact CD2-CZ 3.92Å; L282-T351 HydrophobicContact CD2-CG2 4.26Å; L282-M697 HydrophobicContact CD1-CG 3.62Å; L282-M697 HydrophobicContact CD1-SD 3.31Å; L282-M697 WeakPolarHBondContact CD1-SD 3.12Å; L282-M697 HydrophobicContact CD2-CB 4.4Å; L282-M697 HydrophobicContact CD2-CG 3.7Å; L282-M697 HydrophobicContact CD2-SD 3.49Å; L282-M697 WeakPolarHBondContact CD2-SD 3.42Å; L282-M697 HydrophobicContact CG-CG 4.28Å; L282-M697 HydrophobicContact CG-SD 3.95Å; L282-I701 HydrophobicContact CD1-CD1 4.23Å |
| 283 | A | 93 | Very high | 90 | Very high | 4 Ų | 4 | 6.1 Ų | 6.1 | 3% | 0.033 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.4 | -39.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I258 V279 G287 A354 M355 | I258-A283 HydrophobicContact CD1-CB 4.03Å; I258-A283 HydrophobicContact CG1-CB 3.77Å; V279-A283 HydrophobicContact CG1-CB 4.39Å; V279-A283 VanDerWaalsContact O-CB 3.24Å; V279-A283 WeakPolarHBondContact O-CB 3.42Å; V279-A283 PolarHBondContact O-N 3.09Å; A283-G287 PolarHBondContact O-N 3.43Å; A283-A354 HydrophobicContact CB-CB 4.02Å; A283-M355 HydrophobicContact CB-CE 4.29Å |
| 284 | M | 93.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 6 Ų | 6 | 2% | 0.015 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -75.8 | -28.1 | 175.7 | -168.5 | 159.4 | 71.3 | 0 | 0 | 113.2 | L221 L222 M225 V255 I258 P280 L282 I288 | L221-M284 HydrophobicContact CB-CE 4.48Å; L221-M284 HydrophobicContact CD1-CE 3.47Å; L221-M284 VanDerWaalsContact CD1-CE 3.47Å; L221-M284 HydrophobicContact CD2-CE 3.63Å; L221-M284 HydrophobicContact CG-CE 3.22Å; L222-M284 HydrophobicContact CD2-CE 3.9Å; L222-M284 HydrophobicContact CD2-SD 4.01Å; M225-M284 HydrophobicContact CB-CE 3.92Å; M225-M284 HydrophobicContact CG-CE 3.71Å; V255-M284 HydrophobicContact CG2-SD 3.92Å; I258-M284 HydrophobicContact CD1-CB 4.11Å; P280-M284 WeakPolarHBondContact O-CB 3.33Å; P280-M284 PolarHBondContact O-N 3.48Å; L282-M284 VanDerWaalsContact C-N 3.27Å; L282-M284 PolarHBondContact O-N 3.04Å; M284-I288 WeakPolarHBondContact O-CB 3.43Å; M284-I288 WeakPolarHBondContact O-CG2 3.21Å; M284-I288 PolarHBondContact O-N 3.32Å |
| 285 | A | 88.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -69 | -37.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F281 L282 T743 | F281-A285 VanDerWaalsContact O-CB 3.25Å; F281-A285 WeakPolarHBondContact O-CB 3.4Å; F281-A285 PolarHBondContact O-N 2.85Å; L282-A285 WeakPolarHBondContact O-CB 3.13Å; L282-A285 PolarHBondContact O-N 2.93Å; A285-T743 HydrophobicContact CB-CG2 4.28Å |
| 286 | I | 90 | Very high | 90.9 | Very high | 5 Ų | 5 | 5.4 Ų | 5.4 | 3% | 0.026 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -78 | -55.8 | 177.5 | -67.2 | 166.6 | 0 | 0 | 0 | 110.2 | L282 I288 D289 D329 F333 M355 D700 I701 | L282-I286 HydrophobicContact CD1-CD1 3.49Å; L282-I286 VanDerWaalsContact CD1-CD1 3.49Å; L282-I286 HydrophobicContact CD1-CG1 4.04Å; L282-I286 HydrophobicContact CG-CD1 3.8Å; L282-I286 PolarHBondContact O-N 2.9Å; I286-I288 PolarHBondContact O-N 2.82Å; I286-D289 WeakPolarHBondContact O-CB 3.26Å; I286-D289 PolarHBondContact O-N 3.45Å; I286-D329 WeakPolarHBondContact CG2-OD2 3.45Å; I286-F333 HydrophobicContact CD1-CE2 4.42Å; I286-F333 HydrophobicContact CD1-CZ 4.49Å; I286-M355 HydrophobicContact CB-CE 3.83Å; I286-M355 HydrophobicContact CB-SD 4.25Å; I286-M355 HydrophobicContact CD1-CE 3.45Å; I286-M355 VanDerWaalsContact CD1-CE 3.45Å; I286-M355 HydrophobicContact CG1-CE 4.21Å; I286-M355 HydrophobicContact CG2-CE 3.95Å; I286-M355 HydrophobicContact CG2-SD 3.89Å; I286-D700 WeakPolarHBondContact CD1-OD2 3.42Å; I286-I701 HydrophobicContact CG1-CG1 4.35Å |
| 287 | G | 89.5 | Confident | 90.8 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.8 | -19.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | A283 D289 D358 Q362 | A283-G287 PolarHBondContact O-N 3.43Å; G287-D289 VanDerWaalsContact C-N 3.33Å; G287-D358 WeakPolarHBondContact CA-OD2 3.28Å; G287-Q362 PolarHBondContact O-NE2 3.25Å |
| 288 | I | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -76 | -19.5 | 175.7 | -149.2 | 167.6 | 0 | 0 | 0 | 113.3 | M225 T229 M284 I286 D290 T291 F292 A742 | M225-I288 HydrophobicContact CB-CD1 4.31Å; M225-I288 HydrophobicContact CE-CB 4.24Å; M225-I288 HydrophobicContact CE-CD1 3.5Å; M225-I288 HydrophobicContact CE-CG1 4.49Å; M225-I288 HydrophobicContact CE-CG2 3.64Å; T229-I288 HydrophobicContact CG2-CD1 3.23Å; T229-I288 HydrophobicContact CG2-CG1 3.86Å; M284-I288 WeakPolarHBondContact O-CB 3.43Å; M284-I288 WeakPolarHBondContact O-CG2 3.21Å; M284-I288 PolarHBondContact O-N 3.32Å; I286-I288 PolarHBondContact O-N 2.82Å; I288-D290 VanDerWaalsContact C-N 3.33Å; I288-D290 PolarHBondContact O-N 3.35Å; I288-T291 WeakPolarHBondContact O-CB 3.4Å; I288-T291 PolarHBondContact O-N 3.49Å; I288-T291 VanDerWaalsContact O-N 3.13Å; I288-T291 PolarHBondContact O-OG1 2.84Å; I288-F292 HydrophobicContact CG1-CE2 4.4Å; I288-F292 HydrophobicContact CG2-CE2 4.11Å; I288-F292 WeakPolarHBondContact O-CD2 3.41Å; I288-F292 PolarHBondContact O-N 2.73Å; I288-A742 HydrophobicContact CG2-CB 3.82Å |
| 289 | D | 89.4 | Confident | 91 | Very high | 4 Ų | 4 | 6.5 Ų | 6.5 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | -179.7 | -167.5 | 39.6 | 0 | 0 | 0 | 111.1 | I286 G287 T291 F292 L293 H708 G739 | I286-D289 WeakPolarHBondContact O-CB 3.26Å; I286-D289 PolarHBondContact O-N 3.45Å; G287-D289 VanDerWaalsContact C-N 3.33Å; D289-T291 PolarHBondContact O-N 3.49Å; D289-T291 VanDerWaalsContact O-N 3.12Å; D289-F292 WeakPolarHBondContact O-CB 3.16Å; D289-F292 PolarHBondContact O-N 3.09Å; D289-L293 PolarHBondContact O-N 3.29Å; D289-H708 IonicContact OD2-NE2 3.99Å; D289-G739 VanDerWaalsContact OD1-CA 3.32Å; D289-G739 WeakPolarHBondContact OD1-CA 3.39Å |
| 290 | D | 91.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 10.6 Ų | 10.6 | 3% | 0.032 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.3 | -31.9 | 173.9 | -71.3 | -16.3 | 0 | 0 | 0 | 112.8 | I288 L293 T294 I322 T325 Q362 | I288-D290 VanDerWaalsContact C-N 3.33Å; I288-D290 PolarHBondContact O-N 3.35Å; D290-L293 PolarHBondContact O-N 2.76Å; D290-T294 PolarHBondContact O-N 2.98Å; D290-T294 PolarHBondContact O-OG1 3.37Å; D290-T294 VanDerWaalsContact O-OG1 3.13Å; D290-I322 HydrophobicContact CB-CD1 4.2Å; D290-I322 HydrophobicContact CB-CG1 4Å; D290-I322 HydrophobicContact CB-CG2 4.35Å; D290-T325 PolarHBondContact OD1-OG1 3.36Å; D290-Q362 HydrophobicContact CB-CG 3.94Å |
| 291 | T | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 174.8 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | G250 I288 D289 L293 I295 Q362 F366 | G250-T291 WeakPolarHBondContact CA-OG1 3.29Å; I288-T291 WeakPolarHBondContact O-CB 3.4Å; I288-T291 PolarHBondContact O-N 3.49Å; I288-T291 VanDerWaalsContact O-N 3.13Å; I288-T291 PolarHBondContact O-OG1 2.84Å; D289-T291 PolarHBondContact O-N 3.49Å; D289-T291 VanDerWaalsContact O-N 3.12Å; T291-L293 VanDerWaalsContact C-N 3.34Å; T291-I295 HydrophobicContact CG2-CD1 3.83Å; T291-I295 WeakPolarHBondContact O-CB 3.3Å; T291-I295 VanDerWaalsContact O-CG1 3.26Å; T291-I295 WeakPolarHBondContact O-CG1 3.34Å; T291-I295 PolarHBondContact O-N 3.36Å; T291-Q362 PolarHBondContact OG1-NE2 2.91Å; T291-Q362 VanDerWaalsContact OG1-NE2 3.09Å; T291-F366 HydrophobicContact CG2-CE1 3.98Å; T291-F366 HydrophobicContact CG2-CE2 3.88Å; T291-F366 HydrophobicContact CG2-CZ 3.42Å; T291-F366 VanDerWaalsContact CG2-CZ 3.42Å |
| 292 | F | 92.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | -179.7 | -63.3 | -54.9 | 0 | 0 | 0 | 111.4 | F228 T229 I288 D289 I295 Q296 P735 Q738 A742 | F228-F292 AromaticContact CD1-CZ 3.95Å; F228-F292 HydrophobicContact CD1-CZ 3.95Å; F228-F292 HydrophobicContact CE1-CE1 4.46Å; F228-F292 HydrophobicContact CE1-CE2 4.17Å; F228-F292 AromaticContact CE1-CZ 3.65Å; F228-F292 HydrophobicContact CE1-CZ 3.65Å; T229-F292 HydrophobicContact CG2-CE1 4.08Å; T229-F292 HydrophobicContact CG2-CZ 3.82Å; I288-F292 HydrophobicContact CG1-CE2 4.4Å; I288-F292 HydrophobicContact CG2-CE2 4.11Å; I288-F292 WeakPolarHBondContact O-CD2 3.41Å; I288-F292 PolarHBondContact O-N 2.73Å; D289-F292 WeakPolarHBondContact O-CB 3.16Å; D289-F292 PolarHBondContact O-N 3.09Å; F292-I295 PolarHBondContact O-N 3.24Å; F292-Q296 VanDerWaalsContact O-CB 3.3Å; F292-Q296 WeakPolarHBondContact O-CB 3.35Å; F292-Q296 PolarHBondContact O-N 3.49Å; F292-P735 HydrophobicContact CB-CB 4.31Å; F292-Q738 HydrophobicContact CB-CB 4.37Å; F292-Q738 HydrophobicContact CD1-CB 4.05Å; F292-Q738 HydrophobicContact CD2-CB 3.73Å; F292-Q738 HydrophobicContact CE1-CB 4.25Å; F292-Q738 HydrophobicContact CE2-CB 3.94Å; F292-Q738 HydrophobicContact CG-CB 3.79Å; F292-Q738 HydrophobicContact CZ-CB 4.2Å; F292-A742 HydrophobicContact CE2-CB 3.85Å; F292-A742 HydrophobicContact CZ-CB 4.41Å |
| 293 | L | 90.3 | Very high | 90 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 6% | 0.063 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | 179.2 | -167.4 | 61.8 | 0 | 0 | 0 | 112.3 | D289 D290 T291 Q296 A297 A321 I322 V732 P735 | D289-L293 PolarHBondContact O-N 3.29Å; D290-L293 PolarHBondContact O-N 2.76Å; T291-L293 VanDerWaalsContact C-N 3.34Å; L293-Q296 PolarHBondContact O-N 3.46Å; L293-A297 WeakPolarHBondContact O-CB 3.17Å; L293-A297 PolarHBondContact O-N 2.94Å; L293-A321 HydrophobicContact CD2-CB 3.51Å; L293-I322 HydrophobicContact CD2-CG1 4.19Å; L293-V732 HydrophobicContact CD1-CG1 4.22Å; L293-P735 HydrophobicContact CD1-CB 4.4Å |
| 294 | T | 92.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | D290 Q296 A297 W298 I322 F366 V370 | D290-T294 PolarHBondContact O-N 2.98Å; D290-T294 PolarHBondContact O-OG1 3.37Å; D290-T294 VanDerWaalsContact O-OG1 3.13Å; T294-Q296 VanDerWaalsContact C-N 3.28Å; T294-Q296 PolarHBondContact O-N 2.96Å; T294-A297 PolarHBondContact O-N 3Å; T294-W298 WeakPolarHBondContact O-CB 3.32Å; T294-W298 PolarHBondContact O-N 3.49Å; T294-I322 WeakPolarHBondContact OG1-CD1 3.33Å; T294-F366 HydrophobicContact CG2-CD1 4.34Å; T294-F366 HydrophobicContact CG2-CE1 3.92Å; T294-V370 HydrophobicContact CG2-CG2 4.35Å |
| 295 | I | 92 | Very high | 89.3 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 175.9 | -71.9 | 172.8 | 0 | 0 | 0 | 110.3 | K243 E246 T291 F292 W298 K299 F366 | K243-I295 HydrophobicContact CB-CG2 3.95Å; K243-I295 HydrophobicContact CG-CG2 4.04Å; E246-I295 HydrophobicContact CB-CD1 4.02Å; E246-I295 HydrophobicContact CB-CG1 4.23Å; T291-I295 HydrophobicContact CG2-CD1 3.83Å; T291-I295 WeakPolarHBondContact O-CB 3.3Å; T291-I295 VanDerWaalsContact O-CG1 3.26Å; T291-I295 WeakPolarHBondContact O-CG1 3.34Å; T291-I295 PolarHBondContact O-N 3.36Å; F292-I295 PolarHBondContact O-N 3.24Å; I295-W298 PolarHBondContact O-N 3.45Å; I295-K299 HydrophobicContact CG2-CD 4.1Å; I295-K299 VanDerWaalsContact CG2-CE 3.46Å; I295-K299 HydrophobicContact CG2-CG 4.49Å; I295-K299 WeakPolarHBondContact O-CG 3.26Å; I295-K299 PolarHBondContact O-N 3.21Å; I295-F366 HydrophobicContact CD1-CZ 4.15Å; I295-F366 HydrophobicContact CG1-CZ 3.93Å |
| 296 | Q | 89.8 | Confident | 89.4 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.3 | -46.1 | 177.9 | -178 | 64.9 | 6.2 | 0 | 0 | 111.6 | F292 L293 T294 W298 K299 L300 A731 P735 | F292-Q296 VanDerWaalsContact O-CB 3.3Å; F292-Q296 WeakPolarHBondContact O-CB 3.35Å; F292-Q296 PolarHBondContact O-N 3.49Å; L293-Q296 PolarHBondContact O-N 3.46Å; T294-Q296 VanDerWaalsContact C-N 3.28Å; T294-Q296 PolarHBondContact O-N 2.96Å; Q296-W298 VanDerWaalsContact C-N 3.26Å; Q296-W298 PolarHBondContact O-N 3Å; Q296-K299 PolarHBondContact O-N 3.07Å; Q296-L300 HydrophobicContact CG-CD1 4.21Å; Q296-L300 WeakPolarHBondContact O-CG 3.35Å; Q296-L300 PolarHBondContact O-N 3.39Å; Q296-A731 WeakPolarHBondContact CG-O 3.34Å; Q296-P735 HydrophobicContact CB-CG 3.51Å; Q296-P735 HydrophobicContact CG-CG 3.55Å |
| 297 | A | 90.1 | Very high | 89.5 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.9 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L293 T294 L300 T301 A314 | L293-A297 WeakPolarHBondContact O-CB 3.17Å; L293-A297 PolarHBondContact O-N 2.94Å; T294-A297 PolarHBondContact O-N 3Å; A297-L300 PolarHBondContact O-N 3.01Å; A297-T301 WeakPolarHBondContact O-CG2 3.49Å; A297-T301 PolarHBondContact O-N 3.25Å; A297-A314 HydrophobicContact CB-CB 4.22Å |
| 298 | W | 91.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 173 | 179.7 | -83.9 | 0 | 0 | 0 | 112.8 | K243 T294 I295 Q296 L300 T301 P307 R310 L311 A314 V370 E377 | K243-W298 VanDerWaalsContact NZ-CD1 3.28Å; T294-W298 WeakPolarHBondContact O-CB 3.32Å; T294-W298 PolarHBondContact O-N 3.49Å; I295-W298 PolarHBondContact O-N 3.45Å; Q296-W298 VanDerWaalsContact C-N 3.26Å; Q296-W298 PolarHBondContact O-N 3Å; W298-L300 PolarHBondContact O-N 3.49Å; W298-T301 WeakPolarHBondContact O-CB 3.11Å; W298-T301 PolarHBondContact O-N 2.93Å; W298-T301 VanDerWaalsContact O-N 3.13Å; W298-T301 PolarHBondContact O-OG1 3.02Å; W298-P307 HydrophobicContact CH2-CB 4.5Å; W298-R310 HydrophobicContact CE3-CB 4.27Å; W298-R310 HydrophobicContact CH2-CB 3.73Å; W298-R310 HydrophobicContact CZ2-CB 4.17Å; W298-R310 HydrophobicContact CZ3-CB 3.8Å; W298-L311 HydrophobicContact CZ3-CB 3.87Å; W298-L311 HydrophobicContact CZ3-CD1 4.35Å; W298-L311 VanDerWaalsContact CZ3-N 3.32Å; W298-A314 HydrophobicContact CB-CB 4.29Å; W298-A314 HydrophobicContact CE3-CB 4.34Å; W298-V370 HydrophobicContact CB-CG1 4.31Å; W298-V370 HydrophobicContact CD2-CG1 3.88Å; W298-V370 HydrophobicContact CE3-CG1 3.72Å; W298-V370 HydrophobicContact CG-CG1 4.13Å; W298-V370 HydrophobicContact CZ3-CG1 4.35Å; W298-E377 PolarHBondContact NE1-OE1 3.35Å |
| 299 | K | 87.9 | Confident | 89.8 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 18% | 0.183 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -30.6 | 178.6 | -75.9 | 172.9 | -174.5 | 166.9 | 0 | 112.6 | N233 K243 I295 Q296 T301 | N233-K299 PolarHBondContact OD1-NZ 2.86Å; K243-K299 HydrophobicContact CG-CG 4.47Å; I295-K299 HydrophobicContact CG2-CD 4.1Å; I295-K299 VanDerWaalsContact CG2-CE 3.46Å; I295-K299 HydrophobicContact CG2-CG 4.49Å; I295-K299 WeakPolarHBondContact O-CG 3.26Å; I295-K299 PolarHBondContact O-N 3.21Å; Q296-K299 PolarHBondContact O-N 3.07Å; K299-T301 VanDerWaalsContact C-N 3.33Å |
| 300 | L | 86.1 | Confident | 90 | Very high | 90 Ų | 90 | 40.5 Ų | 40.5 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -76.5 | -17.5 | 177.2 | -68.2 | 173.1 | 0 | 0 | 0 | 113.1 | Q296 A297 W298 A731 | Q296-L300 HydrophobicContact CG-CD1 4.21Å; Q296-L300 WeakPolarHBondContact O-CG 3.35Å; Q296-L300 PolarHBondContact O-N 3.39Å; A297-L300 PolarHBondContact O-N 3.01Å; W298-L300 PolarHBondContact O-N 3.49Å; L300-A731 HydrophobicContact CD1-CB 4.48Å |
| 301 | T | 89.3 | Confident | 90.2 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -69 | 148.6 | 173.4 | 69.2 | 0 | 0 | 0 | 0 | 112 | A297 W298 K299 P303 R310 L313 A314 | A297-T301 WeakPolarHBondContact O-CG2 3.49Å; A297-T301 PolarHBondContact O-N 3.25Å; W298-T301 WeakPolarHBondContact O-CB 3.11Å; W298-T301 PolarHBondContact O-N 2.93Å; W298-T301 VanDerWaalsContact O-N 3.13Å; W298-T301 PolarHBondContact O-OG1 3.02Å; K299-T301 VanDerWaalsContact C-N 3.33Å; T301-P303 WeakPolarHBondContact O-CD 3.5Å; T301-R310 PolarHBondContact OG1-NE 2.97Å; T301-L313 HydrophobicContact CG2-CB 4.06Å; T301-A314 HydrophobicContact CG2-CB 4.33Å |
| 302 | S | 85.4 | Confident | 90.3 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 38% | 0.378 | 21% | 0.21 | S | C | . | . | trans | -66.6 | 124.9 | 176.4 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | K304 L305 | S302-K304 PolarHBondContact O-N 3Å; S302-K304 PolarHBondContact OG-N 3.44Å; S302-L305 PolarHBondContact O-N 3.09Å; S302-L305 VanDerWaalsContact O-N 3.13Å | ||
| 303 | P | 82 | Confident | 90.4 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 60% | 0.604 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -13.6 | 175.4 | -23.9 | 34.6 | 0 | 0 | 0 | 114.3 | T301 L305 | T301-P303 WeakPolarHBondContact O-CD 3.5Å; P303-L305 VanDerWaalsContact C-N 3.31Å |
| 304 | K | 83.5 | Confident | 90.5 | Very high | 200 Ų | 200 | 41.4 Ų | 41.4 | 87% | 0.87 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -16 | 178 | -61.5 | -177.4 | 178.9 | -179.9 | 0 | 113.4 | S302 | S302-K304 PolarHBondContact O-N 3Å; S302-K304 PolarHBondContact OG-N 3.44Å |
| 305 | L | 88.6 | Confident | 90.6 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 34% | 0.335 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -80.3 | 148 | -179.9 | -67.5 | 173.1 | 0 | 0 | 0 | 110.3 | S302 P303 R309 R310 L313 | S302-L305 PolarHBondContact O-N 3.09Å; S302-L305 VanDerWaalsContact O-N 3.13Å; P303-L305 VanDerWaalsContact C-N 3.31Å; L305-R309 HydrophobicContact CB-CB 4.48Å; L305-R309 HydrophobicContact CD1-CG 4.43Å; L305-R310 HydrophobicContact CB-CG 3.76Å; L305-R310 VanDerWaalsContact O-CD 3.31Å; L305-R310 WeakPolarHBondContact O-CD 3.39Å; L305-L313 HydrophobicContact CD1-CD1 3.56Å |
| 306 | P | 91.1 | Very high | 90.7 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 47% | 0.474 | 23% | 0.229 | S | C | . | . | trans | -59.1 | 145.2 | 174.5 | 25.2 | -32.8 | 0 | 0 | 0 | 110.5 | E308 R309 R310 | P306-E308 WeakPolarHBondContact CB-OE2 3.47Å; P306-E308 PolarHBondContact O-N 2.83Å; P306-E308 VanDerWaalsContact O-N 3.13Å; P306-R309 HydrophobicContact CG-CB 3.79Å; P306-R309 WeakPolarHBondContact O-CA 3.2Å; P306-R309 WeakPolarHBondContact O-CB 3.39Å; P306-R309 PolarHBondContact O-N 2.76Å; P306-R310 PolarHBondContact O-N 3.06Å | ||
| 307 | P | 91.4 | Very high | 90.6 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.9 | -34.8 | -174.3 | -27.6 | 35.2 | 0 | 0 | 0 | 114.4 | W298 R310 L311 Y371 R375 | W298-P307 HydrophobicContact CH2-CB 4.5Å; P307-R310 PolarHBondContact O-N 3.31Å; P307-L311 PolarHBondContact O-N 3.34Å; P307-Y371 HydrophobicContact CB-CD2 4.21Å; P307-Y371 HydrophobicContact CB-CE2 4Å; P307-R375 HydrophobicContact CB-CB 4.22Å; P307-R375 HydrophobicContact CG-CB 4.32Å; P307-R375 HydrophobicContact CG-CG 4.33Å |
| 308 | E | 93.9 | Very high | 90.7 | Very high | 54 Ų | 54 | 46 Ų | 46 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 177.1 | -56.1 | 75.5 | -168.9 | 0 | 0 | 110.6 | L16 A19 P306 R310 L311 S312 Y371 | L16-E308 HydrophobicContact CD2-CB 4.34Å; A19-E308 HydrophobicContact CB-CB 4.02Å; A19-E308 HydrophobicContact CB-CG 4.05Å; P306-E308 WeakPolarHBondContact CB-OE2 3.47Å; P306-E308 PolarHBondContact O-N 2.83Å; P306-E308 VanDerWaalsContact O-N 3.13Å; E308-R310 VanDerWaalsContact C-N 3.35Å; E308-L311 PolarHBondContact O-N 3.19Å; E308-S312 PolarHBondContact O-N 3.34Å; E308-Y371 HydrophobicContact CG-CE2 3.96Å; E308-Y371 PolarHBondContact OE1-OH 2.85Å |
| 309 | R | 94.2 | Very high | 90.7 | Very high | 84 Ų | 84 | 46 Ų | 46 | 32% | 0.317 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.9 | -36.6 | 176.6 | -170.8 | 67.7 | -176.6 | 149 | -6.2 | 111.1 | E12 L305 P306 S312 L313 | E12-R309 IonicContact OE1-CZ 2.75Å; E12-R309 IonicContact OE1-NH1 2.77Å; E12-R309 PolarHBondContact OE1-NH1 3.45Å; E12-R309 IonicContact OE1-NH2 3.21Å; E12-R309 PolarHBondContact OE1-NH2 3.45Å; L305-R309 HydrophobicContact CB-CB 4.48Å; L305-R309 HydrophobicContact CD1-CG 4.43Å; P306-R309 HydrophobicContact CG-CB 3.79Å; P306-R309 WeakPolarHBondContact O-CA 3.2Å; P306-R309 WeakPolarHBondContact O-CB 3.39Å; P306-R309 PolarHBondContact O-N 2.76Å; R309-S312 WeakPolarHBondContact CA-OG 3.44Å; R309-S312 PolarHBondContact NH1-OG 3.16Å; R309-S312 VanDerWaalsContact NH1-OG 3.15Å; R309-S312 PolarHBondContact O-N 3.15Å; R309-S312 PolarHBondContact O-OG 3.26Å; R309-L313 HydrophobicContact CG-CD1 4.3Å; R309-L313 WeakPolarHBondContact O-CG 3.17Å; R309-L313 PolarHBondContact O-N 2.9Å |
| 310 | R | 93.4 | Very high | 90.8 | Very high | 11 Ų | 11 | 44 Ų | 44 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 174.9 | -67.5 | 179.4 | 65.8 | -164 | -2.3 | 111.4 | W298 T301 L305 P306 P307 E308 S312 L313 A314 E377 | W298-R310 HydrophobicContact CE3-CB 4.27Å; W298-R310 HydrophobicContact CH2-CB 3.73Å; W298-R310 HydrophobicContact CZ2-CB 4.17Å; W298-R310 HydrophobicContact CZ3-CB 3.8Å; T301-R310 PolarHBondContact OG1-NE 2.97Å; L305-R310 HydrophobicContact CB-CG 3.76Å; L305-R310 VanDerWaalsContact O-CD 3.31Å; L305-R310 WeakPolarHBondContact O-CD 3.39Å; P306-R310 PolarHBondContact O-N 3.06Å; P307-R310 PolarHBondContact O-N 3.31Å; E308-R310 VanDerWaalsContact C-N 3.35Å; R310-S312 VanDerWaalsContact C-N 3.35Å; R310-S312 PolarHBondContact O-N 3.34Å; R310-L313 PolarHBondContact O-N 3.17Å; R310-A314 WeakPolarHBondContact O-CB 3.29Å; R310-A314 PolarHBondContact O-N 2.74Å; R310-E377 IonicContact CZ-OE2 2.72Å; R310-E377 VanDerWaalsContact CZ-OE2 3.31Å; R310-E377 IonicContact NH1-OE2 2.98Å; R310-E377 PolarHBondContact NH1-OE2 3.04Å; R310-E377 IonicContact NH2-OE1 2.65Å; R310-E377 IonicContact NH2-OE2 3.35Å; R310-E377 PolarHBondContact NH2-OE2 3.46Å |
| 311 | L | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 175.2 | -174.6 | 63.8 | 0 | 0 | 0 | 110.9 | G15 V18 A19 W298 P307 E308 L313 A314 L315 Y371 | G15-L311 WeakPolarHBondContact O-CD2 3.39Å; V18-L311 HydrophobicContact CB-CD2 4.16Å; V18-L311 HydrophobicContact CG1-CD2 3.99Å; A19-L311 HydrophobicContact CB-CD2 4.17Å; W298-L311 HydrophobicContact CZ3-CB 3.87Å; W298-L311 HydrophobicContact CZ3-CD1 4.35Å; W298-L311 VanDerWaalsContact CZ3-N 3.32Å; P307-L311 PolarHBondContact O-N 3.34Å; E308-L311 PolarHBondContact O-N 3.19Å; L311-L313 VanDerWaalsContact C-N 3.3Å; L311-L313 PolarHBondContact O-N 3.48Å; L311-A314 PolarHBondContact O-N 2.62Å; L311-L315 HydrophobicContact CD1-CD1 3.97Å; L311-L315 HydrophobicContact CD1-CG 4.06Å; L311-L315 HydrophobicContact CD2-CD1 4.3Å; L311-L315 HydrophobicContact CG-CD1 3.95Å; L311-L315 HydrophobicContact CG-CG 4.37Å; L311-L315 PolarHBondContact O-N 3.35Å; L311-Y371 HydrophobicContact CD2-CG 4.35Å |
| 312 | S | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -41.9 | 179.6 | 75 | 0 | 0 | 0 | 0 | 113 | E12 E308 R309 R310 R316 | E12-S312 VanDerWaalsContact O-CB 3.29Å; E12-S312 WeakPolarHBondContact O-CB 3.42Å; E308-S312 PolarHBondContact O-N 3.34Å; R309-S312 WeakPolarHBondContact CA-OG 3.44Å; R309-S312 PolarHBondContact NH1-OG 3.16Å; R309-S312 VanDerWaalsContact NH1-OG 3.15Å; R309-S312 PolarHBondContact O-N 3.15Å; R309-S312 PolarHBondContact O-OG 3.26Å; R310-S312 VanDerWaalsContact C-N 3.35Å; R310-S312 PolarHBondContact O-N 3.34Å; S312-R316 VanDerWaalsContact O-CB 3.29Å; S312-R316 WeakPolarHBondContact O-CB 3.49Å; S312-R316 PolarHBondContact O-N 3.22Å |
| 313 | L | 94.5 | Very high | 91.4 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 19% | 0.194 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -75.6 | -35.3 | 179 | -68.2 | 175.2 | 0 | 0 | 0 | 112 | T301 L305 R309 R310 L311 E317 | T301-L313 HydrophobicContact CG2-CB 4.06Å; L305-L313 HydrophobicContact CD1-CD1 3.56Å; R309-L313 HydrophobicContact CG-CD1 4.3Å; R309-L313 WeakPolarHBondContact O-CG 3.17Å; R309-L313 PolarHBondContact O-N 2.9Å; R310-L313 PolarHBondContact O-N 3.17Å; L311-L313 VanDerWaalsContact C-N 3.3Å; L311-L313 PolarHBondContact O-N 3.48Å; L313-E317 WeakPolarHBondContact O-CG 3.47Å; L313-E317 PolarHBondContact O-N 3.46Å |
| 314 | A | 93.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -52.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A297 W298 T301 R310 L311 R316 E317 S318 | A297-A314 HydrophobicContact CB-CB 4.22Å; W298-A314 HydrophobicContact CB-CB 4.29Å; W298-A314 HydrophobicContact CE3-CB 4.34Å; T301-A314 HydrophobicContact CG2-CB 4.33Å; R310-A314 WeakPolarHBondContact O-CB 3.29Å; R310-A314 PolarHBondContact O-N 2.74Å; L311-A314 PolarHBondContact O-N 2.62Å; A314-R316 VanDerWaalsContact C-N 3.34Å; A314-R316 PolarHBondContact O-N 2.87Å; A314-E317 PolarHBondContact O-N 2.99Å; A314-E317 VanDerWaalsContact O-N 3.08Å; A314-S318 PolarHBondContact O-N 3.48Å; A314-S318 PolarHBondContact O-OG 3.16Å; A314-S318 VanDerWaalsContact O-OG 3.09Å |
| 315 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.1 | -30.3 | 179.3 | -74.1 | 178 | 0 | 0 | 0 | 113.6 | F11 Y14 L311 E317 G319 M363 S367 | F11-L315 WeakPolarHBondContact CB-O 3.5Å; Y14-L315 HydrophobicContact CD1-CD1 4.41Å; L311-L315 HydrophobicContact CD1-CD1 3.97Å; L311-L315 HydrophobicContact CD1-CG 4.06Å; L311-L315 HydrophobicContact CD2-CD1 4.3Å; L311-L315 HydrophobicContact CG-CD1 3.95Å; L311-L315 HydrophobicContact CG-CG 4.37Å; L311-L315 PolarHBondContact O-N 3.35Å; L315-E317 PolarHBondContact O-N 3.06Å; L315-G319 WeakPolarHBondContact O-CA 3.46Å; L315-G319 PolarHBondContact O-N 3.16Å; L315-M363 HydrophobicContact CD2-CE 4.18Å; L315-S367 WeakPolarHBondContact CD2-OG 3.34Å |
| 316 | R | 93.5 | Very high | 92.3 | Very high | 73 Ų | 73 | 21 Ų | 21 | 28% | 0.275 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -54.9 | -38.1 | 170 | -174.2 | -177.2 | 100.3 | 164.4 | 5 | 112 | R8 E12 S312 A314 | R8-R316 HydrophobicContact CB-CG 3.8Å; R8-R316 HydrophobicContact CG-CG 4.34Å; R8-R316 VanDerWaalsContact NH2-NH2 3.14Å; R8-R316 WeakPolarHBondContact O-CG 3.44Å; E12-R316 HydrophobicContact CB-CB 4.05Å; E12-R316 HydrophobicContact CB-CG 4.15Å; E12-R316 HydrophobicContact CG-CB 4.48Å; E12-R316 WeakPolarHBondContact OE2-CD 3.39Å; E12-R316 IonicContact OE2-NH1 2.66Å; E12-R316 PolarHBondContact OE2-NH1 2.9Å; S312-R316 VanDerWaalsContact O-CB 3.29Å; S312-R316 WeakPolarHBondContact O-CB 3.49Å; S312-R316 PolarHBondContact O-N 3.22Å; A314-R316 VanDerWaalsContact C-N 3.34Å; A314-R316 PolarHBondContact O-N 2.87Å |
| 317 | E | 87.6 | Confident | 92.3 | Very high | 48 Ų | 48 | 21 Ų | 21 | 22% | 0.224 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -92.6 | -50.8 | -176.1 | -60.4 | -61.4 | 144.9 | 0 | 0 | 112 | R8 L313 A314 L315 R715 | R8-E317 IonicContact CZ-OE1 3.69Å; R8-E317 IonicContact NE-OE1 3.65Å; R8-E317 IonicContact NH2-OE1 3.59Å; R8-E317 PolarHBondContact NH2-OE1 3.42Å; R8-E317 IonicContact NH2-OE2 3.86Å; L313-E317 WeakPolarHBondContact O-CG 3.47Å; L313-E317 PolarHBondContact O-N 3.46Å; A314-E317 PolarHBondContact O-N 2.99Å; A314-E317 VanDerWaalsContact O-N 3.08Å; L315-E317 PolarHBondContact O-N 3.06Å; E317-R715 IonicContact OE2-CZ 3.9Å; E317-R715 IonicContact OE2-NH1 3.11Å; E317-R715 PolarHBondContact OE2-NH1 3.26Å; E317-R715 IonicContact OE2-NH2 3.31Å; E317-R715 PolarHBondContact OE2-NH2 3.1Å |
| 318 | S | 91.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -76.3 | -35.8 | -179.3 | 64.6 | 0 | 0 | 0 | 0 | 112.9 | A314 V320 A321 I322 | A314-S318 PolarHBondContact O-N 3.48Å; A314-S318 PolarHBondContact O-OG 3.16Å; A314-S318 VanDerWaalsContact O-OG 3.09Å; S318-V320 VanDerWaalsContact C-N 3.34Å; S318-V320 PolarHBondContact O-N 3.37Å; S318-A321 PolarHBondContact O-N 3.28Å; S318-A321 VanDerWaalsContact O-N 3.09Å; S318-I322 WeakPolarHBondContact O-CB 3.38Å; S318-I322 VanDerWaalsContact O-CG1 3.28Å; S318-I322 WeakPolarHBondContact O-CG1 3.44Å; S318-I322 PolarHBondContact O-N 3.19Å |
| 319 | G | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L315 A321 T323 | L315-G319 WeakPolarHBondContact O-CA 3.46Å; L315-G319 PolarHBondContact O-N 3.16Å; G319-A321 VanDerWaalsContact C-N 3.35Å; G319-A321 PolarHBondContact O-N 3.09Å; G319-T323 WeakPolarHBondContact O-CB 3.19Å; G319-T323 PolarHBondContact O-N 3.31Å; G319-T323 PolarHBondContact O-OG1 3.12Å |
| 320 | V | 90.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 112 | D4 L7 R8 F11 S318 L324 F655 | D4-V320 WeakPolarHBondContact OD1-CG1 3.37Å; L7-V320 HydrophobicContact CB-CG2 3.95Å; R8-V320 HydrophobicContact CB-CG2 4.47Å; R8-V320 HydrophobicContact CG-CG2 3.61Å; F11-V320 HydrophobicContact CD2-CG2 3.7Å; F11-V320 HydrophobicContact CE2-CG2 4.11Å; S318-V320 VanDerWaalsContact C-N 3.34Å; S318-V320 PolarHBondContact O-N 3.37Å; V320-L324 PolarHBondContact O-N 2.91Å; V320-F655 HydrophobicContact CG1-CD1 3.79Å; V320-F655 HydrophobicContact CG1-CE1 4.01Å |
| 321 | A | 89 | Confident | 92.5 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 8% | 0.083 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -71.5 | -40.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L293 S318 G319 L324 T325 | L293-A321 HydrophobicContact CD2-CB 3.51Å; S318-A321 PolarHBondContact O-N 3.28Å; S318-A321 VanDerWaalsContact O-N 3.09Å; G319-A321 VanDerWaalsContact C-N 3.35Å; G319-A321 PolarHBondContact O-N 3.09Å; A321-L324 WeakPolarHBondContact O-CB 3.43Å; A321-L324 PolarHBondContact O-N 3.01Å; A321-T325 PolarHBondContact O-N 3.08Å; A321-T325 PolarHBondContact O-OG1 3.06Å |
| 322 | I | 91.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 173.6 | -69.1 | 167.9 | 0 | 0 | 0 | 110.7 | D290 L293 T294 S318 L324 T325 S326 Y359 M363 | D290-I322 HydrophobicContact CB-CD1 4.2Å; D290-I322 HydrophobicContact CB-CG1 4Å; D290-I322 HydrophobicContact CB-CG2 4.35Å; L293-I322 HydrophobicContact CD2-CG1 4.19Å; T294-I322 WeakPolarHBondContact OG1-CD1 3.33Å; S318-I322 WeakPolarHBondContact O-CB 3.38Å; S318-I322 VanDerWaalsContact O-CG1 3.28Å; S318-I322 WeakPolarHBondContact O-CG1 3.44Å; S318-I322 PolarHBondContact O-N 3.19Å; I322-L324 VanDerWaalsContact C-N 3.26Å; I322-L324 PolarHBondContact O-N 2.95Å; I322-T325 WeakPolarHBondContact CA-OG1 3.44Å; I322-T325 PolarHBondContact O-N 3.19Å; I322-T325 PolarHBondContact O-OG1 3.02Å; I322-S326 WeakPolarHBondContact O-CB 3.45Å; I322-S326 PolarHBondContact O-N 3.22Å; I322-S326 PolarHBondContact O-OG 3.4Å; I322-Y359 HydrophobicContact CG2-CD2 3.94Å; I322-Y359 HydrophobicContact CG2-CE2 4.17Å; I322-M363 HydrophobicContact CG2-SD 4.23Å |
| 323 | T | 92.7 | Very high | 92.3 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 6% | 0.061 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 175.4 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | F11 G319 M327 Y359 F655 | F11-T323 WeakPolarHBondContact CZ-OG1 3.39Å; G319-T323 WeakPolarHBondContact O-CB 3.19Å; G319-T323 PolarHBondContact O-N 3.31Å; G319-T323 PolarHBondContact O-OG1 3.12Å; T323-M327 HydrophobicContact CG2-CG 4.13Å; T323-M327 HydrophobicContact CG2-SD 3.78Å; T323-M327 VanDerWaalsContact O-CB 3.22Å; T323-M327 WeakPolarHBondContact O-CB 3.47Å; T323-M327 WeakPolarHBondContact O-CG 3.25Å; T323-M327 PolarHBondContact O-N 2.97Å; T323-Y359 HydrophobicContact CG2-CE2 4.49Å; T323-Y359 WeakPolarHBondContact OG1-CE2 3.41Å; T323-Y359 PolarHBondContact OG1-OH 2.89Å; T323-F655 HydrophobicContact CG2-CZ 4.31Å |
| 324 | L | 88.8 | Confident | 92.3 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.4 | -49.4 | 176.9 | 171.1 | 58.3 | 0 | 0 | 0 | 111.3 | V320 A321 I322 T328 F655 T707 | V320-L324 PolarHBondContact O-N 2.91Å; A321-L324 WeakPolarHBondContact O-CB 3.43Å; A321-L324 PolarHBondContact O-N 3.01Å; I322-L324 VanDerWaalsContact C-N 3.26Å; I322-L324 PolarHBondContact O-N 2.95Å; L324-T328 HydrophobicContact CD1-CG2 4.27Å; L324-T328 WeakPolarHBondContact O-CG2 3.41Å; L324-T328 PolarHBondContact O-N 3.49Å; L324-T328 PolarHBondContact O-OG1 3.33Å; L324-F655 HydrophobicContact CB-CD1 3.97Å; L324-F655 HydrophobicContact CB-CD2 4.33Å; L324-F655 HydrophobicContact CB-CE1 4Å; L324-F655 HydrophobicContact CB-CE2 4.35Å; L324-F655 HydrophobicContact CB-CG 4.13Å; L324-F655 HydrophobicContact CB-CZ 4.19Å; L324-F655 HydrophobicContact CD1-CB 4.19Å; L324-F655 HydrophobicContact CD1-CD2 3.5Å; L324-F655 VanDerWaalsContact CD1-CD2 3.5Å; L324-F655 HydrophobicContact CD1-CE2 3.89Å; L324-F655 HydrophobicContact CD1-CG 3.85Å; L324-F655 HydrophobicContact CD2-CB 3.88Å; L324-F655 HydrophobicContact CD2-CD1 4.48Å; L324-F655 HydrophobicContact CD2-CG 4.1Å; L324-F655 HydrophobicContact CG-CD2 4.33Å; L324-F655 HydrophobicContact CG-CG 4.25Å; L324-T707 HydrophobicContact CD2-CG2 3.43Å; L324-T707 VanDerWaalsContact CD2-CG2 3.43Å; L324-T707 HydrophobicContact CG-CG2 4.2Å |
| 325 | T | 90.3 | Very high | 92.4 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.3 | -54.5 | 178.2 | 47.6 | 0 | 0 | 0 | 0 | 111 | D290 A321 I322 M327 T328 D329 E704 H708 | D290-T325 PolarHBondContact OD1-OG1 3.36Å; A321-T325 PolarHBondContact O-N 3.08Å; A321-T325 PolarHBondContact O-OG1 3.06Å; I322-T325 WeakPolarHBondContact CA-OG1 3.44Å; I322-T325 PolarHBondContact O-N 3.19Å; I322-T325 PolarHBondContact O-OG1 3.02Å; T325-M327 PolarHBondContact O-N 3.33Å; T325-M327 VanDerWaalsContact O-N 3.1Å; T325-T328 WeakPolarHBondContact CA-OG1 3.38Å; T325-T328 WeakPolarHBondContact O-CA 3.24Å; T325-T328 PolarHBondContact O-N 3.48Å; T325-T328 PolarHBondContact O-OG1 2.93Å; T325-D329 PolarHBondContact O-N 3.08Å; T325-E704 HydrophobicContact CG2-CG 4.2Å; T325-H708 VanDerWaalsContact CG2-CE1 3.49Å; T325-H708 WeakPolarHBondContact CG2-CE1 3.49Å; T325-H708 WeakPolarHBondContact CG2-NE2 3.29Å |
| 326 | S | 93.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.4 | -35.3 | -179.3 | -52.8 | 0 | 0 | 0 | 0 | 113.5 | I322 I330 Y359 | I322-S326 WeakPolarHBondContact O-CB 3.45Å; I322-S326 PolarHBondContact O-N 3.22Å; I322-S326 PolarHBondContact O-OG 3.4Å; S326-I330 WeakPolarHBondContact O-CB 3.49Å; S326-I330 VanDerWaalsContact O-CD1 3.3Å; S326-I330 WeakPolarHBondContact O-CD1 3.17Å; S326-I330 WeakPolarHBondContact O-CG1 3.43Å; S326-I330 PolarHBondContact O-N 3.08Å; S326-Y359 WeakPolarHBondContact OG-CB 3.48Å; S326-Y359 VanDerWaalsContact OG-CD2 3.28Å; S326-Y359 WeakPolarHBondContact OG-CD2 3.39Å |
| 327 | M | 92.2 | Very high | 92.1 | Very high | 73 Ų | 73 | 18 Ų | 18 | 36% | 0.36 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -70.9 | -33.9 | 174.4 | -71.1 | -178.3 | 80.4 | 0 | 0 | 112.6 | T323 T325 A331 M651 F655 | T323-M327 HydrophobicContact CG2-CG 4.13Å; T323-M327 HydrophobicContact CG2-SD 3.78Å; T323-M327 VanDerWaalsContact O-CB 3.22Å; T323-M327 WeakPolarHBondContact O-CB 3.47Å; T323-M327 WeakPolarHBondContact O-CG 3.25Å; T323-M327 PolarHBondContact O-N 2.97Å; T325-M327 PolarHBondContact O-N 3.33Å; T325-M327 VanDerWaalsContact O-N 3.1Å; M327-A331 WeakPolarHBondContact O-CB 3.31Å; M327-A331 PolarHBondContact O-N 2.97Å; M327-A331 VanDerWaalsContact O-N 3.07Å; M327-M651 HydrophobicContact CB-CE 3.38Å; M327-M651 HydrophobicContact CE-CE 3.69Å; M327-M651 HydrophobicContact CG-CE 4.26Å; M327-M651 HydrophobicContact SD-CE 3.98Å; M327-F655 HydrophobicContact SD-CE2 4.48Å; M327-F655 HydrophobicContact SD-CZ 4.2Å |
| 328 | T | 92.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 172.7 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | L324 T325 A331 L332 L648 M651 | L324-T328 HydrophobicContact CD1-CG2 4.27Å; L324-T328 WeakPolarHBondContact O-CG2 3.41Å; L324-T328 PolarHBondContact O-N 3.49Å; L324-T328 PolarHBondContact O-OG1 3.33Å; T325-T328 WeakPolarHBondContact CA-OG1 3.38Å; T325-T328 WeakPolarHBondContact O-CA 3.24Å; T325-T328 PolarHBondContact O-N 3.48Å; T325-T328 PolarHBondContact O-OG1 2.93Å; T328-A331 PolarHBondContact O-N 3.31Å; T328-L332 VanDerWaalsContact O-CB 3.27Å; T328-L332 WeakPolarHBondContact O-CB 3.26Å; T328-L332 PolarHBondContact O-N 3.36Å; T328-L648 VanDerWaalsContact CB-CD2 3.48Å; T328-L648 HydrophobicContact CG2-CD2 3.71Å; T328-M651 HydrophobicContact CG2-CB 3.68Å; T328-M651 HydrophobicContact CG2-CG 4.27Å |
| 329 | D | 93.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.4 | -47.7 | -177 | -43 | -11 | 0 | 0 | 0 | 110.5 | I286 T325 A331 L332 F333 M355 D700 | I286-D329 WeakPolarHBondContact CG2-OD2 3.45Å; T325-D329 PolarHBondContact O-N 3.08Å; D329-A331 VanDerWaalsContact C-N 3.32Å; D329-A331 PolarHBondContact O-N 3.3Å; D329-L332 PolarHBondContact O-N 3.24Å; D329-F333 HydrophobicContact CB-CD2 4.41Å; D329-F333 HydrophobicContact CB-CE2 4.46Å; D329-F333 WeakPolarHBondContact O-CD2 3.25Å; D329-F333 PolarHBondContact O-N 3.26Å; D329-M355 HydrophobicContact CB-CB 4.15Å; D329-M355 HydrophobicContact CB-CG 3.87Å; D329-D700 VanDerWaalsContact CA-OD1 3.26Å; D329-D700 WeakPolarHBondContact CA-OD1 3.34Å |
| 330 | I | 94.9 | Very high | 91.9 | Very high | 50 Ų | 50 | 25.1 Ų | 25.1 | 26% | 0.256 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.2 | -66.3 | 164.1 | 0 | 0 | 0 | 110.5 | S326 S334 M355 A356 | S326-I330 WeakPolarHBondContact O-CB 3.49Å; S326-I330 VanDerWaalsContact O-CD1 3.3Å; S326-I330 WeakPolarHBondContact O-CD1 3.17Å; S326-I330 WeakPolarHBondContact O-CG1 3.43Å; S326-I330 PolarHBondContact O-N 3.08Å; I330-S334 WeakPolarHBondContact O-CB 3.44Å; I330-S334 PolarHBondContact O-N 2.96Å; I330-S334 PolarHBondContact O-OG 3.29Å; I330-M355 HydrophobicContact CG1-CB 4.12Å; I330-A356 HydrophobicContact CD1-CB 3.96Å; I330-A356 HydrophobicContact CG1-CB 4.32Å |
| 331 | A | 93.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 25.1 Ų | 25.1 | 19% | 0.19 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M327 T328 D329 S334 I335 | M327-A331 WeakPolarHBondContact O-CB 3.31Å; M327-A331 PolarHBondContact O-N 2.97Å; M327-A331 VanDerWaalsContact O-N 3.07Å; T328-A331 PolarHBondContact O-N 3.31Å; D329-A331 VanDerWaalsContact C-N 3.32Å; D329-A331 PolarHBondContact O-N 3.3Å; A331-S334 WeakPolarHBondContact O-CB 3.39Å; A331-S334 PolarHBondContact O-N 2.89Å; A331-I335 WeakPolarHBondContact O-CG1 3.41Å; A331-I335 PolarHBondContact O-N 3.4Å; A331-I335 VanDerWaalsContact O-N 3.1Å |
| 332 | L | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68 | -48.1 | -179 | -177 | 67.7 | 0 | 0 | 0 | 112.1 | T328 D329 S334 I335 G336 L648 L696 L699 D700 | T328-L332 VanDerWaalsContact O-CB 3.27Å; T328-L332 WeakPolarHBondContact O-CB 3.26Å; T328-L332 PolarHBondContact O-N 3.36Å; D329-L332 PolarHBondContact O-N 3.24Å; L332-S334 VanDerWaalsContact C-N 3.25Å; L332-S334 PolarHBondContact O-N 3.16Å; L332-I335 WeakPolarHBondContact O-CB 3.24Å; L332-I335 PolarHBondContact O-N 2.88Å; L332-I335 VanDerWaalsContact O-N 3.08Å; L332-G336 PolarHBondContact O-N 3.22Å; L332-L648 HydrophobicContact CB-CD2 4.38Å; L332-L648 HydrophobicContact CD1-CD1 4.1Å; L332-L648 HydrophobicContact CD1-CG 4.38Å; L332-L648 HydrophobicContact CD2-CD1 4.33Å; L332-L696 HydrophobicContact CD1-CD1 3.61Å; L332-L696 HydrophobicContact CD1-CG 4.43Å; L332-L696 WeakPolarHBondContact CD2-O 3.31Å; L332-L696 HydrophobicContact CG-CD1 4Å; L332-L696 HydrophobicContact CG-CG 4.31Å; L332-L699 HydrophobicContact CD1-CB 4.16Å; L332-L699 HydrophobicContact CD1-CD1 4.02Å; L332-L699 HydrophobicContact CD2-CB 3.94Å; L332-D700 HydrophobicContact CD2-CB 3.51Å; L332-D700 WeakPolarHBondContact CD2-OD1 3.33Å |
| 333 | F | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.2 | -27.2 | 175.4 | -70.7 | -63.9 | 0 | 0 | 0 | 111.7 | L282 I286 D329 I335 G336 F347 S348 T351 A352 M355 D700 | L282-F333 HydrophobicContact CD2-CE1 4.46Å; L282-F333 HydrophobicContact CD2-CZ 4.12Å; I286-F333 HydrophobicContact CD1-CE2 4.42Å; I286-F333 HydrophobicContact CD1-CZ 4.49Å; D329-F333 HydrophobicContact CB-CD2 4.41Å; D329-F333 HydrophobicContact CB-CE2 4.46Å; D329-F333 WeakPolarHBondContact O-CD2 3.25Å; D329-F333 PolarHBondContact O-N 3.26Å; F333-I335 VanDerWaalsContact C-N 3.3Å; F333-I335 PolarHBondContact O-N 3.23Å; F333-G336 PolarHBondContact O-N 3.2Å; F333-G336 VanDerWaalsContact O-N 3.16Å; F333-F347 HydrophobicContact CE1-CE1 4.33Å; F333-S348 WeakPolarHBondContact O-CB 3.41Å; F333-T351 HydrophobicContact CD1-CG2 3.87Å; F333-T351 HydrophobicContact CD2-CG2 3.66Å; F333-T351 HydrophobicContact CE1-CG2 3.68Å; F333-T351 HydrophobicContact CE2-CG2 3.48Å; F333-T351 VanDerWaalsContact CE2-CG2 3.48Å; F333-T351 HydrophobicContact CG-CG2 3.88Å; F333-T351 HydrophobicContact CZ-CG2 3.5Å; F333-T351 VanDerWaalsContact CZ-CG2 3.5Å; F333-A352 HydrophobicContact CB-CB 3.78Å; F333-M355 HydrophobicContact CD2-CG 4.37Å; F333-M355 HydrophobicContact CE2-CE 4.15Å; F333-M355 HydrophobicContact CE2-CG 4.47Å; F333-D700 VanDerWaalsContact CE2-OD2 3.31Å; F333-D700 WeakPolarHBondContact CE2-OD2 3.43Å |
| 334 | S | 94.6 | Very high | 91.8 | Very high | 49 Ų | 49 | 25.6 Ų | 25.6 | 34% | 0.343 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.6 | -31.9 | 170 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | I330 A331 L332 G336 L337 | I330-S334 WeakPolarHBondContact O-CB 3.44Å; I330-S334 PolarHBondContact O-N 2.96Å; I330-S334 PolarHBondContact O-OG 3.29Å; A331-S334 WeakPolarHBondContact O-CB 3.39Å; A331-S334 PolarHBondContact O-N 2.89Å; L332-S334 VanDerWaalsContact C-N 3.25Å; L332-S334 PolarHBondContact O-N 3.16Å; S334-G336 PolarHBondContact O-N 3.06Å; S334-L337 VanDerWaalsContact O-CB 3.25Å; S334-L337 WeakPolarHBondContact O-CB 3.13Å; S334-L337 WeakPolarHBondContact O-CG 3.12Å; S334-L337 PolarHBondContact O-N 3.22Å; S334-L337 VanDerWaalsContact O-N 3.16Å |
| 335 | I | 93.8 | Very high | 92 | Very high | 20 Ų | 20 | 28.1 Ų | 28.1 | 10% | 0.103 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -28.8 | 173.7 | -70.9 | 162.4 | 0 | 0 | 0 | 111.4 | A331 L332 F333 L337 L338 A643 | A331-I335 WeakPolarHBondContact O-CG1 3.41Å; A331-I335 PolarHBondContact O-N 3.4Å; A331-I335 VanDerWaalsContact O-N 3.1Å; L332-I335 WeakPolarHBondContact O-CB 3.24Å; L332-I335 PolarHBondContact O-N 2.88Å; L332-I335 VanDerWaalsContact O-N 3.08Å; F333-I335 VanDerWaalsContact C-N 3.3Å; F333-I335 PolarHBondContact O-N 3.23Å; I335-L337 PolarHBondContact O-N 3.03Å; I335-L337 VanDerWaalsContact O-N 3.13Å; I335-L338 HydrophobicContact CG2-CD1 4.4Å; I335-L338 VanDerWaalsContact O-CB 3.28Å; I335-L338 WeakPolarHBondContact O-CB 3.42Å; I335-L338 PolarHBondContact O-N 3.21Å; I335-A643 HydrophobicContact CG2-CB 3.89Å |
| 336 | G | 91.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -58.7 | -22.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L332 F333 S334 L338 S339 | L332-G336 PolarHBondContact O-N 3.22Å; F333-G336 PolarHBondContact O-N 3.2Å; F333-G336 VanDerWaalsContact O-N 3.16Å; S334-G336 PolarHBondContact O-N 3.06Å; G336-L338 PolarHBondContact O-N 2.81Å; G336-S339 VanDerWaalsContact O-CB 3.32Å; G336-S339 WeakPolarHBondContact O-CB 3.28Å; G336-S339 PolarHBondContact O-N 3.16Å |
| 337 | L | 92.8 | Very high | 92.2 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 37% | 0.372 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -69.4 | -18.8 | 173.6 | -56.3 | 176.8 | 0 | 0 | 0 | 113.2 | S334 I335 S339 Q345 L349 | S334-L337 VanDerWaalsContact O-CB 3.25Å; S334-L337 WeakPolarHBondContact O-CB 3.13Å; S334-L337 WeakPolarHBondContact O-CG 3.12Å; S334-L337 PolarHBondContact O-N 3.22Å; S334-L337 VanDerWaalsContact O-N 3.16Å; I335-L337 PolarHBondContact O-N 3.03Å; I335-L337 VanDerWaalsContact O-N 3.13Å; L337-S339 PolarHBondContact O-N 2.83Å; L337-Q345 HydrophobicContact CD2-CB 4.44Å; L337-Q345 WeakPolarHBondContact CD2-O 3.34Å; L337-L349 HydrophobicContact CD2-CB 3.96Å |
| 338 | L | 90.3 | Very high | 92.3 | Very high | 111 Ų | 111 | 25.7 Ų | 25.7 | 58% | 0.581 | 14% | 0.14 | S | C | * | . | G | 310 helix | trans | -77 | -11.9 | 174.9 | -58.9 | 178.2 | 0 | 0 | 0 | 112.8 | I335 G336 | I335-L338 HydrophobicContact CG2-CD1 4.4Å; I335-L338 VanDerWaalsContact O-CB 3.28Å; I335-L338 WeakPolarHBondContact O-CB 3.42Å; I335-L338 PolarHBondContact O-N 3.21Å; G336-L338 PolarHBondContact O-N 2.81Å |
| 339 | S | 89.4 | Confident | 92.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -64.1 | 138.4 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | G336 L337 M341 Q345 | G336-S339 VanDerWaalsContact O-CB 3.32Å; G336-S339 WeakPolarHBondContact O-CB 3.28Å; G336-S339 PolarHBondContact O-N 3.16Å; L337-S339 PolarHBondContact O-N 2.83Å; S339-M341 PolarHBondContact O-N 3.14Å; S339-M341 PolarHBondContact OG-N 3.43Å; S339-Q345 VanDerWaalsContact O-CG 3.28Å; S339-Q345 WeakPolarHBondContact O-CG 2.89Å; S339-Q345 PolarHBondContact O-NE2 2.88Å |
| 340 | E | 88.1 | Confident | 92.5 | Very high | 88 Ų | 88 | 28 Ų | 28 | 41% | 0.411 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -67 | -16 | 174.3 | -61.8 | 177.2 | 175 | 0 | 0 | 112.5 | P55 H56 P342 S632 | P55-E340 CarbonylContact C-O 3.55Å; P55-E340 WeakPolarHBondContact CA-O 3.32Å; P55-E340 HydrophobicContact CB-CB 3.87Å; H56-E340 PolarHBondContact N-O 3.29Å; E340-P342 WeakPolarHBondContact O-CD 3.49Å; E340-S632 VanDerWaalsContact OE2-CB 3.29Å; E340-S632 WeakPolarHBondContact OE2-CB 3.31Å |
| 341 | M | 88.3 | Confident | 92.5 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | trans | -91.4 | 119.1 | -174.4 | -69.5 | -175 | 159.4 | 0 | 0 | 112.9 | P55 S339 A343 I344 Q345 Q629 L633 P689 | P55-M341 HydrophobicContact CG-CE 4.43Å; S339-M341 PolarHBondContact O-N 3.14Å; S339-M341 PolarHBondContact OG-N 3.43Å; M341-A343 VanDerWaalsContact C-N 3.31Å; M341-A343 PolarHBondContact O-N 3.2Å; M341-I344 HydrophobicContact CB-CB 4.37Å; M341-I344 HydrophobicContact CB-CD1 4.03Å; M341-I344 HydrophobicContact CB-CG1 3.95Å; M341-I344 WeakPolarHBondContact O-CB 3.46Å; M341-I344 PolarHBondContact O-N 3.04Å; M341-I344 HydrophobicContact SD-CD1 4.08Å; M341-Q345 PolarHBondContact O-N 2.96Å; M341-Q345 VanDerWaalsContact O-N 3.11Å; M341-Q629 HydrophobicContact CE-CB 4.48Å; M341-Q629 HydrophobicContact CE-CG 3.39Å; M341-L633 HydrophobicContact CE-CB 4.31Å; M341-L633 HydrophobicContact CE-CD1 4.02Å; M341-L633 HydrophobicContact SD-CD1 3.86Å; M341-P689 HydrophobicContact CE-CG 3.85Å; M341-P689 HydrophobicContact SD-CB 3.67Å; M341-P689 HydrophobicContact SD-CG 3.48Å; M341-P689 WeakPolarHBondContact SD-CG 3.31Å | ||
| 342 | P | 90.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 25 Ų | 25 | 18% | 0.175 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.3 | -36.4 | -178.2 | -29.3 | 38.3 | 0 | 0 | 0 | 114.3 | K51 T54 E340 I344 Q345 V346 | K51-P342 WeakPolarHBondContact O-CG 3.28Å; T54-P342 WeakPolarHBondContact O-CD 3.48Å; E340-P342 WeakPolarHBondContact O-CD 3.49Å; P342-I344 PolarHBondContact O-N 2.96Å; P342-Q345 PolarHBondContact O-N 2.66Å; P342-V346 WeakPolarHBondContact O-CB 3.38Å; P342-V346 VanDerWaalsContact O-CG2 3.32Å; P342-V346 WeakPolarHBondContact O-CG2 3.5Å; P342-V346 PolarHBondContact O-N 3.1Å |
| 343 | A | 89.8 | Confident | 92.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.9 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L52 Y53 M341 F347 | L52-A343 HydrophobicContact CB-CB 4.27Å; L52-A343 VanDerWaalsContact O-CB 3.23Å; L52-A343 WeakPolarHBondContact O-CB 3.34Å; L52-A343 PolarHBondContact O-N 3.38Å; Y53-A343 HydrophobicContact CD1-CB 4.11Å; Y53-A343 HydrophobicContact CE1-CB 3.85Å; M341-A343 VanDerWaalsContact C-N 3.31Å; M341-A343 PolarHBondContact O-N 3.2Å; A343-F347 VanDerWaalsContact O-CB 3.27Å; A343-F347 WeakPolarHBondContact O-CB 3.37Å; A343-F347 PolarHBondContact O-N 2.59Å; A343-F347 VanDerWaalsContact O-N 3.14Å |
| 344 | I | 91.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.9 | -43.9 | 179.6 | -56 | -173 | 0 | 0 | 0 | 109.9 | M341 P342 V346 F347 S348 P689 M692 I693 | M341-I344 HydrophobicContact CB-CB 4.37Å; M341-I344 HydrophobicContact CB-CD1 4.03Å; M341-I344 HydrophobicContact CB-CG1 3.95Å; M341-I344 WeakPolarHBondContact O-CB 3.46Å; M341-I344 PolarHBondContact O-N 3.04Å; M341-I344 HydrophobicContact SD-CD1 4.08Å; P342-I344 PolarHBondContact O-N 2.96Å; I344-V346 PolarHBondContact O-N 3.28Å; I344-F347 PolarHBondContact O-N 3.42Å; I344-S348 VanDerWaalsContact O-CB 3.31Å; I344-S348 WeakPolarHBondContact O-CB 3.43Å; I344-S348 PolarHBondContact O-N 2.93Å; I344-S348 PolarHBondContact O-OG 3.17Å; I344-P689 HydrophobicContact CD1-CB 4.3Å; I344-M692 HydrophobicContact CD1-CB 4.07Å; I344-M692 HydrophobicContact CD1-CE 3.94Å; I344-M692 HydrophobicContact CD1-CG 3.9Å; I344-M692 HydrophobicContact CD1-SD 3.28Å; I344-M692 WeakPolarHBondContact CD1-SD 3.33Å; I344-I693 HydrophobicContact CB-CG1 4.27Å; I344-I693 HydrophobicContact CD1-CG1 4.44Å; I344-I693 HydrophobicContact CG1-CD1 4.07Å; I344-I693 HydrophobicContact CG1-CG1 3.88Å; I344-I693 HydrophobicContact CG2-CG1 4.05Å |
| 345 | Q | 93.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 23.6 Ų | 23.6 | 27% | 0.266 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -57.3 | -50.9 | 176.4 | -65.2 | 177.2 | -15.8 | 0 | 0 | 111.1 | L337 S339 M341 P342 S348 L349 | L337-Q345 HydrophobicContact CD2-CB 4.44Å; L337-Q345 WeakPolarHBondContact CD2-O 3.34Å; S339-Q345 VanDerWaalsContact O-CG 3.28Å; S339-Q345 WeakPolarHBondContact O-CG 2.89Å; S339-Q345 PolarHBondContact O-NE2 2.88Å; M341-Q345 PolarHBondContact O-N 2.96Å; M341-Q345 VanDerWaalsContact O-N 3.11Å; P342-Q345 PolarHBondContact O-N 2.66Å; Q345-S348 PolarHBondContact O-N 3Å; Q345-L349 WeakPolarHBondContact O-CB 3.41Å; Q345-L349 PolarHBondContact O-N 3.34Å |
| 346 | V | 93.6 | Very high | 93 | Very high | 27 Ų | 27 | 24.2 Ų | 24.2 | 16% | 0.164 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.7 | -46.2 | -179.7 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | I270 I276 P342 I344 S348 L349 Y350 | I270-V346 HydrophobicContact CG2-CG1 4.12Å; I276-V346 HydrophobicContact CD1-CG1 3.62Å; I276-V346 HydrophobicContact CG1-CG1 4.32Å; P342-V346 WeakPolarHBondContact O-CB 3.38Å; P342-V346 VanDerWaalsContact O-CG2 3.32Å; P342-V346 WeakPolarHBondContact O-CG2 3.5Å; P342-V346 PolarHBondContact O-N 3.1Å; I344-V346 PolarHBondContact O-N 3.28Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 2.85Å; V346-L349 PolarHBondContact O-N 2.97Å; V346-Y350 HydrophobicContact CG1-CD2 3.78Å; V346-Y350 HydrophobicContact CG1-CE2 3.75Å; V346-Y350 VanDerWaalsContact O-CD2 3.31Å; V346-Y350 WeakPolarHBondContact O-CD2 3.24Å; V346-Y350 PolarHBondContact O-N 2.8Å |
| 347 | F | 93.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.8 | -45.7 | 176 | 177 | -84.9 | 0 | 0 | 0 | 111.9 | A278 V279 L282 F333 A343 I344 Y350 T351 I693 F761 | A278-F347 HydrophobicContact CB-CE2 4.5Å; V279-F347 HydrophobicContact CG2-CD2 3.73Å; V279-F347 HydrophobicContact CG2-CE2 3.55Å; V279-F347 HydrophobicContact CG2-CZ 4.21Å; L282-F347 HydrophobicContact CD2-CE1 4.35Å; L282-F347 HydrophobicContact CD2-CZ 3.92Å; F333-F347 HydrophobicContact CE1-CE1 4.33Å; A343-F347 VanDerWaalsContact O-CB 3.27Å; A343-F347 WeakPolarHBondContact O-CB 3.37Å; A343-F347 PolarHBondContact O-N 2.59Å; A343-F347 VanDerWaalsContact O-N 3.14Å; I344-F347 PolarHBondContact O-N 3.42Å; F347-Y350 PolarHBondContact O-N 2.59Å; F347-T351 WeakPolarHBondContact CE1-OG1 3.44Å; F347-T351 PolarHBondContact O-N 3.37Å; F347-T351 PolarHBondContact O-OG1 3.31Å; F347-I693 HydrophobicContact CB-CD1 4.01Å; F347-I693 HydrophobicContact CD1-CB 4.48Å; F347-I693 HydrophobicContact CD1-CD1 4.3Å; F347-I693 HydrophobicContact CD1-CG1 4.28Å; F347-I693 HydrophobicContact CD1-CG2 3.41Å; F347-I693 VanDerWaalsContact CD1-CG2 3.41Å; F347-I693 HydrophobicContact CD2-CD1 4.45Å; F347-I693 HydrophobicContact CD2-CG2 4.32Å; F347-I693 HydrophobicContact CE1-CG2 3.2Å; F347-I693 HydrophobicContact CE2-CG2 4.13Å; F347-I693 HydrophobicContact CG-CD1 3.99Å; F347-I693 HydrophobicContact CG-CG1 4.47Å; F347-I693 HydrophobicContact CG-CG2 3.99Å; F347-I693 HydrophobicContact CZ-CG2 3.59Å; F347-F761 HydrophobicContact CE2-CE1 4.38Å; F347-F761 HydrophobicContact CE2-CZ 4.04Å; F347-F761 HydrophobicContact CZ-CE1 4.2Å; F347-F761 HydrophobicContact CZ-CZ 4.25Å |
| 348 | S | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.6 | -35.3 | -176.4 | -47 | 0 | 0 | 0 | 0 | 111.4 | F333 I344 Q345 V346 T351 A352 | F333-S348 WeakPolarHBondContact O-CB 3.41Å; I344-S348 VanDerWaalsContact O-CB 3.31Å; I344-S348 WeakPolarHBondContact O-CB 3.43Å; I344-S348 PolarHBondContact O-N 2.93Å; I344-S348 PolarHBondContact O-OG 3.17Å; Q345-S348 PolarHBondContact O-N 3Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 2.85Å; S348-T351 PolarHBondContact O-N 3.32Å; S348-A352 VanDerWaalsContact O-CB 3.27Å; S348-A352 WeakPolarHBondContact O-CB 3.43Å; S348-A352 PolarHBondContact O-N 2.85Å |
| 349 | L | 95.3 | Very high | 93.7 | Very high | 57 Ų | 57 | 19.7 Ų | 19.7 | 30% | 0.298 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 173.3 | -174.2 | 57.9 | 0 | 0 | 0 | 112.4 | L265 I270 L337 Q345 V346 T351 A352 A353 | L265-L349 HydrophobicContact CD1-CG 4.37Å; L265-L349 HydrophobicContact CD2-CD1 4.47Å; L265-L349 HydrophobicContact CD2-CD2 4.06Å; L265-L349 HydrophobicContact CD2-CG 3.92Å; I270-L349 HydrophobicContact CD1-CD2 3.62Å; L337-L349 HydrophobicContact CD2-CB 3.96Å; Q345-L349 WeakPolarHBondContact O-CB 3.41Å; Q345-L349 PolarHBondContact O-N 3.34Å; V346-L349 PolarHBondContact O-N 2.97Å; L349-T351 VanDerWaalsContact C-N 3.29Å; L349-T351 PolarHBondContact O-N 3.02Å; L349-A352 PolarHBondContact O-N 3.04Å; L349-A353 WeakPolarHBondContact O-CB 3.23Å; L349-A353 PolarHBondContact O-N 3.21Å |
| 350 | Y | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 176.4 | -89.1 | -96.4 | 0 | 0 | 0 | 112.3 | S261 V262 L265 I270 L272 I276 V346 F347 A354 | S261-Y350 PolarHBondContact OG-O 3.38Å; V262-Y350 HydrophobicContact CB-CE1 4.37Å; V262-Y350 HydrophobicContact CG1-CE1 4.4Å; V262-Y350 HydrophobicContact CG2-CD1 4.14Å; V262-Y350 HydrophobicContact CG2-CE1 4.2Å; L265-Y350 HydrophobicContact CB-CD1 4.46Å; L265-Y350 HydrophobicContact CB-CE1 3.87Å; L265-Y350 HydrophobicContact CB-CE2 4.06Å; L265-Y350 VanDerWaalsContact CD1-CA 3.45Å; L265-Y350 HydrophobicContact CD1-CD1 3.55Å; L265-Y350 HydrophobicContact CD1-CD2 3.6Å; L265-Y350 HydrophobicContact CD1-CE1 3.83Å; L265-Y350 HydrophobicContact CD1-CE2 3.88Å; L265-Y350 HydrophobicContact CD1-CG 3.44Å; L265-Y350 VanDerWaalsContact CD1-CG 3.44Å; L265-Y350 HydrophobicContact CG-CE1 4.49Å; I270-Y350 HydrophobicContact CG2-CE2 3.81Å; I270-Y350 PolarHBondContact O-OH 2.83Å; L272-Y350 HydrophobicContact CD2-CE1 3.66Å; I276-Y350 HydrophobicContact CD1-CD2 3.74Å; I276-Y350 HydrophobicContact CD1-CE2 3.59Å; I276-Y350 HydrophobicContact CD1-CG 4.26Å; I276-Y350 HydrophobicContact CG1-CD2 4.11Å; I276-Y350 HydrophobicContact CG1-CE2 4.44Å; I276-Y350 HydrophobicContact CG1-CG 4.27Å; I276-Y350 HydrophobicContact CG2-CD1 3.89Å; I276-Y350 HydrophobicContact CG2-CE1 4.22Å; I276-Y350 HydrophobicContact CG2-CG 4.11Å; V346-Y350 HydrophobicContact CG1-CD2 3.78Å; V346-Y350 HydrophobicContact CG1-CE2 3.75Å; V346-Y350 VanDerWaalsContact O-CD2 3.31Å; V346-Y350 WeakPolarHBondContact O-CD2 3.24Å; V346-Y350 PolarHBondContact O-N 2.8Å; F347-Y350 PolarHBondContact O-N 2.59Å; Y350-A354 WeakPolarHBondContact O-CB 3.41Å; Y350-A354 PolarHBondContact O-N 3.42Å |
| 351 | T | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -73.4 | -45.6 | -179.4 | -48.9 | 0 | 0 | 0 | 0 | 111 | L282 F333 F347 S348 L349 A353 A354 M355 | L282-T351 HydrophobicContact CD2-CG2 4.26Å; F333-T351 HydrophobicContact CD1-CG2 3.87Å; F333-T351 HydrophobicContact CD2-CG2 3.66Å; F333-T351 HydrophobicContact CE1-CG2 3.68Å; F333-T351 HydrophobicContact CE2-CG2 3.48Å; F333-T351 VanDerWaalsContact CE2-CG2 3.48Å; F333-T351 HydrophobicContact CG-CG2 3.88Å; F333-T351 HydrophobicContact CZ-CG2 3.5Å; F333-T351 VanDerWaalsContact CZ-CG2 3.5Å; F347-T351 WeakPolarHBondContact CE1-OG1 3.44Å; F347-T351 PolarHBondContact O-N 3.37Å; F347-T351 PolarHBondContact O-OG1 3.31Å; S348-T351 PolarHBondContact O-N 3.32Å; L349-T351 VanDerWaalsContact C-N 3.29Å; L349-T351 PolarHBondContact O-N 3.02Å; T351-A353 VanDerWaalsContact C-N 3.33Å; T351-A353 PolarHBondContact O-N 3.41Å; T351-A354 WeakPolarHBondContact O-CB 3.39Å; T351-A354 PolarHBondContact O-N 3.06Å; T351-M355 HydrophobicContact CG2-CE 3.64Å; T351-M355 WeakPolarHBondContact O-CG 3.48Å; T351-M355 PolarHBondContact O-N 2.93Å |
| 352 | A | 95.7 | Very high | 94.8 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 8% | 0.083 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F333 S348 L349 M355 A356 | F333-A352 HydrophobicContact CB-CB 3.78Å; S348-A352 VanDerWaalsContact O-CB 3.27Å; S348-A352 WeakPolarHBondContact O-CB 3.43Å; S348-A352 PolarHBondContact O-N 2.85Å; L349-A352 PolarHBondContact O-N 3.04Å; A352-M355 PolarHBondContact O-N 2.85Å; A352-A356 WeakPolarHBondContact O-CB 3.31Å; A352-A356 PolarHBondContact O-N 3.22Å |
| 353 | A | 96.3 | Very high | 95 | Very high | 17 Ų | 17 | 18.4 Ų | 18.4 | 14% | 0.14 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | S261 L265 L349 T351 A356 F357 | S261-A353 WeakPolarHBondContact OG-CB 3.38Å; L265-A353 HydrophobicContact CD1-CB 4.03Å; L349-A353 WeakPolarHBondContact O-CB 3.23Å; L349-A353 PolarHBondContact O-N 3.21Å; T351-A353 VanDerWaalsContact C-N 3.33Å; T351-A353 PolarHBondContact O-N 3.41Å; A353-A356 PolarHBondContact O-N 3.37Å; A353-F357 VanDerWaalsContact O-CD2 3.23Å; A353-F357 WeakPolarHBondContact O-CD2 3.46Å; A353-F357 PolarHBondContact O-N 3.14Å |
| 354 | A | 96.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 2% | 0.017 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S261 A283 Y350 T351 F357 D358 | S261-A354 PolarHBondContact OG-N 3.02Å; A283-A354 HydrophobicContact CB-CB 4.02Å; Y350-A354 WeakPolarHBondContact O-CB 3.41Å; Y350-A354 PolarHBondContact O-N 3.42Å; T351-A354 WeakPolarHBondContact O-CB 3.39Å; T351-A354 PolarHBondContact O-N 3.06Å; A354-F357 PolarHBondContact O-N 3.34Å; A354-D358 WeakPolarHBondContact O-CB 3.33Å; A354-D358 PolarHBondContact O-N 2.79Å |
| 355 | M | 95.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67 | -36.3 | 177.4 | -57.2 | -45 | 171.3 | 0 | 0 | 112.4 | A283 I286 D329 I330 F333 T351 A352 D358 Y359 | A283-M355 HydrophobicContact CB-CE 4.29Å; I286-M355 HydrophobicContact CB-CE 3.83Å; I286-M355 HydrophobicContact CB-SD 4.25Å; I286-M355 HydrophobicContact CD1-CE 3.45Å; I286-M355 VanDerWaalsContact CD1-CE 3.45Å; I286-M355 HydrophobicContact CG1-CE 4.21Å; I286-M355 HydrophobicContact CG2-CE 3.95Å; I286-M355 HydrophobicContact CG2-SD 3.89Å; D329-M355 HydrophobicContact CB-CB 4.15Å; D329-M355 HydrophobicContact CB-CG 3.87Å; I330-M355 HydrophobicContact CG1-CB 4.12Å; F333-M355 HydrophobicContact CD2-CG 4.37Å; F333-M355 HydrophobicContact CE2-CE 4.15Å; F333-M355 HydrophobicContact CE2-CG 4.47Å; T351-M355 HydrophobicContact CG2-CE 3.64Å; T351-M355 WeakPolarHBondContact O-CG 3.48Å; T351-M355 PolarHBondContact O-N 2.93Å; A352-M355 PolarHBondContact O-N 2.85Å; M355-D358 PolarHBondContact O-N 3.43Å; M355-Y359 WeakPolarHBondContact O-CB 3.32Å; M355-Y359 PolarHBondContact O-N 3.2Å |
| 356 | A | 96.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 17 Ų | 17 | 27% | 0.273 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -62.4 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I330 A352 A353 I360 | I330-A356 HydrophobicContact CD1-CB 3.96Å; I330-A356 HydrophobicContact CG1-CB 4.32Å; A352-A356 WeakPolarHBondContact O-CB 3.31Å; A352-A356 PolarHBondContact O-N 3.22Å; A353-A356 PolarHBondContact O-N 3.37Å; A356-I360 WeakPolarHBondContact O-CD1 3.34Å; A356-I360 VanDerWaalsContact O-CG1 3.25Å; A356-I360 WeakPolarHBondContact O-CG1 3.45Å; A356-I360 PolarHBondContact O-N 3.02Å |
| 357 | F | 97 | Very high | 95.7 | Very high | 21 Ų | 21 | 15.8 Ų | 15.8 | 9% | 0.092 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.7 | -37.8 | 174.3 | -81.3 | -65.5 | 0 | 0 | 0 | 112.7 | F36 A257 L264 A353 A354 I360 Y361 | F36-F357 AromaticContact CD2-CE1 3.74Å; F36-F357 HydrophobicContact CD2-CE1 3.74Å; F36-F357 AromaticContact CD2-CZ 3.62Å; F36-F357 HydrophobicContact CD2-CZ 3.62Å; F36-F357 AromaticContact CE2-CE1 3.53Å; F36-F357 HydrophobicContact CE2-CE1 3.53Å; F36-F357 AromaticContact CE2-CZ 3.49Å; F36-F357 HydrophobicContact CE2-CZ 3.49Å; F36-F357 VanDerWaalsContact CE2-CZ 3.49Å; F36-F357 HydrophobicContact CG-CZ 4.37Å; F36-F357 HydrophobicContact CZ-CZ 4.17Å; A257-F357 HydrophobicContact CB-CB 3.83Å; L264-F357 HydrophobicContact CB-CE2 4.26Å; L264-F357 HydrophobicContact CD2-CE2 3.81Å; L264-F357 HydrophobicContact CD2-CZ 3.99Å; A353-F357 VanDerWaalsContact O-CD2 3.23Å; A353-F357 WeakPolarHBondContact O-CD2 3.46Å; A353-F357 PolarHBondContact O-N 3.14Å; A354-F357 PolarHBondContact O-N 3.34Å; F357-I360 PolarHBondContact O-N 2.92Å; F357-Y361 HydrophobicContact CB-CE2 4.49Å; F357-Y361 HydrophobicContact CD1-CE1 4.45Å; F357-Y361 HydrophobicContact CD1-CE2 4.49Å; F357-Y361 WeakPolarHBondContact O-CB 3.45Å; F357-Y361 VanDerWaalsContact O-CG 3.31Å; F357-Y361 PolarHBondContact O-N 2.93Å |
| 358 | D | 96.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 3% | 0.032 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 178.2 | -168.4 | 80.5 | 0 | 0 | 0 | 110 | S254 A257 G287 A354 M355 I360 Y361 Q362 | S254-D358 VanDerWaalsContact CA-OD1 3.31Å; S254-D358 WeakPolarHBondContact CA-OD1 3.32Å; S254-D358 WeakPolarHBondContact CB-OD1 3.33Å; S254-D358 PolarHBondContact OG-OD1 3.44Å; A257-D358 HydrophobicContact CB-CB 3.85Å; G287-D358 WeakPolarHBondContact CA-OD2 3.28Å; A354-D358 WeakPolarHBondContact O-CB 3.33Å; A354-D358 PolarHBondContact O-N 2.79Å; M355-D358 PolarHBondContact O-N 3.43Å; D358-I360 PolarHBondContact O-N 3.29Å; D358-Y361 CarbonylContact O-C 3.59Å; D358-Y361 PolarHBondContact O-N 3.42Å; D358-Y361 VanDerWaalsContact O-N 3.09Å; D358-Q362 WeakPolarHBondContact O-CB 3.46Å; D358-Q362 VanDerWaalsContact O-CG 3.28Å; D358-Q362 WeakPolarHBondContact O-CG 3.46Å; D358-Q362 PolarHBondContact O-N 3.03Å |
| 359 | Y | 95.9 | Very high | 95.9 | Very high | 59 Ų | 59 | 16.6 Ų | 16.6 | 23% | 0.231 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -52.6 | -49.6 | 172.7 | 176.3 | -115.3 | 0 | 0 | 0 | 113.1 | I322 T323 S326 M355 Y361 Q362 M363 | I322-Y359 HydrophobicContact CG2-CD2 3.94Å; I322-Y359 HydrophobicContact CG2-CE2 4.17Å; T323-Y359 HydrophobicContact CG2-CE2 4.49Å; T323-Y359 WeakPolarHBondContact OG1-CE2 3.41Å; T323-Y359 PolarHBondContact OG1-OH 2.89Å; S326-Y359 WeakPolarHBondContact OG-CB 3.48Å; S326-Y359 VanDerWaalsContact OG-CD2 3.28Å; S326-Y359 WeakPolarHBondContact OG-CD2 3.39Å; M355-Y359 WeakPolarHBondContact O-CB 3.32Å; M355-Y359 PolarHBondContact O-N 3.2Å; Y359-Y361 VanDerWaalsContact C-N 3.31Å; Y359-Y361 PolarHBondContact O-N 3.27Å; Y359-Q362 PolarHBondContact O-N 3.2Å; Y359-M363 HydrophobicContact CD2-CG 4.05Å; Y359-M363 HydrophobicContact CE2-CG 3.63Å; Y359-M363 HydrophobicContact CE2-SD 4.37Å; Y359-M363 WeakPolarHBondContact O-CG 3.46Å; Y359-M363 PolarHBondContact O-N 2.77Å |
| 360 | I | 96.3 | Very high | 95.8 | Very high | 80 Ų | 80 | 14 Ų | 14 | 41% | 0.41 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 179.6 | -67.7 | 166.4 | 0 | 0 | 0 | 109.9 | A356 F357 D358 T364 | A356-I360 WeakPolarHBondContact O-CD1 3.34Å; A356-I360 VanDerWaalsContact O-CG1 3.25Å; A356-I360 WeakPolarHBondContact O-CG1 3.45Å; A356-I360 PolarHBondContact O-N 3.02Å; F357-I360 PolarHBondContact O-N 2.92Å; D358-I360 PolarHBondContact O-N 3.29Å; I360-T364 WeakPolarHBondContact O-CB 3.46Å; I360-T364 WeakPolarHBondContact O-CG2 3.33Å; I360-T364 PolarHBondContact O-N 2.98Å; I360-T364 PolarHBondContact O-OG1 3.36Å |
| 361 | Y | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -74.2 | -30.7 | -177.6 | -64.4 | -13.7 | 0 | 0 | 0 | 113 | P29 I32 T33 S253 M256 A257 S260 F357 D358 Y359 T364 F365 F366 | P29-Y361 HydrophobicContact CB-CD1 3.68Å; P29-Y361 HydrophobicContact CB-CE1 3.75Å; P29-Y361 HydrophobicContact CB-CG 4.42Å; P29-Y361 HydrophobicContact CG-CD1 4.35Å; I32-Y361 WeakPolarHBondContact CG2-OH 3.39Å; T33-Y361 WeakPolarHBondContact OG1-CE2 3.43Å; T33-Y361 PolarHBondContact OG1-OH 2.6Å; T33-Y361 VanDerWaalsContact OG1-OH 3.13Å; S253-Y361 WeakPolarHBondContact OG-CB 3.43Å; M256-Y361 HydrophobicContact CB-CD2 3.83Å; M256-Y361 HydrophobicContact CB-CE2 3.79Å; M256-Y361 HydrophobicContact CE-CE2 4.48Å; A257-Y361 HydrophobicContact CB-CD2 3.97Å; A257-Y361 HydrophobicContact CB-CE2 4.41Å; S260-Y361 PolarHBondContact OG-OH 3.19Å; F357-Y361 HydrophobicContact CB-CE2 4.49Å; F357-Y361 HydrophobicContact CD1-CE1 4.45Å; F357-Y361 HydrophobicContact CD1-CE2 4.49Å; F357-Y361 WeakPolarHBondContact O-CB 3.45Å; F357-Y361 VanDerWaalsContact O-CG 3.31Å; F357-Y361 PolarHBondContact O-N 2.93Å; D358-Y361 CarbonylContact O-C 3.59Å; D358-Y361 PolarHBondContact O-N 3.42Å; D358-Y361 VanDerWaalsContact O-N 3.09Å; Y359-Y361 VanDerWaalsContact C-N 3.31Å; Y359-Y361 PolarHBondContact O-N 3.27Å; Y361-T364 CarbonylContact O-C 3.53Å; Y361-T364 PolarHBondContact O-N 3.09Å; Y361-F365 WeakPolarHBondContact O-CA 3.07Å; Y361-F365 WeakPolarHBondContact O-CB 3.25Å; Y361-F365 PolarHBondContact O-N 2.9Å; Y361-F366 PolarHBondContact O-N 3.32Å |
| 362 | Q | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -65.1 | -45 | 172.7 | -69.6 | -63.3 | 18.9 | 0 | 0 | 111.7 | G287 D290 T291 D358 Y359 T364 S367 | G287-Q362 PolarHBondContact O-NE2 3.25Å; D290-Q362 HydrophobicContact CB-CG 3.94Å; T291-Q362 PolarHBondContact OG1-NE2 2.91Å; T291-Q362 VanDerWaalsContact OG1-NE2 3.09Å; D358-Q362 WeakPolarHBondContact O-CB 3.46Å; D358-Q362 VanDerWaalsContact O-CG 3.28Å; D358-Q362 WeakPolarHBondContact O-CG 3.46Å; D358-Q362 PolarHBondContact O-N 3.03Å; Y359-Q362 PolarHBondContact O-N 3.2Å; Q362-T364 VanDerWaalsContact C-N 3.32Å; Q362-T364 PolarHBondContact O-N 3.09Å; Q362-S367 PolarHBondContact O-N 3.23Å; Q362-S367 VanDerWaalsContact O-N 3.16Å; Q362-S367 PolarHBondContact O-OG 3.46Å |
| 363 | M | 94.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 19 Ų | 19 | 4% | 0.044 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -74 | -22.1 | 179.1 | -62.9 | -54.5 | -63.9 | 0 | 0 | 113.3 | F11 Y14 L315 I322 Y359 S367 | F11-M363 HydrophobicContact CD1-CE 3.45Å; F11-M363 VanDerWaalsContact CD1-CE 3.45Å; F11-M363 HydrophobicContact CE1-CE 3.28Å; F11-M363 HydrophobicContact CZ-CE 4.19Å; Y14-M363 HydrophobicContact CD1-CE 4.3Å; Y14-M363 HydrophobicContact CE1-CB 4.44Å; Y14-M363 HydrophobicContact CE1-CE 4.18Å; Y14-M363 WeakPolarHBondContact CE1-O 3.35Å; Y14-M363 PolarHBondContact OH-O 3.16Å; L315-M363 HydrophobicContact CD2-CE 4.18Å; I322-M363 HydrophobicContact CG2-SD 4.23Å; Y359-M363 HydrophobicContact CD2-CG 4.05Å; Y359-M363 HydrophobicContact CE2-CG 3.63Å; Y359-M363 HydrophobicContact CE2-SD 4.37Å; Y359-M363 WeakPolarHBondContact O-CG 3.46Å; Y359-M363 PolarHBondContact O-N 2.77Å; M363-S367 WeakPolarHBondContact O-CB 3.26Å; M363-S367 PolarHBondContact O-OG 3.36Å |
| 364 | T | 95.7 | Very high | 95 | Very high | 20 Ų | 20 | 18.3 Ų | 18.3 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -105.7 | -81.6 | -179 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | F25 P29 I360 Y361 Q362 A368 | F25-T364 HydrophobicContact CD1-CG2 3.78Å; F25-T364 HydrophobicContact CE1-CG2 3.91Å; P29-T364 WeakPolarHBondContact CG-OG1 3.44Å; I360-T364 WeakPolarHBondContact O-CB 3.46Å; I360-T364 WeakPolarHBondContact O-CG2 3.33Å; I360-T364 PolarHBondContact O-N 2.98Å; I360-T364 PolarHBondContact O-OG1 3.36Å; Y361-T364 CarbonylContact O-C 3.53Å; Y361-T364 PolarHBondContact O-N 3.09Å; Q362-T364 VanDerWaalsContact C-N 3.32Å; Q362-T364 PolarHBondContact O-N 3.09Å; T364-A368 WeakPolarHBondContact O-CB 3.26Å; T364-A368 PolarHBondContact O-N 3.07Å |
| 365 | F | 96.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 25 Ų | 25 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -55.8 | -56 | -175.2 | 175 | -98.1 | 0 | 0 | 0 | 111.7 | F25 V26 P29 V30 L252 M256 Y361 A368 V369 | F25-F365 WeakPolarHBondContact O-CA 3.34Å; V26-F365 HydrophobicContact CG1-CD2 4.23Å; V26-F365 HydrophobicContact CG1-CE2 4Å; P29-F365 HydrophobicContact CB-CB 3.87Å; P29-F365 HydrophobicContact CG-CB 3.9Å; V30-F365 HydrophobicContact CG2-CD2 4.25Å; V30-F365 HydrophobicContact CG2-CE2 3.99Å; L252-F365 HydrophobicContact CD2-CE1 4.43Å; L252-F365 HydrophobicContact CD2-CZ 3.89Å; L252-F365 HydrophobicContact CG-CE1 4.42Å; L252-F365 HydrophobicContact CG-CZ 4.28Å; M256-F365 HydrophobicContact CE-CD2 4.23Å; M256-F365 HydrophobicContact CE-CE2 4.49Å; M256-F365 HydrophobicContact CE-CG 4.43Å; M256-F365 HydrophobicContact SD-CD2 4.41Å; M256-F365 HydrophobicContact SD-CE1 4.31Å; M256-F365 HydrophobicContact SD-CE2 4.19Å; M256-F365 HydrophobicContact SD-CZ 4.14Å; Y361-F365 WeakPolarHBondContact O-CA 3.07Å; Y361-F365 WeakPolarHBondContact O-CB 3.25Å; Y361-F365 PolarHBondContact O-N 2.9Å; F365-A368 PolarHBondContact O-N 3.29Å; F365-V369 HydrophobicContact CE1-CG2 4.3Å; F365-V369 HydrophobicContact CE2-CG2 4.33Å; F365-V369 HydrophobicContact CZ-CG2 4.15Å; F365-V369 WeakPolarHBondContact O-CG2 3.32Å; F365-V369 PolarHBondContact O-N 3.03Å |
| 366 | F | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -67.9 | -46.4 | -172.9 | -178.7 | -119.7 | 0 | 0 | 0 | 112 | E246 A249 T291 T294 I295 Y361 A368 V369 V370 | E246-F366 VanDerWaalsContact O-CE2 3.29Å; E246-F366 WeakPolarHBondContact O-CE2 3.48Å; A249-F366 HydrophobicContact CB-CD2 4.33Å; A249-F366 HydrophobicContact CB-CE2 4.45Å; T291-F366 HydrophobicContact CG2-CE1 3.98Å; T291-F366 HydrophobicContact CG2-CE2 3.88Å; T291-F366 HydrophobicContact CG2-CZ 3.42Å; T291-F366 VanDerWaalsContact CG2-CZ 3.42Å; T294-F366 HydrophobicContact CG2-CD1 4.34Å; T294-F366 HydrophobicContact CG2-CE1 3.92Å; I295-F366 HydrophobicContact CD1-CZ 4.15Å; I295-F366 HydrophobicContact CG1-CZ 3.93Å; Y361-F366 PolarHBondContact O-N 3.32Å; F366-A368 VanDerWaalsContact C-N 3.28Å; F366-A368 PolarHBondContact O-N 2.98Å; F366-V369 PolarHBondContact O-N 3.3Å; F366-V369 VanDerWaalsContact O-N 3.09Å; F366-V370 HydrophobicContact CD1-CG2 4.28Å; F366-V370 HydrophobicContact CD2-CG2 4.26Å; F366-V370 HydrophobicContact CE1-CG2 3.87Å; F366-V370 HydrophobicContact CE2-CG2 3.78Å; F366-V370 HydrophobicContact CG-CG2 4.47Å; F366-V370 HydrophobicContact CZ-CG2 3.57Å; F366-V370 WeakPolarHBondContact O-CG2 3.37Å; F366-V370 PolarHBondContact O-N 3.43Å |
| 367 | S | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.8 | -41.9 | 174.8 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | L315 Q362 M363 Y371 | L315-S367 WeakPolarHBondContact CD2-OG 3.34Å; Q362-S367 PolarHBondContact O-N 3.23Å; Q362-S367 VanDerWaalsContact O-N 3.16Å; Q362-S367 PolarHBondContact O-OG 3.46Å; M363-S367 WeakPolarHBondContact O-CB 3.26Å; M363-S367 PolarHBondContact O-OG 3.36Å; S367-Y371 PolarHBondContact O-N 2.93Å |
| 368 | A | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V18 A22 F25 V26 T364 F365 F366 Y371 L372 | V18-A368 HydrophobicContact CG1-CB 4.07Å; A22-A368 HydrophobicContact CB-CB 4.29Å; A22-A368 WeakPolarHBondContact O-CB 3.29Å; F25-A368 HydrophobicContact CB-CB 3.75Å; V26-A368 HydrophobicContact CG2-CB 3.78Å; T364-A368 WeakPolarHBondContact O-CB 3.26Å; T364-A368 PolarHBondContact O-N 3.07Å; F365-A368 PolarHBondContact O-N 3.29Å; F366-A368 VanDerWaalsContact C-N 3.28Å; F366-A368 PolarHBondContact O-N 2.98Å; A368-Y371 PolarHBondContact O-N 2.93Å; A368-L372 WeakPolarHBondContact O-CG 3.28Å; A368-L372 PolarHBondContact O-N 3.47Å |
| 369 | V | 94.9 | Very high | 90 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | V26 A249 F365 F366 Y371 L372 L373 | V26-V369 HydrophobicContact CG2-CG2 3.96Å; A249-V369 HydrophobicContact CB-CB 4.28Å; A249-V369 HydrophobicContact CB-CG1 3.54Å; F365-V369 HydrophobicContact CE1-CG2 4.3Å; F365-V369 HydrophobicContact CE2-CG2 4.33Å; F365-V369 HydrophobicContact CZ-CG2 4.15Å; F365-V369 WeakPolarHBondContact O-CG2 3.32Å; F365-V369 PolarHBondContact O-N 3.03Å; F366-V369 PolarHBondContact O-N 3.3Å; F366-V369 VanDerWaalsContact O-N 3.09Å; V369-Y371 VanDerWaalsContact C-N 3.27Å; V369-Y371 PolarHBondContact O-N 3.26Å; V369-L372 PolarHBondContact O-N 3.27Å; V369-L373 HydrophobicContact CG1-CD1 3.63Å; V369-L373 HydrophobicContact CG1-CG 4.07Å; V369-L373 WeakPolarHBondContact O-CB 3.39Å; V369-L373 WeakPolarHBondContact O-CG 3.33Å; V369-L373 PolarHBondContact O-N 3.13Å |
| 370 | V | 93.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 175.2 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | E246 T294 W298 F366 G374 | E246-V370 HydrophobicContact CG-CG2 4.44Å; T294-V370 HydrophobicContact CG2-CG2 4.35Å; W298-V370 HydrophobicContact CB-CG1 4.31Å; W298-V370 HydrophobicContact CD2-CG1 3.88Å; W298-V370 HydrophobicContact CE3-CG1 3.72Å; W298-V370 HydrophobicContact CG-CG1 4.13Å; W298-V370 HydrophobicContact CZ3-CG1 4.35Å; F366-V370 HydrophobicContact CD1-CG2 4.28Å; F366-V370 HydrophobicContact CD2-CG2 4.26Å; F366-V370 HydrophobicContact CE1-CG2 3.87Å; F366-V370 HydrophobicContact CE2-CG2 3.78Å; F366-V370 HydrophobicContact CG-CG2 4.47Å; F366-V370 HydrophobicContact CZ-CG2 3.57Å; F366-V370 WeakPolarHBondContact O-CG2 3.37Å; F366-V370 PolarHBondContact O-N 3.43Å; V370-G374 WeakPolarHBondContact O-CA 3.24Å; V370-G374 PolarHBondContact O-N 3.18Å |
| 371 | Y | 94.2 | Very high | 85.9 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 175.3 | 161.4 | -99.8 | 0 | 0 | 0 | 113.2 | A19 A22 P307 E308 L311 S367 A368 V369 L373 G374 R375 | A19-Y371 HydrophobicContact CB-CD2 3.94Å; A19-Y371 HydrophobicContact CB-CE1 4.37Å; A19-Y371 HydrophobicContact CB-CE2 3.81Å; A19-Y371 HydrophobicContact CB-CG 4.29Å; A19-Y371 WeakPolarHBondContact O-CE1 3.28Å; A19-Y371 VanDerWaalsContact O-CZ 3.31Å; A19-Y371 PolarHBondContact O-OH 3.1Å; A22-Y371 HydrophobicContact CB-CD1 3.45Å; A22-Y371 VanDerWaalsContact CB-CD1 3.45Å; A22-Y371 HydrophobicContact CB-CE1 3.6Å; P307-Y371 HydrophobicContact CB-CD2 4.21Å; P307-Y371 HydrophobicContact CB-CE2 4Å; E308-Y371 HydrophobicContact CG-CE2 3.96Å; E308-Y371 PolarHBondContact OE1-OH 2.85Å; L311-Y371 HydrophobicContact CD2-CG 4.35Å; S367-Y371 PolarHBondContact O-N 2.93Å; A368-Y371 PolarHBondContact O-N 2.93Å; V369-Y371 VanDerWaalsContact C-N 3.27Å; V369-Y371 PolarHBondContact O-N 3.26Å; Y371-L373 PolarHBondContact O-N 3.34Å; Y371-G374 PolarHBondContact O-N 3Å; Y371-R375 WeakPolarHBondContact O-CB 3.32Å; Y371-R375 PolarHBondContact O-N 3.49Å |
| 372 | L | 92.6 | Very high | 83.5 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.8 | -42.1 | -179.3 | -71.1 | 172.7 | 0 | 0 | 0 | 112.2 | A22 V26 A368 V369 N376 | A22-L372 HydrophobicContact CB-CD1 4.43Å; A22-L372 HydrophobicContact CB-CD2 3.98Å; A22-L372 HydrophobicContact CB-CG 4.04Å; V26-L372 HydrophobicContact CG2-CD1 3.9Å; A368-L372 WeakPolarHBondContact O-CG 3.28Å; A368-L372 PolarHBondContact O-N 3.47Å; V369-L372 PolarHBondContact O-N 3.27Å; L372-N376 PolarHBondContact O-ND2 3.35Å |
| 373 | L | 90.8 | Very high | 80.9 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -73.4 | -36.2 | 175.6 | -65.7 | 178.8 | 0 | 0 | 0 | 111.8 | W245 E246 V369 Y371 N376 | W245-L373 HydrophobicContact CB-CD1 3.75Å; E246-L373 HydrophobicContact CB-CD1 4.49Å; E246-L373 HydrophobicContact CG-CB 4.08Å; E246-L373 HydrophobicContact CG-CD1 3.77Å; E246-L373 WeakPolarHBondContact OE1-CB 3.42Å; V369-L373 HydrophobicContact CG1-CD1 3.63Å; V369-L373 HydrophobicContact CG1-CG 4.07Å; V369-L373 WeakPolarHBondContact O-CB 3.39Å; V369-L373 WeakPolarHBondContact O-CG 3.33Å; V369-L373 PolarHBondContact O-N 3.13Å; Y371-L373 PolarHBondContact O-N 3.34Å; L373-N376 PolarHBondContact O-N 2.96Å |
| 374 | G | 87.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V370 Y371 N376 E377 | V370-G374 WeakPolarHBondContact O-CA 3.24Å; V370-G374 PolarHBondContact O-N 3.18Å; Y371-G374 PolarHBondContact O-N 3Å; G374-N376 PolarHBondContact O-N 3.16Å; G374-E377 VanDerWaalsContact O-CB 3.31Å; G374-E377 WeakPolarHBondContact O-CB 3.31Å; G374-E377 VanDerWaalsContact O-CG 3.3Å; G374-E377 WeakPolarHBondContact O-CG 3.45Å; G374-E377 PolarHBondContact O-N 2.9Å |
| 375 | R | 87 | Confident | 75.2 | Confident | 143 Ų | 143 | 70.2 Ų | 70.2 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -27.3 | 177 | -179.5 | 175.7 | 178.2 | 176.9 | 1.5 | 112.9 | P307 Y371 | P307-R375 HydrophobicContact CB-CB 4.22Å; P307-R375 HydrophobicContact CG-CB 4.32Å; P307-R375 HydrophobicContact CG-CG 4.33Å; Y371-R375 WeakPolarHBondContact O-CB 3.32Å; Y371-R375 PolarHBondContact O-N 3.49Å |
| 376 | N | 80.7 | Confident | 72.3 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.3 | 179.6 | -69.6 | -37.3 | 0 | 0 | 0 | 113.5 | L372 L373 G374 D378 K379 K380 | L372-N376 PolarHBondContact O-ND2 3.35Å; L373-N376 PolarHBondContact O-N 2.96Å; G374-N376 PolarHBondContact O-N 3.16Å; N376-D378 VanDerWaalsContact C-N 3.3Å; N376-D378 PolarHBondContact O-N 2.88Å; N376-K379 CarbonylContact O-C 3.55Å; N376-K379 WeakPolarHBondContact O-CA 3.38Å; N376-K379 PolarHBondContact O-N 3.02Å; N376-K380 PolarHBondContact O-N 2.93Å |
| 377 | E | 78.9 | Confident | 69 | Low | 10 Ų | 10 | 83.2 Ų | 83.2 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -55.6 | -41 | -179.6 | -79.2 | 175.5 | -171.4 | 0 | 0 | 113.2 | A240 K243 W298 R310 G374 K379 K380 | A240-E377 WeakPolarHBondContact O-CG 3.5Å; K243-E377 WeakPolarHBondContact CE-OE1 3.3Å; K243-E377 IonicContact NZ-OE1 2.72Å; K243-E377 PolarHBondContact NZ-OE1 2.94Å; W298-E377 PolarHBondContact NE1-OE1 3.35Å; R310-E377 IonicContact CZ-OE2 2.72Å; R310-E377 VanDerWaalsContact CZ-OE2 3.31Å; R310-E377 IonicContact NH1-OE2 2.98Å; R310-E377 PolarHBondContact NH1-OE2 3.04Å; R310-E377 IonicContact NH2-OE1 2.65Å; R310-E377 IonicContact NH2-OE2 3.35Å; R310-E377 PolarHBondContact NH2-OE2 3.46Å; G374-E377 VanDerWaalsContact O-CB 3.31Å; G374-E377 WeakPolarHBondContact O-CB 3.31Å; G374-E377 VanDerWaalsContact O-CG 3.3Å; G374-E377 WeakPolarHBondContact O-CG 3.45Å; G374-E377 PolarHBondContact O-N 2.9Å; E377-K379 PolarHBondContact O-N 3.2Å; E377-K380 HydrophobicContact CG-CD 4.43Å; E377-K380 WeakPolarHBondContact O-CB 3.34Å; E377-K380 PolarHBondContact O-N 3Å; E377-K380 VanDerWaalsContact O-N 3.08Å |
| 378 | D | 66.4 | Low | 65.8 | Low | 138 Ų | 138 | 94.4 Ų | 94.4 | 74% | 0.738 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -68.4 | -19.4 | 179.5 | -62 | -29.4 | 0 | 0 | 0 | 113 | N376 | N376-D378 VanDerWaalsContact C-N 3.3Å; N376-D378 PolarHBondContact O-N 2.88Å |
| 379 | K | 63.7 | Low | 62.7 | Low | 159 Ų | 159 | 100.5 Ų | 100.5 | 69% | 0.691 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -95.4 | -5.6 | 176.5 | -60.9 | -179.9 | -176.9 | 174.4 | 0 | 112.6 | N376 E377 T381 | N376-K379 CarbonylContact O-C 3.55Å; N376-K379 WeakPolarHBondContact O-CA 3.38Å; N376-K379 PolarHBondContact O-N 3.02Å; E377-K379 PolarHBondContact O-N 3.2Å; K379-T381 VanDerWaalsContact C-N 3.29Å; K379-T381 PolarHBondContact O-N 3.45Å |
| 380 | K | 59.2 | Low | 60 | Low | 61 Ų | 61 | 107.4 Ų | 107.4 | 27% | 0.265 | 53% | 0.528 | S | S | . | . | trans | -71.6 | 81.2 | 179.1 | -69.8 | -178.9 | -177.8 | 175.2 | 0 | 110 | D242 E246 N376 E377 | D242-K380 PolarHBondContact O-NZ 3.13Å; E246-K380 IonicContact OE1-NZ 2.99Å; N376-K380 PolarHBondContact O-N 2.93Å; E377-K380 HydrophobicContact CG-CD 4.43Å; E377-K380 WeakPolarHBondContact O-CB 3.34Å; E377-K380 PolarHBondContact O-N 3Å; E377-K380 VanDerWaalsContact O-N 3.08Å | ||
| 381 | T | 48.1 | Very low | 57 | Low | 134 Ų | 134 | 118.1 Ų | 118.1 | 82% | 0.822 | 57% | 0.568 | S | S | * | * | trans | -70.8 | 137.7 | 156.5 | 46.4 | 0 | 0 | 0 | 0 | 108.5 | K379 | K379-T381 VanDerWaalsContact C-N 3.29Å; K379-T381 PolarHBondContact O-N 3.45Å | ||
| 382 | S | 46.3 | Very low | 54.1 | Low | 85 Ų | 85 | 127.8 Ų | 127.8 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -52.6 | 140.3 | -164.3 | 57.3 | 0 | 0 | 0 | 0 | 116 | ||
| 383 | L | 40.7 | Very low | 51.3 | Low | 105 Ų | 105 | 132.8 Ų | 132.8 | 55% | 0.55 | 64% | 0.636 | S | S | . | * | S | Bend | trans | 36.5 | 108.3 | 155.9 | -97.9 | 82.1 | 0 | 0 | 0 | 117.3 | ||
| 384 | F | 39.4 | Very low | 48.6 | Very low | 178 Ų | 178 | 140 Ų | 140 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 71.9 | 105.4 | 174.9 | -66.4 | -92.5 | 0 | 0 | 0 | 113.7 | Q386 | F384-Q386 PolarHBondContact O-N 2.85Š|
| 385 | W | 31.6 | Very low | 45.9 | Very low | 235 Ų | 235 | 145.2 Ų | 145.2 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -10.3 | 119 | 158.6 | -70.1 | 83.2 | 0 | 0 | 0 | 115.2 | ||
| 386 | Q | 33.9 | Very low | 43.4 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | 93.6 | 133.7 | 156.6 | -60.1 | 175.1 | -12.2 | 0 | 0 | 120.4 | F384 | F384-Q386 PolarHBondContact O-N 2.85Š| ||
| 387 | C | 27.7 | Very low | 41.1 | Very low | 116 Ų | 116 | 148 Ų | 148 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | trans | 87.4 | 74.3 | 153.1 | -64.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 388 | R | 28.3 | Very low | 38.9 | Very low | 235 Ų | 235 | 150.6 Ų | 150.6 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | 168 | 137.2 | 112.2 | -89.4 | 173.6 | -173.6 | -156.8 | 2.6 | 111.4 | I390 | R388-I390 PolarHBondContact O-N 3.19Š| |||
| 389 | P | 30.9 | Very low | 37.1 | Very low | 127 Ų | 127 | 152 Ų | 152 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 123.3 | 174.3 | 29.1 | -31.1 | 0 | 0 | 0 | 109.9 | R391 | P389-R391 PolarHBondContact O-N 3.35Š|
| 390 | I | 38.2 | Very low | 35.5 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 118 | 169.5 | -62.1 | 174.5 | 0 | 0 | 0 | 107.7 | R388 K392 | R388-I390 PolarHBondContact O-N 3.19Å; I390-K392 PolarHBondContact O-N 3.09Å |
| 391 | R | 31.4 | Very low | 34 | Very low | 226 Ų | 226 | 155.2 Ų | 155.2 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -53 | 129.1 | 171.6 | -88 | 178.1 | 165.9 | 174.6 | -4.3 | 109.6 | P389 I393 | P389-R391 PolarHBondContact O-N 3.35Å; R391-I393 PolarHBondContact O-N 3.4Å |
| 392 | K | 32.4 | Very low | 33 | Very low | 213 Ų | 213 | 157.8 Ų | 157.8 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | -56.1 | 104.9 | 167.9 | -70.4 | -177.3 | 177.6 | -179.5 | 0 | 109 | I390 | I390-K392 PolarHBondContact O-N 3.09Š| ||
| 393 | I | 35.1 | Very low | 32.2 | Very low | 163 Ų | 163 | 161.4 Ų | 161.4 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | -79.2 | 121.7 | 165.2 | -64.7 | 174.9 | 0 | 0 | 0 | 106.6 | R391 | R391-I393 PolarHBondContact O-N 3.4Š| ||
| 394 | K | 33.3 | Very low | 31.5 | Very low | 198 Ų | 198 | 166.5 Ų | 166.5 | 86% | 0.861 | 85% | 0.852 | S | S | * | * | trans | -60.4 | 135.6 | 175.3 | -71.3 | -179.4 | 174.6 | -179.1 | 0 | 109.3 | G396 | K394-G396 PolarHBondContact O-N 2.91Š| ||
| 395 | A | 31.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 163.1 Ų | 163.1 | 93% | 0.926 | 85% | 0.845 | S | S | * | * | trans | -61.8 | 106.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 396 | G | 34.6 | Very low | 30.7 | Very low | 70 Ų | 70 | 157.8 Ų | 157.8 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | trans | -107.1 | 127.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | K394 G398 | K394-G396 PolarHBondContact O-N 2.91Å; G396-G398 PolarHBondContact O-N 3.22Å | ||
| 397 | E | 31.8 | Very low | 30.6 | Very low | 208 Ų | 208 | 155.7 Ų | 155.7 | 97% | 0.972 | 83% | 0.833 | S | S | * | * | trans | -53.8 | 119.9 | 175.4 | -66.8 | 164.7 | 144.6 | 0 | 0 | 110.6 | ||||
| 398 | G | 33 | Very low | 31 | Very low | 64 Ų | 64 | 157.3 Ų | 157.3 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | trans | -170.1 | 94.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G396 A400 | G396-G398 PolarHBondContact O-N 3.22Å; G398-A400 PolarHBondContact O-N 2.82Å | ||
| 399 | N | 28.8 | Very low | 32.3 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | 20.8 | 82.4 | 158.6 | -61.2 | -14.9 | 0 | 0 | 0 | 116.9 | M401 | N399-M401 PolarHBondContact O-N 2.89Š| ||
| 400 | A | 29.6 | Very low | 33.7 | Very low | 113 Ų | 113 | 147 Ų | 147 | 93% | 0.934 | 78% | 0.779 | S | S | * | * | trans | -77.6 | 69.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G398 | G398-A400 PolarHBondContact O-N 2.82Š| ||
| 401 | M | 27.5 | Very low | 34.8 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -132.2 | 74 | 168.3 | -172.1 | -177.5 | -105.3 | 0 | 0 | 108.7 | N399 | N399-M401 PolarHBondContact O-N 2.89Š| ||
| 402 | Q | 27.9 | Very low | 36.3 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | 163.4 | 70.2 | 156.3 | -94.9 | 172.6 | -8.3 | 0 | 0 | 111.8 | ||||
| 403 | I | 29 | Very low | 38 | Very low | 161 Ų | 161 | 128 Ų | 128 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | trans | -138.5 | 70.1 | 152.9 | -53.7 | 179.9 | 0 | 0 | 0 | 107.4 | ||||
| 404 | K | 25.4 | Very low | 39.9 | Very low | 212 Ų | 212 | 120.9 Ų | 120.9 | 92% | 0.922 | 67% | 0.674 | S | S | * | * | trans | -92.9 | 79.7 | 163.4 | -93.6 | -175 | 174.7 | 177.7 | 0 | 107 | ||||
| 405 | T | 27.4 | Very low | 41.8 | Very low | 106 Ų | 106 | 111.7 Ų | 111.7 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | trans | -156.1 | 113.5 | 174.1 | 8.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 406 | T | 27 | Very low | 44 | Very low | 123 Ų | 123 | 110 Ų | 110 | 76% | 0.755 | 61% | 0.61 | S | S | * | * | trans | 57.3 | 87.8 | 140.8 | 41 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 407 | N | 31.1 | Very low | 46.3 | Very low | 125 Ų | 125 | 112.1 Ų | 112.1 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | trans | -176.3 | 83.9 | 130.6 | -100 | -22.3 | 0 | 0 | 0 | 110.6 | S409 | N407-S409 PolarHBondContact O-N 2.77Š| ||
| 408 | K | 37.7 | Very low | 48.8 | Very low | 151 Ų | 151 | 103 Ų | 103 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | trans | -74.9 | 121.6 | 170.1 | -76 | -174 | 177.2 | -175.9 | 0 | 108.5 | M416 | K408-M416 HydrophobicContact CD-CE 3.97Š| ||
| 409 | S | 54.5 | Low | 51.2 | Low | 31 Ų | 31 | 103.8 Ų | 103.8 | 22% | 0.217 | 55% | 0.55 | C | S | . | * | trans | -59.5 | 140.4 | 171.6 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | N407 M411 V412 T413 | N407-S409 PolarHBondContact O-N 2.77Å; S409-M411 PolarHBondContact O-N 2.85Å; S409-M411 VanDerWaalsContact O-N 3.07Å; S409-V412 WeakPolarHBondContact O-CB 3.4Å; S409-V412 PolarHBondContact O-N 3.28Å; S409-T413 PolarHBondContact O-N 3.21Å | ||
| 410 | F | 59.8 | Low | 53.9 | Low | 113 Ų | 113 | 99 Ų | 99 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -48.9 | -36.3 | 179.4 | -177 | -91.5 | 0 | 0 | 0 | 113.1 | V412 T413 V414 W734 | F410-V412 VanDerWaalsContact C-N 3.28Å; F410-V412 PolarHBondContact O-N 2.96Å; F410-T413 WeakPolarHBondContact O-CA 3.32Å; F410-T413 WeakPolarHBondContact O-CB 3.37Å; F410-T413 PolarHBondContact O-N 2.75Å; F410-V414 HydrophobicContact CD1-CG2 3.96Å; F410-V414 HydrophobicContact CE1-CG2 3.42Å; F410-V414 VanDerWaalsContact CE1-CG2 3.42Å; F410-V414 HydrophobicContact CZ-CG2 3.92Å; F410-V414 PolarHBondContact O-N 2.92Å; F410-W734 HydrophobicContact CD1-CZ2 4.22Å; F410-W734 AromaticContact CE1-CD2 3.81Å; F410-W734 HydrophobicContact CE1-CD2 3.81Å; F410-W734 AromaticContact CE1-CE2 3.41Å; F410-W734 VanDerWaalsContact CE1-CE2 3.41Å; F410-W734 AromaticContact CE1-CE3 3.91Å; F410-W734 HydrophobicContact CE1-CE3 3.91Å; F410-W734 AromaticContact CE1-CH2 3.34Å; F410-W734 HydrophobicContact CE1-CH2 3.34Å; F410-W734 AromaticContact CE1-CZ2 3.18Å; F410-W734 HydrophobicContact CE1-CZ2 3.18Å; F410-W734 AromaticContact CE1-CZ3 3.69Å; F410-W734 HydrophobicContact CE1-CZ3 3.69Å; F410-W734 HydrophobicContact CE2-CH2 4.49Å; F410-W734 HydrophobicContact CZ-CE3 4.31Å; F410-W734 AromaticContact CZ-CH2 3.23Å; F410-W734 HydrophobicContact CZ-CH2 3.23Å; F410-W734 AromaticContact CZ-CZ2 3.54Å; F410-W734 HydrophobicContact CZ-CZ2 3.54Å; F410-W734 AromaticContact CZ-CZ3 3.64Å; F410-W734 HydrophobicContact CZ-CZ3 3.64Å |
| 411 | M | 61.2 | Low | 56.7 | Low | 75 Ų | 75 | 96 Ų | 96 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -31 | 177.4 | -160.8 | 177.6 | 90.1 | 0 | 0 | 113.4 | S409 G415 | S409-M411 PolarHBondContact O-N 2.85Å; S409-M411 VanDerWaalsContact O-N 3.07Å; M411-G415 PolarHBondContact O-N 2.86Å |
| 412 | V | 64.8 | Low | 59.5 | Low | 73 Ų | 73 | 88.4 Ų | 88.4 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.6 | -35.4 | 174.1 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | S409 F410 G415 M416 | S409-V412 WeakPolarHBondContact O-CB 3.4Å; S409-V412 PolarHBondContact O-N 3.28Å; F410-V412 VanDerWaalsContact C-N 3.28Å; F410-V412 PolarHBondContact O-N 2.96Å; V412-G415 PolarHBondContact O-N 3.2Å; V412-M416 HydrophobicContact CG1-CE 4.26Å; V412-M416 HydrophobicContact CG1-CG 4.49Å; V412-M416 HydrophobicContact CG1-SD 4.46Å; V412-M416 VanDerWaalsContact O-CG 3.3Å; V412-M416 WeakPolarHBondContact O-CG 3.2Å; V412-M416 PolarHBondContact O-N 3.42Å |
| 413 | T | 67.7 | Low | 62.4 | Low | 59 Ų | 59 | 82.9 Ų | 82.9 | 36% | 0.362 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 175.1 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | S409 F410 G415 M416 L417 | S409-T413 PolarHBondContact O-N 3.21Å; F410-T413 WeakPolarHBondContact O-CA 3.32Å; F410-T413 WeakPolarHBondContact O-CB 3.37Å; F410-T413 PolarHBondContact O-N 2.75Å; T413-G415 VanDerWaalsContact C-N 3.31Å; T413-G415 PolarHBondContact O-N 3.15Å; T413-M416 PolarHBondContact O-N 3.28Å; T413-L417 WeakPolarHBondContact O-CG 3.4Å; T413-L417 PolarHBondContact O-N 2.98Å |
| 414 | V | 74 | Confident | 65.3 | Low | 14 Ų | 14 | 79.2 Ų | 79.2 | 9% | 0.085 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 111 | F410 M416 L417 F418 W734 | F410-V414 HydrophobicContact CD1-CG2 3.96Å; F410-V414 HydrophobicContact CE1-CG2 3.42Å; F410-V414 VanDerWaalsContact CE1-CG2 3.42Å; F410-V414 HydrophobicContact CZ-CG2 3.92Å; F410-V414 PolarHBondContact O-N 2.92Å; V414-M416 PolarHBondContact O-N 3.4Å; V414-L417 WeakPolarHBondContact O-CB 3.22Å; V414-L417 PolarHBondContact O-N 3.48Å; V414-L417 VanDerWaalsContact O-N 3.17Å; V414-F418 HydrophobicContact CG1-CD2 3.83Å; V414-F418 HydrophobicContact CG1-CE2 3.38Å; V414-F418 HydrophobicContact CG1-CZ 3.9Å; V414-F418 PolarHBondContact O-N 3.37Å; V414-W734 HydrophobicContact CG1-CB 4.28Å; V414-W734 HydrophobicContact CG1-CE3 4.36Å; V414-W734 HydrophobicContact CG2-CD2 4.17Å; V414-W734 HydrophobicContact CG2-CE3 3.77Å; V414-W734 HydrophobicContact CG2-CZ3 4.24Å |
| 415 | G | 74.3 | Confident | 68.4 | Low | 5 Ų | 5 | 69.3 Ų | 69.3 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.9 | -48 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M411 V412 T413 L417 F418 D419 M730 | M411-G415 PolarHBondContact O-N 2.86Å; V412-G415 PolarHBondContact O-N 3.2Å; T413-G415 VanDerWaalsContact C-N 3.31Å; T413-G415 PolarHBondContact O-N 3.15Å; G415-L417 PolarHBondContact O-N 3.33Å; G415-F418 PolarHBondContact O-N 2.91Å; G415-F418 VanDerWaalsContact O-N 3.12Å; G415-D419 WeakPolarHBondContact O-CB 3.44Å; G415-D419 PolarHBondContact O-N 3.08Å; G415-M730 WeakPolarHBondContact CA-SD 3.5Å |
| 416 | M | 76.5 | Confident | 71.2 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.5 | -33.3 | 176.1 | -71.5 | -177.7 | -59.4 | 0 | 0 | 112.5 | K408 V412 T413 V414 A420 | K408-M416 HydrophobicContact CD-CE 3.97Å; V412-M416 HydrophobicContact CG1-CE 4.26Å; V412-M416 HydrophobicContact CG1-CG 4.49Å; V412-M416 HydrophobicContact CG1-SD 4.46Å; V412-M416 VanDerWaalsContact O-CG 3.3Å; V412-M416 WeakPolarHBondContact O-CG 3.2Å; V412-M416 PolarHBondContact O-N 3.42Å; T413-M416 PolarHBondContact O-N 3.28Å; V414-M416 PolarHBondContact O-N 3.4Å; M416-A420 PolarHBondContact O-N 3.29Å; M416-A420 VanDerWaalsContact O-N 3.16Å |
| 417 | L | 84.3 | Confident | 74.2 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 60% | 0.602 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.5 | -47.8 | 174.2 | -70.9 | 171 | 0 | 0 | 0 | 110.9 | T413 V414 G415 D419 A420 Y421 | T413-L417 WeakPolarHBondContact O-CG 3.4Å; T413-L417 PolarHBondContact O-N 2.98Å; V414-L417 WeakPolarHBondContact O-CB 3.22Å; V414-L417 PolarHBondContact O-N 3.48Å; V414-L417 VanDerWaalsContact O-N 3.17Å; G415-L417 PolarHBondContact O-N 3.33Å; L417-D419 VanDerWaalsContact C-N 3.33Å; L417-D419 PolarHBondContact O-N 2.92Å; L417-A420 PolarHBondContact O-N 2.88Å; L417-Y421 WeakPolarHBondContact O-CB 3.47Å; L417-Y421 PolarHBondContact O-N 3.31Å |
| 418 | F | 83.9 | Confident | 77 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 7% | 0.066 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.4 | -33.4 | 177.3 | -65.6 | -34.7 | 0 | 0 | 0 | 113.1 | V414 G415 A420 Y421 I422 L729 M730 I737 F777 | V414-F418 HydrophobicContact CG1-CD2 3.83Å; V414-F418 HydrophobicContact CG1-CE2 3.38Å; V414-F418 HydrophobicContact CG1-CZ 3.9Å; V414-F418 PolarHBondContact O-N 3.37Å; G415-F418 PolarHBondContact O-N 2.91Å; G415-F418 VanDerWaalsContact O-N 3.12Å; F418-A420 VanDerWaalsContact C-N 3.33Å; F418-A420 PolarHBondContact O-N 3.38Å; F418-Y421 WeakPolarHBondContact O-CB 3.4Å; F418-Y421 PolarHBondContact O-N 3.07Å; F418-I422 PolarHBondContact O-N 3.05Å; F418-L729 HydrophobicContact CB-CB 4.47Å; F418-L729 HydrophobicContact CD1-CB 4.33Å; F418-L729 HydrophobicContact CD1-CD1 4.36Å; F418-L729 HydrophobicContact CD2-CB 3.94Å; F418-L729 HydrophobicContact CE2-CB 4.2Å; F418-L729 WeakPolarHBondContact CE2-O 3.33Å; F418-L729 HydrophobicContact CG-CB 4.02Å; F418-M730 HydrophobicContact CB-SD 4.35Å; F418-M730 HydrophobicContact CD2-SD 3.95Å; F418-I737 HydrophobicContact CZ-CD1 4.33Å; F418-F777 HydrophobicContact CE1-CE1 4.29Å; F418-F777 HydrophobicContact CZ-CE1 4.31Å |
| 419 | D | 82.6 | Confident | 79.6 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 173.1 | -68.4 | -27.2 | 0 | 0 | 0 | 111.7 | G415 L417 P423 H726 | G415-D419 WeakPolarHBondContact O-CB 3.44Å; G415-D419 PolarHBondContact O-N 3.08Å; L417-D419 VanDerWaalsContact C-N 3.33Å; L417-D419 PolarHBondContact O-N 2.92Å; D419-P423 WeakPolarHBondContact O-CD 3.27Å; D419-P423 WeakPolarHBondContact O-CG 3.38Å; D419-H726 IonicContact OD1-CD2 3.7Å; D419-H726 IonicContact OD1-CE1 2.87Å; D419-H726 IonicContact OD1-NE2 2.66Å; D419-H726 PolarHBondContact OD1-NE2 3.39Å |
| 420 | A | 85.9 | Confident | 81.4 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 56% | 0.562 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -77.1 | -28.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | M416 L417 F418 | M416-A420 PolarHBondContact O-N 3.29Å; M416-A420 VanDerWaalsContact O-N 3.16Å; L417-A420 PolarHBondContact O-N 2.88Å; F418-A420 VanDerWaalsContact C-N 3.33Å; F418-A420 PolarHBondContact O-N 3.38Å |
| 421 | Y | 88.9 | Confident | 82.9 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68 | -48.2 | -174.8 | -177.3 | -118.7 | 0 | 0 | 0 | 113.5 | L417 F418 L424 L425 L729 F777 | L417-Y421 WeakPolarHBondContact O-CB 3.47Å; L417-Y421 PolarHBondContact O-N 3.31Å; F418-Y421 WeakPolarHBondContact O-CB 3.4Å; F418-Y421 PolarHBondContact O-N 3.07Å; Y421-L424 WeakPolarHBondContact O-CB 3.18Å; Y421-L424 PolarHBondContact O-N 3.4Å; Y421-L425 HydrophobicContact CD1-CD1 4.05Å; Y421-L425 HydrophobicContact CE1-CD1 3.38Å; Y421-L425 HydrophobicContact CE1-CG 4.12Å; Y421-L425 HydrophobicContact CE2-CD1 4.19Å; Y421-L425 HydrophobicContact CE2-CD2 4.19Å; Y421-L425 HydrophobicContact CE2-CG 4.07Å; Y421-L425 VanDerWaalsContact CZ-CD1 3.45Å; Y421-L425 PolarHBondContact O-N 2.81Å; Y421-L425 VanDerWaalsContact O-N 3.12Å; Y421-L729 HydrophobicContact CD1-CD1 4.03Å; Y421-L729 HydrophobicContact CE1-CD1 4.35Å; Y421-F777 PolarHBondContact OH-O 3.32Å |
| 422 | I | 86.7 | Confident | 84.4 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.062 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -44.4 | -174 | -63.5 | 172.4 | 0 | 0 | 0 | 112.6 | F418 L424 L425 R426 A722 L725 H726 L729 L785 | F418-I422 PolarHBondContact O-N 3.05Å; I422-L424 VanDerWaalsContact C-N 3.25Å; I422-L424 PolarHBondContact O-N 2.73Å; I422-L425 PolarHBondContact O-N 3.26Å; I422-R426 PolarHBondContact O-N 2.85Å; I422-A722 HydrophobicContact CG2-CB 3.93Å; I422-L725 HydrophobicContact CD1-CD2 4.49Å; I422-L725 HydrophobicContact CD1-CG 4.33Å; I422-L725 HydrophobicContact CG1-CD2 4.28Å; I422-H726 HydrophobicContact CD1-CB 3.46Å; I422-H726 VanDerWaalsContact CD1-CB 3.46Å; I422-L729 HydrophobicContact CD1-CD1 4.17Å; I422-L729 HydrophobicContact CG1-CD1 4.14Å; I422-L785 HydrophobicContact CG2-CD2 4.39Å |
| 423 | P | 88.1 | Confident | 85.7 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.8 | -33.2 | 173.6 | -24.4 | 34.8 | 0 | 0 | 0 | 113.2 | D419 R426 | D419-P423 WeakPolarHBondContact O-CD 3.27Å; D419-P423 WeakPolarHBondContact O-CG 3.38Å; P423-R426 PolarHBondContact O-N 2.95Å |
| 424 | L | 90.1 | Very high | 86.9 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 176.9 | -177.4 | 65.8 | 0 | 0 | 0 | 111.2 | Y421 I422 R426 K427 V430 | Y421-L424 WeakPolarHBondContact O-CB 3.18Å; Y421-L424 PolarHBondContact O-N 3.4Å; I422-L424 VanDerWaalsContact C-N 3.25Å; I422-L424 PolarHBondContact O-N 2.73Å; L424-R426 PolarHBondContact O-N 3.15Å; L424-K427 HydrophobicContact CD1-CD 4.43Å; L424-K427 WeakPolarHBondContact O-CB 3.43Å; L424-K427 PolarHBondContact O-N 3.41Å; L424-K427 VanDerWaalsContact O-N 3.12Å; L424-V430 HydrophobicContact CD1-CG2 3.89Å; L424-V430 HydrophobicContact CG-CG2 4.29Å; L424-V430 WeakPolarHBondContact O-CB 3.26Å |
| 425 | L | 89.3 | Confident | 87.8 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -23.4 | 176.9 | -70.8 | -176.4 | 0 | 0 | 0 | 113.8 | Y421 I422 K427 K431 I434 P781 I782 L785 | Y421-L425 HydrophobicContact CD1-CD1 4.05Å; Y421-L425 HydrophobicContact CE1-CD1 3.38Å; Y421-L425 HydrophobicContact CE1-CG 4.12Å; Y421-L425 HydrophobicContact CE2-CD1 4.19Å; Y421-L425 HydrophobicContact CE2-CD2 4.19Å; Y421-L425 HydrophobicContact CE2-CG 4.07Å; Y421-L425 VanDerWaalsContact CZ-CD1 3.45Å; Y421-L425 PolarHBondContact O-N 2.81Å; Y421-L425 VanDerWaalsContact O-N 3.12Å; I422-L425 PolarHBondContact O-N 3.26Å; L425-K427 VanDerWaalsContact C-N 3.33Å; L425-K431 VanDerWaalsContact O-CE 3.29Å; L425-K431 WeakPolarHBondContact O-CE 3.49Å; L425-K431 VanDerWaalsContact O-CG 3.28Å; L425-K431 WeakPolarHBondContact O-CG 3.45Å; L425-I434 HydrophobicContact CD2-CD1 3.94Å; L425-P781 HydrophobicContact CD1-CB 3.65Å; L425-I782 HydrophobicContact CD2-CD1 4.26Å; L425-I782 HydrophobicContact CD2-CG1 4.1Å; L425-L785 HydrophobicContact CB-CD1 4.02Å |
| 426 | R | 86.5 | Confident | 88.8 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 41% | 0.408 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.4 | -22.7 | 175.9 | -78.9 | -179.9 | 158.1 | -173.5 | -11 | 113 | I422 P423 L424 D720 L785 | I422-R426 PolarHBondContact O-N 2.85Å; P423-R426 PolarHBondContact O-N 2.95Å; L424-R426 PolarHBondContact O-N 3.15Å; R426-D720 IonicContact CZ-OD2 2.92Å; R426-D720 IonicContact NH2-OD2 3.11Å; R426-D720 PolarHBondContact NH2-OD2 3.36Å; R426-L785 HydrophobicContact CG-CD1 4.19Å |
| 427 | K | 90.5 | Very high | 89.7 | Confident | 123 Ų | 123 | 69.5 Ų | 69.5 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -65.6 | 131.6 | -177.7 | -67.1 | -174.9 | -179.9 | 179.6 | 0 | 110.9 | L424 L425 I429 V430 K431 | L424-K427 HydrophobicContact CD1-CD 4.43Å; L424-K427 WeakPolarHBondContact O-CB 3.43Å; L424-K427 PolarHBondContact O-N 3.41Å; L424-K427 VanDerWaalsContact O-N 3.12Å; L425-K427 VanDerWaalsContact C-N 3.33Å; K427-I429 VanDerWaalsContact C-N 3.29Å; K427-I429 PolarHBondContact O-N 3.37Å; K427-V430 HydrophobicContact CB-CB 4.29Å; K427-V430 HydrophobicContact CB-CG2 3.97Å; K427-V430 PolarHBondContact O-N 3.33Å; K427-V430 VanDerWaalsContact O-N 3.08Å; K427-K431 PolarHBondContact O-N 2.96Å |
| 428 | P | 89.8 | Confident | 90.3 | Very high | 103 Ų | 103 | 66.4 Ų | 66.4 | 67% | 0.669 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.4 | -35 | -175.7 | 24 | -33.8 | 0 | 0 | 0 | 112.9 | V430 K431 L432 | P428-V430 VanDerWaalsContact C-N 3.33Å; P428-V430 PolarHBondContact O-N 3.21Å; P428-K431 PolarHBondContact O-N 3.49Å; P428-L432 WeakPolarHBondContact O-CB 3.3Å; P428-L432 PolarHBondContact O-N 2.82Å |
| 429 | I | 93.1 | Very high | 90.9 | Very high | 137 Ų | 137 | 71.2 Ų | 71.2 | 70% | 0.703 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 176.4 | -61.7 | 169 | 0 | 0 | 0 | 110.7 | K427 L432 S433 | K427-I429 VanDerWaalsContact C-N 3.29Å; K427-I429 PolarHBondContact O-N 3.37Å; I429-L432 PolarHBondContact O-N 2.91Å; I429-S433 PolarHBondContact O-N 3.07Å; I429-S433 PolarHBondContact O-OG 3.39Å |
| 430 | V | 91.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 179.6 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | L424 K427 P428 L432 S433 I434 | L424-V430 HydrophobicContact CD1-CG2 3.89Å; L424-V430 HydrophobicContact CG-CG2 4.29Å; L424-V430 WeakPolarHBondContact O-CB 3.26Å; K427-V430 HydrophobicContact CB-CB 4.29Å; K427-V430 HydrophobicContact CB-CG2 3.97Å; K427-V430 PolarHBondContact O-N 3.33Å; K427-V430 VanDerWaalsContact O-N 3.08Å; P428-V430 VanDerWaalsContact C-N 3.33Å; P428-V430 PolarHBondContact O-N 3.21Å; V430-L432 VanDerWaalsContact C-N 3.34Å; V430-L432 PolarHBondContact O-N 2.85Å; V430-S433 WeakPolarHBondContact CA-OG 3.14Å; V430-S433 PolarHBondContact O-N 3.12Å; V430-S433 PolarHBondContact O-OG 2.66Å; V430-I434 HydrophobicContact CG1-CD1 3.64Å; V430-I434 HydrophobicContact CG1-CG1 4.45Å; V430-I434 WeakPolarHBondContact O-CB 3.3Å; V430-I434 VanDerWaalsContact O-CG1 3.28Å; V430-I434 WeakPolarHBondContact O-CG1 3.4Å; V430-I434 PolarHBondContact O-N 3Å |
| 431 | K | 91 | Very high | 92 | Very high | 66 Ų | 66 | 71 Ų | 71 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 173.3 | -68.4 | -171.2 | 176.3 | -166.8 | 0 | 111.9 | L425 K427 P428 G435 I782 | L425-K431 VanDerWaalsContact O-CE 3.29Å; L425-K431 WeakPolarHBondContact O-CE 3.49Å; L425-K431 VanDerWaalsContact O-CG 3.28Å; L425-K431 WeakPolarHBondContact O-CG 3.45Å; K427-K431 PolarHBondContact O-N 2.96Å; P428-K431 PolarHBondContact O-N 3.49Å; K431-G435 PolarHBondContact O-N 3.47Å; K431-I782 HydrophobicContact CG-CG2 4.44Å |
| 432 | L | 92.3 | Very high | 92.4 | Very high | 119 Ų | 119 | 70.5 Ų | 70.5 | 62% | 0.623 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64 | -47.1 | 177.9 | -179.2 | 63.7 | 0 | 0 | 0 | 111.5 | P428 I429 V430 I434 G435 I436 | P428-L432 WeakPolarHBondContact O-CB 3.3Å; P428-L432 PolarHBondContact O-N 2.82Å; I429-L432 PolarHBondContact O-N 2.91Å; V430-L432 VanDerWaalsContact C-N 3.34Å; V430-L432 PolarHBondContact O-N 2.85Å; L432-I434 VanDerWaalsContact C-N 3.32Å; L432-I434 PolarHBondContact O-N 3.44Å; L432-G435 PolarHBondContact O-N 3.01Å; L432-I436 HydrophobicContact CD1-CD1 4.33Å; L432-I436 HydrophobicContact CG-CD1 4.14Å; L432-I436 WeakPolarHBondContact O-CG1 3.46Å; L432-I436 PolarHBondContact O-N 3.23Å |
| 433 | S | 93 | Very high | 92.9 | Very high | 63 Ų | 63 | 72.6 Ų | 72.6 | 44% | 0.441 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 179.4 | 59 | 0 | 0 | 0 | 0 | 112.3 | I429 V430 I436 A437 | I429-S433 PolarHBondContact O-N 3.07Å; I429-S433 PolarHBondContact O-OG 3.39Å; V430-S433 WeakPolarHBondContact CA-OG 3.14Å; V430-S433 PolarHBondContact O-N 3.12Å; V430-S433 PolarHBondContact O-OG 2.66Å; S433-I436 PolarHBondContact O-N 3.23Å; S433-A437 WeakPolarHBondContact O-CB 3.37Å; S433-A437 PolarHBondContact O-N 3.2Å |
| 434 | I | 93.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 71.4 Ų | 71.4 | 14% | 0.138 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 177.8 | -68.5 | 167.2 | 0 | 0 | 0 | 110.9 | L425 V430 L432 I436 A437 Y438 V778 I779 I782 | L425-I434 HydrophobicContact CD2-CD1 3.94Å; V430-I434 HydrophobicContact CG1-CD1 3.64Å; V430-I434 HydrophobicContact CG1-CG1 4.45Å; V430-I434 WeakPolarHBondContact O-CB 3.3Å; V430-I434 VanDerWaalsContact O-CG1 3.28Å; V430-I434 WeakPolarHBondContact O-CG1 3.4Å; V430-I434 PolarHBondContact O-N 3Å; L432-I434 VanDerWaalsContact C-N 3.32Å; L432-I434 PolarHBondContact O-N 3.44Å; I434-I436 VanDerWaalsContact C-N 3.33Å; I434-I436 PolarHBondContact O-N 2.83Å; I434-A437 PolarHBondContact O-N 3.21Å; I434-Y438 WeakPolarHBondContact O-CB 3.43Å; I434-Y438 PolarHBondContact O-N 3.21Å; I434-V778 HydrophobicContact CB-CG1 4.48Å; I434-V778 HydrophobicContact CD1-CG1 3.75Å; I434-V778 HydrophobicContact CG1-CG1 4.08Å; I434-V778 HydrophobicContact CG2-CG1 3.58Å; I434-I779 HydrophobicContact CG2-CD1 3.96Å; I434-I782 HydrophobicContact CB-CD1 3.86Å; I434-I782 HydrophobicContact CD1-CD1 3.57Å; I434-I782 HydrophobicContact CG1-CD1 4.31Å; I434-I782 HydrophobicContact CG2-CD1 3.47Å; I434-I782 VanDerWaalsContact CG2-CD1 3.47Å |
| 435 | G | 92.8 | Very high | 93.7 | Very high | 31 Ų | 31 | 67.5 Ų | 67.5 | 32% | 0.32 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K431 L432 Y438 I439 | K431-G435 PolarHBondContact O-N 3.47Å; L432-G435 PolarHBondContact O-N 3.01Å; G435-Y438 PolarHBondContact O-N 2.81Å; G435-I439 VanDerWaalsContact O-CG1 3.32Å; G435-I439 WeakPolarHBondContact O-CG1 3.43Å; G435-I439 PolarHBondContact O-N 3.01Å |
| 436 | I | 95.2 | Very high | 94 | Very high | 104 Ų | 104 | 73.3 Ų | 73.3 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.9 | -66 | 166.3 | 0 | 0 | 0 | 110.9 | L432 S433 I434 Y438 I439 L440 | L432-I436 HydrophobicContact CD1-CD1 4.33Å; L432-I436 HydrophobicContact CG-CD1 4.14Å; L432-I436 WeakPolarHBondContact O-CG1 3.46Å; L432-I436 PolarHBondContact O-N 3.23Å; S433-I436 PolarHBondContact O-N 3.23Å; I434-I436 VanDerWaalsContact C-N 3.33Å; I434-I436 PolarHBondContact O-N 2.83Å; I436-Y438 VanDerWaalsContact C-N 3.29Å; I436-Y438 PolarHBondContact O-N 3.31Å; I436-I439 PolarHBondContact O-N 3.02Å; I436-L440 PolarHBondContact O-N 3.29Å |
| 437 | A | 95.1 | Very high | 94.5 | Very high | 48 Ų | 48 | 75.3 Ų | 75.3 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S433 I434 L440 Y441 | S433-A437 WeakPolarHBondContact O-CB 3.37Å; S433-A437 PolarHBondContact O-N 3.2Å; I434-A437 PolarHBondContact O-N 3.21Å; A437-L440 PolarHBondContact O-N 2.91Å; A437-Y441 WeakPolarHBondContact O-CB 3.07Å; A437-Y441 PolarHBondContact O-N 3.43Å |
| 438 | Y | 95.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 69.5 Ų | 69.5 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68 | -41.9 | 176.8 | -175.8 | -118.1 | 0 | 0 | 0 | 112.4 | I434 G435 I436 L440 Y441 L442 S671 F774 H775 I779 | I434-Y438 WeakPolarHBondContact O-CB 3.43Å; I434-Y438 PolarHBondContact O-N 3.21Å; G435-Y438 PolarHBondContact O-N 2.81Å; I436-Y438 VanDerWaalsContact C-N 3.29Å; I436-Y438 PolarHBondContact O-N 3.31Å; Y438-L440 VanDerWaalsContact C-N 3.32Å; Y438-L440 PolarHBondContact O-N 3.13Å; Y438-Y441 HydrophobicContact CD2-CD1 4.04Å; Y438-Y441 HydrophobicContact CE2-CD1 4.04Å; Y438-Y441 HydrophobicContact CE2-CE1 4.3Å; Y438-Y441 WeakPolarHBondContact O-CB 3.4Å; Y438-Y441 PolarHBondContact O-N 3.09Å; Y438-L442 HydrophobicContact CD1-CD1 4.13Å; Y438-L442 HydrophobicContact CE1-CD1 3.62Å; Y438-L442 HydrophobicContact CE1-CG 4.3Å; Y438-L442 HydrophobicContact CE2-CD1 4.44Å; Y438-L442 HydrophobicContact CE2-CD2 4.42Å; Y438-L442 HydrophobicContact CE2-CG 4.26Å; Y438-L442 WeakPolarHBondContact O-CG 3.3Å; Y438-L442 PolarHBondContact O-N 2.68Å; Y438-S671 WeakPolarHBondContact CE2-OG 3.25Å; Y438-S671 WeakPolarHBondContact OH-CB 3.07Å; Y438-S671 PolarHBondContact OH-OG 3.11Å; Y438-F774 HydrophobicContact CD2-CE1 4.1Å; Y438-H775 AromaticContact CE2-NE2 3.77Å; Y438-I779 HydrophobicContact CD2-CD1 3.65Å; Y438-I779 HydrophobicContact CD2-CG1 3.96Å; Y438-I779 HydrophobicContact CE2-CD1 4.38Å; Y438-I779 HydrophobicContact CE2-CG1 4.25Å; Y438-I779 HydrophobicContact CG-CD1 3.83Å |
| 439 | I | 96 | Very high | 95.1 | Very high | 116 Ų | 116 | 66.2 Ų | 66.2 | 60% | 0.595 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 174.2 | -68.6 | 166.1 | 0 | 0 | 0 | 110.6 | G435 I436 L442 A443 | G435-I439 VanDerWaalsContact O-CG1 3.32Å; G435-I439 WeakPolarHBondContact O-CG1 3.43Å; G435-I439 PolarHBondContact O-N 3.01Å; I436-I439 PolarHBondContact O-N 3.02Å; I439-L442 PolarHBondContact O-N 3.48Å; I439-A443 WeakPolarHBondContact O-CB 3.47Å; I439-A443 PolarHBondContact O-N 3.47Å |
| 440 | L | 96.3 | Very high | 95.2 | Very high | 114 Ų | 114 | 64 Ų | 64 | 60% | 0.597 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 175.8 | -179.3 | 64.1 | 0 | 0 | 0 | 111.6 | I436 A437 Y438 L442 A443 V444 | I436-L440 PolarHBondContact O-N 3.29Å; A437-L440 PolarHBondContact O-N 2.91Å; Y438-L440 VanDerWaalsContact C-N 3.32Å; Y438-L440 PolarHBondContact O-N 3.13Å; L440-L442 PolarHBondContact O-N 3.42Å; L440-A443 PolarHBondContact O-N 3.45Å; L440-V444 HydrophobicContact CD1-CG2 4.39Å; L440-V444 WeakPolarHBondContact O-CG2 3.36Å; L440-V444 PolarHBondContact O-N 3.06Å |
| 441 | Y | 96.9 | Very high | 95.3 | Very high | 32 Ų | 32 | 66.4 Ų | 66.4 | 13% | 0.125 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.7 | -50 | 174.4 | 162.6 | -100.1 | 0 | 0 | 0 | 111.4 | A437 Y438 A443 V444 A445 S671 G675 L679 T771 H775 | A437-Y441 WeakPolarHBondContact O-CB 3.07Å; A437-Y441 PolarHBondContact O-N 3.43Å; Y438-Y441 HydrophobicContact CD2-CD1 4.04Å; Y438-Y441 HydrophobicContact CE2-CD1 4.04Å; Y438-Y441 HydrophobicContact CE2-CE1 4.3Å; Y438-Y441 WeakPolarHBondContact O-CB 3.4Å; Y438-Y441 PolarHBondContact O-N 3.09Å; Y441-A443 VanDerWaalsContact C-N 3.35Å; Y441-A443 PolarHBondContact O-N 3.4Å; Y441-V444 PolarHBondContact O-N 3.47Å; Y441-A445 VanDerWaalsContact O-CB 3.28Å; Y441-A445 WeakPolarHBondContact O-CB 3.3Å; Y441-A445 PolarHBondContact O-N 3.29Å; Y441-S671 PolarHBondContact OH-O 3.4Å; Y441-S671 VanDerWaalsContact OH-O 3.08Å; Y441-G675 VanDerWaalsContact OH-CA 3.31Å; Y441-G675 WeakPolarHBondContact OH-CA 3.2Å; Y441-L679 HydrophobicContact CE2-CD1 4.34Å; Y441-T771 HydrophobicContact CE2-CG2 3.85Å; Y441-H775 AromaticContact CE1-CE1 3.59Å; Y441-H775 AromaticContact CE1-NE2 3.84Å; Y441-H775 AromaticContact CZ-CE1 3.67Å; Y441-H775 PolarHBondContact OH-CE1 2.93Å; Y441-H775 VanDerWaalsContact OH-CE1 3.31Å |
| 442 | L | 96.2 | Very high | 95.4 | Very high | 40 Ų | 40 | 66.5 Ų | 66.5 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177.4 | -71.3 | 177.1 | 0 | 0 | 0 | 111.8 | Y438 I439 L440 V444 A445 F446 | Y438-L442 HydrophobicContact CD1-CD1 4.13Å; Y438-L442 HydrophobicContact CE1-CD1 3.62Å; Y438-L442 HydrophobicContact CE1-CG 4.3Å; Y438-L442 HydrophobicContact CE2-CD1 4.44Å; Y438-L442 HydrophobicContact CE2-CD2 4.42Å; Y438-L442 HydrophobicContact CE2-CG 4.26Å; Y438-L442 WeakPolarHBondContact O-CG 3.3Å; Y438-L442 PolarHBondContact O-N 2.68Å; I439-L442 PolarHBondContact O-N 3.48Å; L440-L442 PolarHBondContact O-N 3.42Å; L442-V444 PolarHBondContact O-N 2.74Å; L442-A445 PolarHBondContact O-N 3.11Å; L442-F446 HydrophobicContact CB-CD2 4.42Å; L442-F446 HydrophobicContact CB-CE2 4.46Å; L442-F446 HydrophobicContact CD2-CE2 4.5Å; L442-F446 WeakPolarHBondContact O-CD2 3.31Å; L442-F446 PolarHBondContact O-N 2.98Å |
| 443 | A | 97.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I439 L440 Y441 W447 | I439-A443 WeakPolarHBondContact O-CB 3.47Å; I439-A443 PolarHBondContact O-N 3.47Å; L440-A443 PolarHBondContact O-N 3.45Å; Y441-A443 VanDerWaalsContact C-N 3.35Å; Y441-A443 PolarHBondContact O-N 3.4Å; A443-W447 VanDerWaalsContact O-CB 3.23Å; A443-W447 WeakPolarHBondContact O-CB 3.37Å; A443-W447 PolarHBondContact O-N 3.14Å |
| 444 | V | 97.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 67.5 Ų | 67.5 | 30% | 0.303 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L440 Y441 L442 W447 G448 L679 L682 | L440-V444 HydrophobicContact CD1-CG2 4.39Å; L440-V444 WeakPolarHBondContact O-CG2 3.36Å; L440-V444 PolarHBondContact O-N 3.06Å; Y441-V444 PolarHBondContact O-N 3.47Å; L442-V444 PolarHBondContact O-N 2.74Å; V444-W447 PolarHBondContact O-N 3.4Å; V444-G448 PolarHBondContact O-N 2.94Å; V444-L679 HydrophobicContact CG1-CD2 4.13Å; V444-L682 HydrophobicContact CG1-CD1 3.57Å |
| 445 | A | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.008 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -52.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y441 L442 W447 G448 C449 V674 G678 | Y441-A445 VanDerWaalsContact O-CB 3.28Å; Y441-A445 WeakPolarHBondContact O-CB 3.3Å; Y441-A445 PolarHBondContact O-N 3.29Å; L442-A445 PolarHBondContact O-N 3.11Å; A445-W447 VanDerWaalsContact C-N 3.32Å; A445-W447 PolarHBondContact O-N 3.28Å; A445-G448 PolarHBondContact O-N 2.93Å; A445-G448 VanDerWaalsContact O-N 3.15Å; A445-C449 PolarHBondContact O-N 3.39Å; A445-C449 PolarHBondContact O-SG 2.85Å; A445-C449 VanDerWaalsContact O-SG 3.34Å; A445-V674 HydrophobicContact CB-CG1 4.04Å; A445-G678 WeakPolarHBondContact O-CA 3.49Å |
| 446 | F | 96.9 | Very high | 94.3 | Very high | 125 Ų | 125 | 67.6 Ų | 67.6 | 55% | 0.548 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 176.9 | -79.5 | -64.9 | 0 | 0 | 0 | 112.5 | L442 C449 S450 V674 | L442-F446 HydrophobicContact CB-CD2 4.42Å; L442-F446 HydrophobicContact CB-CE2 4.46Å; L442-F446 HydrophobicContact CD2-CE2 4.5Å; L442-F446 WeakPolarHBondContact O-CD2 3.31Å; L442-F446 PolarHBondContact O-N 2.98Å; F446-C449 PolarHBondContact O-N 3.45Å; F446-S450 PolarHBondContact O-N 2.9Å; F446-V674 HydrophobicContact CD1-CG1 4.21Å; F446-V674 HydrophobicContact CE1-CG1 4.04Å; F446-V674 HydrophobicContact CZ-CG1 4.2Å |
| 447 | W | 97.7 | Very high | 93.7 | Very high | 151 Ų | 151 | 63.4 Ų | 63.4 | 57% | 0.572 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 173.7 | 179.4 | 53.7 | 0 | 0 | 0 | 111.7 | A443 V444 A445 S450 L682 | A443-W447 VanDerWaalsContact O-CB 3.23Å; A443-W447 WeakPolarHBondContact O-CB 3.37Å; A443-W447 PolarHBondContact O-N 3.14Å; V444-W447 PolarHBondContact O-N 3.4Å; A445-W447 VanDerWaalsContact C-N 3.32Å; A445-W447 PolarHBondContact O-N 3.28Å; W447-S450 PolarHBondContact O-N 3.16Å; W447-S450 PolarHBondContact O-OG 3.3Å; W447-L682 HydrophobicContact CE3-CD1 4.18Å; W447-L682 HydrophobicContact CE3-CD2 3.91Å; W447-L682 HydrophobicContact CH2-CD2 4.31Å; W447-L682 HydrophobicContact CZ3-CD1 4.36Å; W447-L682 HydrophobicContact CZ3-CD2 3.77Å |
| 448 | G | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V444 A445 S450 Q451 G678 T681 | V444-G448 PolarHBondContact O-N 2.94Å; A445-G448 PolarHBondContact O-N 2.93Å; A445-G448 VanDerWaalsContact O-N 3.15Å; G448-S450 PolarHBondContact O-N 3.4Å; G448-Q451 PolarHBondContact O-N 3.26Å; G448-G678 WeakPolarHBondContact CA-O 3.23Å; G448-T681 WeakPolarHBondContact O-CB 3.41Å; G448-T681 VanDerWaalsContact O-CG2 3.26Å; G448-T681 WeakPolarHBondContact O-CG2 3.43Å |
| 449 | C | 95.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 60.4 Ų | 60.4 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -35 | 177.6 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | A445 F446 Q451 I452 V674 G678 | A445-C449 PolarHBondContact O-N 3.39Å; A445-C449 PolarHBondContact O-SG 2.85Å; A445-C449 VanDerWaalsContact O-SG 3.34Å; F446-C449 PolarHBondContact O-N 3.45Å; C449-Q451 PolarHBondContact O-N 3.13Å; C449-I452 WeakPolarHBondContact O-CG2 3.48Å; C449-I452 PolarHBondContact O-N 3.13Å; C449-V674 PolarHBondContact SG-O 3.18Å; C449-V674 VanDerWaalsContact SG-O 3.37Å; C449-G678 PolarHBondContact SG-N 3.34Å |
| 450 | S | 95.3 | Very high | 92 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 63% | 0.629 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.2 | -17.2 | 177 | 77.7 | 0 | 0 | 0 | 0 | 114 | F446 W447 G448 | F446-S450 PolarHBondContact O-N 2.9Å; W447-S450 PolarHBondContact O-N 3.16Å; W447-S450 PolarHBondContact O-OG 3.3Å; G448-S450 PolarHBondContact O-N 3.4Å |
| 451 | Q | 94.6 | Very high | 91.6 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 8.1 | -178.5 | -65.6 | -173.5 | 44.4 | 0 | 0 | 113.6 | G448 C449 R453 T681 | G448-Q451 PolarHBondContact O-N 3.26Å; C449-Q451 PolarHBondContact O-N 3.13Å; Q451-R453 PolarHBondContact O-N 2.86Å; Q451-T681 HydrophobicContact CB-CG2 4.07Å |
| 452 | I | 92.1 | Very high | 91.2 | Very high | 67 Ų | 67 | 49 Ų | 49 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | trans | -56.8 | 128.5 | -175.1 | -162.2 | 167.5 | 0 | 0 | 0 | 111.2 | C449 V677 T681 L687 | C449-I452 WeakPolarHBondContact O-CG2 3.48Å; C449-I452 PolarHBondContact O-N 3.13Å; I452-V677 HydrophobicContact CD1-CG1 4.07Å; I452-T681 HydrophobicContact CB-CG2 4.47Å; I452-L687 HydrophobicContact CD1-CB 3.93Å; I452-L687 HydrophobicContact CD1-CD1 4.41Å; I452-L687 HydrophobicContact CD1-CD2 4.05Å; I452-L687 HydrophobicContact CD1-CG 4.35Å; I452-L687 HydrophobicContact CG1-CB 3.93Å | ||
| 453 | R | 91 | Very high | 90.9 | Very high | 163 Ų | 163 | 48 Ų | 48 | 62% | 0.615 | 25% | 0.249 | S | C | * | . | trans | -109.5 | 128.3 | 178.6 | -63.5 | -178.7 | -174.4 | 175.8 | 3.8 | 108.5 | Q451 D686 L687 | Q451-R453 PolarHBondContact O-N 2.86Å; R453-D686 WeakPolarHBondContact CB-OD1 3.42Å; R453-D686 CarbonylContact O-C 3.55Å; R453-D686 WeakPolarHBondContact O-CA 3.45Å; R453-D686 WeakPolarHBondContact O-CB 3.43Å; R453-L687 PolarHBondContact O-N 3.04Å | ||
| 454 | V | 89.7 | Confident | 90.4 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 25% | 0.248 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -94 | 112.6 | 175.4 | -164.5 | 0 | 0 | 0 | 0 | 107.4 | L630 L633 P634 L687 | V454-L630 HydrophobicContact CB-CD2 4.05Å; V454-L630 HydrophobicContact CG1-CD2 3.59Å; V454-L630 WeakPolarHBondContact O-CD2 3.26Å; V454-L633 HydrophobicContact CG1-CD2 3.94Å; V454-P634 HydrophobicContact CG1-CG 4.12Å; V454-P634 HydrophobicContact CG2-CG 3.79Å; V454-L687 WeakPolarHBondContact CA-O 3.46Å; V454-L687 HydrophobicContact CG2-CB 4.48Å; V454-L687 HydrophobicContact CG2-CD2 4.28Å |
| 455 | N | 84.9 | Confident | 89.8 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | trans | -160.7 | 123.7 | -177.2 | -176.1 | 35.7 | 0 | 0 | 0 | 112 | K460 D686 L687 | N455-K460 PolarHBondContact O-NZ 3.01Å; N455-D686 HydrophobicContact CB-CB 4.09Å; N455-D686 PolarHBondContact ND2-OD2 3.13Å; N455-L687 PolarHBondContact N-O 3.21Å | ||
| 456 | F | 82.8 | Confident | 89.3 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | trans | -129.6 | 126.8 | 174.7 | -177.8 | -110.8 | 0 | 0 | 0 | 110.1 | Y53 L461 Q629 D688 P689 | Y53-F456 AromaticContact CD1-CE1 3.96Å; Y53-F456 HydrophobicContact CD1-CE1 3.96Å; Y53-F456 HydrophobicContact CD1-CE2 4.42Å; Y53-F456 AromaticContact CD1-CZ 3.58Å; Y53-F456 HydrophobicContact CD1-CZ 3.58Å; Y53-F456 HydrophobicContact CD2-CE1 4.19Å; Y53-F456 AromaticContact CD2-CZ 4Å; Y53-F456 HydrophobicContact CD2-CZ 4Å; Y53-F456 HydrophobicContact CE1-CE1 4.45Å; Y53-F456 HydrophobicContact CE1-CE2 4.23Å; Y53-F456 AromaticContact CE1-CZ 3.63Å; Y53-F456 HydrophobicContact CE1-CZ 3.63Å; Y53-F456 HydrophobicContact CE2-CZ 4.08Å; Y53-F456 AromaticContact CG-CE1 3.8Å; Y53-F456 HydrophobicContact CG-CE1 3.8Å; Y53-F456 AromaticContact CG-CZ 3.76Å; Y53-F456 HydrophobicContact CG-CZ 3.76Å; Y53-F456 AromaticContact CZ-CZ 3.88Å; F456-L461 HydrophobicContact CE1-CD1 4.45Å; F456-L461 HydrophobicContact CE2-CD2 4.02Å; F456-L461 HydrophobicContact CE2-CG 4.39Å; F456-L461 HydrophobicContact CZ-CD1 3.8Å; F456-L461 HydrophobicContact CZ-CD2 4.03Å; F456-L461 HydrophobicContact CZ-CG 4.14Å; F456-Q629 VanDerWaalsContact CB-OE1 3.31Å; F456-D688 HydrophobicContact CB-CB 4.08Å; F456-D688 HydrophobicContact CD2-CB 3.82Å; F456-D688 HydrophobicContact CG-CB 4.41Å; F456-P689 HydrophobicContact CD2-CG 4.42Å; F456-P689 HydrophobicContact CE2-CG 4.43Å | ||
| 457 | T | 81.9 | Confident | 88.6 | Confident | 17 Ų | 17 | 48 Ų | 48 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | trans | -129.5 | 143.9 | -177.3 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | S459 K460 D476 | T457-S459 VanDerWaalsContact CB-OG 3.3Å; T457-S459 WeakPolarHBondContact CB-OG 3.32Å; T457-S459 PolarHBondContact O-N 2.97Å; T457-S459 VanDerWaalsContact O-N 3.14Å; T457-S459 PolarHBondContact OG1-OG 3.39Å; T457-K460 WeakPolarHBondContact O-CB 3.38Å; T457-K460 PolarHBondContact O-N 3.28Å; T457-K460 WeakPolarHBondContact OG1-CG 3.4Å; T457-D476 VanDerWaalsContact CB-OD2 3.24Å; T457-D476 WeakPolarHBondContact CB-OD2 3.34Å; T457-D476 HydrophobicContact CG2-CB 4.37Å; T457-D476 WeakPolarHBondContact CG2-OD2 3.42Å | ||
| 458 | A | 80 | Confident | 88 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -59.5 | -26.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L203 K460 L461 | L203-A458 HydrophobicContact CD1-CB 4.45Å; L203-A458 HydrophobicContact CD2-CB 3.83Å; A458-K460 PolarHBondContact O-N 3.23Å; A458-L461 PolarHBondContact O-N 3.01Å |
| 459 | S | 84.2 | Confident | 87.5 | Confident | 11 Ų | 11 | 44 Ų | 44 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -58.2 | -27 | 173.9 | 48.4 | 0 | 0 | 0 | 0 | 113.8 | T457 L461 V462 D476 | T457-S459 VanDerWaalsContact CB-OG 3.3Å; T457-S459 WeakPolarHBondContact CB-OG 3.32Å; T457-S459 PolarHBondContact O-N 2.97Å; T457-S459 VanDerWaalsContact O-N 3.14Å; T457-S459 PolarHBondContact OG1-OG 3.39Å; S459-L461 VanDerWaalsContact C-N 3.28Å; S459-L461 PolarHBondContact O-N 2.97Å; S459-V462 VanDerWaalsContact O-CG2 3.32Å; S459-V462 WeakPolarHBondContact O-CG2 3.49Å; S459-D476 PolarHBondContact OG-OD2 3.05Å |
| 460 | K | 87.9 | Confident | 87 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -73.8 | -16.7 | 176.8 | -71.2 | 174.1 | 174.7 | -168.4 | 0 | 113.4 | N455 T457 A458 D686 D688 Y756 | N455-K460 PolarHBondContact O-NZ 3.01Å; T457-K460 WeakPolarHBondContact O-CB 3.38Å; T457-K460 PolarHBondContact O-N 3.28Å; T457-K460 WeakPolarHBondContact OG1-CG 3.4Å; A458-K460 PolarHBondContact O-N 3.23Å; K460-D686 IonicContact NZ-OD2 2.85Å; K460-D686 PolarHBondContact NZ-OD2 2.84Å; K460-D688 IonicContact NZ-OD2 2.71Å; K460-D688 PolarHBondContact NZ-OD2 3.24Å; K460-Y756 HydrophobicContact CB-CD1 3.62Å; K460-Y756 HydrophobicContact CB-CE1 4.06Å; K460-Y756 HydrophobicContact CB-CG 3.94Å; K460-Y756 HydrophobicContact CD-CD1 4.11Å; K460-Y756 HydrophobicContact CD-CE1 3.73Å; K460-Y756 HydrophobicContact CD-CE2 4.2Å; K460-Y756 HydrophobicContact CD-CG 4.49Å; K460-Y756 HydrophobicContact CG-CD1 3.92Å; K460-Y756 HydrophobicContact CG-CD2 4.21Å; K460-Y756 HydrophobicContact CG-CE1 4.07Å; K460-Y756 HydrophobicContact CG-CE2 4.36Å; K460-Y756 HydrophobicContact CG-CG 3.97Å; K460-Y756 PolarHBondContact NZ-OH 3.29Å; K460-Y756 WeakPolarHBondContact O-CB 3.29Å |
| 461 | L | 87.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -94.1 | 4.7 | -177.3 | -56.8 | 179.9 | 0 | 0 | 0 | 113.4 | L49 Y53 A207 F456 A458 S459 Y755 V757 | L49-L461 HydrophobicContact CD1-CD1 4.03Å; L49-L461 HydrophobicContact CD2-CD1 3.54Å; L49-L461 HydrophobicContact CG-CD1 4.35Å; Y53-L461 HydrophobicContact CD2-CD1 4.33Å; Y53-L461 HydrophobicContact CE2-CD1 3.76Å; Y53-L461 HydrophobicContact CE2-CD2 4.48Å; A207-L461 WeakPolarHBondContact CA-O 3.46Å; A207-L461 HydrophobicContact CB-CB 4.37Å; F456-L461 HydrophobicContact CE1-CD1 4.45Å; F456-L461 HydrophobicContact CE2-CD2 4.02Å; F456-L461 HydrophobicContact CE2-CG 4.39Å; F456-L461 HydrophobicContact CZ-CD1 3.8Å; F456-L461 HydrophobicContact CZ-CD2 4.03Å; F456-L461 HydrophobicContact CZ-CG 4.14Å; A458-L461 PolarHBondContact O-N 3.01Å; S459-L461 VanDerWaalsContact C-N 3.28Å; S459-L461 PolarHBondContact O-N 2.97Å; L461-Y755 VanDerWaalsContact C-CE2 3.43Å; L461-Y755 WeakPolarHBondContact O-CE2 3.03Å; L461-Y755 PolarHBondContact O-OH 3.46Å; L461-V757 HydrophobicContact CD2-CG2 4.32Å |
| 462 | V | 89.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -125.1 | 147 | 179.7 | -68.4 | 0 | 0 | 0 | 0 | 112 | L203 Q206 A207 S210 S459 A468 R469 | L203-V462 HydrophobicContact CD1-CG1 4.1Å; Q206-V462 HydrophobicContact CB-CG1 4.35Å; Q206-V462 HydrophobicContact CG-CG1 3.92Å; A207-V462 HydrophobicContact CB-CG1 4.43Å; S210-V462 WeakPolarHBondContact OG-CA 3.41Å; S459-V462 VanDerWaalsContact O-CG2 3.32Å; S459-V462 WeakPolarHBondContact O-CG2 3.49Å; V462-A468 HydrophobicContact CG1-CB 4.33Å; V462-R469 HydrophobicContact CG2-CB 3.61Å; V462-R469 HydrophobicContact CG2-CG 4.14Å |
| 463 | V | 88.7 | Confident | 85.7 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | trans | -58.7 | 150.7 | 174.5 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | S210 A213 S465 S466 V753 D754 Y755 | S210-V463 PolarHBondContact OG-N 2.65Å; A213-V463 HydrophobicContact CB-CG1 4.49Å; V463-S465 PolarHBondContact O-N 2.93Å; V463-S466 WeakPolarHBondContact O-CB 3.41Å; V463-S466 PolarHBondContact O-N 3.3Å; V463-V753 HydrophobicContact CG1-CG1 4.08Å; V463-D754 WeakPolarHBondContact CA-O 3.48Å; V463-Y755 HydrophobicContact CG1-CG 4.45Å | ||
| 464 | A | 86.8 | Confident | 85.4 | Confident | 38 Ų | 38 | 32 Ų | 32 | 31% | 0.314 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -34.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S466 R469 D754 | A464-S466 PolarHBondContact O-N 3.15Å; A464-R469 VanDerWaalsContact CA-NH1 3.31Å; A464-D754 HydrophobicContact CB-CB 4.07Å; A464-D754 VanDerWaalsContact CB-CG 3.4Å; A464-D754 VanDerWaalsContact CB-OD2 3.26Å; A464-D754 WeakPolarHBondContact CB-OD2 3.16Å; A464-D754 PolarHBondContact N-O 3.49Å |
| 465 | S | 85.6 | Confident | 84.9 | Confident | 111 Ų | 111 | 30.1 Ų | 30.1 | 78% | 0.776 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4 | 179.9 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | V463 | V463-S465 PolarHBondContact O-N 2.93Š|
| 466 | S | 86.4 | Confident | 84.5 | Confident | 8 Ų | 8 | 29 Ų | 29 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | trans | -76.3 | 134.3 | -174.5 | -174.8 | 0 | 0 | 0 | 0 | 113 | Q206 V463 A464 A468 R469 | Q206-S466 WeakPolarHBondContact CG-OG 3.27Å; Q206-S466 PolarHBondContact NE2-OG 3.37Å; V463-S466 WeakPolarHBondContact O-CB 3.41Å; V463-S466 PolarHBondContact O-N 3.3Å; A464-S466 PolarHBondContact O-N 3.15Å; S466-A468 PolarHBondContact O-N 3.18Å; S466-A468 PolarHBondContact OG-N 3.04Å; S466-R469 VanDerWaalsContact O-CB 3.29Å; S466-R469 WeakPolarHBondContact O-CB 3.5Å; S466-R469 PolarHBondContact O-N 2.82Å | ||
| 467 | P | 82 | Confident | 84.4 | Confident | 74 Ų | 74 | 33.5 Ų | 33.5 | 48% | 0.481 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.5 | -32.3 | 169.6 | -23.6 | 33.5 | 0 | 0 | 0 | 113.3 | I196 R469 R470 F471 | I196-P467 HydrophobicContact CG2-CB 4.41Å; P467-R469 PolarHBondContact O-N 3.17Å; P467-R470 PolarHBondContact O-N 2.85Å; P467-F471 PolarHBondContact O-N 2.74Å |
| 468 | A | 84.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -26.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F202 L203 Q206 V462 S466 S472 | F202-A468 HydrophobicContact CD1-CB 4.24Å; F202-A468 HydrophobicContact CE1-CB 3.79Å; L203-A468 HydrophobicContact CD1-CB 4.34Å; Q206-A468 HydrophobicContact CB-CB 4.2Å; Q206-A468 HydrophobicContact CG-CB 3.79Å; V462-A468 HydrophobicContact CG1-CB 4.33Å; S466-A468 PolarHBondContact O-N 3.18Å; S466-A468 PolarHBondContact OG-N 3.04Å; A468-S472 VanDerWaalsContact O-CB 3.3Å; A468-S472 WeakPolarHBondContact O-CB 3.43Å; A468-S472 PolarHBondContact O-N 3.34Å; A468-S472 PolarHBondContact O-OG 2.72Å |
| 469 | R | 87.1 | Confident | 83.7 | Confident | 66 Ų | 66 | 35 Ų | 35 | 25% | 0.249 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -52.2 | 177.8 | -174.3 | 172.5 | 174.5 | 154.4 | -6.5 | 110.9 | V462 A464 S466 P467 F471 S472 E473 | V462-R469 HydrophobicContact CG2-CB 3.61Å; V462-R469 HydrophobicContact CG2-CG 4.14Å; A464-R469 VanDerWaalsContact CA-NH1 3.31Å; S466-R469 VanDerWaalsContact O-CB 3.29Å; S466-R469 WeakPolarHBondContact O-CB 3.5Å; S466-R469 PolarHBondContact O-N 2.82Å; P467-R469 PolarHBondContact O-N 3.17Å; R469-F471 VanDerWaalsContact C-N 3.32Å; R469-F471 PolarHBondContact O-N 2.94Å; R469-S472 PolarHBondContact O-N 2.72Å; R469-S472 VanDerWaalsContact O-N 3.13Å; R469-E473 HydrophobicContact CG-CG 4.4Å; R469-E473 WeakPolarHBondContact CG-OE1 3.26Å; R469-E473 IonicContact CZ-OE1 2.63Å; R469-E473 IonicContact NE-OE1 3.62Å; R469-E473 PolarHBondContact NE-OE1 3.3Å; R469-E473 IonicContact NH2-OE1 3.7Å; R469-E473 WeakPolarHBondContact O-CG 3.46Å; R469-E473 PolarHBondContact O-N 3Å |
| 470 | R | 85 | Confident | 83.1 | Confident | 104 Ų | 104 | 34.8 Ų | 34.8 | 39% | 0.392 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.3 | -44.4 | -180 | -179.1 | 58 | 176.9 | 179.4 | -2.7 | 111.2 | E89 I196 P467 S472 E473 L474 | E89-R470 VanDerWaalsContact CD-NH2 3.33Å; E89-R470 IonicContact OE1-CZ 2.69Å; E89-R470 IonicContact OE1-NE 3.91Å; E89-R470 IonicContact OE1-NH2 3.95Å; E89-R470 PolarHBondContact OE1-NH2 3.14Å; E89-R470 IonicContact OE2-CZ 3.12Å; E89-R470 IonicContact OE2-NE 3.04Å; E89-R470 PolarHBondContact OE2-NE 3.38Å; E89-R470 IonicContact OE2-NH2 3.49Å; E89-R470 PolarHBondContact OE2-NH2 2.96Å; I196-R470 HydrophobicContact CD1-CB 3.89Å; I196-R470 HydrophobicContact CD1-CG 3.49Å; I196-R470 VanDerWaalsContact CD1-CG 3.49Å; P467-R470 PolarHBondContact O-N 2.85Å; R470-S472 PolarHBondContact O-N 3.41Å; R470-E473 PolarHBondContact O-N 2.97Å; R470-L474 HydrophobicContact CG-CD1 4.14Å; R470-L474 VanDerWaalsContact O-CG 3.26Å; R470-L474 WeakPolarHBondContact O-CG 3.48Å; R470-L474 PolarHBondContact O-N 3.28Å; R470-L474 VanDerWaalsContact O-N 3.11Å |
| 471 | F | 84.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.7 | -50.2 | 173.9 | -178.9 | -87.1 | 0 | 0 | 0 | 111.7 | Q85 L87 I196 F198 P467 R469 E473 L474 M475 | Q85-F471 HydrophobicContact CB-CE2 4.31Å; Q85-F471 HydrophobicContact CB-CZ 4.15Å; L87-F471 HydrophobicContact CB-CD2 3.77Å; L87-F471 HydrophobicContact CB-CE2 3.74Å; L87-F471 HydrophobicContact CD1-CD2 3.96Å; L87-F471 HydrophobicContact CD1-CE2 4.02Å; L87-F471 HydrophobicContact CG-CD2 4.45Å; I196-F471 HydrophobicContact CB-CD2 4.5Å; I196-F471 HydrophobicContact CG2-CB 3.8Å; I196-F471 HydrophobicContact CG2-CD2 4.35Å; F198-F471 HydrophobicContact CB-CD1 3.66Å; F198-F471 HydrophobicContact CB-CD2 3.47Å; F198-F471 VanDerWaalsContact CB-CD2 3.47Å; F198-F471 HydrophobicContact CB-CE1 3.54Å; F198-F471 HydrophobicContact CB-CE2 3.33Å; F198-F471 HydrophobicContact CB-CG 3.62Å; F198-F471 HydrophobicContact CB-CZ 3.38Å; F198-F471 AromaticContact CD1-CD1 3.83Å; F198-F471 HydrophobicContact CD1-CD1 3.83Å; F198-F471 AromaticContact CD1-CE1 3.14Å; F198-F471 HydrophobicContact CD1-CE1 3.14Å; F198-F471 HydrophobicContact CD1-CE2 4.31Å; F198-F471 AromaticContact CD1-CZ 3.44Å; F198-F471 HydrophobicContact CD1-CZ 3.44Å; F198-F471 VanDerWaalsContact CD1-CZ 3.44Å; F198-F471 HydrophobicContact CD2-CB 4.21Å; F198-F471 AromaticContact CD2-CD1 3.07Å; F198-F471 HydrophobicContact CD2-CD1 3.07Å; F198-F471 HydrophobicContact CD2-CD2 4.38Å; F198-F471 AromaticContact CD2-CE1 3.38Å; F198-F471 HydrophobicContact CD2-CE1 3.38Å; F198-F471 AromaticContact CD2-CG 3.64Å; F198-F471 HydrophobicContact CD2-CG 3.64Å; F198-F471 HydrophobicContact CD2-CZ 4.16Å; F198-F471 HydrophobicContact CE1-CD1 4.19Å; F198-F471 AromaticContact CE1-CE1 3.52Å; F198-F471 HydrophobicContact CE1-CE1 3.52Å; F198-F471 HydrophobicContact CE1-CZ 4.19Å; F198-F471 AromaticContact CE2-CD1 3.47Å; F198-F471 HydrophobicContact CE2-CD1 3.47Å; F198-F471 VanDerWaalsContact CE2-CD1 3.47Å; F198-F471 AromaticContact CE2-CE1 3.71Å; F198-F471 HydrophobicContact CE2-CE1 3.71Å; F198-F471 HydrophobicContact CE2-CG 4.41Å; F198-F471 AromaticContact CG-CD1 3.24Å; F198-F471 HydrophobicContact CG-CD1 3.24Å; F198-F471 HydrophobicContact CG-CD2 4.05Å; F198-F471 AromaticContact CG-CE1 3.05Å; F198-F471 HydrophobicContact CG-CE1 3.05Å; F198-F471 AromaticContact CG-CE2 3.89Å; F198-F471 HydrophobicContact CG-CE2 3.89Å; F198-F471 AromaticContact CG-CG 3.75Å; F198-F471 HydrophobicContact CG-CG 3.75Å; F198-F471 AromaticContact CG-CZ 3.41Å; F198-F471 HydrophobicContact CG-CZ 3.41Å; F198-F471 VanDerWaalsContact CG-CZ 3.41Å; F198-F471 HydrophobicContact CZ-CD1 4.02Å; F198-F471 AromaticContact CZ-CE1 3.78Å; F198-F471 HydrophobicContact CZ-CE1 3.78Å; P467-F471 PolarHBondContact O-N 2.74Å; R469-F471 VanDerWaalsContact C-N 3.32Å; R469-F471 PolarHBondContact O-N 2.94Å; F471-E473 PolarHBondContact O-N 3.01Å; F471-L474 PolarHBondContact O-N 3.3Å; F471-M475 HydrophobicContact CD1-CG 3.84Å; F471-M475 HydrophobicContact CE1-CB 4.42Å; F471-M475 HydrophobicContact CE1-CG 3.4Å; F471-M475 HydrophobicContact CE1-SD 4.43Å; F471-M475 HydrophobicContact CE2-CG 4.18Å; F471-M475 HydrophobicContact CE2-SD 4.48Å; F471-M475 HydrophobicContact CG-CG 4.4Å; F471-M475 HydrophobicContact CZ-CE 4.35Å; F471-M475 HydrophobicContact CZ-CG 3.59Å; F471-M475 HydrophobicContact CZ-SD 4.05Å; F471-M475 VanDerWaalsContact O-CG 3.29Å; F471-M475 WeakPolarHBondContact O-CG 3.35Å; F471-M475 PolarHBondContact O-N 3.41Å |
| 472 | S | 84.5 | Confident | 82.3 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | -176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | A468 R469 R470 L474 M475 D476 | A468-S472 VanDerWaalsContact O-CB 3.3Å; A468-S472 WeakPolarHBondContact O-CB 3.43Å; A468-S472 PolarHBondContact O-N 3.34Å; A468-S472 PolarHBondContact O-OG 2.72Å; R469-S472 PolarHBondContact O-N 2.72Å; R469-S472 VanDerWaalsContact O-N 3.13Å; R470-S472 PolarHBondContact O-N 3.41Å; S472-L474 PolarHBondContact O-N 3.33Å; S472-M475 PolarHBondContact O-N 3.44Å; S472-D476 WeakPolarHBondContact O-CB 3.29Å; S472-D476 PolarHBondContact O-N 3.48Å; S472-D476 VanDerWaalsContact O-OD2 3.05Å |
| 473 | E | 85.8 | Confident | 81.9 | Confident | 67 Ų | 67 | 39.1 Ų | 39.1 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.9 | -72.9 | 172.7 | -179.3 | 0 | 0 | 112.4 | R469 R470 F471 D476 H477 | R469-E473 HydrophobicContact CG-CG 4.4Å; R469-E473 WeakPolarHBondContact CG-OE1 3.26Å; R469-E473 IonicContact CZ-OE1 2.63Å; R469-E473 IonicContact NE-OE1 3.62Å; R469-E473 PolarHBondContact NE-OE1 3.3Å; R469-E473 IonicContact NH2-OE1 3.7Å; R469-E473 WeakPolarHBondContact O-CG 3.46Å; R469-E473 PolarHBondContact O-N 3Å; R470-E473 PolarHBondContact O-N 2.97Å; F471-E473 PolarHBondContact O-N 3.01Å; E473-D476 PolarHBondContact O-N 2.87Å; E473-H477 WeakPolarHBondContact O-CB 3.31Å; E473-H477 PolarHBondContact O-N 2.93Å |
| 474 | L | 82.8 | Confident | 81.6 | Confident | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 176.8 | -66.8 | 170.3 | 0 | 0 | 0 | 111.1 | L87 E89 I154 I196 R470 F471 S472 H477 Y478 | L87-L474 HydrophobicContact CD1-CB 4.22Å; L87-L474 HydrophobicContact CD1-CD1 4.13Å; L87-L474 HydrophobicContact CD2-CD1 3.65Å; E89-L474 HydrophobicContact CB-CD1 4.46Å; E89-L474 HydrophobicContact CG-CD1 4.28Å; E89-L474 WeakPolarHBondContact OE2-CD1 3.08Å; I154-L474 HydrophobicContact CD1-CB 4.11Å; I154-L474 HydrophobicContact CD1-CD1 4.41Å; I154-L474 HydrophobicContact CD1-CD2 3.94Å; I154-L474 HydrophobicContact CD1-CG 4.38Å; I196-L474 HydrophobicContact CD1-CD1 4.44Å; R470-L474 HydrophobicContact CG-CD1 4.14Å; R470-L474 VanDerWaalsContact O-CG 3.26Å; R470-L474 WeakPolarHBondContact O-CG 3.48Å; R470-L474 PolarHBondContact O-N 3.28Å; R470-L474 VanDerWaalsContact O-N 3.11Å; F471-L474 PolarHBondContact O-N 3.3Å; S472-L474 PolarHBondContact O-N 3.33Å; L474-H477 PolarHBondContact O-N 3.37Å; L474-Y478 HydrophobicContact CD2-CD2 4.46Å; L474-Y478 HydrophobicContact CD2-CE2 4.06Å; L474-Y478 WeakPolarHBondContact O-CB 3.48Å; L474-Y478 VanDerWaalsContact O-CD2 3.25Å; L474-Y478 WeakPolarHBondContact O-CD2 3.44Å; L474-Y478 PolarHBondContact O-N 2.93Å |
| 475 | M | 79.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 178 | -67.1 | -61.3 | -74.7 | 0 | 0 | 111.8 | L87 M143 T156 F471 S472 H477 Y479 L480 | L87-M475 HydrophobicContact CD1-SD 4.19Å; M143-M475 HydrophobicContact CE-CE 4.15Å; M143-M475 HydrophobicContact CE-SD 3.85Å; M143-M475 HydrophobicContact SD-SD 4.44Å; T156-M475 HydrophobicContact CG2-SD 4.32Å; F471-M475 HydrophobicContact CD1-CG 3.84Å; F471-M475 HydrophobicContact CE1-CB 4.42Å; F471-M475 HydrophobicContact CE1-CG 3.4Å; F471-M475 HydrophobicContact CE1-SD 4.43Å; F471-M475 HydrophobicContact CE2-CG 4.18Å; F471-M475 HydrophobicContact CE2-SD 4.48Å; F471-M475 HydrophobicContact CG-CG 4.4Å; F471-M475 HydrophobicContact CZ-CE 4.35Å; F471-M475 HydrophobicContact CZ-CG 3.59Å; F471-M475 HydrophobicContact CZ-SD 4.05Å; F471-M475 VanDerWaalsContact O-CG 3.29Å; F471-M475 WeakPolarHBondContact O-CG 3.35Å; F471-M475 PolarHBondContact O-N 3.41Å; S472-M475 PolarHBondContact O-N 3.44Å; M475-H477 PolarHBondContact O-N 3.5Å; M475-Y479 HydrophobicContact CE-CD1 4.14Å; M475-Y479 HydrophobicContact CE-CD2 3.3Å; M475-Y479 HydrophobicContact CE-CE2 3.93Å; M475-Y479 HydrophobicContact CE-CG 3.41Å; M475-Y479 VanDerWaalsContact CE-CG 3.41Å; M475-Y479 WeakPolarHBondContact O-CA 3.48Å; M475-Y479 WeakPolarHBondContact O-CB 3.29Å; M475-Y479 PolarHBondContact O-N 3.33Å; M475-Y479 HydrophobicContact SD-CD2 4.45Å; M475-L480 PolarHBondContact O-N 3.44Å |
| 476 | D | 77.7 | Confident | 81.6 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -38.9 | 173.8 | -70.6 | -37.7 | 0 | 0 | 0 | 111 | T457 S459 S472 E473 L480 R622 | T457-D476 VanDerWaalsContact CB-OD2 3.24Å; T457-D476 WeakPolarHBondContact CB-OD2 3.34Å; T457-D476 HydrophobicContact CG2-CB 4.37Å; T457-D476 WeakPolarHBondContact CG2-OD2 3.42Å; S459-D476 PolarHBondContact OG-OD2 3.05Å; S472-D476 WeakPolarHBondContact O-CB 3.29Å; S472-D476 PolarHBondContact O-N 3.48Å; S472-D476 VanDerWaalsContact O-OD2 3.05Å; E473-D476 PolarHBondContact O-N 2.87Å; D476-L480 HydrophobicContact CB-CD1 4.31Å; D476-L480 WeakPolarHBondContact O-CB 2.91Å; D476-L480 WeakPolarHBondContact O-CD1 3.4Å; D476-L480 WeakPolarHBondContact O-CG 3.18Å; D476-R622 IonicContact OD1-CZ 3.48Å; D476-R622 IonicContact OD1-NE 2.67Å; D476-R622 IonicContact OD1-NH2 3.57Å; D476-R622 PolarHBondContact OD1-NH2 3.1Å; D476-R622 IonicContact OD2-NH2 3.99Å |
| 477 | H | 79.1 | Confident | 81.9 | Confident | 106 Ų | 106 | 35.8 Ų | 35.8 | 49% | 0.491 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -76.3 | -39.8 | -178.2 | -166.5 | 78.4 | 0 | 0 | 0 | 114.1 | E473 L474 M475 K481 | E473-H477 WeakPolarHBondContact O-CB 3.31Å; E473-H477 PolarHBondContact O-N 2.93Å; L474-H477 PolarHBondContact O-N 3.37Å; M475-H477 PolarHBondContact O-N 3.5Å; H477-K481 WeakPolarHBondContact O-CE 3.38Å |
| 478 | Y | 76.4 | Confident | 82.4 | Confident | 37 Ų | 37 | 32.5 Ų | 32.5 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -106.8 | -44.3 | -171.5 | -65 | -70.9 | 0 | 0 | 0 | 113.4 | M143 D144 I154 L474 K481 | M143-Y478 HydrophobicContact CB-CG 4.45Å; M143-Y478 VanDerWaalsContact SD-CB 3.57Å; D144-Y478 HydrophobicContact CB-CD1 3.7Å; D144-Y478 HydrophobicContact CB-CE1 3.38Å; D144-Y478 VanDerWaalsContact CG-CE1 3.44Å; I154-Y478 HydrophobicContact CD1-CD2 3.24Å; I154-Y478 HydrophobicContact CD1-CE2 3.39Å; I154-Y478 HydrophobicContact CD1-CG 4.07Å; I154-Y478 HydrophobicContact CG1-CD2 4.49Å; I154-Y478 HydrophobicContact CG1-CE2 4.44Å; L474-Y478 HydrophobicContact CD2-CD2 4.46Å; L474-Y478 HydrophobicContact CD2-CE2 4.06Å; L474-Y478 WeakPolarHBondContact O-CB 3.48Å; L474-Y478 VanDerWaalsContact O-CD2 3.25Å; L474-Y478 WeakPolarHBondContact O-CD2 3.44Å; L474-Y478 PolarHBondContact O-N 2.93Å; Y478-K481 WeakPolarHBondContact O-CB 3.36Å; Y478-K481 PolarHBondContact O-N 3.14Å |
| 479 | Y | 72 | Confident | 82.8 | Confident | 36 Ų | 36 | 32.5 Ų | 32.5 | 14% | 0.141 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -70.9 | -32.5 | -177 | -166.9 | -96.9 | 0 | 0 | 0 | 112.5 | M143 M475 K481 T482 T483 | M143-Y479 HydrophobicContact CE-CD2 3.66Å; M143-Y479 HydrophobicContact CE-CG 4.48Å; M475-Y479 HydrophobicContact CE-CD1 4.14Å; M475-Y479 HydrophobicContact CE-CD2 3.3Å; M475-Y479 HydrophobicContact CE-CE2 3.93Å; M475-Y479 HydrophobicContact CE-CG 3.41Å; M475-Y479 VanDerWaalsContact CE-CG 3.41Å; M475-Y479 WeakPolarHBondContact O-CA 3.48Å; M475-Y479 WeakPolarHBondContact O-CB 3.29Å; M475-Y479 PolarHBondContact O-N 3.33Å; M475-Y479 HydrophobicContact SD-CD2 4.45Å; Y479-K481 PolarHBondContact O-N 2.9Å; Y479-K481 VanDerWaalsContact O-N 3.1Å; Y479-T482 CarbonylContact O-C 3.57Å; Y479-T482 PolarHBondContact O-N 3.11Å; Y479-T483 PolarHBondContact OH-OG1 3.13Å |
| 480 | L | 72.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -68.4 | -5.4 | 174.8 | -64.3 | 179.9 | 0 | 0 | 0 | 113.4 | M475 D476 T590 W597 I626 | M475-L480 PolarHBondContact O-N 3.44Å; D476-L480 HydrophobicContact CB-CD1 4.31Å; D476-L480 WeakPolarHBondContact O-CB 2.91Å; D476-L480 WeakPolarHBondContact O-CD1 3.4Å; D476-L480 WeakPolarHBondContact O-CG 3.18Å; L480-T590 VanDerWaalsContact O-CG2 3.31Å; L480-T590 WeakPolarHBondContact O-CG2 3.42Å; L480-W597 PolarHBondContact O-NE1 3.11Å; L480-I626 HydrophobicContact CD1-CD1 4.27Å; L480-I626 HydrophobicContact CD2-CD1 3.79Å |
| 481 | K | 78.4 | Confident | 83.1 | Confident | 81 Ų | 81 | 33.2 Ų | 33.2 | 35% | 0.352 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -88.2 | -32.6 | 175.8 | -65.3 | 179.2 | -178.2 | 165.9 | 0 | 113.2 | H477 Y478 Y479 H589 T590 | H477-K481 WeakPolarHBondContact O-CE 3.38Å; Y478-K481 WeakPolarHBondContact O-CB 3.36Å; Y478-K481 PolarHBondContact O-N 3.14Å; Y479-K481 PolarHBondContact O-N 2.9Å; Y479-K481 VanDerWaalsContact O-N 3.1Å; K481-H589 CarbonylContact O-C 3.43Å; K481-H589 WeakPolarHBondContact O-CA 3.28Å; K481-H589 WeakPolarHBondContact O-CB 3.44Å; K481-T590 WeakPolarHBondContact CA-O 3.45Å; K481-T590 PolarHBondContact O-N 3.48Å |
| 482 | T | 80.1 | Confident | 83.4 | Confident | 33 Ų | 33 | 34.6 Ų | 34.6 | 20% | 0.202 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 131.1 | -177.8 | -175.9 | 0 | 0 | 0 | 0 | 110 | Y479 F588 | Y479-T482 CarbonylContact O-C 3.57Å; Y479-T482 PolarHBondContact O-N 3.11Å; T482-F588 WeakPolarHBondContact CA-O 3.13Å |
| 483 | T | 79.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.7 | 178.5 | -165.9 | 0 | 0 | 0 | 0 | 110.7 | Y479 L485 N587 F588 W597 Q623 | Y479-T483 PolarHBondContact OH-OG1 3.13Å; T483-L485 HydrophobicContact CG2-CD1 4.42Å; T483-L485 HydrophobicContact CG2-CD2 3.64Å; T483-L485 HydrophobicContact CG2-CG 3.8Å; T483-N587 WeakPolarHBondContact O-CA 3.2Å; T483-F588 PolarHBondContact N-O 2.87Å; T483-F588 PolarHBondContact O-N 2.94Å; T483-W597 HydrophobicContact CG2-CH2 3.35Å; T483-W597 HydrophobicContact CG2-CZ2 3.65Å; T483-W597 HydrophobicContact CG2-CZ3 4.2Å; T483-Q623 HydrophobicContact CG2-CG 4.16Å; T483-Q623 PolarHBondContact OG1-NE2 2.86Å |
| 484 | E | 82.5 | Confident | 83.8 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 17% | 0.173 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 138.3 | 160.8 | -173.2 | 170.6 | -145.7 | 0 | 0 | 108.4 | Y140 T585 N587 | Y140-E484 HydrophobicContact CD1-CB 4.11Å; Y140-E484 HydrophobicContact CE1-CB 4.09Å; Y140-E484 WeakPolarHBondContact CE1-OE2 3.1Å; Y140-E484 PolarHBondContact OH-OE2 3.37Å; Y140-E484 VanDerWaalsContact OH-OE2 3.13Å; E484-T585 HydrophobicContact CG-CG2 4.08Å; E484-T585 WeakPolarHBondContact OE1-CB 3.2Å; E484-T585 PolarHBondContact OE1-OG1 3.08Å; E484-N587 WeakPolarHBondContact CA-OD1 3.35Å; E484-N587 WeakPolarHBondContact CB-OD1 3.22Å; E484-N587 PolarHBondContact N-OD1 2.83Å |
| 485 | L | 86.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.9 | 178.4 | -62.8 | 166.4 | 0 | 0 | 0 | 109.8 | T483 T585 T586 F588 W597 W604 V618 G620 | T483-L485 HydrophobicContact CG2-CD1 4.42Å; T483-L485 HydrophobicContact CG2-CD2 3.64Å; T483-L485 HydrophobicContact CG2-CG 3.8Å; L485-T585 VanDerWaalsContact O-CA 3.23Å; L485-T585 WeakPolarHBondContact O-CA 3.34Å; L485-T586 PolarHBondContact N-O 2.87Å; L485-T586 PolarHBondContact O-N 3.24Å; L485-F588 HydrophobicContact CD1-CB 3.73Å; L485-F588 HydrophobicContact CD1-CD2 3.56Å; L485-F588 HydrophobicContact CD1-CE2 4.39Å; L485-F588 HydrophobicContact CD1-CG 3.78Å; L485-W597 HydrophobicContact CD1-CZ3 4.31Å; L485-W604 HydrophobicContact CD1-CH2 3.08Å; L485-W604 HydrophobicContact CD1-CZ2 2.93Å; L485-W604 HydrophobicContact CD1-CZ3 4.11Å; L485-W604 HydrophobicContact CD2-CH2 3.88Å; L485-W604 HydrophobicContact CD2-CZ3 4.49Å; L485-W604 HydrophobicContact CG-CH2 4.12Å; L485-W604 HydrophobicContact CG-CZ2 4.3Å; L485-V618 HydrophobicContact CD1-CG1 4.41Å; L485-G620 VanDerWaalsContact CD2-CA 3.49Å |
| 486 | H | 87.8 | Confident | 84.4 | Confident | 70 Ų | 70 | 35.3 Ų | 35.3 | 32% | 0.324 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.9 | 177.2 | -61.1 | -84 | 0 | 0 | 0 | 109.3 | F488 Y583 T585 Y619 | H486-F488 HydrophobicContact CB-CD2 4.15Å; H486-F488 HydrophobicContact CB-CE2 3.47Å; H486-F488 VanDerWaalsContact CB-CE2 3.47Å; H486-F488 HydrophobicContact CB-CZ 3.99Å; H486-Y583 HydrophobicContact CB-CD2 4.41Å; H486-Y583 AromaticContact ND1-CD2 3.61Å; H486-Y583 AromaticContact ND1-CE2 3.55Å; H486-T585 WeakPolarHBondContact ND1-CG2 3.42Å; H486-Y619 PolarHBondContact N-O 2.98Å; H486-Y619 VanDerWaalsContact N-O 3.09Å; H486-Y619 PolarHBondContact O-N 3.1Å |
| 487 | V | 92.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 106.8 | 173.5 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | I489 F507 L511 Y583 F584 T586 I617 V618 | V487-I489 HydrophobicContact CG1-CD1 4.32Å; V487-F507 HydrophobicContact CG1-CE1 3.94Å; V487-F507 HydrophobicContact CG1-CZ 3.91Å; V487-L511 HydrophobicContact CG1-CD1 4.26Å; V487-L511 HydrophobicContact CG2-CD1 4.28Å; V487-Y583 CarbonylContact O-C 3.55Å; V487-Y583 WeakPolarHBondContact O-CA 3.16Å; V487-Y583 WeakPolarHBondContact O-CB 3.34Å; V487-F584 HydrophobicContact CB-CD1 3.98Å; V487-F584 HydrophobicContact CB-CD2 4.14Å; V487-F584 HydrophobicContact CB-CE1 3.59Å; V487-F584 HydrophobicContact CB-CE2 3.76Å; V487-F584 HydrophobicContact CB-CG 4.26Å; V487-F584 HydrophobicContact CB-CZ 3.48Å; V487-F584 VanDerWaalsContact CB-CZ 3.48Å; V487-F584 HydrophobicContact CG1-CD1 4.3Å; V487-F584 HydrophobicContact CG1-CE1 3.49Å; V487-F584 VanDerWaalsContact CG1-CE1 3.49Å; V487-F584 HydrophobicContact CG1-CE2 4.24Å; V487-F584 HydrophobicContact CG1-CZ 3.46Å; V487-F584 VanDerWaalsContact CG1-CZ 3.46Å; V487-F584 HydrophobicContact CG2-CD2 4.35Å; V487-F584 HydrophobicContact CG2-CE1 4.48Å; V487-F584 HydrophobicContact CG2-CE2 3.79Å; V487-F584 HydrophobicContact CG2-CZ 3.88Å; V487-F584 PolarHBondContact N-O 3.44Å; V487-F584 PolarHBondContact O-N 2.99Å; V487-T586 HydrophobicContact CG2-CG2 3.85Å; V487-I617 CarbonylContact C-O 3.53Å; V487-I617 WeakPolarHBondContact CA-O 3.36Å; V487-V618 HydrophobicContact CG1-CG2 4.26Å; V487-V618 HydrophobicContact CG2-CG1 4.29Å; V487-V618 HydrophobicContact CG2-CG2 4.21Å |
| 488 | F | 91.7 | Very high | 85.5 | Confident | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.022 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.1 | 178 | -66.2 | -93.7 | 0 | 0 | 0 | 110.1 | V67 F70 W71 H486 Y583 P616 I617 Y619 | V67-F488 HydrophobicContact CG1-CE1 4.25Å; V67-F488 HydrophobicContact CG1-CE2 3.93Å; V67-F488 HydrophobicContact CG1-CZ 3.72Å; V67-F488 HydrophobicContact CG2-CD2 3.73Å; V67-F488 HydrophobicContact CG2-CE2 3.74Å; V67-F488 HydrophobicContact CG2-CG 4.23Å; V67-F488 HydrophobicContact CG2-CZ 4.26Å; F70-F488 HydrophobicContact CB-CD1 4.46Å; F70-F488 AromaticContact CD1-CD1 3.68Å; F70-F488 HydrophobicContact CD1-CD1 3.68Å; F70-F488 AromaticContact CD1-CE1 3.63Å; F70-F488 HydrophobicContact CD1-CE1 3.63Å; F70-F488 HydrophobicContact CD2-CD1 4.14Å; F70-F488 AromaticContact CE1-CD1 3.87Å; F70-F488 HydrophobicContact CE1-CD1 3.87Å; F70-F488 AromaticContact CE1-CE1 3.85Å; F70-F488 HydrophobicContact CE1-CE1 3.85Å; F70-F488 HydrophobicContact CE2-CD1 4.28Å; F70-F488 AromaticContact CG-CD1 3.84Å; F70-F488 HydrophobicContact CG-CD1 3.84Å; F70-F488 HydrophobicContact CG-CE1 4.19Å; F70-F488 HydrophobicContact CZ-CD1 4.16Å; W71-F488 AromaticContact CE2-CE1 3.91Å; W71-F488 AromaticContact CZ2-CE1 3.81Å; W71-F488 HydrophobicContact CZ2-CE1 3.81Å; W71-F488 AromaticContact CZ2-CZ 3.9Å; W71-F488 HydrophobicContact CZ2-CZ 3.9Å; W71-F488 AromaticContact NE1-CE1 3.83Å; W71-F488 AromaticContact NE1-CZ 3.77Å; H486-F488 HydrophobicContact CB-CD2 4.15Å; H486-F488 HydrophobicContact CB-CE2 3.47Å; H486-F488 VanDerWaalsContact CB-CE2 3.47Å; H486-F488 HydrophobicContact CB-CZ 3.99Å; F488-Y583 HydrophobicContact CD1-CD1 4.38Å; F488-Y583 HydrophobicContact CD1-CG 4.28Å; F488-Y583 AromaticContact CE1-CD1 3.94Å; F488-Y583 HydrophobicContact CE1-CD1 3.94Å; F488-Y583 HydrophobicContact CE1-CG 4Å; F488-Y583 HydrophobicContact CZ-CG 4.44Å; F488-P616 CarbonylContact O-C 3.56Å; F488-P616 WeakPolarHBondContact O-CA 3.25Å; F488-I617 HydrophobicContact CB-CB 4.36Å; F488-I617 PolarHBondContact N-O 3.05Å; F488-I617 PolarHBondContact O-N 3.43Å; F488-Y619 HydrophobicContact CE2-CD1 4.2Å; F488-Y619 HydrophobicContact CE2-CG 4.35Å |
| 489 | I | 93.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 104.6 | 173.1 | -56.5 | -58.6 | 0 | 0 | 0 | 106.9 | V487 P492 F504 F507 G581 F582 F584 F614 P616 | V487-I489 HydrophobicContact CG1-CD1 4.32Å; I489-P492 HydrophobicContact CG2-CB 4.49Å; I489-F504 HydrophobicContact CD1-CE2 3.96Å; I489-F504 HydrophobicContact CG1-CE2 3.91Å; I489-F507 HydrophobicContact CD1-CE1 3.87Å; I489-F507 HydrophobicContact CD1-CZ 4.49Å; I489-G581 VanDerWaalsContact O-CA 3.27Å; I489-G581 WeakPolarHBondContact O-CA 3.4Å; I489-F582 HydrophobicContact CB-CD1 4.17Å; I489-F582 HydrophobicContact CB-CD2 4.36Å; I489-F582 HydrophobicContact CB-CE1 3.85Å; I489-F582 HydrophobicContact CB-CE2 4.06Å; I489-F582 HydrophobicContact CB-CG 4.42Å; I489-F582 HydrophobicContact CB-CZ 3.79Å; I489-F582 HydrophobicContact CG1-CD2 4.28Å; I489-F582 HydrophobicContact CG1-CE1 4.25Å; I489-F582 HydrophobicContact CG1-CE2 3.66Å; I489-F582 HydrophobicContact CG1-CZ 3.64Å; I489-F582 HydrophobicContact CG2-CD1 4.41Å; I489-F582 HydrophobicContact CG2-CE1 3.8Å; I489-F582 HydrophobicContact CG2-CZ 3.97Å; I489-F582 PolarHBondContact N-O 3.08Å; I489-F582 PolarHBondContact O-N 2.98Å; I489-F582 VanDerWaalsContact O-N 3.07Å; I489-F584 HydrophobicContact CD1-CE1 4.32Å; I489-F584 HydrophobicContact CG1-CD1 4.5Å; I489-F584 HydrophobicContact CG1-CE1 4.19Å; I489-F614 HydrophobicContact CG2-CB 4.24Å; I489-P616 HydrophobicContact CD1-CB 3.79Å |
| 490 | Q | 88.1 | Confident | 87.3 | Confident | 64 Ų | 64 | 42.4 Ų | 42.4 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -79.5 | -30.3 | -178.8 | -66.1 | -176.9 | 91 | 0 | 0 | 111.8 | S580 E615 | Q490-S580 VanDerWaalsContact O-O 3.11Å; Q490-E615 HydrophobicContact CB-CB 4.03Å; Q490-E615 PolarHBondContact NE2-O 3.45Å |
| 491 | K | 89.9 | Confident | 88.3 | Confident | 121 Ų | 121 | 42.7 Ų | 42.7 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -120.7 | 90.7 | 177 | -168.7 | 170.9 | 177.7 | -176.9 | 0 | 110.3 | E613 F614 | K491-E613 WeakPolarHBondContact CD-O 3.05Å; K491-F614 PolarHBondContact N-O 2.74Å; K491-F614 VanDerWaalsContact N-O 3.09Å; K491-F614 VanDerWaalsContact O-CA 3.29Å; K491-F614 WeakPolarHBondContact O-CA 3.25Å |
| 492 | P | 90.4 | Very high | 89 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 19% | 0.188 | 23% | 0.226 | C | C | . | . | trans | -67.6 | 147.6 | -174.9 | 27.3 | -33.6 | 0 | 0 | 0 | 111.9 | I489 I579 F582 | I489-P492 HydrophobicContact CG2-CB 4.49Å; P492-I579 HydrophobicContact CB-CB 4.48Å; P492-I579 HydrophobicContact CB-CG2 4.12Å; P492-I579 HydrophobicContact CG-CB 4.1Å; P492-I579 HydrophobicContact CG-CG2 3.92Å; P492-I579 WeakPolarHBondContact CG-O 3.5Å; P492-F582 HydrophobicContact CB-CD1 3.91Å; P492-F582 HydrophobicContact CB-CE1 3.67Å | ||
| 493 | P | 91.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | trans | -65.8 | 153.4 | 169.5 | 30.5 | -36.8 | 0 | 0 | 0 | 110.7 | F495 Q500 F504 F614 | P493-F495 HydrophobicContact CG-CE1 4.12Å; P493-F495 HydrophobicContact CG-CE2 4.19Å; P493-F495 HydrophobicContact CG-CZ 3.93Å; P493-F495 WeakPolarHBondContact O-CD2 3.34Å; P493-F495 PolarHBondContact O-N 3.21Å; P493-F495 VanDerWaalsContact O-N 3.11Å; P493-Q500 HydrophobicContact CB-CB 3.87Å; P493-F504 HydrophobicContact CB-CB 4.24Å; P493-F504 HydrophobicContact CG-CB 3.76Å; P493-F504 HydrophobicContact CG-CD1 4.19Å; P493-F504 HydrophobicContact CG-CD2 4.33Å; P493-F504 HydrophobicContact CG-CG 3.82Å; P493-F614 HydrophobicContact CB-CD1 4.39Å; P493-F614 HydrophobicContact CB-CE1 3.75Å; P493-F614 HydrophobicContact CB-CZ 4.42Å; P493-F614 HydrophobicContact CG-CE1 4.41Å | ||
| 494 | D | 87.8 | Confident | 90.5 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | trans | -71.4 | 106.3 | 161.8 | -170.6 | -7.8 | 0 | 0 | 0 | 108.9 | R496 N497 Y545 | D494-R496 PolarHBondContact O-N 3.16Å; D494-R496 VanDerWaalsContact O-N 3.08Å; D494-R496 WeakPolarHBondContact OD1-CB 3.4Å; D494-R496 IonicContact OD1-CZ 2.89Å; D494-R496 PolarHBondContact OD1-N 3.44Å; D494-R496 IonicContact OD1-NE 3.86Å; D494-R496 PolarHBondContact OD1-NE 3.47Å; D494-R496 VanDerWaalsContact OD1-NE 3.14Å; D494-R496 IonicContact OD1-NH2 3.84Å; D494-R496 IonicContact OD2-CZ 3.26Å; D494-R496 IonicContact OD2-NE 2.93Å; D494-R496 PolarHBondContact OD2-NE 3.38Å; D494-R496 IonicContact OD2-NH2 3.34Å; D494-R496 PolarHBondContact OD2-NH2 3.16Å; D494-N497 HydrophobicContact CB-CB 4.22Å; D494-N497 WeakPolarHBondContact O-CB 3.38Å; D494-N497 PolarHBondContact O-N 2.64Å; D494-Y545 PolarHBondContact OD1-OH 3.24Å; D494-Y545 VanDerWaalsContact OD1-OH 3.12Å | ||
| 495 | F | 88.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.2 | -179.7 | -68.7 | -84 | 0 | 0 | 0 | 113.7 | P493 L501 F504 W526 Y527 K541 F544 Y545 I579 F582 | P493-F495 HydrophobicContact CG-CE1 4.12Å; P493-F495 HydrophobicContact CG-CE2 4.19Å; P493-F495 HydrophobicContact CG-CZ 3.93Å; P493-F495 WeakPolarHBondContact O-CD2 3.34Å; P493-F495 PolarHBondContact O-N 3.21Å; P493-F495 VanDerWaalsContact O-N 3.11Å; F495-L501 HydrophobicContact CD1-CD1 3.97Å; F495-L501 HydrophobicContact CE1-CD1 4.46Å; F495-F504 HydrophobicContact CE1-CD1 4.38Å; F495-F504 HydrophobicContact CE1-CE1 4.41Å; F495-W526 HydrophobicContact CD1-CH2 4.47Å; F495-W526 HydrophobicContact CD2-CH2 4.05Å; F495-W526 HydrophobicContact CD2-CZ2 4.4Å; F495-W526 HydrophobicContact CE1-CH2 4.12Å; F495-W526 HydrophobicContact CE1-CZ2 4.14Å; F495-W526 AromaticContact CE2-CH2 3.67Å; F495-W526 HydrophobicContact CE2-CH2 3.67Å; F495-W526 AromaticContact CE2-CZ2 3.57Å; F495-W526 HydrophobicContact CE2-CZ2 3.57Å; F495-W526 HydrophobicContact CG-CH2 4.44Å; F495-W526 AromaticContact CZ-CH2 3.71Å; F495-W526 HydrophobicContact CZ-CH2 3.71Å; F495-W526 AromaticContact CZ-CZ2 3.4Å; F495-W526 HydrophobicContact CZ-CZ2 3.4Å; F495-W526 VanDerWaalsContact CZ-CZ2 3.4Å; F495-Y527 AromaticContact CD1-CD2 3.37Å; F495-Y527 HydrophobicContact CD1-CD2 3.37Å; F495-Y527 AromaticContact CD1-CE2 3.56Å; F495-Y527 HydrophobicContact CD1-CE2 3.56Å; F495-Y527 HydrophobicContact CD1-CG 4.26Å; F495-Y527 AromaticContact CE1-CD2 3.51Å; F495-Y527 HydrophobicContact CE1-CD2 3.51Å; F495-Y527 HydrophobicContact CE1-CE2 4.12Å; F495-Y527 AromaticContact CE1-CG 3.98Å; F495-Y527 HydrophobicContact CE1-CG 3.98Å; F495-Y527 HydrophobicContact CG-CD2 4.4Å; F495-K541 VanDerWaalsContact O-CE 3.24Å; F495-K541 WeakPolarHBondContact O-CE 3.37Å; F495-F544 HydrophobicContact CB-CD1 3.82Å; F495-F544 HydrophobicContact CB-CD2 4.39Å; F495-F544 HydrophobicContact CB-CE1 3.42Å; F495-F544 VanDerWaalsContact CB-CE1 3.42Å; F495-F544 HydrophobicContact CB-CE2 4.03Å; F495-F544 HydrophobicContact CB-CG 4.3Å; F495-F544 HydrophobicContact CB-CZ 3.52Å; F495-F544 HydrophobicContact CD1-CZ 4.13Å; F495-F544 HydrophobicContact CD2-CE1 4.09Å; F495-F544 HydrophobicContact CD2-CZ 4.4Å; F495-F544 AromaticContact CG-CE1 3.8Å; F495-F544 HydrophobicContact CG-CE1 3.8Å; F495-F544 AromaticContact CG-CZ 3.77Å; F495-F544 HydrophobicContact CG-CZ 3.77Å; F495-Y545 HydrophobicContact CD2-CE1 4.5Å; F495-Y545 PolarHBondContact N-OH 3.41Å; F495-I579 HydrophobicContact CD2-CD1 4.13Å; F495-I579 HydrophobicContact CE2-CD1 3.93Å; F495-F582 HydrophobicContact CE2-CE1 4.2Å; F495-F582 AromaticContact CZ-CE1 3.83Å; F495-F582 HydrophobicContact CZ-CE1 3.83Å; F495-F582 HydrophobicContact CZ-CZ 4.03Å |
| 496 | R | 86.7 | Confident | 91.6 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -25.2 | 171.3 | -60.5 | 173 | -61.7 | -170.7 | -0 | 112.5 | D494 K541 F544 Y545 G574 | D494-R496 PolarHBondContact O-N 3.16Å; D494-R496 VanDerWaalsContact O-N 3.08Å; D494-R496 WeakPolarHBondContact OD1-CB 3.4Å; D494-R496 IonicContact OD1-CZ 2.89Å; D494-R496 PolarHBondContact OD1-N 3.44Å; D494-R496 IonicContact OD1-NE 3.86Å; D494-R496 PolarHBondContact OD1-NE 3.47Å; D494-R496 VanDerWaalsContact OD1-NE 3.14Å; D494-R496 IonicContact OD1-NH2 3.84Å; D494-R496 IonicContact OD2-CZ 3.26Å; D494-R496 IonicContact OD2-NE 2.93Å; D494-R496 PolarHBondContact OD2-NE 3.38Å; D494-R496 IonicContact OD2-NH2 3.34Å; D494-R496 PolarHBondContact OD2-NH2 3.16Å; R496-K541 VanDerWaalsContact O-CE 3.29Å; R496-K541 WeakPolarHBondContact O-CE 3.17Å; R496-K541 PolarHBondContact O-NZ 2.77Å; R496-F544 HydrophobicContact CG-CB 4.09Å; R496-Y545 HydrophobicContact CG-CD2 4.38Å; R496-Y545 HydrophobicContact CG-CE2 3.97Å; R496-G574 PolarHBondContact NH1-O 3.11Å |
| 497 | N | 89.1 | Confident | 92 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | trans | -88.8 | 114.9 | -179.1 | -174.6 | -33.3 | 0 | 0 | 0 | 110.8 | D494 T499 Q500 L501 | D494-N497 HydrophobicContact CB-CB 4.22Å; D494-N497 WeakPolarHBondContact O-CB 3.38Å; D494-N497 PolarHBondContact O-N 2.64Å; N497-T499 VanDerWaalsContact C-N 3.3Å; N497-T499 PolarHBondContact O-N 2.94Å; N497-T499 WeakPolarHBondContact OD1-CB 3.23Å; N497-T499 PolarHBondContact OD1-N 3.48Å; N497-Q500 HydrophobicContact CB-CB 4.33Å; N497-Q500 HydrophobicContact CB-CG 4.32Å; N497-Q500 PolarHBondContact O-N 3.4Å; N497-Q500 PolarHBondContact OD1-N 2.66Å; N497-L501 VanDerWaalsContact O-CB 3.31Å; N497-L501 WeakPolarHBondContact O-CB 3.35Å; N497-L501 PolarHBondContact O-N 2.89Å | ||
| 498 | D | 90.9 | Very high | 92.1 | Very high | 102 Ų | 102 | 48.1 Ų | 48.1 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.9 | -38.3 | -178.6 | -72.9 | -48.6 | 0 | 0 | 0 | 113.3 | L501 M502 K541 | D498-L501 PolarHBondContact O-N 3.26Å; D498-M502 VanDerWaalsContact O-CB 3.28Å; D498-M502 WeakPolarHBondContact O-CB 3.26Å; D498-M502 WeakPolarHBondContact O-CG 3.36Å; D498-M502 PolarHBondContact O-N 2.99Å; D498-K541 IonicContact OD1-NZ 3.08Å; D498-K541 PolarHBondContact OD1-NZ 3.18Å; D498-K541 IonicContact OD2-NZ 3.21Å |
| 499 | T | 93.6 | Very high | 92.3 | Very high | 111 Ų | 111 | 54.9 Ų | 54.9 | 68% | 0.681 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.4 | -45.1 | -177.6 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | N497 R503 | N497-T499 VanDerWaalsContact C-N 3.3Å; N497-T499 PolarHBondContact O-N 2.94Å; N497-T499 WeakPolarHBondContact OD1-CB 3.23Å; N497-T499 PolarHBondContact OD1-N 3.48Å; T499-R503 WeakPolarHBondContact O-CB 3.39Å; T499-R503 PolarHBondContact O-N 3.14Å; T499-R503 VanDerWaalsContact O-N 3.09Å |
| 500 | Q | 92.3 | Very high | 92.4 | Very high | 75 Ų | 75 | 57 Ų | 57 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 178.4 | -65 | -172.5 | 27.8 | 0 | 0 | 111.4 | P493 N497 R503 F504 | P493-Q500 HydrophobicContact CB-CB 3.87Å; N497-Q500 HydrophobicContact CB-CB 4.33Å; N497-Q500 HydrophobicContact CB-CG 4.32Å; N497-Q500 PolarHBondContact O-N 3.4Å; N497-Q500 PolarHBondContact OD1-N 2.66Å; Q500-R503 PolarHBondContact O-N 2.89Å; Q500-F504 WeakPolarHBondContact O-CB 3.16Å; Q500-F504 PolarHBondContact O-N 3.36Å |
| 501 | L | 92.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 176.4 | 174.1 | 61 | 0 | 0 | 0 | 111.7 | F495 N497 D498 R503 F504 L505 Y527 | F495-L501 HydrophobicContact CD1-CD1 3.97Å; F495-L501 HydrophobicContact CE1-CD1 4.46Å; N497-L501 VanDerWaalsContact O-CB 3.31Å; N497-L501 WeakPolarHBondContact O-CB 3.35Å; N497-L501 PolarHBondContact O-N 2.89Å; D498-L501 PolarHBondContact O-N 3.26Å; L501-R503 VanDerWaalsContact C-N 3.29Å; L501-R503 PolarHBondContact O-N 3.28Å; L501-F504 PolarHBondContact O-N 3.31Å; L501-L505 HydrophobicContact CD1-CD1 3.96Å; L501-L505 HydrophobicContact CD1-CG 4.03Å; L501-L505 HydrophobicContact CG-CD1 4.07Å; L501-L505 HydrophobicContact CG-CG 4.48Å; L501-L505 WeakPolarHBondContact O-CG 3.39Å; L501-L505 PolarHBondContact O-N 3.33Å; L501-Y527 HydrophobicContact CD1-CE1 3.99Å; L501-Y527 HydrophobicContact CD1-CE2 3.86Å; L501-Y527 VanDerWaalsContact CD2-OH 3.27Å; L501-Y527 WeakPolarHBondContact CD2-OH 3.48Å |
| 502 | M | 95 | Very high | 92.8 | Very high | 128 Ų | 128 | 49.3 Ų | 49.3 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.3 | -37.7 | 179.3 | -71.4 | -66.1 | -78.8 | 0 | 0 | 111.6 | D498 L505 E506 | D498-M502 VanDerWaalsContact O-CB 3.28Å; D498-M502 WeakPolarHBondContact O-CB 3.26Å; D498-M502 WeakPolarHBondContact O-CG 3.36Å; D498-M502 PolarHBondContact O-N 2.99Å; M502-L505 PolarHBondContact O-N 2.99Å; M502-E506 WeakPolarHBondContact O-CB 3.38Å; M502-E506 PolarHBondContact O-N 3.21Å |
| 503 | R | 95.3 | Very high | 93 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 174.8 | -173.8 | 64.4 | 178 | 167.4 | 0.3 | 112.3 | T499 Q500 L501 E506 F507 N610 F611 E613 F614 | T499-R503 WeakPolarHBondContact O-CB 3.39Å; T499-R503 PolarHBondContact O-N 3.14Å; T499-R503 VanDerWaalsContact O-N 3.09Å; Q500-R503 PolarHBondContact O-N 2.89Å; L501-R503 VanDerWaalsContact C-N 3.29Å; L501-R503 PolarHBondContact O-N 3.28Å; R503-E506 IonicContact CZ-OE2 3.52Å; R503-E506 IonicContact NH1-OE1 3.92Å; R503-E506 IonicContact NH1-OE2 3.04Å; R503-E506 PolarHBondContact NH1-OE2 3.19Å; R503-E506 WeakPolarHBondContact O-CB 3.28Å; R503-E506 PolarHBondContact O-N 3.13Å; R503-F507 PolarHBondContact O-N 3.22Å; R503-F507 VanDerWaalsContact O-N 3.17Å; R503-N610 PolarHBondContact NH2-O 3.35Å; R503-F611 HydrophobicContact CG-CD1 4.39Å; R503-F611 HydrophobicContact CG-CE1 4.34Å; R503-F611 VanDerWaalsContact CZ-CE1 3.4Å; R503-F611 WeakPolarHBondContact O-CE1 3.27Å; R503-E613 WeakPolarHBondContact CG-OE1 3.44Å; R503-E613 IonicContact CZ-OE1 2.59Å; R503-E613 IonicContact NE-OE1 2.96Å; R503-E613 PolarHBondContact NE-OE1 3.48Å; R503-E613 IonicContact NH2-OE1 3.61Å; R503-F614 HydrophobicContact CB-CE2 4.38Å; R503-F614 HydrophobicContact CB-CZ 4.07Å; R503-F614 HydrophobicContact CG-CE2 3.89Å; R503-F614 HydrophobicContact CG-CZ 3.91Å |
| 504 | F | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 174.7 | 172.3 | -106.6 | 0 | 0 | 0 | 112.3 | I489 P493 F495 Q500 L501 E506 F507 V508 L525 F582 F584 F614 | I489-F504 HydrophobicContact CD1-CE2 3.96Å; I489-F504 HydrophobicContact CG1-CE2 3.91Å; P493-F504 HydrophobicContact CB-CB 4.24Å; P493-F504 HydrophobicContact CG-CB 3.76Å; P493-F504 HydrophobicContact CG-CD1 4.19Å; P493-F504 HydrophobicContact CG-CD2 4.33Å; P493-F504 HydrophobicContact CG-CG 3.82Å; F495-F504 HydrophobicContact CE1-CD1 4.38Å; F495-F504 HydrophobicContact CE1-CE1 4.41Å; Q500-F504 WeakPolarHBondContact O-CB 3.16Å; Q500-F504 PolarHBondContact O-N 3.36Å; L501-F504 PolarHBondContact O-N 3.31Å; F504-E506 VanDerWaalsContact C-N 3.26Å; F504-E506 PolarHBondContact O-N 3.02Å; F504-F507 HydrophobicContact CD2-CD1 4.37Å; F504-F507 HydrophobicContact CE2-CD1 4.22Å; F504-F507 WeakPolarHBondContact O-CB 3.35Å; F504-F507 PolarHBondContact O-N 2.84Å; F504-F507 VanDerWaalsContact O-N 3.16Å; F504-V508 HydrophobicContact CE1-CG2 3.98Å; F504-V508 HydrophobicContact CE2-CG2 4.07Å; F504-V508 HydrophobicContact CZ-CG2 3.7Å; F504-V508 PolarHBondContact O-N 2.88Å; F504-V508 VanDerWaalsContact O-N 3.07Å; F504-L525 HydrophobicContact CE1-CD1 4.47Å; F504-L525 HydrophobicContact CE1-CD2 4.12Å; F504-L525 HydrophobicContact CZ-CD1 4.28Å; F504-L525 HydrophobicContact CZ-CD2 4.46Å; F504-F582 HydrophobicContact CE1-CZ 4.12Å; F504-F582 HydrophobicContact CE2-CE2 4.29Å; F504-F582 AromaticContact CE2-CZ 3.78Å; F504-F582 HydrophobicContact CE2-CZ 3.78Å; F504-F582 AromaticContact CZ-CE2 3.77Å; F504-F582 HydrophobicContact CZ-CE2 3.77Å; F504-F582 AromaticContact CZ-CZ 3.48Å; F504-F582 HydrophobicContact CZ-CZ 3.48Å; F504-F582 VanDerWaalsContact CZ-CZ 3.48Å; F504-F584 HydrophobicContact CE2-CE1 4.44Å; F504-F584 HydrophobicContact CZ-CE1 4.25Å; F504-F614 HydrophobicContact CB-CE1 4.44Å; F504-F614 HydrophobicContact CB-CE2 3.98Å; F504-F614 HydrophobicContact CB-CZ 3.87Å; F504-F614 HydrophobicContact CD2-CD2 4.44Å |
| 505 | L | 95.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66 | -30 | 175.5 | -67.2 | 177.4 | 0 | 0 | 0 | 112.1 | L501 M502 V508 R509 Y527 | L501-L505 HydrophobicContact CD1-CD1 3.96Å; L501-L505 HydrophobicContact CD1-CG 4.03Å; L501-L505 HydrophobicContact CG-CD1 4.07Å; L501-L505 HydrophobicContact CG-CG 4.48Å; L501-L505 WeakPolarHBondContact O-CG 3.39Å; L501-L505 PolarHBondContact O-N 3.33Å; M502-L505 PolarHBondContact O-N 2.99Å; L505-V508 PolarHBondContact O-N 3.42Å; L505-R509 VanDerWaalsContact O-CB 3.26Å; L505-R509 WeakPolarHBondContact O-CB 3.21Å; L505-R509 PolarHBondContact O-N 2.89Å; L505-Y527 HydrophobicContact CD1-CE1 4.28Å; L505-Y527 HydrophobicContact CD2-CD1 4.1Å; L505-Y527 HydrophobicContact CD2-CE1 4.02Å |
| 506 | E | 95.8 | Very high | 93.3 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 170.4 | -174.6 | -176.1 | -163.8 | 0 | 0 | 111.6 | M502 R503 F504 R509 I510 F611 | M502-E506 WeakPolarHBondContact O-CB 3.38Å; M502-E506 PolarHBondContact O-N 3.21Å; R503-E506 IonicContact CZ-OE2 3.52Å; R503-E506 IonicContact NH1-OE1 3.92Å; R503-E506 IonicContact NH1-OE2 3.04Å; R503-E506 PolarHBondContact NH1-OE2 3.19Å; R503-E506 WeakPolarHBondContact O-CB 3.28Å; R503-E506 PolarHBondContact O-N 3.13Å; F504-E506 VanDerWaalsContact C-N 3.26Å; F504-E506 PolarHBondContact O-N 3.02Å; E506-R509 PolarHBondContact O-N 3.34Å; E506-I510 HydrophobicContact CG-CD1 4.03Å; E506-I510 VanDerWaalsContact O-CG1 3.31Å; E506-I510 WeakPolarHBondContact O-CG1 3.19Å; E506-I510 PolarHBondContact O-N 2.79Å; E506-F611 HydrophobicContact CB-CE1 4.43Å; E506-F611 HydrophobicContact CB-CZ 4.5Å; E506-F611 HydrophobicContact CG-CE1 4.46Å; E506-F611 HydrophobicContact CG-CZ 4.13Å |
| 507 | F | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 174 | 163.9 | -104.1 | 0 | 0 | 0 | 111.9 | V487 I489 R503 F504 R509 I510 L511 F584 I607 F611 P616 | V487-F507 HydrophobicContact CG1-CE1 3.94Å; V487-F507 HydrophobicContact CG1-CZ 3.91Å; I489-F507 HydrophobicContact CD1-CE1 3.87Å; I489-F507 HydrophobicContact CD1-CZ 4.49Å; R503-F507 PolarHBondContact O-N 3.22Å; R503-F507 VanDerWaalsContact O-N 3.17Å; F504-F507 HydrophobicContact CD2-CD1 4.37Å; F504-F507 HydrophobicContact CE2-CD1 4.22Å; F504-F507 WeakPolarHBondContact O-CB 3.35Å; F504-F507 PolarHBondContact O-N 2.84Å; F504-F507 VanDerWaalsContact O-N 3.16Å; F507-R509 VanDerWaalsContact C-N 3.35Å; F507-R509 PolarHBondContact O-N 3.25Å; F507-I510 PolarHBondContact O-N 2.84Å; F507-L511 HydrophobicContact CD1-CD1 4.33Å; F507-L511 HydrophobicContact CD2-CD1 4.45Å; F507-L511 HydrophobicContact CE1-CD1 3.63Å; F507-L511 HydrophobicContact CE2-CD1 3.79Å; F507-L511 HydrophobicContact CE2-CG 4.14Å; F507-L511 HydrophobicContact CZ-CD1 3.34Å; F507-L511 HydrophobicContact CZ-CG 4.19Å; F507-L511 PolarHBondContact O-N 3.27Å; F507-F584 HydrophobicContact CE1-CE1 4.32Å; F507-F584 HydrophobicContact CE1-CZ 4.12Å; F507-I607 HydrophobicContact CD2-CG2 3.89Å; F507-I607 HydrophobicContact CE2-CG2 3.86Å; F507-F611 HydrophobicContact CB-CB 4.4Å; F507-F611 HydrophobicContact CB-CD1 3.68Å; F507-F611 HydrophobicContact CB-CD2 3.99Å; F507-F611 HydrophobicContact CB-CE1 3.79Å; F507-F611 HydrophobicContact CB-CE2 4.14Å; F507-F611 HydrophobicContact CB-CG 3.76Å; F507-F611 HydrophobicContact CB-CZ 4.04Å; F507-F611 HydrophobicContact CD2-CB 3.89Å; F507-F611 AromaticContact CD2-CD2 3.6Å; F507-F611 HydrophobicContact CD2-CD2 3.6Å; F507-F611 HydrophobicContact CD2-CE2 4.26Å; F507-F611 AromaticContact CD2-CG 3.77Å; F507-F611 HydrophobicContact CD2-CG 3.77Å; F507-F611 HydrophobicContact CG-CB 4.38Å; F507-F611 HydrophobicContact CG-CD2 4.27Å; F507-F611 HydrophobicContact CG-CG 4.14Å; F507-P616 HydrophobicContact CE1-CB 4.1Å; F507-P616 HydrophobicContact CE2-CB 3.87Å; F507-P616 HydrophobicContact CE2-CG 3.94Å; F507-P616 HydrophobicContact CZ-CB 3.47Å; F507-P616 VanDerWaalsContact CZ-CB 3.47Å; F507-P616 HydrophobicContact CZ-CG 4.07Å |
| 508 | V | 95.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | 178.2 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | F504 L505 I510 L511 E512 T523 L525 F584 | F504-V508 HydrophobicContact CE1-CG2 3.98Å; F504-V508 HydrophobicContact CE2-CG2 4.07Å; F504-V508 HydrophobicContact CZ-CG2 3.7Å; F504-V508 PolarHBondContact O-N 2.88Å; F504-V508 VanDerWaalsContact O-N 3.07Å; L505-V508 PolarHBondContact O-N 3.42Å; V508-I510 VanDerWaalsContact C-N 3.31Å; V508-I510 PolarHBondContact O-N 2.62Å; V508-L511 WeakPolarHBondContact O-CB 3.28Å; V508-L511 PolarHBondContact O-N 3.49Å; V508-E512 HydrophobicContact CG1-CG 4.37Å; V508-E512 VanDerWaalsContact O-CG 3.29Å; V508-E512 WeakPolarHBondContact O-CG 3.5Å; V508-E512 PolarHBondContact O-N 2.79Å; V508-T523 HydrophobicContact CG1-CG2 4.37Å; V508-L525 HydrophobicContact CG2-CD2 4.35Å; V508-F584 HydrophobicContact CG2-CE1 4.41Å; V508-F584 HydrophobicContact CG2-CZ 4.01Å |
| 509 | R | 95.6 | Very high | 93.2 | Very high | 148 Ų | 148 | 50.3 Ų | 50.3 | 56% | 0.558 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.1 | -39.5 | 178.1 | -172.2 | -172.2 | 70.7 | 86.3 | 1 | 112.4 | L505 E506 F507 E512 S513 | L505-R509 VanDerWaalsContact O-CB 3.26Å; L505-R509 WeakPolarHBondContact O-CB 3.21Å; L505-R509 PolarHBondContact O-N 2.89Å; E506-R509 PolarHBondContact O-N 3.34Å; F507-R509 VanDerWaalsContact C-N 3.35Å; F507-R509 PolarHBondContact O-N 3.25Å; R509-E512 PolarHBondContact O-N 3.03Å; R509-S513 VanDerWaalsContact O-CB 3.27Å; R509-S513 WeakPolarHBondContact O-CB 3.2Å; R509-S513 PolarHBondContact O-N 2.93Å; R509-S513 PolarHBondContact O-OG 3.27Å |
| 510 | I | 95.3 | Very high | 93 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 177.7 | -74 | 167.8 | 0 | 0 | 0 | 110.1 | E506 F507 V508 E512 S513 T514 I607 F611 | E506-I510 HydrophobicContact CG-CD1 4.03Å; E506-I510 VanDerWaalsContact O-CG1 3.31Å; E506-I510 WeakPolarHBondContact O-CG1 3.19Å; E506-I510 PolarHBondContact O-N 2.79Å; F507-I510 PolarHBondContact O-N 2.84Å; V508-I510 VanDerWaalsContact C-N 3.31Å; V508-I510 PolarHBondContact O-N 2.62Å; I510-E512 VanDerWaalsContact C-N 3.32Å; I510-E512 PolarHBondContact O-N 3.42Å; I510-S513 PolarHBondContact O-N 3.49Å; I510-S513 PolarHBondContact O-OG 2.8Å; I510-T514 WeakPolarHBondContact O-CG2 3.2Å; I510-T514 PolarHBondContact O-N 3.18Å; I510-I607 HydrophobicContact CG2-CD1 4.02Å; I510-I607 HydrophobicContact CG2-CG1 4.07Å; I510-I607 HydrophobicContact CG2-CG2 4.03Å; I510-F611 HydrophobicContact CD1-CE2 3.7Å; I510-F611 HydrophobicContact CD1-CZ 3.65Å |
| 511 | L | 93.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 175.8 | -75.2 | 175.8 | 0 | 0 | 0 | 112 | V487 F507 V508 S513 T514 S517 F584 I607 V618 | V487-L511 HydrophobicContact CG1-CD1 4.26Å; V487-L511 HydrophobicContact CG2-CD1 4.28Å; F507-L511 HydrophobicContact CD1-CD1 4.33Å; F507-L511 HydrophobicContact CD2-CD1 4.45Å; F507-L511 HydrophobicContact CE1-CD1 3.63Å; F507-L511 HydrophobicContact CE2-CD1 3.79Å; F507-L511 HydrophobicContact CE2-CG 4.14Å; F507-L511 HydrophobicContact CZ-CD1 3.34Å; F507-L511 HydrophobicContact CZ-CG 4.19Å; F507-L511 PolarHBondContact O-N 3.27Å; V508-L511 WeakPolarHBondContact O-CB 3.28Å; V508-L511 PolarHBondContact O-N 3.49Å; L511-S513 VanDerWaalsContact C-N 3.31Å; L511-S513 PolarHBondContact O-N 3.14Å; L511-T514 WeakPolarHBondContact O-CG2 3.36Å; L511-T514 PolarHBondContact O-N 3.14Å; L511-T514 PolarHBondContact O-OG1 3.35Å; L511-S517 WeakPolarHBondContact O-CB 3.48Å; L511-F584 HydrophobicContact CD1-CZ 4.31Å; L511-I607 HydrophobicContact CD2-CB 4.48Å; L511-I607 HydrophobicContact CD2-CD1 3.99Å; L511-I607 HydrophobicContact CD2-CG2 4.01Å; L511-I607 HydrophobicContact CG-CG2 4.27Å; L511-V618 HydrophobicContact CD1-CG2 4.5Å; L511-V618 HydrophobicContact CD2-CG2 4.24Å |
| 512 | E | 93.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -27.1 | 179.8 | -70.2 | 173.8 | 161.8 | 0 | 0 | 114 | V508 R509 I510 T514 S517 P520 T523 | V508-E512 HydrophobicContact CG1-CG 4.37Å; V508-E512 VanDerWaalsContact O-CG 3.29Å; V508-E512 WeakPolarHBondContact O-CG 3.5Å; V508-E512 PolarHBondContact O-N 2.79Å; R509-E512 PolarHBondContact O-N 3.03Å; I510-E512 VanDerWaalsContact C-N 3.32Å; I510-E512 PolarHBondContact O-N 3.42Å; E512-T514 VanDerWaalsContact C-N 3.33Å; E512-S517 WeakPolarHBondContact CA-OG 3.32Å; E512-S517 WeakPolarHBondContact O-CB 3.37Å; E512-S517 PolarHBondContact O-OG 3.05Å; E512-P520 HydrophobicContact CB-CG 4.13Å; E512-P520 WeakPolarHBondContact OE2-CB 3.49Å; E512-P520 WeakPolarHBondContact OE2-CG 3.27Å; E512-T523 WeakPolarHBondContact CG-OG1 3.43Å; E512-T523 WeakPolarHBondContact OE1-CB 3.25Å; E512-T523 WeakPolarHBondContact OE1-CG2 3.12Å; E512-T523 PolarHBondContact OE1-OG1 2.9Å |
| 513 | S | 94 | Very high | 92 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 56% | 0.559 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5.8 | -179.7 | 71 | 0 | 0 | 0 | 0 | 113.9 | R509 I510 L511 | R509-S513 VanDerWaalsContact O-CB 3.27Å; R509-S513 WeakPolarHBondContact O-CB 3.2Å; R509-S513 PolarHBondContact O-N 2.93Å; R509-S513 PolarHBondContact O-OG 3.27Å; I510-S513 PolarHBondContact O-N 3.49Å; I510-S513 PolarHBondContact O-OG 2.8Å; L511-S513 VanDerWaalsContact C-N 3.31Å; L511-S513 PolarHBondContact O-N 3.14Å |
| 514 | T | 92.5 | Very high | 91.5 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -64.3 | 147.6 | 179.2 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | I510 L511 E512 Y516 S517 F588 L603 I607 | I510-T514 WeakPolarHBondContact O-CG2 3.2Å; I510-T514 PolarHBondContact O-N 3.18Å; L511-T514 WeakPolarHBondContact O-CG2 3.36Å; L511-T514 PolarHBondContact O-N 3.14Å; L511-T514 PolarHBondContact O-OG1 3.35Å; E512-T514 VanDerWaalsContact C-N 3.33Å; T514-Y516 PolarHBondContact O-N 3.32Å; T514-S517 PolarHBondContact O-N 3.49Å; T514-S517 WeakPolarHBondContact OG1-CB 3.46Å; T514-S517 PolarHBondContact OG1-N 2.96Å; T514-F588 WeakPolarHBondContact OG1-CE1 3.4Å; T514-L603 HydrophobicContact CG2-CD2 3.78Å; T514-L603 HydrophobicContact CG2-CG 4.48Å; T514-I607 HydrophobicContact CG2-CD1 3.84Å |
| 515 | P | 90.6 | Very high | 91.3 | Very high | 105 Ų | 105 | 40.5 Ų | 40.5 | 68% | 0.682 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.4 | -178.2 | 25.6 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 516 | Y | 90.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -11 | 179.6 | -53.2 | -71.6 | 0 | 0 | 0 | 112.7 | T514 F588 H589 I600 L603 | T514-Y516 PolarHBondContact O-N 3.32Å; Y516-F588 CarbonylContact O-C 3.56Å; Y516-F588 VanDerWaalsContact O-CA 3.25Å; Y516-F588 WeakPolarHBondContact O-CA 3.04Å; Y516-H589 PolarHBondContact O-N 2.81Å; Y516-H589 PolarHBondContact O-ND1 3.42Å; Y516-I600 HydrophobicContact CD1-CD1 3.74Å; Y516-I600 HydrophobicContact CD1-CG1 3.85Å; Y516-I600 HydrophobicContact CD2-CD1 4.26Å; Y516-I600 HydrophobicContact CD2-CG1 3.53Å; Y516-I600 HydrophobicContact CE1-CD1 4.34Å; Y516-I600 HydrophobicContact CE1-CG1 4.2Å; Y516-I600 HydrophobicContact CE2-CG1 3.9Å; Y516-I600 HydrophobicContact CG-CD1 3.69Å; Y516-I600 HydrophobicContact CG-CG1 3.49Å; Y516-I600 VanDerWaalsContact CG-CG1 3.49Å; Y516-L603 HydrophobicContact CD2-CD2 4.11Å; Y516-L603 HydrophobicContact CE2-CD2 4.33Å |
| 517 | S | 90.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -73.1 | 148.8 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | L511 E512 T514 G519 N587 H589 | L511-S517 WeakPolarHBondContact O-CB 3.48Å; E512-S517 WeakPolarHBondContact CA-OG 3.32Å; E512-S517 WeakPolarHBondContact O-CB 3.37Å; E512-S517 PolarHBondContact O-OG 3.05Å; T514-S517 PolarHBondContact O-N 3.49Å; T514-S517 WeakPolarHBondContact OG1-CB 3.46Å; T514-S517 PolarHBondContact OG1-N 2.96Å; S517-G519 PolarHBondContact O-N 3.45Å; S517-G519 PolarHBondContact OG-N 2.97Å; S517-N587 CarbonylContact C-O 3.49Å; S517-H589 PolarHBondContact O-CE1 3.05Å |
| 518 | G | 85.2 | Confident | 90.4 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | trans | -72.3 | -1.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T522 N587 | G518-T522 VanDerWaalsContact C-OG1 3.26Å; G518-T522 WeakPolarHBondContact CA-OG1 3.43Å; G518-T522 WeakPolarHBondContact O-CG2 3.31Å; G518-N587 PolarHBondContact N-O 2.74Å | ||
| 519 | G | 89 | Confident | 89.9 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | trans | 82.7 | 178 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S517 S521 T522 | S517-G519 PolarHBondContact O-N 3.45Å; S517-G519 PolarHBondContact OG-N 2.97Å; G519-S521 PolarHBondContact O-N 3.39Å; G519-S521 VanDerWaalsContact O-N 3.1Å; G519-T522 PolarHBondContact O-N 2.99Å; G519-T522 PolarHBondContact O-OG1 3.28Å | ||
| 520 | P | 88.9 | Confident | 89.7 | Confident | 88 Ų | 88 | 34.1 Ų | 34.1 | 57% | 0.571 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -59.3 | -28.9 | -172.9 | -23.4 | 31.9 | 0 | 0 | 0 | 114.1 | E512 T522 T523 | E512-P520 HydrophobicContact CB-CG 4.13Å; E512-P520 WeakPolarHBondContact OE2-CB 3.49Å; E512-P520 WeakPolarHBondContact OE2-CG 3.27Å; P520-T522 PolarHBondContact O-N 3.42Å; P520-T522 VanDerWaalsContact O-N 3.12Å; P520-T523 PolarHBondContact O-N 3.08Å |
| 521 | S | 84.1 | Confident | 89.4 | Confident | 61 Ų | 61 | 33.3 Ų | 33.3 | 43% | 0.427 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -66.1 | -12.8 | 176.8 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | F128 G519 | F128-S521 VanDerWaalsContact CE1-O 3.28Å; F128-S521 WeakPolarHBondContact CE1-O 3.27Å; G519-S521 PolarHBondContact O-N 3.39Å; G519-S521 VanDerWaalsContact O-N 3.1Å |
| 522 | T | 85.9 | Confident | 89.2 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -102.1 | -5.9 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 113.9 | F128 F137 G518 G519 P520 N587 | F128-T522 HydrophobicContact CE1-CG2 4.07Å; F128-T522 HydrophobicContact CZ-CG2 3.82Å; F137-T522 HydrophobicContact CD2-CG2 4.32Å; G518-T522 VanDerWaalsContact C-OG1 3.26Å; G518-T522 WeakPolarHBondContact CA-OG1 3.43Å; G518-T522 WeakPolarHBondContact O-CG2 3.31Å; G519-T522 PolarHBondContact O-N 2.99Å; G519-T522 PolarHBondContact O-OG1 3.28Å; P520-T522 PolarHBondContact O-N 3.42Å; P520-T522 VanDerWaalsContact O-N 3.12Å; T522-N587 WeakPolarHBondContact CB-ND2 3.48Å; T522-N587 HydrophobicContact CG2-CB 4.12Å |
| 523 | T | 89.1 | Confident | 88.9 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | trans | -88.1 | 118 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | V508 E512 P520 L525 F584 T585 T586 | V508-T523 HydrophobicContact CG1-CG2 4.37Å; E512-T523 WeakPolarHBondContact CG-OG1 3.43Å; E512-T523 WeakPolarHBondContact OE1-CB 3.25Å; E512-T523 WeakPolarHBondContact OE1-CG2 3.12Å; E512-T523 PolarHBondContact OE1-OG1 2.9Å; P520-T523 PolarHBondContact O-N 3.08Å; T523-L525 HydrophobicContact CG2-CB 4.14Å; T523-F584 HydrophobicContact CG2-CD2 3.74Å; T523-F584 HydrophobicContact CG2-CE2 3.96Å; T523-T585 CarbonylContact C-O 3.56Å; T523-T585 VanDerWaalsContact CA-O 3.25Å; T523-T585 WeakPolarHBondContact CA-O 3.37Å; T523-T586 PolarHBondContact OG1-OG1 3.04Å; T523-T586 VanDerWaalsContact OG1-OG1 3.12Å | ||
| 524 | N | 85.8 | Confident | 88.8 | Confident | 26 Ų | 26 | 34 Ų | 34 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -99.1 | 93.7 | 171.1 | -179 | 30.1 | 0 | 0 | 0 | 109.2 | H560 E563 F584 T585 | N524-H560 PolarHBondContact OD1-CE1 3.47Å; N524-E563 PolarHBondContact ND2-OE1 3.07Å; N524-F584 WeakPolarHBondContact O-CB 3.48Å; N524-T585 PolarHBondContact N-O 3.5Å; N524-T585 PolarHBondContact O-N 3.22Å |
| 525 | L | 89.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | -114.1 | 117.5 | 179.2 | 173.4 | 66.5 | 0 | 0 | 0 | 109.5 | F504 V508 T523 Y527 H528 F582 F584 | F504-L525 HydrophobicContact CE1-CD1 4.47Å; F504-L525 HydrophobicContact CE1-CD2 4.12Å; F504-L525 HydrophobicContact CZ-CD1 4.28Å; F504-L525 HydrophobicContact CZ-CD2 4.46Å; V508-L525 HydrophobicContact CG2-CD2 4.35Å; T523-L525 HydrophobicContact CG2-CB 4.14Å; L525-Y527 PolarHBondContact O-N 2.94Å; L525-H528 PolarHBondContact O-N 3.04Å; L525-F582 HydrophobicContact CD1-CE2 3.97Å; L525-F584 HydrophobicContact CB-CB 4.14Å; L525-F584 HydrophobicContact CB-CG 4.46Å; L525-F584 HydrophobicContact CD1-CB 3.67Å; L525-F584 HydrophobicContact CD1-CD1 3.86Å; L525-F584 HydrophobicContact CD1-CG 3.84Å | ||
| 526 | W | 88.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -50.4 | -32.7 | 179.1 | 68.7 | -97.4 | 0 | 0 | 0 | 113.7 | F495 H528 S529 Y530 F544 F548 H560 I564 I579 F582 | F495-W526 HydrophobicContact CD1-CH2 4.47Å; F495-W526 HydrophobicContact CD2-CH2 4.05Å; F495-W526 HydrophobicContact CD2-CZ2 4.4Å; F495-W526 HydrophobicContact CE1-CH2 4.12Å; F495-W526 HydrophobicContact CE1-CZ2 4.14Å; F495-W526 AromaticContact CE2-CH2 3.67Å; F495-W526 HydrophobicContact CE2-CH2 3.67Å; F495-W526 AromaticContact CE2-CZ2 3.57Å; F495-W526 HydrophobicContact CE2-CZ2 3.57Å; F495-W526 HydrophobicContact CG-CH2 4.44Å; F495-W526 AromaticContact CZ-CH2 3.71Å; F495-W526 HydrophobicContact CZ-CH2 3.71Å; F495-W526 AromaticContact CZ-CZ2 3.4Å; F495-W526 HydrophobicContact CZ-CZ2 3.4Å; F495-W526 VanDerWaalsContact CZ-CZ2 3.4Å; W526-H528 VanDerWaalsContact C-N 3.3Å; W526-H528 PolarHBondContact O-N 2.77Å; W526-S529 PolarHBondContact O-N 2.89Å; W526-Y530 HydrophobicContact CZ3-CD1 4.19Å; W526-Y530 HydrophobicContact CZ3-CG 4.4Å; W526-Y530 WeakPolarHBondContact O-CB 3.27Å; W526-Y530 PolarHBondContact O-N 3.34Å; W526-F544 HydrophobicContact CH2-CE1 4.25Å; W526-F544 HydrophobicContact CH2-CZ 4.09Å; W526-F544 HydrophobicContact CZ3-CE1 4.4Å; W526-F544 HydrophobicContact CZ3-CZ 4.01Å; W526-F548 HydrophobicContact CE3-CE2 4.11Å; W526-F548 HydrophobicContact CE3-CZ 4.14Å; W526-F548 HydrophobicContact CH2-CE2 4.1Å; W526-F548 AromaticContact CH2-CZ 3.96Å; W526-F548 HydrophobicContact CH2-CZ 3.96Å; W526-F548 AromaticContact CZ3-CE2 3.52Å; W526-F548 HydrophobicContact CZ3-CE2 3.52Å; W526-F548 AromaticContact CZ3-CZ 3.7Å; W526-F548 HydrophobicContact CZ3-CZ 3.7Å; W526-H560 HydrophobicContact CB-CB 3.92Å; W526-I564 HydrophobicContact CB-CD1 3.99Å; W526-I564 HydrophobicContact CD2-CD1 3.24Å; W526-I564 HydrophobicContact CD2-CG1 4.04Å; W526-I564 HydrophobicContact CE3-CD1 3.68Å; W526-I564 HydrophobicContact CG-CD1 3.38Å; W526-I564 HydrophobicContact CG-CG1 3.83Å; W526-I564 HydrophobicContact CZ2-CD1 4.19Å; W526-I564 HydrophobicContact CZ3-CD1 4.34Å; W526-I579 HydrophobicContact CH2-CD1 3.71Å; W526-I579 HydrophobicContact CZ2-CD1 3.83Å; W526-F582 AromaticContact CD1-CD2 3.9Å; W526-F582 HydrophobicContact CZ2-CD1 4.37Å; W526-F582 AromaticContact NE1-CD1 4Å; W526-F582 AromaticContact NE1-CD2 3.2Å; W526-F582 AromaticContact NE1-CE2 3.71Å; W526-F582 AromaticContact NE1-CG 3.36Å |
| 527 | Y | 91 | Very high | 88.7 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -37.8 | -179.6 | 172.4 | -98.2 | 0 | 0 | 0 | 112 | F495 L501 L505 L525 Y530 A531 F544 | F495-Y527 AromaticContact CD1-CD2 3.37Å; F495-Y527 HydrophobicContact CD1-CD2 3.37Å; F495-Y527 AromaticContact CD1-CE2 3.56Å; F495-Y527 HydrophobicContact CD1-CE2 3.56Å; F495-Y527 HydrophobicContact CD1-CG 4.26Å; F495-Y527 AromaticContact CE1-CD2 3.51Å; F495-Y527 HydrophobicContact CE1-CD2 3.51Å; F495-Y527 HydrophobicContact CE1-CE2 4.12Å; F495-Y527 AromaticContact CE1-CG 3.98Å; F495-Y527 HydrophobicContact CE1-CG 3.98Å; F495-Y527 HydrophobicContact CG-CD2 4.4Å; L501-Y527 HydrophobicContact CD1-CE1 3.99Å; L501-Y527 HydrophobicContact CD1-CE2 3.86Å; L501-Y527 VanDerWaalsContact CD2-OH 3.27Å; L501-Y527 WeakPolarHBondContact CD2-OH 3.48Å; L505-Y527 HydrophobicContact CD1-CE1 4.28Å; L505-Y527 HydrophobicContact CD2-CD1 4.1Å; L505-Y527 HydrophobicContact CD2-CE1 4.02Å; L525-Y527 PolarHBondContact O-N 2.94Å; Y527-Y530 PolarHBondContact O-N 3.01Å; Y527-A531 HydrophobicContact CE1-CB 4.25Å; Y527-A531 HydrophobicContact CE2-CB 4.38Å; Y527-A531 WeakPolarHBondContact O-CB 3.25Å; Y527-A531 PolarHBondContact O-N 3.11Å; Y527-F544 HydrophobicContact CD2-CE2 4.24Å; Y527-F544 HydrophobicContact CD2-CZ 4.03Å; Y527-F544 AromaticContact CE2-CE2 3.89Å; Y527-F544 HydrophobicContact CE2-CE2 3.89Å; Y527-F544 HydrophobicContact CE2-CZ 4.1Å |
| 528 | H | 88.7 | Confident | 88.7 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 37% | 0.366 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 177.6 | -68 | -46.8 | 0 | 0 | 0 | 111.7 | L525 W526 Y530 N532 | L525-H528 PolarHBondContact O-N 3.04Å; W526-H528 VanDerWaalsContact C-N 3.3Å; W526-H528 PolarHBondContact O-N 2.77Å; H528-Y530 VanDerWaalsContact C-N 3.33Å; H528-Y530 PolarHBondContact O-N 3.27Å; H528-N532 WeakPolarHBondContact O-CB 3.43Å; H528-N532 VanDerWaalsContact O-CG 3.28Å; H528-N532 PolarHBondContact O-N 3.5Å; H528-N532 VanDerWaalsContact O-N 3.07Å; H528-N532 PolarHBondContact O-ND2 2.65Å |
| 529 | S | 86.2 | Confident | 89 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.7 | -57 | 0 | 0 | 0 | 0 | 111.5 | W526 Y533 H560 | W526-S529 PolarHBondContact O-N 2.89Å; S529-Y533 WeakPolarHBondContact O-CB 3.06Å; S529-Y533 PolarHBondContact O-N 3.49Å; S529-H560 PolarHBondContact OG-NE2 3.43Å |
| 530 | Y | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.8 | -41.4 | -178.7 | -170.4 | -114.9 | 0 | 0 | 0 | 113.1 | W526 Y527 H528 N532 Y533 M534 F544 F548 F551 | W526-Y530 HydrophobicContact CZ3-CD1 4.19Å; W526-Y530 HydrophobicContact CZ3-CG 4.4Å; W526-Y530 WeakPolarHBondContact O-CB 3.27Å; W526-Y530 PolarHBondContact O-N 3.34Å; Y527-Y530 PolarHBondContact O-N 3.01Å; H528-Y530 VanDerWaalsContact C-N 3.33Å; H528-Y530 PolarHBondContact O-N 3.27Å; Y530-N532 VanDerWaalsContact C-N 3.33Å; Y530-N532 PolarHBondContact O-N 3.22Å; Y530-Y533 HydrophobicContact CD2-CD1 4.18Å; Y530-Y533 AromaticContact CE2-CD1 3.97Å; Y530-Y533 HydrophobicContact CE2-CD1 3.97Å; Y530-Y533 HydrophobicContact CE2-CE1 4.43Å; Y530-Y533 WeakPolarHBondContact O-CB 3.34Å; Y530-Y533 PolarHBondContact O-N 3.5Å; Y530-M534 HydrophobicContact CD1-CG 4.09Å; Y530-M534 HydrophobicContact CE1-CG 3.8Å; Y530-M534 HydrophobicContact CE1-SD 3.7Å; Y530-M534 HydrophobicContact CE2-CG 4.36Å; Y530-M534 WeakPolarHBondContact O-CG 3.24Å; Y530-M534 PolarHBondContact O-N 3.49Å; Y530-F544 HydrophobicContact CD1-CD2 4.12Å; Y530-F544 HydrophobicContact CD1-CE1 4.05Å; Y530-F544 AromaticContact CD1-CE2 3.44Å; Y530-F544 HydrophobicContact CD1-CE2 3.44Å; Y530-F544 VanDerWaalsContact CD1-CE2 3.44Å; Y530-F544 AromaticContact CD1-CZ 3.41Å; Y530-F544 HydrophobicContact CD1-CZ 3.41Å; Y530-F544 VanDerWaalsContact CD1-CZ 3.41Å; Y530-F544 HydrophobicContact CE1-CD1 4.05Å; Y530-F544 AromaticContact CE1-CD2 3.75Å; Y530-F544 HydrophobicContact CE1-CD2 3.75Å; Y530-F544 AromaticContact CE1-CE1 3.85Å; Y530-F544 HydrophobicContact CE1-CE1 3.85Å; Y530-F544 AromaticContact CE1-CE2 3.55Å; Y530-F544 HydrophobicContact CE1-CE2 3.55Å; Y530-F544 HydrophobicContact CE1-CG 4Å; Y530-F544 AromaticContact CE1-CZ 3.61Å; Y530-F544 HydrophobicContact CE1-CZ 3.61Å; Y530-F544 WeakPolarHBondContact CE1-O 3.39Å; Y530-F544 VanDerWaalsContact CZ-O 3.24Å; Y530-F544 PolarHBondContact OH-O 3.28Å; Y530-F548 HydrophobicContact CD1-CD2 4.22Å; Y530-F548 HydrophobicContact CD1-CE2 4.06Å; Y530-F548 HydrophobicContact CD2-CD2 4.24Å; Y530-F548 HydrophobicContact CD2-CE2 4.41Å; Y530-F548 AromaticContact CE1-CD2 3.78Å; Y530-F548 HydrophobicContact CE1-CD2 3.78Å; Y530-F548 HydrophobicContact CE1-CE2 4.05Å; Y530-F548 AromaticContact CE2-CD2 3.84Å; Y530-F548 HydrophobicContact CE2-CD2 3.84Å; Y530-F548 HydrophobicContact CE2-CE2 4.43Å; Y530-F548 HydrophobicContact CG-CD2 4.43Å; Y530-F548 HydrophobicContact CG-CE2 4.23Å; Y530-F548 AromaticContact CZ-CD2 3.59Å; Y530-F548 PolarHBondContact OH-N 3.07Å; Y530-F551 HydrophobicContact CD2-CB 3.85Å; Y530-F551 AromaticContact CD2-CD1 3.69Å; Y530-F551 HydrophobicContact CD2-CD1 3.69Å; Y530-F551 AromaticContact CD2-CD2 3.59Å; Y530-F551 HydrophobicContact CD2-CD2 3.59Å; Y530-F551 HydrophobicContact CD2-CE1 4.03Å; Y530-F551 AromaticContact CD2-CE2 3.93Å; Y530-F551 HydrophobicContact CD2-CE2 3.93Å; Y530-F551 AromaticContact CD2-CG 3.45Å; Y530-F551 HydrophobicContact CD2-CG 3.45Å; Y530-F551 VanDerWaalsContact CD2-CG 3.45Å; Y530-F551 HydrophobicContact CD2-CZ 4.14Å; Y530-F551 HydrophobicContact CE2-CB 3.66Å; Y530-F551 HydrophobicContact CE2-CD1 4.29Å; Y530-F551 HydrophobicContact CE2-CD2 4.18Å; Y530-F551 AromaticContact CE2-CG 3.83Å; Y530-F551 HydrophobicContact CE2-CG 3.83Å |
| 531 | A | 89.9 | Confident | 88.7 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y527 Y533 M534 Q535 | Y527-A531 HydrophobicContact CE1-CB 4.25Å; Y527-A531 HydrophobicContact CE2-CB 4.38Å; Y527-A531 WeakPolarHBondContact O-CB 3.25Å; Y527-A531 PolarHBondContact O-N 3.11Å; A531-Y533 PolarHBondContact O-N 3.39Å; A531-M534 PolarHBondContact O-N 2.83Å; A531-Q535 WeakPolarHBondContact O-CB 3.49Å; A531-Q535 PolarHBondContact O-N 3.4Å |
| 532 | N | 88.3 | Confident | 88.7 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.3 | -74.8 | -15.8 | 0 | 0 | 0 | 111.6 | H528 Y530 M534 Q535 L536 | H528-N532 WeakPolarHBondContact O-CB 3.43Å; H528-N532 VanDerWaalsContact O-CG 3.28Å; H528-N532 PolarHBondContact O-N 3.5Å; H528-N532 VanDerWaalsContact O-N 3.07Å; H528-N532 PolarHBondContact O-ND2 2.65Å; Y530-N532 VanDerWaalsContact C-N 3.33Å; Y530-N532 PolarHBondContact O-N 3.22Å; N532-M534 VanDerWaalsContact C-N 3.35Å; N532-M534 PolarHBondContact O-N 2.92Å; N532-Q535 PolarHBondContact O-N 3.48Å; N532-L536 WeakPolarHBondContact O-CB 3.31Å; N532-L536 VanDerWaalsContact O-CG 3.24Å; N532-L536 WeakPolarHBondContact O-CG 3.38Å; N532-L536 PolarHBondContact O-N 2.89Å |
| 533 | Y | 88.8 | Confident | 88.6 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 175 | 172.7 | -100.6 | 0 | 0 | 0 | 112.2 | S529 Y530 A531 N537 F539 H547 F551 F557 | S529-Y533 WeakPolarHBondContact O-CB 3.06Å; S529-Y533 PolarHBondContact O-N 3.49Å; Y530-Y533 HydrophobicContact CD2-CD1 4.18Å; Y530-Y533 AromaticContact CE2-CD1 3.97Å; Y530-Y533 HydrophobicContact CE2-CD1 3.97Å; Y530-Y533 HydrophobicContact CE2-CE1 4.43Å; Y530-Y533 WeakPolarHBondContact O-CB 3.34Å; Y530-Y533 PolarHBondContact O-N 3.5Å; A531-Y533 PolarHBondContact O-N 3.39Å; Y533-N537 VanDerWaalsContact CD2-ND2 3.31Å; Y533-N537 WeakPolarHBondContact CD2-ND2 3.41Å; Y533-N537 WeakPolarHBondContact CE2-ND2 3.45Å; Y533-N537 PolarHBondContact O-N 3.49Å; Y533-N537 PolarHBondContact O-ND2 3.2Å; Y533-F539 HydrophobicContact CE1-CE2 4.12Å; Y533-H547 HydrophobicContact CE1-CB 4.37Å; Y533-F551 HydrophobicContact CD1-CB 4.32Å; Y533-F551 AromaticContact CD1-CD2 3.79Å; Y533-F551 HydrophobicContact CD1-CD2 3.79Å; Y533-F551 HydrophobicContact CD1-CG 4.48Å; Y533-F551 HydrophobicContact CD2-CD2 4.16Å; Y533-F551 HydrophobicContact CE1-CB 4.23Å; Y533-F551 HydrophobicContact CE1-CD2 4.39Å; Y533-F551 AromaticContact CG-CD2 3.66Å; Y533-F551 HydrophobicContact CG-CD2 3.66Å; Y533-F551 HydrophobicContact CG-CE2 4.18Å; Y533-F557 HydrophobicContact CD2-CE2 4.02Å |
| 534 | M | 90.8 | Very high | 88.5 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 7% | 0.069 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 177.5 | -63.3 | -105.2 | 69.9 | 0 | 0 | 111.5 | Y530 A531 N532 N537 K538 F539 F544 H547 | Y530-M534 HydrophobicContact CD1-CG 4.09Å; Y530-M534 HydrophobicContact CE1-CG 3.8Å; Y530-M534 HydrophobicContact CE1-SD 3.7Å; Y530-M534 HydrophobicContact CE2-CG 4.36Å; Y530-M534 WeakPolarHBondContact O-CG 3.24Å; Y530-M534 PolarHBondContact O-N 3.49Å; A531-M534 PolarHBondContact O-N 2.83Å; N532-M534 VanDerWaalsContact C-N 3.35Å; N532-M534 PolarHBondContact O-N 2.92Å; M534-N537 PolarHBondContact O-N 2.86Å; M534-K538 PolarHBondContact O-N 3.39Å; M534-F539 HydrophobicContact CE-CB 3.27Å; M534-F539 HydrophobicContact CE-CD2 3.24Å; M534-F539 HydrophobicContact CE-CE2 4.27Å; M534-F539 HydrophobicContact CE-CG 3.58Å; M534-F539 PolarHBondContact O-N 2.92Å; M534-F539 VanDerWaalsContact O-N 3.15Å; M534-F544 HydrophobicContact SD-CD2 4.31Å; M534-H547 HydrophobicContact CE-CB 3.79Å |
| 535 | Q | 90.6 | Very high | 88.4 | Confident | 149 Ų | 149 | 59.8 Ų | 59.8 | 70% | 0.696 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | -179.5 | -167.5 | 178.7 | 15.8 | 0 | 0 | 112.4 | A531 N532 N537 K538 | A531-Q535 WeakPolarHBondContact O-CB 3.49Å; A531-Q535 PolarHBondContact O-N 3.4Å; N532-Q535 PolarHBondContact O-N 3.48Å; Q535-N537 VanDerWaalsContact C-N 3.31Å; Q535-N537 PolarHBondContact O-N 3.26Å; Q535-K538 PolarHBondContact O-N 3.25Å |
| 536 | L | 90.2 | Very high | 88.1 | Confident | 140 Ų | 140 | 64 Ų | 64 | 73% | 0.733 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63 | -37.5 | 178.5 | -76 | 170.2 | 0 | 0 | 0 | 112.4 | N532 | N532-L536 WeakPolarHBondContact O-CB 3.31Å; N532-L536 VanDerWaalsContact O-CG 3.24Å; N532-L536 WeakPolarHBondContact O-CG 3.38Å; N532-L536 PolarHBondContact O-N 2.89Å |
| 537 | N | 90.9 | Very high | 88 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -89.2 | -2.8 | 178.1 | -65.2 | -69.9 | 0 | 0 | 0 | 113.6 | Y533 M534 Q535 F539 | Y533-N537 VanDerWaalsContact CD2-ND2 3.31Å; Y533-N537 WeakPolarHBondContact CD2-ND2 3.41Å; Y533-N537 WeakPolarHBondContact CE2-ND2 3.45Å; Y533-N537 PolarHBondContact O-N 3.49Å; Y533-N537 PolarHBondContact O-ND2 3.2Å; M534-N537 PolarHBondContact O-N 2.86Å; Q535-N537 VanDerWaalsContact C-N 3.31Å; Q535-N537 PolarHBondContact O-N 3.26Å; N537-F539 VanDerWaalsContact C-N 3.27Å; N537-F539 HydrophobicContact CB-CD2 3.38Å; N537-F539 HydrophobicContact CB-CE1 4.37Å; N537-F539 HydrophobicContact CB-CE2 3.16Å; N537-F539 HydrophobicContact CB-CG 4.14Å; N537-F539 HydrophobicContact CB-CZ 3.71Å; N537-F539 PolarHBondContact O-N 3.25Å |
| 538 | K | 91.2 | Very high | 87.6 | Confident | 188 Ų | 188 | 64 Ų | 64 | 82% | 0.817 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 36.2 | -179.7 | -54.5 | 178.8 | 178.9 | 178.6 | 0 | 113.8 | M534 Q535 | M534-K538 PolarHBondContact O-N 3.39Å; Q535-K538 PolarHBondContact O-N 3.25Å |
| 539 | F | 90.4 | Very high | 87.2 | Confident | 66 Ų | 66 | 62 Ų | 62 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | trans | -76.1 | 144.9 | 175.1 | -65.4 | -53.8 | 0 | 0 | 0 | 111 | Y533 M534 N537 H547 | Y533-F539 HydrophobicContact CE1-CE2 4.12Å; M534-F539 HydrophobicContact CE-CB 3.27Å; M534-F539 HydrophobicContact CE-CD2 3.24Å; M534-F539 HydrophobicContact CE-CE2 4.27Å; M534-F539 HydrophobicContact CE-CG 3.58Å; M534-F539 PolarHBondContact O-N 2.92Å; M534-F539 VanDerWaalsContact O-N 3.15Å; N537-F539 VanDerWaalsContact C-N 3.27Å; N537-F539 HydrophobicContact CB-CD2 3.38Å; N537-F539 HydrophobicContact CB-CE1 4.37Å; N537-F539 HydrophobicContact CB-CE2 3.16Å; N537-F539 HydrophobicContact CB-CG 4.14Å; N537-F539 HydrophobicContact CB-CZ 3.71Å; N537-F539 PolarHBondContact O-N 3.25Å; F539-H547 AromaticContact CD1-CE1 3.68Å; F539-H547 AromaticContact CD1-NE2 3.53Å; F539-H547 AromaticContact CE1-CE1 3.51Å; F539-H547 AromaticContact CE1-ND1 3.94Å; F539-H547 AromaticContact CE1-NE2 3.87Å; F539-H547 AromaticContact CE2-ND1 3.94Å; F539-H547 AromaticContact CG-CD2 3.86Å; F539-H547 AromaticContact CG-NE2 3.79Å; F539-H547 AromaticContact CZ-CE1 3.81Å; F539-H547 AromaticContact CZ-ND1 3.75Å | ||
| 540 | P | 88.7 | Confident | 87.1 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | trans | -70.6 | 153.9 | 177.2 | 30.7 | -34.3 | 0 | 0 | 0 | 111.4 | E542 E543 | P540-E542 VanDerWaalsContact C-N 3.29Å; P540-E542 WeakPolarHBondContact CB-OE2 3.19Å; P540-E542 PolarHBondContact O-N 2.01Å; P540-E543 HydrophobicContact CG-CB 4.1Å; P540-E543 HydrophobicContact CG-CG 3.69Å; P540-E543 VanDerWaalsContact CG-OE1 3.28Å; P540-E543 WeakPolarHBondContact CG-OE1 3.25Å; P540-E543 PolarHBondContact O-N 3.3Å | ||
| 541 | K | 84 | Confident | 86.9 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -70.2 | -29 | -175 | -169.5 | -173.6 | -176.6 | -157.3 | 0 | 112.1 | F495 R496 D498 E543 F544 | F495-K541 VanDerWaalsContact O-CE 3.24Å; F495-K541 WeakPolarHBondContact O-CE 3.37Å; R496-K541 VanDerWaalsContact O-CE 3.29Å; R496-K541 WeakPolarHBondContact O-CE 3.17Å; R496-K541 PolarHBondContact O-NZ 2.77Å; D498-K541 IonicContact OD1-NZ 3.08Å; D498-K541 PolarHBondContact OD1-NZ 3.18Å; D498-K541 IonicContact OD2-NZ 3.21Å; K541-E543 PolarHBondContact O-N 3.25Å; K541-F544 WeakPolarHBondContact O-CB 3.41Å; K541-F544 PolarHBondContact O-N 2.88Å |
| 542 | E | 83.1 | Confident | 86.5 | Confident | 146 Ų | 146 | 62.6 Ų | 62.6 | 68% | 0.682 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -60.6 | -31.7 | 177.7 | -63.5 | 75.4 | -166.5 | 0 | 0 | 111.3 | P540 F544 | P540-E542 VanDerWaalsContact C-N 3.29Å; P540-E542 WeakPolarHBondContact CB-OE2 3.19Å; P540-E542 PolarHBondContact O-N 2.01Å; E542-F544 VanDerWaalsContact C-N 3.27Å; E542-F544 PolarHBondContact O-N 3.17Å |
| 543 | E | 84.5 | Confident | 86.2 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -87.3 | 17 | 177.4 | -63.7 | 177.4 | -158.5 | 0 | 0 | 112.9 | P540 K541 Y545 D546 H547 | P540-E543 HydrophobicContact CG-CB 4.1Å; P540-E543 HydrophobicContact CG-CG 3.69Å; P540-E543 VanDerWaalsContact CG-OE1 3.28Å; P540-E543 WeakPolarHBondContact CG-OE1 3.25Å; P540-E543 PolarHBondContact O-N 3.3Å; K541-E543 PolarHBondContact O-N 3.25Å; E543-Y545 PolarHBondContact O-N 2.78Å; E543-Y545 VanDerWaalsContact O-N 3.1Å; E543-D546 WeakPolarHBondContact CA-OD2 3.29Å; E543-D546 HydrophobicContact CB-CB 4.22Å; E543-D546 WeakPolarHBondContact CG-OD2 3.3Å; E543-D546 PolarHBondContact O-N 3.44Å; E543-H547 PolarHBondContact O-CD2 2.88Å; E543-H547 IonicContact OE2-CD2 2.68Å; E543-H547 IonicContact OE2-CE1 3.19Å; E543-H547 IonicContact OE2-NE2 3.83Å; E543-H547 PolarHBondContact OE2-NE2 3.09Å |
| 544 | F | 86.3 | Confident | 85.9 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 4% | 0.044 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -38 | -175.1 | -178.8 | -87.5 | 0 | 0 | 0 | 113 | F495 R496 W526 Y527 Y530 M534 K541 E542 | F495-F544 HydrophobicContact CB-CD1 3.82Å; F495-F544 HydrophobicContact CB-CD2 4.39Å; F495-F544 HydrophobicContact CB-CE1 3.42Å; F495-F544 VanDerWaalsContact CB-CE1 3.42Å; F495-F544 HydrophobicContact CB-CE2 4.03Å; F495-F544 HydrophobicContact CB-CG 4.3Å; F495-F544 HydrophobicContact CB-CZ 3.52Å; F495-F544 HydrophobicContact CD1-CZ 4.13Å; F495-F544 HydrophobicContact CD2-CE1 4.09Å; F495-F544 HydrophobicContact CD2-CZ 4.4Å; F495-F544 AromaticContact CG-CE1 3.8Å; F495-F544 HydrophobicContact CG-CE1 3.8Å; F495-F544 AromaticContact CG-CZ 3.77Å; F495-F544 HydrophobicContact CG-CZ 3.77Å; R496-F544 HydrophobicContact CG-CB 4.09Å; W526-F544 HydrophobicContact CH2-CE1 4.25Å; W526-F544 HydrophobicContact CH2-CZ 4.09Å; W526-F544 HydrophobicContact CZ3-CE1 4.4Å; W526-F544 HydrophobicContact CZ3-CZ 4.01Å; Y527-F544 HydrophobicContact CD2-CE2 4.24Å; Y527-F544 HydrophobicContact CD2-CZ 4.03Å; Y527-F544 AromaticContact CE2-CE2 3.89Å; Y527-F544 HydrophobicContact CE2-CE2 3.89Å; Y527-F544 HydrophobicContact CE2-CZ 4.1Å; Y530-F544 HydrophobicContact CD1-CD2 4.12Å; Y530-F544 HydrophobicContact CD1-CE1 4.05Å; Y530-F544 AromaticContact CD1-CE2 3.44Å; Y530-F544 HydrophobicContact CD1-CE2 3.44Å; Y530-F544 VanDerWaalsContact CD1-CE2 3.44Å; Y530-F544 AromaticContact CD1-CZ 3.41Å; Y530-F544 HydrophobicContact CD1-CZ 3.41Å; Y530-F544 VanDerWaalsContact CD1-CZ 3.41Å; Y530-F544 HydrophobicContact CE1-CD1 4.05Å; Y530-F544 AromaticContact CE1-CD2 3.75Å; Y530-F544 HydrophobicContact CE1-CD2 3.75Å; Y530-F544 AromaticContact CE1-CE1 3.85Å; Y530-F544 HydrophobicContact CE1-CE1 3.85Å; Y530-F544 AromaticContact CE1-CE2 3.55Å; Y530-F544 HydrophobicContact CE1-CE2 3.55Å; Y530-F544 HydrophobicContact CE1-CG 4Å; Y530-F544 AromaticContact CE1-CZ 3.61Å; Y530-F544 HydrophobicContact CE1-CZ 3.61Å; Y530-F544 WeakPolarHBondContact CE1-O 3.39Å; Y530-F544 VanDerWaalsContact CZ-O 3.24Å; Y530-F544 PolarHBondContact OH-O 3.28Å; M534-F544 HydrophobicContact SD-CD2 4.31Å; K541-F544 WeakPolarHBondContact O-CB 3.41Å; K541-F544 PolarHBondContact O-N 2.88Å; E542-F544 VanDerWaalsContact C-N 3.27Å; E542-F544 PolarHBondContact O-N 3.17Å |
| 545 | Y | 85 | Confident | 85.2 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -12.6 | -179.6 | -59.9 | -64.4 | 0 | 0 | 0 | 113.9 | D494 F495 R496 E543 F548 C578 I579 | D494-Y545 PolarHBondContact OD1-OH 3.24Å; D494-Y545 VanDerWaalsContact OD1-OH 3.12Å; F495-Y545 HydrophobicContact CD2-CE1 4.5Å; F495-Y545 PolarHBondContact N-OH 3.41Å; R496-Y545 HydrophobicContact CG-CD2 4.38Å; R496-Y545 HydrophobicContact CG-CE2 3.97Å; E543-Y545 PolarHBondContact O-N 2.78Å; E543-Y545 VanDerWaalsContact O-N 3.1Å; Y545-F548 WeakPolarHBondContact O-CB 3.3Å; Y545-C578 HydrophobicContact CD1-CB 4.05Å; Y545-C578 WeakPolarHBondContact CD1-SG 3.31Å; Y545-C578 HydrophobicContact CD2-CB 4.48Å; Y545-C578 HydrophobicContact CE1-CB 4.26Å; Y545-C578 HydrophobicContact CG-CB 4.18Å; Y545-I579 HydrophobicContact CE1-CD1 3.91Å; Y545-I579 HydrophobicContact CE1-CG1 4.17Å |
| 546 | D | 83.4 | Confident | 84.4 | Confident | 90 Ų | 90 | 71.3 Ų | 71.3 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -37.4 | -173.8 | -63 | -19.6 | 0 | 0 | 0 | 111.3 | E543 F548 | E543-D546 WeakPolarHBondContact CA-OD2 3.29Å; E543-D546 HydrophobicContact CB-CB 4.22Å; E543-D546 WeakPolarHBondContact CG-OD2 3.3Å; E543-D546 PolarHBondContact O-N 3.44Å; D546-F548 VanDerWaalsContact C-N 3.33Å; D546-F548 PolarHBondContact O-N 3.45Å |
| 547 | H | 85.3 | Confident | 83.9 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 15% | 0.148 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.8 | -177.8 | -60.1 | -73 | 0 | 0 | 0 | 113.8 | Y533 M534 F539 E543 S549 T550 F551 | Y533-H547 HydrophobicContact CE1-CB 4.37Å; M534-H547 HydrophobicContact CE-CB 3.79Å; F539-H547 AromaticContact CD1-CE1 3.68Å; F539-H547 AromaticContact CD1-NE2 3.53Å; F539-H547 AromaticContact CE1-CE1 3.51Å; F539-H547 AromaticContact CE1-ND1 3.94Å; F539-H547 AromaticContact CE1-NE2 3.87Å; F539-H547 AromaticContact CE2-ND1 3.94Å; F539-H547 AromaticContact CG-CD2 3.86Å; F539-H547 AromaticContact CG-NE2 3.79Å; F539-H547 AromaticContact CZ-CE1 3.81Å; F539-H547 AromaticContact CZ-ND1 3.75Å; E543-H547 PolarHBondContact O-CD2 2.88Å; E543-H547 IonicContact OE2-CD2 2.68Å; E543-H547 IonicContact OE2-CE1 3.19Å; E543-H547 IonicContact OE2-NE2 3.83Å; E543-H547 PolarHBondContact OE2-NE2 3.09Å; H547-S549 PolarHBondContact O-N 3.01Å; H547-T550 PolarHBondContact O-N 3.08Å; H547-F551 PolarHBondContact O-N 2.94Å |
| 548 | F | 82.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | -176.7 | -140.2 | -129.8 | 0 | 0 | 0 | 111.6 | W526 Y530 Y545 D546 T550 F551 F552 I564 W566 I579 | W526-F548 HydrophobicContact CE3-CE2 4.11Å; W526-F548 HydrophobicContact CE3-CZ 4.14Å; W526-F548 HydrophobicContact CH2-CE2 4.1Å; W526-F548 AromaticContact CH2-CZ 3.96Å; W526-F548 HydrophobicContact CH2-CZ 3.96Å; W526-F548 AromaticContact CZ3-CE2 3.52Å; W526-F548 HydrophobicContact CZ3-CE2 3.52Å; W526-F548 AromaticContact CZ3-CZ 3.7Å; W526-F548 HydrophobicContact CZ3-CZ 3.7Å; Y530-F548 HydrophobicContact CD1-CD2 4.22Å; Y530-F548 HydrophobicContact CD1-CE2 4.06Å; Y530-F548 HydrophobicContact CD2-CD2 4.24Å; Y530-F548 HydrophobicContact CD2-CE2 4.41Å; Y530-F548 AromaticContact CE1-CD2 3.78Å; Y530-F548 HydrophobicContact CE1-CD2 3.78Å; Y530-F548 HydrophobicContact CE1-CE2 4.05Å; Y530-F548 AromaticContact CE2-CD2 3.84Å; Y530-F548 HydrophobicContact CE2-CD2 3.84Å; Y530-F548 HydrophobicContact CE2-CE2 4.43Å; Y530-F548 HydrophobicContact CG-CD2 4.43Å; Y530-F548 HydrophobicContact CG-CE2 4.23Å; Y530-F548 AromaticContact CZ-CD2 3.59Å; Y530-F548 PolarHBondContact OH-N 3.07Å; Y545-F548 WeakPolarHBondContact O-CB 3.3Å; D546-F548 VanDerWaalsContact C-N 3.33Å; D546-F548 PolarHBondContact O-N 3.45Å; F548-T550 PolarHBondContact O-N 2.79Å; F548-F551 PolarHBondContact O-N 3.15Å; F548-F552 HydrophobicContact CD1-CD2 4.36Å; F548-F552 AromaticContact CD1-CE2 3.39Å; F548-F552 HydrophobicContact CD1-CE2 3.39Å; F548-F552 HydrophobicContact CD1-CZ 4.07Å; F548-F552 HydrophobicContact CD2-CE2 4.27Å; F548-F552 HydrophobicContact CD2-CZ 4.45Å; F548-F552 AromaticContact CE1-CE2 3.44Å; F548-F552 HydrophobicContact CE1-CE2 3.44Å; F548-F552 VanDerWaalsContact CE1-CE2 3.44Å; F548-F552 AromaticContact CE1-CZ 3.7Å; F548-F552 HydrophobicContact CE1-CZ 3.7Å; F548-F552 HydrophobicContact CE2-CE2 4.31Å; F548-F552 HydrophobicContact CE2-CZ 4.11Å; F548-F552 AromaticContact CG-CE2 3.82Å; F548-F552 HydrophobicContact CG-CE2 3.82Å; F548-F552 HydrophobicContact CG-CZ 4.42Å; F548-F552 AromaticContact CZ-CE2 3.92Å; F548-F552 HydrophobicContact CZ-CE2 3.92Å; F548-F552 AromaticContact CZ-CZ 3.72Å; F548-F552 HydrophobicContact CZ-CZ 3.72Å; F548-F552 WeakPolarHBondContact O-CD2 3.42Å; F548-F552 PolarHBondContact O-N 3.41Å; F548-I564 HydrophobicContact CE1-CD1 4.22Å; F548-I564 HydrophobicContact CE1-CG2 4.22Å; F548-I564 HydrophobicContact CZ-CD1 3.68Å; F548-I564 HydrophobicContact CZ-CG2 4.41Å; F548-W566 HydrophobicContact CB-CZ3 4.16Å; F548-W566 AromaticContact CD1-CD2 3.89Å; F548-W566 HydrophobicContact CD1-CD2 3.89Å; F548-W566 AromaticContact CD1-CE3 3.58Å; F548-W566 HydrophobicContact CD1-CE3 3.58Å; F548-W566 HydrophobicContact CD1-CG 4.35Å; F548-W566 AromaticContact CD1-CZ3 4Å; F548-W566 HydrophobicContact CD1-CZ3 4Å; F548-W566 HydrophobicContact CE1-CB 4.35Å; F548-W566 HydrophobicContact CE1-CD2 4.31Å; F548-W566 HydrophobicContact CE1-CE3 4.36Å; F548-W566 HydrophobicContact CE1-CG 4.31Å; F548-I579 HydrophobicContact CE1-CD1 4.24Å; F548-I579 HydrophobicContact CE1-CG1 4.42Å; F548-I579 HydrophobicContact CZ-CD1 3.96Å |
| 549 | S | 80.5 | Confident | 82.4 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 176.9 | 68 | 0 | 0 | 0 | 0 | 112.6 | H547 F551 Q553 | H547-S549 PolarHBondContact O-N 3.01Å; S549-F551 VanDerWaalsContact C-N 3.35Å; S549-Q553 WeakPolarHBondContact O-CG 3.38Å; S549-Q553 PolarHBondContact O-N 3.05Å |
| 550 | T | 84.8 | Confident | 81.9 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | 178.6 | -50.2 | 0 | 0 | 0 | 0 | 111.9 | H547 F548 | H547-T550 PolarHBondContact O-N 3.08Å; F548-T550 PolarHBondContact O-N 2.79Å |
| 551 | F | 85.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -50 | 176.3 | 175.7 | -104.9 | 0 | 0 | 0 | 111.9 | Y530 Y533 H547 F548 S549 Q553 R554 F557 | Y530-F551 HydrophobicContact CD2-CB 3.85Å; Y530-F551 AromaticContact CD2-CD1 3.69Å; Y530-F551 HydrophobicContact CD2-CD1 3.69Å; Y530-F551 AromaticContact CD2-CD2 3.59Å; Y530-F551 HydrophobicContact CD2-CD2 3.59Å; Y530-F551 HydrophobicContact CD2-CE1 4.03Å; Y530-F551 AromaticContact CD2-CE2 3.93Å; Y530-F551 HydrophobicContact CD2-CE2 3.93Å; Y530-F551 AromaticContact CD2-CG 3.45Å; Y530-F551 HydrophobicContact CD2-CG 3.45Å; Y530-F551 VanDerWaalsContact CD2-CG 3.45Å; Y530-F551 HydrophobicContact CD2-CZ 4.14Å; Y530-F551 HydrophobicContact CE2-CB 3.66Å; Y530-F551 HydrophobicContact CE2-CD1 4.29Å; Y530-F551 HydrophobicContact CE2-CD2 4.18Å; Y530-F551 AromaticContact CE2-CG 3.83Å; Y530-F551 HydrophobicContact CE2-CG 3.83Å; Y533-F551 HydrophobicContact CD1-CB 4.32Å; Y533-F551 AromaticContact CD1-CD2 3.79Å; Y533-F551 HydrophobicContact CD1-CD2 3.79Å; Y533-F551 HydrophobicContact CD1-CG 4.48Å; Y533-F551 HydrophobicContact CD2-CD2 4.16Å; Y533-F551 HydrophobicContact CE1-CB 4.23Å; Y533-F551 HydrophobicContact CE1-CD2 4.39Å; Y533-F551 AromaticContact CG-CD2 3.66Å; Y533-F551 HydrophobicContact CG-CD2 3.66Å; Y533-F551 HydrophobicContact CG-CE2 4.18Å; H547-F551 PolarHBondContact O-N 2.94Å; F548-F551 PolarHBondContact O-N 3.15Å; S549-F551 VanDerWaalsContact C-N 3.35Å; F551-Q553 VanDerWaalsContact C-N 3.3Å; F551-Q553 PolarHBondContact O-N 3.38Å; F551-R554 WeakPolarHBondContact O-CB 3.24Å; F551-R554 PolarHBondContact O-N 3Å; F551-F557 HydrophobicContact CD1-CB 4.05Å; F551-F557 HydrophobicContact CD2-CB 4.11Å; F551-F557 HydrophobicContact CD2-CD1 4.48Å; F551-F557 AromaticContact CD2-CD2 3.27Å; F551-F557 HydrophobicContact CD2-CD2 3.27Å; F551-F557 AromaticContact CD2-CE2 3.66Å; F551-F557 HydrophobicContact CD2-CE2 3.66Å; F551-F557 AromaticContact CD2-CG 3.73Å; F551-F557 HydrophobicContact CD2-CG 3.73Å; F551-F557 HydrophobicContact CD2-CZ 4.44Å; F551-F557 HydrophobicContact CE1-CB 3.69Å; F551-F557 HydrophobicContact CE1-CG 4.07Å; F551-F557 HydrophobicContact CE2-CB 3.78Å; F551-F557 AromaticContact CE2-CD1 3.56Å; F551-F557 HydrophobicContact CE2-CD1 3.56Å; F551-F557 AromaticContact CE2-CD2 3.15Å; F551-F557 HydrophobicContact CE2-CD2 3.15Å; F551-F557 AromaticContact CE2-CE1 3.85Å; F551-F557 HydrophobicContact CE2-CE1 3.85Å; F551-F557 AromaticContact CE2-CE2 3.43Å; F551-F557 HydrophobicContact CE2-CE2 3.43Å; F551-F557 VanDerWaalsContact CE2-CE2 3.43Å; F551-F557 AromaticContact CE2-CG 3.21Å; F551-F557 HydrophobicContact CE2-CG 3.21Å; F551-F557 AromaticContact CE2-CZ 3.78Å; F551-F557 HydrophobicContact CE2-CZ 3.78Å; F551-F557 HydrophobicContact CG-CB 4.26Å; F551-F557 HydrophobicContact CG-CD2 4.08Å; F551-F557 HydrophobicContact CG-CG 4.37Å; F551-F557 HydrophobicContact CZ-CB 3.55Å; F551-F557 AromaticContact CZ-CD1 3.61Å; F551-F557 HydrophobicContact CZ-CD1 3.61Å; F551-F557 AromaticContact CZ-CD2 3.87Å; F551-F557 HydrophobicContact CZ-CD2 3.87Å; F551-F557 HydrophobicContact CZ-CE1 4.23Å; F551-F557 HydrophobicContact CZ-CE2 4.42Å; F551-F557 AromaticContact CZ-CG 3.4Å; F551-F557 HydrophobicContact CZ-CG 3.4Å; F551-F557 VanDerWaalsContact CZ-CG 3.4Å |
| 552 | F | 81.8 | Confident | 80.7 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.4 | -17.1 | -179.3 | -60.8 | -55.8 | 0 | 0 | 0 | 114.9 | F548 R554 H560 L561 I564 W566 | F548-F552 HydrophobicContact CD1-CD2 4.36Å; F548-F552 AromaticContact CD1-CE2 3.39Å; F548-F552 HydrophobicContact CD1-CE2 3.39Å; F548-F552 HydrophobicContact CD1-CZ 4.07Å; F548-F552 HydrophobicContact CD2-CE2 4.27Å; F548-F552 HydrophobicContact CD2-CZ 4.45Å; F548-F552 AromaticContact CE1-CE2 3.44Å; F548-F552 HydrophobicContact CE1-CE2 3.44Å; F548-F552 VanDerWaalsContact CE1-CE2 3.44Å; F548-F552 AromaticContact CE1-CZ 3.7Å; F548-F552 HydrophobicContact CE1-CZ 3.7Å; F548-F552 HydrophobicContact CE2-CE2 4.31Å; F548-F552 HydrophobicContact CE2-CZ 4.11Å; F548-F552 AromaticContact CG-CE2 3.82Å; F548-F552 HydrophobicContact CG-CE2 3.82Å; F548-F552 HydrophobicContact CG-CZ 4.42Å; F548-F552 AromaticContact CZ-CE2 3.92Å; F548-F552 HydrophobicContact CZ-CE2 3.92Å; F548-F552 AromaticContact CZ-CZ 3.72Å; F548-F552 HydrophobicContact CZ-CZ 3.72Å; F548-F552 WeakPolarHBondContact O-CD2 3.42Å; F548-F552 PolarHBondContact O-N 3.41Å; F552-R554 PolarHBondContact O-N 3.48Å; F552-H560 HydrophobicContact CD1-CB 4.5Å; F552-H560 HydrophobicContact CE1-CB 3.88Å; F552-L561 HydrophobicContact CB-CD1 3.77Å; F552-L561 HydrophobicContact CD1-CB 4.34Å; F552-L561 HydrophobicContact CD1-CD1 4.34Å; F552-L561 HydrophobicContact CD2-CD1 3.97Å; F552-L561 HydrophobicContact CG-CD1 3.77Å; F552-I564 HydrophobicContact CE1-CD1 4.26Å; F552-I564 HydrophobicContact CZ-CD1 3.71Å; F552-W566 HydrophobicContact CD2-CZ2 4.19Å |
| 553 | Q | 82.5 | Confident | 80.6 | Confident | 149 Ų | 149 | 53.3 Ų | 53.3 | 70% | 0.696 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20.1 | 171.4 | -78.2 | 175.5 | 7.3 | 0 | 0 | 112.6 | S549 F551 | S549-Q553 WeakPolarHBondContact O-CG 3.38Å; S549-Q553 PolarHBondContact O-N 3.05Å; F551-Q553 VanDerWaalsContact C-N 3.3Å; F551-Q553 PolarHBondContact O-N 3.38Å |
| 554 | R | 82.5 | Confident | 80.5 | Confident | 104 Ų | 104 | 50.2 Ų | 50.2 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -79.4 | 126.6 | 175.1 | -60.8 | -173.6 | 177.1 | -152.4 | 1.5 | 109.8 | F551 F552 Q556 F557 R558 | F551-R554 WeakPolarHBondContact O-CB 3.24Å; F551-R554 PolarHBondContact O-N 3Å; F552-R554 PolarHBondContact O-N 3.48Å; R554-Q556 HydrophobicContact CB-CG 4.17Å; R554-Q556 PolarHBondContact O-N 3.44Å; R554-F557 HydrophobicContact CB-CD2 4.05Å; R554-F557 PolarHBondContact O-N 3.3Å; R554-R558 PolarHBondContact O-N 3.22Å; R554-R558 VanDerWaalsContact O-N 3.13Å |
| 555 | D | 75.2 | Confident | 80.2 | Confident | 131 Ų | 131 | 51.3 Ų | 51.3 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -35.3 | -178.1 | -69.3 | -40 | 0 | 0 | 0 | 113.1 | F557 R558 | D555-F557 VanDerWaalsContact C-N 3.26Å; D555-F557 PolarHBondContact O-N 2.75Å; D555-R558 PolarHBondContact O-N 3.13Å; D555-R558 IonicContact OD1-NH1 3.36Å |
| 556 | Q | 73.4 | Confident | 79.8 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25.4 | 179.1 | 69.3 | -172.8 | 11.4 | 0 | 0 | 114.5 | L132 R554 Q559 | L132-Q556 HydrophobicContact CD1-CB 3.93Å; R554-Q556 HydrophobicContact CB-CG 4.17Å; R554-Q556 PolarHBondContact O-N 3.44Å; Q556-Q559 PolarHBondContact O-NE2 3.29Å |
| 557 | F | 81 | Confident | 79.3 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 6% | 0.057 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -4.7 | -177.3 | -57.7 | -49 | 0 | 0 | 0 | 113.2 | Y533 F551 R554 D555 Q559 H560 | Y533-F557 HydrophobicContact CD2-CE2 4.02Å; F551-F557 HydrophobicContact CD1-CB 4.05Å; F551-F557 HydrophobicContact CD2-CB 4.11Å; F551-F557 HydrophobicContact CD2-CD1 4.48Å; F551-F557 AromaticContact CD2-CD2 3.27Å; F551-F557 HydrophobicContact CD2-CD2 3.27Å; F551-F557 AromaticContact CD2-CE2 3.66Å; F551-F557 HydrophobicContact CD2-CE2 3.66Å; F551-F557 AromaticContact CD2-CG 3.73Å; F551-F557 HydrophobicContact CD2-CG 3.73Å; F551-F557 HydrophobicContact CD2-CZ 4.44Å; F551-F557 HydrophobicContact CE1-CB 3.69Å; F551-F557 HydrophobicContact CE1-CG 4.07Å; F551-F557 HydrophobicContact CE2-CB 3.78Å; F551-F557 AromaticContact CE2-CD1 3.56Å; F551-F557 HydrophobicContact CE2-CD1 3.56Å; F551-F557 AromaticContact CE2-CD2 3.15Å; F551-F557 HydrophobicContact CE2-CD2 3.15Å; F551-F557 AromaticContact CE2-CE1 3.85Å; F551-F557 HydrophobicContact CE2-CE1 3.85Å; F551-F557 AromaticContact CE2-CE2 3.43Å; F551-F557 HydrophobicContact CE2-CE2 3.43Å; F551-F557 VanDerWaalsContact CE2-CE2 3.43Å; F551-F557 AromaticContact CE2-CG 3.21Å; F551-F557 HydrophobicContact CE2-CG 3.21Å; F551-F557 AromaticContact CE2-CZ 3.78Å; F551-F557 HydrophobicContact CE2-CZ 3.78Å; F551-F557 HydrophobicContact CG-CB 4.26Å; F551-F557 HydrophobicContact CG-CD2 4.08Å; F551-F557 HydrophobicContact CG-CG 4.37Å; F551-F557 HydrophobicContact CZ-CB 3.55Å; F551-F557 AromaticContact CZ-CD1 3.61Å; F551-F557 HydrophobicContact CZ-CD1 3.61Å; F551-F557 AromaticContact CZ-CD2 3.87Å; F551-F557 HydrophobicContact CZ-CD2 3.87Å; F551-F557 HydrophobicContact CZ-CE1 4.23Å; F551-F557 HydrophobicContact CZ-CE2 4.42Å; F551-F557 AromaticContact CZ-CG 3.4Å; F551-F557 HydrophobicContact CZ-CG 3.4Å; F551-F557 VanDerWaalsContact CZ-CG 3.4Å; R554-F557 HydrophobicContact CB-CD2 4.05Å; R554-F557 PolarHBondContact O-N 3.3Å; D555-F557 VanDerWaalsContact C-N 3.26Å; D555-F557 PolarHBondContact O-N 2.75Å; F557-Q559 PolarHBondContact O-N 3.12Å; F557-Q559 VanDerWaalsContact O-N 3.13Å; F557-H560 WeakPolarHBondContact O-CB 3.28Å; F557-H560 PolarHBondContact O-N 3.38Å; F557-H560 VanDerWaalsContact O-N 3.08Å |
| 558 | R | 76.8 | Confident | 78.4 | Confident | 155 Ų | 155 | 55.4 Ų | 55.4 | 59% | 0.585 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -59.3 | -27.4 | -175.5 | -167.8 | 174.4 | -176.4 | 171.4 | 1.1 | 113.6 | R554 D555 H560 L561 | R554-R558 PolarHBondContact O-N 3.22Å; R554-R558 VanDerWaalsContact O-N 3.13Å; D555-R558 PolarHBondContact O-N 3.13Å; D555-R558 IonicContact OD1-NH1 3.36Å; R558-H560 VanDerWaalsContact C-N 3.3Å; R558-H560 PolarHBondContact O-N 3.2Å; R558-L561 WeakPolarHBondContact O-CB 3.17Å; R558-L561 PolarHBondContact O-N 2.93Å; R558-L561 VanDerWaalsContact O-N 3.16Å |
| 559 | Q | 72.9 | Confident | 77.6 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -61.1 | -35.4 | 176.4 | 69 | -166.7 | -38.4 | 0 | 0 | 113.4 | Q556 F557 L561 A562 | Q556-Q559 PolarHBondContact O-NE2 3.29Å; F557-Q559 PolarHBondContact O-N 3.12Å; F557-Q559 VanDerWaalsContact O-N 3.13Å; Q559-L561 PolarHBondContact O-N 2.98Å; Q559-L561 VanDerWaalsContact O-N 3.13Å; Q559-A562 PolarHBondContact O-N 2.86Å; Q559-A562 VanDerWaalsContact O-N 3.11Å |
| 560 | H | 80.1 | Confident | 76.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -67.3 | -14.2 | 179.3 | -64.7 | -58 | 0 | 0 | 0 | 112 | N524 W526 S529 F552 F557 R558 A562 E563 I564 | N524-H560 PolarHBondContact OD1-CE1 3.47Å; W526-H560 HydrophobicContact CB-CB 3.92Å; S529-H560 PolarHBondContact OG-NE2 3.43Å; F552-H560 HydrophobicContact CD1-CB 4.5Å; F552-H560 HydrophobicContact CE1-CB 3.88Å; F557-H560 WeakPolarHBondContact O-CB 3.28Å; F557-H560 PolarHBondContact O-N 3.38Å; F557-H560 VanDerWaalsContact O-N 3.08Å; R558-H560 VanDerWaalsContact C-N 3.3Å; R558-H560 PolarHBondContact O-N 3.2Å; H560-A562 PolarHBondContact O-N 2.88Å; H560-E563 IonicContact CE1-OE2 3.93Å; H560-E563 IonicContact CG-OE2 3.25Å; H560-E563 VanDerWaalsContact ND1-CD 3.34Å; H560-E563 IonicContact ND1-OE1 2.71Å; H560-E563 PolarHBondContact ND1-OE1 3.48Å; H560-E563 IonicContact ND1-OE2 3.52Å; H560-E563 PolarHBondContact ND1-OE2 3.08Å; H560-E563 WeakPolarHBondContact O-CB 3.34Å; H560-E563 PolarHBondContact O-N 3.27Å; H560-I564 PolarHBondContact O-N 3.37Å |
| 561 | L | 76.3 | Confident | 76.1 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -60.4 | -30.7 | 172.8 | -166 | 96.8 | 0 | 0 | 0 | 111.9 | N77 F552 R558 Q559 E563 | N77-L561 HydrophobicContact CB-CD2 4.49Å; F552-L561 HydrophobicContact CB-CD1 3.77Å; F552-L561 HydrophobicContact CD1-CB 4.34Å; F552-L561 HydrophobicContact CD1-CD1 4.34Å; F552-L561 HydrophobicContact CD2-CD1 3.97Å; F552-L561 HydrophobicContact CG-CD1 3.77Å; R558-L561 WeakPolarHBondContact O-CB 3.17Å; R558-L561 PolarHBondContact O-N 2.93Å; R558-L561 VanDerWaalsContact O-N 3.16Å; Q559-L561 PolarHBondContact O-N 2.98Å; Q559-L561 VanDerWaalsContact O-N 3.13Å; L561-E563 VanDerWaalsContact C-N 3.26Å |
| 562 | A | 72.1 | Confident | 74.9 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -79 | -11 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q559 H560 Y583 | Q559-A562 PolarHBondContact O-N 2.86Å; Q559-A562 VanDerWaalsContact O-N 3.11Å; H560-A562 PolarHBondContact O-N 2.88Å; A562-Y583 WeakPolarHBondContact O-CE1 3.45Å; A562-Y583 PolarHBondContact O-OH 3.25Å |
| 563 | E | 79.5 | Confident | 73.8 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -19.7 | -177 | -65.2 | 170.3 | -169.1 | 0 | 0 | 112.7 | N524 H560 L561 F582 Y583 | N524-E563 PolarHBondContact ND2-OE1 3.07Å; H560-E563 IonicContact CE1-OE2 3.93Å; H560-E563 IonicContact CG-OE2 3.25Å; H560-E563 VanDerWaalsContact ND1-CD 3.34Å; H560-E563 IonicContact ND1-OE1 2.71Å; H560-E563 PolarHBondContact ND1-OE1 3.48Å; H560-E563 IonicContact ND1-OE2 3.52Å; H560-E563 PolarHBondContact ND1-OE2 3.08Å; H560-E563 WeakPolarHBondContact O-CB 3.34Å; H560-E563 PolarHBondContact O-N 3.27Å; L561-E563 VanDerWaalsContact C-N 3.26Å; E563-F582 CarbonylContact O-C 3.47Å; E563-F582 WeakPolarHBondContact O-CA 3.34Å; E563-F582 WeakPolarHBondContact O-CB 3.43Å; E563-Y583 VanDerWaalsContact CA-CE1 3.49Å; E563-Y583 HydrophobicContact CB-CE1 4.33Å; E563-Y583 HydrophobicContact CG-CE1 4.44Å; E563-Y583 HydrophobicContact CG-CE2 4.03Å; E563-Y583 PolarHBondContact O-N 2.89Å |
| 564 | I | 82.6 | Confident | 72.7 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.9 | -167.9 | -50.2 | 174.4 | 0 | 0 | 0 | 110.8 | W526 F548 F552 H560 W566 I579 F582 | W526-I564 HydrophobicContact CB-CD1 3.99Å; W526-I564 HydrophobicContact CD2-CD1 3.24Å; W526-I564 HydrophobicContact CD2-CG1 4.04Å; W526-I564 HydrophobicContact CE3-CD1 3.68Å; W526-I564 HydrophobicContact CG-CD1 3.38Å; W526-I564 HydrophobicContact CG-CG1 3.83Å; W526-I564 HydrophobicContact CZ2-CD1 4.19Å; W526-I564 HydrophobicContact CZ3-CD1 4.34Å; F548-I564 HydrophobicContact CE1-CD1 4.22Å; F548-I564 HydrophobicContact CE1-CG2 4.22Å; F548-I564 HydrophobicContact CZ-CD1 3.68Å; F548-I564 HydrophobicContact CZ-CG2 4.41Å; F552-I564 HydrophobicContact CE1-CD1 4.26Å; F552-I564 HydrophobicContact CZ-CD1 3.71Å; H560-I564 PolarHBondContact O-N 3.37Å; I564-W566 HydrophobicContact CG2-CB 4.29Å; I564-I579 HydrophobicContact CG2-CD1 4.37Å; I564-I579 HydrophobicContact CG2-CG1 4.31Å; I564-I579 HydrophobicContact CG2-CG2 3.8Å; I564-F582 HydrophobicContact CB-CB 4.35Å; I564-F582 HydrophobicContact CG1-CB 4.12Å; I564-F582 HydrophobicContact CG2-CB 4.31Å |
| 565 | R | 79.6 | Confident | 71.7 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.1 | 167.8 | -50.5 | -176.2 | 44.8 | -154.9 | -20.4 | 108.4 | F70 S73 D75 N76 I579 S580 G581 | F70-R565 HydrophobicContact CE1-CG 4.15Å; F70-R565 HydrophobicContact CE2-CG 4.02Å; F70-R565 HydrophobicContact CZ-CG 3.67Å; S73-R565 PolarHBondContact OG-NE 3.1Å; S73-R565 PolarHBondContact OG-NH1 3.24Å; S73-R565 PolarHBondContact OG-NH2 3.3Å; D75-R565 IonicContact OD2-NH2 2.9Å; N76-R565 WeakPolarHBondContact OD1-CB 3.39Å; N76-R565 WeakPolarHBondContact OD1-CD 3.23Å; N76-R565 WeakPolarHBondContact OD1-CG 3.14Å; N76-R565 PolarHBondContact OD1-NE 3.3Å; R565-I579 CarbonylContact O-C 3.57Å; R565-I579 WeakPolarHBondContact O-CA 3.33Å; R565-I579 WeakPolarHBondContact O-CG2 3.03Å; R565-S580 VanDerWaalsContact CB-OG 3.29Å; R565-S580 WeakPolarHBondContact CB-OG 3.48Å; R565-S580 PolarHBondContact O-N 3.41Å; R565-S580 PolarHBondContact O-OG 3.13Å; R565-G581 WeakPolarHBondContact CA-O 3.24Å; R565-G581 WeakPolarHBondContact CB-O 3.3Å; R565-G581 PolarHBondContact N-O 2.8Å |
| 566 | W | 77.6 | Confident | 70.9 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 143.7 | -178.9 | 75.6 | -58.6 | 0 | 0 | 0 | 110.9 | F548 F552 I564 N568 C571 C578 | F548-W566 HydrophobicContact CB-CZ3 4.16Å; F548-W566 AromaticContact CD1-CD2 3.89Å; F548-W566 HydrophobicContact CD1-CD2 3.89Å; F548-W566 AromaticContact CD1-CE3 3.58Å; F548-W566 HydrophobicContact CD1-CE3 3.58Å; F548-W566 HydrophobicContact CD1-CG 4.35Å; F548-W566 AromaticContact CD1-CZ3 4Å; F548-W566 HydrophobicContact CD1-CZ3 4Å; F548-W566 HydrophobicContact CE1-CB 4.35Å; F548-W566 HydrophobicContact CE1-CD2 4.31Å; F548-W566 HydrophobicContact CE1-CE3 4.36Å; F548-W566 HydrophobicContact CE1-CG 4.31Å; F552-W566 HydrophobicContact CD2-CZ2 4.19Å; I564-W566 HydrophobicContact CG2-CB 4.29Å; W566-N568 HydrophobicContact CH2-CB 4.33Å; W566-N568 HydrophobicContact CZ3-CB 4.28Å; W566-C571 HydrophobicContact CE3-CB 4.5Å; W566-C578 WeakPolarHBondContact CA-O 3.19Å; W566-C578 WeakPolarHBondContact CB-O 3.33Å |
| 567 | R | 72.2 | Confident | 70.5 | Confident | 116 Ų | 116 | 72.8 Ų | 72.8 | 44% | 0.438 | 36% | 0.356 | S | S | . | . | trans | -107.5 | 109.3 | 175 | -93.8 | -173 | -110.1 | -173.5 | -11.5 | 109.7 | D75 E569 S570 C571 C578 | D75-R567 IonicContact OD1-CZ 2.79Å; D75-R567 VanDerWaalsContact OD1-CZ 3.26Å; D75-R567 IonicContact OD1-NE 2.97Å; D75-R567 PolarHBondContact OD1-NE 3.1Å; D75-R567 IonicContact OD1-NH2 3.61Å; D75-R567 PolarHBondContact OD1-NH2 3.2Å; D75-R567 IonicContact OD2-CZ 3.9Å; D75-R567 VanDerWaalsContact OD2-CZ 3.25Å; D75-R567 IonicContact OD2-NE 3.14Å; D75-R567 PolarHBondContact OD2-NE 3.08Å; D75-R567 IonicContact OD2-NH2 3.75Å; D75-R567 PolarHBondContact OD2-NH2 3.24Å; R567-E569 PolarHBondContact O-N 2.74Å; R567-E569 VanDerWaalsContact O-N 3.17Å; R567-S570 WeakPolarHBondContact CB-OG 3.03Å; R567-S570 PolarHBondContact O-N 3.49Å; R567-C571 PolarHBondContact O-N 3.37Å; R567-C571 PolarHBondContact O-SG 2.96Å; R567-C578 PolarHBondContact N-O 2.75Å | ||
| 568 | N | 66.2 | Low | 70.3 | Confident | 70 Ų | 70 | 72.2 Ų | 72.2 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.2 | -35.9 | -177.1 | -161.7 | 5.8 | 0 | 0 | 0 | 112.3 | W566 R572 | W566-N568 HydrophobicContact CH2-CB 4.33Å; W566-N568 HydrophobicContact CZ3-CB 4.28Å; N568-R572 WeakPolarHBondContact O-CG 3.49Å; N568-R572 PolarHBondContact O-N 2.87Å; N568-R572 VanDerWaalsContact O-N 3.14Å |
| 569 | E | 66.7 | Low | 70.6 | Confident | 165 Ų | 165 | 65.2 Ų | 65.2 | 77% | 0.771 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.1 | -46 | 175.6 | -64.6 | -178.1 | 176.2 | 0 | 0 | 112.2 | R567 C571 R572 M573 | R567-E569 PolarHBondContact O-N 2.74Å; R567-E569 VanDerWaalsContact O-N 3.17Å; E569-C571 VanDerWaalsContact C-N 3.34Å; E569-C571 PolarHBondContact O-N 3.08Å; E569-R572 PolarHBondContact O-N 3.22Å; E569-M573 WeakPolarHBondContact O-CG 3.19Å; E569-M573 PolarHBondContact O-N 2.76Å |
| 570 | S | 66.5 | Low | 71 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 178 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | R567 M573 G575 | R567-S570 WeakPolarHBondContact CB-OG 3.03Å; R567-S570 PolarHBondContact O-N 3.49Å; S570-M573 PolarHBondContact O-N 3.35Å; S570-G575 PolarHBondContact O-N 3Å; S570-G575 VanDerWaalsContact O-N 3.07Å |
| 571 | C | 67.4 | Low | 71.3 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | W566 R567 E569 M573 G574 C578 | W566-C571 HydrophobicContact CE3-CB 4.5Å; R567-C571 PolarHBondContact O-N 3.37Å; R567-C571 PolarHBondContact O-SG 2.96Å; E569-C571 VanDerWaalsContact C-N 3.34Å; E569-C571 PolarHBondContact O-N 3.08Å; C571-M573 PolarHBondContact O-N 3.39Å; C571-G574 PolarHBondContact O-N 2.91Å; C571-G574 VanDerWaalsContact O-N 3.08Å; C571-C578 HydrophobicContact CB-CB 3.89Å; C571-C578 WeakPolarHBondContact CB-SG 3.02Å; C571-C578 WeakPolarHBondContact SG-CA 3.24Å; C571-C578 WeakPolarHBondContact SG-CB 3.01Å; C571-C578 PolarHBondContact SG-O 3.46Å; C571-C578 VanDerWaalsContact SG-O 3.39Å; C571-C578 CovalentContact SG-SG 2.02Å; C571-C578 PolarHBondContact SG-SG 3.09Å |
| 572 | R | 61.2 | Low | 71.9 | Confident | 195 Ų | 195 | 61.1 Ų | 61.1 | 74% | 0.736 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.1 | -27.2 | 178.3 | -76.4 | -179.8 | 176.1 | -167.8 | -3.6 | 113.6 | N568 E569 G574 | N568-R572 WeakPolarHBondContact O-CG 3.49Å; N568-R572 PolarHBondContact O-N 2.87Å; N568-R572 VanDerWaalsContact O-N 3.14Å; E569-R572 PolarHBondContact O-N 3.22Å; R572-G574 PolarHBondContact O-N 3.29Å |
| 573 | M | 58.8 | Low | 72.8 | Confident | 168 Ų | 168 | 60.2 Ų | 60.2 | 83% | 0.828 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 4.3 | 177 | -68.1 | -77.7 | -74.8 | 0 | 0 | 112.7 | E569 S570 C571 G575 | E569-M573 WeakPolarHBondContact O-CG 3.19Å; E569-M573 PolarHBondContact O-N 2.76Å; S570-M573 PolarHBondContact O-N 3.35Å; C571-M573 PolarHBondContact O-N 3.39Å; M573-G575 PolarHBondContact O-N 3.23Å |
| 574 | G | 59.5 | Low | 73.3 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 14.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | R496 C571 R572 | R496-G574 PolarHBondContact NH1-O 3.11Å; C571-G574 PolarHBondContact O-N 2.91Å; C571-G574 VanDerWaalsContact O-N 3.08Å; R572-G574 PolarHBondContact O-N 3.29Å |
| 575 | G | 60.9 | Low | 73.6 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | trans | -64.4 | 143 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S570 M573 E577 C578 | S570-G575 PolarHBondContact O-N 3Å; S570-G575 VanDerWaalsContact O-N 3.07Å; M573-G575 PolarHBondContact O-N 3.23Å; G575-E577 PolarHBondContact O-N 2.97Å; G575-E577 VanDerWaalsContact O-N 3.09Å; G575-C578 PolarHBondContact O-N 2.98Å | ||
| 576 | L | 57.9 | Low | 74.1 | Confident | 145 Ų | 145 | 58.2 Ų | 58.2 | 76% | 0.759 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -18.2 | 175.4 | -80.9 | 133 | 0 | 0 | 0 | 113.4 | ||
| 577 | E | 64.5 | Low | 74.6 | Confident | 145 Ų | 145 | 56.5 Ų | 56.5 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 32.6 | -178.6 | -59.6 | -176.1 | 169 | 0 | 0 | 112.8 | G575 I579 | G575-E577 PolarHBondContact O-N 2.97Å; G575-E577 VanDerWaalsContact O-N 3.09Å; E577-I579 VanDerWaalsContact C-N 3.33Å |
| 578 | C | 77.5 | Confident | 75.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -59.5 | -45.6 | 175.2 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | Y545 W566 R567 C571 G575 | Y545-C578 HydrophobicContact CD1-CB 4.05Å; Y545-C578 WeakPolarHBondContact CD1-SG 3.31Å; Y545-C578 HydrophobicContact CD2-CB 4.48Å; Y545-C578 HydrophobicContact CE1-CB 4.26Å; Y545-C578 HydrophobicContact CG-CB 4.18Å; W566-C578 WeakPolarHBondContact CA-O 3.19Å; W566-C578 WeakPolarHBondContact CB-O 3.33Å; R567-C578 PolarHBondContact N-O 2.75Å; C571-C578 HydrophobicContact CB-CB 3.89Å; C571-C578 WeakPolarHBondContact CB-SG 3.02Å; C571-C578 WeakPolarHBondContact SG-CA 3.24Å; C571-C578 WeakPolarHBondContact SG-CB 3.01Å; C571-C578 PolarHBondContact SG-O 3.46Å; C571-C578 VanDerWaalsContact SG-O 3.39Å; C571-C578 CovalentContact SG-SG 2.02Å; C571-C578 PolarHBondContact SG-SG 3.09Å; G575-C578 PolarHBondContact O-N 2.98Å |
| 579 | I | 82.2 | Confident | 76.4 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.7 | 174.1 | -57.6 | 177.5 | 0 | 0 | 0 | 107.1 | P492 F495 W526 Y545 F548 I564 R565 E577 F582 | P492-I579 HydrophobicContact CB-CB 4.48Å; P492-I579 HydrophobicContact CB-CG2 4.12Å; P492-I579 HydrophobicContact CG-CB 4.1Å; P492-I579 HydrophobicContact CG-CG2 3.92Å; P492-I579 WeakPolarHBondContact CG-O 3.5Å; F495-I579 HydrophobicContact CD2-CD1 4.13Å; F495-I579 HydrophobicContact CE2-CD1 3.93Å; W526-I579 HydrophobicContact CH2-CD1 3.71Å; W526-I579 HydrophobicContact CZ2-CD1 3.83Å; Y545-I579 HydrophobicContact CE1-CD1 3.91Å; Y545-I579 HydrophobicContact CE1-CG1 4.17Å; F548-I579 HydrophobicContact CE1-CD1 4.24Å; F548-I579 HydrophobicContact CE1-CG1 4.42Å; F548-I579 HydrophobicContact CZ-CD1 3.96Å; I564-I579 HydrophobicContact CG2-CD1 4.37Å; I564-I579 HydrophobicContact CG2-CG1 4.31Å; I564-I579 HydrophobicContact CG2-CG2 3.8Å; R565-I579 CarbonylContact O-C 3.57Å; R565-I579 WeakPolarHBondContact O-CA 3.33Å; R565-I579 WeakPolarHBondContact O-CG2 3.03Å; E577-I579 VanDerWaalsContact C-N 3.33Å; I579-F582 HydrophobicContact CG2-CD1 4.18Å |
| 580 | S | 81.1 | Confident | 77.4 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -12.3 | 177.6 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | Q490 R565 | Q490-S580 VanDerWaalsContact O-O 3.11Å; R565-S580 VanDerWaalsContact CB-OG 3.29Å; R565-S580 WeakPolarHBondContact CB-OG 3.48Å; R565-S580 PolarHBondContact O-N 3.41Å; R565-S580 PolarHBondContact O-OG 3.13Å |
| 581 | G | 87.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | 162.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I489 R565 | I489-G581 VanDerWaalsContact O-CA 3.27Å; I489-G581 WeakPolarHBondContact O-CA 3.4Å; R565-G581 WeakPolarHBondContact CA-O 3.24Å; R565-G581 WeakPolarHBondContact CB-O 3.3Å; R565-G581 PolarHBondContact N-O 2.8Å |
| 582 | F | 90.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 167.4 | 172.9 | 64.1 | -89.3 | 0 | 0 | 0 | 110.1 | I489 P492 F495 F504 L525 W526 E563 I564 I579 F584 | I489-F582 HydrophobicContact CB-CD1 4.17Å; I489-F582 HydrophobicContact CB-CD2 4.36Å; I489-F582 HydrophobicContact CB-CE1 3.85Å; I489-F582 HydrophobicContact CB-CE2 4.06Å; I489-F582 HydrophobicContact CB-CG 4.42Å; I489-F582 HydrophobicContact CB-CZ 3.79Å; I489-F582 HydrophobicContact CG1-CD2 4.28Å; I489-F582 HydrophobicContact CG1-CE1 4.25Å; I489-F582 HydrophobicContact CG1-CE2 3.66Å; I489-F582 HydrophobicContact CG1-CZ 3.64Å; I489-F582 HydrophobicContact CG2-CD1 4.41Å; I489-F582 HydrophobicContact CG2-CE1 3.8Å; I489-F582 HydrophobicContact CG2-CZ 3.97Å; I489-F582 PolarHBondContact N-O 3.08Å; I489-F582 PolarHBondContact O-N 2.98Å; I489-F582 VanDerWaalsContact O-N 3.07Å; P492-F582 HydrophobicContact CB-CD1 3.91Å; P492-F582 HydrophobicContact CB-CE1 3.67Å; F495-F582 HydrophobicContact CE2-CE1 4.2Å; F495-F582 AromaticContact CZ-CE1 3.83Å; F495-F582 HydrophobicContact CZ-CE1 3.83Å; F495-F582 HydrophobicContact CZ-CZ 4.03Å; F504-F582 HydrophobicContact CE1-CZ 4.12Å; F504-F582 HydrophobicContact CE2-CE2 4.29Å; F504-F582 AromaticContact CE2-CZ 3.78Å; F504-F582 HydrophobicContact CE2-CZ 3.78Å; F504-F582 AromaticContact CZ-CE2 3.77Å; F504-F582 HydrophobicContact CZ-CE2 3.77Å; F504-F582 AromaticContact CZ-CZ 3.48Å; F504-F582 HydrophobicContact CZ-CZ 3.48Å; F504-F582 VanDerWaalsContact CZ-CZ 3.48Å; L525-F582 HydrophobicContact CD1-CE2 3.97Å; W526-F582 AromaticContact CD1-CD2 3.9Å; W526-F582 HydrophobicContact CZ2-CD1 4.37Å; W526-F582 AromaticContact NE1-CD1 4Å; W526-F582 AromaticContact NE1-CD2 3.2Å; W526-F582 AromaticContact NE1-CE2 3.71Å; W526-F582 AromaticContact NE1-CG 3.36Å; E563-F582 CarbonylContact O-C 3.47Å; E563-F582 WeakPolarHBondContact O-CA 3.34Å; E563-F582 WeakPolarHBondContact O-CB 3.43Å; I564-F582 HydrophobicContact CB-CB 4.35Å; I564-F582 HydrophobicContact CG1-CB 4.12Å; I564-F582 HydrophobicContact CG2-CB 4.31Å; I579-F582 HydrophobicContact CG2-CD1 4.18Å; F582-F584 HydrophobicContact CD2-CD1 4.49Å; F582-F584 HydrophobicContact CE2-CD1 4.01Å |
| 583 | Y | 89.9 | Confident | 79.7 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 161.9 | 162.9 | 72.1 | -86.8 | 0 | 0 | 0 | 110.7 | F70 W71 H486 V487 F488 A562 E563 T585 | F70-Y583 AromaticContact CE1-CD1 3.97Å; F70-Y583 HydrophobicContact CE1-CD1 3.97Å; F70-Y583 HydrophobicContact CZ-CD1 4.28Å; W71-Y583 HydrophobicContact CH2-CD1 4.02Å; W71-Y583 AromaticContact CH2-CE1 3.24Å; W71-Y583 HydrophobicContact CH2-CE1 3.24Å; W71-Y583 AromaticContact CH2-CZ 3.75Å; W71-Y583 HydrophobicContact CZ2-CD1 4.2Å; W71-Y583 AromaticContact CZ2-CE1 3.82Å; W71-Y583 HydrophobicContact CZ2-CE1 3.82Å; W71-Y583 HydrophobicContact CZ3-CE1 4.09Å; H486-Y583 HydrophobicContact CB-CD2 4.41Å; H486-Y583 AromaticContact ND1-CD2 3.61Å; H486-Y583 AromaticContact ND1-CE2 3.55Å; V487-Y583 CarbonylContact O-C 3.55Å; V487-Y583 WeakPolarHBondContact O-CA 3.16Å; V487-Y583 WeakPolarHBondContact O-CB 3.34Å; F488-Y583 HydrophobicContact CD1-CD1 4.38Å; F488-Y583 HydrophobicContact CD1-CG 4.28Å; F488-Y583 AromaticContact CE1-CD1 3.94Å; F488-Y583 HydrophobicContact CE1-CD1 3.94Å; F488-Y583 HydrophobicContact CE1-CG 4Å; F488-Y583 HydrophobicContact CZ-CG 4.44Å; A562-Y583 WeakPolarHBondContact O-CE1 3.45Å; A562-Y583 PolarHBondContact O-OH 3.25Å; E563-Y583 VanDerWaalsContact CA-CE1 3.49Å; E563-Y583 HydrophobicContact CB-CE1 4.33Å; E563-Y583 HydrophobicContact CG-CE1 4.44Å; E563-Y583 HydrophobicContact CG-CE2 4.03Å; E563-Y583 PolarHBondContact O-N 2.89Å; Y583-T585 HydrophobicContact CE2-CG2 4.44Å |
| 584 | F | 90.4 | Very high | 80.7 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 164.4 | 169.7 | 64.7 | -90 | 0 | 0 | 0 | 109 | V487 I489 F504 F507 V508 L511 T523 N524 L525 F582 | V487-F584 HydrophobicContact CB-CD1 3.98Å; V487-F584 HydrophobicContact CB-CD2 4.14Å; V487-F584 HydrophobicContact CB-CE1 3.59Å; V487-F584 HydrophobicContact CB-CE2 3.76Å; V487-F584 HydrophobicContact CB-CG 4.26Å; V487-F584 HydrophobicContact CB-CZ 3.48Å; V487-F584 VanDerWaalsContact CB-CZ 3.48Å; V487-F584 HydrophobicContact CG1-CD1 4.3Å; V487-F584 HydrophobicContact CG1-CE1 3.49Å; V487-F584 VanDerWaalsContact CG1-CE1 3.49Å; V487-F584 HydrophobicContact CG1-CE2 4.24Å; V487-F584 HydrophobicContact CG1-CZ 3.46Å; V487-F584 VanDerWaalsContact CG1-CZ 3.46Å; V487-F584 HydrophobicContact CG2-CD2 4.35Å; V487-F584 HydrophobicContact CG2-CE1 4.48Å; V487-F584 HydrophobicContact CG2-CE2 3.79Å; V487-F584 HydrophobicContact CG2-CZ 3.88Å; V487-F584 PolarHBondContact N-O 3.44Å; V487-F584 PolarHBondContact O-N 2.99Å; I489-F584 HydrophobicContact CD1-CE1 4.32Å; I489-F584 HydrophobicContact CG1-CD1 4.5Å; I489-F584 HydrophobicContact CG1-CE1 4.19Å; F504-F584 HydrophobicContact CE2-CE1 4.44Å; F504-F584 HydrophobicContact CZ-CE1 4.25Å; F507-F584 HydrophobicContact CE1-CE1 4.32Å; F507-F584 HydrophobicContact CE1-CZ 4.12Å; V508-F584 HydrophobicContact CG2-CE1 4.41Å; V508-F584 HydrophobicContact CG2-CZ 4.01Å; L511-F584 HydrophobicContact CD1-CZ 4.31Å; T523-F584 HydrophobicContact CG2-CD2 3.74Å; T523-F584 HydrophobicContact CG2-CE2 3.96Å; N524-F584 WeakPolarHBondContact O-CB 3.48Å; L525-F584 HydrophobicContact CB-CB 4.14Å; L525-F584 HydrophobicContact CB-CG 4.46Å; L525-F584 HydrophobicContact CD1-CB 3.67Å; L525-F584 HydrophobicContact CD1-CD1 3.86Å; L525-F584 HydrophobicContact CD1-CG 3.84Å; F582-F584 HydrophobicContact CD2-CD1 4.49Å; F582-F584 HydrophobicContact CE2-CD1 4.01Å |
| 585 | T | 88.2 | Confident | 81.8 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.3 | 178 | 66.1 | 0 | 0 | 0 | 0 | 112 | E484 L485 H486 T523 N524 Y583 | E484-T585 HydrophobicContact CG-CG2 4.08Å; E484-T585 WeakPolarHBondContact OE1-CB 3.2Å; E484-T585 PolarHBondContact OE1-OG1 3.08Å; L485-T585 VanDerWaalsContact O-CA 3.23Å; L485-T585 WeakPolarHBondContact O-CA 3.34Å; H486-T585 WeakPolarHBondContact ND1-CG2 3.42Å; T523-T585 CarbonylContact C-O 3.56Å; T523-T585 VanDerWaalsContact CA-O 3.25Å; T523-T585 WeakPolarHBondContact CA-O 3.37Å; N524-T585 PolarHBondContact N-O 3.5Å; N524-T585 PolarHBondContact O-N 3.22Å; Y583-T585 HydrophobicContact CE2-CG2 4.44Å |
| 586 | T | 89.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 148.3 | 174.4 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | L485 V487 T523 F588 | L485-T586 PolarHBondContact N-O 2.87Å; L485-T586 PolarHBondContact O-N 3.24Å; V487-T586 HydrophobicContact CG2-CG2 3.85Å; T523-T586 PolarHBondContact OG1-OG1 3.04Å; T523-T586 VanDerWaalsContact OG1-OG1 3.12Å; T586-F588 HydrophobicContact CG2-CD2 4.11Å; T586-F588 HydrophobicContact CG2-CE2 3.66Å |
| 587 | N | 88.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.6 | -175.8 | -68.9 | -57.8 | 0 | 0 | 0 | 112 | F137 T483 E484 S517 G518 T522 | F137-N587 WeakPolarHBondContact CB-ND2 3.47Å; F137-N587 VanDerWaalsContact CD1-CG 3.41Å; F137-N587 WeakPolarHBondContact CD1-ND2 3.29Å; F137-N587 VanDerWaalsContact CD1-OD1 3.29Å; F137-N587 WeakPolarHBondContact CD1-OD1 3.45Å; F137-N587 WeakPolarHBondContact CD2-ND2 3.31Å; F137-N587 HydrophobicContact CE1-CB 4.4Å; F137-N587 WeakPolarHBondContact CG-ND2 3.46Å; T483-N587 WeakPolarHBondContact O-CA 3.2Å; E484-N587 WeakPolarHBondContact CA-OD1 3.35Å; E484-N587 WeakPolarHBondContact CB-OD1 3.22Å; E484-N587 PolarHBondContact N-OD1 2.83Å; S517-N587 CarbonylContact C-O 3.49Å; G518-N587 PolarHBondContact N-O 2.74Å; T522-N587 WeakPolarHBondContact CB-ND2 3.48Å; T522-N587 HydrophobicContact CG2-CB 4.12Å |
| 588 | F | 89.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.7 | 173.5 | -82.2 | -106.1 | 0 | 0 | 0 | 110.5 | T482 T483 L485 T514 Y516 T586 W597 I600 W604 | T482-F588 WeakPolarHBondContact CA-O 3.13Å; T483-F588 PolarHBondContact N-O 2.87Å; T483-F588 PolarHBondContact O-N 2.94Å; L485-F588 HydrophobicContact CD1-CB 3.73Å; L485-F588 HydrophobicContact CD1-CD2 3.56Å; L485-F588 HydrophobicContact CD1-CE2 4.39Å; L485-F588 HydrophobicContact CD1-CG 3.78Å; T514-F588 WeakPolarHBondContact OG1-CE1 3.4Å; Y516-F588 CarbonylContact O-C 3.56Å; Y516-F588 VanDerWaalsContact O-CA 3.25Å; Y516-F588 WeakPolarHBondContact O-CA 3.04Å; T586-F588 HydrophobicContact CG2-CD2 4.11Å; T586-F588 HydrophobicContact CG2-CE2 3.66Å; F588-W597 HydrophobicContact CB-CH2 3.82Å; F588-W597 HydrophobicContact CB-CZ3 3.98Å; F588-I600 HydrophobicContact CD1-CG2 4.12Å; F588-W604 HydrophobicContact CB-CZ2 4.19Å; F588-W604 AromaticContact CD1-CZ2 3.87Å; F588-W604 HydrophobicContact CD1-CZ2 3.87Å; F588-W604 AromaticContact CD1-NE1 3.58Å; F588-W604 HydrophobicContact CD2-CZ2 4.23Å; F588-W604 HydrophobicContact CE1-CZ2 4.31Å; F588-W604 AromaticContact CE1-NE1 3.12Å; F588-W604 AromaticContact CE2-NE1 3.87Å; F588-W604 AromaticContact CG-CZ2 3.83Å; F588-W604 HydrophobicContact CG-CZ2 3.83Å; F588-W604 AromaticContact CZ-NE1 3.28Å; F588-W604 VanDerWaalsContact CZ-NE1 3.28Å |
| 589 | H | 87.5 | Confident | 86.2 | Confident | 75 Ų | 75 | 37.6 Ų | 37.6 | 35% | 0.347 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 149.4 | -178.5 | 68.8 | -76.2 | 0 | 0 | 0 | 111.8 | K481 Y516 S517 | K481-H589 CarbonylContact O-C 3.43Å; K481-H589 WeakPolarHBondContact O-CA 3.28Å; K481-H589 WeakPolarHBondContact O-CB 3.44Å; Y516-H589 PolarHBondContact O-N 2.81Å; Y516-H589 PolarHBondContact O-ND1 3.42Å; S517-H589 PolarHBondContact O-CE1 3.05Å |
| 590 | T | 87.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | trans | -144.5 | 135.3 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 111 | L480 K481 E592 G593 G596 W597 I600 | L480-T590 VanDerWaalsContact O-CG2 3.31Å; L480-T590 WeakPolarHBondContact O-CG2 3.42Å; K481-T590 WeakPolarHBondContact CA-O 3.45Å; K481-T590 PolarHBondContact O-N 3.48Å; T590-E592 VanDerWaalsContact C-N 3.33Å; T590-E592 PolarHBondContact OG1-N 3.17Å; T590-E592 VanDerWaalsContact OG1-N 3.08Å; T590-G593 WeakPolarHBondContact CG2-O 3.19Å; T590-G596 WeakPolarHBondContact OG1-CA 3.43Å; T590-W597 HydrophobicContact CG2-CD2 4.2Å; T590-W597 HydrophobicContact CG2-CG 4.35Å; T590-W597 HydrophobicContact CG2-CZ2 4.01Å; T590-I600 HydrophobicContact CG2-CD1 4.34Å | ||
| 591 | K | 83.4 | Confident | 87.1 | Confident | 203 Ų | 203 | 35.8 Ų | 35.8 | 88% | 0.883 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -80.6 | -17.7 | 172.7 | -65.5 | -177 | -179.9 | 177.6 | 0 | 112.6 | ||
| 592 | E | 80 | Confident | 87.3 | Confident | 90 Ų | 90 | 40.2 Ų | 40.2 | 42% | 0.421 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -93.9 | 2.2 | -173.6 | -59.6 | -178.3 | 169.2 | 0 | 0 | 113.6 | T590 S594 R599 | T590-E592 VanDerWaalsContact C-N 3.33Å; T590-E592 PolarHBondContact OG1-N 3.17Å; T590-E592 VanDerWaalsContact OG1-N 3.08Å; E592-S594 PolarHBondContact O-N 3.02Å; E592-R599 VanDerWaalsContact CD-CZ 3.47Å; E592-R599 VanDerWaalsContact CD-NH1 3.28Å; E592-R599 IonicContact OE1-CZ 3.31Å; E592-R599 IonicContact OE1-NH1 3.83Å; E592-R599 PolarHBondContact OE1-NH1 3.1Å; E592-R599 IonicContact OE1-NH2 3Å; E592-R599 PolarHBondContact OE1-NH2 3.18Å; E592-R599 IonicContact OE2-CZ 3.5Å; E592-R599 IonicContact OE2-NE 3.78Å; E592-R599 IonicContact OE2-NH1 2.62Å; E592-R599 PolarHBondContact OE2-NH1 3.33Å; E592-R599 VanDerWaalsContact OE2-NH1 3.08Å; E592-R599 IonicContact OE2-NH2 2.68Å; E592-R599 PolarHBondContact OE2-NH2 2.97Å |
| 593 | G | 79.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -133.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T590 K595 G596 W597 | T590-G593 WeakPolarHBondContact CG2-O 3.19Å; G593-K595 VanDerWaalsContact C-N 3.29Å; G593-K595 PolarHBondContact O-N 3.46Å; G593-G596 PolarHBondContact O-N 3.15Å; G593-W597 PolarHBondContact O-N 3.48Å |
| 594 | S | 80.3 | Confident | 87.5 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 15% | 0.147 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.7 | -37.9 | -175.4 | -43.9 | 0 | 0 | 0 | 0 | 114.3 | E592 G596 W597 V598 | E592-S594 PolarHBondContact O-N 3.02Å; S594-G596 VanDerWaalsContact C-N 3.3Å; S594-G596 PolarHBondContact O-N 3.02Å; S594-W597 PolarHBondContact O-N 3.11Å; S594-V598 PolarHBondContact O-N 3.02Å |
| 595 | K | 83.4 | Confident | 87.6 | Confident | 143 Ų | 143 | 43.6 Ų | 43.6 | 62% | 0.622 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -65.4 | -34.3 | 177.9 | -71.1 | -173.7 | 177.9 | -176.3 | 0 | 112.7 | G593 W597 V598 | G593-K595 VanDerWaalsContact C-N 3.29Å; G593-K595 PolarHBondContact O-N 3.46Å; K595-W597 VanDerWaalsContact C-N 3.35Å; K595-V598 PolarHBondContact O-N 3.39Å |
| 596 | G | 86.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69 | -37 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T590 G593 S594 V598 R599 I600 | T590-G596 WeakPolarHBondContact OG1-CA 3.43Å; G593-G596 PolarHBondContact O-N 3.15Å; S594-G596 VanDerWaalsContact C-N 3.3Å; S594-G596 PolarHBondContact O-N 3.02Å; G596-V598 VanDerWaalsContact C-N 3.3Å; G596-V598 PolarHBondContact O-N 2.98Å; G596-R599 PolarHBondContact O-N 3.39Å; G596-R599 VanDerWaalsContact O-N 3.15Å; G596-I600 WeakPolarHBondContact O-CB 3.41Å; G596-I600 WeakPolarHBondContact O-CG1 3.47Å; G596-I600 PolarHBondContact O-N 3.25Å |
| 597 | W | 88.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -35.5 | 176 | -70.5 | 114.8 | 0 | 0 | 0 | 113.1 | L480 T483 L485 F588 T590 G593 S594 K595 R599 I600 S601 W604 Q623 | L480-W597 PolarHBondContact O-NE1 3.11Å; T483-W597 HydrophobicContact CG2-CH2 3.35Å; T483-W597 HydrophobicContact CG2-CZ2 3.65Å; T483-W597 HydrophobicContact CG2-CZ3 4.2Å; L485-W597 HydrophobicContact CD1-CZ3 4.31Å; F588-W597 HydrophobicContact CB-CH2 3.82Å; F588-W597 HydrophobicContact CB-CZ3 3.98Å; T590-W597 HydrophobicContact CG2-CD2 4.2Å; T590-W597 HydrophobicContact CG2-CG 4.35Å; T590-W597 HydrophobicContact CG2-CZ2 4.01Å; G593-W597 PolarHBondContact O-N 3.48Å; S594-W597 PolarHBondContact O-N 3.11Å; K595-W597 VanDerWaalsContact C-N 3.35Å; W597-R599 PolarHBondContact O-N 3.1Å; W597-I600 HydrophobicContact CD2-CD1 4.4Å; W597-I600 HydrophobicContact CE3-CB 4.12Å; W597-I600 HydrophobicContact CE3-CD1 3.88Å; W597-I600 HydrophobicContact CE3-CG2 3.9Å; W597-I600 HydrophobicContact CZ3-CD1 3.94Å; W597-I600 HydrophobicContact CZ3-CG2 3.9Å; W597-I600 PolarHBondContact O-N 2.68Å; W597-S601 WeakPolarHBondContact O-CB 3.23Å; W597-S601 PolarHBondContact O-N 3.46Å; W597-S601 PolarHBondContact O-OG 3.08Å; W597-S601 VanDerWaalsContact O-OG 3.08Å; W597-W604 AromaticContact CE3-CH2 3.73Å; W597-W604 HydrophobicContact CE3-CH2 3.73Å; W597-W604 HydrophobicContact CE3-CZ2 4.3Å; W597-W604 AromaticContact CZ3-CH2 3.44Å; W597-W604 HydrophobicContact CZ3-CH2 3.44Å; W597-W604 VanDerWaalsContact CZ3-CH2 3.44Å; W597-W604 AromaticContact CZ3-CZ2 3.73Å; W597-W604 HydrophobicContact CZ3-CZ2 3.73Å; W597-Q623 HydrophobicContact CD2-CB 3.82Å; W597-Q623 HydrophobicContact CD2-CG 3.47Å; W597-Q623 VanDerWaalsContact CD2-CG 3.47Å; W597-Q623 HydrophobicContact CE3-CB 3.84Å; W597-Q623 HydrophobicContact CE3-CG 3.74Å; W597-Q623 HydrophobicContact CG-CB 4.12Å; W597-Q623 HydrophobicContact CG-CG 4Å; W597-Q623 HydrophobicContact CH2-CG 4.16Å; W597-Q623 HydrophobicContact CZ2-CG 3.88Å; W597-Q623 HydrophobicContact CZ3-CB 4.47Å; W597-Q623 HydrophobicContact CZ3-CG 4.08Å |
| 598 | V | 88.6 | Confident | 88.3 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56 | -50.5 | 172 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | S594 K595 G596 I600 S601 H602 A627 L630 | S594-V598 PolarHBondContact O-N 3.02Å; K595-V598 PolarHBondContact O-N 3.39Å; G596-V598 VanDerWaalsContact C-N 3.3Å; G596-V598 PolarHBondContact O-N 2.98Å; V598-I600 VanDerWaalsContact C-N 3.34Å; V598-I600 PolarHBondContact O-N 2.99Å; V598-S601 PolarHBondContact O-N 3.01Å; V598-H602 PolarHBondContact O-CD2 3.42Å; V598-H602 PolarHBondContact O-N 2.85Å; V598-H602 VanDerWaalsContact O-N 3.12Å; V598-A627 HydrophobicContact CG2-CB 4.37Å; V598-L630 HydrophobicContact CG2-CB 3.84Å; V598-L630 HydrophobicContact CG2-CD1 4.01Å |
| 599 | R | 89.9 | Confident | 88.5 | Confident | 126 Ų | 126 | 58 Ų | 58 | 48% | 0.475 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 179.4 | -58.6 | -175.3 | -157.4 | 154.2 | 8 | 112 | E592 G596 W597 H602 L603 | E592-R599 VanDerWaalsContact CD-CZ 3.47Å; E592-R599 VanDerWaalsContact CD-NH1 3.28Å; E592-R599 IonicContact OE1-CZ 3.31Å; E592-R599 IonicContact OE1-NH1 3.83Å; E592-R599 PolarHBondContact OE1-NH1 3.1Å; E592-R599 IonicContact OE1-NH2 3Å; E592-R599 PolarHBondContact OE1-NH2 3.18Å; E592-R599 IonicContact OE2-CZ 3.5Å; E592-R599 IonicContact OE2-NE 3.78Å; E592-R599 IonicContact OE2-NH1 2.62Å; E592-R599 PolarHBondContact OE2-NH1 3.33Å; E592-R599 VanDerWaalsContact OE2-NH1 3.08Å; E592-R599 IonicContact OE2-NH2 2.68Å; E592-R599 PolarHBondContact OE2-NH2 2.97Å; G596-R599 PolarHBondContact O-N 3.39Å; G596-R599 VanDerWaalsContact O-N 3.15Å; W597-R599 PolarHBondContact O-N 3.1Å; R599-H602 PolarHBondContact O-N 2.92Å; R599-L603 WeakPolarHBondContact O-CB 3.11Å; R599-L603 PolarHBondContact O-N 3.28Å |
| 600 | I | 91.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | -179.6 | -71 | 168.5 | 0 | 0 | 0 | 110.5 | Y516 F588 T590 G596 W597 V598 H602 L603 W604 | Y516-I600 HydrophobicContact CD1-CD1 3.74Å; Y516-I600 HydrophobicContact CD1-CG1 3.85Å; Y516-I600 HydrophobicContact CD2-CD1 4.26Å; Y516-I600 HydrophobicContact CD2-CG1 3.53Å; Y516-I600 HydrophobicContact CE1-CD1 4.34Å; Y516-I600 HydrophobicContact CE1-CG1 4.2Å; Y516-I600 HydrophobicContact CE2-CG1 3.9Å; Y516-I600 HydrophobicContact CG-CD1 3.69Å; Y516-I600 HydrophobicContact CG-CG1 3.49Å; Y516-I600 VanDerWaalsContact CG-CG1 3.49Å; F588-I600 HydrophobicContact CD1-CG2 4.12Å; T590-I600 HydrophobicContact CG2-CD1 4.34Å; G596-I600 WeakPolarHBondContact O-CB 3.41Å; G596-I600 WeakPolarHBondContact O-CG1 3.47Å; G596-I600 PolarHBondContact O-N 3.25Å; W597-I600 HydrophobicContact CD2-CD1 4.4Å; W597-I600 HydrophobicContact CE3-CB 4.12Å; W597-I600 HydrophobicContact CE3-CD1 3.88Å; W597-I600 HydrophobicContact CE3-CG2 3.9Å; W597-I600 HydrophobicContact CZ3-CD1 3.94Å; W597-I600 HydrophobicContact CZ3-CG2 3.9Å; W597-I600 PolarHBondContact O-N 2.68Å; V598-I600 VanDerWaalsContact C-N 3.34Å; V598-I600 PolarHBondContact O-N 2.99Å; I600-H602 PolarHBondContact O-N 2.97Å; I600-L603 WeakPolarHBondContact O-CB 3.32Å; I600-L603 PolarHBondContact O-N 2.84Å; I600-L603 VanDerWaalsContact O-N 3.17Å; I600-W604 HydrophobicContact CB-CZ2 4.37Å; I600-W604 HydrophobicContact CG2-CD2 3.77Å; I600-W604 HydrophobicContact CG2-CE3 4.26Å; I600-W604 HydrophobicContact CG2-CG 4.47Å; I600-W604 HydrophobicContact CG2-CH2 3.5Å; I600-W604 VanDerWaalsContact CG2-CH2 3.5Å; I600-W604 HydrophobicContact CG2-CZ2 2.93Å; I600-W604 HydrophobicContact CG2-CZ3 4.14Å; I600-W604 VanDerWaalsContact O-CG 3.28Å; I600-W604 PolarHBondContact O-N 3.44Å |
| 601 | S | 90.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.7 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | W597 V598 L603 W604 R605 A627 | W597-S601 WeakPolarHBondContact O-CB 3.23Å; W597-S601 PolarHBondContact O-N 3.46Å; W597-S601 PolarHBondContact O-OG 3.08Å; W597-S601 VanDerWaalsContact O-OG 3.08Å; V598-S601 PolarHBondContact O-N 3.01Å; S601-L603 VanDerWaalsContact C-N 3.34Å; S601-L603 PolarHBondContact O-N 3.44Å; S601-W604 PolarHBondContact O-N 3.07Å; S601-R605 WeakPolarHBondContact O-CG 3.5Å; S601-R605 PolarHBondContact O-N 3.26Å; S601-A627 VanDerWaalsContact OG-CB 3.32Å; S601-A627 WeakPolarHBondContact OG-CB 3.35Å |
| 602 | H | 90.3 | Very high | 89.8 | Confident | 93 Ų | 93 | 51.7 Ų | 51.7 | 43% | 0.431 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 172.3 | -75.2 | -60.8 | 0 | 0 | 0 | 112.3 | V598 R599 I600 R605 Q606 | V598-H602 PolarHBondContact O-CD2 3.42Å; V598-H602 PolarHBondContact O-N 2.85Å; V598-H602 VanDerWaalsContact O-N 3.12Å; R599-H602 PolarHBondContact O-N 2.92Å; I600-H602 PolarHBondContact O-N 2.97Å; H602-R605 PolarHBondContact O-N 2.76Å; H602-Q606 WeakPolarHBondContact O-CB 3.39Å; H602-Q606 PolarHBondContact O-N 3.39Å |
| 603 | L | 92.6 | Very high | 90.4 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 177 | 177.5 | 64.3 | 0 | 0 | 0 | 111.5 | T514 Y516 R599 I600 S601 R605 Q606 I607 | T514-L603 HydrophobicContact CG2-CD2 3.78Å; T514-L603 HydrophobicContact CG2-CG 4.48Å; Y516-L603 HydrophobicContact CD2-CD2 4.11Å; Y516-L603 HydrophobicContact CE2-CD2 4.33Å; R599-L603 WeakPolarHBondContact O-CB 3.11Å; R599-L603 PolarHBondContact O-N 3.28Å; I600-L603 WeakPolarHBondContact O-CB 3.32Å; I600-L603 PolarHBondContact O-N 2.84Å; I600-L603 VanDerWaalsContact O-N 3.17Å; S601-L603 VanDerWaalsContact C-N 3.34Å; S601-L603 PolarHBondContact O-N 3.44Å; L603-R605 PolarHBondContact O-N 3.22Å; L603-Q606 PolarHBondContact O-N 2.91Å; L603-I607 HydrophobicContact CD1-CD1 4.01Å; L603-I607 HydrophobicContact CD1-CG1 4.32Å; L603-I607 HydrophobicContact CG-CD1 3.87Å; L603-I607 VanDerWaalsContact O-CG1 3.29Å; L603-I607 WeakPolarHBondContact O-CG1 2.98Å; L603-I607 PolarHBondContact O-N 3.46Å |
| 604 | W | 91.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 177.7 | -64.4 | -27.6 | 0 | 0 | 0 | 112.2 | L485 F588 W597 I600 S601 Q606 I607 S608 V618 | L485-W604 HydrophobicContact CD1-CH2 3.08Å; L485-W604 HydrophobicContact CD1-CZ2 2.93Å; L485-W604 HydrophobicContact CD1-CZ3 4.11Å; L485-W604 HydrophobicContact CD2-CH2 3.88Å; L485-W604 HydrophobicContact CD2-CZ3 4.49Å; L485-W604 HydrophobicContact CG-CH2 4.12Å; L485-W604 HydrophobicContact CG-CZ2 4.3Å; F588-W604 HydrophobicContact CB-CZ2 4.19Å; F588-W604 AromaticContact CD1-CZ2 3.87Å; F588-W604 HydrophobicContact CD1-CZ2 3.87Å; F588-W604 AromaticContact CD1-NE1 3.58Å; F588-W604 HydrophobicContact CD2-CZ2 4.23Å; F588-W604 HydrophobicContact CE1-CZ2 4.31Å; F588-W604 AromaticContact CE1-NE1 3.12Å; F588-W604 AromaticContact CE2-NE1 3.87Å; F588-W604 AromaticContact CG-CZ2 3.83Å; F588-W604 HydrophobicContact CG-CZ2 3.83Å; F588-W604 AromaticContact CZ-NE1 3.28Å; F588-W604 VanDerWaalsContact CZ-NE1 3.28Å; W597-W604 AromaticContact CE3-CH2 3.73Å; W597-W604 HydrophobicContact CE3-CH2 3.73Å; W597-W604 HydrophobicContact CE3-CZ2 4.3Å; W597-W604 AromaticContact CZ3-CH2 3.44Å; W597-W604 HydrophobicContact CZ3-CH2 3.44Å; W597-W604 VanDerWaalsContact CZ3-CH2 3.44Å; W597-W604 AromaticContact CZ3-CZ2 3.73Å; W597-W604 HydrophobicContact CZ3-CZ2 3.73Å; I600-W604 HydrophobicContact CB-CZ2 4.37Å; I600-W604 HydrophobicContact CG2-CD2 3.77Å; I600-W604 HydrophobicContact CG2-CE3 4.26Å; I600-W604 HydrophobicContact CG2-CG 4.47Å; I600-W604 HydrophobicContact CG2-CH2 3.5Å; I600-W604 VanDerWaalsContact CG2-CH2 3.5Å; I600-W604 HydrophobicContact CG2-CZ2 2.93Å; I600-W604 HydrophobicContact CG2-CZ3 4.14Å; I600-W604 VanDerWaalsContact O-CG 3.28Å; I600-W604 PolarHBondContact O-N 3.44Å; S601-W604 PolarHBondContact O-N 3.07Å; W604-Q606 VanDerWaalsContact C-N 3.28Å; W604-Q606 PolarHBondContact O-N 2.99Å; W604-I607 PolarHBondContact O-N 2.97Å; W604-I607 VanDerWaalsContact O-N 3.15Å; W604-S608 WeakPolarHBondContact O-CB 3.3Å; W604-S608 PolarHBondContact O-N 3.49Å; W604-S608 PolarHBondContact O-OG 3.46Å; W604-V618 HydrophobicContact CB-CB 3.94Å; W604-V618 HydrophobicContact CB-CG1 4.34Å; W604-V618 HydrophobicContact CB-CG2 4.04Å; W604-V618 HydrophobicContact CD2-CB 4.02Å; W604-V618 HydrophobicContact CD2-CG1 3.48Å; W604-V618 VanDerWaalsContact CD2-CG1 3.48Å; W604-V618 HydrophobicContact CE3-CB 4.15Å; W604-V618 HydrophobicContact CE3-CG1 3.69Å; W604-V618 HydrophobicContact CG-CB 3.96Å; W604-V618 HydrophobicContact CG-CG1 3.8Å; W604-V618 HydrophobicContact CG-CG2 4.18Å; W604-V618 HydrophobicContact CZ2-CG1 4.29Å; W604-V618 HydrophobicContact CZ3-CG1 4.21Å |
| 605 | R | 92.2 | Very high | 91.7 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 179 | -70.6 | 172.6 | -176.2 | 151.7 | 2.5 | 111.7 | P59 E63 S601 H602 L603 F609 D628 | P59-R605 VanDerWaalsContact CB-CZ 3.48Å; E63-R605 IonicContact OE1-CZ 3.49Å; E63-R605 IonicContact OE1-NE 3.94Å; E63-R605 PolarHBondContact OE1-NE 2.91Å; E63-R605 IonicContact OE1-NH2 2.87Å; E63-R605 PolarHBondContact OE1-NH2 2.94Å; E63-R605 IonicContact OE2-NH2 2.72Å; E63-R605 PolarHBondContact OE2-NH2 3.32Å; S601-R605 WeakPolarHBondContact O-CG 3.5Å; S601-R605 PolarHBondContact O-N 3.26Å; H602-R605 PolarHBondContact O-N 2.76Å; L603-R605 PolarHBondContact O-N 3.22Å; R605-F609 VanDerWaalsContact O-CB 3.31Å; R605-F609 WeakPolarHBondContact O-CB 3.45Å; R605-F609 PolarHBondContact O-N 2.66Å; R605-D628 IonicContact CZ-OD1 2.97Å; R605-D628 IonicContact CZ-OD2 3.7Å; R605-D628 IonicContact NH1-OD1 3.7Å; R605-D628 PolarHBondContact NH1-OD1 3.43Å; R605-D628 IonicContact NH1-OD2 2.66Å; R605-D628 VanDerWaalsContact NH2-CG 3.25Å; R605-D628 IonicContact NH2-OD1 2.74Å; R605-D628 PolarHBondContact NH2-OD1 3.39Å; R605-D628 IonicContact NH2-OD2 3.73Å; R605-D628 PolarHBondContact NH2-OD2 3.03Å |
| 606 | Q | 94.2 | Very high | 92.2 | Very high | 126 Ų | 126 | 48.1 Ų | 48.1 | 59% | 0.589 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.3 | -43 | 173.3 | -173.1 | -178.7 | -1.2 | 0 | 0 | 112.1 | H602 L603 W604 F609 N610 | H602-Q606 WeakPolarHBondContact O-CB 3.39Å; H602-Q606 PolarHBondContact O-N 3.39Å; L603-Q606 PolarHBondContact O-N 2.91Å; W604-Q606 VanDerWaalsContact C-N 3.28Å; W604-Q606 PolarHBondContact O-N 2.99Å; Q606-F609 PolarHBondContact O-N 3.33Å; Q606-N610 PolarHBondContact O-N 3.29Å; Q606-N610 PolarHBondContact O-ND2 2.81Å |
| 607 | I | 94.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -49.1 | 175.9 | -66.2 | 165.8 | 0 | 0 | 0 | 109.6 | F507 I510 L511 T514 L603 W604 F609 N610 F611 | F507-I607 HydrophobicContact CD2-CG2 3.89Å; F507-I607 HydrophobicContact CE2-CG2 3.86Å; I510-I607 HydrophobicContact CG2-CD1 4.02Å; I510-I607 HydrophobicContact CG2-CG1 4.07Å; I510-I607 HydrophobicContact CG2-CG2 4.03Å; L511-I607 HydrophobicContact CD2-CB 4.48Å; L511-I607 HydrophobicContact CD2-CD1 3.99Å; L511-I607 HydrophobicContact CD2-CG2 4.01Å; L511-I607 HydrophobicContact CG-CG2 4.27Å; T514-I607 HydrophobicContact CG2-CD1 3.84Å; L603-I607 HydrophobicContact CD1-CD1 4.01Å; L603-I607 HydrophobicContact CD1-CG1 4.32Å; L603-I607 HydrophobicContact CG-CD1 3.87Å; L603-I607 VanDerWaalsContact O-CG1 3.29Å; L603-I607 WeakPolarHBondContact O-CG1 2.98Å; L603-I607 PolarHBondContact O-N 3.46Å; W604-I607 PolarHBondContact O-N 2.97Å; W604-I607 VanDerWaalsContact O-N 3.15Å; I607-F609 VanDerWaalsContact C-N 3.28Å; I607-F609 PolarHBondContact O-N 3.48Å; I607-N610 WeakPolarHBondContact O-CB 3.34Å; I607-N610 PolarHBondContact O-N 3.08Å; I607-N610 VanDerWaalsContact O-N 3.08Å; I607-F611 HydrophobicContact CG2-CD2 4.35Å; I607-F611 WeakPolarHBondContact O-CD2 3.23Å; I607-F611 PolarHBondContact O-N 3.12Å |
| 608 | S | 93.2 | Very high | 92.5 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 12% | 0.119 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57 | -40.3 | 177.9 | -77.1 | 0 | 0 | 0 | 0 | 112.6 | W604 N610 F611 A612 P616 | W604-S608 WeakPolarHBondContact O-CB 3.3Å; W604-S608 PolarHBondContact O-N 3.49Å; W604-S608 PolarHBondContact O-OG 3.46Å; S608-N610 VanDerWaalsContact C-N 3.33Å; S608-N610 PolarHBondContact O-N 2.92Å; S608-F611 CarbonylContact O-C 3.3Å; S608-F611 VanDerWaalsContact O-C 3.3Å; S608-F611 PolarHBondContact O-N 3.43Å; S608-F611 VanDerWaalsContact O-N 3.16Å; S608-A612 PolarHBondContact O-N 2.92Å; S608-P616 VanDerWaalsContact CB-O 3.23Å; S608-P616 WeakPolarHBondContact CB-O 3.42Å; S608-P616 PolarHBondContact OG-O 2.8Å |
| 609 | F | 94.1 | Very high | 92.3 | Very high | 162 Ų | 162 | 49.7 Ų | 49.7 | 71% | 0.711 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.5 | -37.5 | 176.8 | -176.6 | -96.9 | 0 | 0 | 0 | 112.8 | R605 Q606 I607 F611 A612 | R605-F609 VanDerWaalsContact O-CB 3.31Å; R605-F609 WeakPolarHBondContact O-CB 3.45Å; R605-F609 PolarHBondContact O-N 2.66Å; Q606-F609 PolarHBondContact O-N 3.33Å; I607-F609 VanDerWaalsContact C-N 3.28Å; I607-F609 PolarHBondContact O-N 3.48Å; F609-F611 PolarHBondContact O-N 3.08Å; F609-A612 WeakPolarHBondContact O-CB 3.37Å; F609-A612 PolarHBondContact O-N 2.99Å |
| 610 | N | 95.2 | Very high | 91.8 | Very high | 89 Ų | 89 | 44 Ų | 44 | 48% | 0.476 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.5 | -15 | 177.7 | -68.5 | -20.1 | 0 | 0 | 0 | 113.9 | R503 Q606 I607 S608 | R503-N610 PolarHBondContact NH2-O 3.35Å; Q606-N610 PolarHBondContact O-N 3.29Å; Q606-N610 PolarHBondContact O-ND2 2.81Å; I607-N610 WeakPolarHBondContact O-CB 3.34Å; I607-N610 PolarHBondContact O-N 3.08Å; I607-N610 VanDerWaalsContact O-N 3.08Å; S608-N610 VanDerWaalsContact C-N 3.33Å; S608-N610 PolarHBondContact O-N 2.92Å |
| 611 | F | 95.8 | Very high | 91 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 33.4 | 179.4 | -67.9 | -85.2 | 0 | 0 | 0 | 111.2 | R503 E506 F507 I510 I607 S608 F609 E613 F614 P616 | R503-F611 HydrophobicContact CG-CD1 4.39Å; R503-F611 HydrophobicContact CG-CE1 4.34Å; R503-F611 VanDerWaalsContact CZ-CE1 3.4Å; R503-F611 WeakPolarHBondContact O-CE1 3.27Å; E506-F611 HydrophobicContact CB-CE1 4.43Å; E506-F611 HydrophobicContact CB-CZ 4.5Å; E506-F611 HydrophobicContact CG-CE1 4.46Å; E506-F611 HydrophobicContact CG-CZ 4.13Å; F507-F611 HydrophobicContact CB-CB 4.4Å; F507-F611 HydrophobicContact CB-CD1 3.68Å; F507-F611 HydrophobicContact CB-CD2 3.99Å; F507-F611 HydrophobicContact CB-CE1 3.79Å; F507-F611 HydrophobicContact CB-CE2 4.14Å; F507-F611 HydrophobicContact CB-CG 3.76Å; F507-F611 HydrophobicContact CB-CZ 4.04Å; F507-F611 HydrophobicContact CD2-CB 3.89Å; F507-F611 AromaticContact CD2-CD2 3.6Å; F507-F611 HydrophobicContact CD2-CD2 3.6Å; F507-F611 HydrophobicContact CD2-CE2 4.26Å; F507-F611 AromaticContact CD2-CG 3.77Å; F507-F611 HydrophobicContact CD2-CG 3.77Å; F507-F611 HydrophobicContact CG-CB 4.38Å; F507-F611 HydrophobicContact CG-CD2 4.27Å; F507-F611 HydrophobicContact CG-CG 4.14Å; I510-F611 HydrophobicContact CD1-CE2 3.7Å; I510-F611 HydrophobicContact CD1-CZ 3.65Å; I607-F611 HydrophobicContact CG2-CD2 4.35Å; I607-F611 WeakPolarHBondContact O-CD2 3.23Å; I607-F611 PolarHBondContact O-N 3.12Å; S608-F611 CarbonylContact O-C 3.3Å; S608-F611 VanDerWaalsContact O-C 3.3Å; S608-F611 PolarHBondContact O-N 3.43Å; S608-F611 VanDerWaalsContact O-N 3.16Å; F609-F611 PolarHBondContact O-N 3.08Å; F611-E613 VanDerWaalsContact CA-OE2 3.24Å; F611-E613 WeakPolarHBondContact CA-OE2 3.43Å; F611-E613 PolarHBondContact O-N 2.87Å; F611-F614 HydrophobicContact CB-CD2 4.27Å; F611-F614 HydrophobicContact CD1-CD2 4.47Å; F611-F614 HydrophobicContact CD1-CE2 4.25Å; F611-F614 PolarHBondContact O-N 2.8Å; F611-P616 HydrophobicContact CB-CG 4.29Å; F611-P616 WeakPolarHBondContact O-CD 3.27Å |
| 612 | A | 93.9 | Very high | 90.4 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -56.4 | -21.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S608 F609 F614 E615 | S608-A612 PolarHBondContact O-N 2.92Å; F609-A612 WeakPolarHBondContact O-CB 3.37Å; F609-A612 PolarHBondContact O-N 2.99Å; A612-F614 PolarHBondContact O-N 3.45Å; A612-E615 PolarHBondContact O-N 2.78Å |
| 613 | E | 93 | Very high | 90.1 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -57 | -26.2 | 173.6 | 61.8 | -93.2 | -143.7 | 0 | 0 | 114.2 | K491 R503 F611 | K491-E613 WeakPolarHBondContact CD-O 3.05Å; R503-E613 WeakPolarHBondContact CG-OE1 3.44Å; R503-E613 IonicContact CZ-OE1 2.59Å; R503-E613 IonicContact NE-OE1 2.96Å; R503-E613 PolarHBondContact NE-OE1 3.48Å; R503-E613 IonicContact NH2-OE1 3.61Å; F611-E613 VanDerWaalsContact CA-OE2 3.24Å; F611-E613 WeakPolarHBondContact CA-OE2 3.43Å; F611-E613 PolarHBondContact O-N 2.87Å |
| 614 | F | 93.2 | Very high | 89.5 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -100.4 | -3.7 | 177.7 | -54.2 | -53 | 0 | 0 | 0 | 113.6 | I489 K491 P493 R503 F504 F611 A612 P616 | I489-F614 HydrophobicContact CG2-CB 4.24Å; K491-F614 PolarHBondContact N-O 2.74Å; K491-F614 VanDerWaalsContact N-O 3.09Å; K491-F614 VanDerWaalsContact O-CA 3.29Å; K491-F614 WeakPolarHBondContact O-CA 3.25Å; P493-F614 HydrophobicContact CB-CD1 4.39Å; P493-F614 HydrophobicContact CB-CE1 3.75Å; P493-F614 HydrophobicContact CB-CZ 4.42Å; P493-F614 HydrophobicContact CG-CE1 4.41Å; R503-F614 HydrophobicContact CB-CE2 4.38Å; R503-F614 HydrophobicContact CB-CZ 4.07Å; R503-F614 HydrophobicContact CG-CE2 3.89Å; R503-F614 HydrophobicContact CG-CZ 3.91Å; F504-F614 HydrophobicContact CB-CE1 4.44Å; F504-F614 HydrophobicContact CB-CE2 3.98Å; F504-F614 HydrophobicContact CB-CZ 3.87Å; F504-F614 HydrophobicContact CD2-CD2 4.44Å; F611-F614 HydrophobicContact CB-CD2 4.27Å; F611-F614 HydrophobicContact CD1-CD2 4.47Å; F611-F614 HydrophobicContact CD1-CE2 4.25Å; F611-F614 PolarHBondContact O-N 2.8Å; A612-F614 PolarHBondContact O-N 3.45Å; F614-P616 VanDerWaalsContact C-CD 3.47Å |
| 615 | E | 92.7 | Very high | 89.1 | Confident | 100 Ų | 100 | 43.3 Ų | 43.3 | 47% | 0.467 | 22% | 0.22 | S | C | . | . | trans | 45 | 53 | -171.7 | -63.7 | 177.1 | -164 | 0 | 0 | 113.4 | Q490 A612 | Q490-E615 HydrophobicContact CB-CB 4.03Å; Q490-E615 PolarHBondContact NE2-O 3.45Å; A612-E615 PolarHBondContact O-N 2.78Å | ||
| 616 | P | 93.9 | Very high | 88.6 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.9 | -173.2 | 31.1 | -35.4 | 0 | 0 | 0 | 112.4 | F488 I489 F507 S608 F611 F614 | F488-P616 CarbonylContact O-C 3.56Å; F488-P616 WeakPolarHBondContact O-CA 3.25Å; I489-P616 HydrophobicContact CD1-CB 3.79Å; F507-P616 HydrophobicContact CE1-CB 4.1Å; F507-P616 HydrophobicContact CE2-CB 3.87Å; F507-P616 HydrophobicContact CE2-CG 3.94Å; F507-P616 HydrophobicContact CZ-CB 3.47Å; F507-P616 VanDerWaalsContact CZ-CB 3.47Å; F507-P616 HydrophobicContact CZ-CG 4.07Å; S608-P616 VanDerWaalsContact CB-O 3.23Å; S608-P616 WeakPolarHBondContact CB-O 3.42Å; S608-P616 PolarHBondContact OG-O 2.8Å; F611-P616 HydrophobicContact CB-CG 4.29Å; F611-P616 WeakPolarHBondContact O-CD 3.27Å; F614-P616 VanDerWaalsContact C-CD 3.47Å |
| 617 | I | 92.2 | Very high | 88.3 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 115.8 | 174.3 | -60.8 | 178.3 | 0 | 0 | 0 | 109.1 | E63 A66 V67 V487 F488 | E63-I617 HydrophobicContact CB-CG2 4.07Å; E63-I617 HydrophobicContact CG-CG2 4.01Å; A66-I617 HydrophobicContact CB-CD1 3.45Å; A66-I617 VanDerWaalsContact CB-CD1 3.45Å; V67-I617 HydrophobicContact CG2-CG2 4.46Å; V487-I617 CarbonylContact C-O 3.53Å; V487-I617 WeakPolarHBondContact CA-O 3.36Å; F488-I617 HydrophobicContact CB-CB 4.36Å; F488-I617 PolarHBondContact N-O 3.05Å; F488-I617 PolarHBondContact O-N 3.43Å |
| 618 | V | 90 | Very high | 87.9 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 110.1 | 169.8 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | L485 V487 L511 W604 | L485-V618 HydrophobicContact CD1-CG1 4.41Å; V487-V618 HydrophobicContact CG1-CG2 4.26Å; V487-V618 HydrophobicContact CG2-CG1 4.29Å; V487-V618 HydrophobicContact CG2-CG2 4.21Å; L511-V618 HydrophobicContact CD1-CG2 4.5Å; L511-V618 HydrophobicContact CD2-CG2 4.24Å; W604-V618 HydrophobicContact CB-CB 3.94Å; W604-V618 HydrophobicContact CB-CG1 4.34Å; W604-V618 HydrophobicContact CB-CG2 4.04Å; W604-V618 HydrophobicContact CD2-CB 4.02Å; W604-V618 HydrophobicContact CD2-CG1 3.48Å; W604-V618 VanDerWaalsContact CD2-CG1 3.48Å; W604-V618 HydrophobicContact CE3-CB 4.15Å; W604-V618 HydrophobicContact CE3-CG1 3.69Å; W604-V618 HydrophobicContact CG-CB 3.96Å; W604-V618 HydrophobicContact CG-CG1 3.8Å; W604-V618 HydrophobicContact CG-CG2 4.18Å; W604-V618 HydrophobicContact CZ2-CG1 4.29Å; W604-V618 HydrophobicContact CZ3-CG1 4.21Å |
| 619 | Y | 83.5 | Confident | 87.6 | Confident | 34 Ų | 34 | 34.5 Ų | 34.5 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.6 | -170.8 | -171.6 | -105.8 | 0 | 0 | 0 | 112 | F60 E63 T64 V67 H486 F488 A621 | F60-Y619 HydrophobicContact CD2-CE2 4.35Å; F60-Y619 AromaticContact CE2-CE2 3.93Å; F60-Y619 HydrophobicContact CE2-CE2 3.93Å; E63-Y619 HydrophobicContact CB-CD2 4.36Å; T64-Y619 PolarHBondContact OG1-OH 2.95Å; V67-Y619 HydrophobicContact CG1-CD1 4.24Å; V67-Y619 HydrophobicContact CG1-CE1 4.2Å; V67-Y619 HydrophobicContact CG2-CD1 4.16Å; V67-Y619 HydrophobicContact CG2-CD2 3.93Å; V67-Y619 HydrophobicContact CG2-CE2 4.4Å; V67-Y619 HydrophobicContact CG2-CG 3.8Å; H486-Y619 PolarHBondContact N-O 2.98Å; H486-Y619 VanDerWaalsContact N-O 3.09Å; H486-Y619 PolarHBondContact O-N 3.1Å; F488-Y619 HydrophobicContact CE2-CD1 4.2Å; F488-Y619 HydrophobicContact CE2-CG 4.35Å; Y619-A621 HydrophobicContact CE1-CB 3.81Å |
| 620 | G | 80.8 | Confident | 87.2 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | trans | -132.3 | 100.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | L485 R622 Q623 A624 | L485-G620 VanDerWaalsContact CD2-CA 3.49Å; G620-R622 VanDerWaalsContact C-N 3.28Å; G620-R622 PolarHBondContact O-N 2.98Å; G620-R622 VanDerWaalsContact O-N 3.12Å; G620-Q623 PolarHBondContact O-N 3.47Å; G620-Q623 PolarHBondContact O-OE1 2.99Å; G620-A624 WeakPolarHBondContact O-CB 3.44Å; G620-A624 PolarHBondContact O-N 3.12Å | ||
| 621 | A | 74 | Confident | 86.8 | Confident | 49 Ų | 49 | 26.4 Ų | 26.4 | 41% | 0.405 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -49 | -47.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113 | F60 Y619 F625 | F60-A621 VanDerWaalsContact CE2-O 3.3Å; F60-A621 WeakPolarHBondContact CE2-O 3.44Å; Y619-A621 HydrophobicContact CE1-CB 3.81Å; A621-F625 WeakPolarHBondContact O-CB 3.4Å; A621-F625 PolarHBondContact O-N 2.6Å |
| 622 | R | 77.9 | Confident | 86.5 | Confident | 58 Ų | 58 | 26.9 Ų | 26.9 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.7 | -37.3 | -179.8 | -170.3 | 175.5 | -176.9 | 163.1 | 1 | 112.8 | D476 G620 I626 | D476-R622 IonicContact OD1-CZ 3.48Å; D476-R622 IonicContact OD1-NE 2.67Å; D476-R622 IonicContact OD1-NH2 3.57Å; D476-R622 PolarHBondContact OD1-NH2 3.1Å; D476-R622 IonicContact OD2-NH2 3.99Å; G620-R622 VanDerWaalsContact C-N 3.28Å; G620-R622 PolarHBondContact O-N 2.98Å; G620-R622 VanDerWaalsContact O-N 3.12Å; R622-I626 HydrophobicContact CG-CD1 3.89Å; R622-I626 WeakPolarHBondContact O-CB 3.42Å; R622-I626 WeakPolarHBondContact O-CD1 3.4Å; R622-I626 WeakPolarHBondContact O-CG1 3.32Å; R622-I626 PolarHBondContact O-N 3.22Å; R622-I626 VanDerWaalsContact O-N 3.08Å |
| 623 | Q | 83 | Confident | 86.3 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74 | -46 | -174.8 | -67 | 76.5 | 13 | 0 | 0 | 111.7 | T483 W597 G620 I626 A627 | T483-Q623 HydrophobicContact CG2-CG 4.16Å; T483-Q623 PolarHBondContact OG1-NE2 2.86Å; W597-Q623 HydrophobicContact CD2-CB 3.82Å; W597-Q623 HydrophobicContact CD2-CG 3.47Å; W597-Q623 VanDerWaalsContact CD2-CG 3.47Å; W597-Q623 HydrophobicContact CE3-CB 3.84Å; W597-Q623 HydrophobicContact CE3-CG 3.74Å; W597-Q623 HydrophobicContact CG-CB 4.12Å; W597-Q623 HydrophobicContact CG-CG 4Å; W597-Q623 HydrophobicContact CH2-CG 4.16Å; W597-Q623 HydrophobicContact CZ2-CG 3.88Å; W597-Q623 HydrophobicContact CZ3-CB 4.47Å; W597-Q623 HydrophobicContact CZ3-CG 4.08Å; G620-Q623 PolarHBondContact O-N 3.47Å; G620-Q623 PolarHBondContact O-OE1 2.99Å; Q623-I626 PolarHBondContact O-N 3.31Å; Q623-A627 VanDerWaalsContact O-CB 3.25Å; Q623-A627 WeakPolarHBondContact O-CB 3.18Å; Q623-A627 PolarHBondContact O-N 3.39Å |
| 624 | A | 81.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F60 G620 I626 A627 D628 | F60-A624 HydrophobicContact CB-CB 4.48Å; F60-A624 HydrophobicContact CD2-CB 3.55Å; F60-A624 HydrophobicContact CE2-CB 4.24Å; F60-A624 HydrophobicContact CG-CB 4.35Å; G620-A624 WeakPolarHBondContact O-CB 3.44Å; G620-A624 PolarHBondContact O-N 3.12Å; A624-I626 PolarHBondContact O-N 3.32Å; A624-A627 PolarHBondContact O-N 3.26Å; A624-D628 PolarHBondContact O-N 2.72Å |
| 625 | F | 83 | Confident | 86.1 | Confident | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.088 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54 | -52.9 | 171.8 | 171.9 | -100.9 | 0 | 0 | 0 | 112.2 | T54 F60 A621 A627 Q629 | T54-F625 VanDerWaalsContact OG1-CD2 3.31Å; T54-F625 WeakPolarHBondContact OG1-CD2 3.45Å; T54-F625 WeakPolarHBondContact OG1-CE2 3.28Å; F60-F625 HydrophobicContact CD1-CB 4.15Å; F60-F625 HydrophobicContact CD1-CD2 4.19Å; F60-F625 HydrophobicContact CD2-CB 4.48Å; F60-F625 HydrophobicContact CE1-CB 3.82Å; F60-F625 AromaticContact CE1-CD2 3.77Å; F60-F625 HydrophobicContact CE1-CD2 3.77Å; F60-F625 HydrophobicContact CE1-CG 4.28Å; F60-F625 HydrophobicContact CE2-CB 4.15Å; F60-F625 HydrophobicContact CG-CB 4.48Å; F60-F625 HydrophobicContact CZ-CB 3.81Å; F60-F625 HydrophobicContact CZ-CD2 4.46Å; A621-F625 WeakPolarHBondContact O-CB 3.4Å; A621-F625 PolarHBondContact O-N 2.6Å; F625-A627 PolarHBondContact O-N 2.97Å; F625-Q629 VanDerWaalsContact O-CB 3.22Å; F625-Q629 WeakPolarHBondContact O-CB 3.4Å; F625-Q629 PolarHBondContact O-N 3.38Å; F625-Q629 VanDerWaalsContact O-N 3.08Å |
| 626 | I | 81.9 | Confident | 86 | Confident | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 179.2 | -70.2 | 168.4 | 0 | 0 | 0 | 110.9 | L480 R622 Q623 A624 L630 | L480-I626 HydrophobicContact CD1-CD1 4.27Å; L480-I626 HydrophobicContact CD2-CD1 3.79Å; R622-I626 HydrophobicContact CG-CD1 3.89Å; R622-I626 WeakPolarHBondContact O-CB 3.42Å; R622-I626 WeakPolarHBondContact O-CD1 3.4Å; R622-I626 WeakPolarHBondContact O-CG1 3.32Å; R622-I626 PolarHBondContact O-N 3.22Å; R622-I626 VanDerWaalsContact O-N 3.08Å; Q623-I626 PolarHBondContact O-N 3.31Å; A624-I626 PolarHBondContact O-N 3.32Å; I626-L630 HydrophobicContact CG2-CD1 3.66Å; I626-L630 HydrophobicContact CG2-CG 4.12Å; I626-L630 WeakPolarHBondContact O-CB 3.02Å; I626-L630 WeakPolarHBondContact O-CG 3.46Å; I626-L630 PolarHBondContact O-N 2.94Å |
| 627 | A | 85.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V598 S601 Q623 A624 F625 L630 T631 | V598-A627 HydrophobicContact CG2-CB 4.37Å; S601-A627 VanDerWaalsContact OG-CB 3.32Å; S601-A627 WeakPolarHBondContact OG-CB 3.35Å; Q623-A627 VanDerWaalsContact O-CB 3.25Å; Q623-A627 WeakPolarHBondContact O-CB 3.18Å; Q623-A627 PolarHBondContact O-N 3.39Å; A624-A627 PolarHBondContact O-N 3.26Å; F625-A627 PolarHBondContact O-N 2.97Å; A627-L630 PolarHBondContact O-N 3.1Å; A627-T631 WeakPolarHBondContact O-CB 3.38Å; A627-T631 PolarHBondContact O-N 2.77Å; A627-T631 VanDerWaalsContact O-N 3.12Å; A627-T631 PolarHBondContact O-OG1 3.18Å |
| 628 | D | 87 | Confident | 85.9 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 5% | 0.048 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.4 | -39.6 | -178.6 | -74.6 | 2.6 | 0 | 0 | 0 | 111.3 | P59 F60 R605 A624 L630 T631 S632 | P59-D628 WeakPolarHBondContact CD-OD2 3.4Å; F60-D628 HydrophobicContact CB-CB 4.3Å; F60-D628 WeakPolarHBondContact CB-OD2 3.21Å; F60-D628 PolarHBondContact N-OD2 3.38Å; R605-D628 IonicContact CZ-OD1 2.97Å; R605-D628 IonicContact CZ-OD2 3.7Å; R605-D628 IonicContact NH1-OD1 3.7Å; R605-D628 PolarHBondContact NH1-OD1 3.43Å; R605-D628 IonicContact NH1-OD2 2.66Å; R605-D628 VanDerWaalsContact NH2-CG 3.25Å; R605-D628 IonicContact NH2-OD1 2.74Å; R605-D628 PolarHBondContact NH2-OD1 3.39Å; R605-D628 IonicContact NH2-OD2 3.73Å; R605-D628 PolarHBondContact NH2-OD2 3.03Å; A624-D628 PolarHBondContact O-N 2.72Å; D628-L630 PolarHBondContact O-N 2.99Å; D628-T631 PolarHBondContact O-N 3.35Å; D628-S632 PolarHBondContact O-N 3.34Å; D628-S632 PolarHBondContact O-OG 2.99Å; D628-S632 VanDerWaalsContact O-OG 3.1Å |
| 629 | Q | 86.4 | Confident | 86 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 174.2 | -166.6 | -173.9 | 50.1 | 0 | 0 | 112.6 | Y53 M341 F456 F625 T631 S632 L633 | Y53-Q629 PolarHBondContact O-NE2 3.2Å; M341-Q629 HydrophobicContact CE-CB 4.48Å; M341-Q629 HydrophobicContact CE-CG 3.39Å; F456-Q629 VanDerWaalsContact CB-OE1 3.31Å; F625-Q629 VanDerWaalsContact O-CB 3.22Å; F625-Q629 WeakPolarHBondContact O-CB 3.4Å; F625-Q629 PolarHBondContact O-N 3.38Å; F625-Q629 VanDerWaalsContact O-N 3.08Å; Q629-T631 PolarHBondContact O-N 2.98Å; Q629-S632 PolarHBondContact O-OG 3.4Å; Q629-L633 WeakPolarHBondContact O-CB 3.43Å; Q629-L633 PolarHBondContact O-N 2.81Å; Q629-L633 VanDerWaalsContact O-N 3.13Å |
| 630 | L | 85.2 | Confident | 86.4 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 12% | 0.115 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.6 | -24.2 | 179.2 | -72.9 | 178.3 | 0 | 0 | 0 | 112.8 | V454 V598 I626 A627 D628 P634 | V454-L630 HydrophobicContact CB-CD2 4.05Å; V454-L630 HydrophobicContact CG1-CD2 3.59Å; V454-L630 WeakPolarHBondContact O-CD2 3.26Å; V598-L630 HydrophobicContact CG2-CB 3.84Å; V598-L630 HydrophobicContact CG2-CD1 4.01Å; I626-L630 HydrophobicContact CG2-CD1 3.66Å; I626-L630 HydrophobicContact CG2-CG 4.12Å; I626-L630 WeakPolarHBondContact O-CB 3.02Å; I626-L630 WeakPolarHBondContact O-CG 3.46Å; I626-L630 PolarHBondContact O-N 2.94Å; A627-L630 PolarHBondContact O-N 3.1Å; D628-L630 PolarHBondContact O-N 2.99Å; L630-P634 WeakPolarHBondContact O-CD 3.15Å |
| 631 | T | 88.2 | Confident | 86.9 | Confident | 58 Ų | 58 | 32 Ų | 32 | 36% | 0.356 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -83.2 | -40.9 | -180 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | A627 D628 Q629 P635 | A627-T631 WeakPolarHBondContact O-CB 3.38Å; A627-T631 PolarHBondContact O-N 2.77Å; A627-T631 VanDerWaalsContact O-N 3.12Å; A627-T631 PolarHBondContact O-OG1 3.18Å; D628-T631 PolarHBondContact O-N 3.35Å; Q629-T631 PolarHBondContact O-N 2.98Å; T631-P635 WeakPolarHBondContact O-CD 3.5Å |
| 632 | S | 88.3 | Confident | 87.8 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.8 | -31.3 | -177.8 | 61.8 | 0 | 0 | 0 | 0 | 114 | P55 E340 D628 Q629 P635 S636 | P55-S632 WeakPolarHBondContact CG-OG 3.35Å; E340-S632 VanDerWaalsContact OE2-CB 3.29Å; E340-S632 WeakPolarHBondContact OE2-CB 3.31Å; D628-S632 PolarHBondContact O-N 3.34Å; D628-S632 PolarHBondContact O-OG 2.99Å; D628-S632 VanDerWaalsContact O-OG 3.1Å; Q629-S632 PolarHBondContact O-OG 3.4Å; S632-P635 VanDerWaalsContact O-CD 3.26Å; S632-P635 WeakPolarHBondContact O-CD 3.44Å; S632-P635 WeakPolarHBondContact O-CG 3.43Å; S632-S636 WeakPolarHBondContact O-CB 3.49Å; S632-S636 PolarHBondContact O-N 2.62Å; S632-S636 VanDerWaalsContact O-N 3.11Å |
| 633 | L | 90.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | -169.1 | -177.9 | 71.7 | 0 | 0 | 0 | 114 | M341 V454 Q629 T637 L687 D688 P689 M692 | M341-L633 HydrophobicContact CE-CB 4.31Å; M341-L633 HydrophobicContact CE-CD1 4.02Å; M341-L633 HydrophobicContact SD-CD1 3.86Å; V454-L633 HydrophobicContact CG1-CD2 3.94Å; Q629-L633 WeakPolarHBondContact O-CB 3.43Å; Q629-L633 PolarHBondContact O-N 2.81Å; Q629-L633 VanDerWaalsContact O-N 3.13Å; L633-T637 WeakPolarHBondContact O-CB 3.4Å; L633-T637 PolarHBondContact O-N 2.79Å; L633-T637 PolarHBondContact O-OG1 3.44Å; L633-L687 HydrophobicContact CD2-CG 4.15Å; L633-L687 WeakPolarHBondContact CD2-O 3.13Å; L633-L687 HydrophobicContact CG-CG 4.4Å; L633-D688 VanDerWaalsContact CD2-CA 3.45Å; L633-P689 HydrophobicContact CD1-CG 4.47Å; L633-M692 HydrophobicContact CD1-CB 4.37Å; L633-M692 HydrophobicContact CD1-SD 3.78Å |
| 634 | P | 90.9 | Very high | 89.1 | Confident | 47 Ų | 47 | 30.1 Ų | 30.1 | 31% | 0.305 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.9 | -50.4 | 179.2 | -23.3 | 35.6 | 0 | 0 | 0 | 115.3 | V454 L630 S636 T637 L638 L687 | V454-P634 HydrophobicContact CG1-CG 4.12Å; V454-P634 HydrophobicContact CG2-CG 3.79Å; L630-P634 WeakPolarHBondContact O-CD 3.15Å; P634-S636 PolarHBondContact O-N 3.45Å; P634-T637 PolarHBondContact O-N 2.98Å; P634-L638 PolarHBondContact O-N 3.01Å; P634-L638 VanDerWaalsContact O-N 3.1Å; P634-L687 HydrophobicContact CG-CD2 4.49Å |
| 635 | P | 91.4 | Very high | 89.6 | Confident | 74 Ų | 74 | 31.5 Ų | 31.5 | 48% | 0.481 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 178.4 | 24.4 | -32.3 | 0 | 0 | 0 | 111.9 | T631 S632 T637 L638 Q639 | T631-P635 WeakPolarHBondContact O-CD 3.5Å; S632-P635 VanDerWaalsContact O-CD 3.26Å; S632-P635 WeakPolarHBondContact O-CD 3.44Å; S632-P635 WeakPolarHBondContact O-CG 3.43Å; P635-T637 PolarHBondContact O-N 3.3Å; P635-L638 PolarHBondContact O-N 3.19Å; P635-Q639 WeakPolarHBondContact O-CB 3.26Å; P635-Q639 PolarHBondContact O-N 3.13Å |
| 636 | S | 91 | Very high | 90.1 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -46.2 | 175.6 | -179 | 0 | 0 | 0 | 0 | 111.5 | S632 P634 L638 Q639 T640 | S632-S636 WeakPolarHBondContact O-CB 3.49Å; S632-S636 PolarHBondContact O-N 2.62Å; S632-S636 VanDerWaalsContact O-N 3.11Å; P634-S636 PolarHBondContact O-N 3.45Å; S636-L638 PolarHBondContact O-N 2.81Å; S636-Q639 PolarHBondContact O-N 2.92Å; S636-T640 WeakPolarHBondContact O-CG2 3.41Å; S636-T640 PolarHBondContact O-N 3.12Å; S636-T640 PolarHBondContact O-OG1 3.44Å |
| 637 | T | 91.8 | Very high | 90.6 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.1 | -51.1 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | L633 P634 P635 Q639 T640 I641 L687 M692 | L633-T637 WeakPolarHBondContact O-CB 3.4Å; L633-T637 PolarHBondContact O-N 2.79Å; L633-T637 PolarHBondContact O-OG1 3.44Å; P634-T637 PolarHBondContact O-N 2.98Å; P635-T637 PolarHBondContact O-N 3.3Å; T637-Q639 VanDerWaalsContact C-N 3.34Å; T637-Q639 PolarHBondContact O-N 2.79Å; T637-T640 PolarHBondContact O-N 2.73Å; T637-T640 PolarHBondContact O-OG1 2.76Å; T637-I641 HydrophobicContact CG2-CD1 3.63Å; T637-I641 HydrophobicContact CG2-CG1 4.42Å; T637-I641 VanDerWaalsContact O-CG1 3.32Å; T637-I641 WeakPolarHBondContact O-CG1 3.16Å; T637-I641 PolarHBondContact O-N 3.33Å; T637-L687 HydrophobicContact CG2-CD1 4.1Å; T637-M692 HydrophobicContact CG2-CG 4.35Å |
| 638 | L | 91.9 | Very high | 91 | Very high | 131 Ų | 131 | 36.7 Ų | 36.7 | 69% | 0.686 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.9 | -40.4 | -178.8 | -175.3 | 63.2 | 0 | 0 | 0 | 112 | P634 P635 S636 G642 | P634-L638 PolarHBondContact O-N 3.01Å; P634-L638 VanDerWaalsContact O-N 3.1Å; P635-L638 PolarHBondContact O-N 3.19Å; S636-L638 PolarHBondContact O-N 2.81Å; L638-G642 PolarHBondContact O-N 2.95Å |
| 639 | Q | 92.6 | Very high | 91.2 | Very high | 128 Ų | 128 | 38.1 Ų | 38.1 | 60% | 0.598 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.5 | -46.4 | 176.2 | -177.6 | 179.5 | 1 | 0 | 0 | 111.5 | P635 S636 T637 G642 A643 | P635-Q639 WeakPolarHBondContact O-CB 3.26Å; P635-Q639 PolarHBondContact O-N 3.13Å; S636-Q639 PolarHBondContact O-N 2.92Å; T637-Q639 VanDerWaalsContact C-N 3.34Å; T637-Q639 PolarHBondContact O-N 2.79Å; Q639-G642 PolarHBondContact O-N 3.18Å; Q639-A643 VanDerWaalsContact O-CB 3.23Å; Q639-A643 WeakPolarHBondContact O-CB 3.25Å; Q639-A643 PolarHBondContact O-N 3Å |
| 640 | T | 91.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.1 | -39.3 | 179.9 | 56 | 0 | 0 | 0 | 0 | 112.7 | S636 T637 G644 M692 | S636-T640 WeakPolarHBondContact O-CG2 3.41Å; S636-T640 PolarHBondContact O-N 3.12Å; S636-T640 PolarHBondContact O-OG1 3.44Å; T637-T640 PolarHBondContact O-N 2.73Å; T637-T640 PolarHBondContact O-OG1 2.76Å; T640-G644 WeakPolarHBondContact O-CA 3.25Å; T640-G644 PolarHBondContact O-N 3.44Å; T640-M692 HydrophobicContact CG2-CE 3.64Å; T640-M692 WeakPolarHBondContact OG1-CE 3.32Å |
| 641 | I | 91.5 | Very high | 91.7 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -47.1 | 176.4 | -67.9 | 168.1 | 0 | 0 | 0 | 110 | T637 A643 G644 I645 D673 I695 L699 | T637-I641 HydrophobicContact CG2-CD1 3.63Å; T637-I641 HydrophobicContact CG2-CG1 4.42Å; T637-I641 VanDerWaalsContact O-CG1 3.32Å; T637-I641 WeakPolarHBondContact O-CG1 3.16Å; T637-I641 PolarHBondContact O-N 3.33Å; I641-A643 PolarHBondContact O-N 3.39Å; I641-G644 PolarHBondContact O-N 3.42Å; I641-I645 HydrophobicContact CG2-CD1 3.82Å; I641-I645 HydrophobicContact CG2-CG1 4.38Å; I641-I645 WeakPolarHBondContact O-CG1 3.38Å; I641-I645 PolarHBondContact O-N 3.44Å; I641-D673 VanDerWaalsContact CG2-OD2 3.28Å; I641-D673 WeakPolarHBondContact CG2-OD2 3.35Å; I641-I695 HydrophobicContact CD1-CG2 3.43Å; I641-I695 VanDerWaalsContact CD1-CG2 3.43Å; I641-I695 HydrophobicContact CG1-CG2 3.9Å; I641-L699 HydrophobicContact CG2-CD1 4.42Å |
| 642 | G | 92.7 | Very high | 91.8 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 42% | 0.423 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L638 Q639 L646 | L638-G642 PolarHBondContact O-N 2.95Å; Q639-G642 PolarHBondContact O-N 3.18Å; G642-L646 WeakPolarHBondContact O-CB 3.42Å; G642-L646 PolarHBondContact O-N 2.84Å; G642-L646 VanDerWaalsContact O-N 3.09Å |
| 643 | A | 94 | Very high | 91.9 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I335 Q639 I641 L646 S647 | I335-A643 HydrophobicContact CG2-CB 3.89Å; Q639-A643 VanDerWaalsContact O-CB 3.23Å; Q639-A643 WeakPolarHBondContact O-CB 3.25Å; Q639-A643 PolarHBondContact O-N 3Å; I641-A643 PolarHBondContact O-N 3.39Å; A643-L646 PolarHBondContact O-N 3.38Å; A643-S647 VanDerWaalsContact O-CB 3.31Å; A643-S647 WeakPolarHBondContact O-CB 3.13Å; A643-S647 PolarHBondContact O-N 3.3Å |
| 644 | G | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -55.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T640 I641 L646 S647 L648 | T640-G644 WeakPolarHBondContact O-CA 3.25Å; T640-G644 PolarHBondContact O-N 3.44Å; I641-G644 PolarHBondContact O-N 3.42Å; G644-L646 VanDerWaalsContact C-N 3.32Å; G644-L646 PolarHBondContact O-N 3.43Å; G644-S647 PolarHBondContact O-N 3.01Å; G644-L648 WeakPolarHBondContact O-CB 3.24Å; G644-L648 VanDerWaalsContact O-CG 3.24Å; G644-L648 WeakPolarHBondContact O-CG 3.13Å; G644-L648 PolarHBondContact O-N 3.39Å |
| 645 | I | 92.8 | Very high | 91.5 | Very high | 30 Ų | 30 | 41 Ų | 41 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -44.4 | 177.6 | -67.3 | 172.3 | 0 | 0 | 0 | 110.9 | I641 L648 M649 L669 L670 L699 | I641-I645 HydrophobicContact CG2-CD1 3.82Å; I641-I645 HydrophobicContact CG2-CG1 4.38Å; I641-I645 WeakPolarHBondContact O-CG1 3.38Å; I641-I645 PolarHBondContact O-N 3.44Å; I645-L648 PolarHBondContact O-N 3.37Å; I645-M649 HydrophobicContact CG2-CG 4.4Å; I645-M649 WeakPolarHBondContact O-CB 3.45Å; I645-M649 WeakPolarHBondContact O-CG 3.3Å; I645-M649 PolarHBondContact O-N 3.37Å; I645-L669 HydrophobicContact CB-CD2 4.35Å; I645-L669 HydrophobicContact CG1-CD2 4.03Å; I645-L669 HydrophobicContact CG1-CG 4.31Å; I645-L669 HydrophobicContact CG2-CD2 4.25Å; I645-L670 HydrophobicContact CD1-CD1 4.15Å; I645-L699 HydrophobicContact CD1-CD2 4.27Å; I645-L699 HydrophobicContact CG1-CD1 4.35Å; I645-L699 HydrophobicContact CG1-CD2 3.78Å |
| 646 | L | 93 | Very high | 91.2 | Very high | 110 Ų | 110 | 37.7 Ų | 37.7 | 58% | 0.576 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -62.8 | -45.5 | 178.8 | 179.2 | 61.9 | 0 | 0 | 0 | 111.9 | G642 A643 G644 M649 I650 | G642-L646 WeakPolarHBondContact O-CB 3.42Å; G642-L646 PolarHBondContact O-N 2.84Å; G642-L646 VanDerWaalsContact O-N 3.09Å; A643-L646 PolarHBondContact O-N 3.38Å; G644-L646 VanDerWaalsContact C-N 3.32Å; G644-L646 PolarHBondContact O-N 3.43Å; L646-M649 WeakPolarHBondContact O-CB 3.31Å; L646-M649 PolarHBondContact O-N 3.49Å; L646-I650 HydrophobicContact CD1-CD1 4.33Å; L646-I650 HydrophobicContact CG-CD1 4.12Å; L646-I650 WeakPolarHBondContact O-CG1 3.43Å; L646-I650 PolarHBondContact O-N 3Å |
| 647 | S | 93.5 | Very high | 90.7 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 19% | 0.189 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -49 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | A643 G644 M649 I650 M651 | A643-S647 VanDerWaalsContact O-CB 3.31Å; A643-S647 WeakPolarHBondContact O-CB 3.13Å; A643-S647 PolarHBondContact O-N 3.3Å; G644-S647 PolarHBondContact O-N 3.01Å; S647-M649 VanDerWaalsContact C-N 3.27Å; S647-M649 PolarHBondContact O-N 3.17Å; S647-I650 WeakPolarHBondContact O-CB 3.44Å; S647-I650 PolarHBondContact O-N 2.82Å; S647-I650 VanDerWaalsContact O-N 3.08Å; S647-M651 WeakPolarHBondContact O-CG 3.46Å; S647-M651 PolarHBondContact O-N 3.47Å |
| 648 | L | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 176.5 | -71.3 | -179.6 | 0 | 0 | 0 | 112.3 | T328 L332 G644 I645 M651 T652 L669 L699 I703 | T328-L648 VanDerWaalsContact CB-CD2 3.48Å; T328-L648 HydrophobicContact CG2-CD2 3.71Å; L332-L648 HydrophobicContact CB-CD2 4.38Å; L332-L648 HydrophobicContact CD1-CD1 4.1Å; L332-L648 HydrophobicContact CD1-CG 4.38Å; L332-L648 HydrophobicContact CD2-CD1 4.33Å; G644-L648 WeakPolarHBondContact O-CB 3.24Å; G644-L648 VanDerWaalsContact O-CG 3.24Å; G644-L648 WeakPolarHBondContact O-CG 3.13Å; G644-L648 PolarHBondContact O-N 3.39Å; I645-L648 PolarHBondContact O-N 3.37Å; L648-M651 PolarHBondContact O-N 2.87Å; L648-T652 WeakPolarHBondContact O-CG2 3.5Å; L648-T652 PolarHBondContact O-N 3.41Å; L648-T652 PolarHBondContact O-OG1 3.47Å; L648-T652 VanDerWaalsContact O-OG1 3.08Å; L648-L669 HydrophobicContact CB-CD2 4.11Å; L648-L669 HydrophobicContact CD1-CD2 3.76Å; L648-L699 HydrophobicContact CD1-CB 3.86Å; L648-I703 HydrophobicContact CB-CD1 3.67Å; L648-I703 HydrophobicContact CD1-CD1 4.18Å; L648-I703 HydrophobicContact CD1-CG2 4.45Å; L648-I703 HydrophobicContact CD2-CD1 4.09Å; L648-I703 HydrophobicContact CD2-CG2 4.41Å; L648-I703 HydrophobicContact CG-CD1 4.18Å |
| 649 | M | 91.6 | Very high | 90.3 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 19% | 0.192 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -38.8 | 174 | -75.9 | -67.1 | -76.8 | 0 | 0 | 113.2 | I645 L646 S647 T652 A653 V662 G666 | I645-M649 HydrophobicContact CG2-CG 4.4Å; I645-M649 WeakPolarHBondContact O-CB 3.45Å; I645-M649 WeakPolarHBondContact O-CG 3.3Å; I645-M649 PolarHBondContact O-N 3.37Å; L646-M649 WeakPolarHBondContact O-CB 3.31Å; L646-M649 PolarHBondContact O-N 3.49Å; S647-M649 VanDerWaalsContact C-N 3.27Å; S647-M649 PolarHBondContact O-N 3.17Å; M649-T652 WeakPolarHBondContact CA-OG1 3.26Å; M649-T652 PolarHBondContact O-OG1 3.49Å; M649-T652 VanDerWaalsContact O-OG1 3.06Å; M649-A653 VanDerWaalsContact O-CB 3.29Å; M649-A653 WeakPolarHBondContact O-CB 3.1Å; M649-A653 PolarHBondContact O-N 3.05Å; M649-V662 HydrophobicContact CE-CG1 3.61Å; M649-V662 VanDerWaalsContact CE-O 3.29Å; M649-V662 WeakPolarHBondContact CE-O 3.26Å; M649-V662 HydrophobicContact SD-CG1 4.18Å; M649-G666 WeakPolarHBondContact SD-CA 3.31Å; M649-G666 PolarHBondContact SD-N 2.85Å; M649-G666 VanDerWaalsContact SD-N 3.36Å |
| 650 | I | 92 | Very high | 90.2 | Very high | 94 Ų | 94 | 38.8 Ų | 38.8 | 48% | 0.482 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.4 | -46 | 173.7 | -68.5 | 164.3 | 0 | 0 | 0 | 109.9 | L646 S647 A653 M654 | L646-I650 HydrophobicContact CD1-CD1 4.33Å; L646-I650 HydrophobicContact CG-CD1 4.12Å; L646-I650 WeakPolarHBondContact O-CG1 3.43Å; L646-I650 PolarHBondContact O-N 3Å; S647-I650 WeakPolarHBondContact O-CB 3.44Å; S647-I650 PolarHBondContact O-N 2.82Å; S647-I650 VanDerWaalsContact O-N 3.08Å; I650-A653 WeakPolarHBondContact O-CB 3.41Å; I650-A653 PolarHBondContact O-N 3.1Å; I650-M654 WeakPolarHBondContact O-CG 3.34Å; I650-M654 PolarHBondContact O-N 3.35Å |
| 651 | M | 90 | Very high | 90.1 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 178.4 | -69.6 | -53 | -56 | 0 | 0 | 111.5 | M327 T328 S647 L648 A653 M654 F655 | M327-M651 HydrophobicContact CB-CE 3.38Å; M327-M651 HydrophobicContact CE-CE 3.69Å; M327-M651 HydrophobicContact CG-CE 4.26Å; M327-M651 HydrophobicContact SD-CE 3.98Å; T328-M651 HydrophobicContact CG2-CB 3.68Å; T328-M651 HydrophobicContact CG2-CG 4.27Å; S647-M651 WeakPolarHBondContact O-CG 3.46Å; S647-M651 PolarHBondContact O-N 3.47Å; L648-M651 PolarHBondContact O-N 2.87Å; M651-A653 VanDerWaalsContact C-N 3.31Å; M651-A653 PolarHBondContact O-N 2.77Å; M651-M654 WeakPolarHBondContact O-CB 3.06Å; M651-M654 PolarHBondContact O-N 3.26Å; M651-M654 VanDerWaalsContact O-N 3.16Å; M651-M654 HydrophobicContact SD-SD 4.19Å; M651-F655 HydrophobicContact CE-CE2 4.43Å; M651-F655 WeakPolarHBondContact O-CD2 3.41Å |
| 652 | T | 89.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | 176.8 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | L648 M649 M654 F655 I656 V665 I703 T707 | L648-T652 WeakPolarHBondContact O-CG2 3.5Å; L648-T652 PolarHBondContact O-N 3.41Å; L648-T652 PolarHBondContact O-OG1 3.47Å; L648-T652 VanDerWaalsContact O-OG1 3.08Å; M649-T652 WeakPolarHBondContact CA-OG1 3.26Å; M649-T652 PolarHBondContact O-OG1 3.49Å; M649-T652 VanDerWaalsContact O-OG1 3.06Å; T652-M654 VanDerWaalsContact C-N 3.25Å; T652-M654 PolarHBondContact O-N 2.84Å; T652-F655 PolarHBondContact O-N 3.35Å; T652-I656 PolarHBondContact O-N 3.24Å; T652-V665 HydrophobicContact CG2-CG1 4.07Å; T652-I703 HydrophobicContact CG2-CD1 3.67Å; T652-I703 HydrophobicContact CG2-CG1 4.34Å; T652-T707 HydrophobicContact CG2-CG2 4.09Å |
| 653 | A | 90.8 | Very high | 90.1 | Very high | 42 Ų | 42 | 41 Ų | 41 | 35% | 0.347 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.6 | -25.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | M649 I650 M651 F655 V662 | M649-A653 VanDerWaalsContact O-CB 3.29Å; M649-A653 WeakPolarHBondContact O-CB 3.1Å; M649-A653 PolarHBondContact O-N 3.05Å; I650-A653 WeakPolarHBondContact O-CB 3.41Å; I650-A653 PolarHBondContact O-N 3.1Å; M651-A653 VanDerWaalsContact C-N 3.31Å; M651-A653 PolarHBondContact O-N 2.77Å; A653-F655 VanDerWaalsContact C-N 3.31Å; A653-V662 HydrophobicContact CB-CG1 4.08Å; A653-V662 HydrophobicContact CB-CG2 4.05Å |
| 654 | M | 87.9 | Confident | 90.1 | Very high | 51 Ų | 51 | 40.3 Ų | 40.3 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.4 | -27.9 | 176.3 | -68.7 | 170.9 | 59.1 | 0 | 0 | 112.8 | M3 I650 M651 T652 | M3-M654 HydrophobicContact CE-CE 3.39Å; M3-M654 PolarHBondContact N-O 3.37Å; M3-M654 HydrophobicContact SD-CE 3.4Å; M3-M654 WeakPolarHBondContact SD-CE 3.47Å; I650-M654 WeakPolarHBondContact O-CG 3.34Å; I650-M654 PolarHBondContact O-N 3.35Å; M651-M654 WeakPolarHBondContact O-CB 3.06Å; M651-M654 PolarHBondContact O-N 3.26Å; M651-M654 VanDerWaalsContact O-N 3.16Å; M651-M654 HydrophobicContact SD-SD 4.19Å; T652-M654 VanDerWaalsContact C-N 3.25Å; T652-M654 PolarHBondContact O-N 2.84Å |
| 655 | F | 84.7 | Confident | 90.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -108.6 | -36.2 | -173.4 | -69.1 | -103.7 | 0 | 0 | 0 | 113.5 | L7 V320 T323 L324 M327 M651 T652 A653 | L7-F655 HydrophobicContact CD1-CD1 4.42Å; L7-F655 HydrophobicContact CD1-CE1 3.61Å; L7-F655 HydrophobicContact CD1-CZ 4.12Å; V320-F655 HydrophobicContact CG1-CD1 3.79Å; V320-F655 HydrophobicContact CG1-CE1 4.01Å; T323-F655 HydrophobicContact CG2-CZ 4.31Å; L324-F655 HydrophobicContact CB-CD1 3.97Å; L324-F655 HydrophobicContact CB-CD2 4.33Å; L324-F655 HydrophobicContact CB-CE1 4Å; L324-F655 HydrophobicContact CB-CE2 4.35Å; L324-F655 HydrophobicContact CB-CG 4.13Å; L324-F655 HydrophobicContact CB-CZ 4.19Å; L324-F655 HydrophobicContact CD1-CB 4.19Å; L324-F655 HydrophobicContact CD1-CD2 3.5Å; L324-F655 VanDerWaalsContact CD1-CD2 3.5Å; L324-F655 HydrophobicContact CD1-CE2 3.89Å; L324-F655 HydrophobicContact CD1-CG 3.85Å; L324-F655 HydrophobicContact CD2-CB 3.88Å; L324-F655 HydrophobicContact CD2-CD1 4.48Å; L324-F655 HydrophobicContact CD2-CG 4.1Å; L324-F655 HydrophobicContact CG-CD2 4.33Å; L324-F655 HydrophobicContact CG-CG 4.25Å; M327-F655 HydrophobicContact SD-CE2 4.48Å; M327-F655 HydrophobicContact SD-CZ 4.2Å; M651-F655 HydrophobicContact CE-CE2 4.43Å; M651-F655 WeakPolarHBondContact O-CD2 3.41Å; T652-F655 PolarHBondContact O-N 3.35Å; A653-F655 VanDerWaalsContact C-N 3.31Å |
| 656 | I | 85 | Confident | 90.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | trans | -88.7 | 114.5 | 180 | -58.5 | 179.6 | 0 | 0 | 0 | 110 | T652 S658 V662 V665 T707 C710 H711 F714 | T652-I656 PolarHBondContact O-N 3.24Å; I656-S658 PolarHBondContact O-N 3.09Å; I656-V662 HydrophobicContact CB-CG2 4.12Å; I656-V662 HydrophobicContact CG2-CG2 4.37Å; I656-V665 HydrophobicContact CD1-CG2 4.1Å; I656-T707 HydrophobicContact CD1-CG2 4.35Å; I656-C710 HydrophobicContact CD1-CB 4.41Å; I656-H711 HydrophobicContact CD1-CB 4.37Å; I656-H711 HydrophobicContact CG1-CB 4.09Å; I656-F714 HydrophobicContact CG2-CD2 4.37Å | ||
| 657 | H | 80.5 | Confident | 90.1 | Very high | 81 Ų | 81 | 36.6 Ų | 36.6 | 38% | 0.375 | 21% | 0.207 | S | C | . | . | trans | -71 | 3.1 | -177.1 | -55.9 | 92.7 | 0 | 0 | 0 | 115.6 | H2 D4 | H2-H657 VanDerWaalsContact CB-CD2 3.47Å; H2-H657 WeakPolarHBondContact CB-CD2 3.42Å; H2-H657 AromaticContact CD2-CD2 3.89Å; H2-H657 AromaticContact CG-CD2 3.45Å; H2-H657 VanDerWaalsContact CG-CD2 3.45Å; H2-H657 AromaticContact ND1-CD2 3.85Å; D4-H657 WeakPolarHBondContact CB-CE1 3.2Å; D4-H657 IonicContact OD2-CE1 2.81Å; D4-H657 PolarHBondContact OD2-CE1 2.92Å | ||
| 658 | S | 85.8 | Confident | 90.2 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | trans | -122.2 | 118.5 | -173.2 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | I656 T660 G661 V662 F714 | I656-S658 PolarHBondContact O-N 3.09Å; S658-T660 PolarHBondContact O-N 2.78Å; S658-T660 PolarHBondContact OG-N 3.13Å; S658-G661 WeakPolarHBondContact O-CA 3.46Å; S658-G661 PolarHBondContact O-N 2.83Å; S658-G661 PolarHBondContact OG-N 2.72Å; S658-V662 PolarHBondContact O-N 2.77Å; S658-F714 VanDerWaalsContact CB-CD1 3.41Å; S658-F714 WeakPolarHBondContact OG-CD1 3.44Å; S658-F714 WeakPolarHBondContact OG-CE1 3.3Å | ||
| 659 | L | 89.3 | Confident | 90.2 | Very high | 132 Ų | 132 | 35.7 Ų | 35.7 | 69% | 0.691 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -56.2 | -39.1 | 173.9 | 179.1 | 62 | 0 | 0 | 0 | 110.9 | G661 V662 L663 | L659-G661 VanDerWaalsContact C-N 3.3Å; L659-G661 PolarHBondContact O-N 3.45Å; L659-V662 PolarHBondContact O-N 2.87Å; L659-L663 HydrophobicContact CD1-CD1 4.29Å; L659-L663 HydrophobicContact CD1-CG 4.18Å; L659-L663 HydrophobicContact CG-CD1 4.02Å; L659-L663 HydrophobicContact CG-CG 4.34Å; L659-L663 WeakPolarHBondContact O-CB 3.49Å; L659-L663 VanDerWaalsContact O-CG 3.31Å; L659-L663 WeakPolarHBondContact O-CG 3.25Å; L659-L663 PolarHBondContact O-N 2.73Å |
| 660 | T | 90.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 174.8 | -48.2 | 0 | 0 | 0 | 0 | 111.5 | S658 L663 L664 I787 | S658-T660 PolarHBondContact O-N 2.78Å; S658-T660 PolarHBondContact OG-N 3.13Å; T660-L663 PolarHBondContact O-N 2.86Å; T660-L664 HydrophobicContact CG2-CD1 4.25Å; T660-L664 HydrophobicContact CG2-CG 4.48Å; T660-L664 WeakPolarHBondContact O-CB 3.45Å; T660-L664 WeakPolarHBondContact O-CG 3.35Å; T660-L664 PolarHBondContact O-N 2.79Å; T660-I787 HydrophobicContact CG2-CD1 3.79Å; T660-I787 HydrophobicContact CG2-CG2 4.32Å |
| 661 | G | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S658 L659 L664 V665 | S658-G661 WeakPolarHBondContact O-CA 3.46Å; S658-G661 PolarHBondContact O-N 2.83Å; S658-G661 PolarHBondContact OG-N 2.72Å; L659-G661 VanDerWaalsContact C-N 3.3Å; L659-G661 PolarHBondContact O-N 3.45Å; G661-L664 PolarHBondContact O-N 2.76Å; G661-V665 WeakPolarHBondContact O-CG2 3.3Å; G661-V665 PolarHBondContact O-N 2.74Å |
| 662 | V | 92 | Very high | 90.7 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62 | -50.2 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | M649 A653 I656 S658 L659 L664 V665 G666 | M649-V662 HydrophobicContact CE-CG1 3.61Å; M649-V662 VanDerWaalsContact CE-O 3.29Å; M649-V662 WeakPolarHBondContact CE-O 3.26Å; M649-V662 HydrophobicContact SD-CG1 4.18Å; A653-V662 HydrophobicContact CB-CG1 4.08Å; A653-V662 HydrophobicContact CB-CG2 4.05Å; I656-V662 HydrophobicContact CB-CG2 4.12Å; I656-V662 HydrophobicContact CG2-CG2 4.37Å; S658-V662 PolarHBondContact O-N 2.77Å; L659-V662 PolarHBondContact O-N 2.87Å; V662-L664 VanDerWaalsContact C-N 3.3Å; V662-L664 PolarHBondContact O-N 3.24Å; V662-V665 PolarHBondContact O-N 3.24Å; V662-G666 PolarHBondContact O-N 3.47Å |
| 663 | L | 93.2 | Very high | 91 | Very high | 102 Ų | 102 | 33.8 Ų | 33.8 | 53% | 0.534 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 178.5 | -68.6 | 176.1 | 0 | 0 | 0 | 112.6 | L659 T660 G666 S667 | L659-L663 HydrophobicContact CD1-CD1 4.29Å; L659-L663 HydrophobicContact CD1-CG 4.18Å; L659-L663 HydrophobicContact CG-CD1 4.02Å; L659-L663 HydrophobicContact CG-CG 4.34Å; L659-L663 WeakPolarHBondContact O-CB 3.49Å; L659-L663 VanDerWaalsContact O-CG 3.31Å; L659-L663 WeakPolarHBondContact O-CG 3.25Å; L659-L663 PolarHBondContact O-N 2.73Å; T660-L663 PolarHBondContact O-N 2.86Å; L663-G666 PolarHBondContact O-N 3.36Å; L663-S667 WeakPolarHBondContact O-CB 3.5Å; L663-S667 PolarHBondContact O-N 2.69Å; L663-S667 PolarHBondContact O-OG 2.83Å |
| 664 | L | 93.5 | Very high | 91.2 | Very high | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.089 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | 173.5 | -76.8 | 171.6 | 0 | 0 | 0 | 110.9 | T660 G661 V662 G666 S667 M668 L783 L784 I787 | T660-L664 HydrophobicContact CG2-CD1 4.25Å; T660-L664 HydrophobicContact CG2-CG 4.48Å; T660-L664 WeakPolarHBondContact O-CB 3.45Å; T660-L664 WeakPolarHBondContact O-CG 3.35Å; T660-L664 PolarHBondContact O-N 2.79Å; G661-L664 PolarHBondContact O-N 2.76Å; V662-L664 VanDerWaalsContact C-N 3.3Å; V662-L664 PolarHBondContact O-N 3.24Å; L664-G666 VanDerWaalsContact C-N 3.31Å; L664-G666 PolarHBondContact O-N 2.89Å; L664-S667 PolarHBondContact O-N 3.46Å; L664-S667 PolarHBondContact O-OG 2.84Å; L664-M668 VanDerWaalsContact O-CG 3.29Å; L664-M668 WeakPolarHBondContact O-CG 3.34Å; L664-M668 PolarHBondContact O-N 3.29Å; L664-L783 HydrophobicContact CD2-CB 4Å; L664-L783 HydrophobicContact CD2-CD1 3.75Å; L664-L783 HydrophobicContact CD2-CG 4.45Å; L664-L784 HydrophobicContact CD1-CD2 3.82Å; L664-I787 HydrophobicContact CD1-CD1 3.69Å; L664-I787 HydrophobicContact CD2-CD1 4.27Å; L664-I787 HydrophobicContact CG-CD1 4.37Å |
| 665 | V | 93 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56 | -47.8 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | T652 I656 G661 V662 S667 M668 L669 I703 V706 C710 | T652-V665 HydrophobicContact CG2-CG1 4.07Å; I656-V665 HydrophobicContact CD1-CG2 4.1Å; G661-V665 WeakPolarHBondContact O-CG2 3.3Å; G661-V665 PolarHBondContact O-N 2.74Å; V662-V665 PolarHBondContact O-N 3.24Å; V665-S667 PolarHBondContact O-N 3.42Å; V665-M668 PolarHBondContact O-N 2.96Å; V665-L669 WeakPolarHBondContact O-CB 3.46Å; V665-L669 PolarHBondContact O-N 3.28Å; V665-I703 HydrophobicContact CG1-CD1 4.19Å; V665-I703 HydrophobicContact CG1-CG1 4.06Å; V665-V706 HydrophobicContact CB-CG1 4.46Å; V665-V706 HydrophobicContact CG2-CG1 4.02Å; V665-C710 HydrophobicContact CG2-CB 3.96Å |
| 666 | G | 93.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M649 V662 L663 L664 M668 L669 L670 | M649-G666 WeakPolarHBondContact SD-CA 3.31Å; M649-G666 PolarHBondContact SD-N 2.85Å; M649-G666 VanDerWaalsContact SD-N 3.36Å; V662-G666 PolarHBondContact O-N 3.47Å; L663-G666 PolarHBondContact O-N 3.36Å; L664-G666 VanDerWaalsContact C-N 3.31Å; L664-G666 PolarHBondContact O-N 2.89Å; G666-M668 VanDerWaalsContact C-N 3.35Å; G666-L669 PolarHBondContact O-N 3.03Å; G666-L670 WeakPolarHBondContact O-CB 3.32Å; G666-L670 PolarHBondContact O-N 3.2Å |
| 667 | S | 93.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 31.3 Ų | 31.3 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 177 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | L663 L664 V665 S671 | L663-S667 WeakPolarHBondContact O-CB 3.5Å; L663-S667 PolarHBondContact O-N 2.69Å; L663-S667 PolarHBondContact O-OG 2.83Å; L664-S667 PolarHBondContact O-N 3.46Å; L664-S667 PolarHBondContact O-OG 2.84Å; V665-S667 PolarHBondContact O-N 3.42Å; S667-S671 VanDerWaalsContact O-CB 3.23Å; S667-S671 WeakPolarHBondContact O-CB 3.4Å; S667-S671 PolarHBondContact O-N 2.84Å |
| 668 | M | 94.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.02 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.9 | -39 | 176.8 | -64.4 | -57.4 | 100.3 | 0 | 0 | 111.3 | L664 V665 G666 S671 T672 V706 H775 I779 L783 | L664-M668 VanDerWaalsContact O-CG 3.29Å; L664-M668 WeakPolarHBondContact O-CG 3.34Å; L664-M668 PolarHBondContact O-N 3.29Å; V665-M668 PolarHBondContact O-N 2.96Å; G666-M668 VanDerWaalsContact C-N 3.35Å; M668-S671 PolarHBondContact O-N 3.25Å; M668-T672 WeakPolarHBondContact O-CB 3.26Å; M668-T672 PolarHBondContact O-N 2.82Å; M668-T672 PolarHBondContact O-OG1 3.4Å; M668-V706 HydrophobicContact CB-CG1 3.96Å; M668-V706 HydrophobicContact CB-CG2 4.1Å; M668-V706 HydrophobicContact CG-CG1 3.98Å; M668-H775 HydrophobicContact SD-CB 4.37Å; M668-I779 HydrophobicContact CE-CG2 3.84Å; M668-I779 HydrophobicContact SD-CB 4.01Å; M668-I779 HydrophobicContact SD-CG2 3.54Å; M668-I779 VanDerWaalsContact SD-CG2 3.54Å; M668-L783 HydrophobicContact CE-CD1 3.51Å; M668-L783 HydrophobicContact SD-CD1 4.31Å |
| 669 | L | 93.9 | Very high | 94 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -51.3 | 175.7 | -179 | 61.8 | 0 | 0 | 0 | 110.8 | I645 L648 V665 G666 S671 T672 D673 L699 S702 I703 | I645-L669 HydrophobicContact CB-CD2 4.35Å; I645-L669 HydrophobicContact CG1-CD2 4.03Å; I645-L669 HydrophobicContact CG1-CG 4.31Å; I645-L669 HydrophobicContact CG2-CD2 4.25Å; L648-L669 HydrophobicContact CB-CD2 4.11Å; L648-L669 HydrophobicContact CD1-CD2 3.76Å; V665-L669 WeakPolarHBondContact O-CB 3.46Å; V665-L669 PolarHBondContact O-N 3.28Å; G666-L669 PolarHBondContact O-N 3.03Å; L669-S671 VanDerWaalsContact C-N 3.34Å; L669-S671 PolarHBondContact O-N 3.49Å; L669-T672 PolarHBondContact O-N 3.31Å; L669-D673 WeakPolarHBondContact O-CB 3.03Å; L669-D673 PolarHBondContact O-N 2.87Å; L669-L699 HydrophobicContact CD1-CB 4.22Å; L669-L699 HydrophobicContact CD1-CD2 3.69Å; L669-L699 WeakPolarHBondContact CD1-O 3.38Å; L669-L699 HydrophobicContact CD2-CD2 4.44Å; L669-L699 HydrophobicContact CG-CD2 4Å; L669-S702 VanDerWaalsContact CD1-OG 3.3Å; L669-S702 WeakPolarHBondContact CD1-OG 3.31Å; L669-I703 HydrophobicContact CD1-CB 4.45Å |
| 670 | L | 94 | Very high | 94.3 | Very high | 95 Ų | 95 | 22.6 Ų | 22.6 | 50% | 0.497 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 177.1 | -179.1 | 65.2 | 0 | 0 | 0 | 111.9 | I645 G666 V674 | I645-L670 HydrophobicContact CD1-CD1 4.15Å; G666-L670 WeakPolarHBondContact O-CB 3.32Å; G666-L670 PolarHBondContact O-N 3.2Å; L670-V674 HydrophobicContact CD1-CG2 4.29Å; L670-V674 WeakPolarHBondContact O-CB 3.45Å; L670-V674 VanDerWaalsContact O-CG2 3.23Å; L670-V674 WeakPolarHBondContact O-CG2 3.34Å; L670-V674 PolarHBondContact O-N 3.15Å |
| 671 | S | 95.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 112 | Y438 Y441 S667 M668 L669 G675 H775 | Y438-S671 WeakPolarHBondContact CE2-OG 3.25Å; Y438-S671 WeakPolarHBondContact OH-CB 3.07Å; Y438-S671 PolarHBondContact OH-OG 3.11Å; Y441-S671 PolarHBondContact OH-O 3.4Å; Y441-S671 VanDerWaalsContact OH-O 3.08Å; S667-S671 VanDerWaalsContact O-CB 3.23Å; S667-S671 WeakPolarHBondContact O-CB 3.4Å; S667-S671 PolarHBondContact O-N 2.84Å; M668-S671 PolarHBondContact O-N 3.25Å; L669-S671 VanDerWaalsContact C-N 3.34Å; L669-S671 PolarHBondContact O-N 3.49Å; S671-G675 PolarHBondContact O-N 3.08Å; S671-G675 VanDerWaalsContact O-N 3.1Å; S671-H775 WeakPolarHBondContact CB-NE2 3.24Å; S671-H775 PolarHBondContact OG-NE2 2.98Å |
| 672 | T | 95.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -47.6 | 179.2 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | M668 L669 G675 V676 T771 H775 | M668-T672 WeakPolarHBondContact O-CB 3.26Å; M668-T672 PolarHBondContact O-N 2.82Å; M668-T672 PolarHBondContact O-OG1 3.4Å; L669-T672 PolarHBondContact O-N 3.31Å; T672-G675 PolarHBondContact O-N 3.46Å; T672-V676 HydrophobicContact CG2-CG2 4.3Å; T672-V676 VanDerWaalsContact O-CG2 3.26Å; T672-V676 WeakPolarHBondContact O-CG2 3.31Å; T672-V676 PolarHBondContact O-N 2.97Å; T672-T771 WeakPolarHBondContact CG2-OG1 3.41Å; T672-H775 VanDerWaalsContact OG1-CG 3.32Å; T672-H775 PolarHBondContact OG1-ND1 3.03Å |
| 673 | D | 94 | Very high | 95.1 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | -179.9 | -172.4 | 48.8 | 0 | 0 | 0 | 112 | I641 L669 G675 V676 V677 I695 S698 L699 | I641-D673 VanDerWaalsContact CG2-OD2 3.28Å; I641-D673 WeakPolarHBondContact CG2-OD2 3.35Å; L669-D673 WeakPolarHBondContact O-CB 3.03Å; L669-D673 PolarHBondContact O-N 2.87Å; D673-G675 VanDerWaalsContact C-N 3.26Å; D673-G675 PolarHBondContact O-N 2.93Å; D673-V676 PolarHBondContact O-N 3.2Å; D673-V676 VanDerWaalsContact O-N 3.11Å; D673-V677 WeakPolarHBondContact O-CG2 3.22Å; D673-V677 PolarHBondContact O-N 3.45Å; D673-I695 WeakPolarHBondContact OD1-CG2 3.3Å; D673-S698 PolarHBondContact OD1-OG 2.91Å; D673-L699 HydrophobicContact CB-CD2 3.87Å |
| 674 | V | 95.4 | Very high | 95.1 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 16% | 0.158 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.4 | -40.6 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | A445 F446 C449 L670 G678 | A445-V674 HydrophobicContact CB-CG1 4.04Å; F446-V674 HydrophobicContact CD1-CG1 4.21Å; F446-V674 HydrophobicContact CE1-CG1 4.04Å; F446-V674 HydrophobicContact CZ-CG1 4.2Å; C449-V674 PolarHBondContact SG-O 3.18Å; C449-V674 VanDerWaalsContact SG-O 3.37Å; L670-V674 HydrophobicContact CD1-CG2 4.29Å; L670-V674 WeakPolarHBondContact O-CB 3.45Å; L670-V674 VanDerWaalsContact O-CG2 3.23Å; L670-V674 WeakPolarHBondContact O-CG2 3.34Å; L670-V674 PolarHBondContact O-N 3.15Å; V674-G678 PolarHBondContact O-N 3.21Å |
| 675 | G | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.8 | -38.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y441 S671 T672 D673 L679 | Y441-G675 VanDerWaalsContact OH-CA 3.31Å; Y441-G675 WeakPolarHBondContact OH-CA 3.2Å; S671-G675 PolarHBondContact O-N 3.08Å; S671-G675 VanDerWaalsContact O-N 3.1Å; T672-G675 PolarHBondContact O-N 3.46Å; D673-G675 VanDerWaalsContact C-N 3.26Å; D673-G675 PolarHBondContact O-N 2.93Å; G675-L679 WeakPolarHBondContact O-CB 3.4Å; G675-L679 WeakPolarHBondContact O-CD1 3.39Å; G675-L679 WeakPolarHBondContact O-CG 3.4Å; G675-L679 PolarHBondContact O-N 3.27Å |
| 676 | V | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -49.7 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 109.9 | T672 D673 G678 L679 L680 T764 V768 | T672-V676 HydrophobicContact CG2-CG2 4.3Å; T672-V676 VanDerWaalsContact O-CG2 3.26Å; T672-V676 WeakPolarHBondContact O-CG2 3.31Å; T672-V676 PolarHBondContact O-N 2.97Å; D673-V676 PolarHBondContact O-N 3.2Å; D673-V676 VanDerWaalsContact O-N 3.11Å; V676-G678 PolarHBondContact O-N 3.07Å; V676-L679 PolarHBondContact O-N 2.91Å; V676-L680 HydrophobicContact CG1-CD1 3.81Å; V676-L680 HydrophobicContact CG1-CG 4.34Å; V676-L680 VanDerWaalsContact O-CB 3.24Å; V676-L680 WeakPolarHBondContact O-CB 3.4Å; V676-L680 WeakPolarHBondContact O-CG 3.38Å; V676-L680 PolarHBondContact O-N 3.32Å; V676-T764 HydrophobicContact CG1-CG2 4.06Å; V676-V768 HydrophobicContact CB-CG2 4.38Å; V676-V768 HydrophobicContact CG1-CG2 3.82Å; V676-V768 HydrophobicContact CG2-CB 4.39Å; V676-V768 HydrophobicContact CG2-CG2 3.62Å |
| 677 | V | 95.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 12% | 0.121 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 177.2 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | I452 D673 T681 I695 | I452-V677 HydrophobicContact CD1-CG1 4.07Å; D673-V677 WeakPolarHBondContact O-CG2 3.22Å; D673-V677 PolarHBondContact O-N 3.45Å; V677-T681 PolarHBondContact O-N 3.41Å; V677-T681 PolarHBondContact O-OG1 2.99Å; V677-I695 HydrophobicContact CG2-CD1 3.96Å; V677-I695 HydrophobicContact CG2-CG1 3.98Å; V677-I695 HydrophobicContact CG2-CG2 3.93Å |
| 678 | G | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A445 G448 C449 V674 V676 T681 L682 | A445-G678 WeakPolarHBondContact O-CA 3.49Å; G448-G678 WeakPolarHBondContact CA-O 3.23Å; C449-G678 PolarHBondContact SG-N 3.34Å; V674-G678 PolarHBondContact O-N 3.21Å; V676-G678 PolarHBondContact O-N 3.07Å; G678-T681 PolarHBondContact O-N 3.34Å; G678-L682 WeakPolarHBondContact O-CG 3.13Å; G678-L682 PolarHBondContact O-N 3.21Å |
| 679 | L | 97.3 | Very high | 94.8 | Very high | 47 Ų | 47 | 27.7 Ų | 27.7 | 25% | 0.246 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.1 | -34.1 | 179.7 | -67.7 | 170.7 | 0 | 0 | 0 | 112.5 | Y441 V444 G675 V676 T681 L682 W683 L767 T771 | Y441-L679 HydrophobicContact CE2-CD1 4.34Å; V444-L679 HydrophobicContact CG1-CD2 4.13Å; G675-L679 WeakPolarHBondContact O-CB 3.4Å; G675-L679 WeakPolarHBondContact O-CD1 3.39Å; G675-L679 WeakPolarHBondContact O-CG 3.4Å; G675-L679 PolarHBondContact O-N 3.27Å; V676-L679 PolarHBondContact O-N 2.91Å; L679-T681 VanDerWaalsContact C-N 3.33Å; L679-L682 HydrophobicContact CD2-CD1 4.46Å; L679-L682 PolarHBondContact O-N 2.68Å; L679-W683 VanDerWaalsContact O-CB 3.3Å; L679-W683 WeakPolarHBondContact O-CB 3.39Å; L679-W683 PolarHBondContact O-N 2.68Å; L679-L767 HydrophobicContact CB-CD1 3.81Å; L679-L767 HydrophobicContact CB-CD2 3.96Å; L679-L767 HydrophobicContact CD1-CD2 4.05Å; L679-T771 HydrophobicContact CD1-CG2 4.1Å |
| 680 | L | 96.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 172 | -80.2 | 173.5 | 0 | 0 | 0 | 111.3 | V676 L682 W683 D684 T685 K763 T764 L767 | V676-L680 HydrophobicContact CG1-CD1 3.81Å; V676-L680 HydrophobicContact CG1-CG 4.34Å; V676-L680 VanDerWaalsContact O-CB 3.24Å; V676-L680 WeakPolarHBondContact O-CB 3.4Å; V676-L680 WeakPolarHBondContact O-CG 3.38Å; V676-L680 PolarHBondContact O-N 3.32Å; L680-L682 VanDerWaalsContact C-N 3.35Å; L680-L682 PolarHBondContact O-N 3.12Å; L680-W683 CarbonylContact O-C 3.56Å; L680-W683 VanDerWaalsContact O-C 3.31Å; L680-W683 WeakPolarHBondContact O-CA 3.34Å; L680-W683 PolarHBondContact O-N 2.94Å; L680-D684 PolarHBondContact O-N 2.8Å; L680-T685 WeakPolarHBondContact O-CB 3.34Å; L680-T685 PolarHBondContact O-N 2.76Å; L680-T685 VanDerWaalsContact O-N 3.08Å; L680-K763 HydrophobicContact CD2-CB 4.07Å; L680-T764 HydrophobicContact CD1-CG2 4.02Å; L680-L767 HydrophobicContact CB-CD1 4.46Å; L680-L767 HydrophobicContact CD2-CD1 3.72Å; L680-L767 HydrophobicContact CG-CD1 3.72Å |
| 681 | T | 96.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 12% | 0.117 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.7 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | G448 Q451 I452 V677 G678 L679 W683 D684 | G448-T681 WeakPolarHBondContact O-CB 3.41Å; G448-T681 VanDerWaalsContact O-CG2 3.26Å; G448-T681 WeakPolarHBondContact O-CG2 3.43Å; Q451-T681 HydrophobicContact CB-CG2 4.07Å; I452-T681 HydrophobicContact CB-CG2 4.47Å; V677-T681 PolarHBondContact O-N 3.41Å; V677-T681 PolarHBondContact O-OG1 2.99Å; G678-T681 PolarHBondContact O-N 3.34Å; L679-T681 VanDerWaalsContact C-N 3.33Å; T681-W683 PolarHBondContact O-N 2.8Å; T681-D684 PolarHBondContact O-N 3.1Å |
| 682 | L | 96.5 | Very high | 94.6 | Very high | 60 Ų | 60 | 23.1 Ų | 23.1 | 31% | 0.314 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -67.4 | -16.4 | 174.6 | -65.6 | 173.5 | 0 | 0 | 0 | 113 | V444 W447 G678 L679 L680 | V444-L682 HydrophobicContact CG1-CD1 3.57Å; W447-L682 HydrophobicContact CE3-CD1 4.18Å; W447-L682 HydrophobicContact CE3-CD2 3.91Å; W447-L682 HydrophobicContact CH2-CD2 4.31Å; W447-L682 HydrophobicContact CZ3-CD1 4.36Å; W447-L682 HydrophobicContact CZ3-CD2 3.77Å; G678-L682 WeakPolarHBondContact O-CG 3.13Å; G678-L682 PolarHBondContact O-N 3.21Å; L679-L682 HydrophobicContact CD2-CD1 4.46Å; L679-L682 PolarHBondContact O-N 2.68Å; L680-L682 VanDerWaalsContact C-N 3.35Å; L680-L682 PolarHBondContact O-N 3.12Å |
| 683 | W | 96.1 | Very high | 94.5 | Very high | 104 Ų | 104 | 23.2 Ų | 23.2 | 39% | 0.394 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 30.5 | 175.6 | -155.3 | -3.3 | 0 | 0 | 0 | 112.6 | L679 L680 T681 T685 K763 F766 L767 | L679-W683 VanDerWaalsContact O-CB 3.3Å; L679-W683 WeakPolarHBondContact O-CB 3.39Å; L679-W683 PolarHBondContact O-N 2.68Å; L680-W683 CarbonylContact O-C 3.56Å; L680-W683 VanDerWaalsContact O-C 3.31Å; L680-W683 WeakPolarHBondContact O-CA 3.34Å; L680-W683 PolarHBondContact O-N 2.94Å; T681-W683 PolarHBondContact O-N 2.8Å; W683-T685 VanDerWaalsContact C-N 3.26Å; W683-T685 PolarHBondContact O-N 3.49Å; W683-K763 HydrophobicContact CD2-CD 3.9Å; W683-K763 HydrophobicContact CD2-CG 3.99Å; W683-K763 HydrophobicContact CE3-CB 4.08Å; W683-K763 HydrophobicContact CE3-CD 4.2Å; W683-K763 HydrophobicContact CE3-CG 3.91Å; W683-K763 HydrophobicContact CG-CD 4.1Å; W683-K763 HydrophobicContact CH2-CG 4.14Å; W683-K763 HydrophobicContact CZ2-CG 4.2Å; W683-K763 HydrophobicContact CZ3-CB 4.13Å; W683-K763 HydrophobicContact CZ3-CG 3.99Å; W683-K763 PolarHBondContact O-NZ 3.32Å; W683-F766 HydrophobicContact CH2-CD1 4.34Å; W683-F766 HydrophobicContact CZ3-CD1 4.22Å; W683-L767 HydrophobicContact CE3-CD1 3.99Å; W683-L767 HydrophobicContact CE3-CD2 4.29Å; W683-L767 HydrophobicContact CE3-CG 4.12Å; W683-L767 HydrophobicContact CZ3-CD1 4.42Å; W683-L767 HydrophobicContact CZ3-CD2 4.22Å; W683-L767 HydrophobicContact CZ3-CG 4.06Å |
| 684 | D | 93.9 | Very high | 94.5 | Very high | 138 Ų | 138 | 22.8 Ų | 22.8 | 74% | 0.738 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 36.9 | 175.4 | -63.1 | -51.7 | 0 | 0 | 0 | 114 | L680 T681 | L680-D684 PolarHBondContact O-N 2.8Å; T681-D684 PolarHBondContact O-N 3.1Å |
| 685 | T | 94 | Very high | 94.4 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 4% | 0.043 | 11% | 0.11 | C | C | . | . | trans | -101.7 | 117.9 | 169.3 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | L680 W683 T760 | L680-T685 WeakPolarHBondContact O-CB 3.34Å; L680-T685 PolarHBondContact O-N 2.76Å; L680-T685 VanDerWaalsContact O-N 3.08Å; W683-T685 VanDerWaalsContact C-N 3.26Å; W683-T685 PolarHBondContact O-N 3.49Å; T685-T760 HydrophobicContact CG2-CG2 3.85Å | ||
| 686 | D | 92.7 | Very high | 94.2 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 16% | 0.16 | 11% | 0.112 | C | C | . | . | trans | -74.8 | 155.1 | 173.4 | -59.6 | -48.3 | 0 | 0 | 0 | 110.4 | R453 N455 K460 D688 S691 | R453-D686 WeakPolarHBondContact CB-OD1 3.42Å; R453-D686 CarbonylContact O-C 3.55Å; R453-D686 WeakPolarHBondContact O-CA 3.45Å; R453-D686 WeakPolarHBondContact O-CB 3.43Å; N455-D686 HydrophobicContact CB-CB 4.09Å; N455-D686 PolarHBondContact ND2-OD2 3.13Å; K460-D686 IonicContact NZ-OD2 2.85Å; K460-D686 PolarHBondContact NZ-OD2 2.84Å; D686-D688 PolarHBondContact O-N 3.12Å; D686-S691 WeakPolarHBondContact O-CB 3.29Å; D686-S691 PolarHBondContact O-OG 3.22Å | ||
| 687 | L | 93 | Very high | 94 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -71.1 | 109.1 | 164.6 | -174.2 | 64.9 | 0 | 0 | 0 | 109.1 | I452 R453 V454 N455 L633 P634 T637 S691 I695 | I452-L687 HydrophobicContact CD1-CB 3.93Å; I452-L687 HydrophobicContact CD1-CD1 4.41Å; I452-L687 HydrophobicContact CD1-CD2 4.05Å; I452-L687 HydrophobicContact CD1-CG 4.35Å; I452-L687 HydrophobicContact CG1-CB 3.93Å; R453-L687 PolarHBondContact O-N 3.04Å; V454-L687 WeakPolarHBondContact CA-O 3.46Å; V454-L687 HydrophobicContact CG2-CB 4.48Å; V454-L687 HydrophobicContact CG2-CD2 4.28Å; N455-L687 PolarHBondContact N-O 3.21Å; L633-L687 HydrophobicContact CD2-CG 4.15Å; L633-L687 WeakPolarHBondContact CD2-O 3.13Å; L633-L687 HydrophobicContact CG-CG 4.4Å; P634-L687 HydrophobicContact CG-CD2 4.49Å; T637-L687 HydrophobicContact CG2-CD1 4.1Å; L687-S691 WeakPolarHBondContact CA-OG 3.29Å; L687-I695 HydrophobicContact CD1-CD1 4.1Å |
| 688 | D | 91.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -140.5 | 173.3 | 177.3 | 68.3 | 39.3 | 0 | 0 | 0 | 110.6 | F456 K460 L633 D686 I690 S691 M692 Y756 | F456-D688 HydrophobicContact CB-CB 4.08Å; F456-D688 HydrophobicContact CD2-CB 3.82Å; F456-D688 HydrophobicContact CG-CB 4.41Å; K460-D688 IonicContact NZ-OD2 2.71Å; K460-D688 PolarHBondContact NZ-OD2 3.24Å; L633-D688 VanDerWaalsContact CD2-CA 3.45Å; D686-D688 PolarHBondContact O-N 3.12Å; D688-I690 PolarHBondContact O-N 2.81Å; D688-I690 VanDerWaalsContact O-N 3.15Å; D688-I690 WeakPolarHBondContact OD1-CA 2.97Å; D688-I690 VanDerWaalsContact OD1-CB 3.3Å; D688-I690 WeakPolarHBondContact OD1-CB 3.18Å; D688-I690 PolarHBondContact OD1-N 3.25Å; D688-S691 PolarHBondContact N-OG 2.97Å; D688-S691 PolarHBondContact O-N 2.77Å; D688-S691 PolarHBondContact O-OG 3.44Å; D688-S691 PolarHBondContact OD1-N 3.37Å; D688-M692 PolarHBondContact O-N 2.94Å; D688-Y756 VanDerWaalsContact OD2-CE1 3.26Å; D688-Y756 WeakPolarHBondContact OD2-CE1 3.33Å; D688-Y756 VanDerWaalsContact OD2-CZ 3.29Å; D688-Y756 PolarHBondContact OD2-OH 3.5Å | ||
| 689 | P | 90.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.1 | -28.6 | -178.1 | -25.2 | 35.7 | 0 | 0 | 0 | 113.5 | Y53 M341 I344 F456 L633 I693 | Y53-P689 HydrophobicContact CD1-CB 3.91Å; Y53-P689 HydrophobicContact CD1-CG 3.86Å; Y53-P689 HydrophobicContact CE1-CB 3.98Å; Y53-P689 HydrophobicContact CE1-CG 4.32Å; M341-P689 HydrophobicContact CE-CG 3.85Å; M341-P689 HydrophobicContact SD-CB 3.67Å; M341-P689 HydrophobicContact SD-CG 3.48Å; M341-P689 WeakPolarHBondContact SD-CG 3.31Å; I344-P689 HydrophobicContact CD1-CB 4.3Å; F456-P689 HydrophobicContact CD2-CG 4.42Å; F456-P689 HydrophobicContact CE2-CG 4.43Å; L633-P689 HydrophobicContact CD1-CG 4.47Å; P689-I693 WeakPolarHBondContact O-CG1 3.14Å; P689-I693 PolarHBondContact O-N 2.64Å |
| 690 | I | 92.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -76.6 | -43.5 | 178.8 | -56.3 | -62.6 | 0 | 0 | 0 | 110.4 | T275 D688 M692 I693 N694 V757 T760 F761 | T275-I690 HydrophobicContact CG2-CD1 3.59Å; D688-I690 PolarHBondContact O-N 2.81Å; D688-I690 VanDerWaalsContact O-N 3.15Å; D688-I690 WeakPolarHBondContact OD1-CA 2.97Å; D688-I690 VanDerWaalsContact OD1-CB 3.3Å; D688-I690 WeakPolarHBondContact OD1-CB 3.18Å; D688-I690 PolarHBondContact OD1-N 3.25Å; I690-M692 VanDerWaalsContact C-N 3.29Å; I690-M692 PolarHBondContact O-N 3.46Å; I690-I693 PolarHBondContact O-N 2.83Å; I690-N694 PolarHBondContact O-N 2.84Å; I690-N694 VanDerWaalsContact O-N 3.15Å; I690-N694 PolarHBondContact O-ND2 2.79Å; I690-V757 HydrophobicContact CD1-CG1 4.41Å; I690-V757 HydrophobicContact CD1-CG2 4.32Å; I690-V757 HydrophobicContact CG1-CG2 4.17Å; I690-V757 HydrophobicContact CG2-CB 4.43Å; I690-V757 HydrophobicContact CG2-CG1 3.97Å; I690-V757 HydrophobicContact CG2-CG2 4.41Å; I690-T760 HydrophobicContact CG2-CG2 4.49Å; I690-F761 HydrophobicContact CG2-CE2 4.12Å |
| 691 | S | 93.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.5 | -34.3 | 174.3 | 71.1 | 0 | 0 | 0 | 0 | 111.5 | D686 L687 D688 N694 I695 | D686-S691 WeakPolarHBondContact O-CB 3.29Å; D686-S691 PolarHBondContact O-OG 3.22Å; L687-S691 WeakPolarHBondContact CA-OG 3.29Å; D688-S691 PolarHBondContact N-OG 2.97Å; D688-S691 PolarHBondContact O-N 2.77Å; D688-S691 PolarHBondContact O-OG 3.44Å; D688-S691 PolarHBondContact OD1-N 3.37Å; S691-N694 CarbonylContact O-C 3.31Å; S691-N694 WeakPolarHBondContact O-CB 3.22Å; S691-N694 PolarHBondContact O-N 3.38Å; S691-N694 VanDerWaalsContact O-N 3.14Å; S691-I695 VanDerWaalsContact O-CG1 3.24Å; S691-I695 WeakPolarHBondContact O-CG1 3.24Å; S691-I695 PolarHBondContact O-N 2.84Å |
| 692 | M | 93.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.025 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.6 | -178.4 | -178.6 | 165.4 | 0 | 0 | 111.7 | I344 L633 T637 T640 D688 I690 N694 I695 L696 | I344-M692 HydrophobicContact CD1-CB 4.07Å; I344-M692 HydrophobicContact CD1-CE 3.94Å; I344-M692 HydrophobicContact CD1-CG 3.9Å; I344-M692 HydrophobicContact CD1-SD 3.28Å; I344-M692 WeakPolarHBondContact CD1-SD 3.33Å; L633-M692 HydrophobicContact CD1-CB 4.37Å; L633-M692 HydrophobicContact CD1-SD 3.78Å; T637-M692 HydrophobicContact CG2-CG 4.35Å; T640-M692 HydrophobicContact CG2-CE 3.64Å; T640-M692 WeakPolarHBondContact OG1-CE 3.32Å; D688-M692 PolarHBondContact O-N 2.94Å; I690-M692 VanDerWaalsContact C-N 3.29Å; I690-M692 PolarHBondContact O-N 3.46Å; M692-N694 VanDerWaalsContact C-N 3.28Å; M692-N694 PolarHBondContact O-N 2.99Å; M692-I695 PolarHBondContact O-N 3.26Å; M692-L696 PolarHBondContact O-N 3.04Å |
| 693 | I | 92.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.015 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 172.2 | -70.8 | 165.9 | 0 | 0 | 0 | 110.8 | I344 F347 P689 I690 L696 M697 F761 | I344-I693 HydrophobicContact CB-CG1 4.27Å; I344-I693 HydrophobicContact CD1-CG1 4.44Å; I344-I693 HydrophobicContact CG1-CD1 4.07Å; I344-I693 HydrophobicContact CG1-CG1 3.88Å; I344-I693 HydrophobicContact CG2-CG1 4.05Å; F347-I693 HydrophobicContact CB-CD1 4.01Å; F347-I693 HydrophobicContact CD1-CB 4.48Å; F347-I693 HydrophobicContact CD1-CD1 4.3Å; F347-I693 HydrophobicContact CD1-CG1 4.28Å; F347-I693 HydrophobicContact CD1-CG2 3.41Å; F347-I693 VanDerWaalsContact CD1-CG2 3.41Å; F347-I693 HydrophobicContact CD2-CD1 4.45Å; F347-I693 HydrophobicContact CD2-CG2 4.32Å; F347-I693 HydrophobicContact CE1-CG2 3.2Å; F347-I693 HydrophobicContact CE2-CG2 4.13Å; F347-I693 HydrophobicContact CG-CD1 3.99Å; F347-I693 HydrophobicContact CG-CG1 4.47Å; F347-I693 HydrophobicContact CG-CG2 3.99Å; F347-I693 HydrophobicContact CZ-CG2 3.59Å; P689-I693 WeakPolarHBondContact O-CG1 3.14Å; P689-I693 PolarHBondContact O-N 2.64Å; I690-I693 PolarHBondContact O-N 2.83Å; I693-L696 PolarHBondContact O-N 2.9Å; I693-M697 WeakPolarHBondContact O-CB 3.09Å; I693-M697 PolarHBondContact O-N 3.06Å; I693-F761 HydrophobicContact CG2-CE1 4.3Å; I693-F761 HydrophobicContact CG2-CZ 4.12Å |
| 694 | N | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | -179.1 | -81.7 | -62.1 | 0 | 0 | 0 | 113.3 | I690 S691 M692 M697 S698 F761 T764 | I690-N694 PolarHBondContact O-N 2.84Å; I690-N694 VanDerWaalsContact O-N 3.15Å; I690-N694 PolarHBondContact O-ND2 2.79Å; S691-N694 CarbonylContact O-C 3.31Å; S691-N694 WeakPolarHBondContact O-CB 3.22Å; S691-N694 PolarHBondContact O-N 3.38Å; S691-N694 VanDerWaalsContact O-N 3.14Å; M692-N694 VanDerWaalsContact C-N 3.28Å; M692-N694 PolarHBondContact O-N 2.99Å; N694-M697 HydrophobicContact CB-CE 4.4Å; N694-M697 WeakPolarHBondContact OD1-CE 3.27Å; N694-S698 PolarHBondContact O-N 3.07Å; N694-F761 WeakPolarHBondContact OD1-CA 3.45Å; N694-F761 WeakPolarHBondContact OD1-CD1 3.17Å; N694-F761 VanDerWaalsContact OD1-CE1 3.28Å; N694-F761 WeakPolarHBondContact OD1-CE1 3.37Å; N694-F761 WeakPolarHBondContact OD1-CG 3.25Å; N694-T764 HydrophobicContact CB-CG2 3.72Å; N694-T764 WeakPolarHBondContact CB-OG1 3.31Å; N694-T764 WeakPolarHBondContact O-CG2 3.23Å |
| 695 | I | 94 | Very high | 92.2 | Very high | 7 Ų | 7 | 4 Ų | 4 | 4% | 0.036 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -69.2 | -42.6 | 174.1 | -65.1 | 160.9 | 0 | 0 | 0 | 109.9 | I641 D673 V677 L687 S691 M692 M697 S698 L699 | I641-I695 HydrophobicContact CD1-CG2 3.43Å; I641-I695 VanDerWaalsContact CD1-CG2 3.43Å; I641-I695 HydrophobicContact CG1-CG2 3.9Å; D673-I695 WeakPolarHBondContact OD1-CG2 3.3Å; V677-I695 HydrophobicContact CG2-CD1 3.96Å; V677-I695 HydrophobicContact CG2-CG1 3.98Å; V677-I695 HydrophobicContact CG2-CG2 3.93Å; L687-I695 HydrophobicContact CD1-CD1 4.1Å; S691-I695 VanDerWaalsContact O-CG1 3.24Å; S691-I695 WeakPolarHBondContact O-CG1 3.24Å; S691-I695 PolarHBondContact O-N 2.84Å; M692-I695 PolarHBondContact O-N 3.26Å; I695-M697 VanDerWaalsContact C-N 3.34Å; I695-M697 PolarHBondContact O-N 2.76Å; I695-S698 VanDerWaalsContact O-CB 3.31Å; I695-S698 WeakPolarHBondContact O-CB 3.11Å; I695-S698 PolarHBondContact O-N 2.85Å; I695-S698 PolarHBondContact O-OG 3.18Å; I695-L699 PolarHBondContact O-N 3.36Å |
| 696 | L | 92.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 3.8 Ų | 3.8 | 3% | 0.026 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 173.9 | -174.9 | 68.1 | 0 | 0 | 0 | 111.1 | L332 M692 I693 S698 L699 | L332-L696 HydrophobicContact CD1-CD1 3.61Å; L332-L696 HydrophobicContact CD1-CG 4.43Å; L332-L696 WeakPolarHBondContact CD2-O 3.31Å; L332-L696 HydrophobicContact CG-CD1 4Å; L332-L696 HydrophobicContact CG-CG 4.31Å; M692-L696 PolarHBondContact O-N 3.04Å; I693-L696 PolarHBondContact O-N 2.9Å; L696-S698 PolarHBondContact O-N 3.34Å; L696-L699 WeakPolarHBondContact O-CB 3.04Å; L696-L699 PolarHBondContact O-N 3.08Å |
| 697 | M | 91.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.005 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -58.9 | -31.7 | 174.3 | 175.7 | -167.7 | 75.8 | 0 | 0 | 113 | L282 I693 N694 I695 L699 D700 I701 F761 T764 C765 | L282-M697 HydrophobicContact CD1-CG 3.62Å; L282-M697 HydrophobicContact CD1-SD 3.31Å; L282-M697 WeakPolarHBondContact CD1-SD 3.12Å; L282-M697 HydrophobicContact CD2-CB 4.4Å; L282-M697 HydrophobicContact CD2-CG 3.7Å; L282-M697 HydrophobicContact CD2-SD 3.49Å; L282-M697 WeakPolarHBondContact CD2-SD 3.42Å; L282-M697 HydrophobicContact CG-CG 4.28Å; L282-M697 HydrophobicContact CG-SD 3.95Å; I693-M697 WeakPolarHBondContact O-CB 3.09Å; I693-M697 PolarHBondContact O-N 3.06Å; N694-M697 HydrophobicContact CB-CE 4.4Å; N694-M697 WeakPolarHBondContact OD1-CE 3.27Å; I695-M697 VanDerWaalsContact C-N 3.34Å; I695-M697 PolarHBondContact O-N 2.76Å; M697-L699 VanDerWaalsContact C-N 3.26Å; M697-L699 PolarHBondContact O-N 3.1Å; M697-D700 VanDerWaalsContact O-CB 3.25Å; M697-D700 WeakPolarHBondContact O-CB 3.22Å; M697-D700 PolarHBondContact O-N 3.31Å; M697-I701 HydrophobicContact CG-CD1 3.98Å; M697-I701 PolarHBondContact O-N 2.83Å; M697-I701 HydrophobicContact SD-CD1 4.43Å; M697-F761 HydrophobicContact CE-CD1 4.48Å; M697-F761 HydrophobicContact SD-CD1 4.3Å; M697-F761 HydrophobicContact SD-CE1 4.38Å; M697-T764 HydrophobicContact CE-CG2 4.07Å; M697-C765 WeakPolarHBondContact CE-SG 3.27Å |
| 698 | S | 93.6 | Very high | 92 | Very high | 1 Ų | 1 | 2.5 Ų | 2.5 | 1% | 0.007 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -64.7 | -31.3 | 179 | 80.2 | 0 | 0 | 0 | 0 | 113.5 | D673 N694 I695 L696 D700 S702 | D673-S698 PolarHBondContact OD1-OG 2.91Å; N694-S698 PolarHBondContact O-N 3.07Å; I695-S698 VanDerWaalsContact O-CB 3.31Å; I695-S698 WeakPolarHBondContact O-CB 3.11Å; I695-S698 PolarHBondContact O-N 2.85Å; I695-S698 PolarHBondContact O-OG 3.18Å; L696-S698 PolarHBondContact O-N 3.34Å; S698-D700 PolarHBondContact O-N 3.16Å; S698-S702 VanDerWaalsContact O-CB 3.28Å; S698-S702 WeakPolarHBondContact O-CB 3.27Å; S698-S702 PolarHBondContact O-N 3.36Å; S698-S702 PolarHBondContact O-OG 3.44Å |
| 699 | L | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -64.7 | -33.4 | 176.2 | -64.6 | 173.9 | 0 | 0 | 0 | 111.3 | L332 I641 I645 L648 L669 D673 I695 L696 M697 S702 I703 | L332-L699 HydrophobicContact CD1-CB 4.16Å; L332-L699 HydrophobicContact CD1-CD1 4.02Å; L332-L699 HydrophobicContact CD2-CB 3.94Å; I641-L699 HydrophobicContact CG2-CD1 4.42Å; I645-L699 HydrophobicContact CD1-CD2 4.27Å; I645-L699 HydrophobicContact CG1-CD1 4.35Å; I645-L699 HydrophobicContact CG1-CD2 3.78Å; L648-L699 HydrophobicContact CD1-CB 3.86Å; L669-L699 HydrophobicContact CD1-CB 4.22Å; L669-L699 HydrophobicContact CD1-CD2 3.69Å; L669-L699 WeakPolarHBondContact CD1-O 3.38Å; L669-L699 HydrophobicContact CD2-CD2 4.44Å; L669-L699 HydrophobicContact CG-CD2 4Å; D673-L699 HydrophobicContact CB-CD2 3.87Å; I695-L699 PolarHBondContact O-N 3.36Å; L696-L699 WeakPolarHBondContact O-CB 3.04Å; L696-L699 PolarHBondContact O-N 3.08Å; M697-L699 VanDerWaalsContact C-N 3.26Å; M697-L699 PolarHBondContact O-N 3.1Å; L699-S702 PolarHBondContact O-OG 3.21Å; L699-I703 WeakPolarHBondContact O-CB 3.29Å; L699-I703 WeakPolarHBondContact O-CG2 3.49Å; L699-I703 PolarHBondContact O-N 3.41Å |
| 700 | D | 91.8 | Very high | 92 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -69.6 | -62.9 | -179.2 | -148.1 | 40.8 | 0 | 0 | 0 | 111.6 | I286 D329 L332 F333 M697 S698 S702 I703 E704 | I286-D700 WeakPolarHBondContact CD1-OD2 3.42Å; D329-D700 VanDerWaalsContact CA-OD1 3.26Å; D329-D700 WeakPolarHBondContact CA-OD1 3.34Å; L332-D700 HydrophobicContact CD2-CB 3.51Å; L332-D700 WeakPolarHBondContact CD2-OD1 3.33Å; F333-D700 VanDerWaalsContact CE2-OD2 3.31Å; F333-D700 WeakPolarHBondContact CE2-OD2 3.43Å; M697-D700 VanDerWaalsContact O-CB 3.25Å; M697-D700 WeakPolarHBondContact O-CB 3.22Å; M697-D700 PolarHBondContact O-N 3.31Å; S698-D700 PolarHBondContact O-N 3.16Å; D700-S702 PolarHBondContact O-N 3.47Å; D700-S702 VanDerWaalsContact O-N 3.12Å; D700-I703 WeakPolarHBondContact O-CG2 3.31Å; D700-I703 PolarHBondContact O-N 3.2Å; D700-I703 VanDerWaalsContact O-N 3.09Å; D700-E704 PolarHBondContact O-N 3.49Å |
| 701 | I | 90.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 3.1 Ų | 3.1 | 1% | 0.005 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -61.9 | -33.3 | -175 | -61.4 | 168.4 | 0 | 0 | 0 | 110.8 | L282 I286 M697 Y705 T743 V768 V769 | L282-I701 HydrophobicContact CD1-CD1 4.23Å; I286-I701 HydrophobicContact CG1-CG1 4.35Å; M697-I701 HydrophobicContact CG-CD1 3.98Å; M697-I701 PolarHBondContact O-N 2.83Å; M697-I701 HydrophobicContact SD-CD1 4.43Å; I701-Y705 HydrophobicContact CG2-CE2 4.11Å; I701-Y705 VanDerWaalsContact CG2-OH 3.25Å; I701-Y705 WeakPolarHBondContact CG2-OH 3.33Å; I701-T743 HydrophobicContact CD1-CG2 4.04Å; I701-T743 HydrophobicContact CG2-CG2 4.34Å; I701-V768 HydrophobicContact CB-CG1 3.75Å; I701-V768 HydrophobicContact CG2-CG1 3.76Å; I701-V769 HydrophobicContact CG2-CG2 4.48Å |
| 702 | S | 90.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 3.8 Ų | 3.8 | 1% | 0.014 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -75 | -31.9 | 179.9 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | L669 S698 L699 D700 | L669-S702 VanDerWaalsContact CD1-OG 3.3Å; L669-S702 WeakPolarHBondContact CD1-OG 3.31Å; S698-S702 VanDerWaalsContact O-CB 3.28Å; S698-S702 WeakPolarHBondContact O-CB 3.27Å; S698-S702 PolarHBondContact O-N 3.36Å; S698-S702 PolarHBondContact O-OG 3.44Å; L699-S702 PolarHBondContact O-OG 3.21Å; D700-S702 PolarHBondContact O-N 3.47Å; D700-S702 VanDerWaalsContact O-N 3.12Å |
| 703 | I | 91.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.01 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -72.1 | -34.7 | -178.4 | -170.8 | 162.2 | 0 | 0 | 0 | 112 | L648 T652 V665 L669 L699 D700 Y705 V706 T707 | L648-I703 HydrophobicContact CB-CD1 3.67Å; L648-I703 HydrophobicContact CD1-CD1 4.18Å; L648-I703 HydrophobicContact CD1-CG2 4.45Å; L648-I703 HydrophobicContact CD2-CD1 4.09Å; L648-I703 HydrophobicContact CD2-CG2 4.41Å; L648-I703 HydrophobicContact CG-CD1 4.18Å; T652-I703 HydrophobicContact CG2-CD1 3.67Å; T652-I703 HydrophobicContact CG2-CG1 4.34Å; V665-I703 HydrophobicContact CG1-CD1 4.19Å; V665-I703 HydrophobicContact CG1-CG1 4.06Å; L669-I703 HydrophobicContact CD1-CB 4.45Å; L699-I703 WeakPolarHBondContact O-CB 3.29Å; L699-I703 WeakPolarHBondContact O-CG2 3.49Å; L699-I703 PolarHBondContact O-N 3.41Å; D700-I703 WeakPolarHBondContact O-CG2 3.31Å; D700-I703 PolarHBondContact O-N 3.2Å; D700-I703 VanDerWaalsContact O-N 3.09Å; I703-Y705 PolarHBondContact O-N 3.29Å; I703-V706 PolarHBondContact O-N 2.91Å; I703-T707 WeakPolarHBondContact CG1-OG1 3.45Å; I703-T707 WeakPolarHBondContact O-CB 3.37Å; I703-T707 PolarHBondContact O-N 3.37Å; I703-T707 PolarHBondContact O-OG1 3.07Å |
| 704 | E | 88.9 | Confident | 91.3 | Very high | 5 Ų | 5 | 6.1 Ų | 6.1 | 2% | 0.023 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -53.3 | -53.2 | -179 | -69.7 | 170.1 | -171 | 0 | 0 | 111 | T325 D700 V706 T707 H708 | T325-E704 HydrophobicContact CG2-CG 4.2Å; D700-E704 PolarHBondContact O-N 3.49Å; E704-V706 PolarHBondContact O-N 3.44Å; E704-T707 PolarHBondContact O-N 3.48Å; E704-H708 PolarHBondContact O-CD2 3.43Å; E704-H708 PolarHBondContact O-N 3.16Å |
| 705 | Y | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | -174.2 | -52.1 | -24.3 | 0 | 0 | 0 | 112.5 | I701 I703 V736 A740 | I701-Y705 HydrophobicContact CG2-CE2 4.11Å; I701-Y705 VanDerWaalsContact CG2-OH 3.25Å; I701-Y705 WeakPolarHBondContact CG2-OH 3.33Å; I703-Y705 PolarHBondContact O-N 3.29Å; Y705-V736 HydrophobicContact CD1-CG1 3.66Å; Y705-V736 HydrophobicContact CG-CG1 3.84Å; Y705-A740 HydrophobicContact CE1-CB 4.29Å; Y705-A740 HydrophobicContact CE2-CB 4.34Å; Y705-A740 WeakPolarHBondContact OH-CA 3.32Å |
| 706 | V | 93.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 2% | 0.018 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -73.1 | -41.7 | -177.5 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | V665 M668 I703 E704 C710 H775 A776 L780 | V665-V706 HydrophobicContact CB-CG1 4.46Å; V665-V706 HydrophobicContact CG2-CG1 4.02Å; M668-V706 HydrophobicContact CB-CG1 3.96Å; M668-V706 HydrophobicContact CB-CG2 4.1Å; M668-V706 HydrophobicContact CG-CG1 3.98Å; I703-V706 PolarHBondContact O-N 2.91Å; E704-V706 PolarHBondContact O-N 3.44Å; V706-C710 WeakPolarHBondContact O-CB 3.38Å; V706-C710 PolarHBondContact O-N 3.04Å; V706-H775 HydrophobicContact CG2-CB 4.49Å; V706-A776 HydrophobicContact CG2-CB 4.19Å; V706-L780 HydrophobicContact CG1-CD1 4.3Å; V706-L780 HydrophobicContact CG1-CD2 3.97Å |
| 707 | T | 91.7 | Very high | 88.9 | Confident | 5 Ų | 5 | 17.2 Ų | 17.2 | 3% | 0.031 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.5 | -42 | -175.1 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | L324 T652 I656 I703 E704 I709 C710 H711 | L324-T707 HydrophobicContact CD2-CG2 3.43Å; L324-T707 VanDerWaalsContact CD2-CG2 3.43Å; L324-T707 HydrophobicContact CG-CG2 4.2Å; T652-T707 HydrophobicContact CG2-CG2 4.09Å; I656-T707 HydrophobicContact CD1-CG2 4.35Å; I703-T707 WeakPolarHBondContact CG1-OG1 3.45Å; I703-T707 WeakPolarHBondContact O-CB 3.37Å; I703-T707 PolarHBondContact O-N 3.37Å; I703-T707 PolarHBondContact O-OG1 3.07Å; E704-T707 PolarHBondContact O-N 3.48Å; T707-I709 PolarHBondContact O-N 3.16Å; T707-C710 PolarHBondContact O-N 3.02Å; T707-H711 WeakPolarHBondContact O-CB 3.23Å; T707-H711 PolarHBondContact O-N 3.46Å |
| 708 | H | 89.5 | Confident | 87.5 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 177.1 | -75 | -47.8 | 0 | 0 | 0 | 112.6 | D289 T325 E704 H712 V732 V736 | D289-H708 IonicContact OD2-NE2 3.99Å; T325-H708 VanDerWaalsContact CG2-CE1 3.49Å; T325-H708 WeakPolarHBondContact CG2-CE1 3.49Å; T325-H708 WeakPolarHBondContact CG2-NE2 3.29Å; E704-H708 PolarHBondContact O-CD2 3.43Å; E704-H708 PolarHBondContact O-N 3.16Å; H708-H712 WeakPolarHBondContact O-CB 3.49Å; H708-H712 PolarHBondContact O-N 2.87Å; H708-V732 HydrophobicContact CB-CB 4.4Å; H708-V732 HydrophobicContact CB-CG2 4.41Å; H708-V736 HydrophobicContact CB-CG2 4.08Å |
| 709 | I | 91.6 | Very high | 86 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -44.4 | 179.5 | -62.2 | 174.4 | 0 | 0 | 0 | 110.3 | T707 Y713 L729 V732 A776 F777 L780 | T707-I709 PolarHBondContact O-N 3.16Å; I709-Y713 VanDerWaalsContact O-CB 3.32Å; I709-Y713 WeakPolarHBondContact O-CB 3.5Å; I709-Y713 PolarHBondContact O-N 3.17Å; I709-L729 HydrophobicContact CD1-CD2 4.4Å; I709-V732 HydrophobicContact CG1-CG2 4.15Å; I709-A776 HydrophobicContact CD1-CB 4.15Å; I709-A776 WeakPolarHBondContact CD1-O 3.17Å; I709-F777 HydrophobicContact CD1-CE1 4.29Å; I709-F777 HydrophobicContact CD1-CE2 4.45Å; I709-F777 HydrophobicContact CD1-CZ 4.19Å; I709-L780 HydrophobicContact CB-CD2 3.82Å; I709-L780 HydrophobicContact CG2-CD2 3.73Å |
| 710 | C | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.1 | -47.4 | -178 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | I656 V665 V706 T707 H712 Y713 F714 L780 | I656-C710 HydrophobicContact CD1-CB 4.41Å; V665-C710 HydrophobicContact CG2-CB 3.96Å; V706-C710 WeakPolarHBondContact O-CB 3.38Å; V706-C710 PolarHBondContact O-N 3.04Å; T707-C710 PolarHBondContact O-N 3.02Å; C710-H712 PolarHBondContact O-N 2.84Å; C710-Y713 PolarHBondContact O-N 3.35Å; C710-F714 WeakPolarHBondContact O-CD2 3.35Å; C710-F714 PolarHBondContact O-N 3.34Å; C710-F714 VanDerWaalsContact O-N 3.09Å; C710-F714 VanDerWaalsContact SG-CE2 3.56Å; C710-L780 HydrophobicContact CB-CD2 4.49Å |
| 711 | H | 88.8 | Confident | 85.2 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 177.7 | 174.9 | -93.8 | 0 | 0 | 0 | 111.1 | D4 I656 T707 Y713 R715 | D4-H711 IonicContact OD1-CE1 3.22Å; D4-H711 PolarHBondContact OD1-CE1 3.05Å; D4-H711 VanDerWaalsContact OD1-CE1 3.31Å; D4-H711 IonicContact OD1-NE2 3.52Å; D4-H711 PolarHBondContact OD1-NE2 3Å; I656-H711 HydrophobicContact CD1-CB 4.37Å; I656-H711 HydrophobicContact CG1-CB 4.09Å; T707-H711 WeakPolarHBondContact O-CB 3.23Å; T707-H711 PolarHBondContact O-N 3.46Å; H711-Y713 VanDerWaalsContact C-N 3.34Å; H711-Y713 PolarHBondContact O-N 2.67Å; H711-R715 WeakPolarHBondContact O-CB 3.44Å; H711-R715 PolarHBondContact O-N 3.35Å |
| 712 | H | 88.1 | Confident | 85 | Confident | 17 Ų | 17 | 32 Ų | 32 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 177.6 | -164.6 | -77.7 | 0 | 0 | 0 | 111.9 | H708 C710 F714 R715 V716 D727 S728 V732 | H708-H712 WeakPolarHBondContact O-CB 3.49Å; H708-H712 PolarHBondContact O-N 2.87Å; C710-H712 PolarHBondContact O-N 2.84Å; H712-F714 PolarHBondContact O-N 2.74Å; H712-R715 PolarHBondContact CD2-NH2 3.41Å; H712-R715 PolarHBondContact NE2-NH2 2.92Å; H712-R715 VanDerWaalsContact NE2-NH2 3.1Å; H712-R715 PolarHBondContact O-N 2.77Å; H712-V716 PolarHBondContact O-N 2.9Å; H712-D727 IonicContact CE1-OD2 2.97Å; H712-D727 PolarHBondContact CE1-OD2 2.91Å; H712-S728 VanDerWaalsContact C-OG 3.27Å; H712-S728 VanDerWaalsContact ND1-CA 3.31Å; H712-S728 WeakPolarHBondContact ND1-CA 3.49Å; H712-S728 PolarHBondContact ND1-OG 3.46Å; H712-V732 HydrophobicContact CB-CG2 4.36Å |
| 713 | Y | 90.6 | Very high | 84.9 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | -179.3 | 178.1 | -88.7 | 0 | 0 | 0 | 112.8 | I709 C710 H711 R715 G721 N724 L725 S728 L784 | I709-Y713 VanDerWaalsContact O-CB 3.32Å; I709-Y713 WeakPolarHBondContact O-CB 3.5Å; I709-Y713 PolarHBondContact O-N 3.17Å; C710-Y713 PolarHBondContact O-N 3.35Å; H711-Y713 VanDerWaalsContact C-N 3.34Å; H711-Y713 PolarHBondContact O-N 2.67Å; Y713-R715 PolarHBondContact O-N 3.45Å; Y713-G721 VanDerWaalsContact CE2-O 3.27Å; Y713-G721 WeakPolarHBondContact CE2-O 3.25Å; Y713-G721 WeakPolarHBondContact OH-CA 3.28Å; Y713-N724 HydrophobicContact CD2-CB 3.79Å; Y713-N724 HydrophobicContact CE2-CB 3.63Å; Y713-L725 HydrophobicContact CD2-CB 4.08Å; Y713-L725 HydrophobicContact CE2-CB 3.96Å; Y713-S728 WeakPolarHBondContact CA-OG 3.36Å; Y713-S728 PolarHBondContact N-OG 2.86Å; Y713-L784 HydrophobicContact CD1-CD1 4.28Å; Y713-L784 HydrophobicContact CD1-CD2 3.73Å; Y713-L784 HydrophobicContact CD1-CG 4.45Å; Y713-L784 HydrophobicContact CD2-CB 4.41Å; Y713-L784 HydrophobicContact CD2-CD1 3.95Å; Y713-L784 HydrophobicContact CE1-CB 4.36Å; Y713-L784 HydrophobicContact CE1-CD2 3.82Å; Y713-L784 HydrophobicContact CE2-CB 4.03Å; Y713-L784 HydrophobicContact CE2-CD1 4.4Å; Y713-L784 HydrophobicContact CG-CD1 3.87Å; Y713-L784 HydrophobicContact CG-CD2 4.2Å; Y713-L784 HydrophobicContact CG-CG 4.49Å; Y713-L784 PolarHBondContact OH-O 3.49Å |
| 714 | F | 88.6 | Confident | 84.8 | Confident | 47 Ų | 47 | 34.4 Ų | 34.4 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77 | -10.8 | -178.8 | -76.1 | -71.9 | 0 | 0 | 0 | 113.6 | I656 S658 C710 H712 L784 | I656-F714 HydrophobicContact CG2-CD2 4.37Å; S658-F714 VanDerWaalsContact CB-CD1 3.41Å; S658-F714 WeakPolarHBondContact OG-CD1 3.44Å; S658-F714 WeakPolarHBondContact OG-CE1 3.3Å; C710-F714 WeakPolarHBondContact O-CD2 3.35Å; C710-F714 PolarHBondContact O-N 3.34Å; C710-F714 VanDerWaalsContact O-N 3.09Å; C710-F714 VanDerWaalsContact SG-CE2 3.56Å; H712-F714 PolarHBondContact O-N 2.74Å; F714-L784 HydrophobicContact CE2-CD2 3.83Å; F714-L784 HydrophobicContact CZ-CD2 4.03Å |
| 715 | R | 84.7 | Confident | 84.9 | Confident | 47 Ų | 47 | 34.1 Ų | 34.1 | 18% | 0.177 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -84.4 | -32.3 | 177.5 | -172.7 | 179.7 | 70.2 | 158.7 | 10.8 | 113.2 | E317 H711 H712 Y713 K717 | E317-R715 IonicContact OE2-CZ 3.9Å; E317-R715 IonicContact OE2-NH1 3.11Å; E317-R715 PolarHBondContact OE2-NH1 3.26Å; E317-R715 IonicContact OE2-NH2 3.31Å; E317-R715 PolarHBondContact OE2-NH2 3.1Å; H711-R715 WeakPolarHBondContact O-CB 3.44Å; H711-R715 PolarHBondContact O-N 3.35Å; H712-R715 PolarHBondContact CD2-NH2 3.41Å; H712-R715 PolarHBondContact NE2-NH2 2.92Å; H712-R715 VanDerWaalsContact NE2-NH2 3.1Å; H712-R715 PolarHBondContact O-N 2.77Å; Y713-R715 PolarHBondContact O-N 3.45Å; R715-K717 PolarHBondContact O-N 3.39Å; R715-K717 VanDerWaalsContact O-N 3.14Å |
| 716 | V | 81.1 | Confident | 84.8 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 15% | 0.152 | 18% | 0.183 | C | C | . | . | trans | -74.7 | 102.5 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | H712 D718 K719 N724 D727 | H712-V716 PolarHBondContact O-N 2.9Å; V716-D718 PolarHBondContact O-N 3.49Å; V716-K719 HydrophobicContact CG1-CD 4.29Å; V716-K719 HydrophobicContact CG1-CG 4.23Å; V716-N724 WeakPolarHBondContact CG1-OD1 3.27Å; V716-N724 PolarHBondContact O-ND2 3.47Å; V716-N724 PolarHBondContact O-OD1 3.49Å; V716-D727 WeakPolarHBondContact CG2-OD2 3.06Å | ||
| 717 | K | 65 | Low | 84.5 | Confident | 173 Ų | 173 | 39.2 Ų | 39.2 | 75% | 0.752 | 20% | 0.195 | S | C | * | . | trans | -83.2 | -3.6 | -165.8 | -80 | -173 | 177.2 | -178.2 | 0 | 116.9 | R715 | R715-K717 PolarHBondContact O-N 3.39Å; R715-K717 VanDerWaalsContact O-N 3.14Å | ||
| 718 | D | 61 | Low | 84.5 | Confident | 152 Ų | 152 | 39 Ų | 39 | 81% | 0.813 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -135.4 | 19 | -158.8 | -60.3 | -52.7 | 0 | 0 | 0 | 116.4 | V716 | V716-D718 PolarHBondContact O-N 3.49Š|
| 719 | K | 63.4 | Low | 84.6 | Confident | 104 Ų | 104 | 38.6 Ų | 38.6 | 45% | 0.452 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -130.9 | 164.4 | -179.8 | -36.5 | -179.3 | -173.6 | 172 | 0 | 114.3 | V716 A723 N724 D727 | V716-K719 HydrophobicContact CG1-CD 4.29Å; V716-K719 HydrophobicContact CG1-CG 4.23Å; K719-A723 HydrophobicContact CB-CB 3.54Å; K719-A723 HydrophobicContact CD-CB 3.86Å; K719-A723 HydrophobicContact CG-CB 4.34Å; K719-N724 WeakPolarHBondContact CB-OD1 3.5Å; K719-D727 IonicContact NZ-OD1 3.52Å; K719-D727 PolarHBondContact NZ-OD1 3.12Å |
| 720 | D | 83.1 | Confident | 84.3 | Confident | 43 Ų | 43 | 41.4 Ų | 41.4 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | trans | -50.7 | 149 | 165.6 | 177.1 | 33.1 | 0 | 0 | 0 | 110.1 | R426 A722 A723 N724 T790 | R426-D720 IonicContact CZ-OD2 2.92Å; R426-D720 IonicContact NH2-OD2 3.11Å; R426-D720 PolarHBondContact NH2-OD2 3.36Å; D720-A722 PolarHBondContact O-N 3.02Å; D720-A722 VanDerWaalsContact O-N 3.13Å; D720-A723 HydrophobicContact CB-CB 4.34Å; D720-A723 WeakPolarHBondContact O-CA 3.43Å; D720-A723 WeakPolarHBondContact O-CB 3.23Å; D720-A723 PolarHBondContact O-N 3.11Å; D720-N724 PolarHBondContact O-N 2.92Å; D720-T790 WeakPolarHBondContact OD1-CA 3.49Å | ||
| 721 | G | 84.6 | Confident | 84 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.7 | -38.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y713 N724 L725 | Y713-G721 VanDerWaalsContact CE2-O 3.27Å; Y713-G721 WeakPolarHBondContact CE2-O 3.25Å; Y713-G721 WeakPolarHBondContact OH-CA 3.28Å; G721-N724 PolarHBondContact O-N 3.45Å; G721-L725 PolarHBondContact O-N 3.45Å |
| 722 | A | 86.9 | Confident | 84 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.2 | -32.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | I422 D720 N724 L725 H726 L785 | I422-A722 HydrophobicContact CG2-CB 3.93Å; D720-A722 PolarHBondContact O-N 3.02Å; D720-A722 VanDerWaalsContact O-N 3.13Å; A722-N724 VanDerWaalsContact C-N 3.34Å; A722-L725 PolarHBondContact O-N 3.46Å; A722-H726 VanDerWaalsContact O-CB 3.27Å; A722-H726 WeakPolarHBondContact O-CB 3.45Å; A722-H726 PolarHBondContact O-N 3.13Å; A722-L785 HydrophobicContact CB-CD2 3.66Å |
| 723 | A | 87.2 | Confident | 84.1 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.5 | -34 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | K719 D720 D727 | K719-A723 HydrophobicContact CB-CB 3.54Å; K719-A723 HydrophobicContact CD-CB 3.86Å; K719-A723 HydrophobicContact CG-CB 4.34Å; D720-A723 HydrophobicContact CB-CB 4.34Å; D720-A723 WeakPolarHBondContact O-CA 3.43Å; D720-A723 WeakPolarHBondContact O-CB 3.23Å; D720-A723 PolarHBondContact O-N 3.11Å; A723-D727 WeakPolarHBondContact O-CB 3.09Å; A723-D727 PolarHBondContact O-N 3.09Å |
| 724 | N | 89.4 | Confident | 84.1 | Confident | 18 Ų | 18 | 43 Ų | 43 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -46 | 169.9 | -78.6 | 6.6 | 0 | 0 | 0 | 111.7 | Y713 V716 K719 D720 G721 A722 H726 D727 S728 | Y713-N724 HydrophobicContact CD2-CB 3.79Å; Y713-N724 HydrophobicContact CE2-CB 3.63Å; V716-N724 WeakPolarHBondContact CG1-OD1 3.27Å; V716-N724 PolarHBondContact O-ND2 3.47Å; V716-N724 PolarHBondContact O-OD1 3.49Å; K719-N724 WeakPolarHBondContact CB-OD1 3.5Å; D720-N724 PolarHBondContact O-N 2.92Å; G721-N724 PolarHBondContact O-N 3.45Å; A722-N724 VanDerWaalsContact C-N 3.34Å; N724-H726 VanDerWaalsContact C-N 3.34Å; N724-H726 PolarHBondContact O-N 2.82Å; N724-D727 PolarHBondContact O-N 3.4Å; N724-S728 PolarHBondContact O-N 3.29Å; N724-S728 PolarHBondContact O-OG 3.43Å |
| 725 | L | 91.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.7 | 176.7 | 64.5 | 0 | 0 | 0 | 112 | I422 Y713 G721 A722 S728 L729 P781 L784 L785 | I422-L725 HydrophobicContact CD1-CD2 4.49Å; I422-L725 HydrophobicContact CD1-CG 4.33Å; I422-L725 HydrophobicContact CG1-CD2 4.28Å; Y713-L725 HydrophobicContact CD2-CB 4.08Å; Y713-L725 HydrophobicContact CE2-CB 3.96Å; G721-L725 PolarHBondContact O-N 3.45Å; A722-L725 PolarHBondContact O-N 3.46Å; L725-S728 PolarHBondContact O-N 3.38Å; L725-L729 HydrophobicContact CD1-CD1 4.14Å; L725-L729 HydrophobicContact CD1-CG 4.08Å; L725-L729 HydrophobicContact CG-CD1 4.04Å; L725-L729 HydrophobicContact CG-CG 4.37Å; L725-L729 WeakPolarHBondContact O-CG 3.39Å; L725-L729 PolarHBondContact O-N 3.33Å; L725-P781 HydrophobicContact CD1-CB 4.08Å; L725-P781 HydrophobicContact CD1-CG 4.13Å; L725-P781 HydrophobicContact CD2-CB 3.78Å; L725-L784 HydrophobicContact CD1-CD1 4.31Å; L725-L785 HydrophobicContact CD2-CD1 3.92Å; L725-L785 HydrophobicContact CD2-CD2 3.95Å; L725-L785 HydrophobicContact CD2-CG 3.68Å |
| 726 | H | 89.7 | Confident | 84.6 | Confident | 57 Ų | 57 | 38.7 Ų | 38.7 | 26% | 0.264 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.5 | -49.5 | 176.1 | -178.3 | -92.7 | 0 | 0 | 0 | 111.7 | D419 I422 A722 N724 S728 L729 M730 | D419-H726 IonicContact OD1-CD2 3.7Å; D419-H726 IonicContact OD1-CE1 2.87Å; D419-H726 IonicContact OD1-NE2 2.66Å; D419-H726 PolarHBondContact OD1-NE2 3.39Å; I422-H726 HydrophobicContact CD1-CB 3.46Å; I422-H726 VanDerWaalsContact CD1-CB 3.46Å; A722-H726 VanDerWaalsContact O-CB 3.27Å; A722-H726 WeakPolarHBondContact O-CB 3.45Å; A722-H726 PolarHBondContact O-N 3.13Å; N724-H726 VanDerWaalsContact C-N 3.34Å; N724-H726 PolarHBondContact O-N 2.82Å; H726-S728 VanDerWaalsContact C-N 3.29Å; H726-S728 PolarHBondContact O-N 3.39Å; H726-L729 PolarHBondContact O-N 3.22Å; H726-M730 WeakPolarHBondContact O-CB 3.38Å; H726-M730 VanDerWaalsContact O-CG 3.28Å; H726-M730 WeakPolarHBondContact O-CG 3.45Å; H726-M730 PolarHBondContact O-N 3.04Å |
| 727 | D | 87.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 39.6 Ų | 39.6 | 28% | 0.278 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58 | -43.3 | 177.7 | -155.3 | 78.4 | 0 | 0 | 0 | 111.3 | H712 V716 K719 A723 N724 M730 A731 | H712-D727 IonicContact CE1-OD2 2.97Å; H712-D727 PolarHBondContact CE1-OD2 2.91Å; V716-D727 WeakPolarHBondContact CG2-OD2 3.06Å; K719-D727 IonicContact NZ-OD1 3.52Å; K719-D727 PolarHBondContact NZ-OD1 3.12Å; A723-D727 WeakPolarHBondContact O-CB 3.09Å; A723-D727 PolarHBondContact O-N 3.09Å; N724-D727 PolarHBondContact O-N 3.4Å; D727-M730 PolarHBondContact O-N 3.18Å; D727-A731 WeakPolarHBondContact O-CB 3.38Å; D727-A731 PolarHBondContact O-N 3.35Å |
| 728 | S | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -47.5 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | H712 Y713 N724 L725 H726 M730 A731 V732 | H712-S728 VanDerWaalsContact C-OG 3.27Å; H712-S728 VanDerWaalsContact ND1-CA 3.31Å; H712-S728 WeakPolarHBondContact ND1-CA 3.49Å; H712-S728 PolarHBondContact ND1-OG 3.46Å; Y713-S728 WeakPolarHBondContact CA-OG 3.36Å; Y713-S728 PolarHBondContact N-OG 2.86Å; N724-S728 PolarHBondContact O-N 3.29Å; N724-S728 PolarHBondContact O-OG 3.43Å; L725-S728 PolarHBondContact O-N 3.38Å; H726-S728 VanDerWaalsContact C-N 3.29Å; H726-S728 PolarHBondContact O-N 3.39Å; S728-M730 VanDerWaalsContact C-N 3.27Å; S728-M730 PolarHBondContact O-N 3.09Å; S728-A731 PolarHBondContact O-N 3.38Å; S728-V732 WeakPolarHBondContact O-CG2 3.3Å; S728-V732 PolarHBondContact O-N 2.88Å |
| 729 | L | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -62.9 | -37.1 | 178.7 | -70 | 175.3 | 0 | 0 | 0 | 111.4 | F418 Y421 I422 I709 L725 H726 G733 F777 | F418-L729 HydrophobicContact CB-CB 4.47Å; F418-L729 HydrophobicContact CD1-CB 4.33Å; F418-L729 HydrophobicContact CD1-CD1 4.36Å; F418-L729 HydrophobicContact CD2-CB 3.94Å; F418-L729 HydrophobicContact CE2-CB 4.2Å; F418-L729 WeakPolarHBondContact CE2-O 3.33Å; F418-L729 HydrophobicContact CG-CB 4.02Å; Y421-L729 HydrophobicContact CD1-CD1 4.03Å; Y421-L729 HydrophobicContact CE1-CD1 4.35Å; I422-L729 HydrophobicContact CD1-CD1 4.17Å; I422-L729 HydrophobicContact CG1-CD1 4.14Å; I709-L729 HydrophobicContact CD1-CD2 4.4Å; L725-L729 HydrophobicContact CD1-CD1 4.14Å; L725-L729 HydrophobicContact CD1-CG 4.08Å; L725-L729 HydrophobicContact CG-CD1 4.04Å; L725-L729 HydrophobicContact CG-CG 4.37Å; L725-L729 WeakPolarHBondContact O-CG 3.39Å; L725-L729 PolarHBondContact O-N 3.33Å; H726-L729 PolarHBondContact O-N 3.22Å; L729-G733 WeakPolarHBondContact O-CA 3.24Å; L729-G733 PolarHBondContact O-N 2.92Å; L729-F777 HydrophobicContact CD2-CD1 4.1Å; L729-F777 HydrophobicContact CD2-CE1 3.97Å |
| 730 | M | 86.6 | Confident | 89.3 | Confident | 59 Ų | 59 | 19.4 Ų | 19.4 | 29% | 0.291 | 11% | 0.108 | S | C | . | . | I | π-helix | trans | -68.4 | -34.8 | 175.3 | -70.1 | -56.1 | -62 | 0 | 0 | 113.3 | G415 F418 H726 D727 S728 | G415-M730 WeakPolarHBondContact CA-SD 3.5Å; F418-M730 HydrophobicContact CB-SD 4.35Å; F418-M730 HydrophobicContact CD2-SD 3.95Å; H726-M730 WeakPolarHBondContact O-CB 3.38Å; H726-M730 VanDerWaalsContact O-CG 3.28Å; H726-M730 WeakPolarHBondContact O-CG 3.45Å; H726-M730 PolarHBondContact O-N 3.04Å; D727-M730 PolarHBondContact O-N 3.18Å; S728-M730 VanDerWaalsContact C-N 3.27Å; S728-M730 PolarHBondContact O-N 3.09Å |
| 731 | A | 85.1 | Confident | 89.8 | Confident | 15 Ų | 15 | 20.7 Ų | 20.7 | 12% | 0.124 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -78.8 | -50.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q296 L300 D727 S728 | Q296-A731 WeakPolarHBondContact CG-O 3.34Å; L300-A731 HydrophobicContact CD1-CB 4.48Å; D727-A731 WeakPolarHBondContact O-CB 3.38Å; D727-A731 PolarHBondContact O-N 3.35Å; S728-A731 PolarHBondContact O-N 3.38Å |
| 732 | V | 89.3 | Confident | 90.3 | Very high | 14 Ų | 14 | 20.4 Ų | 20.4 | 9% | 0.085 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -119.4 | -13.6 | -169.7 | -61.8 | 0 | 0 | 0 | 0 | 114.4 | L293 H708 I709 H712 S728 W734 P735 V736 | L293-V732 HydrophobicContact CD1-CG1 4.22Å; H708-V732 HydrophobicContact CB-CB 4.4Å; H708-V732 HydrophobicContact CB-CG2 4.41Å; I709-V732 HydrophobicContact CG1-CG2 4.15Å; H712-V732 HydrophobicContact CB-CG2 4.36Å; S728-V732 WeakPolarHBondContact O-CG2 3.3Å; S728-V732 PolarHBondContact O-N 2.88Å; V732-W734 PolarHBondContact O-N 3.07Å; V732-P735 VanDerWaalsContact O-CD 3.31Å; V732-P735 WeakPolarHBondContact O-CD 3.48Å; V732-V736 VanDerWaalsContact O-CG2 3.27Å; V732-V736 WeakPolarHBondContact O-CG2 3.14Å; V732-V736 PolarHBondContact O-N 3.48Å; V732-V736 VanDerWaalsContact O-N 3.14Å |
| 733 | G | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -64.5 | -37 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L729 I737 F777 | L729-G733 WeakPolarHBondContact O-CA 3.24Å; L729-G733 PolarHBondContact O-N 2.92Å; G733-I737 WeakPolarHBondContact O-CG1 3.33Å; G733-I737 PolarHBondContact O-N 3.41Å; G733-F777 WeakPolarHBondContact O-CZ 3.48Å |
| 734 | W | 89.7 | Confident | 90.9 | Very high | 46 Ų | 46 | 20.1 Ų | 20.1 | 17% | 0.174 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.9 | -49.5 | 176.1 | 179.6 | -110.1 | 0 | 0 | 0 | 113.2 | F410 V414 V732 V736 I737 Q738 | F410-W734 HydrophobicContact CD1-CZ2 4.22Å; F410-W734 AromaticContact CE1-CD2 3.81Å; F410-W734 HydrophobicContact CE1-CD2 3.81Å; F410-W734 AromaticContact CE1-CE2 3.41Å; F410-W734 VanDerWaalsContact CE1-CE2 3.41Å; F410-W734 AromaticContact CE1-CE3 3.91Å; F410-W734 HydrophobicContact CE1-CE3 3.91Å; F410-W734 AromaticContact CE1-CH2 3.34Å; F410-W734 HydrophobicContact CE1-CH2 3.34Å; F410-W734 AromaticContact CE1-CZ2 3.18Å; F410-W734 HydrophobicContact CE1-CZ2 3.18Å; F410-W734 AromaticContact CE1-CZ3 3.69Å; F410-W734 HydrophobicContact CE1-CZ3 3.69Å; F410-W734 HydrophobicContact CE2-CH2 4.49Å; F410-W734 HydrophobicContact CZ-CE3 4.31Å; F410-W734 AromaticContact CZ-CH2 3.23Å; F410-W734 HydrophobicContact CZ-CH2 3.23Å; F410-W734 AromaticContact CZ-CZ2 3.54Å; F410-W734 HydrophobicContact CZ-CZ2 3.54Å; F410-W734 AromaticContact CZ-CZ3 3.64Å; F410-W734 HydrophobicContact CZ-CZ3 3.64Å; V414-W734 HydrophobicContact CG1-CB 4.28Å; V414-W734 HydrophobicContact CG1-CE3 4.36Å; V414-W734 HydrophobicContact CG2-CD2 4.17Å; V414-W734 HydrophobicContact CG2-CE3 3.77Å; V414-W734 HydrophobicContact CG2-CZ3 4.24Å; V732-W734 PolarHBondContact O-N 3.07Å; W734-V736 VanDerWaalsContact C-N 3.29Å; W734-V736 PolarHBondContact O-N 3.24Å; W734-I737 HydrophobicContact CE3-CB 4.39Å; W734-I737 HydrophobicContact CE3-CG2 4.43Å; W734-I737 HydrophobicContact CZ3-CB 4.49Å; W734-I737 HydrophobicContact CZ3-CG2 4.04Å; W734-I737 PolarHBondContact O-N 3.36Å; W734-I737 VanDerWaalsContact O-N 3.1Å; W734-Q738 HydrophobicContact CD2-CG 4.14Å; W734-Q738 VanDerWaalsContact CE2-CG 3.48Å; W734-Q738 HydrophobicContact CG-CG 4.49Å; W734-Q738 HydrophobicContact CH2-CG 4.36Å; W734-Q738 HydrophobicContact CZ2-CG 3.62Å; W734-Q738 WeakPolarHBondContact O-CG 3.26Å; W734-Q738 PolarHBondContact O-N 3.35Å |
| 735 | P | 90.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.013 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -49.5 | -47.3 | 171.7 | -30.8 | 34.6 | 0 | 0 | 0 | 113.6 | F292 L293 Q296 V732 I737 Q738 G739 | F292-P735 HydrophobicContact CB-CB 4.31Å; L293-P735 HydrophobicContact CD1-CB 4.4Å; Q296-P735 HydrophobicContact CB-CG 3.51Å; Q296-P735 HydrophobicContact CG-CG 3.55Å; V732-P735 VanDerWaalsContact O-CD 3.31Å; V732-P735 WeakPolarHBondContact O-CD 3.48Å; P735-I737 VanDerWaalsContact C-N 3.3Å; P735-I737 PolarHBondContact O-N 2.79Å; P735-Q738 CarbonylContact O-C 3.5Å; P735-Q738 WeakPolarHBondContact O-CA 3.13Å; P735-Q738 WeakPolarHBondContact O-CB 3.33Å; P735-Q738 PolarHBondContact O-N 3.02Å; P735-G739 PolarHBondContact O-N 2.93Å |
| 736 | V | 92.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | Y705 H708 V732 W734 A740 F777 | Y705-V736 HydrophobicContact CD1-CG1 3.66Å; Y705-V736 HydrophobicContact CG-CG1 3.84Å; H708-V736 HydrophobicContact CB-CG2 4.08Å; V732-V736 VanDerWaalsContact O-CG2 3.27Å; V732-V736 WeakPolarHBondContact O-CG2 3.14Å; V732-V736 PolarHBondContact O-N 3.48Å; V732-V736 VanDerWaalsContact O-N 3.14Å; W734-V736 VanDerWaalsContact C-N 3.29Å; W734-V736 PolarHBondContact O-N 3.24Å; V736-A740 WeakPolarHBondContact O-CB 3.26Å; V736-A740 PolarHBondContact O-N 3.02Å; V736-F777 HydrophobicContact CB-CE2 4.37Å; V736-F777 HydrophobicContact CB-CZ 4.15Å; V736-F777 HydrophobicContact CG1-CE2 3.66Å; V736-F777 HydrophobicContact CG1-CZ 3.93Å |
| 737 | I | 92.4 | Very high | 91.4 | Very high | 44 Ų | 44 | 18.9 Ų | 18.9 | 23% | 0.226 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | 174.9 | -66.9 | 167.3 | 0 | 0 | 0 | 111.1 | F418 G733 W734 P735 I741 F777 | F418-I737 HydrophobicContact CZ-CD1 4.33Å; G733-I737 WeakPolarHBondContact O-CG1 3.33Å; G733-I737 PolarHBondContact O-N 3.41Å; W734-I737 HydrophobicContact CE3-CB 4.39Å; W734-I737 HydrophobicContact CE3-CG2 4.43Å; W734-I737 HydrophobicContact CZ3-CB 4.49Å; W734-I737 HydrophobicContact CZ3-CG2 4.04Å; W734-I737 PolarHBondContact O-N 3.36Å; W734-I737 VanDerWaalsContact O-N 3.1Å; P735-I737 VanDerWaalsContact C-N 3.3Å; P735-I737 PolarHBondContact O-N 2.79Å; I737-I741 HydrophobicContact CG2-CD1 3.86Å; I737-I741 HydrophobicContact CG2-CG1 4.48Å; I737-I741 VanDerWaalsContact O-CG1 3.29Å; I737-I741 WeakPolarHBondContact O-CG1 3.34Å; I737-I741 PolarHBondContact O-N 3.03Å; I737-F777 HydrophobicContact CD1-CE1 4.1Å; I737-F777 HydrophobicContact CD1-CZ 3.95Å; I737-F777 HydrophobicContact CG1-CE1 4.24Å; I737-F777 HydrophobicContact CG1-CE2 3.88Å; I737-F777 HydrophobicContact CG1-CZ 3.58Å |
| 738 | Q | 91.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 175.7 | -66.1 | -176.7 | -82.1 | 0 | 0 | 111.5 | F228 S232 F292 W734 P735 I741 A742 | F228-Q738 WeakPolarHBondContact CE1-O 3.35Å; S232-Q738 PolarHBondContact OG-NE2 3.2Å; F292-Q738 HydrophobicContact CB-CB 4.37Å; F292-Q738 HydrophobicContact CD1-CB 4.05Å; F292-Q738 HydrophobicContact CD2-CB 3.73Å; F292-Q738 HydrophobicContact CE1-CB 4.25Å; F292-Q738 HydrophobicContact CE2-CB 3.94Å; F292-Q738 HydrophobicContact CG-CB 3.79Å; F292-Q738 HydrophobicContact CZ-CB 4.2Å; W734-Q738 HydrophobicContact CD2-CG 4.14Å; W734-Q738 VanDerWaalsContact CE2-CG 3.48Å; W734-Q738 HydrophobicContact CG-CG 4.49Å; W734-Q738 HydrophobicContact CH2-CG 4.36Å; W734-Q738 HydrophobicContact CZ2-CG 3.62Å; W734-Q738 WeakPolarHBondContact O-CG 3.26Å; W734-Q738 PolarHBondContact O-N 3.35Å; P735-Q738 CarbonylContact O-C 3.5Å; P735-Q738 WeakPolarHBondContact O-CA 3.13Å; P735-Q738 WeakPolarHBondContact O-CB 3.33Å; P735-Q738 PolarHBondContact O-N 3.02Å; Q738-I741 PolarHBondContact O-N 3.41Å; Q738-A742 VanDerWaalsContact O-CB 3.26Å; Q738-A742 WeakPolarHBondContact O-CB 3.29Å; Q738-A742 PolarHBondContact O-N 3.07Å |
| 739 | G | 92.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.9 | -52 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D289 P735 I741 A742 T743 | D289-G739 VanDerWaalsContact OD1-CA 3.32Å; D289-G739 WeakPolarHBondContact OD1-CA 3.39Å; P735-G739 PolarHBondContact O-N 2.93Å; G739-I741 PolarHBondContact O-N 3.47Å; G739-A742 CarbonylContact O-C 3.6Å; G739-A742 WeakPolarHBondContact O-CA 3.22Å; G739-A742 WeakPolarHBondContact O-CB 3.31Å; G739-A742 PolarHBondContact O-N 2.8Å; G739-T743 PolarHBondContact O-N 3.49Å; G739-T743 PolarHBondContact O-OG1 3.13Å |
| 740 | A | 93.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.1 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y705 V736 V744 V769 I773 | Y705-A740 HydrophobicContact CE1-CB 4.29Å; Y705-A740 HydrophobicContact CE2-CB 4.34Å; Y705-A740 WeakPolarHBondContact OH-CA 3.32Å; V736-A740 WeakPolarHBondContact O-CB 3.26Å; V736-A740 PolarHBondContact O-N 3.02Å; A740-V744 PolarHBondContact O-N 2.77Å; A740-V769 HydrophobicContact CB-CG1 3.92Å; A740-I773 HydrophobicContact CB-CD1 3.72Å; A740-I773 HydrophobicContact CB-CG1 3.91Å |
| 741 | I | 93.8 | Very high | 92.1 | Very high | 69 Ų | 69 | 18.6 Ų | 18.6 | 35% | 0.354 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -67.6 | -42 | 174.9 | -66.1 | 166.9 | 0 | 0 | 0 | 110.5 | F228 I737 Q738 G739 T743 V744 L745 | F228-I741 HydrophobicContact CD2-CG2 4.15Å; F228-I741 HydrophobicContact CE1-CB 4.46Å; F228-I741 HydrophobicContact CE1-CG2 4.31Å; F228-I741 HydrophobicContact CE2-CB 4.19Å; F228-I741 HydrophobicContact CE2-CG2 3.45Å; F228-I741 VanDerWaalsContact CE2-CG2 3.45Å; F228-I741 HydrophobicContact CZ-CB 3.78Å; F228-I741 HydrophobicContact CZ-CG2 3.55Å; I737-I741 HydrophobicContact CG2-CD1 3.86Å; I737-I741 HydrophobicContact CG2-CG1 4.48Å; I737-I741 VanDerWaalsContact O-CG1 3.29Å; I737-I741 WeakPolarHBondContact O-CG1 3.34Å; I737-I741 PolarHBondContact O-N 3.03Å; Q738-I741 PolarHBondContact O-N 3.41Å; G739-I741 PolarHBondContact O-N 3.47Å; I741-T743 VanDerWaalsContact C-N 3.33Å; I741-T743 PolarHBondContact O-N 3Å; I741-V744 PolarHBondContact O-N 3.25Å; I741-L745 HydrophobicContact CG2-CD1 3.81Å; I741-L745 HydrophobicContact CG2-CG 4.2Å; I741-L745 WeakPolarHBondContact O-CB 3.25Å; I741-L745 WeakPolarHBondContact O-CG 3.35Å; I741-L745 PolarHBondContact O-N 3.13Å |
| 742 | A | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M225 F228 I288 F292 Q738 G739 V744 L745 G746 | M225-A742 HydrophobicContact CE-CB 3.78Å; M225-A742 HydrophobicContact SD-CB 4.47Å; F228-A742 HydrophobicContact CD1-CB 4.02Å; F228-A742 HydrophobicContact CE1-CB 3.87Å; I288-A742 HydrophobicContact CG2-CB 3.82Å; F292-A742 HydrophobicContact CE2-CB 3.85Å; F292-A742 HydrophobicContact CZ-CB 4.41Å; Q738-A742 VanDerWaalsContact O-CB 3.26Å; Q738-A742 WeakPolarHBondContact O-CB 3.29Å; Q738-A742 PolarHBondContact O-N 3.07Å; G739-A742 CarbonylContact O-C 3.6Å; G739-A742 WeakPolarHBondContact O-CA 3.22Å; G739-A742 WeakPolarHBondContact O-CB 3.31Å; G739-A742 PolarHBondContact O-N 2.8Å; A742-V744 PolarHBondContact O-N 3.08Å; A742-L745 PolarHBondContact O-N 3Å; A742-G746 PolarHBondContact O-N 2.71Å |
| 743 | T | 93.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 175.6 | -49.5 | 0 | 0 | 0 | 0 | 111.5 | A285 I701 G739 I741 G746 V747 V769 | A285-T743 HydrophobicContact CB-CG2 4.28Å; I701-T743 HydrophobicContact CD1-CG2 4.04Å; I701-T743 HydrophobicContact CG2-CG2 4.34Å; G739-T743 PolarHBondContact O-N 3.49Å; G739-T743 PolarHBondContact O-OG1 3.13Å; I741-T743 VanDerWaalsContact C-N 3.33Å; I741-T743 PolarHBondContact O-N 3Å; T743-G746 PolarHBondContact O-N 3.32Å; T743-V747 WeakPolarHBondContact O-CG2 3.14Å; T743-V747 PolarHBondContact O-N 3.42Å; T743-V747 VanDerWaalsContact O-N 3.12Å; T743-V769 HydrophobicContact CG2-CG2 3.9Å |
| 744 | V | 93.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 27.2 Ų | 27.2 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | A740 I741 A742 G746 V747 L748 V769 | A740-V744 PolarHBondContact O-N 2.77Å; I741-V744 PolarHBondContact O-N 3.25Å; A742-V744 PolarHBondContact O-N 3.08Å; V744-G746 VanDerWaalsContact C-N 3.29Å; V744-G746 PolarHBondContact O-N 2.95Å; V744-V747 WeakPolarHBondContact O-CG2 3.41Å; V744-V747 PolarHBondContact O-N 3.27Å; V744-L748 WeakPolarHBondContact O-CB 3.38Å; V744-L748 PolarHBondContact O-N 3.16Å; V744-V769 HydrophobicContact CG2-CB 3.96Å; V744-V769 HydrophobicContact CG2-CG1 3.8Å; V744-V769 HydrophobicContact CG2-CG2 3.96Å |
| 745 | L | 94.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 25.4 Ų | 25.4 | 24% | 0.241 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -34.2 | 177.2 | -71 | 177.5 | 0 | 0 | 0 | 112.3 | M225 F228 I741 A742 L748 P749 | M225-L745 HydrophobicContact SD-CB 4.3Å; F228-L745 HydrophobicContact CB-CD1 3.72Å; F228-L745 HydrophobicContact CD1-CD1 4.28Å; F228-L745 HydrophobicContact CD2-CD1 3.55Å; F228-L745 HydrophobicContact CE2-CD1 4.24Å; F228-L745 HydrophobicContact CG-CD1 3.57Å; I741-L745 HydrophobicContact CG2-CD1 3.81Å; I741-L745 HydrophobicContact CG2-CG 4.2Å; I741-L745 WeakPolarHBondContact O-CB 3.25Å; I741-L745 WeakPolarHBondContact O-CG 3.35Å; I741-L745 PolarHBondContact O-N 3.13Å; A742-L745 PolarHBondContact O-N 3Å; L745-L748 HydrophobicContact CD2-CD2 4.44Å; L745-P749 WeakPolarHBondContact O-CD 3.34Å |
| 746 | G | 92.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L221 A742 T743 V744 P749 | L221-G746 WeakPolarHBondContact CD1-O 3.34Å; A742-G746 PolarHBondContact O-N 2.71Å; T743-G746 PolarHBondContact O-N 3.32Å; V744-G746 VanDerWaalsContact C-N 3.29Å; V744-G746 PolarHBondContact O-N 2.95Å; G746-P749 WeakPolarHBondContact O-CD 3.48Å |
| 747 | V | 92.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -87.7 | -14 | 179 | -61.2 | 0 | 0 | 0 | 0 | 114.3 | T743 V744 P749 L750 F762 C765 | T743-V747 WeakPolarHBondContact O-CG2 3.14Å; T743-V747 PolarHBondContact O-N 3.42Å; T743-V747 VanDerWaalsContact O-N 3.12Å; V744-V747 WeakPolarHBondContact O-CG2 3.41Å; V744-V747 PolarHBondContact O-N 3.27Å; V747-P749 VanDerWaalsContact C-CD 3.41Å; V747-P749 VanDerWaalsContact C-N 3.34Å; V747-L750 HydrophobicContact CB-CD1 4.07Å; V747-L750 HydrophobicContact CG1-CD1 4.28Å; V747-L750 WeakPolarHBondContact O-CB 3.29Å; V747-L750 WeakPolarHBondContact O-CG 3.43Å; V747-L750 PolarHBondContact O-N 3.26Å; V747-F762 HydrophobicContact CG2-CD2 3.93Å; V747-C765 HydrophobicContact CB-CB 4.36Å; V747-C765 HydrophobicContact CG1-CB 4Å; V747-C765 HydrophobicContact CG2-CB 3.73Å |
| 748 | L | 94 | Very high | 92.4 | Very high | 54 Ų | 54 | 25 Ų | 25 | 28% | 0.283 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -53 | -42.1 | -178.7 | -176.9 | 65 | 0 | 0 | 0 | 113.7 | F224 V744 L745 L750 T751 F762 | F224-L748 HydrophobicContact CD2-CD2 4.42Å; F224-L748 HydrophobicContact CE2-CD2 4.01Å; F224-L748 HydrophobicContact CE2-CG 4.35Å; V744-L748 WeakPolarHBondContact O-CB 3.38Å; V744-L748 PolarHBondContact O-N 3.16Å; L745-L748 HydrophobicContact CD2-CD2 4.44Å; L748-L750 PolarHBondContact O-N 3.28Å; L748-L750 VanDerWaalsContact O-N 3.13Å; L748-T751 WeakPolarHBondContact O-CB 3.19Å; L748-T751 WeakPolarHBondContact O-CG2 3.33Å; L748-T751 PolarHBondContact O-N 3.4Å; L748-T751 PolarHBondContact O-OG1 2.87Å; L748-F762 HydrophobicContact CD1-CE2 4.02Å |
| 749 | P | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -59.4 | -23 | 177.1 | -25.4 | 35.5 | 0 | 0 | 0 | 114.8 | A217 F220 L221 F224 F281 L745 G746 V747 T751 F752 | A217-P749 HydrophobicContact CB-CB 3.92Å; A217-P749 WeakPolarHBondContact O-CB 3.41Å; F220-P749 HydrophobicContact CB-CB 3.88Å; F220-P749 HydrophobicContact CB-CG 3.89Å; L221-P749 HydrophobicContact CB-CG 4.18Å; F224-P749 HydrophobicContact CD2-CG 3.74Å; F224-P749 HydrophobicContact CE2-CG 3.91Å; F281-P749 HydrophobicContact CE1-CB 4.14Å; L745-P749 WeakPolarHBondContact O-CD 3.34Å; G746-P749 WeakPolarHBondContact O-CD 3.48Å; V747-P749 VanDerWaalsContact C-CD 3.41Å; V747-P749 VanDerWaalsContact C-N 3.34Å; P749-T751 PolarHBondContact O-N 3.43Å; P749-F752 HydrophobicContact CB-CD2 4.29Å; P749-F752 HydrophobicContact CB-CE2 4.31Å; P749-F752 WeakPolarHBondContact O-CB 3.16Å; P749-F752 WeakPolarHBondContact O-CG 3.27Å; P749-F752 PolarHBondContact O-N 2.85Å; P749-F752 VanDerWaalsContact O-N 3.08Å |
| 750 | L | 91.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -62.2 | -24.4 | 176.1 | -63.4 | 178.8 | 0 | 0 | 0 | 112.3 | L214 F281 V747 L748 F752 S758 F761 | L214-L750 HydrophobicContact CD2-CD2 3.81Å; F281-L750 HydrophobicContact CB-CD1 4.37Å; F281-L750 HydrophobicContact CD1-CD2 3.78Å; F281-L750 HydrophobicContact CD1-CG 3.96Å; F281-L750 HydrophobicContact CD2-CD2 3.73Å; F281-L750 HydrophobicContact CE1-CD2 3.82Å; F281-L750 HydrophobicContact CE1-CG 4.3Å; F281-L750 HydrophobicContact CE2-CD2 3.76Å; F281-L750 HydrophobicContact CG-CD1 4.4Å; F281-L750 HydrophobicContact CG-CD2 3.75Å; F281-L750 HydrophobicContact CG-CG 4.14Å; F281-L750 HydrophobicContact CZ-CD2 3.81Å; V747-L750 HydrophobicContact CB-CD1 4.07Å; V747-L750 HydrophobicContact CG1-CD1 4.28Å; V747-L750 WeakPolarHBondContact O-CB 3.29Å; V747-L750 WeakPolarHBondContact O-CG 3.43Å; V747-L750 PolarHBondContact O-N 3.26Å; L748-L750 PolarHBondContact O-N 3.28Å; L748-L750 VanDerWaalsContact O-N 3.13Å; L750-F752 VanDerWaalsContact C-N 3.28Å; L750-F752 PolarHBondContact O-N 2.98Å; L750-S758 VanDerWaalsContact O-CB 3.29Å; L750-S758 WeakPolarHBondContact O-CB 3.49Å; L750-S758 PolarHBondContact O-OG 3.07Å; L750-F761 HydrophobicContact CD1-CB 3.79Å |
| 751 | T | 92.6 | Very high | 92.4 | Very high | 50 Ų | 50 | 29 Ų | 29 | 31% | 0.307 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -73.5 | -17.5 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | L748 P749 V753 F762 | L748-T751 WeakPolarHBondContact O-CB 3.19Å; L748-T751 WeakPolarHBondContact O-CG2 3.33Å; L748-T751 PolarHBondContact O-N 3.4Å; L748-T751 PolarHBondContact O-OG1 2.87Å; P749-T751 PolarHBondContact O-N 3.43Å; T751-V753 PolarHBondContact O-N 3.13Å; T751-F762 HydrophobicContact CG2-CB 3.9Å; T751-F762 HydrophobicContact CG2-CD1 3.53Å; T751-F762 HydrophobicContact CG2-CD2 3.36Å; T751-F762 HydrophobicContact CG2-CE1 3.84Å; T751-F762 HydrophobicContact CG2-CE2 3.68Å; T751-F762 HydrophobicContact CG2-CG 3.27Å; T751-F762 HydrophobicContact CG2-CZ 3.91Å |
| 752 | F | 92.2 | Very high | 92.4 | Very high | 107 Ų | 107 | 27.5 Ų | 27.5 | 47% | 0.469 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -72.4 | -17.9 | -179.5 | -59.6 | -15.8 | 0 | 0 | 0 | 112.5 | F220 F224 P749 L750 | F220-F752 HydrophobicContact CB-CE2 4.1Å; F220-F752 HydrophobicContact CD1-CE2 4.01Å; F220-F752 HydrophobicContact CD2-CD2 4.03Å; F220-F752 HydrophobicContact CD2-CE2 4.16Å; F220-F752 HydrophobicContact CE1-CE2 4.48Å; F220-F752 HydrophobicContact CE2-CD2 4.37Å; F220-F752 HydrophobicContact CG-CD2 4.17Å; F220-F752 AromaticContact CG-CE2 3.83Å; F220-F752 HydrophobicContact CG-CE2 3.83Å; F224-F752 HydrophobicContact CE2-CE2 4.18Å; F224-F752 AromaticContact CE2-CZ 3.93Å; F224-F752 HydrophobicContact CE2-CZ 3.93Å; F224-F752 HydrophobicContact CZ-CE2 4.16Å; F224-F752 AromaticContact CZ-CZ 3.92Å; F224-F752 HydrophobicContact CZ-CZ 3.92Å; P749-F752 HydrophobicContact CB-CD2 4.29Å; P749-F752 HydrophobicContact CB-CE2 4.31Å; P749-F752 WeakPolarHBondContact O-CB 3.16Å; P749-F752 WeakPolarHBondContact O-CG 3.27Å; P749-F752 PolarHBondContact O-N 2.85Å; P749-F752 VanDerWaalsContact O-N 3.08Å; L750-F752 VanDerWaalsContact C-N 3.28Å; L750-F752 PolarHBondContact O-N 2.98Å |
| 753 | V | 89.5 | Confident | 92.5 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 13% | 0.127 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -106.3 | 123.9 | 177 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | A213 L214 V463 T751 Y755 S758 | A213-V753 HydrophobicContact CB-CG1 4.17Å; A213-V753 WeakPolarHBondContact O-CG2 3.48Å; L214-V753 HydrophobicContact CD2-CB 4.01Å; L214-V753 HydrophobicContact CD2-CG2 3.95Å; V463-V753 HydrophobicContact CG1-CG1 4.08Å; T751-V753 PolarHBondContact O-N 3.13Å; V753-Y755 PolarHBondContact O-N 3.47Å; V753-S758 PolarHBondContact O-OG 2.98Å |
| 754 | D | 91.2 | Very high | 92.5 | Very high | 82 Ų | 82 | 29.2 Ų | 29.2 | 44% | 0.439 | 14% | 0.144 | S | C | . | . | trans | -76.7 | 77.9 | 174.8 | -167.6 | -2.2 | 0 | 0 | 0 | 111.1 | V463 A464 K759 | V463-D754 WeakPolarHBondContact CA-O 3.48Å; A464-D754 HydrophobicContact CB-CB 4.07Å; A464-D754 VanDerWaalsContact CB-CG 3.4Å; A464-D754 VanDerWaalsContact CB-OD2 3.26Å; A464-D754 WeakPolarHBondContact CB-OD2 3.16Å; A464-D754 PolarHBondContact N-O 3.49Å; D754-K759 VanDerWaalsContact OD1-CE 3.26Å; D754-K759 WeakPolarHBondContact OD1-CE 3.34Å; D754-K759 IonicContact OD1-NZ 2.62Å; D754-K759 PolarHBondContact OD1-NZ 3.04Å; D754-K759 IonicContact OD2-NZ 3.06Å | ||
| 755 | Y | 89.9 | Confident | 92.5 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | trans | -135.8 | 132.6 | -176.7 | -178.2 | -148.4 | 0 | 0 | 0 | 109.6 | L214 L461 V463 V753 V757 S758 K759 | L214-Y755 HydrophobicContact CD1-CD1 3.83Å; L214-Y755 HydrophobicContact CD1-CE1 3.95Å; L214-Y755 HydrophobicContact CG-CD1 4.34Å; L461-Y755 VanDerWaalsContact C-CE2 3.43Å; L461-Y755 WeakPolarHBondContact O-CE2 3.03Å; L461-Y755 PolarHBondContact O-OH 3.46Å; V463-Y755 HydrophobicContact CG1-CG 4.45Å; V753-Y755 PolarHBondContact O-N 3.47Å; Y755-V757 HydrophobicContact CD1-CB 4.02Å; Y755-V757 HydrophobicContact CE1-CB 3.55Å; Y755-V757 HydrophobicContact CE1-CG1 4.25Å; Y755-V757 HydrophobicContact CE1-CG2 3.94Å; Y755-V757 HydrophobicContact CE2-CB 4.13Å; Y755-V757 HydrophobicContact CE2-CG2 3.81Å; Y755-V757 VanDerWaalsContact CZ-CG2 3.42Å; Y755-V757 PolarHBondContact O-N 2.9Å; Y755-V757 VanDerWaalsContact OH-CG2 3.3Å; Y755-V757 WeakPolarHBondContact OH-CG2 3.5Å; Y755-S758 PolarHBondContact O-N 3.37Å; Y755-S758 PolarHBondContact O-OG 3.11Å; Y755-K759 WeakPolarHBondContact O-CB 3.49Å; Y755-K759 WeakPolarHBondContact O-CG 3.1Å; Y755-K759 PolarHBondContact O-N 3.17Å | ||
| 756 | Y | 91.5 | Very high | 92.6 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 13% | 0.133 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | -175.8 | 169.7 | -92.9 | 0 | 0 | 0 | 111.6 | K460 D688 S758 K759 T760 | K460-Y756 HydrophobicContact CB-CD1 3.62Å; K460-Y756 HydrophobicContact CB-CE1 4.06Å; K460-Y756 HydrophobicContact CB-CG 3.94Å; K460-Y756 HydrophobicContact CD-CD1 4.11Å; K460-Y756 HydrophobicContact CD-CE1 3.73Å; K460-Y756 HydrophobicContact CD-CE2 4.2Å; K460-Y756 HydrophobicContact CD-CG 4.49Å; K460-Y756 HydrophobicContact CG-CD1 3.92Å; K460-Y756 HydrophobicContact CG-CD2 4.21Å; K460-Y756 HydrophobicContact CG-CE1 4.07Å; K460-Y756 HydrophobicContact CG-CE2 4.36Å; K460-Y756 HydrophobicContact CG-CG 3.97Å; K460-Y756 PolarHBondContact NZ-OH 3.29Å; K460-Y756 WeakPolarHBondContact O-CB 3.29Å; D688-Y756 VanDerWaalsContact OD2-CE1 3.26Å; D688-Y756 WeakPolarHBondContact OD2-CE1 3.33Å; D688-Y756 VanDerWaalsContact OD2-CZ 3.29Å; D688-Y756 PolarHBondContact OD2-OH 3.5Å; Y756-S758 VanDerWaalsContact C-N 3.34Å; Y756-S758 PolarHBondContact O-N 2.94Å; Y756-K759 PolarHBondContact O-N 3.05Å; Y756-T760 PolarHBondContact O-N 3.25Å; Y756-T760 PolarHBondContact O-OG1 3.26Å |
| 757 | V | 90.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.1 | -50.9 | 179.7 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | L461 I690 Y755 K759 T760 F761 | L461-V757 HydrophobicContact CD2-CG2 4.32Å; I690-V757 HydrophobicContact CD1-CG1 4.41Å; I690-V757 HydrophobicContact CD1-CG2 4.32Å; I690-V757 HydrophobicContact CG1-CG2 4.17Å; I690-V757 HydrophobicContact CG2-CB 4.43Å; I690-V757 HydrophobicContact CG2-CG1 3.97Å; I690-V757 HydrophobicContact CG2-CG2 4.41Å; Y755-V757 HydrophobicContact CD1-CB 4.02Å; Y755-V757 HydrophobicContact CE1-CB 3.55Å; Y755-V757 HydrophobicContact CE1-CG1 4.25Å; Y755-V757 HydrophobicContact CE1-CG2 3.94Å; Y755-V757 HydrophobicContact CE2-CB 4.13Å; Y755-V757 HydrophobicContact CE2-CG2 3.81Å; Y755-V757 VanDerWaalsContact CZ-CG2 3.42Å; Y755-V757 PolarHBondContact O-N 2.9Å; Y755-V757 VanDerWaalsContact OH-CG2 3.3Å; Y755-V757 WeakPolarHBondContact OH-CG2 3.5Å; V757-K759 PolarHBondContact O-N 2.87Å; V757-T760 PolarHBondContact O-N 3.18Å; V757-F761 HydrophobicContact CG1-CD2 3.81Å; V757-F761 HydrophobicContact CG1-CE2 3.67Å; V757-F761 VanDerWaalsContact O-CD2 3.23Å; V757-F761 WeakPolarHBondContact O-CD2 3.39Å; V757-F761 PolarHBondContact O-N 3.41Å |
| 758 | S | 90.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | -178.8 | 75.6 | 0 | 0 | 0 | 0 | 112.7 | L750 V753 Y755 Y756 F761 F762 | L750-S758 VanDerWaalsContact O-CB 3.29Å; L750-S758 WeakPolarHBondContact O-CB 3.49Å; L750-S758 PolarHBondContact O-OG 3.07Å; V753-S758 PolarHBondContact O-OG 2.98Å; Y755-S758 PolarHBondContact O-N 3.37Å; Y755-S758 PolarHBondContact O-OG 3.11Å; Y756-S758 VanDerWaalsContact C-N 3.34Å; Y756-S758 PolarHBondContact O-N 2.94Å; S758-F761 PolarHBondContact O-N 3.47Å; S758-F762 PolarHBondContact O-N 2.99Å |
| 759 | K | 92.1 | Very high | 92.9 | Very high | 83 Ų | 83 | 28.2 Ų | 28.2 | 36% | 0.361 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 174.2 | -75.3 | 177.7 | 170.4 | 178.8 | 0 | 112.2 | D754 Y755 Y756 V757 F762 K763 | D754-K759 VanDerWaalsContact OD1-CE 3.26Å; D754-K759 WeakPolarHBondContact OD1-CE 3.34Å; D754-K759 IonicContact OD1-NZ 2.62Å; D754-K759 PolarHBondContact OD1-NZ 3.04Å; D754-K759 IonicContact OD2-NZ 3.06Å; Y755-K759 WeakPolarHBondContact O-CB 3.49Å; Y755-K759 WeakPolarHBondContact O-CG 3.1Å; Y755-K759 PolarHBondContact O-N 3.17Å; Y756-K759 PolarHBondContact O-N 3.05Å; V757-K759 PolarHBondContact O-N 2.87Å; K759-F762 PolarHBondContact O-N 3.49Å; K759-K763 WeakPolarHBondContact O-CB 2.84Å; K759-K763 VanDerWaalsContact O-CG 3.29Å; K759-K763 WeakPolarHBondContact O-CG 3.14Å; K759-K763 PolarHBondContact O-N 2.71Å |
| 760 | T | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -41.5 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | T685 I690 Y756 V757 K763 T764 | T685-T760 HydrophobicContact CG2-CG2 3.85Å; I690-T760 HydrophobicContact CG2-CG2 4.49Å; Y756-T760 PolarHBondContact O-N 3.25Å; Y756-T760 PolarHBondContact O-OG1 3.26Å; V757-T760 PolarHBondContact O-N 3.18Å; T760-K763 PolarHBondContact O-N 3.36Å; T760-T764 WeakPolarHBondContact O-CB 3.28Å; T760-T764 PolarHBondContact O-N 2.59Å; T760-T764 PolarHBondContact O-OG1 3.08Å |
| 761 | F | 92.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.022 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -49.6 | 171.3 | -85.9 | -78.9 | 0 | 0 | 0 | 111.7 | A278 F347 I690 I693 N694 M697 L750 V757 S758 T764 C765 | A278-F761 HydrophobicContact CB-CD2 4.04Å; A278-F761 HydrophobicContact CB-CE1 4.2Å; A278-F761 HydrophobicContact CB-CE2 3.7Å; A278-F761 HydrophobicContact CB-CG 4.47Å; A278-F761 HydrophobicContact CB-CZ 3.79Å; F347-F761 HydrophobicContact CE2-CE1 4.38Å; F347-F761 HydrophobicContact CE2-CZ 4.04Å; F347-F761 HydrophobicContact CZ-CE1 4.2Å; F347-F761 HydrophobicContact CZ-CZ 4.25Å; I690-F761 HydrophobicContact CG2-CE2 4.12Å; I693-F761 HydrophobicContact CG2-CE1 4.3Å; I693-F761 HydrophobicContact CG2-CZ 4.12Å; N694-F761 WeakPolarHBondContact OD1-CA 3.45Å; N694-F761 WeakPolarHBondContact OD1-CD1 3.17Å; N694-F761 VanDerWaalsContact OD1-CE1 3.28Å; N694-F761 WeakPolarHBondContact OD1-CE1 3.37Å; N694-F761 WeakPolarHBondContact OD1-CG 3.25Å; M697-F761 HydrophobicContact CE-CD1 4.48Å; M697-F761 HydrophobicContact SD-CD1 4.3Å; M697-F761 HydrophobicContact SD-CE1 4.38Å; L750-F761 HydrophobicContact CD1-CB 3.79Å; V757-F761 HydrophobicContact CG1-CD2 3.81Å; V757-F761 HydrophobicContact CG1-CE2 3.67Å; V757-F761 VanDerWaalsContact O-CD2 3.23Å; V757-F761 WeakPolarHBondContact O-CD2 3.39Å; V757-F761 PolarHBondContact O-N 3.41Å; S758-F761 PolarHBondContact O-N 3.47Å; F761-T764 PolarHBondContact O-N 2.77Å; F761-C765 PolarHBondContact O-N 3.03Å |
| 762 | F | 93.9 | Very high | 93.3 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 17% | 0.171 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.2 | -49.5 | 177.8 | 173.5 | -98 | 0 | 0 | 0 | 112.7 | V747 L748 T751 S758 K759 T764 C765 F766 | V747-F762 HydrophobicContact CG2-CD2 3.93Å; L748-F762 HydrophobicContact CD1-CE2 4.02Å; T751-F762 HydrophobicContact CG2-CB 3.9Å; T751-F762 HydrophobicContact CG2-CD1 3.53Å; T751-F762 HydrophobicContact CG2-CD2 3.36Å; T751-F762 HydrophobicContact CG2-CE1 3.84Å; T751-F762 HydrophobicContact CG2-CE2 3.68Å; T751-F762 HydrophobicContact CG2-CG 3.27Å; T751-F762 HydrophobicContact CG2-CZ 3.91Å; S758-F762 PolarHBondContact O-N 2.99Å; K759-F762 PolarHBondContact O-N 3.49Å; F762-T764 VanDerWaalsContact C-N 3.29Å; F762-T764 PolarHBondContact O-N 2.9Å; F762-C765 PolarHBondContact O-N 3.23Å; F762-F766 VanDerWaalsContact O-CB 3.26Å; F762-F766 WeakPolarHBondContact O-CB 3.33Å; F762-F766 PolarHBondContact O-N 2.96Å |
| 763 | K | 95.3 | Very high | 93.4 | Very high | 38 Ų | 38 | 26.2 Ų | 26.2 | 17% | 0.165 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56 | -45.7 | 178.3 | -76.9 | 179.3 | 179.1 | -174.6 | 0 | 111.1 | L680 W683 K759 T760 L767 | L680-K763 HydrophobicContact CD2-CB 4.07Å; W683-K763 HydrophobicContact CD2-CD 3.9Å; W683-K763 HydrophobicContact CD2-CG 3.99Å; W683-K763 HydrophobicContact CE3-CB 4.08Å; W683-K763 HydrophobicContact CE3-CD 4.2Å; W683-K763 HydrophobicContact CE3-CG 3.91Å; W683-K763 HydrophobicContact CG-CD 4.1Å; W683-K763 HydrophobicContact CH2-CG 4.14Å; W683-K763 HydrophobicContact CZ2-CG 4.2Å; W683-K763 HydrophobicContact CZ3-CB 4.13Å; W683-K763 HydrophobicContact CZ3-CG 3.99Å; W683-K763 PolarHBondContact O-NZ 3.32Å; K759-K763 WeakPolarHBondContact O-CB 2.84Å; K759-K763 VanDerWaalsContact O-CG 3.29Å; K759-K763 WeakPolarHBondContact O-CG 3.14Å; K759-K763 PolarHBondContact O-N 2.71Å; T760-K763 PolarHBondContact O-N 3.36Å; K763-L767 WeakPolarHBondContact O-CB 3.4Å; K763-L767 VanDerWaalsContact O-CG 3.3Å; K763-L767 WeakPolarHBondContact O-CG 3.47Å; K763-L767 PolarHBondContact O-N 3.12Å |
| 764 | T | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.6 | -55.3 | -178.6 | -50.6 | 0 | 0 | 0 | 0 | 110.5 | V676 L680 N694 M697 T760 F761 F762 F766 L767 V768 | V676-T764 HydrophobicContact CG1-CG2 4.06Å; L680-T764 HydrophobicContact CD1-CG2 4.02Å; N694-T764 HydrophobicContact CB-CG2 3.72Å; N694-T764 WeakPolarHBondContact CB-OG1 3.31Å; N694-T764 WeakPolarHBondContact O-CG2 3.23Å; M697-T764 HydrophobicContact CE-CG2 4.07Å; T760-T764 WeakPolarHBondContact O-CB 3.28Å; T760-T764 PolarHBondContact O-N 2.59Å; T760-T764 PolarHBondContact O-OG1 3.08Å; F761-T764 PolarHBondContact O-N 2.77Å; F762-T764 VanDerWaalsContact C-N 3.29Å; F762-T764 PolarHBondContact O-N 2.9Å; T764-F766 VanDerWaalsContact C-N 3.27Å; T764-F766 PolarHBondContact O-N 3.36Å; T764-L767 PolarHBondContact O-N 3.14Å; T764-L767 VanDerWaalsContact O-N 3.09Å; T764-V768 HydrophobicContact CG2-CG2 4.01Å; T764-V768 WeakPolarHBondContact O-CB 3.36Å; T764-V768 WeakPolarHBondContact O-CG2 3.07Å; T764-V768 PolarHBondContact O-N 3.19Å |
| 765 | C | 93.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.9 | -40.6 | 178.4 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | M697 V747 F761 F762 V768 V769 | M697-C765 WeakPolarHBondContact CE-SG 3.27Å; V747-C765 HydrophobicContact CB-CB 4.36Å; V747-C765 HydrophobicContact CG1-CB 4Å; V747-C765 HydrophobicContact CG2-CB 3.73Å; F761-C765 PolarHBondContact O-N 3.03Å; F762-C765 PolarHBondContact O-N 3.23Å; C765-V768 PolarHBondContact O-N 2.99Å; C765-V769 WeakPolarHBondContact O-CB 3.24Å; C765-V769 VanDerWaalsContact O-CG2 3.25Å; C765-V769 WeakPolarHBondContact O-CG2 3.48Å; C765-V769 PolarHBondContact O-N 2.9Å |
| 766 | F | 94.9 | Very high | 94.1 | Very high | 92 Ų | 92 | 23.6 Ų | 23.6 | 40% | 0.404 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 176.2 | -179.7 | -93.6 | 0 | 0 | 0 | 112 | W683 F762 T764 A770 | W683-F766 HydrophobicContact CH2-CD1 4.34Å; W683-F766 HydrophobicContact CZ3-CD1 4.22Å; F762-F766 VanDerWaalsContact O-CB 3.26Å; F762-F766 WeakPolarHBondContact O-CB 3.33Å; F762-F766 PolarHBondContact O-N 2.96Å; T764-F766 VanDerWaalsContact C-N 3.27Å; T764-F766 PolarHBondContact O-N 3.36Å; F766-A770 WeakPolarHBondContact O-CB 3.46Å; F766-A770 PolarHBondContact O-N 3.44Å |
| 767 | L | 96.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 22.7 Ų | 22.7 | 9% | 0.089 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 177.1 | -74.2 | 176 | 0 | 0 | 0 | 111.2 | L679 L680 W683 K763 T764 V769 A770 T771 | L679-L767 HydrophobicContact CB-CD1 3.81Å; L679-L767 HydrophobicContact CB-CD2 3.96Å; L679-L767 HydrophobicContact CD1-CD2 4.05Å; L680-L767 HydrophobicContact CB-CD1 4.46Å; L680-L767 HydrophobicContact CD2-CD1 3.72Å; L680-L767 HydrophobicContact CG-CD1 3.72Å; W683-L767 HydrophobicContact CE3-CD1 3.99Å; W683-L767 HydrophobicContact CE3-CD2 4.29Å; W683-L767 HydrophobicContact CE3-CG 4.12Å; W683-L767 HydrophobicContact CZ3-CD1 4.42Å; W683-L767 HydrophobicContact CZ3-CD2 4.22Å; W683-L767 HydrophobicContact CZ3-CG 4.06Å; K763-L767 WeakPolarHBondContact O-CB 3.4Å; K763-L767 VanDerWaalsContact O-CG 3.3Å; K763-L767 WeakPolarHBondContact O-CG 3.47Å; K763-L767 PolarHBondContact O-N 3.12Å; T764-L767 PolarHBondContact O-N 3.14Å; T764-L767 VanDerWaalsContact O-N 3.09Å; L767-V769 VanDerWaalsContact C-N 3.34Å; L767-V769 PolarHBondContact O-N 3.43Å; L767-A770 PolarHBondContact O-N 2.55Å; L767-T771 WeakPolarHBondContact O-CB 3.21Å; L767-T771 WeakPolarHBondContact O-CG2 3.49Å; L767-T771 PolarHBondContact O-N 3.29Å; L767-T771 PolarHBondContact O-OG1 3.09Å |
| 768 | V | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 180 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | V676 I701 T764 C765 T771 G772 | V676-V768 HydrophobicContact CB-CG2 4.38Å; V676-V768 HydrophobicContact CG1-CG2 3.82Å; V676-V768 HydrophobicContact CG2-CB 4.39Å; V676-V768 HydrophobicContact CG2-CG2 3.62Å; I701-V768 HydrophobicContact CB-CG1 3.75Å; I701-V768 HydrophobicContact CG2-CG1 3.76Å; T764-V768 HydrophobicContact CG2-CG2 4.01Å; T764-V768 WeakPolarHBondContact O-CB 3.36Å; T764-V768 WeakPolarHBondContact O-CG2 3.07Å; T764-V768 PolarHBondContact O-N 3.19Å; C765-V768 PolarHBondContact O-N 2.99Å; V768-T771 PolarHBondContact O-OG1 3.23Å; V768-G772 VanDerWaalsContact O-CA 3.26Å; V768-G772 WeakPolarHBondContact O-CA 3.14Å; V768-G772 PolarHBondContact O-N 2.78Å |
| 769 | V | 95.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.3 | -46.1 | 175.6 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | I701 A740 T743 V744 C765 L767 G772 I773 | I701-V769 HydrophobicContact CG2-CG2 4.48Å; A740-V769 HydrophobicContact CB-CG1 3.92Å; T743-V769 HydrophobicContact CG2-CG2 3.9Å; V744-V769 HydrophobicContact CG2-CB 3.96Å; V744-V769 HydrophobicContact CG2-CG1 3.8Å; V744-V769 HydrophobicContact CG2-CG2 3.96Å; C765-V769 WeakPolarHBondContact O-CB 3.24Å; C765-V769 VanDerWaalsContact O-CG2 3.25Å; C765-V769 WeakPolarHBondContact O-CG2 3.48Å; C765-V769 PolarHBondContact O-N 2.9Å; L767-V769 VanDerWaalsContact C-N 3.34Å; L767-V769 PolarHBondContact O-N 3.43Å; V769-G772 PolarHBondContact O-N 3.34Å; V769-I773 HydrophobicContact CG1-CD1 3.85Å; V769-I773 HydrophobicContact CG1-CG1 4.3Å; V769-I773 WeakPolarHBondContact O-CB 3.37Å; V769-I773 VanDerWaalsContact O-CG1 3.3Å; V769-I773 WeakPolarHBondContact O-CG1 3.38Å; V769-I773 PolarHBondContact O-N 3.15Å |
| 770 | A | 95.3 | Very high | 94.6 | Very high | 50 Ų | 50 | 20.5 Ų | 20.5 | 41% | 0.413 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -62.1 | -48.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F766 L767 F774 | F766-A770 WeakPolarHBondContact O-CB 3.46Å; F766-A770 PolarHBondContact O-N 3.44Å; L767-A770 PolarHBondContact O-N 2.55Å; A770-F774 WeakPolarHBondContact O-CB 3.46Å; A770-F774 PolarHBondContact O-N 3.25Å |
| 771 | T | 95.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 6% | 0.055 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.2 | -39.1 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | Y441 T672 L679 L767 V768 F774 H775 | Y441-T771 HydrophobicContact CE2-CG2 3.85Å; T672-T771 WeakPolarHBondContact CG2-OG1 3.41Å; L679-T771 HydrophobicContact CD1-CG2 4.1Å; L767-T771 WeakPolarHBondContact O-CB 3.21Å; L767-T771 WeakPolarHBondContact O-CG2 3.49Å; L767-T771 PolarHBondContact O-N 3.29Å; L767-T771 PolarHBondContact O-OG1 3.09Å; V768-T771 PolarHBondContact O-OG1 3.23Å; T771-F774 WeakPolarHBondContact O-CB 3.46Å; T771-F774 PolarHBondContact O-N 3.49Å; T771-H775 PolarHBondContact O-N 3.39Å; T771-H775 PolarHBondContact O-ND1 3.17Å |
| 772 | G | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V768 V769 F774 H775 A776 | V768-G772 VanDerWaalsContact O-CA 3.26Å; V768-G772 WeakPolarHBondContact O-CA 3.14Å; V768-G772 PolarHBondContact O-N 2.78Å; V769-G772 PolarHBondContact O-N 3.34Å; G772-F774 VanDerWaalsContact C-N 3.31Å; G772-F774 PolarHBondContact O-N 2.02Å; G772-H775 PolarHBondContact O-N 3.04Å; G772-A776 VanDerWaalsContact O-CB 3.25Å; G772-A776 WeakPolarHBondContact O-CB 3.4Å; G772-A776 PolarHBondContact O-N 3.34Å |
| 773 | I | 94.3 | Very high | 94.5 | Very high | 58 Ų | 58 | 22.1 Ų | 22.1 | 30% | 0.297 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 173.3 | -67.9 | 176.2 | 0 | 0 | 0 | 110.4 | A740 V769 H775 A776 F777 | A740-I773 HydrophobicContact CB-CD1 3.72Å; A740-I773 HydrophobicContact CB-CG1 3.91Å; V769-I773 HydrophobicContact CG1-CD1 3.85Å; V769-I773 HydrophobicContact CG1-CG1 4.3Å; V769-I773 WeakPolarHBondContact O-CB 3.37Å; V769-I773 VanDerWaalsContact O-CG1 3.3Å; V769-I773 WeakPolarHBondContact O-CG1 3.38Å; V769-I773 PolarHBondContact O-N 3.15Å; I773-H775 VanDerWaalsContact C-N 3.34Å; I773-H775 PolarHBondContact O-N 3.13Å; I773-A776 PolarHBondContact O-N 2.93Å; I773-F777 HydrophobicContact CG2-CD2 3.9Å; I773-F777 WeakPolarHBondContact O-CB 3.18Å; I773-F777 PolarHBondContact O-N 2.99Å |
| 774 | F | 94.8 | Very high | 94.3 | Very high | 56 Ų | 56 | 20.3 Ų | 20.3 | 25% | 0.246 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -59.2 | -44.5 | 177.7 | 176.9 | -107.3 | 0 | 0 | 0 | 111.5 | Y438 A770 T771 G772 V778 I779 | Y438-F774 HydrophobicContact CD2-CE1 4.1Å; A770-F774 WeakPolarHBondContact O-CB 3.46Å; A770-F774 PolarHBondContact O-N 3.25Å; T771-F774 WeakPolarHBondContact O-CB 3.46Å; T771-F774 PolarHBondContact O-N 3.49Å; G772-F774 VanDerWaalsContact C-N 3.31Å; G772-F774 PolarHBondContact O-N 2.02Å; F774-V778 HydrophobicContact CD2-CB 4Å; F774-V778 HydrophobicContact CD2-CG1 4.43Å; F774-V778 HydrophobicContact CD2-CG2 3.86Å; F774-V778 HydrophobicContact CE2-CB 4.13Å; F774-V778 HydrophobicContact CE2-CG1 4.08Å; F774-V778 HydrophobicContact CE2-CG2 4.31Å; F774-V778 WeakPolarHBondContact O-CA 3.34Å; F774-V778 WeakPolarHBondContact O-CB 3.08Å; F774-V778 PolarHBondContact O-N 3.24Å; F774-I779 HydrophobicContact CD1-CG1 4.23Å; F774-I779 HydrophobicContact CE1-CD1 3.88Å; F774-I779 HydrophobicContact CE1-CG1 3.87Å; F774-I779 HydrophobicContact CZ-CD1 3.81Å; F774-I779 HydrophobicContact CZ-CG1 4.24Å; F774-I779 PolarHBondContact O-N 3.47Å |
| 775 | H | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -68 | -47.2 | 176 | -72 | 78.4 | 0 | 0 | 0 | 112.3 | Y438 Y441 M668 S671 T672 V706 T771 G772 I773 I779 L780 | Y438-H775 AromaticContact CE2-NE2 3.77Å; Y441-H775 AromaticContact CE1-CE1 3.59Å; Y441-H775 AromaticContact CE1-NE2 3.84Å; Y441-H775 AromaticContact CZ-CE1 3.67Å; Y441-H775 PolarHBondContact OH-CE1 2.93Å; Y441-H775 VanDerWaalsContact OH-CE1 3.31Å; M668-H775 HydrophobicContact SD-CB 4.37Å; S671-H775 WeakPolarHBondContact CB-NE2 3.24Å; S671-H775 PolarHBondContact OG-NE2 2.98Å; T672-H775 VanDerWaalsContact OG1-CG 3.32Å; T672-H775 PolarHBondContact OG1-ND1 3.03Å; V706-H775 HydrophobicContact CG2-CB 4.49Å; T771-H775 PolarHBondContact O-N 3.39Å; T771-H775 PolarHBondContact O-ND1 3.17Å; G772-H775 PolarHBondContact O-N 3.04Å; I773-H775 VanDerWaalsContact C-N 3.34Å; I773-H775 PolarHBondContact O-N 3.13Å; H775-I779 PolarHBondContact O-N 3.42Å; H775-L780 VanDerWaalsContact O-CB 3.26Å; H775-L780 WeakPolarHBondContact O-CB 3.29Å; H775-L780 PolarHBondContact O-N 3.26Å |
| 776 | A | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -70.1 | -38 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V706 I709 G772 I773 P781 | V706-A776 HydrophobicContact CG2-CB 4.19Å; I709-A776 HydrophobicContact CD1-CB 4.15Å; I709-A776 WeakPolarHBondContact CD1-O 3.17Å; G772-A776 VanDerWaalsContact O-CB 3.25Å; G772-A776 WeakPolarHBondContact O-CB 3.4Å; G772-A776 PolarHBondContact O-N 3.34Å; I773-A776 PolarHBondContact O-N 2.93Å; A776-P781 VanDerWaalsContact O-CD 3.22Å; A776-P781 WeakPolarHBondContact O-CD 3.13Å |
| 777 | F | 94 | Very high | 93.2 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -99.4 | -28.9 | -178.4 | -71.9 | -86.6 | 0 | 0 | 0 | 113.3 | F418 Y421 I709 L729 G733 V736 I737 I773 P781 | F418-F777 HydrophobicContact CE1-CE1 4.29Å; F418-F777 HydrophobicContact CZ-CE1 4.31Å; Y421-F777 PolarHBondContact OH-O 3.32Å; I709-F777 HydrophobicContact CD1-CE1 4.29Å; I709-F777 HydrophobicContact CD1-CE2 4.45Å; I709-F777 HydrophobicContact CD1-CZ 4.19Å; L729-F777 HydrophobicContact CD2-CD1 4.1Å; L729-F777 HydrophobicContact CD2-CE1 3.97Å; G733-F777 WeakPolarHBondContact O-CZ 3.48Å; V736-F777 HydrophobicContact CB-CE2 4.37Å; V736-F777 HydrophobicContact CB-CZ 4.15Å; V736-F777 HydrophobicContact CG1-CE2 3.66Å; V736-F777 HydrophobicContact CG1-CZ 3.93Å; I737-F777 HydrophobicContact CD1-CE1 4.1Å; I737-F777 HydrophobicContact CD1-CZ 3.95Å; I737-F777 HydrophobicContact CG1-CE1 4.24Å; I737-F777 HydrophobicContact CG1-CE2 3.88Å; I737-F777 HydrophobicContact CG1-CZ 3.58Å; I773-F777 HydrophobicContact CG2-CD2 3.9Å; I773-F777 WeakPolarHBondContact O-CB 3.18Å; I773-F777 PolarHBondContact O-N 2.99Å; F777-P781 WeakPolarHBondContact O-CD 3.31Å; F777-P781 WeakPolarHBondContact O-CG 3.4Å |
| 778 | V | 93.7 | Very high | 91.9 | Very high | 31 Ų | 31 | 23.8 Ų | 23.8 | 19% | 0.188 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -101 | -60.3 | -175.3 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | I434 F774 I782 | I434-V778 HydrophobicContact CB-CG1 4.48Å; I434-V778 HydrophobicContact CD1-CG1 3.75Å; I434-V778 HydrophobicContact CG1-CG1 4.08Å; I434-V778 HydrophobicContact CG2-CG1 3.58Å; F774-V778 HydrophobicContact CD2-CB 4Å; F774-V778 HydrophobicContact CD2-CG1 4.43Å; F774-V778 HydrophobicContact CD2-CG2 3.86Å; F774-V778 HydrophobicContact CE2-CB 4.13Å; F774-V778 HydrophobicContact CE2-CG1 4.08Å; F774-V778 HydrophobicContact CE2-CG2 4.31Å; F774-V778 WeakPolarHBondContact O-CA 3.34Å; F774-V778 WeakPolarHBondContact O-CB 3.08Å; F774-V778 PolarHBondContact O-N 3.24Å; V778-I782 WeakPolarHBondContact O-CD1 3.03Å; V778-I782 WeakPolarHBondContact O-CG1 3.38Å |
| 779 | I | 94.2 | Very high | 90 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -71.9 | -51 | -172.6 | -53.9 | -57 | 0 | 0 | 0 | 111.4 | I434 Y438 M668 F774 H775 I782 L783 | I434-I779 HydrophobicContact CG2-CD1 3.96Å; Y438-I779 HydrophobicContact CD2-CD1 3.65Å; Y438-I779 HydrophobicContact CD2-CG1 3.96Å; Y438-I779 HydrophobicContact CE2-CD1 4.38Å; Y438-I779 HydrophobicContact CE2-CG1 4.25Å; Y438-I779 HydrophobicContact CG-CD1 3.83Å; M668-I779 HydrophobicContact CE-CG2 3.84Å; M668-I779 HydrophobicContact SD-CB 4.01Å; M668-I779 HydrophobicContact SD-CG2 3.54Å; M668-I779 VanDerWaalsContact SD-CG2 3.54Å; F774-I779 HydrophobicContact CD1-CG1 4.23Å; F774-I779 HydrophobicContact CE1-CD1 3.88Å; F774-I779 HydrophobicContact CE1-CG1 3.87Å; F774-I779 HydrophobicContact CZ-CD1 3.81Å; F774-I779 HydrophobicContact CZ-CG1 4.24Å; F774-I779 PolarHBondContact O-N 3.47Å; H775-I779 PolarHBondContact O-N 3.42Å; I779-I782 PolarHBondContact O-N 3.42Å; I779-L783 HydrophobicContact CG2-CD1 3.89Å; I779-L783 HydrophobicContact CG2-CG 4.36Å; I779-L783 WeakPolarHBondContact O-CG 3.41Å; I779-L783 PolarHBondContact O-N 3.29Å; I779-L783 VanDerWaalsContact O-N 3.08Å |
| 780 | L | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.9 | -50.2 | -177.6 | 171.9 | 74 | 0 | 0 | 0 | 111.6 | V706 I709 C710 H775 I782 L783 L784 | V706-L780 HydrophobicContact CG1-CD1 4.3Å; V706-L780 HydrophobicContact CG1-CD2 3.97Å; I709-L780 HydrophobicContact CB-CD2 3.82Å; I709-L780 HydrophobicContact CG2-CD2 3.73Å; C710-L780 HydrophobicContact CB-CD2 4.49Å; H775-L780 VanDerWaalsContact O-CB 3.26Å; H775-L780 WeakPolarHBondContact O-CB 3.29Å; H775-L780 PolarHBondContact O-N 3.26Å; L780-I782 VanDerWaalsContact C-N 3.32Å; L780-I782 PolarHBondContact O-N 3.06Å; L780-L783 PolarHBondContact O-N 3.36Å; L780-L783 VanDerWaalsContact O-N 3.16Å; L780-L784 HydrophobicContact CD1-CD1 3.93Å; L780-L784 HydrophobicContact CD1-CD2 4.29Å; L780-L784 HydrophobicContact CD1-CG 3.91Å; L780-L784 HydrophobicContact CD2-CD1 4.35Å; L780-L784 HydrophobicContact CG-CD1 3.8Å; L780-L784 HydrophobicContact CG-CG 4.17Å; L780-L784 WeakPolarHBondContact O-CB 3.33Å; L780-L784 VanDerWaalsContact O-CG 3.32Å; L780-L784 WeakPolarHBondContact O-CG 3.47Å; L780-L784 PolarHBondContact O-N 3.39Å |
| 781 | P | 93.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -36.7 | 177.3 | -36.7 | 46.4 | 0 | 0 | 0 | 114.7 | L425 L725 A776 F777 L785 | L425-P781 HydrophobicContact CD1-CB 3.65Å; L725-P781 HydrophobicContact CD1-CB 4.08Å; L725-P781 HydrophobicContact CD1-CG 4.13Å; L725-P781 HydrophobicContact CD2-CB 3.78Å; A776-P781 VanDerWaalsContact O-CD 3.22Å; A776-P781 WeakPolarHBondContact O-CD 3.13Å; F777-P781 WeakPolarHBondContact O-CD 3.31Å; F777-P781 WeakPolarHBondContact O-CG 3.4Å; P781-L785 VanDerWaalsContact O-CB 3.27Å; P781-L785 WeakPolarHBondContact O-CB 3.21Å; P781-L785 WeakPolarHBondContact O-CG 3.45Å; P781-L785 PolarHBondContact O-N 2.98Å |
| 782 | I | 92.1 | Very high | 81.9 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.108 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 176.1 | -69 | 170 | 0 | 0 | 0 | 111.1 | L425 K431 I434 V778 I779 L780 S786 | L425-I782 HydrophobicContact CD2-CD1 4.26Å; L425-I782 HydrophobicContact CD2-CG1 4.1Å; K431-I782 HydrophobicContact CG-CG2 4.44Å; I434-I782 HydrophobicContact CB-CD1 3.86Å; I434-I782 HydrophobicContact CD1-CD1 3.57Å; I434-I782 HydrophobicContact CG1-CD1 4.31Å; I434-I782 HydrophobicContact CG2-CD1 3.47Å; I434-I782 VanDerWaalsContact CG2-CD1 3.47Å; V778-I782 WeakPolarHBondContact O-CD1 3.03Å; V778-I782 WeakPolarHBondContact O-CG1 3.38Å; I779-I782 PolarHBondContact O-N 3.42Å; L780-I782 VanDerWaalsContact C-N 3.32Å; L780-I782 PolarHBondContact O-N 3.06Å; I782-S786 WeakPolarHBondContact O-CB 3.44Å; I782-S786 PolarHBondContact O-N 3.29Å; I782-S786 PolarHBondContact O-OG 3.42Å |
| 783 | L | 91.9 | Very high | 78.8 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 177.7 | -65.8 | 176.6 | 0 | 0 | 0 | 110.8 | L664 M668 I779 L780 L785 S786 I787 | L664-L783 HydrophobicContact CD2-CB 4Å; L664-L783 HydrophobicContact CD2-CD1 3.75Å; L664-L783 HydrophobicContact CD2-CG 4.45Å; M668-L783 HydrophobicContact CE-CD1 3.51Å; M668-L783 HydrophobicContact SD-CD1 4.31Å; I779-L783 HydrophobicContact CG2-CD1 3.89Å; I779-L783 HydrophobicContact CG2-CG 4.36Å; I779-L783 WeakPolarHBondContact O-CG 3.41Å; I779-L783 PolarHBondContact O-N 3.29Å; I779-L783 VanDerWaalsContact O-N 3.08Å; L780-L783 PolarHBondContact O-N 3.36Å; L780-L783 VanDerWaalsContact O-N 3.16Å; L783-L785 PolarHBondContact O-N 3.1Å; L783-S786 PolarHBondContact O-N 3.21Å; L783-S786 VanDerWaalsContact O-N 3.08Å; L783-I787 WeakPolarHBondContact O-CD1 3.28Å; L783-I787 WeakPolarHBondContact O-CG1 3.4Å; L783-I787 PolarHBondContact O-N 2.89Å |
| 784 | L | 91.4 | Very high | 75.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | 176.5 | -67.8 | 177.9 | 0 | 0 | 0 | 112.1 | L664 Y713 F714 L725 L780 S786 I787 G788 | L664-L784 HydrophobicContact CD1-CD2 3.82Å; Y713-L784 HydrophobicContact CD1-CD1 4.28Å; Y713-L784 HydrophobicContact CD1-CD2 3.73Å; Y713-L784 HydrophobicContact CD1-CG 4.45Å; Y713-L784 HydrophobicContact CD2-CB 4.41Å; Y713-L784 HydrophobicContact CD2-CD1 3.95Å; Y713-L784 HydrophobicContact CE1-CB 4.36Å; Y713-L784 HydrophobicContact CE1-CD2 3.82Å; Y713-L784 HydrophobicContact CE2-CB 4.03Å; Y713-L784 HydrophobicContact CE2-CD1 4.4Å; Y713-L784 HydrophobicContact CG-CD1 3.87Å; Y713-L784 HydrophobicContact CG-CD2 4.2Å; Y713-L784 HydrophobicContact CG-CG 4.49Å; Y713-L784 PolarHBondContact OH-O 3.49Å; F714-L784 HydrophobicContact CE2-CD2 3.83Å; F714-L784 HydrophobicContact CZ-CD2 4.03Å; L725-L784 HydrophobicContact CD1-CD1 4.31Å; L780-L784 HydrophobicContact CD1-CD1 3.93Å; L780-L784 HydrophobicContact CD1-CD2 4.29Å; L780-L784 HydrophobicContact CD1-CG 3.91Å; L780-L784 HydrophobicContact CD2-CD1 4.35Å; L780-L784 HydrophobicContact CG-CD1 3.8Å; L780-L784 HydrophobicContact CG-CG 4.17Å; L780-L784 WeakPolarHBondContact O-CB 3.33Å; L780-L784 VanDerWaalsContact O-CG 3.32Å; L780-L784 WeakPolarHBondContact O-CG 3.47Å; L780-L784 PolarHBondContact O-N 3.39Å; L784-S786 PolarHBondContact O-N 3.07Å; L784-I787 PolarHBondContact O-N 3.14Å; L784-G788 PolarHBondContact O-N 3.44Å |
| 785 | L | 89 | Confident | 72.9 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -25.4 | 175.5 | -75.8 | 173.7 | 0 | 0 | 0 | 113.5 | I422 L425 R426 A722 L725 P781 L783 | I422-L785 HydrophobicContact CG2-CD2 4.39Å; L425-L785 HydrophobicContact CB-CD1 4.02Å; R426-L785 HydrophobicContact CG-CD1 4.19Å; A722-L785 HydrophobicContact CB-CD2 3.66Å; L725-L785 HydrophobicContact CD2-CD1 3.92Å; L725-L785 HydrophobicContact CD2-CD2 3.95Å; L725-L785 HydrophobicContact CD2-CG 3.68Å; P781-L785 VanDerWaalsContact O-CB 3.27Å; P781-L785 WeakPolarHBondContact O-CB 3.21Å; P781-L785 WeakPolarHBondContact O-CG 3.45Å; P781-L785 PolarHBondContact O-N 2.98Å; L783-L785 PolarHBondContact O-N 3.1Å |
| 786 | S | 86.1 | Confident | 70.2 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 51% | 0.51 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -85.3 | -26.5 | 179 | -55.4 | 0 | 0 | 0 | 0 | 112 | I782 L783 L784 | I782-S786 WeakPolarHBondContact O-CB 3.44Å; I782-S786 PolarHBondContact O-N 3.29Å; I782-S786 PolarHBondContact O-OG 3.42Å; L783-S786 PolarHBondContact O-N 3.21Å; L783-S786 VanDerWaalsContact O-N 3.08Å; L784-S786 PolarHBondContact O-N 3.07Å |
| 787 | I | 83.9 | Confident | 67.4 | Low | 78 Ų | 78 | 78.8 Ų | 78.8 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -84.1 | -35.6 | 175.6 | -66 | 159.5 | 0 | 0 | 0 | 111.5 | T660 L664 L783 L784 R789 | T660-I787 HydrophobicContact CG2-CD1 3.79Å; T660-I787 HydrophobicContact CG2-CG2 4.32Å; L664-I787 HydrophobicContact CD1-CD1 3.69Å; L664-I787 HydrophobicContact CD2-CD1 4.27Å; L664-I787 HydrophobicContact CG-CD1 4.37Å; L783-I787 WeakPolarHBondContact O-CD1 3.28Å; L783-I787 WeakPolarHBondContact O-CG1 3.4Å; L783-I787 PolarHBondContact O-N 2.89Å; L784-I787 PolarHBondContact O-N 3.14Å; I787-R789 PolarHBondContact O-N 3.31Å |
| 788 | G | 70.7 | Confident | 64.4 | Low | 16 Ų | 16 | 82.2 Ų | 82.2 | 17% | 0.165 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -64.3 | 119.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L784 T790 | L784-G788 PolarHBondContact O-N 3.44Å; G788-T790 PolarHBondContact O-N 3.41Å |
| 789 | R | 56.1 | Low | 61.4 | Low | 236 Ų | 236 | 93.6 Ų | 93.6 | 89% | 0.891 | 51% | 0.506 | S | S | * | . | trans | -59.2 | 118.4 | 174 | -71.5 | -179 | 177.9 | 169.4 | -0.4 | 109.3 | I787 A791 | I787-R789 PolarHBondContact O-N 3.31Å; R789-A791 PolarHBondContact O-N 3.47Å; R789-A791 VanDerWaalsContact O-N 3.09Å | ||
| 790 | T | 44.8 | Very low | 59.7 | Low | 106 Ų | 106 | 97.8 Ų | 97.8 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | trans | -64.3 | 108.1 | 169.1 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | D720 G788 A792 | D720-T790 WeakPolarHBondContact OD1-CA 3.49Å; G788-T790 PolarHBondContact O-N 3.41Å; T790-A792 PolarHBondContact O-N 3.33Å | ||
| 791 | A | 37.1 | Very low | 57.9 | Low | 73 Ų | 73 | 102.9 Ų | 102.9 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | trans | -63 | 126.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | R789 S793 | R789-A791 PolarHBondContact O-N 3.47Å; R789-A791 VanDerWaalsContact O-N 3.09Å; A791-S793 PolarHBondContact O-N 3.48Å | ||
| 792 | A | 33.7 | Very low | 56 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 74% | 0.744 | 59% | 0.588 | S | S | * | * | trans | -44.6 | 135 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T790 S794 | T790-A792 PolarHBondContact O-N 3.33Å; A792-S794 PolarHBondContact O-N 3.08Å; A792-S794 VanDerWaalsContact O-N 3.17Å | ||
| 793 | S | 29.1 | Very low | 53.9 | Low | 125 Ų | 125 | 113.8 Ų | 113.8 | 87% | 0.874 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -48.3 | 114.1 | 176.6 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | A791 | A791-S793 PolarHBondContact O-N 3.48Š|
| 794 | S | 29.5 | Very low | 51.5 | Low | 107 Ų | 107 | 117.3 Ų | 117.3 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | trans | -150.2 | 7.2 | 164.2 | 83.2 | 0 | 0 | 0 | 0 | 118.1 | A792 | A792-S794 PolarHBondContact O-N 3.08Å; A792-S794 VanDerWaalsContact O-N 3.17Å | ||
| 795 | K | 35.4 | Very low | 48.8 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -139.9 | 9 | -173.9 | -85.6 | -167.6 | 176.9 | 179.8 | 0 | 120.8 | ||
| 796 | W | 39.2 | Very low | 45.9 | Very low | 249 Ų | 249 | 133 Ų | 133 | 94% | 0.943 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -108.9 | 17.7 | -178 | -81 | 95.4 | 0 | 0 | 0 | 116.7 | ||
| 797 | N | 35.9 | Very low | 42.9 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -111.9 | 25.6 | 174.2 | -78.1 | -3.1 | 0 | 0 | 0 | 114.2 | ||
| 798 | S | 30.5 | Very low | 39.4 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | trans | -147.3 | 87.8 | 173.4 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 799 | H | 31.2 | Very low | 36.6 | Very low | 271 Ų | 271 | 154.1 Ų | 154.1 | 100% | 1.255 | 82% | 0.82 | S | S | * | * | trans | -178 | 0 | 136.8 | -92.7 | -55.5 | 0 | 0 | 0 | 111.2 |
Retrieved 799 of 799 residues in 1409.4 ms
(Link to these results)