| 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 | 47.9 | Very low | 45.6 | Very low | 246 Ų | 246 | 132.4 Ų | 132.4 | 100% | 1.212 | 62% | 0.624 | S | S | * | * | 0 | 120.2 | 0 | -135 | 164.5 | -173.2 | 0 | 0 | 106.6 | M3 | M1-M3 PolarHBondContact O-N 3.19Š| |||
| 2 | R | 46.3 | Very low | 46 | Very low | 251 Ų | 251 | 126 Ų | 126 | 95% | 0.947 | 61% | 0.611 | S | S | * | * | trans | -77.1 | 114.2 | 174.9 | -100.8 | -178.7 | 176 | 168.3 | -1 | 107.1 | ||||
| 3 | M | 44.8 | Very low | 46.3 | Very low | 93 Ų | 93 | 118.4 Ų | 118.4 | 46% | 0.458 | 57% | 0.574 | S | S | . | * | trans | -61.5 | 140.5 | 168.8 | -75.4 | 173.4 | -176.6 | 0 | 0 | 109.4 | M1 E7 M8 | M1-M3 PolarHBondContact O-N 3.19Å; M3-E7 WeakPolarHBondContact CA-OE2 3.37Å; M3-E7 HydrophobicContact CB-CB 4.24Å; M3-E7 HydrophobicContact CG-CB 4.5Å; M3-M8 HydrophobicContact CB-CE 4.1Å; M3-M8 HydrophobicContact CB-CG 3.95Å; M3-M8 HydrophobicContact SD-CG 4.44Å | ||
| 4 | T | 63.3 | Low | 46.5 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | trans | -69.2 | 155.4 | 172.2 | 62.8 | 0 | 0 | 0 | 0 | 110 | E6 E7 M8 | T4-E6 PolarHBondContact O-N 3.42Å; T4-E6 VanDerWaalsContact O-N 3.09Å; T4-E7 PolarHBondContact N-OE2 2.86Å; T4-E7 PolarHBondContact O-N 3.1Å; T4-E7 VanDerWaalsContact O-N 3.13Å; T4-E7 VanDerWaalsContact OG1-CD 3.3Å; T4-E7 VanDerWaalsContact OG1-CG 3.25Å; T4-E7 WeakPolarHBondContact OG1-CG 3.33Å; T4-E7 PolarHBondContact OG1-N 2.99Å; T4-E7 PolarHBondContact OG1-OE2 3.18Å; T4-M8 PolarHBondContact O-N 3.22Å | ||
| 5 | M | 50.3 | Low | 46.7 | Very low | 156 Ų | 156 | 111.4 Ų | 111.4 | 77% | 0.768 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.1 | -25.1 | 175.8 | -108.3 | -177.6 | 175 | 0 | 0 | 112.9 | K9 | M5-K9 VanDerWaalsContact O-CD 3.29Å; M5-K9 WeakPolarHBondContact O-CD 3.1Å; M5-K9 WeakPolarHBondContact O-CG 3.33Å; M5-K9 PolarHBondContact O-N 3.1Å |
| 6 | E | 40 | Very low | 47.3 | Very low | 145 Ų | 145 | 105.9 Ų | 105.9 | 68% | 0.678 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -81.1 | -36.5 | 179.5 | -160.6 | 151.4 | -168.2 | 0 | 0 | 111.6 | T4 K9 N10 | T4-E6 PolarHBondContact O-N 3.42Å; T4-E6 VanDerWaalsContact O-N 3.09Å; E6-K9 PolarHBondContact O-N 3.38Å; E6-N10 PolarHBondContact O-N 3.47Å |
| 7 | E | 35.7 | Very low | 47.9 | Very low | 100 Ų | 100 | 102.5 Ų | 102.5 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 171 | -73.5 | 164.6 | 151.3 | 0 | 0 | 111.9 | M3 T4 K9 N10 E11 | M3-E7 WeakPolarHBondContact CA-OE2 3.37Å; M3-E7 HydrophobicContact CB-CB 4.24Å; M3-E7 HydrophobicContact CG-CB 4.5Å; T4-E7 PolarHBondContact N-OE2 2.86Å; T4-E7 PolarHBondContact O-N 3.1Å; T4-E7 VanDerWaalsContact O-N 3.13Å; T4-E7 VanDerWaalsContact OG1-CD 3.3Å; T4-E7 VanDerWaalsContact OG1-CG 3.25Å; T4-E7 WeakPolarHBondContact OG1-CG 3.33Å; T4-E7 PolarHBondContact OG1-N 2.99Å; T4-E7 PolarHBondContact OG1-OE2 3.18Å; E7-K9 PolarHBondContact O-N 3.07Å; E7-N10 PolarHBondContact O-N 3.36Å; E7-E11 WeakPolarHBondContact O-CB 3.31Å; E7-E11 PolarHBondContact O-N 3.29Å |
| 8 | M | 39.8 | Very low | 48.5 | Very low | 110 Ų | 110 | 98.9 Ų | 98.9 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -30.3 | 176.2 | -70.7 | -176.2 | 171.9 | 0 | 0 | 112.5 | M3 T4 A12 | M3-M8 HydrophobicContact CB-CE 4.1Å; M3-M8 HydrophobicContact CB-CG 3.95Å; M3-M8 HydrophobicContact SD-CG 4.44Å; T4-M8 PolarHBondContact O-N 3.22Å; M8-A12 WeakPolarHBondContact O-CB 3.49Å; M8-A12 PolarHBondContact O-N 2.63Å |
| 9 | K | 49.8 | Very low | 50 | Low | 98 Ų | 98 | 94.6 Ų | 94.6 | 43% | 0.426 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -75.8 | -48.3 | 177.5 | -77.8 | 170.8 | -173.8 | -175.3 | 0 | 112.3 | M5 E6 E7 E11 A12 E13 | M5-K9 VanDerWaalsContact O-CD 3.29Å; M5-K9 WeakPolarHBondContact O-CD 3.1Å; M5-K9 WeakPolarHBondContact O-CG 3.33Å; M5-K9 PolarHBondContact O-N 3.1Å; E6-K9 PolarHBondContact O-N 3.38Å; E7-K9 PolarHBondContact O-N 3.07Å; K9-E11 PolarHBondContact O-N 3.32Å; K9-A12 PolarHBondContact O-N 3.41Å; K9-E13 WeakPolarHBondContact O-CB 3.47Å; K9-E13 WeakPolarHBondContact O-CG 3.35Å; K9-E13 PolarHBondContact O-N 2.94Å |
| 10 | N | 42.4 | Very low | 51.7 | Low | 85 Ų | 85 | 90.5 Ų | 90.5 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.8 | -39.6 | 175.1 | -72.3 | -20.7 | 0 | 0 | 0 | 110.3 | E6 E7 E13 T14 | E6-N10 PolarHBondContact O-N 3.47Å; E7-N10 PolarHBondContact O-N 3.36Å; N10-E13 PolarHBondContact O-N 3.47Å; N10-T14 VanDerWaalsContact O-CG2 3.29Å; N10-T14 WeakPolarHBondContact O-CG2 3.41Å; N10-T14 PolarHBondContact O-N 2.82Å; N10-T14 PolarHBondContact O-OG1 3.35Å; N10-T14 VanDerWaalsContact O-OG1 3.12Å |
| 11 | E | 41.3 | Very low | 53.6 | Low | 95 Ų | 95 | 86.1 Ų | 86.1 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.3 | -51.5 | 175 | -159 | 171.1 | -152 | 0 | 0 | 110.7 | E7 K9 E13 T14 T15 | E7-E11 WeakPolarHBondContact O-CB 3.31Å; E7-E11 PolarHBondContact O-N 3.29Å; K9-E11 PolarHBondContact O-N 3.32Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 3.05Å; E11-T14 WeakPolarHBondContact CA-OG1 3.44Å; E11-T14 PolarHBondContact O-N 2.59Å; E11-T14 VanDerWaalsContact O-N 3.15Å; E11-T14 PolarHBondContact O-OG1 3.38Å; E11-T15 WeakPolarHBondContact O-CB 3.48Å; E11-T15 PolarHBondContact O-N 3.44Å; E11-T15 PolarHBondContact O-OG1 3.01Å |
| 12 | A | 49.8 | Very low | 55.7 | Low | 56 Ų | 56 | 74.5 Ų | 74.5 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.5 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | M8 K9 T15 S16 | M8-A12 WeakPolarHBondContact O-CB 3.49Å; M8-A12 PolarHBondContact O-N 2.63Å; K9-A12 PolarHBondContact O-N 3.41Å; A12-T15 WeakPolarHBondContact O-CB 3.43Å; A12-T15 PolarHBondContact O-N 2.98Å; A12-S16 WeakPolarHBondContact O-CB 3.38Å; A12-S16 PolarHBondContact O-N 2.92Å; A12-S16 PolarHBondContact O-OG 3.42Å; A12-S16 VanDerWaalsContact O-OG 3.13Å |
| 13 | E | 50.5 | Low | 57.8 | Low | 27 Ų | 27 | 64.4 Ų | 64.4 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 176 | -75.1 | 174.9 | -165.6 | 0 | 0 | 112.1 | K9 N10 E11 S16 M17 Y170 | K9-E13 WeakPolarHBondContact O-CB 3.47Å; K9-E13 WeakPolarHBondContact O-CG 3.35Å; K9-E13 PolarHBondContact O-N 2.94Å; N10-E13 PolarHBondContact O-N 3.47Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 3.05Å; E13-S16 PolarHBondContact O-OG 3.04Å; E13-M17 WeakPolarHBondContact O-CG 3.46Å; E13-M17 PolarHBondContact O-N 2.78Å; E13-Y170 PolarHBondContact OE2-OH 3.06Å |
| 14 | T | 49.7 | Very low | 60 | Low | 83 Ų | 83 | 60.4 Ų | 60.4 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -49.9 | 173.9 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | N10 E11 S16 M17 V18 | N10-T14 VanDerWaalsContact O-CG2 3.29Å; N10-T14 WeakPolarHBondContact O-CG2 3.41Å; N10-T14 PolarHBondContact O-N 2.82Å; N10-T14 PolarHBondContact O-OG1 3.35Å; N10-T14 VanDerWaalsContact O-OG1 3.12Å; E11-T14 WeakPolarHBondContact CA-OG1 3.44Å; E11-T14 PolarHBondContact O-N 2.59Å; E11-T14 VanDerWaalsContact O-N 3.15Å; E11-T14 PolarHBondContact O-OG1 3.38Å; T14-S16 VanDerWaalsContact C-N 3.35Å; T14-S16 PolarHBondContact O-N 3.21Å; T14-M17 WeakPolarHBondContact O-CB 3.46Å; T14-M17 PolarHBondContact O-N 3.49Å; T14-V18 WeakPolarHBondContact O-CG2 3.19Å; T14-V18 PolarHBondContact O-N 3.29Å; T14-V18 VanDerWaalsContact O-N 3.12Å |
| 15 | T | 49.5 | Very low | 61.4 | Low | 49 Ų | 49 | 58 Ų | 58 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -50.7 | -46.7 | 175.9 | -72.6 | 0 | 0 | 0 | 0 | 112.9 | E11 A12 V18 S19 P56 | E11-T15 WeakPolarHBondContact O-CB 3.48Å; E11-T15 PolarHBondContact O-N 3.44Å; E11-T15 PolarHBondContact O-OG1 3.01Å; A12-T15 WeakPolarHBondContact O-CB 3.43Å; A12-T15 PolarHBondContact O-N 2.98Å; T15-V18 PolarHBondContact O-N 2.69Å; T15-S19 PolarHBondContact O-N 3.39Å; T15-P56 HydrophobicContact CG2-CB 3.5Å; T15-P56 VanDerWaalsContact CG2-CB 3.5Å; T15-P56 HydrophobicContact CG2-CG 3.18Å |
| 16 | S | 56 | Low | 63.5 | Low | 23 Ų | 23 | 51.7 Ų | 51.7 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75 | -30.3 | -177.3 | 65 | 0 | 0 | 0 | 0 | 112.8 | A12 E13 T14 S19 H199 | A12-S16 WeakPolarHBondContact O-CB 3.38Å; A12-S16 PolarHBondContact O-N 2.92Å; A12-S16 PolarHBondContact O-OG 3.42Å; A12-S16 VanDerWaalsContact O-OG 3.13Å; E13-S16 PolarHBondContact O-OG 3.04Å; T14-S16 VanDerWaalsContact C-N 3.35Å; T14-S16 PolarHBondContact O-N 3.21Å; S16-S19 PolarHBondContact O-N 2.94Å; S16-S19 PolarHBondContact O-OG 2.97Å; S16-H199 VanDerWaalsContact CB-CE1 3.46Å; S16-H199 WeakPolarHBondContact CB-CE1 3.33Å; S16-H199 VanDerWaalsContact CB-NE2 3.28Å; S16-H199 WeakPolarHBondContact CB-NE2 3.44Å; S16-H199 PolarHBondContact O-CE1 3.37Å; S16-H199 PolarHBondContact O-ND1 2.96Å; S16-H199 PolarHBondContact OG-CE1 3.35Å; S16-H199 PolarHBondContact OG-NE2 2.96Å |
| 17 | M | 56.7 | Low | 66 | Low | 48 Ų | 48 | 45.5 Ų | 45.5 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 170.9 | -79.4 | -175.3 | 58 | 0 | 0 | 112.1 | E13 T14 S19 M20 R196 H199 | E13-M17 WeakPolarHBondContact O-CG 3.46Å; E13-M17 PolarHBondContact O-N 2.78Å; T14-M17 WeakPolarHBondContact O-CB 3.46Å; T14-M17 PolarHBondContact O-N 3.49Å; M17-S19 PolarHBondContact O-N 3.08Å; M17-M20 WeakPolarHBondContact O-CB 3.43Å; M17-M20 PolarHBondContact O-N 2.91Å; M17-M20 VanDerWaalsContact O-N 3.16Å; M17-R196 HydrophobicContact CE-CB 4.4Å; M17-R196 HydrophobicContact CE-CG 3.2Å; M17-R196 HydrophobicContact SD-CG 3.54Å; M17-R196 VanDerWaalsContact SD-CG 3.54Å; M17-H199 HydrophobicContact CG-CB 4.36Å |
| 18 | V | 59.2 | Low | 68.7 | Low | 39 Ų | 39 | 43.5 Ų | 43.5 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.9 | -15.5 | -179.2 | -127.2 | 0 | 0 | 0 | 0 | 112.9 | T14 T15 P21 P56 G57 | T14-V18 WeakPolarHBondContact O-CG2 3.19Å; T14-V18 PolarHBondContact O-N 3.29Å; T14-V18 VanDerWaalsContact O-N 3.12Å; T15-V18 PolarHBondContact O-N 2.69Å; V18-P21 VanDerWaalsContact O-CD 3.22Å; V18-P21 WeakPolarHBondContact O-CD 2.97Å; V18-P56 HydrophobicContact CG2-CB 4.48Å; V18-G57 VanDerWaalsContact CB-CA 3.46Å |
| 19 | S | 77 | Confident | 71.2 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 12% | 0.119 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4 | 174.7 | 69.6 | 0 | 0 | 0 | 0 | 114.1 | T15 S16 M17 P21 L22 Y23 E52 | T15-S19 PolarHBondContact O-N 3.39Å; S16-S19 PolarHBondContact O-N 2.94Å; S16-S19 PolarHBondContact O-OG 2.97Å; M17-S19 PolarHBondContact O-N 3.08Å; S19-P21 VanDerWaalsContact C-CD 3.46Å; S19-P21 VanDerWaalsContact C-N 3.34Å; S19-L22 VanDerWaalsContact O-CB 3.24Å; S19-L22 WeakPolarHBondContact O-CB 3.45Å; S19-L22 PolarHBondContact O-N 2.99Å; S19-Y23 WeakPolarHBondContact O-CD2 3.28Å; S19-E52 VanDerWaalsContact CA-OE1 3.31Å; S19-E52 WeakPolarHBondContact CA-OE1 3.49Å; S19-E52 WeakPolarHBondContact CB-OE1 3.08Å |
| 20 | M | 84.4 | Confident | 73.4 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 5% | 0.054 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.2 | -40.7 | 174.6 | -169.1 | -170 | -68.5 | 0 | 0 | 113.3 | M17 L22 Y23 A24 L80 A84 N195 I198 H199 | M17-M20 WeakPolarHBondContact O-CB 3.43Å; M17-M20 PolarHBondContact O-N 2.91Å; M17-M20 VanDerWaalsContact O-N 3.16Å; M20-L22 PolarHBondContact O-N 3.49Å; M20-Y23 PolarHBondContact O-N 3.22Å; M20-Y23 VanDerWaalsContact O-N 3.13Å; M20-A24 HydrophobicContact CG-CB 4.42Å; M20-A24 WeakPolarHBondContact O-CB 3.34Å; M20-A24 PolarHBondContact O-N 3.48Å; M20-L80 HydrophobicContact CG-CD1 4.38Å; M20-L80 HydrophobicContact SD-CD1 4.37Å; M20-L80 HydrophobicContact SD-CD2 4.07Å; M20-L80 HydrophobicContact SD-CG 4.04Å; M20-A84 HydrophobicContact SD-CB 3.79Å; M20-N195 HydrophobicContact CE-CB 4.42Å; M20-N195 WeakPolarHBondContact CE-O 3.47Å; M20-I198 HydrophobicContact CE-CB 4.45Å; M20-I198 HydrophobicContact CE-CG2 4.26Å; M20-H199 HydrophobicContact CE-CB 3.58Å |
| 21 | P | 91.1 | Very high | 75.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -28.9 | 175.1 | -27 | 38.4 | 0 | 0 | 0 | 114.4 | V18 S19 V25 M26 T59 Q60 I63 F76 L80 | V18-P21 VanDerWaalsContact O-CD 3.22Å; V18-P21 WeakPolarHBondContact O-CD 2.97Å; S19-P21 VanDerWaalsContact C-CD 3.46Å; S19-P21 VanDerWaalsContact C-N 3.34Å; P21-V25 HydrophobicContact CB-CG2 4.41Å; P21-V25 WeakPolarHBondContact O-CA 3.45Å; P21-V25 WeakPolarHBondContact O-CB 3.29Å; P21-V25 PolarHBondContact O-N 2.91Å; P21-M26 PolarHBondContact O-N 2.88Å; P21-T59 HydrophobicContact CB-CG2 4.47Å; P21-Q60 HydrophobicContact CB-CB 4.49Å; P21-Q60 HydrophobicContact CG-CB 4.04Å; P21-Q60 HydrophobicContact CG-CG 4.2Å; P21-I63 HydrophobicContact CB-CD1 3.71Å; P21-F76 HydrophobicContact CB-CZ 4.06Å; P21-F76 HydrophobicContact CG-CE1 4.18Å; P21-F76 HydrophobicContact CG-CZ 3.83Å; P21-L80 HydrophobicContact CG-CD1 4.29Å; P21-L80 HydrophobicContact CG-CD2 4.14Å |
| 22 | L | 93.1 | Very high | 78.3 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -57.9 | -53.7 | 172.8 | 174 | 62.5 | 0 | 0 | 0 | 110 | S19 M20 M26 Y27 F30 F48 I49 E52 T59 | S19-L22 VanDerWaalsContact O-CB 3.24Å; S19-L22 WeakPolarHBondContact O-CB 3.45Å; S19-L22 PolarHBondContact O-N 2.99Å; M20-L22 PolarHBondContact O-N 3.49Å; L22-M26 HydrophobicContact CD1-CB 4.2Å; L22-M26 WeakPolarHBondContact O-CA 3.25Å; L22-M26 WeakPolarHBondContact O-CB 3.39Å; L22-M26 PolarHBondContact O-N 3.14Å; L22-M26 VanDerWaalsContact O-N 3.1Å; L22-Y27 HydrophobicContact CD1-CD2 4.25Å; L22-Y27 HydrophobicContact CD1-CE2 3.97Å; L22-Y27 HydrophobicContact CD2-CE2 4.41Å; L22-Y27 HydrophobicContact CG-CD2 4.22Å; L22-Y27 HydrophobicContact CG-CE2 3.81Å; L22-Y27 WeakPolarHBondContact O-CD2 3.09Å; L22-Y27 PolarHBondContact O-N 2.94Å; L22-Y27 VanDerWaalsContact O-N 3.08Å; L22-F30 HydrophobicContact CD1-CE2 4.24Å; L22-F48 HydrophobicContact CD1-CB 3.74Å; L22-F48 HydrophobicContact CD1-CD1 4.38Å; L22-F48 HydrophobicContact CD1-CG 4.49Å; L22-I49 HydrophobicContact CD2-CG1 4.19Å; L22-E52 HydrophobicContact CB-CG 4.44Å; L22-E52 HydrophobicContact CD2-CB 3.91Å; L22-E52 HydrophobicContact CD2-CG 3.96Å; L22-T59 HydrophobicContact CB-CG2 4.08Å; L22-T59 HydrophobicContact CD1-CG2 4.43Å |
| 23 | Y | 90.5 | Very high | 80.5 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 15% | 0.153 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -78.8 | -37.2 | -175 | -59.2 | -71 | 0 | 0 | 0 | 113.8 | S19 M20 Y27 V88 E90 Y91 | S19-Y23 WeakPolarHBondContact O-CD2 3.28Å; M20-Y23 PolarHBondContact O-N 3.22Å; M20-Y23 VanDerWaalsContact O-N 3.13Å; Y23-Y27 HydrophobicContact CD1-CD1 4.34Å; Y23-Y27 HydrophobicContact CD1-CD2 4.11Å; Y23-Y27 AromaticContact CD1-CE1 3.94Å; Y23-Y27 HydrophobicContact CD1-CE1 3.94Å; Y23-Y27 AromaticContact CD1-CE2 3.65Å; Y23-Y27 HydrophobicContact CD1-CE2 3.65Å; Y23-Y27 HydrophobicContact CD1-CG 4.41Å; Y23-Y27 AromaticContact CD1-CZ 3.54Å; Y23-Y27 HydrophobicContact CE1-CE1 4.26Å; Y23-Y27 AromaticContact CE1-CE2 3.89Å; Y23-Y27 HydrophobicContact CE1-CE2 3.89Å; Y23-Y27 AromaticContact CE1-CZ 3.58Å; Y23-Y27 WeakPolarHBondContact CE1-OH 3.35Å; Y23-Y27 WeakPolarHBondContact O-CB 3.3Å; Y23-V88 HydrophobicContact CD1-CG1 3.53Å; Y23-V88 HydrophobicContact CE1-CG1 4.39Å; Y23-V88 HydrophobicContact CG-CG1 3.81Å; Y23-E90 HydrophobicContact CD1-CG 4.38Å; Y23-E90 HydrophobicContact CE1-CB 4.04Å; Y23-E90 HydrophobicContact CE1-CG 3.71Å; Y23-Y91 HydrophobicContact CD2-CE2 4.18Å; Y23-Y91 AromaticContact CD2-CZ 3.99Å; Y23-Y91 VanDerWaalsContact CD2-OH 3.27Å; Y23-Y91 WeakPolarHBondContact CD2-OH 3.4Å; Y23-Y91 WeakPolarHBondContact CE2-OH 3.22Å; Y23-Y91 HydrophobicContact CG-CE2 4.32Å |
| 24 | A | 90.8 | Very high | 82.6 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -81.3 | -27.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | M20 L80 M83 | M20-A24 HydrophobicContact CG-CB 4.42Å; M20-A24 WeakPolarHBondContact O-CB 3.34Å; M20-A24 PolarHBondContact O-N 3.48Å; A24-L80 HydrophobicContact CB-CD1 3.72Å; A24-M83 HydrophobicContact CB-CB 4.3Å |
| 25 | V | 92.5 | Very high | 84.9 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -114.7 | -54.8 | -174.2 | -169 | 0 | 0 | 0 | 0 | 111.6 | P21 P28 V29 I63 L80 M83 | P21-V25 HydrophobicContact CB-CG2 4.41Å; P21-V25 WeakPolarHBondContact O-CA 3.45Å; P21-V25 WeakPolarHBondContact O-CB 3.29Å; P21-V25 PolarHBondContact O-N 2.91Å; V25-P28 WeakPolarHBondContact O-CD 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.13Å; V25-I63 HydrophobicContact CB-CD1 3.84Å; V25-I63 HydrophobicContact CG1-CD1 3.95Å; V25-I63 HydrophobicContact CG1-CG1 4.49Å; V25-I63 HydrophobicContact CG2-CD1 4.13Å; V25-L80 HydrophobicContact CG2-CD1 4.16Å; V25-M83 HydrophobicContact CG2-CE 3.5Å; V25-M83 VanDerWaalsContact CG2-CE 3.5Å; V25-M83 HydrophobicContact CG2-SD 4.13Å |
| 26 | M | 93.7 | Very high | 87.1 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -76.1 | -30.3 | -170.6 | -67.2 | -55.1 | -55.7 | 0 | 0 | 113 | P21 L22 V29 F30 F48 T59 I63 | P21-M26 PolarHBondContact O-N 2.88Å; L22-M26 HydrophobicContact CD1-CB 4.2Å; L22-M26 WeakPolarHBondContact O-CA 3.25Å; L22-M26 WeakPolarHBondContact O-CB 3.39Å; L22-M26 PolarHBondContact O-N 3.14Å; L22-M26 VanDerWaalsContact O-N 3.1Å; M26-V29 HydrophobicContact CE-CG1 4.39Å; M26-V29 CarbonylContact O-C 3.52Å; M26-V29 WeakPolarHBondContact O-CA 3.26Å; M26-V29 WeakPolarHBondContact O-CB 3.3Å; M26-V29 PolarHBondContact O-N 3.36Å; M26-F30 HydrophobicContact CB-CD2 4.39Å; M26-F30 HydrophobicContact CB-CE2 3.68Å; M26-F30 HydrophobicContact CB-CZ 3.76Å; M26-F30 HydrophobicContact CE-CE1 3.74Å; M26-F30 HydrophobicContact CE-CZ 3.8Å; M26-F30 WeakPolarHBondContact O-CD2 3.46Å; M26-F30 WeakPolarHBondContact O-CG 3.36Å; M26-F30 PolarHBondContact O-N 2.96Å; M26-F48 HydrophobicContact CE-CE1 4.1Å; M26-F48 HydrophobicContact CE-CE2 4.49Å; M26-F48 HydrophobicContact CE-CZ 4Å; M26-F48 HydrophobicContact CG-CD1 4.44Å; M26-F48 HydrophobicContact CG-CE1 4.35Å; M26-T59 HydrophobicContact CB-CG2 4.45Å; M26-T59 HydrophobicContact CG-CG2 3.47Å; M26-T59 VanDerWaalsContact CG-CG2 3.47Å; M26-I63 HydrophobicContact CG-CD1 4.2Å; M26-I63 HydrophobicContact SD-CD1 4.37Å; M26-I63 HydrophobicContact SD-CG1 4.18Å |
| 27 | Y | 92.3 | Very high | 89.1 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 6% | 0.059 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -49.8 | 178 | -91.3 | -126.4 | 0 | 0 | 0 | 113.9 | L22 Y23 V29 F30 N31 R45 I49 E90 | L22-Y27 HydrophobicContact CD1-CD2 4.25Å; L22-Y27 HydrophobicContact CD1-CE2 3.97Å; L22-Y27 HydrophobicContact CD2-CE2 4.41Å; L22-Y27 HydrophobicContact CG-CD2 4.22Å; L22-Y27 HydrophobicContact CG-CE2 3.81Å; L22-Y27 WeakPolarHBondContact O-CD2 3.09Å; L22-Y27 PolarHBondContact O-N 2.94Å; L22-Y27 VanDerWaalsContact O-N 3.08Å; Y23-Y27 HydrophobicContact CD1-CD1 4.34Å; Y23-Y27 HydrophobicContact CD1-CD2 4.11Å; Y23-Y27 AromaticContact CD1-CE1 3.94Å; Y23-Y27 HydrophobicContact CD1-CE1 3.94Å; Y23-Y27 AromaticContact CD1-CE2 3.65Å; Y23-Y27 HydrophobicContact CD1-CE2 3.65Å; Y23-Y27 HydrophobicContact CD1-CG 4.41Å; Y23-Y27 AromaticContact CD1-CZ 3.54Å; Y23-Y27 HydrophobicContact CE1-CE1 4.26Å; Y23-Y27 AromaticContact CE1-CE2 3.89Å; Y23-Y27 HydrophobicContact CE1-CE2 3.89Å; Y23-Y27 AromaticContact CE1-CZ 3.58Å; Y23-Y27 WeakPolarHBondContact CE1-OH 3.35Å; Y23-Y27 WeakPolarHBondContact O-CB 3.3Å; Y27-V29 PolarHBondContact O-N 3.31Å; Y27-F30 HydrophobicContact CD2-CD2 4.09Å; Y27-F30 HydrophobicContact CD2-CE2 4.25Å; Y27-F30 PolarHBondContact O-N 3.45Å; Y27-N31 VanDerWaalsContact O-CG 3.28Å; Y27-N31 PolarHBondContact O-N 3Å; Y27-N31 PolarHBondContact O-OD1 3.05Å; Y27-R45 VanDerWaalsContact CE1-NH2 3.32Å; Y27-I49 HydrophobicContact CE2-CG1 4.41Å; Y27-I49 WeakPolarHBondContact OH-CD1 3.41Å; Y27-I49 WeakPolarHBondContact OH-CG1 3.47Å; Y27-E90 HydrophobicContact CE1-CG 4.49Å; Y27-E90 WeakPolarHBondContact CE1-OE1 3.44Å; Y27-E90 WeakPolarHBondContact CE1-OE2 3.45Å; Y27-E90 PolarHBondContact OH-OE1 2.89Å |
| 28 | P | 92.2 | Very high | 91 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.9 | -39.9 | 169.4 | -28.6 | 34.7 | 0 | 0 | 0 | 112.7 | V25 N31 E32 | V25-P28 WeakPolarHBondContact O-CD 3.31Å; P28-N31 PolarHBondContact O-N 2.98Å; P28-E32 PolarHBondContact O-N 3.45Å; P28-E32 VanDerWaalsContact O-N 3.09Å |
| 29 | V | 93.8 | Very high | 92.8 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | V25 M26 Y27 E32 L33 | V25-V29 WeakPolarHBondContact O-CG2 3.13Å; M26-V29 HydrophobicContact CE-CG1 4.39Å; M26-V29 CarbonylContact O-C 3.52Å; M26-V29 WeakPolarHBondContact O-CA 3.26Å; M26-V29 WeakPolarHBondContact O-CB 3.3Å; M26-V29 PolarHBondContact O-N 3.36Å; Y27-V29 PolarHBondContact O-N 3.31Å; V29-E32 PolarHBondContact O-N 2.98Å; V29-L33 HydrophobicContact CG1-CD1 4.17Å; V29-L33 HydrophobicContact CG1-CG 4.49Å; V29-L33 WeakPolarHBondContact O-CG 3.29Å; V29-L33 PolarHBondContact O-N 3.44Å |
| 30 | F | 94.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 176.8 | -59.6 | -39 | 0 | 0 | 0 | 111.7 | L22 M26 Y27 E32 L33 E34 L44 R45 F48 | L22-F30 HydrophobicContact CD1-CE2 4.24Å; M26-F30 HydrophobicContact CB-CD2 4.39Å; M26-F30 HydrophobicContact CB-CE2 3.68Å; M26-F30 HydrophobicContact CB-CZ 3.76Å; M26-F30 HydrophobicContact CE-CE1 3.74Å; M26-F30 HydrophobicContact CE-CZ 3.8Å; M26-F30 WeakPolarHBondContact O-CD2 3.46Å; M26-F30 WeakPolarHBondContact O-CG 3.36Å; M26-F30 PolarHBondContact O-N 2.96Å; Y27-F30 HydrophobicContact CD2-CD2 4.09Å; Y27-F30 HydrophobicContact CD2-CE2 4.25Å; Y27-F30 PolarHBondContact O-N 3.45Å; F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 3.07Å; F30-L33 HydrophobicContact CD1-CD1 4.41Å; F30-L33 CarbonylContact O-C 3.58Å; F30-L33 WeakPolarHBondContact O-CA 3.43Å; F30-L33 WeakPolarHBondContact O-CB 3.38Å; F30-L33 PolarHBondContact O-N 3.36Å; F30-E34 WeakPolarHBondContact O-CG 3.36Å; F30-E34 PolarHBondContact O-N 2.94Å; F30-L44 HydrophobicContact CD1-CB 4.27Å; F30-L44 HydrophobicContact CE1-CB 3.99Å; F30-R45 HydrophobicContact CB-CB 4.49Å; F30-R45 HydrophobicContact CD2-CB 3.82Å; F30-R45 HydrophobicContact CD2-CG 3.96Å; F30-R45 HydrophobicContact CE2-CB 4.26Å; F30-R45 HydrophobicContact CE2-CG 4.43Å; F30-R45 HydrophobicContact CG-CB 4.14Å; F30-F48 HydrophobicContact CE1-CD2 4.09Å; F30-F48 HydrophobicContact CE1-CE2 4.34Å; F30-F48 HydrophobicContact CE2-CB 4.18Å; F30-F48 HydrophobicContact CE2-CG 4.44Å; F30-F48 HydrophobicContact CZ-CB 3.84Å; F30-F48 HydrophobicContact CZ-CD1 4.26Å; F30-F48 AromaticContact CZ-CD2 3.61Å; F30-F48 HydrophobicContact CZ-CD2 3.61Å; F30-F48 HydrophobicContact CZ-CE2 4.17Å; F30-F48 AromaticContact CZ-CG 3.64Å; F30-F48 HydrophobicContact CZ-CG 3.64Å |
| 31 | N | 92.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 177.6 | -65.5 | -11.7 | 0 | 0 | 0 | 112 | Y27 P28 E34 | Y27-N31 VanDerWaalsContact O-CG 3.28Å; Y27-N31 PolarHBondContact O-N 3Å; Y27-N31 PolarHBondContact O-OD1 3.05Å; P28-N31 PolarHBondContact O-N 2.98Å; N31-E34 PolarHBondContact O-N 3.29Å |
| 32 | E | 95 | Very high | 94.5 | Very high | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 172.7 | -72.3 | -60.6 | 144.4 | 0 | 0 | 112.1 | P28 V29 F30 E34 R35 | P28-E32 PolarHBondContact O-N 3.45Å; P28-E32 VanDerWaalsContact O-N 3.09Å; V29-E32 PolarHBondContact O-N 2.98Å; F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 3.07Å; E32-E34 VanDerWaalsContact C-N 3.29Å; E32-E34 PolarHBondContact O-N 3.35Å; E32-R35 WeakPolarHBondContact O-CB 3.34Å; E32-R35 PolarHBondContact O-N 2.95Å; E32-R35 IonicContact OE1-CZ 3.11Å; E32-R35 IonicContact OE1-NH1 3.81Å; E32-R35 PolarHBondContact OE1-NH1 3.4Å; E32-R35 IonicContact OE1-NH2 3.72Å; E32-R35 PolarHBondContact OE1-NH2 3.39Å; E32-R35 IonicContact OE2-CZ 2.66Å; E32-R35 IonicContact OE2-NE 2.71Å; E32-R35 IonicContact OE2-NH1 3.95Å; E32-R35 PolarHBondContact OE2-NH1 3.04Å |
| 33 | L | 96.1 | Very high | 94.8 | Very high | 69 Ų | 69 | 64.3 Ų | 64.3 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.5 | -28 | 175.7 | -70.3 | 174.2 | 0 | 0 | 0 | 113.1 | V29 F30 R35 V36 N37 A41 L44 | V29-L33 HydrophobicContact CG1-CD1 4.17Å; V29-L33 HydrophobicContact CG1-CG 4.49Å; V29-L33 WeakPolarHBondContact O-CG 3.29Å; V29-L33 PolarHBondContact O-N 3.44Å; F30-L33 HydrophobicContact CD1-CD1 4.41Å; F30-L33 CarbonylContact O-C 3.58Å; F30-L33 WeakPolarHBondContact O-CA 3.43Å; F30-L33 WeakPolarHBondContact O-CB 3.38Å; F30-L33 PolarHBondContact O-N 3.36Å; L33-R35 PolarHBondContact O-N 2.77Å; L33-V36 WeakPolarHBondContact O-CB 3.49Å; L33-V36 PolarHBondContact O-N 3.47Å; L33-N37 PolarHBondContact O-N 2.87Å; L33-A41 HydrophobicContact CB-CB 3.81Å; L33-L44 HydrophobicContact CD1-CD1 4.16Å |
| 34 | E | 95.7 | Very high | 95 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -31.6 | 176.6 | -73.3 | 179.9 | 178 | 0 | 0 | 112.6 | F30 N31 E32 V36 L38 A41 Q42 | F30-E34 WeakPolarHBondContact O-CG 3.36Å; F30-E34 PolarHBondContact O-N 2.94Å; N31-E34 PolarHBondContact O-N 3.29Å; E32-E34 VanDerWaalsContact C-N 3.29Å; E32-E34 PolarHBondContact O-N 3.35Å; E34-V36 PolarHBondContact O-N 3.09Å; E34-L38 HydrophobicContact CB-CD1 4.04Å; E34-L38 HydrophobicContact CG-CD1 3.8Å; E34-L38 PolarHBondContact O-N 3.06Å; E34-A41 HydrophobicContact CB-CB 4.29Å; E34-A41 HydrophobicContact CG-CB 3.57Å; E34-Q42 PolarHBondContact OE1-NE2 3.13Å |
| 35 | R | 96.2 | Very high | 95.2 | Very high | 192 Ų | 192 | 67.2 Ų | 67.2 | 73% | 0.725 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.1 | -24.5 | 175.2 | -59.5 | -179.4 | 177.7 | 155.5 | 5.9 | 112.6 | E32 L33 | E32-R35 WeakPolarHBondContact O-CB 3.34Å; E32-R35 PolarHBondContact O-N 2.95Å; E32-R35 IonicContact OE1-CZ 3.11Å; E32-R35 IonicContact OE1-NH1 3.81Å; E32-R35 PolarHBondContact OE1-NH1 3.4Å; E32-R35 IonicContact OE1-NH2 3.72Å; E32-R35 PolarHBondContact OE1-NH2 3.39Å; E32-R35 IonicContact OE2-CZ 2.66Å; E32-R35 IonicContact OE2-NE 2.71Å; E32-R35 IonicContact OE2-NH1 3.95Å; E32-R35 PolarHBondContact OE2-NH1 3.04Å; L33-R35 PolarHBondContact O-N 2.77Å |
| 36 | V | 96.5 | Very high | 95.3 | Very high | 127 Ų | 127 | 68.7 Ų | 68.7 | 77% | 0.77 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -91.4 | -49.2 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | L33 E34 | L33-V36 WeakPolarHBondContact O-CB 3.49Å; L33-V36 PolarHBondContact O-N 3.47Å; E34-V36 PolarHBondContact O-N 3.09Å |
| 37 | N | 97.6 | Very high | 95.4 | Very high | 84 Ų | 84 | 70 Ų | 70 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -156.1 | 99.6 | 178 | -172.8 | -36.4 | 0 | 0 | 0 | 110.7 | L33 S39 A40 A41 | L33-N37 PolarHBondContact O-N 2.87Å; N37-S39 VanDerWaalsContact C-N 3.35Å; N37-S39 PolarHBondContact O-N 3.24Å; N37-S39 PolarHBondContact OD1-N 3.27Å; N37-S39 VanDerWaalsContact OD1-N 3.16Å; N37-A40 HydrophobicContact CB-CB 4.02Å; N37-A40 PolarHBondContact O-N 2.98Å; N37-A40 PolarHBondContact OD1-N 3.33Å; N37-A41 WeakPolarHBondContact O-CB 3.43Å; N37-A41 PolarHBondContact O-N 3.04Å |
| 38 | L | 96.4 | Very high | 95.6 | Very high | 107 Ų | 107 | 71.1 Ų | 71.1 | 56% | 0.56 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -53.1 | -47.9 | 178.9 | 179.8 | 61.4 | 0 | 0 | 0 | 112.9 | E34 A41 Q42 | E34-L38 HydrophobicContact CB-CD1 4.04Å; E34-L38 HydrophobicContact CG-CD1 3.8Å; E34-L38 PolarHBondContact O-N 3.06Å; L38-A41 PolarHBondContact O-N 3.31Å; L38-Q42 HydrophobicContact CD1-CG 4.01Å; L38-Q42 WeakPolarHBondContact O-CB 3.47Å; L38-Q42 WeakPolarHBondContact O-CG 3.5Å; L38-Q42 PolarHBondContact O-N 3.43Å |
| 39 | S | 97.6 | Very high | 95.6 | Very high | 86 Ų | 86 | 71.2 Ų | 71.2 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.4 | -44.3 | -176 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | N37 T43 | N37-S39 VanDerWaalsContact C-N 3.35Å; N37-S39 PolarHBondContact O-N 3.24Å; N37-S39 PolarHBondContact OD1-N 3.27Å; N37-S39 VanDerWaalsContact OD1-N 3.16Å; S39-T43 WeakPolarHBondContact O-CB 3.47Å; S39-T43 PolarHBondContact O-N 2.73Å; S39-T43 PolarHBondContact O-OG1 3.36Å |
| 40 | A | 96.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 74.3 Ų | 74.3 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N37 T43 L44 | N37-A40 HydrophobicContact CB-CB 4.02Å; N37-A40 PolarHBondContact O-N 2.98Å; N37-A40 PolarHBondContact OD1-N 3.33Å; A40-T43 WeakPolarHBondContact O-CB 3.36Å; A40-T43 PolarHBondContact O-N 3.18Å; A40-L44 WeakPolarHBondContact O-CG 3.44Å; A40-L44 PolarHBondContact O-N 3.16Å |
| 41 | A | 96.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 75.7 Ų | 75.7 | 2% | 0.017 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L33 E34 N37 L38 T43 L44 R45 | L33-A41 HydrophobicContact CB-CB 3.81Å; E34-A41 HydrophobicContact CB-CB 4.29Å; E34-A41 HydrophobicContact CG-CB 3.57Å; N37-A41 WeakPolarHBondContact O-CB 3.43Å; N37-A41 PolarHBondContact O-N 3.04Å; L38-A41 PolarHBondContact O-N 3.31Å; A41-T43 PolarHBondContact O-N 2.96Å; A41-L44 PolarHBondContact O-N 3.21Å; A41-R45 WeakPolarHBondContact O-CB 3.4Å; A41-R45 PolarHBondContact O-N 2.91Å |
| 42 | Q | 95.3 | Very high | 95.6 | Very high | 79 Ų | 79 | 72.4 Ų | 72.4 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.7 | -73.6 | -70.9 | -23.9 | 0 | 0 | 112.3 | E34 L38 R45 A46 | E34-Q42 PolarHBondContact OE1-NE2 3.13Å; L38-Q42 HydrophobicContact CD1-CG 4.01Å; L38-Q42 WeakPolarHBondContact O-CB 3.47Å; L38-Q42 WeakPolarHBondContact O-CG 3.5Å; L38-Q42 PolarHBondContact O-N 3.43Å; Q42-R45 PolarHBondContact O-N 3.08Å; Q42-A46 WeakPolarHBondContact O-CB 3.33Å; Q42-A46 PolarHBondContact O-N 3.17Å |
| 43 | T | 97.5 | Very high | 95.2 | Very high | 91 Ų | 91 | 76.1 Ų | 76.1 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 173.4 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | S39 A40 A41 A47 | S39-T43 WeakPolarHBondContact O-CB 3.47Å; S39-T43 PolarHBondContact O-N 2.73Å; S39-T43 PolarHBondContact O-OG1 3.36Å; A40-T43 WeakPolarHBondContact O-CB 3.36Å; A40-T43 PolarHBondContact O-N 3.18Å; A41-T43 PolarHBondContact O-N 2.96Å; T43-A47 WeakPolarHBondContact O-CB 3.32Å; T43-A47 PolarHBondContact O-N 3.42Å |
| 44 | L | 96.4 | Very high | 95 | Very high | 76 Ų | 76 | 79.5 Ų | 79.5 | 40% | 0.398 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 175.8 | -72.8 | 172.4 | 0 | 0 | 0 | 111.6 | F30 L33 A40 A41 A46 A47 F48 | F30-L44 HydrophobicContact CD1-CB 4.27Å; F30-L44 HydrophobicContact CE1-CB 3.99Å; L33-L44 HydrophobicContact CD1-CD1 4.16Å; A40-L44 WeakPolarHBondContact O-CG 3.44Å; A40-L44 PolarHBondContact O-N 3.16Å; A41-L44 PolarHBondContact O-N 3.21Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 3.03Å; L44-A47 PolarHBondContact O-N 3.18Å; L44-A47 VanDerWaalsContact O-N 3.15Å; L44-F48 WeakPolarHBondContact O-CD2 3.28Å; L44-F48 PolarHBondContact O-N 3.46Å |
| 45 | R | 94.7 | Very high | 94.8 | Very high | 32 Ų | 32 | 81 Ų | 81 | 12% | 0.121 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55 | -50.1 | 176.9 | -177.6 | 174.9 | 177.9 | -177.4 | -4 | 110.8 | Y27 F30 A41 Q42 A47 F48 I49 E89 E90 | Y27-R45 VanDerWaalsContact CE1-NH2 3.32Å; F30-R45 HydrophobicContact CB-CB 4.49Å; F30-R45 HydrophobicContact CD2-CB 3.82Å; F30-R45 HydrophobicContact CD2-CG 3.96Å; F30-R45 HydrophobicContact CE2-CB 4.26Å; F30-R45 HydrophobicContact CE2-CG 4.43Å; F30-R45 HydrophobicContact CG-CB 4.14Å; A41-R45 WeakPolarHBondContact O-CB 3.4Å; A41-R45 PolarHBondContact O-N 2.91Å; Q42-R45 PolarHBondContact O-N 3.08Å; R45-A47 PolarHBondContact O-N 3.42Å; R45-F48 PolarHBondContact O-N 2.93Å; R45-I49 HydrophobicContact CG-CD1 3.9Å; R45-I49 WeakPolarHBondContact O-CD1 3.38Å; R45-I49 VanDerWaalsContact O-CG1 3.24Å; R45-I49 WeakPolarHBondContact O-CG1 3.22Å; R45-I49 PolarHBondContact O-N 3.44Å; R45-E89 IonicContact NH2-OE2 3.13Å; R45-E90 IonicContact CZ-OE1 3.89Å; R45-E90 IonicContact NH2-OE1 2.83Å; R45-E90 PolarHBondContact NH2-OE1 3.16Å |
| 46 | A | 94 | Very high | 94.5 | Very high | 58 Ų | 58 | 73.9 Ų | 73.9 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q42 L44 K50 | Q42-A46 WeakPolarHBondContact O-CB 3.33Å; Q42-A46 PolarHBondContact O-N 3.17Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 3.03Å; A46-K50 WeakPolarHBondContact O-CB 3.5Å; A46-K50 PolarHBondContact O-N 3.2Å |
| 47 | A | 96 | Very high | 94.1 | Very high | 51 Ų | 51 | 68 Ų | 68 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | T43 L44 R45 K50 A51 | T43-A47 WeakPolarHBondContact O-CB 3.32Å; T43-A47 PolarHBondContact O-N 3.42Å; L44-A47 PolarHBondContact O-N 3.18Å; L44-A47 VanDerWaalsContact O-N 3.15Å; R45-A47 PolarHBondContact O-N 3.42Å; A47-K50 PolarHBondContact O-N 2.91Å; A47-A51 WeakPolarHBondContact O-CB 3.35Å; A47-A51 PolarHBondContact O-N 2.82Å |
| 48 | F | 95.8 | Very high | 94 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 17% | 0.167 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 177.4 | -90.7 | -99.8 | 0 | 0 | 0 | 112.2 | L22 M26 F30 L44 R45 K50 A51 E52 T59 I62 | L22-F48 HydrophobicContact CD1-CB 3.74Å; L22-F48 HydrophobicContact CD1-CD1 4.38Å; L22-F48 HydrophobicContact CD1-CG 4.49Å; M26-F48 HydrophobicContact CE-CE1 4.1Å; M26-F48 HydrophobicContact CE-CE2 4.49Å; M26-F48 HydrophobicContact CE-CZ 4Å; M26-F48 HydrophobicContact CG-CD1 4.44Å; M26-F48 HydrophobicContact CG-CE1 4.35Å; F30-F48 HydrophobicContact CE1-CD2 4.09Å; F30-F48 HydrophobicContact CE1-CE2 4.34Å; F30-F48 HydrophobicContact CE2-CB 4.18Å; F30-F48 HydrophobicContact CE2-CG 4.44Å; F30-F48 HydrophobicContact CZ-CB 3.84Å; F30-F48 HydrophobicContact CZ-CD1 4.26Å; F30-F48 AromaticContact CZ-CD2 3.61Å; F30-F48 HydrophobicContact CZ-CD2 3.61Å; F30-F48 HydrophobicContact CZ-CE2 4.17Å; F30-F48 AromaticContact CZ-CG 3.64Å; F30-F48 HydrophobicContact CZ-CG 3.64Å; L44-F48 WeakPolarHBondContact O-CD2 3.28Å; L44-F48 PolarHBondContact O-N 3.46Å; R45-F48 PolarHBondContact O-N 2.93Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 3.34Å; F48-A51 PolarHBondContact O-N 3.42Å; F48-E52 WeakPolarHBondContact O-CB 3.39Å; F48-E52 PolarHBondContact O-N 3.43Å; F48-T59 HydrophobicContact CD1-CG2 4.27Å; F48-T59 HydrophobicContact CE1-CG2 4.44Å; F48-I62 HydrophobicContact CE1-CD1 3.97Å; F48-I62 HydrophobicContact CZ-CD1 4.34Å |
| 49 | I | 91.8 | Very high | 93.8 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 175.3 | -67.1 | 163.1 | 0 | 0 | 0 | 110.6 | L22 Y27 R45 K53 | L22-I49 HydrophobicContact CD2-CG1 4.19Å; Y27-I49 HydrophobicContact CE2-CG1 4.41Å; Y27-I49 WeakPolarHBondContact OH-CD1 3.41Å; Y27-I49 WeakPolarHBondContact OH-CG1 3.47Å; R45-I49 HydrophobicContact CG-CD1 3.9Å; R45-I49 WeakPolarHBondContact O-CD1 3.38Å; R45-I49 VanDerWaalsContact O-CG1 3.24Å; R45-I49 WeakPolarHBondContact O-CG1 3.22Å; R45-I49 PolarHBondContact O-N 3.44Å; I49-K53 WeakPolarHBondContact O-CB 3.42Å; I49-K53 PolarHBondContact O-N 2.89Å |
| 50 | K | 93.4 | Very high | 93.6 | Very high | 130 Ų | 130 | 60.2 Ų | 60.2 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.2 | -48.1 | 179.2 | -174.9 | -179.1 | 174.8 | -175.6 | 0 | 111.3 | A46 A47 F48 E52 K53 E54 | A46-K50 WeakPolarHBondContact O-CB 3.5Å; A46-K50 PolarHBondContact O-N 3.2Å; A47-K50 PolarHBondContact O-N 2.91Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 3.34Å; K50-E52 PolarHBondContact O-N 3.28Å; K50-K53 PolarHBondContact O-N 3.36Å; K50-E54 WeakPolarHBondContact CE-OE1 3.38Å; K50-E54 IonicContact NZ-OE1 3.4Å; K50-E54 WeakPolarHBondContact O-CG 3.38Å; K50-E54 PolarHBondContact O-N 3Å |
| 51 | A | 94.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 62.6 Ų | 62.6 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A47 F48 K53 E54 N55 L58 | A47-A51 WeakPolarHBondContact O-CB 3.35Å; A47-A51 PolarHBondContact O-N 2.82Å; F48-A51 PolarHBondContact O-N 3.42Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-E54 PolarHBondContact O-N 3.28Å; A51-N55 PolarHBondContact O-N 3.17Å; A51-L58 HydrophobicContact CB-CD2 3.62Å |
| 52 | E | 93 | Very high | 93.3 | Very high | 7 Ų | 7 | 65.1 Ų | 65.1 | 3% | 0.033 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 174.9 | -171.9 | 61.6 | -153.4 | 0 | 0 | 111.9 | S19 L22 F48 K50 N55 P56 G57 L58 T59 | S19-E52 VanDerWaalsContact CA-OE1 3.31Å; S19-E52 WeakPolarHBondContact CA-OE1 3.49Å; S19-E52 WeakPolarHBondContact CB-OE1 3.08Å; L22-E52 HydrophobicContact CB-CG 4.44Å; L22-E52 HydrophobicContact CD2-CB 3.91Å; L22-E52 HydrophobicContact CD2-CG 3.96Å; F48-E52 WeakPolarHBondContact O-CB 3.39Å; F48-E52 PolarHBondContact O-N 3.43Å; K50-E52 PolarHBondContact O-N 3.28Å; E52-N55 CarbonylContact O-C 3.6Å; E52-N55 VanDerWaalsContact O-C 3.3Å; E52-P56 VanDerWaalsContact O-CA 3.3Å; E52-P56 WeakPolarHBondContact O-CA 3.49Å; E52-P56 VanDerWaalsContact O-N 3.15Å; E52-G57 PolarHBondContact OE1-N 3.06Å; E52-L58 PolarHBondContact OE2-N 3.48Å; E52-T59 WeakPolarHBondContact OE2-CB 3.33Å; E52-T59 PolarHBondContact OE2-N 2.71Å; E52-T59 PolarHBondContact OE2-OG1 3.1Å |
| 53 | K | 88.1 | Confident | 93.3 | Very high | 179 Ų | 179 | 62 Ų | 62 | 78% | 0.778 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.4 | -37.9 | 175.3 | -176.9 | -179.9 | 177.4 | -178.3 | 0 | 112.4 | I49 K50 A51 | I49-K53 WeakPolarHBondContact O-CB 3.42Å; I49-K53 PolarHBondContact O-N 2.89Å; K50-K53 PolarHBondContact O-N 3.36Å; A51-K53 VanDerWaalsContact C-N 3.34Å |
| 54 | E | 91.7 | Very high | 93.1 | Very high | 140 Ų | 140 | 60.8 Ų | 60.8 | 65% | 0.654 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -79.2 | -32.4 | 179.2 | -72.2 | 176.7 | -173.3 | 0 | 0 | 112.5 | K50 A51 | K50-E54 WeakPolarHBondContact CE-OE1 3.38Å; K50-E54 IonicContact NZ-OE1 3.4Å; K50-E54 WeakPolarHBondContact O-CG 3.38Å; K50-E54 PolarHBondContact O-N 3Å; A51-E54 PolarHBondContact O-N 3.28Å |
| 55 | N | 90.9 | Very high | 93 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -137.1 | 85.1 | 177.9 | -172.1 | 41.5 | 0 | 0 | 0 | 110.9 | A51 E52 G57 L58 | A51-N55 PolarHBondContact O-N 3.17Å; E52-N55 CarbonylContact O-C 3.6Å; E52-N55 VanDerWaalsContact O-C 3.3Å; N55-G57 PolarHBondContact O-N 3.35Å; N55-L58 HydrophobicContact CB-CB 4.33Å; N55-L58 WeakPolarHBondContact O-CB 3.41Å; N55-L58 PolarHBondContact O-N 2.93Å; N55-L58 VanDerWaalsContact O-N 3.13Å |
| 56 | P | 89.2 | Confident | 93 | Very high | 42 Ų | 42 | 66.1 Ų | 66.1 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 130.3 | 179.8 | -27.4 | 36.9 | 0 | 0 | 0 | 112.8 | T15 V18 E52 | T15-P56 HydrophobicContact CG2-CB 3.5Å; T15-P56 VanDerWaalsContact CG2-CB 3.5Å; T15-P56 HydrophobicContact CG2-CG 3.18Å; V18-P56 HydrophobicContact CG2-CB 4.48Å; E52-P56 VanDerWaalsContact O-CA 3.3Å; E52-P56 WeakPolarHBondContact O-CA 3.49Å; E52-P56 VanDerWaalsContact O-N 3.15Å |
| 57 | G | 89.9 | Confident | 93 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -7.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V18 E52 N55 T59 Q60 D61 | V18-G57 VanDerWaalsContact CB-CA 3.46Å; E52-G57 PolarHBondContact OE1-N 3.06Å; N55-G57 PolarHBondContact O-N 3.35Å; G57-T59 PolarHBondContact O-N 2.87Å; G57-Q60 WeakPolarHBondContact O-CB 3.34Å; G57-Q60 PolarHBondContact O-N 3.25Å; G57-D61 PolarHBondContact O-N 2.95Å |
| 58 | L | 93.6 | Very high | 92.9 | Very high | 51 Ų | 51 | 68 Ų | 68 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.5 | -42.2 | 177 | 178.3 | 63.3 | 0 | 0 | 0 | 112 | A51 E52 N55 Q60 D61 I62 | A51-L58 HydrophobicContact CB-CD2 3.62Å; E52-L58 PolarHBondContact OE2-N 3.48Å; N55-L58 HydrophobicContact CB-CB 4.33Å; N55-L58 WeakPolarHBondContact O-CB 3.41Å; N55-L58 PolarHBondContact O-N 2.93Å; N55-L58 VanDerWaalsContact O-N 3.13Å; L58-Q60 VanDerWaalsContact C-N 3.31Å; L58-Q60 PolarHBondContact O-N 3.43Å; L58-D61 PolarHBondContact O-N 2.79Å; L58-I62 HydrophobicContact CD1-CD1 4.11Å; L58-I62 HydrophobicContact CD1-CG1 4.29Å; L58-I62 HydrophobicContact CG-CD1 3.89Å; L58-I62 HydrophobicContact CG-CG1 4.47Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 3.27Å |
| 59 | T | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 179.9 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | P21 L22 M26 F48 E52 G57 I62 I63 | P21-T59 HydrophobicContact CB-CG2 4.47Å; L22-T59 HydrophobicContact CB-CG2 4.08Å; L22-T59 HydrophobicContact CD1-CG2 4.43Å; M26-T59 HydrophobicContact CB-CG2 4.45Å; M26-T59 HydrophobicContact CG-CG2 3.47Å; M26-T59 VanDerWaalsContact CG-CG2 3.47Å; F48-T59 HydrophobicContact CD1-CG2 4.27Å; F48-T59 HydrophobicContact CE1-CG2 4.44Å; E52-T59 WeakPolarHBondContact OE2-CB 3.33Å; E52-T59 PolarHBondContact OE2-N 2.71Å; E52-T59 PolarHBondContact OE2-OG1 3.1Å; G57-T59 PolarHBondContact O-N 2.87Å; T59-I62 PolarHBondContact O-N 3.49Å; T59-I63 HydrophobicContact CG2-CD1 3.84Å; T59-I63 HydrophobicContact CG2-CG1 4.5Å; T59-I63 WeakPolarHBondContact O-CD1 3.47Å; T59-I63 VanDerWaalsContact O-CG1 3.23Å; T59-I63 WeakPolarHBondContact O-CG1 3.47Å; T59-I63 PolarHBondContact O-N 2.98Å |
| 60 | Q | 92.8 | Very high | 93.1 | Very high | 61 Ų | 61 | 79.1 Ų | 79.1 | 29% | 0.285 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.4 | -169.5 | 178 | -76.2 | 0 | 0 | 111.1 | P21 G57 L58 I62 I63 M64 F76 | P21-Q60 HydrophobicContact CB-CB 4.49Å; P21-Q60 HydrophobicContact CG-CB 4.04Å; P21-Q60 HydrophobicContact CG-CG 4.2Å; G57-Q60 WeakPolarHBondContact O-CB 3.34Å; G57-Q60 PolarHBondContact O-N 3.25Å; L58-Q60 VanDerWaalsContact C-N 3.31Å; L58-Q60 PolarHBondContact O-N 3.43Å; Q60-I62 VanDerWaalsContact C-N 3.32Å; Q60-I62 PolarHBondContact O-N 2.92Å; Q60-I63 PolarHBondContact O-N 2.97Å; Q60-M64 HydrophobicContact CG-CG 4.31Å; Q60-M64 WeakPolarHBondContact O-CB 3.35Å; Q60-M64 VanDerWaalsContact O-CG 3.27Å; Q60-M64 WeakPolarHBondContact O-CG 3.43Å; Q60-M64 PolarHBondContact O-N 2.87Å; Q60-F76 HydrophobicContact CG-CE1 3.7Å; Q60-F76 HydrophobicContact CG-CZ 4.03Å |
| 61 | D | 93.2 | Very high | 93.1 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 179.9 | -72.1 | -15.8 | 0 | 0 | 0 | 111.7 | G57 L58 M64 K65 | G57-D61 PolarHBondContact O-N 2.95Å; L58-D61 PolarHBondContact O-N 2.79Å; D61-M64 PolarHBondContact O-N 3.18Å; D61-K65 WeakPolarHBondContact O-CB 3.17Å; D61-K65 VanDerWaalsContact O-CG 3.23Å; D61-K65 WeakPolarHBondContact O-CG 3.49Å; D61-K65 PolarHBondContact O-N 3.26Å |
| 62 | I | 94.5 | Very high | 93.1 | Very high | 55 Ų | 55 | 79.6 Ų | 79.6 | 28% | 0.282 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 175.2 | -70.1 | 168.2 | 0 | 0 | 0 | 110.5 | F48 L58 T59 Q60 M64 K65 I66 | F48-I62 HydrophobicContact CE1-CD1 3.97Å; F48-I62 HydrophobicContact CZ-CD1 4.34Å; L58-I62 HydrophobicContact CD1-CD1 4.11Å; L58-I62 HydrophobicContact CD1-CG1 4.29Å; L58-I62 HydrophobicContact CG-CD1 3.89Å; L58-I62 HydrophobicContact CG-CG1 4.47Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 3.27Å; T59-I62 PolarHBondContact O-N 3.49Å; Q60-I62 VanDerWaalsContact C-N 3.32Å; Q60-I62 PolarHBondContact O-N 2.92Å; I62-M64 PolarHBondContact O-N 3.32Å; I62-K65 PolarHBondContact O-N 2.74Å; I62-I66 HydrophobicContact CG2-CD1 3.85Å; I62-I66 VanDerWaalsContact O-CG1 3.31Å; I62-I66 WeakPolarHBondContact O-CG1 3.5Å; I62-I66 PolarHBondContact O-N 2.99Å |
| 63 | I | 93.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 88.7 Ų | 88.7 | 7% | 0.072 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | -179.9 | -67 | 161 | 0 | 0 | 0 | 110.4 | P21 V25 M26 T59 Q60 K65 I66 L67 F76 | P21-I63 HydrophobicContact CB-CD1 3.71Å; V25-I63 HydrophobicContact CB-CD1 3.84Å; V25-I63 HydrophobicContact CG1-CD1 3.95Å; V25-I63 HydrophobicContact CG1-CG1 4.49Å; V25-I63 HydrophobicContact CG2-CD1 4.13Å; M26-I63 HydrophobicContact CG-CD1 4.2Å; M26-I63 HydrophobicContact SD-CD1 4.37Å; M26-I63 HydrophobicContact SD-CG1 4.18Å; T59-I63 HydrophobicContact CG2-CD1 3.84Å; T59-I63 HydrophobicContact CG2-CG1 4.5Å; T59-I63 WeakPolarHBondContact O-CD1 3.47Å; T59-I63 VanDerWaalsContact O-CG1 3.23Å; T59-I63 WeakPolarHBondContact O-CG1 3.47Å; T59-I63 PolarHBondContact O-N 2.98Å; Q60-I63 PolarHBondContact O-N 2.97Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 2.86Å; I63-I66 WeakPolarHBondContact O-CB 3.46Å; I63-I66 PolarHBondContact O-N 3.2Å; I63-I66 VanDerWaalsContact O-N 3.16Å; I63-L67 HydrophobicContact CG2-CD1 4.05Å; I63-L67 HydrophobicContact CG2-CG 4.38Å; I63-L67 WeakPolarHBondContact O-CG 3.23Å; I63-L67 PolarHBondContact O-N 3.35Å; I63-F76 HydrophobicContact CB-CE2 4.5Å; I63-F76 HydrophobicContact CG2-CD2 4.37Å; I63-F76 HydrophobicContact CG2-CE2 3.71Å |
| 64 | M | 93.1 | Very high | 93.1 | Very high | 65 Ų | 65 | 83.8 Ų | 83.8 | 32% | 0.32 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 177.8 | -71.1 | -60.7 | -63.5 | 0 | 0 | 111.5 | Q60 D61 I62 I66 L67 E68 F76 | Q60-M64 HydrophobicContact CG-CG 4.31Å; Q60-M64 WeakPolarHBondContact O-CB 3.35Å; Q60-M64 VanDerWaalsContact O-CG 3.27Å; Q60-M64 WeakPolarHBondContact O-CG 3.43Å; Q60-M64 PolarHBondContact O-N 2.87Å; D61-M64 PolarHBondContact O-N 3.18Å; I62-M64 PolarHBondContact O-N 3.32Å; M64-I66 VanDerWaalsContact C-N 3.33Å; M64-I66 PolarHBondContact O-N 3.38Å; M64-L67 PolarHBondContact O-N 3.03Å; M64-L67 HydrophobicContact SD-CD1 4.45Å; M64-E68 WeakPolarHBondContact O-CB 3.31Å; M64-E68 WeakPolarHBondContact O-CG 3.45Å; M64-E68 PolarHBondContact O-N 2.91Å; M64-F76 HydrophobicContact SD-CB 3.84Å; M64-F76 HydrophobicContact SD-CD1 4.1Å; M64-F76 HydrophobicContact SD-CD2 4.02Å; M64-F76 HydrophobicContact SD-CG 3.7Å |
| 65 | K | 95.2 | Very high | 93.1 | Very high | 128 Ų | 128 | 79.9 Ų | 79.9 | 56% | 0.557 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.1 | -34.3 | 176.4 | -71.1 | -72 | 159.8 | -146 | 0 | 112.9 | D61 I62 I63 E68 K69 | D61-K65 WeakPolarHBondContact O-CB 3.17Å; D61-K65 VanDerWaalsContact O-CG 3.23Å; D61-K65 WeakPolarHBondContact O-CG 3.49Å; D61-K65 PolarHBondContact O-N 3.26Å; I62-K65 PolarHBondContact O-N 2.74Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 2.86Å; K65-E68 WeakPolarHBondContact CD-OE2 3.32Å; K65-E68 IonicContact NZ-OE1 2.75Å; K65-E68 IonicContact NZ-OE2 2.71Å; K65-E68 PolarHBondContact NZ-OE2 2.77Å; K65-K69 WeakPolarHBondContact O-CB 3.44Å; K65-K69 PolarHBondContact O-N 2.87Å |
| 66 | I | 94.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 76.9 Ų | 76.9 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 173.7 | -68.7 | 166.3 | 0 | 0 | 0 | 110.4 | I62 I63 M64 K69 K70 | I62-I66 HydrophobicContact CG2-CD1 3.85Å; I62-I66 VanDerWaalsContact O-CG1 3.31Å; I62-I66 WeakPolarHBondContact O-CG1 3.5Å; I62-I66 PolarHBondContact O-N 2.99Å; I63-I66 WeakPolarHBondContact O-CB 3.46Å; I63-I66 PolarHBondContact O-N 3.2Å; I63-I66 VanDerWaalsContact O-N 3.16Å; M64-I66 VanDerWaalsContact C-N 3.33Å; M64-I66 PolarHBondContact O-N 3.38Å; I66-K69 PolarHBondContact O-N 3.19Å; I66-K70 HydrophobicContact CG2-CG 4.47Å; I66-K70 WeakPolarHBondContact O-CB 3.36Å; I66-K70 WeakPolarHBondContact O-CG 3.49Å; I66-K70 PolarHBondContact O-N 2.84Å |
| 67 | L | 94.1 | Very high | 93.3 | Very high | 40 Ų | 40 | 76.6 Ų | 76.6 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 178.7 | -67.7 | 172.8 | 0 | 0 | 0 | 111.5 | I63 M64 K69 K70 S71 V72 V74 F76 | I63-L67 HydrophobicContact CG2-CD1 4.05Å; I63-L67 HydrophobicContact CG2-CG 4.38Å; I63-L67 WeakPolarHBondContact O-CG 3.23Å; I63-L67 PolarHBondContact O-N 3.35Å; M64-L67 PolarHBondContact O-N 3.03Å; M64-L67 HydrophobicContact SD-CD1 4.45Å; L67-K69 PolarHBondContact O-N 2.93Å; L67-K70 CarbonylContact O-C 3.55Å; L67-K70 PolarHBondContact O-N 3.33Å; L67-S71 PolarHBondContact O-N 3.5Å; L67-V72 HydrophobicContact CD2-CB 4Å; L67-V72 HydrophobicContact CD2-CG1 3.9Å; L67-V72 PolarHBondContact O-N 3.46Å; L67-V74 HydrophobicContact CD1-CG2 3.87Å; L67-V74 HydrophobicContact CD2-CG2 4.18Å; L67-F76 HydrophobicContact CD1-CD2 4.13Å |
| 68 | E | 93.3 | Very high | 93.5 | Very high | 107 Ų | 107 | 78.6 Ų | 78.6 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.8 | -49.6 | 173.5 | -75 | 173.9 | -169.5 | 0 | 0 | 111.2 | M64 K65 K70 S71 | M64-E68 WeakPolarHBondContact O-CB 3.31Å; M64-E68 WeakPolarHBondContact O-CG 3.45Å; M64-E68 PolarHBondContact O-N 2.91Å; K65-E68 WeakPolarHBondContact CD-OE2 3.32Å; K65-E68 IonicContact NZ-OE1 2.75Å; K65-E68 IonicContact NZ-OE2 2.71Å; K65-E68 PolarHBondContact NZ-OE2 2.77Å; E68-K70 PolarHBondContact O-N 2.91Å; E68-S71 PolarHBondContact O-N 3.41Å |
| 69 | K | 96.6 | Very high | 93.5 | Very high | 178 Ų | 178 | 77.8 Ų | 77.8 | 77% | 0.774 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.6 | -30.9 | -178.6 | -176.8 | 59.5 | 176.3 | -177.6 | 0 | 112.7 | K65 I66 L67 S71 | K65-K69 WeakPolarHBondContact O-CB 3.44Å; K65-K69 PolarHBondContact O-N 2.87Å; I66-K69 PolarHBondContact O-N 3.19Å; L67-K69 PolarHBondContact O-N 2.93Å; K69-S71 VanDerWaalsContact C-N 3.35Å |
| 70 | K | 95.5 | Very high | 93.5 | Very high | 155 Ų | 155 | 78.3 Ų | 78.3 | 67% | 0.674 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -0.6 | 177 | -66 | -64.5 | -174.4 | 176.4 | 0 | 113.3 | I66 L67 E68 V72 | I66-K70 HydrophobicContact CG2-CG 4.47Å; I66-K70 WeakPolarHBondContact O-CB 3.36Å; I66-K70 WeakPolarHBondContact O-CG 3.49Å; I66-K70 PolarHBondContact O-N 2.84Å; L67-K70 CarbonylContact O-C 3.55Å; L67-K70 PolarHBondContact O-N 3.33Å; E68-K70 PolarHBondContact O-N 2.91Å; K70-V72 HydrophobicContact CB-CG2 3.77Å; K70-V72 PolarHBondContact O-N 2.88Å |
| 71 | S | 93.8 | Very high | 93.5 | Very high | 105 Ų | 105 | 75.4 Ų | 75.4 | 73% | 0.734 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 38.8 | -177.3 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | L67 E68 K69 | L67-S71 PolarHBondContact O-N 3.5Å; E68-S71 PolarHBondContact O-N 3.41Å; K69-S71 VanDerWaalsContact C-N 3.35Å |
| 72 | V | 93.2 | Very high | 93.6 | Very high | 68 Ų | 68 | 75.1 Ų | 75.1 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | trans | -92.3 | 105.7 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 108 | L67 K70 V74 | L67-V72 HydrophobicContact CD2-CB 4Å; L67-V72 HydrophobicContact CD2-CG1 3.9Å; L67-V72 PolarHBondContact O-N 3.46Å; K70-V72 HydrophobicContact CB-CG2 3.77Å; K70-V72 PolarHBondContact O-N 2.88Å; V72-V74 HydrophobicContact CG1-CG1 3.74Å; V72-V74 HydrophobicContact CG1-CG2 4.26Å; V72-V74 PolarHBondContact O-N 3.22Å | ||
| 73 | E | 90.1 | Very high | 93.5 | Very high | 198 Ų | 198 | 75.6 Ų | 75.6 | 93% | 0.925 | 38% | 0.376 | S | S | * | . | trans | -83.1 | 102 | 175.8 | -67.2 | -174.9 | 178.8 | 0 | 0 | 110 | ||||
| 74 | V | 91.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 75.3 Ų | 75.3 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | trans | -134.9 | 146.7 | 175.8 | -69.1 | 0 | 0 | 0 | 0 | 110.5 | L67 V72 F76 | L67-V74 HydrophobicContact CD1-CG2 3.87Å; L67-V74 HydrophobicContact CD2-CG2 4.18Å; V72-V74 HydrophobicContact CG1-CG1 3.74Å; V72-V74 HydrophobicContact CG1-CG2 4.26Å; V72-V74 PolarHBondContact O-N 3.22Å; V74-F76 PolarHBondContact O-N 2.88Å | ||
| 75 | N | 91.7 | Very high | 93.2 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | trans | -74.9 | 93.6 | 167.5 | -178.6 | -13.4 | 0 | 0 | 0 | 109 | T77 E78 S79 | N75-T77 VanDerWaalsContact C-N 3.25Å; N75-T77 PolarHBondContact O-N 2.98Å; N75-T77 PolarHBondContact OD1-N 3.28Å; N75-E78 HydrophobicContact CB-CB 3.8Å; N75-E78 WeakPolarHBondContact ND2-CB 3.42Å; N75-E78 PolarHBondContact ND2-OE2 2.85Å; N75-E78 WeakPolarHBondContact O-CB 3.35Å; N75-E78 PolarHBondContact O-N 3.34Å; N75-E78 VanDerWaalsContact O-N 3.09Å; N75-E78 PolarHBondContact OD1-N 3.34Å; N75-S79 PolarHBondContact O-N 3.24Å; N75-S79 PolarHBondContact O-OG 3.06Å | ||
| 76 | F | 92 | Very high | 92.9 | Very high | 24 Ų | 24 | 71.9 Ų | 71.9 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.3 | -38.9 | -175.4 | -179.4 | -103.9 | 0 | 0 | 0 | 113.3 | P21 Q60 I63 M64 L67 V74 E78 S79 L80 | P21-F76 HydrophobicContact CB-CZ 4.06Å; P21-F76 HydrophobicContact CG-CE1 4.18Å; P21-F76 HydrophobicContact CG-CZ 3.83Å; Q60-F76 HydrophobicContact CG-CE1 3.7Å; Q60-F76 HydrophobicContact CG-CZ 4.03Å; I63-F76 HydrophobicContact CB-CE2 4.5Å; I63-F76 HydrophobicContact CG2-CD2 4.37Å; I63-F76 HydrophobicContact CG2-CE2 3.71Å; M64-F76 HydrophobicContact SD-CB 3.84Å; M64-F76 HydrophobicContact SD-CD1 4.1Å; M64-F76 HydrophobicContact SD-CD2 4.02Å; M64-F76 HydrophobicContact SD-CG 3.7Å; L67-F76 HydrophobicContact CD1-CD2 4.13Å; V74-F76 PolarHBondContact O-N 2.88Å; F76-E78 VanDerWaalsContact C-N 3.35Å; F76-E78 PolarHBondContact O-N 2.98Å; F76-S79 PolarHBondContact O-N 2.88Å; F76-L80 HydrophobicContact CE1-CD2 4.21Å; F76-L80 WeakPolarHBondContact O-CB 3.47Å; F76-L80 PolarHBondContact O-N 3.47Å |
| 77 | T | 92.2 | Very high | 92.4 | Very high | 35 Ų | 35 | 70.4 Ų | 70.4 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | -179.4 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | N75 L81 I188 F191 I192 N195 | N75-T77 VanDerWaalsContact C-N 3.25Å; N75-T77 PolarHBondContact O-N 2.98Å; N75-T77 PolarHBondContact OD1-N 3.28Å; T77-L81 WeakPolarHBondContact O-CB 3.28Å; T77-L81 PolarHBondContact O-N 3.04Å; T77-I188 HydrophobicContact CG2-CD1 4.15Å; T77-F191 HydrophobicContact CG2-CB 3.7Å; T77-I192 HydrophobicContact CG2-CB 4.43Å; T77-I192 HydrophobicContact CG2-CG1 3.67Å; T77-N195 WeakPolarHBondContact CG2-ND2 3.39Å; T77-N195 PolarHBondContact O-ND2 3.09Å |
| 78 | E | 93.8 | Very high | 91.9 | Very high | 47 Ų | 47 | 69.4 Ų | 69.4 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.5 | -44.5 | 177.3 | -171 | -166.3 | 139.6 | 0 | 0 | 111.5 | N75 F76 L80 L81 R82 P118 F191 | N75-E78 HydrophobicContact CB-CB 3.8Å; N75-E78 WeakPolarHBondContact ND2-CB 3.42Å; N75-E78 PolarHBondContact ND2-OE2 2.85Å; N75-E78 WeakPolarHBondContact O-CB 3.35Å; N75-E78 PolarHBondContact O-N 3.34Å; N75-E78 VanDerWaalsContact O-N 3.09Å; N75-E78 PolarHBondContact OD1-N 3.34Å; F76-E78 VanDerWaalsContact C-N 3.35Å; F76-E78 PolarHBondContact O-N 2.98Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 3.5Å; E78-L81 PolarHBondContact O-N 3.18Å; E78-R82 PolarHBondContact O-N 2.93Å; E78-R82 VanDerWaalsContact O-N 3.15Å; E78-R82 IonicContact OE1-CZ 3.76Å; E78-R82 VanDerWaalsContact OE1-CZ 3.22Å; E78-R82 IonicContact OE1-NH1 2.73Å; E78-R82 PolarHBondContact OE1-NH1 3.47Å; E78-R82 IonicContact OE1-NH2 2.81Å; E78-R82 PolarHBondContact OE1-NH2 2.94Å; E78-P118 HydrophobicContact CG-CB 3.64Å; E78-P118 HydrophobicContact CG-CG 3.86Å; E78-F191 HydrophobicContact CB-CD2 3.76Å; E78-F191 HydrophobicContact CB-CE2 3.85Å; E78-F191 HydrophobicContact CB-CG 4.49Å; E78-F191 HydrophobicContact CG-CD2 4.03Å; E78-F191 HydrophobicContact CG-CE2 3.68Å; E78-F191 HydrophobicContact CG-CZ 4.03Å |
| 79 | S | 94.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 70.2 Ų | 70.2 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 174 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | N75 F76 L81 R82 M83 | N75-S79 PolarHBondContact O-N 3.24Å; N75-S79 PolarHBondContact O-OG 3.06Å; F76-S79 PolarHBondContact O-N 2.88Å; S79-L81 VanDerWaalsContact C-N 3.3Å; S79-L81 PolarHBondContact O-N 3.49Å; S79-R82 PolarHBondContact O-N 3.2Å; S79-M83 WeakPolarHBondContact O-CE 3.48Å; S79-M83 WeakPolarHBondContact O-CG 3.38Å; S79-M83 PolarHBondContact O-N 3.14Å; S79-M83 VanDerWaalsContact O-N 3.08Å |
| 80 | L | 93.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 177.1 | -174.9 | 64.8 | 0 | 0 | 0 | 111.3 | M20 P21 A24 V25 F76 E78 R82 M83 A84 | M20-L80 HydrophobicContact CG-CD1 4.38Å; M20-L80 HydrophobicContact SD-CD1 4.37Å; M20-L80 HydrophobicContact SD-CD2 4.07Å; M20-L80 HydrophobicContact SD-CG 4.04Å; P21-L80 HydrophobicContact CG-CD1 4.29Å; P21-L80 HydrophobicContact CG-CD2 4.14Å; A24-L80 HydrophobicContact CB-CD1 3.72Å; V25-L80 HydrophobicContact CG2-CD1 4.16Å; F76-L80 HydrophobicContact CE1-CD2 4.21Å; F76-L80 WeakPolarHBondContact O-CB 3.47Å; F76-L80 PolarHBondContact O-N 3.47Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 3.5Å; L80-R82 VanDerWaalsContact C-N 3.31Å; L80-R82 PolarHBondContact O-N 3.23Å; L80-M83 PolarHBondContact O-N 2.97Å; L80-A84 VanDerWaalsContact O-CB 3.24Å; L80-A84 WeakPolarHBondContact O-CB 3.29Å; L80-A84 PolarHBondContact O-N 3.11Å |
| 81 | L | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 177.7 | -179 | 55.9 | 0 | 0 | 0 | 112.5 | T77 E78 S79 S115 I117 P118 F191 A194 N195 I198 | T77-L81 WeakPolarHBondContact O-CB 3.28Å; T77-L81 PolarHBondContact O-N 3.04Å; E78-L81 PolarHBondContact O-N 3.18Å; S79-L81 VanDerWaalsContact C-N 3.3Å; S79-L81 PolarHBondContact O-N 3.49Å; L81-S115 WeakPolarHBondContact O-CB 3.27Å; L81-I117 HydrophobicContact CD2-CB 4.29Å; L81-P118 HydrophobicContact CB-CG 4.4Å; L81-P118 HydrophobicContact CD2-CG 3.86Å; L81-P118 HydrophobicContact CG-CG 4.17Å; L81-F191 HydrophobicContact CD2-CB 4.2Å; L81-F191 HydrophobicContact CD2-CD1 4.02Å; L81-F191 HydrophobicContact CD2-CG 4.44Å; L81-A194 HydrophobicContact CD1-CB 3.77Å; L81-A194 HydrophobicContact CD2-CB 3.77Å; L81-A194 HydrophobicContact CG-CB 4.47Å; L81-N195 VanDerWaalsContact CA-OD1 3.25Å; L81-N195 WeakPolarHBondContact CA-OD1 3.23Å; L81-N195 PolarHBondContact N-OD1 3.29Å; L81-I198 HydrophobicContact CD1-CD1 3.56Å |
| 82 | R | 95 | Very high | 90.3 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 174.4 | -68.2 | -167.9 | 179.9 | 91 | -1.9 | 111.7 | E78 S79 L80 P118 D119 | E78-R82 PolarHBondContact O-N 2.93Å; E78-R82 VanDerWaalsContact O-N 3.15Å; E78-R82 IonicContact OE1-CZ 3.76Å; E78-R82 VanDerWaalsContact OE1-CZ 3.22Å; E78-R82 IonicContact OE1-NH1 2.73Å; E78-R82 PolarHBondContact OE1-NH1 3.47Å; E78-R82 IonicContact OE1-NH2 2.81Å; E78-R82 PolarHBondContact OE1-NH2 2.94Å; S79-R82 PolarHBondContact O-N 3.2Å; L80-R82 VanDerWaalsContact C-N 3.31Å; L80-R82 PolarHBondContact O-N 3.23Å; R82-P118 HydrophobicContact CG-CB 4.35Å; R82-P118 HydrophobicContact CG-CG 4.07Å; R82-D119 IonicContact CZ-OD1 3.56Å; R82-D119 IonicContact NE-OD1 2.71Å; R82-D119 PolarHBondContact NE-OD1 3.14Å; R82-D119 VanDerWaalsContact NE-OD1 3.13Å; R82-D119 IonicContact NE-OD2 3.22Å; R82-D119 IonicContact NH2-OD1 2.7Å; R82-D119 PolarHBondContact NH2-OD1 2.92Å |
| 83 | M | 92.9 | Very high | 90.2 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.1 | -28.7 | -178.4 | -65.5 | -178.9 | -67 | 0 | 0 | 113.1 | A24 V25 S79 L80 A85 D86 | A24-M83 HydrophobicContact CB-CB 4.3Å; V25-M83 HydrophobicContact CG2-CE 3.5Å; V25-M83 VanDerWaalsContact CG2-CE 3.5Å; V25-M83 HydrophobicContact CG2-SD 4.13Å; S79-M83 WeakPolarHBondContact O-CE 3.48Å; S79-M83 WeakPolarHBondContact O-CG 3.38Å; S79-M83 PolarHBondContact O-N 3.14Å; S79-M83 VanDerWaalsContact O-N 3.08Å; L80-M83 PolarHBondContact O-N 2.97Å; M83-A85 PolarHBondContact O-N 2.77Å; M83-A85 VanDerWaalsContact O-N 3.08Å; M83-D86 PolarHBondContact O-N 3.3Å |
| 84 | A | 90.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 0.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M20 L80 D86 I198 | M20-A84 HydrophobicContact SD-CB 3.79Å; L80-A84 VanDerWaalsContact O-CB 3.24Å; L80-A84 WeakPolarHBondContact O-CB 3.29Å; L80-A84 PolarHBondContact O-N 3.11Å; A84-D86 VanDerWaalsContact C-N 3.29Å; A84-I198 HydrophobicContact CB-CD1 3.93Å; A84-I198 HydrophobicContact CB-CG2 3.99Å |
| 85 | A | 89.7 | Confident | 90 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -33.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M83 S115 | M83-A85 PolarHBondContact O-N 2.77Å; M83-A85 VanDerWaalsContact O-N 3.08Å; A85-S115 WeakPolarHBondContact CB-OG 3.21Å |
| 86 | D | 87.6 | Confident | 90 | Very high | 111 Ų | 111 | 50 Ų | 50 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -70.3 | 157.1 | -171.1 | -68 | -26.7 | 0 | 0 | 0 | 112 | M83 A84 K111 | M83-D86 PolarHBondContact O-N 3.3Å; A84-D86 VanDerWaalsContact C-N 3.29Å; D86-K111 PolarHBondContact O-NZ 3.37Å |
| 87 | D | 84.9 | Confident | 90.1 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 33% | 0.326 | 26% | 0.261 | S | S | . | . | trans | -78.9 | 137.7 | 174.1 | -71.9 | -23.8 | 0 | 0 | 0 | 111.1 | M92 R108 K111 | D87-M92 HydrophobicContact CB-CG 4.26Å; D87-M92 HydrophobicContact CB-SD 4.08Å; D87-R108 IonicContact OD1-NE 3.08Å; D87-R108 IonicContact OD2-CZ 2.79Å; D87-R108 IonicContact OD2-NE 3.7Å; D87-R108 PolarHBondContact OD2-NE 2.94Å; D87-R108 IonicContact OD2-NH2 2.77Å; D87-R108 PolarHBondContact OD2-NH2 3.44Å; D87-K111 IonicContact OD1-NZ 2.94Å; D87-K111 PolarHBondContact OD1-NZ 3.34Å | ||
| 88 | V | 83.5 | Confident | 90.2 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | trans | -112.7 | 116.7 | 176.6 | 177 | 0 | 0 | 0 | 0 | 106.2 | Y23 E90 Y91 M92 | Y23-V88 HydrophobicContact CD1-CG1 3.53Å; Y23-V88 HydrophobicContact CE1-CG1 4.39Å; Y23-V88 HydrophobicContact CG-CG1 3.81Å; V88-E90 HydrophobicContact CG1-CB 4.07Å; V88-E90 WeakPolarHBondContact CG1-OE2 3.2Å; V88-E90 PolarHBondContact O-N 3.09Å; V88-E90 VanDerWaalsContact O-N 3.13Å; V88-Y91 HydrophobicContact CB-CD2 3.66Å; V88-Y91 HydrophobicContact CB-CE2 4.13Å; V88-Y91 HydrophobicContact CG1-CD2 3.8Å; V88-Y91 HydrophobicContact CG1-CE2 3.95Å; V88-Y91 HydrophobicContact CG2-CD2 4.29Å; V88-Y91 HydrophobicContact CG2-CE2 4.44Å; V88-Y91 PolarHBondContact O-N 3.3Å; V88-M92 WeakPolarHBondContact O-CG 3.24Å; V88-M92 PolarHBondContact O-N 3.01Å | ||
| 89 | E | 84.7 | Confident | 90.1 | Very high | 124 Ų | 124 | 53.9 Ų | 53.9 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.3 | -176.9 | -172.9 | 179.4 | -165.1 | 0 | 0 | 112.5 | R45 Y91 M92 K209 | R45-E89 IonicContact NH2-OE2 3.13Å; E89-Y91 PolarHBondContact O-N 2.97Å; E89-M92 PolarHBondContact O-N 3.02Å; E89-K209 PolarHBondContact O-NZ 2.96Å; E89-K209 VanDerWaalsContact O-NZ 3.14Å |
| 90 | E | 83.5 | Confident | 90.1 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.6 | 177.9 | -75.4 | 69.2 | -153.8 | 0 | 0 | 113.3 | Y23 Y27 R45 V88 | Y23-E90 HydrophobicContact CD1-CG 4.38Å; Y23-E90 HydrophobicContact CE1-CB 4.04Å; Y23-E90 HydrophobicContact CE1-CG 3.71Å; Y27-E90 HydrophobicContact CE1-CG 4.49Å; Y27-E90 WeakPolarHBondContact CE1-OE1 3.44Å; Y27-E90 WeakPolarHBondContact CE1-OE2 3.45Å; Y27-E90 PolarHBondContact OH-OE1 2.89Å; R45-E90 IonicContact CZ-OE1 3.89Å; R45-E90 IonicContact NH2-OE1 2.83Å; R45-E90 PolarHBondContact NH2-OE1 3.16Å; V88-E90 HydrophobicContact CG1-CB 4.07Å; V88-E90 WeakPolarHBondContact CG1-OE2 3.2Å; V88-E90 PolarHBondContact O-N 3.09Å; V88-E90 VanDerWaalsContact O-N 3.13Å |
| 91 | Y | 86.7 | Confident | 90.2 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -23.1 | 179.6 | -56.5 | -49 | 0 | 0 | 0 | 112.8 | Y23 V88 E89 I93 N202 L205 Q206 | Y23-Y91 HydrophobicContact CD2-CE2 4.18Å; Y23-Y91 AromaticContact CD2-CZ 3.99Å; Y23-Y91 VanDerWaalsContact CD2-OH 3.27Å; Y23-Y91 WeakPolarHBondContact CD2-OH 3.4Å; Y23-Y91 WeakPolarHBondContact CE2-OH 3.22Å; Y23-Y91 HydrophobicContact CG-CE2 4.32Å; V88-Y91 HydrophobicContact CB-CD2 3.66Å; V88-Y91 HydrophobicContact CB-CE2 4.13Å; V88-Y91 HydrophobicContact CG1-CD2 3.8Å; V88-Y91 HydrophobicContact CG1-CE2 3.95Å; V88-Y91 HydrophobicContact CG2-CD2 4.29Å; V88-Y91 HydrophobicContact CG2-CE2 4.44Å; V88-Y91 PolarHBondContact O-N 3.3Å; E89-Y91 PolarHBondContact O-N 2.97Å; Y91-I93 PolarHBondContact O-N 2.85Å; Y91-N202 HydrophobicContact CD1-CB 4.23Å; Y91-N202 HydrophobicContact CD2-CB 3.53Å; Y91-N202 VanDerWaalsContact CD2-CG 3.48Å; Y91-N202 HydrophobicContact CE1-CB 4.43Å; Y91-N202 HydrophobicContact CE2-CB 3.8Å; Y91-N202 HydrophobicContact CG-CB 3.79Å; Y91-L205 WeakPolarHBondContact O-CB 3.39Å; Y91-Q206 HydrophobicContact CD1-CB 3.96Å; Y91-Q206 HydrophobicContact CD1-CG 4.25Å |
| 92 | M | 89.9 | Confident | 90.3 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 17% | 0.167 | 29% | 0.294 | C | S | . | . | trans | -65.7 | 133.6 | -176.2 | -70.8 | -66.4 | -70.1 | 0 | 0 | 111.9 | D87 V88 E89 N104 K209 | D87-M92 HydrophobicContact CB-CG 4.26Å; D87-M92 HydrophobicContact CB-SD 4.08Å; V88-M92 WeakPolarHBondContact O-CG 3.24Å; V88-M92 PolarHBondContact O-N 3.01Å; E89-M92 PolarHBondContact O-N 3.02Å; M92-N104 HydrophobicContact CE-CB 3.89Å; M92-N104 HydrophobicContact SD-CB 4.39Å; M92-K209 WeakPolarHBondContact O-CD 3.45Å; M92-K209 WeakPolarHBondContact O-CE 3.45Å; M92-K209 PolarHBondContact O-NZ 3.1Å | ||
| 93 | I | 91.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | trans | -84.6 | 117.6 | 177 | -49.2 | 168.7 | 0 | 0 | 0 | 108.3 | Y91 R95 F100 L103 N104 L205 F208 K209 | Y91-I93 PolarHBondContact O-N 2.85Å; I93-R95 HydrophobicContact CG2-CB 3.78Å; I93-R95 HydrophobicContact CG2-CG 3.88Å; I93-R95 PolarHBondContact O-N 3.31Å; I93-F100 HydrophobicContact CD1-CD1 4.14Å; I93-F100 HydrophobicContact CG2-CB 4.07Å; I93-F100 HydrophobicContact CG2-CD1 4.07Å; I93-F100 HydrophobicContact CG2-CG 4.22Å; I93-L103 HydrophobicContact CD1-CD2 3.69Å; I93-L103 HydrophobicContact CD1-CG 4.3Å; I93-N104 PolarHBondContact N-OD1 2.91Å; I93-N104 PolarHBondContact O-ND2 3.15Å; I93-L205 HydrophobicContact CD1-CD2 4.07Å; I93-L205 HydrophobicContact CG1-CB 4.43Å; I93-F208 HydrophobicContact CD1-CB 3.6Å; I93-F208 HydrophobicContact CG1-CB 4.44Å; I93-K209 HydrophobicContact CG1-CB 4.4Å | ||
| 94 | E | 89.9 | Confident | 90.5 | Very high | 145 Ų | 145 | 50.7 Ų | 50.7 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | trans | -81.8 | 11.1 | -176.5 | -68.9 | 159.5 | -137.8 | 0 | 0 | 113.7 | K209 | E94-K209 IonicContact OE1-NZ 3.83Å; E94-K209 PolarHBondContact OE1-NZ 3Å | ||
| 95 | R | 89.1 | Confident | 90.8 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 21% | 0.211 | 28% | 0.284 | C | S | . | . | trans | -80.3 | 127.4 | -173.5 | -80.1 | -169.5 | 70.5 | 164.1 | 6.3 | 111.9 | I93 E97 F100 Q101 | I93-R95 HydrophobicContact CG2-CB 3.78Å; I93-R95 HydrophobicContact CG2-CG 3.88Å; I93-R95 PolarHBondContact O-N 3.31Å; R95-E97 VanDerWaalsContact C-N 3.26Å; R95-E97 VanDerWaalsContact CB-OE2 3.26Å; R95-E97 WeakPolarHBondContact CB-OE2 3.36Å; R95-E97 IonicContact CZ-OE1 3.19Å; R95-E97 IonicContact CZ-OE2 3.44Å; R95-E97 IonicContact NE-OE1 3.31Å; R95-E97 PolarHBondContact NE-OE1 2.78Å; R95-E97 IonicContact NE-OE2 3.39Å; R95-E97 PolarHBondContact NE-OE2 3.48Å; R95-E97 VanDerWaalsContact NE-OE2 3.08Å; R95-E97 IonicContact NH2-OE1 3.89Å; R95-E97 PolarHBondContact NH2-OE1 2.93Å; R95-E97 IonicContact NH2-OE2 2.69Å; R95-E97 PolarHBondContact O-N 3.36Å; R95-F100 HydrophobicContact CB-CB 3.9Å; R95-F100 HydrophobicContact CB-CD2 3.73Å; R95-F100 HydrophobicContact CB-CG 3.85Å; R95-F100 HydrophobicContact CG-CD2 4.43Å; R95-Q101 PolarHBondContact O-NE2 2.86Å | ||
| 96 | P | 90.9 | Very high | 91.2 | Very high | 113 Ų | 113 | 57.3 Ų | 57.3 | 73% | 0.734 | 29% | 0.291 | S | S | * | . | trans | -75.6 | -11.5 | -174.7 | 31.7 | -36.5 | 0 | 0 | 0 | 113.7 | ||||
| 97 | E | 93.5 | Very high | 91.6 | Very high | 56 Ų | 56 | 52 Ų | 52 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -66 | 139.1 | -176 | -53.4 | 90.1 | 145.7 | 0 | 0 | 111.5 | R95 E99 F100 Q101 Y152 | R95-E97 VanDerWaalsContact C-N 3.26Å; R95-E97 VanDerWaalsContact CB-OE2 3.26Å; R95-E97 WeakPolarHBondContact CB-OE2 3.36Å; R95-E97 IonicContact CZ-OE1 3.19Å; R95-E97 IonicContact CZ-OE2 3.44Å; R95-E97 IonicContact NE-OE1 3.31Å; R95-E97 PolarHBondContact NE-OE1 2.78Å; R95-E97 IonicContact NE-OE2 3.39Å; R95-E97 PolarHBondContact NE-OE2 3.48Å; R95-E97 VanDerWaalsContact NE-OE2 3.08Å; R95-E97 IonicContact NH2-OE1 3.89Å; R95-E97 PolarHBondContact NH2-OE1 2.93Å; R95-E97 IonicContact NH2-OE2 2.69Å; R95-E97 PolarHBondContact O-N 3.36Å; E97-E99 PolarHBondContact O-N 3.35Å; E97-F100 HydrophobicContact CB-CD2 3.9Å; E97-F100 HydrophobicContact CB-CE2 4.25Å; E97-F100 PolarHBondContact O-N 2.99Å; E97-Q101 PolarHBondContact O-N 2.91Å; E97-Y152 WeakPolarHBondContact CB-OH 3.34Å |
| 98 | P | 94.2 | Very high | 92.2 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 59% | 0.591 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -54.5 | -33.9 | -171.5 | -28.8 | 35 | 0 | 0 | 0 | 114.4 | F100 Q101 D102 | P98-F100 PolarHBondContact O-N 3.29Å; P98-Q101 PolarHBondContact O-N 3.39Å; P98-D102 WeakPolarHBondContact O-CB 3.49Å; P98-D102 PolarHBondContact O-N 3.11Å |
| 99 | E | 93.4 | Very high | 92.9 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.7 | -30 | -179.2 | -62.8 | 76.8 | -161.1 | 0 | 0 | 113.4 | E97 L103 V148 K151 Y152 | E97-E99 PolarHBondContact O-N 3.35Å; E99-L103 VanDerWaalsContact O-CB 3.31Å; E99-L103 WeakPolarHBondContact O-CB 3.46Å; E99-L103 PolarHBondContact O-N 2.67Å; E99-V148 HydrophobicContact CB-CG2 3.86Å; E99-K151 VanDerWaalsContact CD-CD 3.45Å; E99-K151 HydrophobicContact CG-CD 4.02Å; E99-K151 WeakPolarHBondContact OE1-CD 3.24Å; E99-K151 IonicContact OE1-NZ 2.59Å; E99-K151 PolarHBondContact OE1-NZ 2.91Å; E99-K151 IonicContact OE2-NZ 2.82Å; E99-K151 PolarHBondContact OE2-NZ 3.37Å; E99-Y152 HydrophobicContact CB-CE2 4.21Å; E99-Y152 HydrophobicContact CG-CE2 4.38Å; E99-Y152 PolarHBondContact OE2-OH 3.18Å |
| 100 | F | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -80.1 | -33.6 | 175 | -61.3 | -74 | 0 | 0 | 0 | 111.6 | I93 R95 E97 P98 L103 N104 V148 Y152 Y154 F208 | I93-F100 HydrophobicContact CD1-CD1 4.14Å; I93-F100 HydrophobicContact CG2-CB 4.07Å; I93-F100 HydrophobicContact CG2-CD1 4.07Å; I93-F100 HydrophobicContact CG2-CG 4.22Å; R95-F100 HydrophobicContact CB-CB 3.9Å; R95-F100 HydrophobicContact CB-CD2 3.73Å; R95-F100 HydrophobicContact CB-CG 3.85Å; R95-F100 HydrophobicContact CG-CD2 4.43Å; E97-F100 HydrophobicContact CB-CD2 3.9Å; E97-F100 HydrophobicContact CB-CE2 4.25Å; E97-F100 PolarHBondContact O-N 2.99Å; P98-F100 PolarHBondContact O-N 3.29Å; F100-L103 PolarHBondContact O-N 3.2Å; F100-N104 PolarHBondContact O-N 2.8Å; F100-V148 HydrophobicContact CE1-CG1 3.82Å; F100-V148 HydrophobicContact CZ-CG1 4.11Å; F100-Y152 HydrophobicContact CE2-CD2 4.28Å; F100-Y152 HydrophobicContact CE2-CE1 4.29Å; F100-Y152 AromaticContact CE2-CE2 3.79Å; F100-Y152 HydrophobicContact CE2-CE2 3.79Å; F100-Y152 AromaticContact CE2-CZ 3.81Å; F100-Y152 HydrophobicContact CZ-CD2 4.02Å; F100-Y152 AromaticContact CZ-CE2 3.99Å; F100-Y152 HydrophobicContact CZ-CE2 3.99Å; F100-Y152 HydrophobicContact CZ-CG 4.41Å; F100-Y154 WeakPolarHBondContact CE1-OH 3.47Å; F100-Y154 WeakPolarHBondContact CZ-OH 3.37Å; F100-F208 HydrophobicContact CE1-CD1 4.19Å |
| 101 | Q | 95.3 | Very high | 94.2 | Very high | 76 Ų | 76 | 45 Ų | 45 | 36% | 0.355 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 172.1 | -64.4 | -59.6 | -38 | 0 | 0 | 110.7 | R95 E97 P98 L103 N104 E105 | R95-Q101 PolarHBondContact O-NE2 2.86Å; E97-Q101 PolarHBondContact O-N 2.91Å; P98-Q101 PolarHBondContact O-N 3.39Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 3.13Å; Q101-N104 WeakPolarHBondContact O-CB 3.29Å; Q101-N104 PolarHBondContact O-N 3.25Å; Q101-E105 WeakPolarHBondContact O-CG 3.05Å; Q101-E105 PolarHBondContact O-N 3.32Å |
| 102 | D | 96.3 | Very high | 94.7 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.8 | -41 | 173.2 | -176.1 | 53 | 0 | 0 | 0 | 111.1 | P98 N104 E105 K106 T144 | P98-D102 WeakPolarHBondContact O-CB 3.49Å; P98-D102 PolarHBondContact O-N 3.11Å; D102-N104 PolarHBondContact O-N 3.28Å; D102-E105 PolarHBondContact O-N 3.45Å; D102-K106 WeakPolarHBondContact O-CG 3.13Å; D102-K106 PolarHBondContact O-N 2.85Å; D102-K106 VanDerWaalsContact OD1-CE 3.3Å; D102-K106 WeakPolarHBondContact OD1-CE 3.39Å; D102-T144 HydrophobicContact CB-CG2 4.23Å; D102-T144 WeakPolarHBondContact OD2-CG2 3.47Å; D102-T144 PolarHBondContact OD2-OG1 2.83Å |
| 103 | L | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.8 | -178 | 59.1 | 0 | 0 | 0 | 112.6 | I93 E99 F100 Q101 E105 A107 L141 T144 V145 I204 L205 F208 | I93-L103 HydrophobicContact CD1-CD2 3.69Å; I93-L103 HydrophobicContact CD1-CG 4.3Å; E99-L103 VanDerWaalsContact O-CB 3.31Å; E99-L103 WeakPolarHBondContact O-CB 3.46Å; E99-L103 PolarHBondContact O-N 2.67Å; F100-L103 PolarHBondContact O-N 3.2Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 3.13Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-A107 WeakPolarHBondContact O-CB 3.08Å; L103-A107 PolarHBondContact O-N 3.28Å; L103-L141 HydrophobicContact CD1-CD1 3.56Å; L103-T144 HydrophobicContact CB-CG2 3.9Å; L103-T144 HydrophobicContact CD1-CG2 4.16Å; L103-V145 HydrophobicContact CD1-CG2 3.6Å; L103-I204 HydrophobicContact CD1-CG2 4.44Å; L103-L205 HydrophobicContact CD1-CD2 4.46Å; L103-L205 HydrophobicContact CD2-CD2 4.34Å; L103-L205 HydrophobicContact CG-CD2 3.82Å; L103-F208 HydrophobicContact CD2-CB 4.2Å; L103-F208 HydrophobicContact CD2-CD1 4.35Å; L103-F208 HydrophobicContact CD2-CD2 3.54Å; L103-F208 HydrophobicContact CD2-CE2 3.95Å; L103-F208 HydrophobicContact CD2-CG 3.77Å |
| 104 | N | 95.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 173.5 | -76.5 | -30.8 | 0 | 0 | 0 | 111.1 | M92 I93 F100 Q101 D102 A107 R108 | M92-N104 HydrophobicContact CE-CB 3.89Å; M92-N104 HydrophobicContact SD-CB 4.39Å; I93-N104 PolarHBondContact N-OD1 2.91Å; I93-N104 PolarHBondContact O-ND2 3.15Å; F100-N104 PolarHBondContact O-N 2.8Å; Q101-N104 WeakPolarHBondContact O-CB 3.29Å; Q101-N104 PolarHBondContact O-N 3.25Å; D102-N104 PolarHBondContact O-N 3.28Å; N104-A107 PolarHBondContact O-N 2.75Å; N104-R108 WeakPolarHBondContact O-CB 3.47Å; N104-R108 PolarHBondContact O-N 3.12Å |
| 105 | E | 96.6 | Very high | 95.8 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -46 | 179.6 | -74 | 178.4 | -171.9 | 0 | 0 | 112.5 | Q101 D102 L103 A107 R108 A109 | Q101-E105 WeakPolarHBondContact O-CG 3.05Å; Q101-E105 PolarHBondContact O-N 3.32Å; D102-E105 PolarHBondContact O-N 3.45Å; L103-E105 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 3.49Å; E105-R108 PolarHBondContact O-N 2.78Å; E105-A109 WeakPolarHBondContact O-CB 3.19Å; E105-A109 PolarHBondContact O-N 2.97Å |
| 106 | K | 97.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | 177.5 | -63.7 | -46.2 | -179.3 | 175.9 | 0 | 112.3 | D102 A109 L110 E140 L141 | D102-K106 WeakPolarHBondContact O-CG 3.13Å; D102-K106 PolarHBondContact O-N 2.85Å; D102-K106 VanDerWaalsContact OD1-CE 3.3Å; D102-K106 WeakPolarHBondContact OD1-CE 3.39Å; K106-A109 PolarHBondContact O-N 2.66Å; K106-L110 PolarHBondContact O-N 2.71Å; K106-E140 HydrophobicContact CD-CB 4.17Å; K106-E140 IonicContact NZ-OE2 4Å; K106-E140 PolarHBondContact NZ-OE2 3.21Å; K106-L141 HydrophobicContact CB-CB 4.25Å; K106-L141 HydrophobicContact CB-CD1 3.95Å |
| 107 | A | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L103 N104 E105 L110 K111 L141 T201 L205 | L103-A107 WeakPolarHBondContact O-CB 3.08Å; L103-A107 PolarHBondContact O-N 3.28Å; N104-A107 PolarHBondContact O-N 2.75Å; E105-A107 PolarHBondContact O-N 3.49Å; A107-L110 PolarHBondContact O-N 3.25Å; A107-K111 WeakPolarHBondContact O-CG 3.46Å; A107-K111 PolarHBondContact O-N 3.44Å; A107-L141 HydrophobicContact CB-CD1 4.25Å; A107-T201 HydrophobicContact CB-CG2 3.6Å; A107-L205 HydrophobicContact CB-CD1 3.7Å; A107-L205 HydrophobicContact CB-CD2 3.76Å; A107-L205 HydrophobicContact CB-CG 3.9Å |
| 108 | R | 96.7 | Very high | 96.7 | Very high | 70 Ų | 70 | 37.4 Ų | 37.4 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 175 | -177.5 | -169.9 | -62 | 125.8 | 2.5 | 111.8 | D87 N104 E105 L110 K111 Q112 | D87-R108 IonicContact OD1-NE 3.08Å; D87-R108 IonicContact OD2-CZ 2.79Å; D87-R108 IonicContact OD2-NE 3.7Å; D87-R108 PolarHBondContact OD2-NE 2.94Å; D87-R108 IonicContact OD2-NH2 2.77Å; D87-R108 PolarHBondContact OD2-NH2 3.44Å; N104-R108 WeakPolarHBondContact O-CB 3.47Å; N104-R108 PolarHBondContact O-N 3.12Å; E105-R108 PolarHBondContact O-N 2.78Å; R108-L110 VanDerWaalsContact C-N 3.31Å; R108-L110 PolarHBondContact O-N 3.48Å; R108-K111 PolarHBondContact O-N 2.98Å; R108-Q112 HydrophobicContact CG-CG 4.35Å; R108-Q112 WeakPolarHBondContact O-CB 3.34Å; R108-Q112 WeakPolarHBondContact O-CG 3.49Å; R108-Q112 PolarHBondContact O-N 3.25Å |
| 109 | A | 97.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 28% | 0.281 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.4 | -45.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E105 K106 Q112 I113 | E105-A109 WeakPolarHBondContact O-CB 3.19Å; E105-A109 PolarHBondContact O-N 2.97Å; K106-A109 PolarHBondContact O-N 2.66Å; A109-Q112 PolarHBondContact O-N 3Å; A109-I113 WeakPolarHBondContact O-CD1 3.46Å; A109-I113 VanDerWaalsContact O-CG1 3.24Å; A109-I113 WeakPolarHBondContact O-CG1 3.18Å; A109-I113 PolarHBondContact O-N 2.85Å |
| 110 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 176.4 | 177.5 | 58.2 | 0 | 0 | 0 | 112.2 | K106 A107 R108 Q112 I113 L114 I134 A137 I138 L141 F167 T201 | K106-L110 PolarHBondContact O-N 2.71Å; A107-L110 PolarHBondContact O-N 3.25Å; R108-L110 VanDerWaalsContact C-N 3.31Å; R108-L110 PolarHBondContact O-N 3.48Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 3.2Å; L110-I113 PolarHBondContact O-N 3.05Å; L110-L114 HydrophobicContact CD1-CD1 3.91Å; L110-L114 HydrophobicContact CD1-CG 4.09Å; L110-L114 HydrophobicContact CG-CD1 3.9Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 3.26Å; L110-I134 HydrophobicContact CD1-CG2 4.2Å; L110-A137 HydrophobicContact CB-CB 4.16Å; L110-A137 HydrophobicContact CD1-CB 3.95Å; L110-I138 HydrophobicContact CD1-CG1 3.8Å; L110-I138 HydrophobicContact CD2-CG1 4.09Å; L110-L141 HydrophobicContact CD2-CD2 3.8Å; L110-F167 HydrophobicContact CD2-CE2 3.93Å; L110-F167 HydrophobicContact CD2-CZ 3.69Å; L110-T201 HydrophobicContact CD2-CG2 4.4Å |
| 111 | K | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 177.1 | -68.2 | -174.5 | -61 | 169.1 | 0 | 111.9 | D86 D87 A107 R108 I113 L114 S115 I198 T201 | D86-K111 PolarHBondContact O-NZ 3.37Å; D87-K111 IonicContact OD1-NZ 2.94Å; D87-K111 PolarHBondContact OD1-NZ 3.34Å; A107-K111 WeakPolarHBondContact O-CG 3.46Å; A107-K111 PolarHBondContact O-N 3.44Å; R108-K111 PolarHBondContact O-N 2.98Å; K111-I113 VanDerWaalsContact C-N 3.32Å; K111-I113 PolarHBondContact O-N 3.04Å; K111-L114 PolarHBondContact O-N 2.81Å; K111-S115 PolarHBondContact O-N 2.92Å; K111-S115 PolarHBondContact O-OG 3.2Å; K111-I198 HydrophobicContact CD-CG2 4.05Å; K111-I198 HydrophobicContact CG-CG1 4.32Å; K111-I198 HydrophobicContact CG-CG2 3.98Å; K111-T201 HydrophobicContact CG-CG2 4.36Å |
| 112 | Q | 97.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 41.1 Ų | 41.1 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.6 | -30.2 | 179.3 | -73.9 | -178.9 | -16.7 | 0 | 0 | 113.7 | R108 A109 L110 S115 K116 | R108-Q112 HydrophobicContact CG-CG 4.35Å; R108-Q112 WeakPolarHBondContact O-CB 3.34Å; R108-Q112 WeakPolarHBondContact O-CG 3.49Å; R108-Q112 PolarHBondContact O-N 3.25Å; A109-Q112 PolarHBondContact O-N 3Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 3.2Å; Q112-S115 PolarHBondContact O-OG 2.96Å; Q112-K116 WeakPolarHBondContact O-CE 3.37Å; Q112-K116 WeakPolarHBondContact O-CG 3.4Å |
| 113 | I | 98.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.2 | -42.5 | 174.8 | -60.3 | 160.3 | 0 | 0 | 0 | 109.7 | A109 L110 K111 S115 K116 T130 D133 I134 A137 | A109-I113 WeakPolarHBondContact O-CD1 3.46Å; A109-I113 VanDerWaalsContact O-CG1 3.24Å; A109-I113 WeakPolarHBondContact O-CG1 3.18Å; A109-I113 PolarHBondContact O-N 2.85Å; L110-I113 PolarHBondContact O-N 3.05Å; K111-I113 VanDerWaalsContact C-N 3.32Å; K111-I113 PolarHBondContact O-N 3.04Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 3.37Å; I113-K116 WeakPolarHBondContact O-CB 3.46Å; I113-K116 PolarHBondContact O-N 2.89Å; I113-T130 HydrophobicContact CG2-CG2 4.05Å; I113-D133 HydrophobicContact CD1-CB 4.29Å; I113-D133 HydrophobicContact CG2-CB 3.87Å; I113-I134 HydrophobicContact CB-CG1 4.35Å; I113-I134 HydrophobicContact CG2-CD1 4.46Å; I113-I134 HydrophobicContact CG2-CG1 3.52Å; I113-A137 HydrophobicContact CD1-CB 3.71Å |
| 114 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 177.2 | -72.9 | 168.6 | 0 | 0 | 0 | 112.3 | L110 K111 K116 I117 I134 F174 A194 L197 I198 | L110-L114 HydrophobicContact CD1-CD1 3.91Å; L110-L114 HydrophobicContact CD1-CG 4.09Å; L110-L114 HydrophobicContact CG-CD1 3.9Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 3.26Å; K111-L114 PolarHBondContact O-N 2.81Å; L114-K116 PolarHBondContact O-N 3.13Å; L114-I117 HydrophobicContact CD2-CD1 3.89Å; L114-I117 WeakPolarHBondContact O-CB 3.46Å; L114-I117 WeakPolarHBondContact O-CD1 3.3Å; L114-I117 VanDerWaalsContact O-CG1 3.24Å; L114-I117 WeakPolarHBondContact O-CG1 3.49Å; L114-I117 PolarHBondContact O-N 2.89Å; L114-I134 HydrophobicContact CD2-CD1 3.77Å; L114-I134 HydrophobicContact CD2-CG1 4Å; L114-I134 HydrophobicContact CD2-CG2 4.01Å; L114-I134 HydrophobicContact CG-CG1 4.46Å; L114-F174 HydrophobicContact CD2-CE1 4.39Å; L114-F174 HydrophobicContact CD2-CZ 4.15Å; L114-A194 HydrophobicContact CD2-CB 4.25Å; L114-L197 HydrophobicContact CD1-CB 4.16Å; L114-L197 HydrophobicContact CD1-CD2 3.96Å; L114-L197 HydrophobicContact CD1-CG 3.97Å; L114-L197 HydrophobicContact CD2-CD2 4.1Å; L114-I198 HydrophobicContact CB-CD1 4.01Å; L114-I198 HydrophobicContact CB-CG1 4.03Å; L114-I198 HydrophobicContact CD1-CG1 3.62Å; L114-I198 HydrophobicContact CG-CG1 4.47Å |
| 115 | S | 97.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.3 | 179.7 | 68.7 | 0 | 0 | 0 | 0 | 114.5 | L81 A85 K111 Q112 I113 P118 | L81-S115 WeakPolarHBondContact O-CB 3.27Å; A85-S115 WeakPolarHBondContact CB-OG 3.21Å; K111-S115 PolarHBondContact O-N 2.92Å; K111-S115 PolarHBondContact O-OG 3.2Å; Q112-S115 PolarHBondContact O-OG 2.96Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 3.37Å; S115-P118 VanDerWaalsContact O-CD 3.3Å; S115-P118 WeakPolarHBondContact O-CD 3.37Å |
| 116 | K | 97.8 | Very high | 97.4 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 47% | 0.47 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -14.5 | 174.4 | -64 | 172.7 | -173.6 | -179.7 | 0 | 113.3 | Q112 I113 L114 P118 D119 E120 | Q112-K116 WeakPolarHBondContact O-CE 3.37Å; Q112-K116 WeakPolarHBondContact O-CG 3.4Å; I113-K116 WeakPolarHBondContact O-CB 3.46Å; I113-K116 PolarHBondContact O-N 2.89Å; L114-K116 PolarHBondContact O-N 3.13Å; K116-P118 VanDerWaalsContact C-CD 3.46Å; K116-P118 VanDerWaalsContact C-N 3.34Å; K116-D119 PolarHBondContact O-N 3.43Å; K116-E120 HydrophobicContact CB-CG 4.28Å; K116-E120 WeakPolarHBondContact O-CG 3.49Å; K116-E120 PolarHBondContact O-N 3.16Å; K116-E120 VanDerWaalsContact O-N 3.08Å |
| 117 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.6 | -47.2 | -177.7 | -69.6 | 170.1 | 0 | 0 | 0 | 112.2 | L81 L114 D119 E120 I121 F127 T130 I134 F174 V190 F191 A194 | L81-I117 HydrophobicContact CD2-CB 4.29Å; L114-I117 HydrophobicContact CD2-CD1 3.89Å; L114-I117 WeakPolarHBondContact O-CB 3.46Å; L114-I117 WeakPolarHBondContact O-CD1 3.3Å; L114-I117 VanDerWaalsContact O-CG1 3.24Å; L114-I117 WeakPolarHBondContact O-CG1 3.49Å; L114-I117 PolarHBondContact O-N 2.89Å; I117-D119 PolarHBondContact O-N 2.71Å; I117-E120 PolarHBondContact O-N 3.38Å; I117-I121 HydrophobicContact CG2-CB 4.39Å; I117-I121 HydrophobicContact CG2-CD1 4.15Å; I117-I121 WeakPolarHBondContact O-CB 3.41Å; I117-I121 WeakPolarHBondContact O-CG2 3.46Å; I117-I121 PolarHBondContact O-N 3.36Å; I117-F127 HydrophobicContact CG1-CE2 4.47Å; I117-F127 HydrophobicContact CG2-CE2 4.09Å; I117-T130 HydrophobicContact CG1-CG2 4.32Å; I117-I134 HydrophobicContact CD1-CD1 3.82Å; I117-I134 HydrophobicContact CG1-CD1 4.08Å; I117-F174 HydrophobicContact CD1-CE2 4.06Å; I117-F174 HydrophobicContact CD1-CZ 3.76Å; I117-V190 HydrophobicContact CG2-CG1 3.9Å; I117-F191 HydrophobicContact CG2-CD1 4.04Å; I117-F191 HydrophobicContact CG2-CE1 3.97Å; I117-A194 HydrophobicContact CD1-CB 3.78Å |
| 118 | P | 97.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.8 | -36 | 178.8 | -31 | 40.3 | 0 | 0 | 0 | 115 | E78 L81 R82 S115 K116 F191 | E78-P118 HydrophobicContact CG-CB 3.64Å; E78-P118 HydrophobicContact CG-CG 3.86Å; L81-P118 HydrophobicContact CB-CG 4.4Å; L81-P118 HydrophobicContact CD2-CG 3.86Å; L81-P118 HydrophobicContact CG-CG 4.17Å; R82-P118 HydrophobicContact CG-CB 4.35Å; R82-P118 HydrophobicContact CG-CG 4.07Å; S115-P118 VanDerWaalsContact O-CD 3.3Å; S115-P118 WeakPolarHBondContact O-CD 3.37Å; K116-P118 VanDerWaalsContact C-CD 3.46Å; K116-P118 VanDerWaalsContact C-N 3.34Å; P118-F191 HydrophobicContact CB-CE1 4.43Å; P118-F191 HydrophobicContact CG-CD1 4.47Å; P118-F191 HydrophobicContact CG-CE1 4.28Å |
| 119 | D | 96.8 | Very high | 97.6 | Very high | 100 Ų | 100 | 59.5 Ų | 59.5 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -86.7 | -29.6 | -175.5 | -54.2 | -36.5 | 0 | 0 | 0 | 111.6 | R82 K116 I117 | R82-D119 IonicContact CZ-OD1 3.56Å; R82-D119 IonicContact NE-OD1 2.71Å; R82-D119 PolarHBondContact NE-OD1 3.14Å; R82-D119 VanDerWaalsContact NE-OD1 3.13Å; R82-D119 IonicContact NE-OD2 3.22Å; R82-D119 IonicContact NH2-OD1 2.7Å; R82-D119 PolarHBondContact NH2-OD1 2.92Å; K116-D119 PolarHBondContact O-N 3.43Å; I117-D119 PolarHBondContact O-N 2.71Å |
| 120 | E | 97.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 19% | 0.192 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -94.7 | -21.8 | -175.9 | -56.7 | -61.6 | 177.4 | 0 | 0 | 113.8 | K116 I117 N122 D123 R126 F127 | K116-E120 HydrophobicContact CB-CG 4.28Å; K116-E120 WeakPolarHBondContact O-CG 3.49Å; K116-E120 PolarHBondContact O-N 3.16Å; K116-E120 VanDerWaalsContact O-N 3.08Å; I117-E120 PolarHBondContact O-N 3.38Å; E120-N122 PolarHBondContact O-N 2.82Å; E120-D123 PolarHBondContact O-N 2.92Å; E120-D123 VanDerWaalsContact O-O 3.07Å; E120-R126 HydrophobicContact CB-CB 4.38Å; E120-R126 WeakPolarHBondContact OE2-CB 3.49Å; E120-R126 WeakPolarHBondContact OE2-CD 3.35Å; E120-R126 IonicContact OE2-NH1 2.88Å; E120-F127 WeakPolarHBondContact O-CB 3.3Å |
| 121 | I | 97.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.9 | -169.7 | -166.9 | 159 | 0 | 0 | 0 | 114.6 | I117 F127 Y181 A187 V190 F191 | I117-I121 HydrophobicContact CG2-CB 4.39Å; I117-I121 HydrophobicContact CG2-CD1 4.15Å; I117-I121 WeakPolarHBondContact O-CB 3.41Å; I117-I121 WeakPolarHBondContact O-CG2 3.46Å; I117-I121 PolarHBondContact O-N 3.36Å; I121-F127 HydrophobicContact CB-CD2 4.39Å; I121-F127 HydrophobicContact CB-CE2 4.4Å; I121-F127 HydrophobicContact CD1-CZ 4.12Å; I121-F127 HydrophobicContact CG1-CD1 4.34Å; I121-F127 HydrophobicContact CG1-CD2 4.5Å; I121-F127 HydrophobicContact CG1-CE1 4.04Å; I121-F127 HydrophobicContact CG1-CE2 4.21Å; I121-F127 HydrophobicContact CG1-CZ 3.96Å; I121-Y181 HydrophobicContact CD1-CD2 4.48Å; I121-Y181 HydrophobicContact CD1-CE1 4.31Å; I121-Y181 HydrophobicContact CD1-CE2 3.97Å; I121-Y181 HydrophobicContact CG1-CE1 4.01Å; I121-Y181 HydrophobicContact CG1-CE2 4.17Å; I121-Y181 WeakPolarHBondContact CG1-OH 3.47Å; I121-Y181 PolarHBondContact O-OH 3.39Å; I121-A187 HydrophobicContact CD1-CB 3.82Å; I121-V190 HydrophobicContact CD1-CB 4.02Å; I121-V190 HydrophobicContact CD1-CG1 4.17Å; I121-V190 HydrophobicContact CD1-CG2 4.11Å; I121-F191 HydrophobicContact CD1-CE1 3.92Å; I121-F191 HydrophobicContact CD1-CZ 4.5Å; I121-F191 HydrophobicContact CG2-CE1 4.22Å; I121-F191 HydrophobicContact CG2-CZ 4.23Å |
| 122 | N | 95.4 | Very high | 97.7 | Very high | 142 Ų | 142 | 65.8 Ų | 65.8 | 76% | 0.759 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -17.9 | 179.7 | -63.6 | -50.7 | 0 | 0 | 0 | 113.2 | E120 | E120-N122 PolarHBondContact O-N 2.82Š|
| 123 | D | 97.4 | Very high | 97.7 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -98.4 | 105.7 | 172.7 | -178.4 | -32.3 | 0 | 0 | 0 | 108.8 | E120 V125 R126 F127 | E120-D123 PolarHBondContact O-N 2.92Å; E120-D123 VanDerWaalsContact O-O 3.07Å; D123-V125 VanDerWaalsContact C-N 3.25Å; D123-V125 PolarHBondContact O-N 3.03Å; D123-V125 PolarHBondContact OD1-N 3.28Å; D123-R126 HydrophobicContact CB-CB 4.06Å; D123-R126 HydrophobicContact CB-CG 4.15Å; D123-R126 PolarHBondContact O-N 3.34Å; D123-R126 PolarHBondContact OD1-N 3.38Å; D123-R126 VanDerWaalsContact OD1-N 3.09Å; D123-R126 WeakPolarHBondContact OD2-CD 2.86Å; D123-R126 WeakPolarHBondContact OD2-CG 3.35Å; D123-R126 IonicContact OD2-NE 2.78Å; D123-R126 PolarHBondContact OD2-NE 2.97Å; D123-F127 WeakPolarHBondContact O-CB 3.48Å; D123-F127 PolarHBondContact O-N 3.38Å |
| 124 | R | 95.9 | Very high | 97.7 | Very high | 181 Ų | 181 | 62.9 Ų | 62.9 | 68% | 0.683 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.2 | -37.2 | -175.8 | -174.1 | 174.3 | -178.1 | 173.5 | 1.2 | 113.3 | L128 | R124-L128 HydrophobicContact CG-CD1 4.16Å; R124-L128 WeakPolarHBondContact O-CB 2.94Å; R124-L128 WeakPolarHBondContact O-CG 3.35Å; R124-L128 PolarHBondContact O-N 3.47Å; R124-L128 VanDerWaalsContact O-N 3.11Å |
| 125 | V | 97.7 | Very high | 97.7 | Very high | 115 Ų | 115 | 65.6 Ų | 65.6 | 70% | 0.697 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -72.5 | -48.1 | -176.9 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | D123 L128 Q129 | D123-V125 VanDerWaalsContact C-N 3.25Å; D123-V125 PolarHBondContact O-N 3.03Å; D123-V125 PolarHBondContact OD1-N 3.28Å; V125-L128 PolarHBondContact O-N 3.09Å; V125-Q129 PolarHBondContact O-N 3.14Å |
| 126 | R | 97.9 | Very high | 97.8 | Very high | 145 Ų | 145 | 67.7 Ų | 67.7 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.8 | -61.8 | -177.9 | -170.5 | -158.7 | -2 | 111.7 | E120 D123 L128 Q129 T130 | E120-R126 HydrophobicContact CB-CB 4.38Å; E120-R126 WeakPolarHBondContact OE2-CB 3.49Å; E120-R126 WeakPolarHBondContact OE2-CD 3.35Å; E120-R126 IonicContact OE2-NH1 2.88Å; D123-R126 HydrophobicContact CB-CB 4.06Å; D123-R126 HydrophobicContact CB-CG 4.15Å; D123-R126 PolarHBondContact O-N 3.34Å; D123-R126 PolarHBondContact OD1-N 3.38Å; D123-R126 VanDerWaalsContact OD1-N 3.09Å; D123-R126 WeakPolarHBondContact OD2-CD 2.86Å; D123-R126 WeakPolarHBondContact OD2-CG 3.35Å; D123-R126 IonicContact OD2-NE 2.78Å; D123-R126 PolarHBondContact OD2-NE 2.97Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 3.41Å; R126-Q129 CarbonylContact O-C 3.3Å; R126-Q129 WeakPolarHBondContact O-CA 3.42Å; R126-Q129 WeakPolarHBondContact O-CB 3.47Å; R126-Q129 PolarHBondContact O-N 3.02Å; R126-T130 PolarHBondContact O-N 3.32Å; R126-T130 PolarHBondContact O-OG1 2.89Å; R126-T130 VanDerWaalsContact O-OG1 3.08Å |
| 127 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 177.8 | -172.4 | -139.5 | 0 | 0 | 0 | 112.6 | I117 E120 I121 D123 Q129 T130 I131 L178 Y181 F182 V190 | I117-F127 HydrophobicContact CG1-CE2 4.47Å; I117-F127 HydrophobicContact CG2-CE2 4.09Å; E120-F127 WeakPolarHBondContact O-CB 3.3Å; I121-F127 HydrophobicContact CB-CD2 4.39Å; I121-F127 HydrophobicContact CB-CE2 4.4Å; I121-F127 HydrophobicContact CD1-CZ 4.12Å; I121-F127 HydrophobicContact CG1-CD1 4.34Å; I121-F127 HydrophobicContact CG1-CD2 4.5Å; I121-F127 HydrophobicContact CG1-CE1 4.04Å; I121-F127 HydrophobicContact CG1-CE2 4.21Å; I121-F127 HydrophobicContact CG1-CZ 3.96Å; D123-F127 WeakPolarHBondContact O-CB 3.48Å; D123-F127 PolarHBondContact O-N 3.38Å; F127-Q129 VanDerWaalsContact C-N 3.25Å; F127-Q129 PolarHBondContact O-N 3.46Å; F127-T130 WeakPolarHBondContact O-CB 3.49Å; F127-T130 PolarHBondContact O-N 3.27Å; F127-I131 HydrophobicContact CD1-CD1 3.97Å; F127-I131 HydrophobicContact CD2-CD1 4.34Å; F127-I131 HydrophobicContact CD2-CG1 4.32Å; F127-I131 HydrophobicContact CE1-CD1 3.77Å; F127-I131 HydrophobicContact CE2-CD1 4.15Å; F127-I131 HydrophobicContact CE2-CG1 4.09Å; F127-I131 HydrophobicContact CG-CD1 4.25Å; F127-I131 HydrophobicContact CZ-CD1 3.88Å; F127-I131 HydrophobicContact CZ-CG1 4.25Å; F127-I131 VanDerWaalsContact O-CG1 3.29Å; F127-I131 WeakPolarHBondContact O-CG1 3.36Å; F127-I131 PolarHBondContact O-N 2.89Å; F127-L178 HydrophobicContact CE1-CD2 4.2Å; F127-L178 HydrophobicContact CE2-CD2 4.32Å; F127-L178 HydrophobicContact CZ-CD2 3.49Å; F127-L178 VanDerWaalsContact CZ-CD2 3.49Å; F127-Y181 HydrophobicContact CD1-CE1 4.19Å; F127-Y181 AromaticContact CE1-CD1 3.82Å; F127-Y181 HydrophobicContact CE1-CD1 3.82Å; F127-Y181 AromaticContact CE1-CE1 3.55Å; F127-Y181 HydrophobicContact CE1-CE1 3.55Å; F127-Y181 HydrophobicContact CZ-CD1 4.48Å; F127-Y181 HydrophobicContact CZ-CE1 4.4Å; F127-F182 HydrophobicContact CD1-CE1 4.36Å; F127-F182 AromaticContact CD1-CZ 3.99Å; F127-F182 HydrophobicContact CD1-CZ 3.99Å; F127-F182 HydrophobicContact CE1-CE1 4.44Å; F127-F182 HydrophobicContact CE1-CE2 4.49Å; F127-F182 AromaticContact CE1-CZ 3.92Å; F127-F182 HydrophobicContact CE1-CZ 3.92Å; F127-V190 HydrophobicContact CZ-CG1 4.37Å |
| 128 | L | 98.1 | Very high | 97.8 | Very high | 71 Ų | 71 | 63.8 Ų | 63.8 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.3 | -32.9 | 175 | -75.4 | 173.1 | 0 | 0 | 0 | 112.3 | R124 V125 R126 I131 K132 F182 | R124-L128 HydrophobicContact CG-CD1 4.16Å; R124-L128 WeakPolarHBondContact O-CB 2.94Å; R124-L128 WeakPolarHBondContact O-CG 3.35Å; R124-L128 PolarHBondContact O-N 3.47Å; R124-L128 VanDerWaalsContact O-N 3.11Å; V125-L128 PolarHBondContact O-N 3.09Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 3.41Å; L128-I131 HydrophobicContact CD2-CD1 4.44Å; L128-K132 WeakPolarHBondContact O-CG 3.19Å; L128-K132 PolarHBondContact O-N 3.34Å; L128-F182 HydrophobicContact CD2-CZ 3.99Å |
| 129 | Q | 98.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 70 Ų | 70 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69 | -47 | 172.4 | -171.6 | 56.5 | 45 | 0 | 0 | 111 | V125 R126 F127 I131 K132 D133 | V125-Q129 PolarHBondContact O-N 3.14Å; R126-Q129 CarbonylContact O-C 3.3Å; R126-Q129 WeakPolarHBondContact O-CA 3.42Å; R126-Q129 WeakPolarHBondContact O-CB 3.47Å; R126-Q129 PolarHBondContact O-N 3.02Å; F127-Q129 VanDerWaalsContact C-N 3.25Å; F127-Q129 PolarHBondContact O-N 3.46Å; Q129-I131 VanDerWaalsContact C-N 3.26Å; Q129-I131 PolarHBondContact O-N 3.37Å; Q129-K132 WeakPolarHBondContact O-CB 3.43Å; Q129-K132 PolarHBondContact O-N 3.09Å; Q129-D133 PolarHBondContact NE2-OD1 3.04Å; Q129-D133 VanDerWaalsContact O-CG 3.24Å; Q129-D133 PolarHBondContact O-N 3.41Å |
| 130 | T | 98.3 | Very high | 98 | Very high | 9 Ų | 9 | 69.4 Ų | 69.4 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.7 | -41.7 | 174.5 | -49.8 | 0 | 0 | 0 | 0 | 111.6 | I113 I117 R126 F127 K132 D133 I134 | I113-T130 HydrophobicContact CG2-CG2 4.05Å; I117-T130 HydrophobicContact CG1-CG2 4.32Å; R126-T130 PolarHBondContact O-N 3.32Å; R126-T130 PolarHBondContact O-OG1 2.89Å; R126-T130 VanDerWaalsContact O-OG1 3.08Å; F127-T130 WeakPolarHBondContact O-CB 3.49Å; F127-T130 PolarHBondContact O-N 3.27Å; T130-K132 VanDerWaalsContact C-N 3.35Å; T130-K132 PolarHBondContact O-N 3.01Å; T130-D133 PolarHBondContact O-N 3.03Å; T130-I134 HydrophobicContact CG2-CD1 3.98Å; T130-I134 HydrophobicContact CG2-CG1 4.45Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 2.84Å |
| 131 | I | 98.4 | Very high | 98 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.6 | -69.1 | 166 | 0 | 0 | 0 | 111.7 | F127 L128 Q129 I134 A135 L178 F182 | F127-I131 HydrophobicContact CD1-CD1 3.97Å; F127-I131 HydrophobicContact CD2-CD1 4.34Å; F127-I131 HydrophobicContact CD2-CG1 4.32Å; F127-I131 HydrophobicContact CE1-CD1 3.77Å; F127-I131 HydrophobicContact CE2-CD1 4.15Å; F127-I131 HydrophobicContact CE2-CG1 4.09Å; F127-I131 HydrophobicContact CG-CD1 4.25Å; F127-I131 HydrophobicContact CZ-CD1 3.88Å; F127-I131 HydrophobicContact CZ-CG1 4.25Å; F127-I131 VanDerWaalsContact O-CG1 3.29Å; F127-I131 WeakPolarHBondContact O-CG1 3.36Å; F127-I131 PolarHBondContact O-N 2.89Å; L128-I131 HydrophobicContact CD2-CD1 4.44Å; Q129-I131 VanDerWaalsContact C-N 3.26Å; Q129-I131 PolarHBondContact O-N 3.37Å; I131-I134 PolarHBondContact O-N 3.39Å; I131-A135 WeakPolarHBondContact O-CB 3.42Å; I131-A135 PolarHBondContact O-N 3.12Å; I131-L178 HydrophobicContact CD1-CD1 4.09Å; I131-L178 HydrophobicContact CD1-CD2 4.13Å; I131-L178 HydrophobicContact CG1-CD1 3.9Å; I131-L178 HydrophobicContact CG1-CD2 4.33Å; I131-L178 HydrophobicContact CG2-CD1 4.01Å; I131-F182 HydrophobicContact CD1-CE2 3.97Å; I131-F182 HydrophobicContact CD1-CZ 3.92Å |
| 132 | K | 98.3 | Very high | 98 | Very high | 124 Ų | 124 | 68.6 Ų | 68.6 | 54% | 0.539 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 176.1 | -68.6 | 170.4 | -175.9 | 175 | 0 | 111.6 | L128 Q129 T130 A135 S136 | L128-K132 WeakPolarHBondContact O-CG 3.19Å; L128-K132 PolarHBondContact O-N 3.34Å; Q129-K132 WeakPolarHBondContact O-CB 3.43Å; Q129-K132 PolarHBondContact O-N 3.09Å; T130-K132 VanDerWaalsContact C-N 3.35Å; T130-K132 PolarHBondContact O-N 3.01Å; K132-A135 PolarHBondContact O-N 3.19Å; K132-S136 PolarHBondContact O-N 2.87Å; K132-S136 PolarHBondContact O-OG 3.05Å |
| 133 | D | 98.6 | Very high | 98.1 | Very high | 63 Ų | 63 | 65.4 Ų | 65.4 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 178.3 | -59.8 | -18.3 | 0 | 0 | 0 | 110.3 | I113 Q129 T130 A135 S136 A137 | I113-D133 HydrophobicContact CD1-CB 4.29Å; I113-D133 HydrophobicContact CG2-CB 3.87Å; Q129-D133 PolarHBondContact NE2-OD1 3.04Å; Q129-D133 VanDerWaalsContact O-CG 3.24Å; Q129-D133 PolarHBondContact O-N 3.41Å; T130-D133 PolarHBondContact O-N 3.03Å; D133-A135 PolarHBondContact O-N 3.44Å; D133-S136 PolarHBondContact O-N 3.34Å; D133-A137 WeakPolarHBondContact O-CB 3.43Å; D133-A137 PolarHBondContact O-N 3.25Å |
| 134 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 173 | -68.5 | 162.3 | 0 | 0 | 0 | 110.6 | L110 I113 L114 I117 T130 I131 S136 A137 I138 F174 | L110-I134 HydrophobicContact CD1-CG2 4.2Å; I113-I134 HydrophobicContact CB-CG1 4.35Å; I113-I134 HydrophobicContact CG2-CD1 4.46Å; I113-I134 HydrophobicContact CG2-CG1 3.52Å; L114-I134 HydrophobicContact CD2-CD1 3.77Å; L114-I134 HydrophobicContact CD2-CG1 4Å; L114-I134 HydrophobicContact CD2-CG2 4.01Å; L114-I134 HydrophobicContact CG-CG1 4.46Å; I117-I134 HydrophobicContact CD1-CD1 3.82Å; I117-I134 HydrophobicContact CG1-CD1 4.08Å; T130-I134 HydrophobicContact CG2-CD1 3.98Å; T130-I134 HydrophobicContact CG2-CG1 4.45Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 2.84Å; I131-I134 PolarHBondContact O-N 3.39Å; I134-S136 VanDerWaalsContact C-N 3.26Å; I134-S136 PolarHBondContact O-N 2.89Å; I134-A137 PolarHBondContact O-N 2.81Å; I134-I138 HydrophobicContact CG2-CD1 3.58Å; I134-I138 HydrophobicContact CG2-CG1 4.16Å; I134-I138 WeakPolarHBondContact O-CB 3.38Å; I134-I138 VanDerWaalsContact O-CG1 3.25Å; I134-I138 WeakPolarHBondContact O-CG1 3.21Å; I134-I138 PolarHBondContact O-N 3Å; I134-F174 HydrophobicContact CD1-CE1 4.13Å; I134-F174 HydrophobicContact CD1-CZ 4.07Å; I134-F174 HydrophobicContact CG2-CD1 4.48Å; I134-F174 HydrophobicContact CG2-CE1 3.91Å |
| 135 | A | 98.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I131 K132 D133 K139 | I131-A135 WeakPolarHBondContact O-CB 3.42Å; I131-A135 PolarHBondContact O-N 3.12Å; K132-A135 PolarHBondContact O-N 3.19Å; D133-A135 PolarHBondContact O-N 3.44Å; A135-K139 PolarHBondContact O-N 3.19Å |
| 136 | S | 98.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 176 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | K132 D133 I134 I138 K139 E140 | K132-S136 PolarHBondContact O-N 2.87Å; K132-S136 PolarHBondContact O-OG 3.05Å; D133-S136 PolarHBondContact O-N 3.34Å; I134-S136 VanDerWaalsContact C-N 3.26Å; I134-S136 PolarHBondContact O-N 2.89Å; S136-I138 PolarHBondContact O-N 3.34Å; S136-K139 WeakPolarHBondContact O-CB 3.33Å; S136-K139 PolarHBondContact O-N 3.37Å; S136-K139 VanDerWaalsContact O-N 3.16Å; S136-E140 WeakPolarHBondContact O-CG 3.24Å; S136-E140 PolarHBondContact O-N 3.45Å |
| 137 | A | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L110 I113 D133 I134 K139 E140 L141 | L110-A137 HydrophobicContact CB-CB 4.16Å; L110-A137 HydrophobicContact CD1-CB 3.95Å; I113-A137 HydrophobicContact CD1-CB 3.71Å; D133-A137 WeakPolarHBondContact O-CB 3.43Å; D133-A137 PolarHBondContact O-N 3.25Å; I134-A137 PolarHBondContact O-N 2.81Å; A137-K139 VanDerWaalsContact C-N 3.3Å; A137-K139 PolarHBondContact O-N 3.36Å; A137-E140 PolarHBondContact O-N 3.23Å; A137-L141 WeakPolarHBondContact O-CB 3.39Å; A137-L141 PolarHBondContact O-N 3.38Å |
| 138 | I | 98.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.097 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 172.6 | -72 | 168.1 | 0 | 0 | 0 | 110.3 | L110 I134 S136 L142 F167 L197 | L110-I138 HydrophobicContact CD1-CG1 3.8Å; L110-I138 HydrophobicContact CD2-CG1 4.09Å; I134-I138 HydrophobicContact CG2-CD1 3.58Å; I134-I138 HydrophobicContact CG2-CG1 4.16Å; I134-I138 WeakPolarHBondContact O-CB 3.38Å; I134-I138 VanDerWaalsContact O-CG1 3.25Å; I134-I138 WeakPolarHBondContact O-CG1 3.21Å; I134-I138 PolarHBondContact O-N 3Å; S136-I138 PolarHBondContact O-N 3.34Å; I138-L142 HydrophobicContact CG2-CD1 4.11Å; I138-L142 WeakPolarHBondContact O-CB 3.24Å; I138-L142 WeakPolarHBondContact O-CG 3.35Å; I138-L142 PolarHBondContact O-N 2.99Å; I138-L142 VanDerWaalsContact O-N 3.08Å; I138-F167 HydrophobicContact CG1-CZ 4.35Å; I138-F167 HydrophobicContact CG2-CE1 3.95Å; I138-F167 HydrophobicContact CG2-CZ 4.27Å; I138-L197 HydrophobicContact CD1-CD2 3.85Å; I138-L197 HydrophobicContact CG1-CD2 4.36Å |
| 139 | K | 98.3 | Very high | 97 | Very high | 136 Ų | 136 | 44.7 Ų | 44.7 | 59% | 0.591 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65 | -49.4 | 178.8 | -176.3 | -175 | 173.8 | -170.1 | 0 | 111.1 | A135 S136 A137 L141 L142 D143 | A135-K139 PolarHBondContact O-N 3.19Å; S136-K139 WeakPolarHBondContact O-CB 3.33Å; S136-K139 PolarHBondContact O-N 3.37Å; S136-K139 VanDerWaalsContact O-N 3.16Å; A137-K139 VanDerWaalsContact C-N 3.3Å; A137-K139 PolarHBondContact O-N 3.36Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-L141 PolarHBondContact O-N 3.08Å; K139-L142 PolarHBondContact O-N 2.86Å; K139-D143 PolarHBondContact O-N 3.42Å |
| 140 | E | 98.4 | Very high | 96.5 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.5 | -46 | 178.2 | -72.6 | -178.6 | -160.6 | 0 | 0 | 111.9 | K106 S136 A137 L142 D143 T144 | K106-E140 HydrophobicContact CD-CB 4.17Å; K106-E140 IonicContact NZ-OE2 4Å; K106-E140 PolarHBondContact NZ-OE2 3.21Å; S136-E140 WeakPolarHBondContact O-CG 3.24Å; S136-E140 PolarHBondContact O-N 3.45Å; A137-E140 PolarHBondContact O-N 3.23Å; E140-L142 VanDerWaalsContact C-N 3.35Å; E140-L142 PolarHBondContact O-N 3.02Å; E140-D143 PolarHBondContact O-N 3.11Å; E140-T144 PolarHBondContact O-N 3.28Å; E140-T144 PolarHBondContact O-OG1 3.27Å |
| 141 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.3 | 178.5 | 61.3 | 0 | 0 | 0 | 111.8 | L103 K106 A107 L110 A137 K139 D143 T144 V145 F167 T201 | L103-L141 HydrophobicContact CD1-CD1 3.56Å; K106-L141 HydrophobicContact CB-CB 4.25Å; K106-L141 HydrophobicContact CB-CD1 3.95Å; A107-L141 HydrophobicContact CB-CD1 4.25Å; L110-L141 HydrophobicContact CD2-CD2 3.8Å; A137-L141 WeakPolarHBondContact O-CB 3.39Å; A137-L141 PolarHBondContact O-N 3.38Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-L141 PolarHBondContact O-N 3.08Å; L141-D143 VanDerWaalsContact C-N 3.34Å; L141-D143 PolarHBondContact O-N 2.79Å; L141-T144 PolarHBondContact O-N 2.93Å; L141-V145 HydrophobicContact CD1-CG2 4.48Å; L141-V145 WeakPolarHBondContact O-CB 3.38Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.34Å; L141-V145 PolarHBondContact O-N 3.4Å; L141-F167 HydrophobicContact CD2-CE1 4.3Å; L141-F167 HydrophobicContact CD2-CE2 3.97Å; L141-F167 HydrophobicContact CD2-CZ 3.69Å; L141-T201 HydrophobicContact CD2-CG2 3.91Å |
| 142 | L | 97.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 177.6 | -78.1 | 171 | 0 | 0 | 0 | 112.6 | I138 K139 E140 V145 N146 K164 F167 V168 | I138-L142 HydrophobicContact CG2-CD1 4.11Å; I138-L142 WeakPolarHBondContact O-CB 3.24Å; I138-L142 WeakPolarHBondContact O-CG 3.35Å; I138-L142 PolarHBondContact O-N 2.99Å; I138-L142 VanDerWaalsContact O-N 3.08Å; K139-L142 PolarHBondContact O-N 2.86Å; E140-L142 VanDerWaalsContact C-N 3.35Å; E140-L142 PolarHBondContact O-N 3.02Å; L142-V145 PolarHBondContact O-N 3.48Å; L142-N146 PolarHBondContact O-N 3.41Å; L142-N146 PolarHBondContact O-ND2 2.98Å; L142-K164 HydrophobicContact CD2-CG 3.93Å; L142-F167 HydrophobicContact CD1-CD1 4.47Å; L142-F167 HydrophobicContact CD1-CE1 4.23Å; L142-F167 HydrophobicContact CD2-CD1 3.83Å; L142-F167 HydrophobicContact CD2-CE1 4.12Å; L142-F167 HydrophobicContact CG-CD1 4.12Å; L142-F167 HydrophobicContact CG-CE1 3.9Å; L142-V168 HydrophobicContact CD1-CG2 4.01Å; L142-V168 HydrophobicContact CD2-CG2 3.92Å |
| 143 | D | 97.8 | Very high | 94.5 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.2 | -72.3 | -21.5 | 0 | 0 | 0 | 110.7 | K139 E140 L141 N146 N147 | K139-D143 PolarHBondContact O-N 3.42Å; E140-D143 PolarHBondContact O-N 3.11Å; L141-D143 VanDerWaalsContact C-N 3.34Å; L141-D143 PolarHBondContact O-N 2.79Å; D143-N146 WeakPolarHBondContact O-CB 3.25Å; D143-N146 PolarHBondContact O-N 3.17Å; D143-N147 PolarHBondContact O-N 3.24Å; D143-N147 PolarHBondContact O-ND2 3.25Å |
| 144 | T | 96.6 | Very high | 93.4 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 174 | -62.6 | 0 | 0 | 0 | 0 | 112 | D102 L103 E140 L141 N146 N147 V148 | D102-T144 HydrophobicContact CB-CG2 4.23Å; D102-T144 WeakPolarHBondContact OD2-CG2 3.47Å; D102-T144 PolarHBondContact OD2-OG1 2.83Å; L103-T144 HydrophobicContact CB-CG2 3.9Å; L103-T144 HydrophobicContact CD1-CG2 4.16Å; E140-T144 PolarHBondContact O-N 3.28Å; E140-T144 PolarHBondContact O-OG1 3.27Å; L141-T144 PolarHBondContact O-N 2.93Å; T144-N146 VanDerWaalsContact C-N 3.27Å; T144-N146 PolarHBondContact O-N 3.08Å; T144-N147 WeakPolarHBondContact O-CB 3.18Å; T144-N147 PolarHBondContact O-N 2.97Å; T144-V148 WeakPolarHBondContact O-CG2 3.24Å; T144-V148 PolarHBondContact O-N 3.06Å |
| 145 | V | 95.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.6 | -44 | 173.7 | 165.1 | 0 | 0 | 0 | 0 | 111.1 | L103 L141 L142 N147 V148 F149 K164 I204 F208 | L103-V145 HydrophobicContact CD1-CG2 3.6Å; L141-V145 HydrophobicContact CD1-CG2 4.48Å; L141-V145 WeakPolarHBondContact O-CB 3.38Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.34Å; L141-V145 PolarHBondContact O-N 3.4Å; L142-V145 PolarHBondContact O-N 3.48Å; V145-N147 VanDerWaalsContact C-N 3.35Å; V145-N147 PolarHBondContact O-N 3.47Å; V145-V148 PolarHBondContact O-N 3.4Å; V145-F149 HydrophobicContact CG1-CD2 3.76Å; V145-F149 HydrophobicContact CG1-CE2 3.47Å; V145-F149 VanDerWaalsContact CG1-CE2 3.47Å; V145-F149 WeakPolarHBondContact O-CD2 3.46Å; V145-F149 PolarHBondContact O-N 3.38Å; V145-K164 HydrophobicContact CG1-CD 4.19Å; V145-K164 HydrophobicContact CG1-CG 4.33Å; V145-I204 HydrophobicContact CG2-CG2 3.92Å; V145-F208 HydrophobicContact CG1-CE2 4.06Å; V145-F208 HydrophobicContact CG1-CZ 4.08Å; V145-F208 HydrophobicContact CG2-CE2 4.09Å |
| 146 | N | 94.2 | Very high | 91.1 | Very high | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 176.8 | -70.4 | -41.6 | 0 | 0 | 0 | 113.1 | L142 D143 T144 F149 K150 K164 | L142-N146 PolarHBondContact O-N 3.41Å; L142-N146 PolarHBondContact O-ND2 2.98Å; D143-N146 WeakPolarHBondContact O-CB 3.25Å; D143-N146 PolarHBondContact O-N 3.17Å; T144-N146 VanDerWaalsContact C-N 3.27Å; T144-N146 PolarHBondContact O-N 3.08Å; N146-F149 WeakPolarHBondContact O-CB 3.2Å; N146-F149 PolarHBondContact O-N 3.44Å; N146-K150 WeakPolarHBondContact O-CG 3.49Å; N146-K150 PolarHBondContact O-N 2.99Å; N146-K150 VanDerWaalsContact O-N 3.1Å; N146-K164 WeakPolarHBondContact OD1-CE 3.43Å; N146-K164 PolarHBondContact OD1-NZ 3.09Å |
| 147 | N | 93.5 | Very high | 90.5 | Very high | 81 Ų | 81 | 68.8 Ų | 68.8 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 177.3 | -68.2 | -21.5 | 0 | 0 | 0 | 110.9 | D143 T144 V145 F149 K150 K151 | D143-N147 PolarHBondContact O-N 3.24Å; D143-N147 PolarHBondContact O-ND2 3.25Å; T144-N147 WeakPolarHBondContact O-CB 3.18Å; T144-N147 PolarHBondContact O-N 2.97Å; V145-N147 VanDerWaalsContact C-N 3.35Å; V145-N147 PolarHBondContact O-N 3.47Å; N147-F149 VanDerWaalsContact C-N 3.33Å; N147-F149 PolarHBondContact O-N 2.84Å; N147-K150 PolarHBondContact O-N 3.13Å; N147-K151 PolarHBondContact O-N 2.8Å; N147-K151 VanDerWaalsContact O-N 3.1Å |
| 148 | V | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58 | -45.9 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | E99 F100 T144 V145 K150 K151 Y152 Y154 F208 | E99-V148 HydrophobicContact CB-CG2 3.86Å; F100-V148 HydrophobicContact CE1-CG1 3.82Å; F100-V148 HydrophobicContact CZ-CG1 4.11Å; T144-V148 WeakPolarHBondContact O-CG2 3.24Å; T144-V148 PolarHBondContact O-N 3.06Å; V145-V148 PolarHBondContact O-N 3.4Å; V148-K150 VanDerWaalsContact C-N 3.28Å; V148-K150 PolarHBondContact O-N 2.97Å; V148-K151 PolarHBondContact O-N 3.07Å; V148-Y152 HydrophobicContact CG1-CD2 3.91Å; V148-Y152 WeakPolarHBondContact O-CD2 3.34Å; V148-Y152 PolarHBondContact O-N 3.35Å; V148-Y154 HydrophobicContact CG1-CE2 4.21Å; V148-Y154 WeakPolarHBondContact CG1-OH 3.37Å; V148-F208 HydrophobicContact CB-CE1 4.04Å; V148-F208 HydrophobicContact CB-CZ 4.34Å; V148-F208 HydrophobicContact CG1-CD1 3.91Å; V148-F208 HydrophobicContact CG1-CE1 3.36Å; V148-F208 HydrophobicContact CG1-CZ 4.13Å |
| 149 | F | 89.2 | Confident | 89.5 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -30.5 | 177 | -84.6 | -58.1 | 0 | 0 | 0 | 115.7 | V145 N146 N147 R157 L160 E161 K164 F208 | V145-F149 HydrophobicContact CG1-CD2 3.76Å; V145-F149 HydrophobicContact CG1-CE2 3.47Å; V145-F149 VanDerWaalsContact CG1-CE2 3.47Å; V145-F149 WeakPolarHBondContact O-CD2 3.46Å; V145-F149 PolarHBondContact O-N 3.38Å; N146-F149 WeakPolarHBondContact O-CB 3.2Å; N146-F149 PolarHBondContact O-N 3.44Å; N147-F149 VanDerWaalsContact C-N 3.33Å; N147-F149 PolarHBondContact O-N 2.84Å; F149-R157 HydrophobicContact CD1-CG 4.34Å; F149-R157 HydrophobicContact CE1-CG 4.11Å; F149-R157 PolarHBondContact O-NH1 3Å; F149-L160 HydrophobicContact CE1-CB 3.34Å; F149-L160 HydrophobicContact CE1-CD1 3.86Å; F149-L160 HydrophobicContact CE1-CG 4.24Å; F149-L160 HydrophobicContact CE2-CB 4.49Å; F149-L160 HydrophobicContact CZ-CB 3.28Å; F149-L160 HydrophobicContact CZ-CD1 4.49Å; F149-L160 HydrophobicContact CZ-CG 4.45Å; F149-E161 HydrophobicContact CE1-CG 4.13Å; F149-E161 HydrophobicContact CZ-CG 4.01Å; F149-K164 HydrophobicContact CE2-CD 4.08Å; F149-F208 HydrophobicContact CE2-CZ 4.38Å; F149-F208 HydrophobicContact CZ-CZ 4.47Å |
| 150 | K | 88.7 | Confident | 89.1 | Confident | 170 Ų | 170 | 73.8 Ų | 73.8 | 74% | 0.739 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -77.9 | -36.6 | 178.2 | -73.3 | 170.4 | -175.8 | 173.5 | 0 | 111.1 | N146 N147 V148 | N146-K150 WeakPolarHBondContact O-CG 3.49Å; N146-K150 PolarHBondContact O-N 2.99Å; N146-K150 VanDerWaalsContact O-N 3.1Å; N147-K150 PolarHBondContact O-N 3.13Å; V148-K150 VanDerWaalsContact C-N 3.28Å; V148-K150 PolarHBondContact O-N 2.97Å |
| 151 | K | 87.9 | Confident | 88.8 | Confident | 118 Ų | 118 | 74 Ų | 74 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -82.9 | -35.9 | -173.9 | -168.2 | 175.4 | -178.6 | -172 | 0 | 113.1 | E99 N147 V148 | E99-K151 VanDerWaalsContact CD-CD 3.45Å; E99-K151 HydrophobicContact CG-CD 4.02Å; E99-K151 WeakPolarHBondContact OE1-CD 3.24Å; E99-K151 IonicContact OE1-NZ 2.59Å; E99-K151 PolarHBondContact OE1-NZ 2.91Å; E99-K151 IonicContact OE2-NZ 2.82Å; E99-K151 PolarHBondContact OE2-NZ 3.37Å; N147-K151 PolarHBondContact O-N 2.8Å; N147-K151 VanDerWaalsContact O-N 3.1Å; V148-K151 PolarHBondContact O-N 3.07Å |
| 152 | Y | 86.1 | Confident | 88.5 | Confident | 45 Ų | 45 | 77.5 Ų | 77.5 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | trans | -115.6 | 132.7 | -174.3 | -58.6 | -81.8 | 0 | 0 | 0 | 111.3 | E97 E99 F100 V148 Y154 | E97-Y152 WeakPolarHBondContact CB-OH 3.34Å; E99-Y152 HydrophobicContact CB-CE2 4.21Å; E99-Y152 HydrophobicContact CG-CE2 4.38Å; E99-Y152 PolarHBondContact OE2-OH 3.18Å; F100-Y152 HydrophobicContact CE2-CD2 4.28Å; F100-Y152 HydrophobicContact CE2-CE1 4.29Å; F100-Y152 AromaticContact CE2-CE2 3.79Å; F100-Y152 HydrophobicContact CE2-CE2 3.79Å; F100-Y152 AromaticContact CE2-CZ 3.81Å; F100-Y152 HydrophobicContact CZ-CD2 4.02Å; F100-Y152 AromaticContact CZ-CE2 3.99Å; F100-Y152 HydrophobicContact CZ-CE2 3.99Å; F100-Y152 HydrophobicContact CZ-CG 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 3.91Å; V148-Y152 WeakPolarHBondContact O-CD2 3.34Å; V148-Y152 PolarHBondContact O-N 3.35Å; Y152-Y154 VanDerWaalsContact CB-CE2 3.49Å; Y152-Y154 VanDerWaalsContact CB-OH 3.31Å; Y152-Y154 WeakPolarHBondContact CB-OH 3.45Å; Y152-Y154 WeakPolarHBondContact O-CD2 3.44Å; Y152-Y154 WeakPolarHBondContact O-CE2 3.31Å | ||
| 153 | Q | 78.8 | Confident | 88.3 | Confident | 196 Ų | 196 | 77.1 Ų | 77.1 | 92% | 0.916 | 36% | 0.357 | S | S | * | . | trans | -93.8 | 114 | 173.9 | -169.9 | 175.4 | -0.1 | 0 | 0 | 109.3 | ||||
| 154 | Y | 75 | Confident | 88.1 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | trans | -104.1 | 137.2 | -178.7 | -58.7 | -79.7 | 0 | 0 | 0 | 111.5 | F100 V148 Y152 N156 R157 L160 F208 V211 A212 | F100-Y154 WeakPolarHBondContact CE1-OH 3.47Å; F100-Y154 WeakPolarHBondContact CZ-OH 3.37Å; V148-Y154 HydrophobicContact CG1-CE2 4.21Å; V148-Y154 WeakPolarHBondContact CG1-OH 3.37Å; Y152-Y154 VanDerWaalsContact CB-CE2 3.49Å; Y152-Y154 VanDerWaalsContact CB-OH 3.31Å; Y152-Y154 WeakPolarHBondContact CB-OH 3.45Å; Y152-Y154 WeakPolarHBondContact O-CD2 3.44Å; Y152-Y154 WeakPolarHBondContact O-CE2 3.31Å; Y154-N156 VanDerWaalsContact C-N 3.28Å; Y154-N156 PolarHBondContact O-N 3.16Å; Y154-R157 PolarHBondContact O-N 3.2Å; Y154-L160 HydrophobicContact CD1-CD1 4.37Å; Y154-L160 HydrophobicContact CD2-CD1 3.62Å; Y154-L160 HydrophobicContact CE2-CD1 4.03Å; Y154-L160 HydrophobicContact CG-CD1 3.8Å; Y154-F208 HydrophobicContact CE2-CE1 4.29Å; Y154-V211 HydrophobicContact CD1-CG1 3.98Å; Y154-V211 HydrophobicContact CG-CG1 4.09Å; Y154-A212 HydrophobicContact CE1-CB 4.44Å | ||
| 155 | Q | 71 | Confident | 88.1 | Confident | 199 Ų | 199 | 83.1 Ų | 83.1 | 93% | 0.93 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -39.7 | 171.7 | -67 | -175.3 | -11.4 | 0 | 0 | 111.2 | R157 | Q155-R157 PolarHBondContact O-N 3.11Š|
| 156 | N | 79.3 | Confident | 88 | Confident | 99 Ų | 99 | 83.8 Ų | 83.8 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 36.4 | 178.8 | -69.5 | -30.4 | 0 | 0 | 0 | 113.7 | Y154 R158 A159 V211 | Y154-N156 VanDerWaalsContact C-N 3.28Å; Y154-N156 PolarHBondContact O-N 3.16Å; N156-R158 PolarHBondContact O-N 3.16Å; N156-A159 PolarHBondContact O-N 2.62Å; N156-V211 HydrophobicContact CB-CB 4.36Å; N156-V211 HydrophobicContact CB-CG1 3.67Å; N156-V211 HydrophobicContact CB-CG2 3.84Å |
| 157 | R | 85.1 | Confident | 88.2 | Confident | 101 Ų | 101 | 81.8 Ų | 81.8 | 38% | 0.381 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -51.1 | -32.9 | 177.6 | -177 | 175 | 178 | 126.7 | 1.1 | 113.8 | F149 Y154 Q155 A159 L160 E161 | F149-R157 HydrophobicContact CD1-CG 4.34Å; F149-R157 HydrophobicContact CE1-CG 4.11Å; F149-R157 PolarHBondContact O-NH1 3Å; Y154-R157 PolarHBondContact O-N 3.2Å; Q155-R157 PolarHBondContact O-N 3.11Å; R157-A159 VanDerWaalsContact C-N 3.34Å; R157-A159 PolarHBondContact O-N 3.43Å; R157-L160 PolarHBondContact O-N 2.96Å; R157-E161 HydrophobicContact CG-CG 4.22Å; R157-E161 IonicContact CZ-OE1 3.72Å; R157-E161 IonicContact NE-OE1 2.86Å; R157-E161 PolarHBondContact NE-OE1 3.17Å; R157-E161 IonicContact NH2-OE1 3.67Å; R157-E161 WeakPolarHBondContact O-CG 3.31Å; R157-E161 PolarHBondContact O-N 3.49Å |
| 158 | R | 88.7 | Confident | 88.4 | Confident | 220 Ų | 220 | 79.9 Ų | 79.9 | 83% | 0.83 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.8 | -39.6 | 177.6 | -67.8 | -177.5 | -179.4 | 177 | 0.8 | 113.2 | N156 E161 H162 | N156-R158 PolarHBondContact O-N 3.16Å; R158-E161 PolarHBondContact O-N 3.25Å; R158-H162 WeakPolarHBondContact O-CB 3.22Å; R158-H162 PolarHBondContact O-N 3.4Å |
| 159 | A | 87.7 | Confident | 88.6 | Confident | 44 Ų | 44 | 84.7 Ų | 84.7 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N156 R157 H162 Q163 T207 V211 | N156-A159 PolarHBondContact O-N 2.62Å; R157-A159 VanDerWaalsContact C-N 3.34Å; R157-A159 PolarHBondContact O-N 3.43Å; A159-H162 PolarHBondContact O-N 2.83Å; A159-Q163 PolarHBondContact O-N 3.5Å; A159-T207 HydrophobicContact CB-CG2 4.25Å; A159-V211 HydrophobicContact CB-CG2 4.42Å |
| 160 | L | 89.2 | Confident | 88.9 | Confident | 3 Ų | 3 | 85.8 Ų | 85.8 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.8 | -65.6 | 168.5 | 0 | 0 | 0 | 111.8 | F149 Y154 R157 H162 Q163 K164 T207 F208 V211 | F149-L160 HydrophobicContact CE1-CB 3.34Å; F149-L160 HydrophobicContact CE1-CD1 3.86Å; F149-L160 HydrophobicContact CE1-CG 4.24Å; F149-L160 HydrophobicContact CE2-CB 4.49Å; F149-L160 HydrophobicContact CZ-CB 3.28Å; F149-L160 HydrophobicContact CZ-CD1 4.49Å; F149-L160 HydrophobicContact CZ-CG 4.45Å; Y154-L160 HydrophobicContact CD1-CD1 4.37Å; Y154-L160 HydrophobicContact CD2-CD1 3.62Å; Y154-L160 HydrophobicContact CE2-CD1 4.03Å; Y154-L160 HydrophobicContact CG-CD1 3.8Å; R157-L160 PolarHBondContact O-N 2.96Å; L160-H162 VanDerWaalsContact C-N 3.3Å; L160-H162 PolarHBondContact O-N 2.8Å; L160-Q163 PolarHBondContact O-N 3.49Å; L160-K164 WeakPolarHBondContact O-CB 3.15Å; L160-K164 PolarHBondContact O-N 2.77Å; L160-T207 HydrophobicContact CD2-CG2 3.56Å; L160-T207 HydrophobicContact CG-CG2 4.13Å; L160-F208 HydrophobicContact CD1-CD1 4.23Å; L160-F208 HydrophobicContact CD1-CE1 3.9Å; L160-F208 HydrophobicContact CD1-CZ 4.41Å; L160-F208 HydrophobicContact CD2-CB 4.37Å; L160-F208 HydrophobicContact CD2-CD1 3.67Å; L160-F208 HydrophobicContact CD2-CD2 3.73Å; L160-F208 HydrophobicContact CD2-CE1 3.76Å; L160-F208 HydrophobicContact CD2-CE2 3.83Å; L160-F208 HydrophobicContact CD2-CG 3.66Å; L160-F208 HydrophobicContact CD2-CZ 3.85Å; L160-F208 HydrophobicContact CG-CE1 4.42Å; L160-V211 HydrophobicContact CD1-CB 4.32Å; L160-V211 HydrophobicContact CD1-CG1 3.71Å; L160-V211 HydrophobicContact CD2-CB 4.45Å; L160-V211 HydrophobicContact CG-CB 4.28Å; L160-V211 HydrophobicContact CG-CG1 4.04Å; L160-V211 HydrophobicContact CG-CG2 4.42Å |
| 161 | E | 92.4 | Very high | 89.4 | Confident | 92 Ų | 92 | 78.2 Ų | 78.2 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 178.6 | -76.5 | 178.2 | 176.3 | 0 | 0 | 111.7 | F149 R157 R158 K165 | F149-E161 HydrophobicContact CE1-CG 4.13Å; F149-E161 HydrophobicContact CZ-CG 4.01Å; R157-E161 HydrophobicContact CG-CG 4.22Å; R157-E161 IonicContact CZ-OE1 3.72Å; R157-E161 IonicContact NE-OE1 2.86Å; R157-E161 PolarHBondContact NE-OE1 3.17Å; R157-E161 IonicContact NH2-OE1 3.67Å; R157-E161 WeakPolarHBondContact O-CG 3.31Å; R157-E161 PolarHBondContact O-N 3.49Å; R158-E161 PolarHBondContact O-N 3.25Å; E161-K165 PolarHBondContact O-N 3.39Å; E161-K165 VanDerWaalsContact O-N 3.07Å |
| 162 | H | 92.3 | Very high | 89.8 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.5 | -49.1 | 173.1 | 178 | 46.1 | 0 | 0 | 0 | 111.6 | R158 A159 L160 K164 K165 E166 | R158-H162 WeakPolarHBondContact O-CB 3.22Å; R158-H162 PolarHBondContact O-N 3.4Å; A159-H162 PolarHBondContact O-N 2.83Å; L160-H162 VanDerWaalsContact C-N 3.3Å; L160-H162 PolarHBondContact O-N 2.8Å; H162-K164 VanDerWaalsContact C-N 3.3Å; H162-K164 PolarHBondContact O-N 3.35Å; H162-K165 WeakPolarHBondContact O-CA 3.17Å; H162-K165 WeakPolarHBondContact O-CB 3.38Å; H162-K165 PolarHBondContact O-N 3.01Å; H162-E166 PolarHBondContact O-N 3.19Å |
| 163 | Q | 92.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 79 Ų | 79 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | -179.8 | -172.9 | 53.5 | 38.1 | 0 | 0 | 111.9 | A159 L160 K165 E166 F167 L203 I204 T207 | A159-Q163 PolarHBondContact O-N 3.5Å; L160-Q163 PolarHBondContact O-N 3.49Å; Q163-K165 VanDerWaalsContact C-N 3.32Å; Q163-K165 PolarHBondContact O-N 3.02Å; Q163-E166 PolarHBondContact O-N 3.09Å; Q163-F167 PolarHBondContact O-N 3.45Å; Q163-L203 HydrophobicContact CG-CB 4.41Å; Q163-I204 HydrophobicContact CG-CB 4.48Å; Q163-I204 HydrophobicContact CG-CG1 3.82Å; Q163-T207 HydrophobicContact CB-CG2 4.44Å |
| 164 | K | 94.3 | Very high | 91.3 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 171 | -178 | -171.1 | 168.4 | -165.6 | 0 | 111.7 | L142 V145 N146 F149 L160 H162 F167 V168 | L142-K164 HydrophobicContact CD2-CG 3.93Å; V145-K164 HydrophobicContact CG1-CD 4.19Å; V145-K164 HydrophobicContact CG1-CG 4.33Å; N146-K164 WeakPolarHBondContact OD1-CE 3.43Å; N146-K164 PolarHBondContact OD1-NZ 3.09Å; F149-K164 HydrophobicContact CE2-CD 4.08Å; L160-K164 WeakPolarHBondContact O-CB 3.15Å; L160-K164 PolarHBondContact O-N 2.77Å; H162-K164 VanDerWaalsContact C-N 3.3Å; H162-K164 PolarHBondContact O-N 3.35Å; K164-F167 PolarHBondContact O-N 2.85Å; K164-V168 WeakPolarHBondContact O-CG2 3.33Å; K164-V168 PolarHBondContact O-N 3.41Å |
| 165 | K | 95.8 | Very high | 92.3 | Very high | 148 Ų | 148 | 71.5 Ų | 71.5 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 178.8 | -174.7 | -177.3 | 175.5 | -173.6 | 0 | 111.6 | E161 H162 Q163 V168 K169 | E161-K165 PolarHBondContact O-N 3.39Å; E161-K165 VanDerWaalsContact O-N 3.07Å; H162-K165 WeakPolarHBondContact O-CA 3.17Å; H162-K165 WeakPolarHBondContact O-CB 3.38Å; H162-K165 PolarHBondContact O-N 3.01Å; Q163-K165 VanDerWaalsContact C-N 3.32Å; Q163-K165 PolarHBondContact O-N 3.02Å; K165-V168 PolarHBondContact O-N 3.13Å; K165-K169 PolarHBondContact O-N 3.37Å |
| 166 | E | 94.7 | Very high | 93.6 | Very high | 17 Ų | 17 | 65.8 Ų | 65.8 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 175.7 | -73.8 | -52.5 | 114.4 | 0 | 0 | 111.2 | H162 Q163 V168 K169 Y170 | H162-E166 PolarHBondContact O-N 3.19Å; Q163-E166 PolarHBondContact O-N 3.09Å; E166-V168 VanDerWaalsContact C-N 3.28Å; E166-V168 PolarHBondContact O-N 2.97Å; E166-K169 WeakPolarHBondContact O-CA 3.22Å; E166-K169 WeakPolarHBondContact O-CB 3.43Å; E166-K169 PolarHBondContact O-N 2.88Å; E166-K169 IonicContact OE1-NZ 3.52Å; E166-K169 WeakPolarHBondContact OE2-CD 2.85Å; E166-K169 IonicContact OE2-NZ 3.2Å; E166-K169 PolarHBondContact OE2-NZ 2.94Å; E166-Y170 WeakPolarHBondContact O-CD2 3.38Å; E166-Y170 PolarHBondContact O-N 3.29Å |
| 167 | F | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.3 | -41.1 | 174.4 | 178.4 | -94.4 | 0 | 0 | 0 | 113 | L110 I138 L141 L142 Q163 K164 K169 Y170 S171 L197 Q200 T201 I204 | L110-F167 HydrophobicContact CD2-CE2 3.93Å; L110-F167 HydrophobicContact CD2-CZ 3.69Å; I138-F167 HydrophobicContact CG1-CZ 4.35Å; I138-F167 HydrophobicContact CG2-CE1 3.95Å; I138-F167 HydrophobicContact CG2-CZ 4.27Å; L141-F167 HydrophobicContact CD2-CE1 4.3Å; L141-F167 HydrophobicContact CD2-CE2 3.97Å; L141-F167 HydrophobicContact CD2-CZ 3.69Å; L142-F167 HydrophobicContact CD1-CD1 4.47Å; L142-F167 HydrophobicContact CD1-CE1 4.23Å; L142-F167 HydrophobicContact CD2-CD1 3.83Å; L142-F167 HydrophobicContact CD2-CE1 4.12Å; L142-F167 HydrophobicContact CG-CD1 4.12Å; L142-F167 HydrophobicContact CG-CE1 3.9Å; Q163-F167 PolarHBondContact O-N 3.45Å; K164-F167 PolarHBondContact O-N 2.85Å; F167-K169 PolarHBondContact O-N 3.05Å; F167-Y170 PolarHBondContact O-N 2.68Å; F167-S171 WeakPolarHBondContact O-CB 3.44Å; F167-S171 PolarHBondContact O-N 3.19Å; F167-S171 PolarHBondContact O-OG 3.15Å; F167-L197 HydrophobicContact CD2-CD1 4.01Å; F167-L197 HydrophobicContact CE2-CD1 3.57Å; F167-L197 HydrophobicContact CE2-CG 4.44Å; F167-L197 HydrophobicContact CZ-CD1 4.09Å; F167-Q200 HydrophobicContact CB-CB 4.47Å; F167-Q200 HydrophobicContact CD2-CB 3.91Å; F167-T201 WeakPolarHBondContact CE2-OG1 3.16Å; F167-I204 HydrophobicContact CB-CD1 3.54Å; F167-I204 HydrophobicContact CB-CG1 4.28Å; F167-I204 HydrophobicContact CD1-CD1 3.97Å; F167-I204 HydrophobicContact CD2-CD1 3.62Å; F167-I204 HydrophobicContact CE2-CD1 4.33Å; F167-I204 HydrophobicContact CG-CD1 3.42Å; F167-I204 VanDerWaalsContact CG-CD1 3.42Å |
| 168 | V | 97.9 | Very high | 95.1 | Very high | 42 Ų | 42 | 58 Ų | 58 | 26% | 0.255 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 174.3 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | L142 K164 K165 E166 S171 K172 | L142-V168 HydrophobicContact CD1-CG2 4.01Å; L142-V168 HydrophobicContact CD2-CG2 3.92Å; K164-V168 WeakPolarHBondContact O-CG2 3.33Å; K164-V168 PolarHBondContact O-N 3.41Å; K165-V168 PolarHBondContact O-N 3.13Å; E166-V168 VanDerWaalsContact C-N 3.28Å; E166-V168 PolarHBondContact O-N 2.97Å; V168-S171 VanDerWaalsContact CA-OG 3.28Å; V168-S171 WeakPolarHBondContact CA-OG 3.04Å; V168-S171 PolarHBondContact O-OG 3.39Å; V168-K172 HydrophobicContact CG1-CD 4.41Å; V168-K172 VanDerWaalsContact O-CG 3.32Å; V168-K172 WeakPolarHBondContact O-CG 3.42Å; V168-K172 PolarHBondContact O-N 3.21Å; V168-K172 VanDerWaalsContact O-N 3.17Å |
| 169 | K | 97.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 176 | 172.4 | -162.7 | 171.5 | -166.5 | 0 | 111 | K165 E166 F167 K172 S173 | K165-K169 PolarHBondContact O-N 3.37Å; E166-K169 WeakPolarHBondContact O-CA 3.22Å; E166-K169 WeakPolarHBondContact O-CB 3.43Å; E166-K169 PolarHBondContact O-N 2.88Å; E166-K169 IonicContact OE1-NZ 3.52Å; E166-K169 WeakPolarHBondContact OE2-CD 2.85Å; E166-K169 IonicContact OE2-NZ 3.2Å; E166-K169 PolarHBondContact OE2-NZ 2.94Å; F167-K169 PolarHBondContact O-N 3.05Å; K169-K172 PolarHBondContact O-N 3.21Å; K169-S173 PolarHBondContact O-N 3.25Å |
| 170 | Y | 96.1 | Very high | 96 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.1 | -34.6 | 179.7 | -82.4 | -88.9 | 0 | 0 | 0 | 113.1 | E13 E166 F167 S173 F174 R196 Q200 | E13-Y170 PolarHBondContact OE2-OH 3.06Å; E166-Y170 WeakPolarHBondContact O-CD2 3.38Å; E166-Y170 PolarHBondContact O-N 3.29Å; F167-Y170 PolarHBondContact O-N 2.68Å; Y170-S173 WeakPolarHBondContact O-CB 3.37Å; Y170-S173 PolarHBondContact O-N 3.08Å; Y170-F174 WeakPolarHBondContact O-CB 3.49Å; Y170-F174 PolarHBondContact O-N 3.18Å; Y170-R196 HydrophobicContact CD1-CB 3.83Å; Y170-R196 HydrophobicContact CD1-CG 4.4Å; Y170-R196 HydrophobicContact CE1-CB 4.09Å; Y170-R196 HydrophobicContact CE1-CG 4.19Å; Y170-Q200 HydrophobicContact CD1-CG 4.31Å; Y170-Q200 HydrophobicContact CD2-CG 3.62Å; Y170-Q200 HydrophobicContact CE2-CG 4.22Å; Y170-Q200 HydrophobicContact CG-CG 3.67Å |
| 171 | S | 97.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -35.5 | 172.5 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | F167 V168 S175 | F167-S171 WeakPolarHBondContact O-CB 3.44Å; F167-S171 PolarHBondContact O-N 3.19Å; F167-S171 PolarHBondContact O-OG 3.15Å; V168-S171 VanDerWaalsContact CA-OG 3.28Å; V168-S171 WeakPolarHBondContact CA-OG 3.04Å; V168-S171 PolarHBondContact O-OG 3.39Å; S171-S175 PolarHBondContact O-N 2.94Å; S171-S175 VanDerWaalsContact O-N 3.1Å; S171-S175 PolarHBondContact O-OG 2.84Å |
| 172 | K | 97.8 | Very high | 96.6 | Very high | 132 Ų | 132 | 56.3 Ų | 56.3 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66 | -46.6 | 170 | -72.8 | 174.9 | -179.3 | -177.9 | 0 | 111.8 | V168 K169 F174 S175 D176 | V168-K172 HydrophobicContact CG1-CD 4.41Å; V168-K172 VanDerWaalsContact O-CG 3.32Å; V168-K172 WeakPolarHBondContact O-CG 3.42Å; V168-K172 PolarHBondContact O-N 3.21Å; V168-K172 VanDerWaalsContact O-N 3.17Å; K169-K172 PolarHBondContact O-N 3.21Å; K172-F174 VanDerWaalsContact C-N 3.27Å; K172-F174 PolarHBondContact O-N 3.08Å; K172-S175 WeakPolarHBondContact O-CA 3.45Å; K172-S175 VanDerWaalsContact O-CB 3.31Å; K172-S175 WeakPolarHBondContact O-CB 3.44Å; K172-S175 PolarHBondContact O-N 2.85Å; K172-D176 PolarHBondContact O-N 2.98Å |
| 173 | S | 96.6 | Very high | 96.8 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.9 | -39.8 | 175.9 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | K169 Y170 D176 T177 | K169-S173 PolarHBondContact O-N 3.25Å; Y170-S173 WeakPolarHBondContact O-CB 3.37Å; Y170-S173 PolarHBondContact O-N 3.08Å; S173-D176 PolarHBondContact O-N 3.43Å; S173-T177 WeakPolarHBondContact O-CB 3.42Å; S173-T177 PolarHBondContact O-N 3.26Å; S173-T177 PolarHBondContact O-OG1 3.07Å |
| 174 | F | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 171.7 | 176.9 | -108.3 | 0 | 0 | 0 | 112 | L114 I117 I134 Y170 K172 D176 T177 L178 V190 S193 A194 L197 | L114-F174 HydrophobicContact CD2-CE1 4.39Å; L114-F174 HydrophobicContact CD2-CZ 4.15Å; I117-F174 HydrophobicContact CD1-CE2 4.06Å; I117-F174 HydrophobicContact CD1-CZ 3.76Å; I134-F174 HydrophobicContact CD1-CE1 4.13Å; I134-F174 HydrophobicContact CD1-CZ 4.07Å; I134-F174 HydrophobicContact CG2-CD1 4.48Å; I134-F174 HydrophobicContact CG2-CE1 3.91Å; Y170-F174 WeakPolarHBondContact O-CB 3.49Å; Y170-F174 PolarHBondContact O-N 3.18Å; K172-F174 VanDerWaalsContact C-N 3.27Å; K172-F174 PolarHBondContact O-N 3.08Å; F174-D176 VanDerWaalsContact C-N 3.32Å; F174-D176 PolarHBondContact O-N 2.92Å; F174-T177 WeakPolarHBondContact O-CB 3.19Å; F174-T177 PolarHBondContact O-N 3.08Å; F174-T177 VanDerWaalsContact O-N 3.16Å; F174-L178 HydrophobicContact CD1-CD1 4.08Å; F174-L178 HydrophobicContact CE1-CD1 3.55Å; F174-L178 HydrophobicContact CE1-CG 4.14Å; F174-L178 HydrophobicContact CE2-CD2 4.38Å; F174-L178 HydrophobicContact CE2-CG 4.37Å; F174-L178 HydrophobicContact CZ-CD1 3.86Å; F174-L178 HydrophobicContact CZ-CD2 4.05Å; F174-L178 HydrophobicContact CZ-CG 4.04Å; F174-L178 WeakPolarHBondContact O-CG 3.43Å; F174-L178 PolarHBondContact O-N 3.4Å; F174-V190 HydrophobicContact CE2-CG1 4.06Å; F174-S193 WeakPolarHBondContact CA-OG 3.3Å; F174-A194 HydrophobicContact CE2-CB 3.98Å; F174-L197 HydrophobicContact CB-CD2 4.38Å; F174-L197 HydrophobicContact CD1-CD2 4.16Å; F174-L197 HydrophobicContact CG-CD2 4.25Å |
| 175 | S | 97.9 | Very high | 97 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | S171 K172 L178 K179 | S171-S175 PolarHBondContact O-N 2.94Å; S171-S175 VanDerWaalsContact O-N 3.1Å; S171-S175 PolarHBondContact O-OG 2.84Å; K172-S175 WeakPolarHBondContact O-CA 3.45Å; K172-S175 VanDerWaalsContact O-CB 3.31Å; K172-S175 WeakPolarHBondContact O-CB 3.44Å; K172-S175 PolarHBondContact O-N 2.85Å; S175-L178 PolarHBondContact O-N 3.25Å; S175-K179 WeakPolarHBondContact O-CG 3.5Å; S175-K179 PolarHBondContact O-N 3.49Å; S175-K179 VanDerWaalsContact O-N 3.11Å |
| 176 | D | 98.2 | Very high | 96.9 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.8 | -32.2 | 176.4 | -68.2 | -29.4 | 0 | 0 | 0 | 112.4 | K172 S173 F174 K179 T180 | K172-D176 PolarHBondContact O-N 2.98Å; S173-D176 PolarHBondContact O-N 3.43Å; F174-D176 VanDerWaalsContact C-N 3.32Å; F174-D176 PolarHBondContact O-N 2.92Å; D176-K179 PolarHBondContact O-N 2.89Å; D176-K179 IonicContact OD1-NZ 3.75Å; D176-K179 PolarHBondContact OD1-NZ 3.49Å; D176-T180 PolarHBondContact O-N 2.83Å; D176-T180 PolarHBondContact O-OG1 3.32Å |
| 177 | T | 97.6 | Very high | 97 | Very high | 25 Ų | 25 | 62.1 Ų | 62.1 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 170.9 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | S173 F174 K179 T180 Y181 N189 V190 S193 | S173-T177 WeakPolarHBondContact O-CB 3.42Å; S173-T177 PolarHBondContact O-N 3.26Å; S173-T177 PolarHBondContact O-OG1 3.07Å; F174-T177 WeakPolarHBondContact O-CB 3.19Å; F174-T177 PolarHBondContact O-N 3.08Å; F174-T177 VanDerWaalsContact O-N 3.16Å; T177-K179 PolarHBondContact O-N 3.46Å; T177-T180 WeakPolarHBondContact O-CB 3.2Å; T177-T180 PolarHBondContact O-N 3Å; T177-T180 VanDerWaalsContact O-N 3.14Å; T177-Y181 WeakPolarHBondContact O-CB 3.33Å; T177-Y181 PolarHBondContact O-N 3.26Å; T177-N189 HydrophobicContact CG2-CB 4.02Å; T177-N189 WeakPolarHBondContact CG2-O 3.49Å; T177-V190 HydrophobicContact CG2-CG2 4.36Å; T177-S193 PolarHBondContact OG1-OG 3.45Å; T177-S193 VanDerWaalsContact OG1-OG 3.09Å |
| 178 | L | 98 | Very high | 96.9 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 174.7 | -69.7 | 174.6 | 0 | 0 | 0 | 111.7 | F127 I131 F174 S175 T180 Y181 F182 V190 | F127-L178 HydrophobicContact CE1-CD2 4.2Å; F127-L178 HydrophobicContact CE2-CD2 4.32Å; F127-L178 HydrophobicContact CZ-CD2 3.49Å; F127-L178 VanDerWaalsContact CZ-CD2 3.49Å; I131-L178 HydrophobicContact CD1-CD1 4.09Å; I131-L178 HydrophobicContact CD1-CD2 4.13Å; I131-L178 HydrophobicContact CG1-CD1 3.9Å; I131-L178 HydrophobicContact CG1-CD2 4.33Å; I131-L178 HydrophobicContact CG2-CD1 4.01Å; F174-L178 HydrophobicContact CD1-CD1 4.08Å; F174-L178 HydrophobicContact CE1-CD1 3.55Å; F174-L178 HydrophobicContact CE1-CG 4.14Å; F174-L178 HydrophobicContact CE2-CD2 4.38Å; F174-L178 HydrophobicContact CE2-CG 4.37Å; F174-L178 HydrophobicContact CZ-CD1 3.86Å; F174-L178 HydrophobicContact CZ-CD2 4.05Å; F174-L178 HydrophobicContact CZ-CG 4.04Å; F174-L178 WeakPolarHBondContact O-CG 3.43Å; F174-L178 PolarHBondContact O-N 3.4Å; S175-L178 PolarHBondContact O-N 3.25Å; L178-T180 VanDerWaalsContact C-N 3.25Å; L178-T180 PolarHBondContact O-N 3.26Å; L178-Y181 WeakPolarHBondContact O-CB 3.47Å; L178-Y181 PolarHBondContact O-N 3.05Å; L178-F182 WeakPolarHBondContact O-CD2 3.43Å; L178-F182 PolarHBondContact O-N 3.42Å; L178-V190 HydrophobicContact CD2-CG1 3.82Å; L178-V190 HydrophobicContact CD2-CG2 4.4Å |
| 179 | K | 97.1 | Very high | 96.7 | Very high | 126 Ų | 126 | 66.1 Ų | 66.1 | 55% | 0.548 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 175.3 | -68.4 | 172.1 | -163.9 | 159.4 | 0 | 112.4 | S175 D176 T177 | S175-K179 WeakPolarHBondContact O-CG 3.5Å; S175-K179 PolarHBondContact O-N 3.49Å; S175-K179 VanDerWaalsContact O-N 3.11Å; D176-K179 PolarHBondContact O-N 2.89Å; D176-K179 IonicContact OD1-NZ 3.75Å; D176-K179 PolarHBondContact OD1-NZ 3.49Å; T177-K179 PolarHBondContact O-N 3.46Å |
| 180 | T | 97.7 | Very high | 96.7 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.9 | -42.7 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | D176 T177 L178 F182 K183 D184 | D176-T180 PolarHBondContact O-N 2.83Å; D176-T180 PolarHBondContact O-OG1 3.32Å; T177-T180 WeakPolarHBondContact O-CB 3.2Å; T177-T180 PolarHBondContact O-N 3Å; T177-T180 VanDerWaalsContact O-N 3.14Å; L178-T180 VanDerWaalsContact C-N 3.25Å; L178-T180 PolarHBondContact O-N 3.26Å; T180-F182 VanDerWaalsContact C-N 3.33Å; T180-F182 PolarHBondContact O-N 2.88Å; T180-K183 WeakPolarHBondContact O-CA 3.2Å; T180-K183 WeakPolarHBondContact O-CB 3.21Å; T180-K183 PolarHBondContact O-N 3.15Å; T180-D184 PolarHBondContact O-N 2.97Å |
| 181 | Y | 97.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 13% | 0.129 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.3 | -43.3 | 174.5 | 168.2 | -101.2 | 0 | 0 | 0 | 112.6 | I121 F127 T177 L178 K183 D184 G185 A187 V190 | I121-Y181 HydrophobicContact CD1-CD2 4.48Å; I121-Y181 HydrophobicContact CD1-CE1 4.31Å; I121-Y181 HydrophobicContact CD1-CE2 3.97Å; I121-Y181 HydrophobicContact CG1-CE1 4.01Å; I121-Y181 HydrophobicContact CG1-CE2 4.17Å; I121-Y181 WeakPolarHBondContact CG1-OH 3.47Å; I121-Y181 PolarHBondContact O-OH 3.39Å; F127-Y181 HydrophobicContact CD1-CE1 4.19Å; F127-Y181 AromaticContact CE1-CD1 3.82Å; F127-Y181 HydrophobicContact CE1-CD1 3.82Å; F127-Y181 AromaticContact CE1-CE1 3.55Å; F127-Y181 HydrophobicContact CE1-CE1 3.55Å; F127-Y181 HydrophobicContact CZ-CD1 4.48Å; F127-Y181 HydrophobicContact CZ-CE1 4.4Å; T177-Y181 WeakPolarHBondContact O-CB 3.33Å; T177-Y181 PolarHBondContact O-N 3.26Å; L178-Y181 WeakPolarHBondContact O-CB 3.47Å; L178-Y181 PolarHBondContact O-N 3.05Å; Y181-K183 PolarHBondContact O-N 2.93Å; Y181-D184 WeakPolarHBondContact CA-OD1 3.48Å; Y181-D184 PolarHBondContact O-N 3.1Å; Y181-G185 WeakPolarHBondContact CE2-O 3.14Å; Y181-G185 WeakPolarHBondContact O-CA 3.44Å; Y181-G185 PolarHBondContact O-N 3.28Å; Y181-A187 HydrophobicContact CE2-CB 4.04Å; Y181-V190 HydrophobicContact CD1-CG2 4.26Å; Y181-V190 HydrophobicContact CD2-CG2 3.8Å; Y181-V190 HydrophobicContact CG-CG2 3.57Å |
| 182 | F | 96.8 | Very high | 96.5 | Very high | 97 Ų | 97 | 62.4 Ų | 62.4 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.9 | -11 | 175.7 | -74.6 | -64.3 | 0 | 0 | 0 | 114.2 | F127 L128 I131 L178 T180 | F127-F182 HydrophobicContact CD1-CE1 4.36Å; F127-F182 AromaticContact CD1-CZ 3.99Å; F127-F182 HydrophobicContact CD1-CZ 3.99Å; F127-F182 HydrophobicContact CE1-CE1 4.44Å; F127-F182 HydrophobicContact CE1-CE2 4.49Å; F127-F182 AromaticContact CE1-CZ 3.92Å; F127-F182 HydrophobicContact CE1-CZ 3.92Å; L128-F182 HydrophobicContact CD2-CZ 3.99Å; I131-F182 HydrophobicContact CD1-CE2 3.97Å; I131-F182 HydrophobicContact CD1-CZ 3.92Å; L178-F182 WeakPolarHBondContact O-CD2 3.43Å; L178-F182 PolarHBondContact O-N 3.42Å; T180-F182 VanDerWaalsContact C-N 3.33Å; T180-F182 PolarHBondContact O-N 2.88Å |
| 183 | K | 96.6 | Very high | 96.4 | Very high | 182 Ų | 182 | 56.3 Ų | 56.3 | 79% | 0.791 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -98.5 | -40.6 | 174.7 | -62.1 | 175.8 | -177.9 | -178 | 0 | 112.7 | T180 Y181 | T180-K183 WeakPolarHBondContact O-CA 3.2Å; T180-K183 WeakPolarHBondContact O-CB 3.21Å; T180-K183 PolarHBondContact O-N 3.15Å; Y181-K183 PolarHBondContact O-N 2.93Å |
| 184 | D | 96.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 54 Ų | 54 | 35% | 0.348 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -111.2 | -12.2 | -171.1 | 72.6 | 3.8 | 0 | 0 | 0 | 115.2 | T180 Y181 K186 | T180-D184 PolarHBondContact O-N 2.97Å; Y181-D184 WeakPolarHBondContact CA-OD1 3.48Å; Y181-D184 PolarHBondContact O-N 3.1Å; D184-K186 HydrophobicContact CB-CG 4.29Å; D184-K186 PolarHBondContact O-N 3.33Å; D184-K186 WeakPolarHBondContact OD1-CB 3.47Å; D184-K186 PolarHBondContact OD1-N 2.88Å; D184-K186 WeakPolarHBondContact OD2-CD 3.35Å |
| 185 | G | 94.5 | Very high | 96.3 | Very high | 50 Ų | 50 | 54.3 Ų | 54.3 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | trans | 70.1 | 10 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y181 A187 | Y181-G185 WeakPolarHBondContact CE2-O 3.14Å; Y181-G185 WeakPolarHBondContact O-CA 3.44Å; Y181-G185 PolarHBondContact O-N 3.28Å; G185-A187 PolarHBondContact O-N 2.97Å | ||
| 186 | K | 94.7 | Very high | 96.1 | Very high | 120 Ų | 120 | 56.4 Ų | 56.4 | 52% | 0.522 | 28% | 0.284 | S | S | . | . | trans | -79.7 | 83.5 | -174.6 | -66.1 | -175.6 | -173.7 | 172.9 | 0 | 112.3 | D184 I188 N189 | D184-K186 HydrophobicContact CB-CG 4.29Å; D184-K186 PolarHBondContact O-N 3.33Å; D184-K186 WeakPolarHBondContact OD1-CB 3.47Å; D184-K186 PolarHBondContact OD1-N 2.88Å; D184-K186 WeakPolarHBondContact OD2-CD 3.35Å; K186-I188 PolarHBondContact O-N 3.25Å; K186-N189 PolarHBondContact O-N 3.09Å; K186-N189 VanDerWaalsContact O-N 3.16Å | ||
| 187 | A | 95.6 | Very high | 96 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.4 | -35.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I121 Y181 G185 N189 V190 F191 | I121-A187 HydrophobicContact CD1-CB 3.82Å; Y181-A187 HydrophobicContact CE2-CB 4.04Å; G185-A187 PolarHBondContact O-N 2.97Å; A187-N189 PolarHBondContact O-N 3.33Å; A187-V190 WeakPolarHBondContact O-CA 3.36Å; A187-V190 VanDerWaalsContact O-CB 3.31Å; A187-V190 WeakPolarHBondContact O-CB 3.49Å; A187-V190 PolarHBondContact O-N 3.02Å; A187-F191 HydrophobicContact CB-CE1 4.46Å; A187-F191 HydrophobicContact CB-CE2 4.2Å; A187-F191 HydrophobicContact CB-CZ 3.94Å; A187-F191 WeakPolarHBondContact O-CG 3.38Å; A187-F191 PolarHBondContact O-N 2.99Å; A187-F191 VanDerWaalsContact O-N 3.11Å |
| 188 | I | 94.7 | Very high | 95.9 | Very high | 65 Ų | 65 | 51.4 Ų | 51.4 | 33% | 0.333 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.3 | -37.4 | 179.8 | -171.2 | 59.3 | 0 | 0 | 0 | 113 | T77 K186 V190 F191 I192 | T77-I188 HydrophobicContact CG2-CD1 4.15Å; K186-I188 PolarHBondContact O-N 3.25Å; I188-V190 VanDerWaalsContact C-N 3.31Å; I188-V190 PolarHBondContact O-N 3.45Å; I188-F191 HydrophobicContact CD1-CD2 4.25Å; I188-F191 PolarHBondContact O-N 2.86Å; I188-I192 HydrophobicContact CG1-CD1 4.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.17Å; I188-I192 PolarHBondContact O-N 3.49Å |
| 189 | N | 94.7 | Very high | 95.6 | Very high | 62 Ų | 62 | 51 Ų | 51 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 178.8 | -68.8 | -25.8 | 0 | 0 | 0 | 111.1 | T177 K186 A187 F191 I192 S193 | T177-N189 HydrophobicContact CG2-CB 4.02Å; T177-N189 WeakPolarHBondContact CG2-O 3.49Å; K186-N189 PolarHBondContact O-N 3.09Å; K186-N189 VanDerWaalsContact O-N 3.16Å; A187-N189 PolarHBondContact O-N 3.33Å; N189-F191 VanDerWaalsContact C-N 3.34Å; N189-I192 PolarHBondContact O-N 3.19Å; N189-S193 VanDerWaalsContact O-CB 3.3Å; N189-S193 WeakPolarHBondContact O-CB 3.38Å; N189-S193 PolarHBondContact O-N 3.2Å |
| 190 | V | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 175 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | I117 I121 F127 F174 T177 L178 Y181 A187 I188 S193 A194 | I117-V190 HydrophobicContact CG2-CG1 3.9Å; I121-V190 HydrophobicContact CD1-CB 4.02Å; I121-V190 HydrophobicContact CD1-CG1 4.17Å; I121-V190 HydrophobicContact CD1-CG2 4.11Å; F127-V190 HydrophobicContact CZ-CG1 4.37Å; F174-V190 HydrophobicContact CE2-CG1 4.06Å; T177-V190 HydrophobicContact CG2-CG2 4.36Å; L178-V190 HydrophobicContact CD2-CG1 3.82Å; L178-V190 HydrophobicContact CD2-CG2 4.4Å; Y181-V190 HydrophobicContact CD1-CG2 4.26Å; Y181-V190 HydrophobicContact CD2-CG2 3.8Å; Y181-V190 HydrophobicContact CG-CG2 3.57Å; A187-V190 WeakPolarHBondContact O-CA 3.36Å; A187-V190 VanDerWaalsContact O-CB 3.31Å; A187-V190 WeakPolarHBondContact O-CB 3.49Å; A187-V190 PolarHBondContact O-N 3.02Å; I188-V190 VanDerWaalsContact C-N 3.31Å; I188-V190 PolarHBondContact O-N 3.45Å; V190-S193 PolarHBondContact O-N 3.26Å; V190-A194 WeakPolarHBondContact O-CB 3.48Å; V190-A194 PolarHBondContact O-N 3.05Å |
| 191 | F | 96.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 179.4 | -52.9 | -27.2 | 0 | 0 | 0 | 112.3 | T77 E78 L81 I117 P118 I121 A187 I188 N189 S193 A194 N195 | T77-F191 HydrophobicContact CG2-CB 3.7Å; E78-F191 HydrophobicContact CB-CD2 3.76Å; E78-F191 HydrophobicContact CB-CE2 3.85Å; E78-F191 HydrophobicContact CB-CG 4.49Å; E78-F191 HydrophobicContact CG-CD2 4.03Å; E78-F191 HydrophobicContact CG-CE2 3.68Å; E78-F191 HydrophobicContact CG-CZ 4.03Å; L81-F191 HydrophobicContact CD2-CB 4.2Å; L81-F191 HydrophobicContact CD2-CD1 4.02Å; L81-F191 HydrophobicContact CD2-CG 4.44Å; I117-F191 HydrophobicContact CG2-CD1 4.04Å; I117-F191 HydrophobicContact CG2-CE1 3.97Å; P118-F191 HydrophobicContact CB-CE1 4.43Å; P118-F191 HydrophobicContact CG-CD1 4.47Å; P118-F191 HydrophobicContact CG-CE1 4.28Å; I121-F191 HydrophobicContact CD1-CE1 3.92Å; I121-F191 HydrophobicContact CD1-CZ 4.5Å; I121-F191 HydrophobicContact CG2-CE1 4.22Å; I121-F191 HydrophobicContact CG2-CZ 4.23Å; A187-F191 HydrophobicContact CB-CE1 4.46Å; A187-F191 HydrophobicContact CB-CE2 4.2Å; A187-F191 HydrophobicContact CB-CZ 3.94Å; A187-F191 WeakPolarHBondContact O-CG 3.38Å; A187-F191 PolarHBondContact O-N 2.99Å; A187-F191 VanDerWaalsContact O-N 3.11Å; I188-F191 HydrophobicContact CD1-CD2 4.25Å; I188-F191 PolarHBondContact O-N 2.86Å; N189-F191 VanDerWaalsContact C-N 3.34Å; F191-S193 VanDerWaalsContact C-N 3.3Å; F191-S193 PolarHBondContact O-N 3.41Å; F191-A194 PolarHBondContact O-N 3.24Å; F191-N195 PolarHBondContact O-N 3.34Å; F191-N195 PolarHBondContact O-ND2 3.49Å; F191-N195 VanDerWaalsContact O-ND2 3.09Å |
| 192 | I | 94 | Very high | 95.1 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 30% | 0.297 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 175.2 | -65 | 171.9 | 0 | 0 | 0 | 110.3 | T77 I188 N189 N195 R196 | T77-I192 HydrophobicContact CG2-CB 4.43Å; T77-I192 HydrophobicContact CG2-CG1 3.67Å; I188-I192 HydrophobicContact CG1-CD1 4.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.17Å; I188-I192 PolarHBondContact O-N 3.49Å; N189-I192 PolarHBondContact O-N 3.19Å; I192-N195 PolarHBondContact O-N 3.33Å; I192-R196 WeakPolarHBondContact O-CG 3.27Å; I192-R196 PolarHBondContact O-N 3.32Å |
| 193 | S | 95.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70 | -35.1 | -177.8 | -158.4 | 0 | 0 | 0 | 0 | 112.8 | F174 T177 N189 V190 F191 R196 L197 | F174-S193 WeakPolarHBondContact CA-OG 3.3Å; T177-S193 PolarHBondContact OG1-OG 3.45Å; T177-S193 VanDerWaalsContact OG1-OG 3.09Å; N189-S193 VanDerWaalsContact O-CB 3.3Å; N189-S193 WeakPolarHBondContact O-CB 3.38Å; N189-S193 PolarHBondContact O-N 3.2Å; V190-S193 PolarHBondContact O-N 3.26Å; F191-S193 VanDerWaalsContact C-N 3.3Å; F191-S193 PolarHBondContact O-N 3.41Å; S193-R196 WeakPolarHBondContact O-CB 3.36Å; S193-R196 PolarHBondContact O-N 2.93Å; S193-L197 PolarHBondContact O-N 3.33Å; S193-L197 VanDerWaalsContact O-N 3.09Å |
| 194 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L81 L114 I117 F174 V190 F191 R196 L197 I198 | L81-A194 HydrophobicContact CD1-CB 3.77Å; L81-A194 HydrophobicContact CD2-CB 3.77Å; L81-A194 HydrophobicContact CG-CB 4.47Å; L114-A194 HydrophobicContact CD2-CB 4.25Å; I117-A194 HydrophobicContact CD1-CB 3.78Å; F174-A194 HydrophobicContact CE2-CB 3.98Å; V190-A194 WeakPolarHBondContact O-CB 3.48Å; V190-A194 PolarHBondContact O-N 3.05Å; F191-A194 PolarHBondContact O-N 3.24Å; A194-R196 VanDerWaalsContact C-N 3.29Å; A194-R196 PolarHBondContact O-N 3.31Å; A194-L197 WeakPolarHBondContact O-CB 3.45Å; A194-L197 PolarHBondContact O-N 3.21Å; A194-I198 PolarHBondContact O-N 3.13Å |
| 195 | N | 94.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 172.9 | -80.7 | -50.3 | 0 | 0 | 0 | 111.2 | M20 T77 L81 F191 I192 L197 I198 H199 | M20-N195 HydrophobicContact CE-CB 4.42Å; M20-N195 WeakPolarHBondContact CE-O 3.47Å; T77-N195 WeakPolarHBondContact CG2-ND2 3.39Å; T77-N195 PolarHBondContact O-ND2 3.09Å; L81-N195 VanDerWaalsContact CA-OD1 3.25Å; L81-N195 WeakPolarHBondContact CA-OD1 3.23Å; L81-N195 PolarHBondContact N-OD1 3.29Å; F191-N195 PolarHBondContact O-N 3.34Å; F191-N195 PolarHBondContact O-ND2 3.49Å; F191-N195 VanDerWaalsContact O-ND2 3.09Å; I192-N195 PolarHBondContact O-N 3.33Å; N195-L197 VanDerWaalsContact C-N 3.28Å; N195-L197 PolarHBondContact O-N 3.41Å; N195-I198 PolarHBondContact O-N 2.88Å; N195-H199 WeakPolarHBondContact O-CB 3.36Å; N195-H199 PolarHBondContact O-N 3.02Å |
| 196 | R | 93.9 | Very high | 94.4 | Very high | 98 Ų | 98 | 26.5 Ų | 26.5 | 37% | 0.37 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -55.7 | -43.5 | 172.7 | -76.3 | 169.6 | 173.7 | 172.8 | 4.4 | 112.4 | M17 Y170 I192 S193 A194 H199 Q200 | M17-R196 HydrophobicContact CE-CB 4.4Å; M17-R196 HydrophobicContact CE-CG 3.2Å; M17-R196 HydrophobicContact SD-CG 3.54Å; M17-R196 VanDerWaalsContact SD-CG 3.54Å; Y170-R196 HydrophobicContact CD1-CB 3.83Å; Y170-R196 HydrophobicContact CD1-CG 4.4Å; Y170-R196 HydrophobicContact CE1-CB 4.09Å; Y170-R196 HydrophobicContact CE1-CG 4.19Å; I192-R196 WeakPolarHBondContact O-CG 3.27Å; I192-R196 PolarHBondContact O-N 3.32Å; S193-R196 WeakPolarHBondContact O-CB 3.36Å; S193-R196 PolarHBondContact O-N 2.93Å; A194-R196 VanDerWaalsContact C-N 3.29Å; A194-R196 PolarHBondContact O-N 3.31Å; R196-H199 WeakPolarHBondContact O-CB 3.3Å; R196-H199 PolarHBondContact O-N 2.98Å; R196-Q200 WeakPolarHBondContact O-CG 3.46Å; R196-Q200 PolarHBondContact O-N 3.16Å |
| 197 | L | 95.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.9 | -38.9 | -179.6 | -172.7 | 59 | 0 | 0 | 0 | 112.5 | L114 I138 F167 F174 S193 A194 N195 H199 Q200 T201 | L114-L197 HydrophobicContact CD1-CB 4.16Å; L114-L197 HydrophobicContact CD1-CD2 3.96Å; L114-L197 HydrophobicContact CD1-CG 3.97Å; L114-L197 HydrophobicContact CD2-CD2 4.1Å; I138-L197 HydrophobicContact CD1-CD2 3.85Å; I138-L197 HydrophobicContact CG1-CD2 4.36Å; F167-L197 HydrophobicContact CD2-CD1 4.01Å; F167-L197 HydrophobicContact CE2-CD1 3.57Å; F167-L197 HydrophobicContact CE2-CG 4.44Å; F167-L197 HydrophobicContact CZ-CD1 4.09Å; F174-L197 HydrophobicContact CB-CD2 4.38Å; F174-L197 HydrophobicContact CD1-CD2 4.16Å; F174-L197 HydrophobicContact CG-CD2 4.25Å; S193-L197 PolarHBondContact O-N 3.33Å; S193-L197 VanDerWaalsContact O-N 3.09Å; A194-L197 WeakPolarHBondContact O-CB 3.45Å; A194-L197 PolarHBondContact O-N 3.21Å; N195-L197 VanDerWaalsContact C-N 3.28Å; N195-L197 PolarHBondContact O-N 3.41Å; L197-H199 VanDerWaalsContact C-N 3.3Å; L197-H199 PolarHBondContact O-N 2.9Å; L197-Q200 PolarHBondContact O-N 2.83Å; L197-T201 PolarHBondContact O-N 3.03Å; L197-T201 PolarHBondContact O-OG1 2.95Å |
| 198 | I | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 170.5 | -69.7 | -179.5 | 0 | 0 | 0 | 110.3 | M20 L81 A84 K111 L114 A194 N195 Q200 T201 N202 | M20-I198 HydrophobicContact CE-CB 4.45Å; M20-I198 HydrophobicContact CE-CG2 4.26Å; L81-I198 HydrophobicContact CD1-CD1 3.56Å; A84-I198 HydrophobicContact CB-CD1 3.93Å; A84-I198 HydrophobicContact CB-CG2 3.99Å; K111-I198 HydrophobicContact CD-CG2 4.05Å; K111-I198 HydrophobicContact CG-CG1 4.32Å; K111-I198 HydrophobicContact CG-CG2 3.98Å; L114-I198 HydrophobicContact CB-CD1 4.01Å; L114-I198 HydrophobicContact CB-CG1 4.03Å; L114-I198 HydrophobicContact CD1-CG1 3.62Å; L114-I198 HydrophobicContact CG-CG1 4.47Å; A194-I198 PolarHBondContact O-N 3.13Å; N195-I198 PolarHBondContact O-N 2.88Å; I198-Q200 PolarHBondContact O-N 3.18Å; I198-T201 WeakPolarHBondContact O-CA 3.32Å; I198-T201 VanDerWaalsContact O-CB 3.23Å; I198-T201 WeakPolarHBondContact O-CB 3.48Å; I198-T201 PolarHBondContact O-N 2.7Å; I198-T201 VanDerWaalsContact O-N 3.09Å; I198-N202 PolarHBondContact O-N 3.16Å |
| 199 | H | 92 | Very high | 93.6 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 177.9 | -175.1 | 60.9 | 0 | 0 | 0 | 112.1 | S16 M17 M20 N195 R196 L197 T201 N202 L203 | S16-H199 VanDerWaalsContact CB-CE1 3.46Å; S16-H199 WeakPolarHBondContact CB-CE1 3.33Å; S16-H199 VanDerWaalsContact CB-NE2 3.28Å; S16-H199 WeakPolarHBondContact CB-NE2 3.44Å; S16-H199 PolarHBondContact O-CE1 3.37Å; S16-H199 PolarHBondContact O-ND1 2.96Å; S16-H199 PolarHBondContact OG-CE1 3.35Å; S16-H199 PolarHBondContact OG-NE2 2.96Å; M17-H199 HydrophobicContact CG-CB 4.36Å; M20-H199 HydrophobicContact CE-CB 3.58Å; N195-H199 WeakPolarHBondContact O-CB 3.36Å; N195-H199 PolarHBondContact O-N 3.02Å; R196-H199 WeakPolarHBondContact O-CB 3.3Å; R196-H199 PolarHBondContact O-N 2.98Å; L197-H199 VanDerWaalsContact C-N 3.3Å; L197-H199 PolarHBondContact O-N 2.9Å; H199-T201 PolarHBondContact O-N 3.24Å; H199-N202 WeakPolarHBondContact O-CB 3.44Å; H199-N202 PolarHBondContact O-N 3.41Å; H199-N202 VanDerWaalsContact O-N 3.11Å; H199-L203 VanDerWaalsContact NE2-CD1 3.35Å; H199-L203 WeakPolarHBondContact NE2-CD1 3.37Å; H199-L203 WeakPolarHBondContact O-CG 3.48Å; H199-L203 PolarHBondContact O-N 2.81Å |
| 200 | Q | 94.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.5 | -30.6 | 177 | -67.5 | -60.9 | -33.3 | 0 | 0 | 112.7 | F167 Y170 R196 L197 I198 I204 | F167-Q200 HydrophobicContact CB-CB 4.47Å; F167-Q200 HydrophobicContact CD2-CB 3.91Å; Y170-Q200 HydrophobicContact CD1-CG 4.31Å; Y170-Q200 HydrophobicContact CD2-CG 3.62Å; Y170-Q200 HydrophobicContact CE2-CG 4.22Å; Y170-Q200 HydrophobicContact CG-CG 3.67Å; R196-Q200 WeakPolarHBondContact O-CG 3.46Å; R196-Q200 PolarHBondContact O-N 3.16Å; L197-Q200 PolarHBondContact O-N 2.83Å; I198-Q200 PolarHBondContact O-N 3.18Å; Q200-I204 WeakPolarHBondContact O-CG1 3.46Å; Q200-I204 PolarHBondContact O-N 2.9Å |
| 201 | T | 95.5 | 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 | -64 | -46.6 | 172.3 | -54 | 0 | 0 | 0 | 0 | 110.8 | A107 L110 K111 L141 F167 L197 I198 H199 I204 L205 | A107-T201 HydrophobicContact CB-CG2 3.6Å; L110-T201 HydrophobicContact CD2-CG2 4.4Å; K111-T201 HydrophobicContact CG-CG2 4.36Å; L141-T201 HydrophobicContact CD2-CG2 3.91Å; F167-T201 WeakPolarHBondContact CE2-OG1 3.16Å; L197-T201 PolarHBondContact O-N 3.03Å; L197-T201 PolarHBondContact O-OG1 2.95Å; I198-T201 WeakPolarHBondContact O-CA 3.32Å; I198-T201 VanDerWaalsContact O-CB 3.23Å; I198-T201 WeakPolarHBondContact O-CB 3.48Å; I198-T201 PolarHBondContact O-N 2.7Å; I198-T201 VanDerWaalsContact O-N 3.09Å; H199-T201 PolarHBondContact O-N 3.24Å; T201-I204 WeakPolarHBondContact O-CB 3.49Å; T201-I204 PolarHBondContact O-N 3.26Å; T201-L205 PolarHBondContact O-N 3.03Å |
| 202 | N | 93.5 | Very high | 90.2 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.2 | -72.2 | -20.2 | 0 | 0 | 0 | 112.3 | Y91 I198 H199 I204 L205 Q206 | Y91-N202 HydrophobicContact CD1-CB 4.23Å; Y91-N202 HydrophobicContact CD2-CB 3.53Å; Y91-N202 VanDerWaalsContact CD2-CG 3.48Å; Y91-N202 HydrophobicContact CE1-CB 4.43Å; Y91-N202 HydrophobicContact CE2-CB 3.8Å; Y91-N202 HydrophobicContact CG-CB 3.79Å; I198-N202 PolarHBondContact O-N 3.16Å; H199-N202 WeakPolarHBondContact O-CB 3.44Å; H199-N202 PolarHBondContact O-N 3.41Å; H199-N202 VanDerWaalsContact O-N 3.11Å; N202-I204 VanDerWaalsContact C-N 3.32Å; N202-I204 PolarHBondContact O-N 3.42Å; N202-L205 PolarHBondContact O-N 3.47Å; N202-L205 VanDerWaalsContact O-N 3.16Å; N202-Q206 PolarHBondContact O-N 2.71Å |
| 203 | L | 91.5 | Very high | 90.1 | Very high | 21 Ų | 21 | 25.6 Ų | 25.6 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -33.9 | 176.2 | -71.4 | -176.4 | 0 | 0 | 0 | 112.8 | Q163 H199 Q206 T207 | Q163-L203 HydrophobicContact CG-CB 4.41Å; H199-L203 VanDerWaalsContact NE2-CD1 3.35Å; H199-L203 WeakPolarHBondContact NE2-CD1 3.37Å; H199-L203 WeakPolarHBondContact O-CG 3.48Å; H199-L203 PolarHBondContact O-N 2.81Å; L203-Q206 PolarHBondContact O-N 2.91Å; L203-T207 WeakPolarHBondContact O-CB 3.42Å; L203-T207 PolarHBondContact O-N 2.73Å; L203-T207 PolarHBondContact O-OG1 3.27Å |
| 204 | I | 92.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.8 | -53.8 | 170.1 | -77.5 | 173.9 | 0 | 0 | 0 | 109.4 | L103 V145 Q163 F167 Q200 T201 N202 Q206 T207 F208 | L103-I204 HydrophobicContact CD1-CG2 4.44Å; V145-I204 HydrophobicContact CG2-CG2 3.92Å; Q163-I204 HydrophobicContact CG-CB 4.48Å; Q163-I204 HydrophobicContact CG-CG1 3.82Å; F167-I204 HydrophobicContact CB-CD1 3.54Å; F167-I204 HydrophobicContact CB-CG1 4.28Å; F167-I204 HydrophobicContact CD1-CD1 3.97Å; F167-I204 HydrophobicContact CD2-CD1 3.62Å; F167-I204 HydrophobicContact CE2-CD1 4.33Å; F167-I204 HydrophobicContact CG-CD1 3.42Å; F167-I204 VanDerWaalsContact CG-CD1 3.42Å; Q200-I204 WeakPolarHBondContact O-CG1 3.46Å; Q200-I204 PolarHBondContact O-N 2.9Å; T201-I204 WeakPolarHBondContact O-CB 3.49Å; T201-I204 PolarHBondContact O-N 3.26Å; N202-I204 VanDerWaalsContact C-N 3.32Å; N202-I204 PolarHBondContact O-N 3.42Å; I204-Q206 VanDerWaalsContact C-N 3.35Å; I204-Q206 PolarHBondContact O-N 3.43Å; I204-T207 PolarHBondContact O-N 2.75Å; I204-F208 HydrophobicContact CG2-CD2 3.91Å; I204-F208 HydrophobicContact CG2-CE2 4.02Å; I204-F208 WeakPolarHBondContact O-CD2 3.49Å; I204-F208 PolarHBondContact O-N 2.99Å |
| 205 | L | 93.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | -178.9 | -60.6 | -179 | 0 | 0 | 0 | 111.5 | Y91 I93 L103 A107 T201 N202 T207 F208 K209 | Y91-L205 WeakPolarHBondContact O-CB 3.39Å; I93-L205 HydrophobicContact CD1-CD2 4.07Å; I93-L205 HydrophobicContact CG1-CB 4.43Å; L103-L205 HydrophobicContact CD1-CD2 4.46Å; L103-L205 HydrophobicContact CD2-CD2 4.34Å; L103-L205 HydrophobicContact CG-CD2 3.82Å; A107-L205 HydrophobicContact CB-CD1 3.7Å; A107-L205 HydrophobicContact CB-CD2 3.76Å; A107-L205 HydrophobicContact CB-CG 3.9Å; T201-L205 PolarHBondContact O-N 3.03Å; N202-L205 PolarHBondContact O-N 3.47Å; N202-L205 VanDerWaalsContact O-N 3.16Å; L205-T207 VanDerWaalsContact C-N 3.3Å; L205-T207 PolarHBondContact O-N 2.87Å; L205-F208 CarbonylContact O-C 3.55Å; L205-F208 PolarHBondContact O-N 3.33Å; L205-K209 WeakPolarHBondContact O-CB 3.32Å; L205-K209 PolarHBondContact O-N 2.96Å |
| 206 | Q | 90.9 | Very high | 89.1 | Confident | 74 Ų | 74 | 29.3 Ų | 29.3 | 35% | 0.346 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 177.8 | -165.8 | 179.6 | 6.1 | 0 | 0 | 112.6 | Y91 N202 L203 I204 K209 T210 | Y91-Q206 HydrophobicContact CD1-CB 3.96Å; Y91-Q206 HydrophobicContact CD1-CG 4.25Å; N202-Q206 PolarHBondContact O-N 2.71Å; L203-Q206 PolarHBondContact O-N 2.91Å; I204-Q206 VanDerWaalsContact C-N 3.35Å; I204-Q206 PolarHBondContact O-N 3.43Å; Q206-K209 PolarHBondContact O-N 3.27Å; Q206-T210 WeakPolarHBondContact O-CG2 3.23Å; Q206-T210 PolarHBondContact O-N 3.25Å; Q206-T210 PolarHBondContact O-OG1 3.01Å |
| 207 | T | 90.1 | Very high | 88.8 | Confident | 22 Ų | 22 | 25 Ų | 25 | 14% | 0.135 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 178.6 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | A159 L160 Q163 L203 I204 L205 K209 T210 V211 | A159-T207 HydrophobicContact CB-CG2 4.25Å; L160-T207 HydrophobicContact CD2-CG2 3.56Å; L160-T207 HydrophobicContact CG-CG2 4.13Å; Q163-T207 HydrophobicContact CB-CG2 4.44Å; L203-T207 WeakPolarHBondContact O-CB 3.42Å; L203-T207 PolarHBondContact O-N 2.73Å; L203-T207 PolarHBondContact O-OG1 3.27Å; I204-T207 PolarHBondContact O-N 2.75Å; L205-T207 VanDerWaalsContact C-N 3.3Å; L205-T207 PolarHBondContact O-N 2.87Å; T207-K209 VanDerWaalsContact C-N 3.34Å; T207-T210 WeakPolarHBondContact CA-OG1 3.31Å; T207-T210 PolarHBondContact O-N 2.94Å; T207-T210 PolarHBondContact O-OG1 3.28Å; T207-T210 VanDerWaalsContact O-OG1 3.1Å; T207-V211 HydrophobicContact CG2-CG2 4.12Å; T207-V211 VanDerWaalsContact O-CB 3.28Å; T207-V211 WeakPolarHBondContact O-CB 3.21Å; T207-V211 VanDerWaalsContact O-CG2 3.3Å; T207-V211 WeakPolarHBondContact O-CG2 3.34Å; T207-V211 PolarHBondContact O-N 3.02Å |
| 208 | F | 90.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.6 | -37.4 | 172.5 | -84 | -76.9 | 0 | 0 | 0 | 112.4 | I93 F100 L103 V145 V148 F149 Y154 L160 I204 L205 T210 A212 | I93-F208 HydrophobicContact CD1-CB 3.6Å; I93-F208 HydrophobicContact CG1-CB 4.44Å; F100-F208 HydrophobicContact CE1-CD1 4.19Å; L103-F208 HydrophobicContact CD2-CB 4.2Å; L103-F208 HydrophobicContact CD2-CD1 4.35Å; L103-F208 HydrophobicContact CD2-CD2 3.54Å; L103-F208 HydrophobicContact CD2-CE2 3.95Å; L103-F208 HydrophobicContact CD2-CG 3.77Å; V145-F208 HydrophobicContact CG1-CE2 4.06Å; V145-F208 HydrophobicContact CG1-CZ 4.08Å; V145-F208 HydrophobicContact CG2-CE2 4.09Å; V148-F208 HydrophobicContact CB-CE1 4.04Å; V148-F208 HydrophobicContact CB-CZ 4.34Å; V148-F208 HydrophobicContact CG1-CD1 3.91Å; V148-F208 HydrophobicContact CG1-CE1 3.36Å; V148-F208 HydrophobicContact CG1-CZ 4.13Å; F149-F208 HydrophobicContact CE2-CZ 4.38Å; F149-F208 HydrophobicContact CZ-CZ 4.47Å; Y154-F208 HydrophobicContact CE2-CE1 4.29Å; L160-F208 HydrophobicContact CD1-CD1 4.23Å; L160-F208 HydrophobicContact CD1-CE1 3.9Å; L160-F208 HydrophobicContact CD1-CZ 4.41Å; L160-F208 HydrophobicContact CD2-CB 4.37Å; L160-F208 HydrophobicContact CD2-CD1 3.67Å; L160-F208 HydrophobicContact CD2-CD2 3.73Å; L160-F208 HydrophobicContact CD2-CE1 3.76Å; L160-F208 HydrophobicContact CD2-CE2 3.83Å; L160-F208 HydrophobicContact CD2-CG 3.66Å; L160-F208 HydrophobicContact CD2-CZ 3.85Å; L160-F208 HydrophobicContact CG-CE1 4.42Å; I204-F208 HydrophobicContact CG2-CD2 3.91Å; I204-F208 HydrophobicContact CG2-CE2 4.02Å; I204-F208 WeakPolarHBondContact O-CD2 3.49Å; I204-F208 PolarHBondContact O-N 2.99Å; L205-F208 CarbonylContact O-C 3.55Å; L205-F208 PolarHBondContact O-N 3.33Å; F208-T210 VanDerWaalsContact C-N 3.32Å; F208-T210 PolarHBondContact O-N 3.48Å; F208-A212 WeakPolarHBondContact O-CB 3.42Å; F208-A212 PolarHBondContact O-N 3.28Å; F208-A212 VanDerWaalsContact O-N 3.14Å |
| 209 | K | 88.6 | Confident | 87.8 | Confident | 64 Ų | 64 | 28.5 Ų | 28.5 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.1 | -35.4 | 176 | -172.2 | 175.7 | -172.7 | 152.9 | 0 | 112.9 | E89 M92 I93 E94 L205 Q206 T207 | E89-K209 PolarHBondContact O-NZ 2.96Å; E89-K209 VanDerWaalsContact O-NZ 3.14Å; M92-K209 WeakPolarHBondContact O-CD 3.45Å; M92-K209 WeakPolarHBondContact O-CE 3.45Å; M92-K209 PolarHBondContact O-NZ 3.1Å; I93-K209 HydrophobicContact CG1-CB 4.4Å; E94-K209 IonicContact OE1-NZ 3.83Å; E94-K209 PolarHBondContact OE1-NZ 3Å; L205-K209 WeakPolarHBondContact O-CB 3.32Å; L205-K209 PolarHBondContact O-N 2.96Å; Q206-K209 PolarHBondContact O-N 3.27Å; T207-K209 VanDerWaalsContact C-N 3.34Å |
| 210 | T | 83.6 | Confident | 87.5 | Confident | 101 Ų | 101 | 30.6 Ų | 30.6 | 62% | 0.62 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -91.4 | -25.5 | -175.2 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | Q206 T207 F208 | Q206-T210 WeakPolarHBondContact O-CG2 3.23Å; Q206-T210 PolarHBondContact O-N 3.25Å; Q206-T210 PolarHBondContact O-OG1 3.01Å; T207-T210 WeakPolarHBondContact CA-OG1 3.31Å; T207-T210 PolarHBondContact O-N 2.94Å; T207-T210 PolarHBondContact O-OG1 3.28Å; T207-T210 VanDerWaalsContact O-OG1 3.1Å; F208-T210 VanDerWaalsContact C-N 3.32Å; F208-T210 PolarHBondContact O-N 3.48Å |
| 211 | V | 74.6 | Confident | 86.9 | Confident | 23 Ų | 23 | 33 Ų | 33 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -95.2 | -19.4 | -178.7 | 171.8 | 0 | 0 | 0 | 0 | 112.7 | Y154 N156 A159 L160 T207 | Y154-V211 HydrophobicContact CD1-CG1 3.98Å; Y154-V211 HydrophobicContact CG-CG1 4.09Å; N156-V211 HydrophobicContact CB-CB 4.36Å; N156-V211 HydrophobicContact CB-CG1 3.67Å; N156-V211 HydrophobicContact CB-CG2 3.84Å; A159-V211 HydrophobicContact CB-CG2 4.42Å; L160-V211 HydrophobicContact CD1-CB 4.32Å; L160-V211 HydrophobicContact CD1-CG1 3.71Å; L160-V211 HydrophobicContact CD2-CB 4.45Å; L160-V211 HydrophobicContact CG-CB 4.28Å; L160-V211 HydrophobicContact CG-CG1 4.04Å; L160-V211 HydrophobicContact CG-CG2 4.42Å; T207-V211 HydrophobicContact CG2-CG2 4.12Å; T207-V211 VanDerWaalsContact O-CB 3.28Å; T207-V211 WeakPolarHBondContact O-CB 3.21Å; T207-V211 VanDerWaalsContact O-CG2 3.3Å; T207-V211 WeakPolarHBondContact O-CG2 3.34Å; T207-V211 PolarHBondContact O-N 3.02Å |
| 212 | A | 58.1 | Low | 86.1 | Confident | 76 Ų | 76 | 36 Ų | 36 | 63% | 0.628 | 21% | 0.212 | S | C | * | . | trans | -75.1 | 0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y154 F208 | Y154-A212 HydrophobicContact CE1-CB 4.44Å; F208-A212 WeakPolarHBondContact O-CB 3.42Å; F208-A212 PolarHBondContact O-N 3.28Å; F208-A212 VanDerWaalsContact O-N 3.14Å |
Retrieved 212 of 212 residues in 245.9 ms
(Link to these results)