| 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 | 65.7 | Low | 85.5 | Confident | 128 Ų | 128 | 53.3 Ų | 53.3 | 63% | 0.631 | 31% | 0.311 | S | S | * | . | 0 | 133.8 | 0 | -104.2 | 180 | -105.5 | 0 | 0 | 108.1 | P3 I6 S42 V43 C46 L49 | M1-P3 VanDerWaalsContact O-CD 3.32Å; M1-P3 WeakPolarHBondContact O-CD 3.36Å; M1-I6 HydrophobicContact SD-CD1 4.34Å; M1-S42 WeakPolarHBondContact CE-O 3.49Å; M1-V43 HydrophobicContact SD-CG2 4.02Å; M1-C46 HydrophobicContact CE-CB 3.6Å; M1-C46 HydrophobicContact SD-CB 4.27Å; M1-L49 HydrophobicContact SD-CD1 4.19Å | |||
| 2 | D | 77.2 | Confident | 85.7 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | trans | -75.2 | 115 | 177.3 | -177.2 | -3.9 | 0 | 0 | 0 | 109.7 | T4 V5 | D2-T4 PolarHBondContact O-N 3.4Å; D2-T4 VanDerWaalsContact O-N 3.15Å; D2-T4 WeakPolarHBondContact OD1-CB 3.39Å; D2-T4 PolarHBondContact OD1-N 3.4Å; D2-T4 PolarHBondContact OD1-OG1 2.9Å; D2-V5 HydrophobicContact CB-CB 4.41Å; D2-V5 HydrophobicContact CB-CG2 3.94Å; D2-V5 PolarHBondContact O-N 3.44Å; D2-V5 VanDerWaalsContact O-N 3.15Å | ||
| 3 | P | 83 | Confident | 85.7 | Confident | 100 Ų | 100 | 54.4 Ų | 54.4 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.5 | -28 | 176.6 | -22.7 | 34 | 0 | 0 | 0 | 112.9 | M1 V5 I6 A7 | M1-P3 VanDerWaalsContact O-CD 3.32Å; M1-P3 WeakPolarHBondContact O-CD 3.36Å; P3-V5 VanDerWaalsContact C-N 3.35Å; P3-V5 PolarHBondContact O-N 3.49Å; P3-I6 PolarHBondContact O-N 2.69Å; P3-A7 PolarHBondContact O-N 3.2Å |
| 4 | T | 86 | Confident | 85.7 | Confident | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.454 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 179.1 | -39.2 | 0 | 0 | 0 | 0 | 111.3 | D2 A7 C8 M30 | D2-T4 PolarHBondContact O-N 3.4Å; D2-T4 VanDerWaalsContact O-N 3.15Å; D2-T4 WeakPolarHBondContact OD1-CB 3.39Å; D2-T4 PolarHBondContact OD1-N 3.4Å; D2-T4 PolarHBondContact OD1-OG1 2.9Å; T4-A7 PolarHBondContact O-N 3.01Å; T4-C8 PolarHBondContact O-N 2.93Å; T4-C8 PolarHBondContact O-SG 3.08Å; T4-C8 VanDerWaalsContact O-SG 3.39Å; T4-M30 HydrophobicContact CG2-CE 3.76Å |
| 5 | V | 88.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 179.2 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | D2 P3 C8 L9 M30 M40 | D2-V5 HydrophobicContact CB-CB 4.41Å; D2-V5 HydrophobicContact CB-CG2 3.94Å; D2-V5 PolarHBondContact O-N 3.44Å; D2-V5 VanDerWaalsContact O-N 3.15Å; P3-V5 VanDerWaalsContact C-N 3.35Å; P3-V5 PolarHBondContact O-N 3.49Å; V5-C8 PolarHBondContact O-N 2.66Å; V5-L9 HydrophobicContact CG1-CD1 4.12Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 2.74Å; V5-M30 HydrophobicContact CG2-SD 3.99Å; V5-M40 HydrophobicContact CG1-CE 3.21Å |
| 6 | I | 89 | Confident | 85.1 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 178.6 | -63.4 | 170 | 0 | 0 | 0 | 110.5 | M1 P3 C8 L9 Q10 V43 L49 I53 | M1-I6 HydrophobicContact SD-CD1 4.34Å; P3-I6 PolarHBondContact O-N 2.69Å; I6-C8 PolarHBondContact O-N 2.74Å; I6-L9 PolarHBondContact O-N 3.32Å; I6-Q10 WeakPolarHBondContact O-CG 3.29Å; I6-Q10 PolarHBondContact O-N 2.68Å; I6-V43 HydrophobicContact CG1-CG2 4.36Å; I6-L49 HydrophobicContact CD1-CD1 4.3Å; I6-L49 HydrophobicContact CD1-CD2 4.18Å; I6-I53 HydrophobicContact CG2-CD1 4.42Å; I6-I53 HydrophobicContact CG2-CG2 4.45Å |
| 7 | A | 89.4 | Confident | 84.8 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | P3 T4 Q10 G11 | P3-A7 PolarHBondContact O-N 3.2Å; T4-A7 PolarHBondContact O-N 3.01Å; A7-Q10 PolarHBondContact O-N 3.22Å; A7-G11 PolarHBondContact O-N 3.26Å |
| 8 | C | 91.1 | Very high | 84.6 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 12% | 0.122 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 174.7 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | T4 V5 I6 Q10 G11 T12 A23 L27 M30 | T4-C8 PolarHBondContact O-N 2.93Å; T4-C8 PolarHBondContact O-SG 3.08Å; T4-C8 VanDerWaalsContact O-SG 3.39Å; V5-C8 PolarHBondContact O-N 2.66Å; I6-C8 PolarHBondContact O-N 2.74Å; C8-Q10 VanDerWaalsContact C-N 3.33Å; C8-Q10 PolarHBondContact O-N 2.88Å; C8-G11 WeakPolarHBondContact O-CA 3.4Å; C8-G11 PolarHBondContact O-N 3.22Å; C8-G11 VanDerWaalsContact O-N 3.09Å; C8-T12 PolarHBondContact O-N 2.95Å; C8-T12 VanDerWaalsContact O-N 3.09Å; C8-A23 WeakPolarHBondContact O-CB 3.46Å; C8-L27 HydrophobicContact CB-CD2 3.99Å; C8-L27 HydrophobicContact CB-CG 4.04Å; C8-M30 HydrophobicContact CB-CE 4.44Å; C8-M30 WeakPolarHBondContact SG-CE 3.3Å |
| 9 | L | 91.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 176.4 | -69.8 | 170.5 | 0 | 0 | 0 | 111.7 | V5 I6 G11 T12 L27 M40 V43 I53 A56 A57 A60 | V5-L9 HydrophobicContact CG1-CD1 4.12Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 2.74Å; I6-L9 PolarHBondContact O-N 3.32Å; L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.15Å; L9-T12 PolarHBondContact O-N 3.26Å; L9-T12 PolarHBondContact O-OG1 3.5Å; L9-L27 HydrophobicContact CD2-CD1 4.05Å; L9-L27 HydrophobicContact CD2-CD2 4.17Å; L9-L27 HydrophobicContact CG-CD2 4.45Å; L9-M40 HydrophobicContact CD1-CE 4.29Å; L9-M40 HydrophobicContact CD2-SD 4.46Å; L9-V43 HydrophobicContact CD1-CG1 3.96Å; L9-I53 HydrophobicContact CB-CG2 4.31Å; L9-I53 HydrophobicContact CD1-CG2 4.28Å; L9-A56 HydrophobicContact CB-CB 4.38Å; L9-A56 HydrophobicContact CD2-CB 4.11Å; L9-A57 HydrophobicContact CD1-CB 3.82Å; L9-A60 HydrophobicContact CD2-CB 4.18Å |
| 10 | Q | 91.3 | Very high | 84.5 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 172.7 | -73.2 | 174.4 | -24.8 | 0 | 0 | 112.1 | I6 A7 C8 T12 M13 I53 | I6-Q10 WeakPolarHBondContact O-CG 3.29Å; I6-Q10 PolarHBondContact O-N 2.68Å; A7-Q10 PolarHBondContact O-N 3.22Å; C8-Q10 VanDerWaalsContact C-N 3.33Å; C8-Q10 PolarHBondContact O-N 2.88Å; Q10-T12 VanDerWaalsContact C-N 3.29Å; Q10-T12 PolarHBondContact O-N 3.47Å; Q10-M13 PolarHBondContact O-N 2.94Å; Q10-I53 HydrophobicContact CG-CD1 3.75Å; Q10-I53 HydrophobicContact CG-CG1 3.95Å; Q10-I53 VanDerWaalsContact NE2-CD1 3.34Å |
| 11 | G | 87.4 | Confident | 84.4 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.8 | -34.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A7 C8 L9 M13 S14 R20 | A7-G11 PolarHBondContact O-N 3.26Å; C8-G11 WeakPolarHBondContact O-CA 3.4Å; C8-G11 PolarHBondContact O-N 3.22Å; C8-G11 VanDerWaalsContact O-N 3.09Å; L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.15Å; G11-M13 PolarHBondContact O-N 2.91Å; G11-M13 VanDerWaalsContact O-N 3.16Å; G11-S14 VanDerWaalsContact O-CB 3.22Å; G11-S14 WeakPolarHBondContact O-CB 3.42Å; G11-S14 PolarHBondContact O-N 3.45Å; G11-R20 WeakPolarHBondContact O-CG 3.47Å |
| 12 | T | 87.2 | Confident | 85.5 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.9 | 176.1 | 66.5 | 0 | 0 | 0 | 0 | 114 | C8 L9 Q10 R20 A23 E24 L27 | C8-T12 PolarHBondContact O-N 2.95Å; C8-T12 VanDerWaalsContact O-N 3.09Å; L9-T12 PolarHBondContact O-N 3.26Å; L9-T12 PolarHBondContact O-OG1 3.5Å; Q10-T12 VanDerWaalsContact C-N 3.29Å; Q10-T12 PolarHBondContact O-N 3.47Å; T12-R20 WeakPolarHBondContact O-CD 3.32Å; T12-R20 WeakPolarHBondContact O-CG 3.4Å; T12-A23 HydrophobicContact CG2-CB 3.94Å; T12-E24 HydrophobicContact CG2-CG 4.13Å; T12-L27 HydrophobicContact CG2-CD1 3.4Å |
| 13 | M | 86.8 | Confident | 85.9 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.6 | 177.8 | -55.4 | -180 | -70.3 | 0 | 0 | 112.6 | Q10 G11 E52 I53 A56 | Q10-M13 PolarHBondContact O-N 2.94Å; G11-M13 PolarHBondContact O-N 2.91Å; G11-M13 VanDerWaalsContact O-N 3.16Å; M13-E52 HydrophobicContact CE-CB 4.21Å; M13-E52 HydrophobicContact SD-CB 3.73Å; M13-I53 HydrophobicContact CE-CG1 3.94Å; M13-A56 HydrophobicContact SD-CB 4.2Å |
| 14 | S | 84.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | trans | -64.3 | 144.9 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | G11 D16 R20 | G11-S14 VanDerWaalsContact O-CB 3.22Å; G11-S14 WeakPolarHBondContact O-CB 3.42Å; G11-S14 PolarHBondContact O-N 3.45Å; S14-D16 PolarHBondContact O-N 3.26Å; S14-D16 PolarHBondContact OG-N 3.36Å; S14-D16 VanDerWaalsContact OG-N 3.17Å; S14-R20 WeakPolarHBondContact O-CD 3.25Å; S14-R20 VanDerWaalsContact O-CG 3.27Å; S14-R20 WeakPolarHBondContact O-CG 3.07Å; S14-R20 PolarHBondContact O-NE 3.1Å | ||
| 15 | S | 81.1 | Confident | 86.1 | Confident | 127 Ų | 127 | 63.7 Ų | 63.7 | 89% | 0.888 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -68.5 | -20.4 | 169.5 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 16 | D | 81.1 | Confident | 86.1 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -82.6 | 127.4 | 176.6 | 175.1 | 49.4 | 0 | 0 | 0 | 112 | S14 N18 T19 R20 | S14-D16 PolarHBondContact O-N 3.26Å; S14-D16 PolarHBondContact OG-N 3.36Å; S14-D16 VanDerWaalsContact OG-N 3.17Å; D16-N18 PolarHBondContact O-N 2.69Å; D16-N18 PolarHBondContact OD2-N 3.38Å; D16-T19 WeakPolarHBondContact OD2-CB 3.49Å; D16-T19 PolarHBondContact OD2-N 3.08Å; D16-T19 PolarHBondContact OD2-OG1 3.33Å; D16-R20 WeakPolarHBondContact O-CG 3.5Å; D16-R20 PolarHBondContact O-N 2.94Å; D16-R20 VanDerWaalsContact O-N 3.13Å |
| 17 | L | 79.2 | Confident | 86.1 | Confident | 90 Ų | 90 | 64 Ų | 64 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | -178.1 | -178.6 | 65.9 | 0 | 0 | 0 | 112.3 | R20 K21 | L17-R20 PolarHBondContact O-N 3.46Å; L17-K21 WeakPolarHBondContact O-CG 3.37Å; L17-K21 PolarHBondContact O-N 3.44Å |
| 18 | N | 82.4 | Confident | 85.9 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.5 | -45.2 | -177.9 | -68.8 | -28.6 | 0 | 0 | 0 | 110.8 | D16 R20 K21 E22 | D16-N18 PolarHBondContact O-N 2.69Å; D16-N18 PolarHBondContact OD2-N 3.38Å; N18-R20 VanDerWaalsContact C-N 3.28Å; N18-R20 PolarHBondContact O-N 3.2Å; N18-K21 PolarHBondContact O-N 3.02Å; N18-E22 WeakPolarHBondContact O-CB 3.37Å; N18-E22 WeakPolarHBondContact O-CG 3.37Å; N18-E22 PolarHBondContact O-N 3.28Å |
| 19 | T | 83.7 | Confident | 85.7 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 34% | 0.337 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 173.6 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | D16 A23 | D16-T19 WeakPolarHBondContact OD2-CB 3.49Å; D16-T19 PolarHBondContact OD2-N 3.08Å; D16-T19 PolarHBondContact OD2-OG1 3.33Å; T19-A23 WeakPolarHBondContact O-CB 3.27Å; T19-A23 PolarHBondContact O-N 3.13Å |
| 20 | R | 83.6 | Confident | 85.5 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 175.3 | -75.8 | -169.5 | -69.8 | 158.5 | 0.5 | 112.4 | G11 T12 S14 D16 L17 N18 E22 A23 E24 | G11-R20 WeakPolarHBondContact O-CG 3.47Å; T12-R20 WeakPolarHBondContact O-CD 3.32Å; T12-R20 WeakPolarHBondContact O-CG 3.4Å; S14-R20 WeakPolarHBondContact O-CD 3.25Å; S14-R20 VanDerWaalsContact O-CG 3.27Å; S14-R20 WeakPolarHBondContact O-CG 3.07Å; S14-R20 PolarHBondContact O-NE 3.1Å; D16-R20 WeakPolarHBondContact O-CG 3.5Å; D16-R20 PolarHBondContact O-N 2.94Å; D16-R20 VanDerWaalsContact O-N 3.13Å; L17-R20 PolarHBondContact O-N 3.46Å; N18-R20 VanDerWaalsContact C-N 3.28Å; N18-R20 PolarHBondContact O-N 3.2Å; R20-E22 PolarHBondContact O-N 3.15Å; R20-A23 PolarHBondContact O-N 3.33Å; R20-E24 WeakPolarHBondContact O-CB 3.27Å; R20-E24 VanDerWaalsContact O-CG 3.29Å; R20-E24 WeakPolarHBondContact O-CG 3.16Å; R20-E24 PolarHBondContact O-N 2.86Å |
| 21 | K | 82.7 | Confident | 85.3 | Confident | 125 Ų | 125 | 64.4 Ų | 64.4 | 54% | 0.543 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 178.9 | -77.1 | -173.6 | 174 | -172.7 | 0 | 112.3 | L17 N18 E24 A25 | L17-K21 WeakPolarHBondContact O-CG 3.37Å; L17-K21 PolarHBondContact O-N 3.44Å; N18-K21 PolarHBondContact O-N 3.02Å; K21-E24 PolarHBondContact O-N 3.13Å; K21-A25 VanDerWaalsContact O-CB 3.27Å; K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 3.31Å |
| 22 | E | 87.6 | Confident | 85.1 | Confident | 143 Ų | 143 | 68 Ų | 68 | 67% | 0.668 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 176.8 | -72.8 | 177.8 | -174.1 | 0 | 0 | 111.3 | N18 R20 A25 A26 | N18-E22 WeakPolarHBondContact O-CB 3.37Å; N18-E22 WeakPolarHBondContact O-CG 3.37Å; N18-E22 PolarHBondContact O-N 3.28Å; R20-E22 PolarHBondContact O-N 3.15Å; E22-A25 PolarHBondContact O-N 2.89Å; E22-A26 VanDerWaalsContact O-CB 3.24Å; E22-A26 WeakPolarHBondContact O-CB 3.25Å; E22-A26 PolarHBondContact O-N 2.94Å |
| 23 | A | 86.9 | Confident | 85.1 | Confident | 8 Ų | 8 | 71 Ų | 71 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C8 T12 T19 R20 A26 L27 | C8-A23 WeakPolarHBondContact O-CB 3.46Å; T12-A23 HydrophobicContact CG2-CB 3.94Å; T19-A23 WeakPolarHBondContact O-CB 3.27Å; T19-A23 PolarHBondContact O-N 3.13Å; R20-A23 PolarHBondContact O-N 3.33Å; A23-A26 PolarHBondContact O-N 3.32Å; A23-L27 WeakPolarHBondContact O-CB 3.39Å; A23-L27 WeakPolarHBondContact O-CG 3.46Å; A23-L27 PolarHBondContact O-N 3.49Å |
| 24 | E | 86.1 | Confident | 84.9 | Confident | 96 Ų | 96 | 71.8 Ų | 71.8 | 45% | 0.449 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 174.7 | -74.5 | 170.4 | -171.2 | 0 | 0 | 111.2 | T12 R20 K21 A26 L27 I28 | T12-E24 HydrophobicContact CG2-CG 4.13Å; R20-E24 WeakPolarHBondContact O-CB 3.27Å; R20-E24 VanDerWaalsContact O-CG 3.29Å; R20-E24 WeakPolarHBondContact O-CG 3.16Å; R20-E24 PolarHBondContact O-N 2.86Å; K21-E24 PolarHBondContact O-N 3.13Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 3Å; E24-L27 PolarHBondContact O-N 3.42Å; E24-I28 VanDerWaalsContact O-CG1 3.26Å; E24-I28 WeakPolarHBondContact O-CG1 3.32Å; E24-I28 PolarHBondContact O-N 3.16Å |
| 25 | A | 86 | Confident | 85.1 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K21 E22 I28 A29 | K21-A25 VanDerWaalsContact O-CB 3.27Å; K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 3.31Å; E22-A25 PolarHBondContact O-N 2.89Å; A25-I28 PolarHBondContact O-N 3.46Å; A25-A29 WeakPolarHBondContact O-CB 3.38Å; A25-A29 PolarHBondContact O-N 2.92Å |
| 26 | A | 88.6 | Confident | 85.6 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E22 A23 E24 A29 M30 | E22-A26 VanDerWaalsContact O-CB 3.24Å; E22-A26 WeakPolarHBondContact O-CB 3.25Å; E22-A26 PolarHBondContact O-N 2.94Å; A23-A26 PolarHBondContact O-N 3.32Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 3Å; A26-A29 PolarHBondContact O-N 3.39Å; A26-M30 VanDerWaalsContact O-CG 3.28Å; A26-M30 WeakPolarHBondContact O-CG 3.08Å; A26-M30 PolarHBondContact O-N 3.48Å |
| 27 | L | 88.8 | Confident | 86.2 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 174.7 | -78.3 | 173.5 | 0 | 0 | 0 | 111.4 | C8 L9 T12 A23 E24 A29 M30 E31 F36 | C8-L27 HydrophobicContact CB-CD2 3.99Å; C8-L27 HydrophobicContact CB-CG 4.04Å; L9-L27 HydrophobicContact CD2-CD1 4.05Å; L9-L27 HydrophobicContact CD2-CD2 4.17Å; L9-L27 HydrophobicContact CG-CD2 4.45Å; T12-L27 HydrophobicContact CG2-CD1 3.4Å; A23-L27 WeakPolarHBondContact O-CB 3.39Å; A23-L27 WeakPolarHBondContact O-CG 3.46Å; A23-L27 PolarHBondContact O-N 3.49Å; E24-L27 PolarHBondContact O-N 3.42Å; L27-A29 VanDerWaalsContact C-N 3.3Å; L27-A29 PolarHBondContact O-N 3.01Å; L27-M30 CarbonylContact O-C 2.94Å; L27-M30 WeakPolarHBondContact O-CA 3.41Å; L27-M30 WeakPolarHBondContact O-CB 3.31Å; L27-M30 PolarHBondContact O-N 3.31Å; L27-E31 WeakPolarHBondContact O-CG 3.47Å; L27-E31 PolarHBondContact O-N 3.15Å; L27-F36 HydrophobicContact CD2-CE2 4.37Å |
| 28 | I | 85.1 | Confident | 86.9 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 46% | 0.456 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.6 | -68.8 | 164.6 | 0 | 0 | 0 | 110.7 | E24 A25 M30 E31 | E24-I28 VanDerWaalsContact O-CG1 3.26Å; E24-I28 WeakPolarHBondContact O-CG1 3.32Å; E24-I28 PolarHBondContact O-N 3.16Å; A25-I28 PolarHBondContact O-N 3.46Å; I28-M30 VanDerWaalsContact C-N 3.32Å; I28-M30 PolarHBondContact O-N 2.83Å; I28-E31 WeakPolarHBondContact O-CB 3.48Å; I28-E31 PolarHBondContact O-N 3.24Å |
| 29 | A | 86.8 | Confident | 87.4 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A25 A26 L27 S32 | A25-A29 WeakPolarHBondContact O-CB 3.38Å; A25-A29 PolarHBondContact O-N 2.92Å; A26-A29 PolarHBondContact O-N 3.39Å; L27-A29 VanDerWaalsContact C-N 3.3Å; L27-A29 PolarHBondContact O-N 3.01Å; A29-S32 PolarHBondContact O-OG 3.37Å |
| 30 | M | 89.1 | Confident | 87.9 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.4 | -27.2 | 176.1 | -69.6 | -176.6 | -158.4 | 0 | 0 | 113.6 | T4 V5 C8 A26 L27 I28 S32 K33 F36 | T4-M30 HydrophobicContact CG2-CE 3.76Å; V5-M30 HydrophobicContact CG2-SD 3.99Å; C8-M30 HydrophobicContact CB-CE 4.44Å; C8-M30 WeakPolarHBondContact SG-CE 3.3Å; A26-M30 VanDerWaalsContact O-CG 3.28Å; A26-M30 WeakPolarHBondContact O-CG 3.08Å; A26-M30 PolarHBondContact O-N 3.48Å; L27-M30 CarbonylContact O-C 2.94Å; L27-M30 WeakPolarHBondContact O-CA 3.41Å; L27-M30 WeakPolarHBondContact O-CB 3.31Å; L27-M30 PolarHBondContact O-N 3.31Å; I28-M30 VanDerWaalsContact C-N 3.32Å; I28-M30 PolarHBondContact O-N 2.83Å; M30-S32 PolarHBondContact O-N 3.15Å; M30-S32 VanDerWaalsContact O-N 3.12Å; M30-K33 WeakPolarHBondContact O-CB 3.49Å; M30-K33 PolarHBondContact O-N 3.18Å; M30-F36 HydrophobicContact CB-CD2 3.95Å; M30-F36 HydrophobicContact CB-CE2 4.1Å; M30-F36 WeakPolarHBondContact O-CD2 3.43Å |
| 31 | E | 86.7 | Confident | 88.4 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -51.4 | -39.6 | 177.6 | -75.2 | 177.9 | -166.4 | 0 | 0 | 109.6 | L27 I28 K33 F36 C64 K67 R68 | L27-E31 WeakPolarHBondContact O-CG 3.47Å; L27-E31 PolarHBondContact O-N 3.15Å; I28-E31 WeakPolarHBondContact O-CB 3.48Å; I28-E31 PolarHBondContact O-N 3.24Å; E31-K33 PolarHBondContact O-N 3.26Å; E31-K33 VanDerWaalsContact O-N 3.13Å; E31-F36 HydrophobicContact CG-CD1 4.46Å; E31-F36 HydrophobicContact CG-CE1 3.94Å; E31-F36 HydrophobicContact CG-CE2 4.31Å; E31-F36 HydrophobicContact CG-CZ 3.85Å; E31-C64 HydrophobicContact CG-CB 4.34Å; E31-K67 IonicContact OE1-NZ 3.42Å; E31-K67 PolarHBondContact OE1-NZ 2.96Å; E31-K67 IonicContact OE2-NZ 2.72Å; E31-R68 PolarHBondContact O-NH1 3.01Å |
| 32 | S | 82.8 | Confident | 88.9 | Confident | 87 Ų | 87 | 49.4 Ų | 49.4 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.1 | -179.6 | 70.8 | 0 | 0 | 0 | 0 | 115.3 | A29 M30 | A29-S32 PolarHBondContact O-OG 3.37Å; M30-S32 PolarHBondContact O-N 3.15Å; M30-S32 VanDerWaalsContact O-N 3.12Å |
| 33 | K | 87 | Confident | 89.2 | Confident | 96 Ų | 96 | 42.7 Ų | 42.7 | 42% | 0.417 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -73.4 | 141.4 | -178.8 | -61.5 | -179.5 | 178.1 | 178 | 0 | 111.4 | M30 E31 D35 F36 | M30-K33 WeakPolarHBondContact O-CB 3.49Å; M30-K33 PolarHBondContact O-N 3.18Å; E31-K33 PolarHBondContact O-N 3.26Å; E31-K33 VanDerWaalsContact O-N 3.13Å; K33-D35 VanDerWaalsContact CB-OD1 3.27Å; K33-D35 WeakPolarHBondContact CB-OD1 3.2Å; K33-D35 PolarHBondContact O-N 3Å; K33-F36 WeakPolarHBondContact O-CB 3.45Å; K33-F36 PolarHBondContact O-N 3.29Å |
| 34 | P | 82 | Confident | 89.5 | Confident | 104 Ų | 104 | 42.6 Ų | 42.6 | 68% | 0.675 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.3 | -176.3 | 25.8 | -34.3 | 0 | 0 | 0 | 113.9 | ||
| 35 | D | 89.1 | Confident | 89.8 | Confident | 86 Ų | 86 | 40.1 Ų | 40.1 | 46% | 0.46 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.7 | -178.3 | 62.4 | -22.5 | 0 | 0 | 0 | 114 | K33 V37 S38 A39 | K33-D35 VanDerWaalsContact CB-OD1 3.27Å; K33-D35 WeakPolarHBondContact CB-OD1 3.2Å; K33-D35 PolarHBondContact O-N 3Å; D35-V37 VanDerWaalsContact C-N 3.35Å; D35-V37 PolarHBondContact O-N 2.7Å; D35-S38 PolarHBondContact O-N 3.42Å; D35-S38 PolarHBondContact O-OG 3.01Å; D35-A39 PolarHBondContact O-N 3.5Å |
| 36 | F | 91.8 | Very high | 90 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.4 | -47.5 | -174.5 | -177.9 | -96.5 | 0 | 0 | 0 | 113.2 | L27 M30 E31 K33 S38 A39 M40 A60 C64 | L27-F36 HydrophobicContact CD2-CE2 4.37Å; M30-F36 HydrophobicContact CB-CD2 3.95Å; M30-F36 HydrophobicContact CB-CE2 4.1Å; M30-F36 WeakPolarHBondContact O-CD2 3.43Å; E31-F36 HydrophobicContact CG-CD1 4.46Å; E31-F36 HydrophobicContact CG-CE1 3.94Å; E31-F36 HydrophobicContact CG-CE2 4.31Å; E31-F36 HydrophobicContact CG-CZ 3.85Å; K33-F36 WeakPolarHBondContact O-CB 3.45Å; K33-F36 PolarHBondContact O-N 3.29Å; F36-S38 VanDerWaalsContact C-N 3.33Å; F36-S38 PolarHBondContact O-N 3.23Å; F36-A39 WeakPolarHBondContact O-CB 3.47Å; F36-A39 PolarHBondContact O-N 2.98Å; F36-M40 HydrophobicContact CD1-CG 4.13Å; F36-M40 HydrophobicContact CD2-CE 4.5Å; F36-M40 HydrophobicContact CE1-CG 3.72Å; F36-M40 HydrophobicContact CE1-SD 4.34Å; F36-M40 HydrophobicContact CE2-CE 4.02Å; F36-M40 HydrophobicContact CE2-CG 4.49Å; F36-M40 HydrophobicContact CE2-SD 4.39Å; F36-M40 HydrophobicContact CZ-CE 4.19Å; F36-M40 HydrophobicContact CZ-CG 3.94Å; F36-M40 HydrophobicContact CZ-SD 3.96Å; F36-M40 WeakPolarHBondContact O-CG 3.41Å; F36-M40 PolarHBondContact O-N 2.99Å; F36-A60 HydrophobicContact CZ-CB 4.39Å; F36-C64 HydrophobicContact CD1-CB 4.25Å; F36-C64 HydrophobicContact CE1-CB 3.78Å |
| 37 | V | 94 | Very high | 89.8 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 179 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | D35 A39 M40 I41 L61 L80 A84 F87 L88 | D35-V37 VanDerWaalsContact C-N 3.35Å; D35-V37 PolarHBondContact O-N 2.7Å; V37-A39 VanDerWaalsContact C-N 3.35Å; V37-M40 PolarHBondContact O-N 3.48Å; V37-I41 PolarHBondContact O-N 3.17Å; V37-I41 VanDerWaalsContact O-N 3.12Å; V37-L61 HydrophobicContact CG1-CD1 4.05Å; V37-L80 HydrophobicContact CG2-CD1 4.33Å; V37-L80 HydrophobicContact CG2-CD2 4.05Å; V37-A84 HydrophobicContact CB-CB 4.49Å; V37-A84 HydrophobicContact CG2-CB 4.33Å; V37-F87 HydrophobicContact CG1-CD1 4.23Å; V37-L88 HydrophobicContact CG1-CB 3.88Å; V37-L88 HydrophobicContact CG1-CD1 4.01Å; V37-L88 HydrophobicContact CG1-CD2 4.22Å; V37-L88 HydrophobicContact CG1-CG 4.26Å |
| 38 | S | 93.4 | Very high | 89.8 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 178.2 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | D35 F36 S42 F87 | D35-S38 PolarHBondContact O-N 3.42Å; D35-S38 PolarHBondContact O-OG 3.01Å; F36-S38 VanDerWaalsContact C-N 3.33Å; F36-S38 PolarHBondContact O-N 3.23Å; S38-S42 WeakPolarHBondContact O-CB 3.33Å; S38-S42 PolarHBondContact O-N 3.41Å; S38-S42 PolarHBondContact O-OG 3.27Å; S38-F87 VanDerWaalsContact CA-CE1 3.47Å |
| 39 | A | 93.1 | Very high | 90 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D35 F36 V37 S42 V43 | D35-A39 PolarHBondContact O-N 3.5Å; F36-A39 WeakPolarHBondContact O-CB 3.47Å; F36-A39 PolarHBondContact O-N 2.98Å; V37-A39 VanDerWaalsContact C-N 3.35Å; A39-S42 PolarHBondContact O-N 2.98Å; A39-V43 WeakPolarHBondContact O-CG2 3.35Å; A39-V43 PolarHBondContact O-N 3.3Å |
| 40 | M | 95.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -48.5 | 177.7 | -66.9 | -59.2 | 99.9 | 0 | 0 | 112 | V5 L9 F36 V37 S42 V43 V44 A57 A60 L61 | V5-M40 HydrophobicContact CG1-CE 3.21Å; L9-M40 HydrophobicContact CD1-CE 4.29Å; L9-M40 HydrophobicContact CD2-SD 4.46Å; F36-M40 HydrophobicContact CD1-CG 4.13Å; F36-M40 HydrophobicContact CD2-CE 4.5Å; F36-M40 HydrophobicContact CE1-CG 3.72Å; F36-M40 HydrophobicContact CE1-SD 4.34Å; F36-M40 HydrophobicContact CE2-CE 4.02Å; F36-M40 HydrophobicContact CE2-CG 4.49Å; F36-M40 HydrophobicContact CE2-SD 4.39Å; F36-M40 HydrophobicContact CZ-CE 4.19Å; F36-M40 HydrophobicContact CZ-CG 3.94Å; F36-M40 HydrophobicContact CZ-SD 3.96Å; F36-M40 WeakPolarHBondContact O-CG 3.41Å; F36-M40 PolarHBondContact O-N 2.99Å; V37-M40 PolarHBondContact O-N 3.48Å; M40-S42 VanDerWaalsContact C-N 3.3Å; M40-S42 PolarHBondContact O-N 3.23Å; M40-V43 PolarHBondContact O-N 2.95Å; M40-V44 WeakPolarHBondContact O-CG2 3.29Å; M40-V44 PolarHBondContact O-N 3.29Å; M40-A57 HydrophobicContact SD-CB 4.1Å; M40-A60 HydrophobicContact SD-CB 3.74Å; M40-L61 HydrophobicContact CB-CB 4Å; M40-L61 HydrophobicContact CB-CD1 4.35Å; M40-L61 HydrophobicContact CG-CB 4.28Å |
| 41 | I | 94.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 177.2 | -70.6 | -67.6 | 0 | 0 | 0 | 111.3 | V37 V43 V44 C45 L61 F87 L88 A95 | V37-I41 PolarHBondContact O-N 3.17Å; V37-I41 VanDerWaalsContact O-N 3.12Å; I41-V43 VanDerWaalsContact C-N 3.33Å; I41-V43 PolarHBondContact O-N 3.08Å; I41-V44 PolarHBondContact O-N 3.33Å; I41-C45 PolarHBondContact O-N 3.47Å; I41-C45 PolarHBondContact O-SG 3.22Å; I41-L61 HydrophobicContact CD1-CD2 3.62Å; I41-L61 HydrophobicContact CG1-CD2 4.18Å; I41-F87 HydrophobicContact CB-CE1 4.06Å; I41-F87 HydrophobicContact CB-CZ 4.4Å; I41-F87 HydrophobicContact CG1-CE1 4.11Å; I41-F87 HydrophobicContact CG2-CE1 4.26Å; I41-F87 HydrophobicContact CG2-CZ 4.22Å; I41-L88 HydrophobicContact CD1-CD1 3.77Å; I41-L88 HydrophobicContact CG1-CD1 3.92Å; I41-A95 HydrophobicContact CD1-CB 4.18Å |
| 42 | S | 93 | Very high | 90.4 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 177.4 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | M1 S38 A39 M40 C46 | M1-S42 WeakPolarHBondContact CE-O 3.49Å; S38-S42 WeakPolarHBondContact O-CB 3.33Å; S38-S42 PolarHBondContact O-N 3.41Å; S38-S42 PolarHBondContact O-OG 3.27Å; A39-S42 PolarHBondContact O-N 2.98Å; M40-S42 VanDerWaalsContact C-N 3.3Å; M40-S42 PolarHBondContact O-N 3.23Å; S42-C46 WeakPolarHBondContact O-CB 3.42Å; S42-C46 PolarHBondContact O-N 3.05Å |
| 43 | V | 93.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.3 | -45 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | M1 I6 L9 A39 M40 I41 C45 C46 L49 I53 A57 | M1-V43 HydrophobicContact SD-CG2 4.02Å; I6-V43 HydrophobicContact CG1-CG2 4.36Å; L9-V43 HydrophobicContact CD1-CG1 3.96Å; A39-V43 WeakPolarHBondContact O-CG2 3.35Å; A39-V43 PolarHBondContact O-N 3.3Å; M40-V43 PolarHBondContact O-N 2.95Å; I41-V43 VanDerWaalsContact C-N 3.33Å; I41-V43 PolarHBondContact O-N 3.08Å; V43-C45 VanDerWaalsContact C-N 3.34Å; V43-C45 PolarHBondContact O-N 2.88Å; V43-C46 WeakPolarHBondContact O-CB 3.35Å; V43-C46 PolarHBondContact O-N 2.9Å; V43-L49 HydrophobicContact CB-CD1 4.34Å; V43-L49 HydrophobicContact CG1-CD1 3.75Å; V43-L49 HydrophobicContact CG2-CD1 4.46Å; V43-I53 HydrophobicContact CG1-CG2 4.01Å; V43-A57 HydrophobicContact CB-CB 3.94Å; V43-A57 HydrophobicContact CG1-CB 3.51Å |
| 44 | V | 93 | Very high | 91.1 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | M40 I41 C46 A57 A58 A95 L107 | M40-V44 WeakPolarHBondContact O-CG2 3.29Å; M40-V44 PolarHBondContact O-N 3.29Å; I41-V44 PolarHBondContact O-N 3.33Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 2.98Å; V44-A57 HydrophobicContact CG2-CB 3.82Å; V44-A58 HydrophobicContact CG2-CB 4.19Å; V44-A95 HydrophobicContact CG1-CB 4.14Å; V44-L107 HydrophobicContact CG1-CD1 3.99Å |
| 45 | C | 91.5 | Very high | 91.6 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 30% | 0.297 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -5.6 | -178 | -56.5 | 0 | 0 | 0 | 0 | 113.9 | I41 V43 A47 A95 | I41-C45 PolarHBondContact O-N 3.47Å; I41-C45 PolarHBondContact O-SG 3.22Å; V43-C45 VanDerWaalsContact C-N 3.34Å; V43-C45 PolarHBondContact O-N 2.88Å; C45-A47 PolarHBondContact O-N 3.29Å; C45-A95 VanDerWaalsContact SG-CB 3.52Å |
| 46 | C | 90.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 14% | 0.142 | 24% | 0.241 | C | C | . | . | trans | -74.7 | 114.9 | -176.7 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | M1 S42 V43 V44 E48 L49 K54 | M1-C46 HydrophobicContact CE-CB 3.6Å; M1-C46 HydrophobicContact SD-CB 4.27Å; S42-C46 WeakPolarHBondContact O-CB 3.42Å; S42-C46 PolarHBondContact O-N 3.05Å; V43-C46 WeakPolarHBondContact O-CB 3.35Å; V43-C46 PolarHBondContact O-N 2.9Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 2.98Å; C46-E48 VanDerWaalsContact C-N 3.31Å; C46-E48 PolarHBondContact O-N 3.36Å; C46-L49 HydrophobicContact CB-CB 4.44Å; C46-L49 HydrophobicContact CB-CD1 3.8Å; C46-L49 HydrophobicContact CB-CG 3.97Å; C46-K54 WeakPolarHBondContact O-CE 3.31Å; C46-K54 PolarHBondContact O-NZ 3.25Å | ||
| 47 | A | 85.7 | Confident | 91.8 | Very high | 89 Ų | 89 | 41.2 Ų | 41.2 | 74% | 0.736 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -38 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | C45 L49 K54 | C45-A47 PolarHBondContact O-N 3.29Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.46Å; A47-K54 PolarHBondContact O-NZ 3.34Å |
| 48 | E | 88.5 | Confident | 91.8 | Very high | 188 Ų | 188 | 41.1 Ų | 41.1 | 88% | 0.879 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.5 | -171.5 | -60.5 | -179.8 | 172.8 | 0 | 0 | 114.8 | C46 | C46-E48 VanDerWaalsContact C-N 3.31Å; C46-E48 PolarHBondContact O-N 3.36Å |
| 49 | L | 89.8 | Confident | 91.8 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -82 | 151.7 | -178.6 | -67.5 | 177.9 | 0 | 0 | 0 | 112.4 | M1 I6 V43 C46 A47 I53 K54 | M1-L49 HydrophobicContact SD-CD1 4.19Å; I6-L49 HydrophobicContact CD1-CD1 4.3Å; I6-L49 HydrophobicContact CD1-CD2 4.18Å; V43-L49 HydrophobicContact CB-CD1 4.34Å; V43-L49 HydrophobicContact CG1-CD1 3.75Å; V43-L49 HydrophobicContact CG2-CD1 4.46Å; C46-L49 HydrophobicContact CB-CB 4.44Å; C46-L49 HydrophobicContact CB-CD1 3.8Å; C46-L49 HydrophobicContact CB-CG 3.97Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.46Å; L49-I53 HydrophobicContact CD1-CG2 4.46Å; L49-K54 HydrophobicContact CB-CG 4.4Å; L49-K54 WeakPolarHBondContact O-CE 3.32Å; L49-K54 PolarHBondContact O-NZ 3.46Å |
| 50 | A | 90 | Very high | 91.8 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 39% | 0.388 | 24% | 0.236 | S | C | . | . | trans | -62 | 145 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E52 I53 K54 | A50-E52 WeakPolarHBondContact CB-OE2 3.43Å; A50-E52 PolarHBondContact O-N 2.82Å; A50-I53 HydrophobicContact CB-CD1 4.03Å; A50-I53 HydrophobicContact CB-CG1 4.25Å; A50-I53 PolarHBondContact O-N 3.27Å; A50-I53 VanDerWaalsContact O-N 3.12Å; A50-K54 PolarHBondContact O-N 3.12Å | ||
| 51 | K | 89.8 | Confident | 91.8 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.4 | -39 | -176.3 | 172.6 | 176.3 | 166.4 | 145.9 | 0 | 112 | I53 K54 V55 D100 | K51-I53 VanDerWaalsContact C-N 3.31Å; K51-I53 PolarHBondContact O-N 2.97Å; K51-K54 PolarHBondContact O-N 3.48Å; K51-V55 WeakPolarHBondContact O-CG2 3.28Å; K51-V55 PolarHBondContact O-N 3.36Å; K51-D100 WeakPolarHBondContact CD-OD2 3.36Å; K51-D100 WeakPolarHBondContact CE-OD2 3.31Å; K51-D100 WeakPolarHBondContact CG-OD2 3.22Å; K51-D100 IonicContact NZ-OD2 2.89Å; K51-D100 PolarHBondContact NZ-OD2 3Å |
| 52 | E | 90 | Very high | 91.8 | Very high | 112 Ų | 112 | 42.4 Ų | 42.4 | 52% | 0.523 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -40 | -178.5 | -56.9 | 71 | -152.2 | 0 | 0 | 110.9 | M13 A50 V55 A56 | M13-E52 HydrophobicContact CE-CB 4.21Å; M13-E52 HydrophobicContact SD-CB 3.73Å; A50-E52 WeakPolarHBondContact CB-OE2 3.43Å; A50-E52 PolarHBondContact O-N 2.82Å; E52-V55 PolarHBondContact O-N 3.34Å; E52-A56 WeakPolarHBondContact O-CB 3.44Å; E52-A56 PolarHBondContact O-N 2.94Å |
| 53 | I | 91.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | 177.8 | -57.2 | 171.4 | 0 | 0 | 0 | 110.7 | I6 L9 Q10 M13 V43 L49 A50 K51 A56 A57 | I6-I53 HydrophobicContact CG2-CD1 4.42Å; I6-I53 HydrophobicContact CG2-CG2 4.45Å; L9-I53 HydrophobicContact CB-CG2 4.31Å; L9-I53 HydrophobicContact CD1-CG2 4.28Å; Q10-I53 HydrophobicContact CG-CD1 3.75Å; Q10-I53 HydrophobicContact CG-CG1 3.95Å; Q10-I53 VanDerWaalsContact NE2-CD1 3.34Å; M13-I53 HydrophobicContact CE-CG1 3.94Å; V43-I53 HydrophobicContact CG1-CG2 4.01Å; L49-I53 HydrophobicContact CD1-CG2 4.46Å; A50-I53 HydrophobicContact CB-CD1 4.03Å; A50-I53 HydrophobicContact CB-CG1 4.25Å; A50-I53 PolarHBondContact O-N 3.27Å; A50-I53 VanDerWaalsContact O-N 3.12Å; K51-I53 VanDerWaalsContact C-N 3.31Å; K51-I53 PolarHBondContact O-N 2.97Å; I53-A56 PolarHBondContact O-N 3.17Å; I53-A57 PolarHBondContact O-N 3.48Å |
| 54 | K | 93.5 | Very high | 91.7 | Very high | 53 Ų | 53 | 41.6 Ų | 41.6 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 176.5 | -57.6 | -176.6 | -157.5 | -167.6 | 0 | 111.2 | C46 A47 L49 A50 K51 A57 A58 | C46-K54 WeakPolarHBondContact O-CE 3.31Å; C46-K54 PolarHBondContact O-NZ 3.25Å; A47-K54 PolarHBondContact O-NZ 3.34Å; L49-K54 HydrophobicContact CB-CG 4.4Å; L49-K54 WeakPolarHBondContact O-CE 3.32Å; L49-K54 PolarHBondContact O-NZ 3.46Å; A50-K54 PolarHBondContact O-N 3.12Å; K51-K54 PolarHBondContact O-N 3.48Å; K54-A57 PolarHBondContact O-N 3.31Å; K54-A58 PolarHBondContact O-N 3.33Å |
| 55 | V | 91.7 | Very high | 91.7 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 14% | 0.139 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | K51 E52 A57 A58 I59 V102 | K51-V55 WeakPolarHBondContact O-CG2 3.28Å; K51-V55 PolarHBondContact O-N 3.36Å; E52-V55 PolarHBondContact O-N 3.34Å; V55-A57 VanDerWaalsContact C-N 3.31Å; V55-A57 PolarHBondContact O-N 3.3Å; V55-A58 PolarHBondContact O-N 3.44Å; V55-A58 VanDerWaalsContact O-N 3.16Å; V55-I59 HydrophobicContact CG1-CD1 3.87Å; V55-I59 HydrophobicContact CG1-CG1 4.45Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 3.04Å; V55-V102 HydrophobicContact CG1-CG1 3.92Å; V55-V102 HydrophobicContact CG2-CB 4.13Å; V55-V102 HydrophobicContact CG2-CG1 3.78Å |
| 56 | A | 91.9 | Very high | 91.6 | Very high | 11 Ų | 11 | 43 Ų | 43 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.6 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L9 M13 E52 I53 I59 A60 | L9-A56 HydrophobicContact CB-CB 4.38Å; L9-A56 HydrophobicContact CD2-CB 4.11Å; M13-A56 HydrophobicContact SD-CB 4.2Å; E52-A56 WeakPolarHBondContact O-CB 3.44Å; E52-A56 PolarHBondContact O-N 2.94Å; I53-A56 PolarHBondContact O-N 3.17Å; A56-I59 PolarHBondContact O-N 3.39Å; A56-A60 WeakPolarHBondContact O-CB 3.46Å; A56-A60 PolarHBondContact O-N 3.48Å |
| 57 | A | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L9 M40 V43 V44 I53 K54 V55 I59 A60 L61 | L9-A57 HydrophobicContact CD1-CB 3.82Å; M40-A57 HydrophobicContact SD-CB 4.1Å; V43-A57 HydrophobicContact CB-CB 3.94Å; V43-A57 HydrophobicContact CG1-CB 3.51Å; V44-A57 HydrophobicContact CG2-CB 3.82Å; I53-A57 PolarHBondContact O-N 3.48Å; K54-A57 PolarHBondContact O-N 3.31Å; V55-A57 VanDerWaalsContact C-N 3.31Å; V55-A57 PolarHBondContact O-N 3.3Å; A57-I59 VanDerWaalsContact C-N 3.34Å; A57-I59 PolarHBondContact O-N 2.88Å; A57-A60 PolarHBondContact O-N 2.87Å; A57-L61 WeakPolarHBondContact O-CB 3.13Å; A57-L61 PolarHBondContact O-N 3.09Å |
| 58 | A | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V44 K54 V55 K62 Q106 L107 | V44-A58 HydrophobicContact CG2-CB 4.19Å; K54-A58 PolarHBondContact O-N 3.33Å; V55-A58 PolarHBondContact O-N 3.44Å; V55-A58 VanDerWaalsContact O-N 3.16Å; A58-K62 WeakPolarHBondContact O-CB 3.22Å; A58-K62 PolarHBondContact O-N 2.9Å; A58-Q106 HydrophobicContact CB-CB 3.8Å; A58-L107 HydrophobicContact CB-CD2 4.26Å; A58-L107 HydrophobicContact CB-CG 4.38Å |
| 59 | I | 92.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 33.8 Ų | 33.8 | 33% | 0.328 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.3 | -45.3 | 175.1 | -66.4 | 165.9 | 0 | 0 | 0 | 111 | V55 A56 A57 L61 K62 N63 Q106 | V55-I59 HydrophobicContact CG1-CD1 3.87Å; V55-I59 HydrophobicContact CG1-CG1 4.45Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 3.04Å; A56-I59 PolarHBondContact O-N 3.39Å; A57-I59 VanDerWaalsContact C-N 3.34Å; A57-I59 PolarHBondContact O-N 2.88Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-L61 PolarHBondContact O-N 2.92Å; I59-K62 WeakPolarHBondContact O-CB 3.48Å; I59-K62 PolarHBondContact O-N 2.92Å; I59-N63 WeakPolarHBondContact O-CB 3.36Å; I59-N63 VanDerWaalsContact O-CG 3.29Å; I59-N63 PolarHBondContact O-N 3.23Å; I59-Q106 HydrophobicContact CG1-CG 4.08Å |
| 60 | A | 92.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 F36 M40 A56 A57 N63 C64 | L9-A60 HydrophobicContact CD2-CB 4.18Å; F36-A60 HydrophobicContact CZ-CB 4.39Å; M40-A60 HydrophobicContact SD-CB 3.74Å; A56-A60 WeakPolarHBondContact O-CB 3.46Å; A56-A60 PolarHBondContact O-N 3.48Å; A57-A60 PolarHBondContact O-N 2.87Å; A60-N63 PolarHBondContact O-N 2.73Å; A60-C64 WeakPolarHBondContact O-CB 3.47Å; A60-C64 PolarHBondContact O-N 3.32Å |
| 61 | L | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -49.6 | 172.6 | 178.2 | 62.8 | 0 | 0 | 0 | 111.5 | V37 M40 I41 A57 I59 N63 C64 V65 L88 L107 T110 | V37-L61 HydrophobicContact CG1-CD1 4.05Å; M40-L61 HydrophobicContact CB-CB 4Å; M40-L61 HydrophobicContact CB-CD1 4.35Å; M40-L61 HydrophobicContact CG-CB 4.28Å; I41-L61 HydrophobicContact CD1-CD2 3.62Å; I41-L61 HydrophobicContact CG1-CD2 4.18Å; A57-L61 WeakPolarHBondContact O-CB 3.13Å; A57-L61 PolarHBondContact O-N 3.09Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-L61 PolarHBondContact O-N 2.92Å; L61-N63 VanDerWaalsContact C-N 3.31Å; L61-N63 PolarHBondContact O-N 3.46Å; L61-C64 PolarHBondContact O-N 2.88Å; L61-V65 HydrophobicContact CD1-CG2 4.18Å; L61-V65 VanDerWaalsContact O-CG2 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.49Å; L61-V65 PolarHBondContact O-N 3.44Å; L61-L88 HydrophobicContact CD1-CD1 4.08Å; L61-L88 HydrophobicContact CD1-CD2 4.21Å; L61-L88 HydrophobicContact CD2-CD1 4.01Å; L61-L107 HydrophobicContact CD2-CD2 4.11Å; L61-T110 HydrophobicContact CG-CG2 4.41Å |
| 62 | K | 94.6 | Very high | 90.1 | Very high | 23 Ų | 23 | 32 Ų | 32 | 10% | 0.1 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.6 | -45.6 | 177.5 | -174.5 | -177.9 | 68.9 | 176.3 | 0 | 111.8 | A58 I59 V65 R66 E109 T110 I113 | A58-K62 WeakPolarHBondContact O-CB 3.22Å; A58-K62 PolarHBondContact O-N 2.9Å; I59-K62 WeakPolarHBondContact O-CB 3.48Å; I59-K62 PolarHBondContact O-N 2.92Å; K62-V65 PolarHBondContact O-N 3.22Å; K62-R66 WeakPolarHBondContact O-CB 3.44Å; K62-R66 PolarHBondContact O-N 3.3Å; K62-E109 HydrophobicContact CD-CB 3.86Å; K62-E109 WeakPolarHBondContact CD-OE2 3.27Å; K62-E109 WeakPolarHBondContact CE-OE2 3.49Å; K62-E109 IonicContact NZ-OE2 2.88Å; K62-E109 PolarHBondContact NZ-OE2 3.46Å; K62-T110 WeakPolarHBondContact CA-OG1 3.34Å; K62-T110 VanDerWaalsContact CB-OG1 3.31Å; K62-T110 WeakPolarHBondContact CB-OG1 3.27Å; K62-I113 HydrophobicContact CG-CD1 3.89Å |
| 63 | N | 91 | Very high | 89 | Confident | 40 Ų | 40 | 30.6 Ų | 30.6 | 21% | 0.214 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.6 | -40.8 | -179.6 | -70.1 | -13.9 | 0 | 0 | 0 | 112.1 | I59 A60 L61 R66 K67 | I59-N63 WeakPolarHBondContact O-CB 3.36Å; I59-N63 VanDerWaalsContact O-CG 3.29Å; I59-N63 PolarHBondContact O-N 3.23Å; A60-N63 PolarHBondContact O-N 2.73Å; L61-N63 VanDerWaalsContact C-N 3.31Å; L61-N63 PolarHBondContact O-N 3.46Å; N63-R66 PolarHBondContact O-N 3.2Å; N63-R66 PolarHBondContact OD1-NH1 3.12Å; N63-K67 WeakPolarHBondContact O-CG 3.34Å; N63-K67 PolarHBondContact O-N 3.34Å; N63-K67 VanDerWaalsContact O-N 3.16Å |
| 64 | C | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | E31 F36 A60 L61 K67 R68 | E31-C64 HydrophobicContact CG-CB 4.34Å; F36-C64 HydrophobicContact CD1-CB 4.25Å; F36-C64 HydrophobicContact CE1-CB 3.78Å; A60-C64 WeakPolarHBondContact O-CB 3.47Å; A60-C64 PolarHBondContact O-N 3.32Å; L61-C64 PolarHBondContact O-N 2.88Å; C64-K67 PolarHBondContact O-N 3.25Å; C64-R68 WeakPolarHBondContact O-CB 3.29Å; C64-R68 PolarHBondContact O-N 3.43Å |
| 65 | V | 93.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 177.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L61 K62 K67 R68 W69 L88 T110 I113 I114 | L61-V65 HydrophobicContact CD1-CG2 4.18Å; L61-V65 VanDerWaalsContact O-CG2 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.49Å; L61-V65 PolarHBondContact O-N 3.44Å; K62-V65 PolarHBondContact O-N 3.22Å; V65-K67 VanDerWaalsContact C-N 3.29Å; V65-K67 PolarHBondContact O-N 3.44Å; V65-R68 PolarHBondContact O-N 3.21Å; V65-W69 HydrophobicContact CG1-CB 3.94Å; V65-W69 HydrophobicContact CG1-CD2 4.25Å; V65-W69 HydrophobicContact CG1-CE3 3.99Å; V65-W69 HydrophobicContact CG1-CG 4.26Å; V65-W69 HydrophobicContact CG2-CE3 4.37Å; V65-W69 WeakPolarHBondContact O-CA 3.49Å; V65-W69 WeakPolarHBondContact O-CB 3.49Å; V65-W69 PolarHBondContact O-N 3.09Å; V65-L88 HydrophobicContact CG2-CD2 3.55Å; V65-T110 HydrophobicContact CB-CG2 4.18Å; V65-T110 HydrophobicContact CG1-CG2 4.19Å; V65-T110 HydrophobicContact CG2-CG2 3.93Å; V65-I113 HydrophobicContact CG1-CB 4.31Å; V65-I113 HydrophobicContact CG1-CG2 3.82Å; V65-I114 HydrophobicContact CG1-CD1 4.3Å; V65-I114 HydrophobicContact CG1-CG1 3.67Å |
| 66 | R | 89 | Confident | 85.2 | Confident | 79 Ų | 79 | 35.4 Ų | 35.4 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54.7 | -44.1 | 178.2 | -170.6 | 177.9 | -65.8 | 102.3 | -0.4 | 112.7 | K62 N63 I113 | K62-R66 WeakPolarHBondContact O-CB 3.44Å; K62-R66 PolarHBondContact O-N 3.3Å; N63-R66 PolarHBondContact O-N 3.2Å; N63-R66 PolarHBondContact OD1-NH1 3.12Å; R66-I113 HydrophobicContact CB-CD1 4.17Å |
| 67 | K | 86.1 | Confident | 84.4 | Confident | 83 Ų | 83 | 38.8 Ų | 38.8 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -76.7 | -37.4 | -177.7 | -66.1 | 171 | -170.2 | 169.8 | 0 | 113.2 | E31 N63 C64 V65 | E31-K67 IonicContact OE1-NZ 3.42Å; E31-K67 PolarHBondContact OE1-NZ 2.96Å; E31-K67 IonicContact OE2-NZ 2.72Å; N63-K67 WeakPolarHBondContact O-CG 3.34Å; N63-K67 PolarHBondContact O-N 3.34Å; N63-K67 VanDerWaalsContact O-N 3.16Å; C64-K67 PolarHBondContact O-N 3.25Å; V65-K67 VanDerWaalsContact C-N 3.29Å; V65-K67 PolarHBondContact O-N 3.44Å |
| 68 | R | 90.2 | Very high | 83.8 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -120 | -5 | -162.3 | -59.1 | -177.6 | 63.9 | -162.1 | -0.3 | 114.8 | E31 C64 V65 Q77 Q78 P79 L80 | E31-R68 PolarHBondContact O-NH1 3.01Å; C64-R68 WeakPolarHBondContact O-CB 3.29Å; C64-R68 PolarHBondContact O-N 3.43Å; V65-R68 PolarHBondContact O-N 3.21Å; R68-Q77 HydrophobicContact CG-CB 4.35Å; R68-Q78 PolarHBondContact NE-O 3.11Å; R68-Q78 PolarHBondContact NH2-O 3.28Å; R68-P79 WeakPolarHBondContact O-CA 3.25Å; R68-L80 HydrophobicContact CB-CD2 4.23Å; R68-L80 HydrophobicContact CB-CG 3.82Å; R68-L80 PolarHBondContact O-N 2.88Å |
| 69 | W | 92 | Very high | 83.5 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -68.3 | -50.4 | 176.6 | -164.5 | -91.9 | 0 | 0 | 0 | 111.3 | V65 L80 R85 L88 K89 I114 D118 | V65-W69 HydrophobicContact CG1-CB 3.94Å; V65-W69 HydrophobicContact CG1-CD2 4.25Å; V65-W69 HydrophobicContact CG1-CE3 3.99Å; V65-W69 HydrophobicContact CG1-CG 4.26Å; V65-W69 HydrophobicContact CG2-CE3 4.37Å; V65-W69 WeakPolarHBondContact O-CA 3.49Å; V65-W69 WeakPolarHBondContact O-CB 3.49Å; V65-W69 PolarHBondContact O-N 3.09Å; W69-L80 HydrophobicContact CE3-CD1 3.86Å; W69-L80 HydrophobicContact CZ3-CD1 4.29Å; W69-R85 HydrophobicContact CE3-CG 4.17Å; W69-R85 HydrophobicContact CH2-CB 3.64Å; W69-R85 HydrophobicContact CH2-CG 3.7Å; W69-R85 HydrophobicContact CZ2-CB 4.23Å; W69-R85 HydrophobicContact CZ2-CG 4.14Å; W69-R85 HydrophobicContact CZ3-CB 4.03Å; W69-R85 HydrophobicContact CZ3-CG 3.7Å; W69-R85 PolarHBondContact O-NH2 2.96Å; W69-L88 HydrophobicContact CE3-CD2 4.45Å; W69-L88 HydrophobicContact CZ3-CB 4.47Å; W69-L88 HydrophobicContact CZ3-CD2 3.78Å; W69-K89 HydrophobicContact CH2-CG 4.3Å; W69-I114 HydrophobicContact CD2-CG1 3.89Å; W69-I114 HydrophobicContact CD2-CG2 4.48Å; W69-I114 HydrophobicContact CE3-CD1 4.43Å; W69-I114 HydrophobicContact CE3-CG1 3.98Å; W69-I114 HydrophobicContact CH2-CD1 4.16Å; W69-I114 HydrophobicContact CH2-CG1 4.12Å; W69-I114 HydrophobicContact CH2-CG2 4Å; W69-I114 HydrophobicContact CZ2-CB 4.24Å; W69-I114 HydrophobicContact CZ2-CG1 4.05Å; W69-I114 HydrophobicContact CZ2-CG2 3.37Å; W69-I114 HydrophobicContact CZ3-CD1 4.13Å; W69-I114 HydrophobicContact CZ3-CG1 4.1Å; W69-D118 WeakPolarHBondContact CZ2-OD2 3.46Å; W69-D118 PolarHBondContact NE1-OD2 3.2Å |
| 70 | A | 86.1 | Confident | 83.3 | Confident | 43 Ų | 43 | 45.8 Ų | 45.8 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -141.2 | 73.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 71 | P | 78.5 | Confident | 83.3 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 26% | 0.26 | 26% | 0.262 | S | S | . | . | trans | -59 | 143.4 | -176.2 | 24.4 | -32.9 | 0 | 0 | 0 | 111.4 | P79 | P71-P79 HydrophobicContact CG-CB 4.19Š| ||
| 72 | D | 68.9 | Low | 83 | Confident | 61 Ų | 61 | 53 Ų | 53 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | trans | -64.4 | 150.5 | 171.1 | -167.2 | -6.6 | 0 | 0 | 0 | 109.6 | L74 S75 H703 | D72-L74 PolarHBondContact O-N 3.35Å; D72-S75 WeakPolarHBondContact O-CB 3.33Å; D72-S75 PolarHBondContact O-N 2.94Å; D72-H703 IonicContact OD2-CE1 2.66Å; D72-H703 PolarHBondContact OD2-CE1 3.25Å; D72-H703 IonicContact OD2-NE2 3.66Å | ||
| 73 | S | 66.8 | Low | 82.9 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -20.5 | 170.7 | 57 | 0 | 0 | 0 | 0 | 115.4 | ||
| 74 | L | 60.4 | Low | 82.9 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.4 | 176.7 | -70.6 | 172.6 | 0 | 0 | 0 | 114 | D72 R739 S743 R746 | D72-L74 PolarHBondContact O-N 3.35Å; L74-R739 HydrophobicContact CD2-CG 3.63Å; L74-S743 WeakPolarHBondContact CD1-OG 3.14Å; L74-R746 HydrophobicContact CD1-CG 3.78Å |
| 75 | S | 67.5 | Low | 83 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 33% | 0.329 | 32% | 0.316 | S | S | . | . | trans | -83.3 | 132.3 | -176.1 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | D72 Q77 | D72-S75 WeakPolarHBondContact O-CB 3.33Å; D72-S75 PolarHBondContact O-N 2.94Å; S75-Q77 PolarHBondContact O-N 2.97Å; S75-Q77 WeakPolarHBondContact OG-CB 3.48Å; S75-Q77 WeakPolarHBondContact OG-CG 3.39Å; S75-Q77 PolarHBondContact OG-N 3.13Å | ||
| 76 | D | 69.8 | Low | 83 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | trans | -74 | -2.7 | 170.1 | -72.2 | -25.3 | 0 | 0 | 0 | 112.5 | ||||
| 77 | Q | 74.8 | Confident | 83.3 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 128.6 | -177.6 | -65.2 | -69.7 | -30.1 | 0 | 0 | 112 | R68 S75 | R68-Q77 HydrophobicContact CG-CB 4.35Å; S75-Q77 PolarHBondContact O-N 2.97Å; S75-Q77 WeakPolarHBondContact OG-CB 3.48Å; S75-Q77 WeakPolarHBondContact OG-CG 3.39Å; S75-Q77 PolarHBondContact OG-N 3.13Å |
| 78 | Q | 82.5 | Confident | 83.8 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 136.1 | 173.2 | -64.4 | -60.2 | -53.9 | 0 | 0 | 110.4 | R68 | R68-Q78 PolarHBondContact NE-O 3.11Å; R68-Q78 PolarHBondContact NH2-O 3.28Å |
| 79 | P | 86.9 | Confident | 84 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -59 | 155.1 | 175.1 | 25.4 | -33.2 | 0 | 0 | 0 | 111.2 | R68 P71 | R68-P79 WeakPolarHBondContact O-CA 3.25Å; P71-P79 HydrophobicContact CG-CB 4.19Å |
| 80 | L | 90.3 | Very high | 84.1 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 144.6 | 170 | -69.9 | 173.7 | 0 | 0 | 0 | 110.4 | V37 R68 W69 R85 | V37-L80 HydrophobicContact CG2-CD1 4.33Å; V37-L80 HydrophobicContact CG2-CD2 4.05Å; R68-L80 HydrophobicContact CB-CD2 4.23Å; R68-L80 HydrophobicContact CB-CG 3.82Å; R68-L80 PolarHBondContact O-N 2.88Å; W69-L80 HydrophobicContact CE3-CD1 3.86Å; W69-L80 HydrophobicContact CZ3-CD1 4.29Å; L80-R85 HydrophobicContact CB-CG 4.09Å |
| 81 | T | 91.3 | Very high | 84.5 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 153.5 | 175.5 | 73.7 | 0 | 0 | 0 | 0 | 110.4 | E83 A84 R85 | T81-E83 VanDerWaalsContact CB-OE2 3.23Å; T81-E83 WeakPolarHBondContact CB-OE2 3.47Å; T81-E83 PolarHBondContact O-N 3.37Å; T81-E83 PolarHBondContact OG1-OE2 2.87Å; T81-E83 VanDerWaalsContact OG1-OE2 3.09Å; T81-A84 PolarHBondContact O-N 3.43Å; T81-A84 VanDerWaalsContact O-N 3.15Å; T81-A84 PolarHBondContact OG1-N 3.45Å; T81-R85 WeakPolarHBondContact O-CG 3.27Å; T81-R85 PolarHBondContact O-N 3.4Å |
| 82 | D | 89.9 | Confident | 85.3 | Confident | 100 Ų | 100 | 62.6 Ų | 62.6 | 54% | 0.535 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -32.5 | -179 | -69.6 | -29.3 | 0 | 0 | 0 | 111.5 | R85 I86 | D82-R85 PolarHBondContact O-N 3.28Å; D82-R85 IonicContact OD1-NH1 3.88Å; D82-R85 PolarHBondContact OD1-NH1 3.1Å; D82-I86 WeakPolarHBondContact O-CB 3.32Å; D82-I86 WeakPolarHBondContact O-CD1 3.46Å; D82-I86 VanDerWaalsContact O-CG1 3.24Å; D82-I86 WeakPolarHBondContact O-CG1 3.44Å; D82-I86 PolarHBondContact O-N 2.73Å |
| 83 | E | 92.1 | Very high | 86.4 | Confident | 136 Ų | 136 | 60.5 Ų | 60.5 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 173.9 | -57.6 | 77.1 | -164.4 | 0 | 0 | 111.8 | T81 R85 I86 F87 | T81-E83 VanDerWaalsContact CB-OE2 3.23Å; T81-E83 WeakPolarHBondContact CB-OE2 3.47Å; T81-E83 PolarHBondContact O-N 3.37Å; T81-E83 PolarHBondContact OG1-OE2 2.87Å; T81-E83 VanDerWaalsContact OG1-OE2 3.09Å; E83-R85 VanDerWaalsContact C-N 3.34Å; E83-R85 PolarHBondContact O-N 3.04Å; E83-I86 PolarHBondContact O-N 3.12Å; E83-F87 WeakPolarHBondContact O-CB 3.37Å; E83-F87 PolarHBondContact O-N 3.33Å |
| 84 | A | 92.4 | Very high | 87.6 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 8% | 0.083 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V37 T81 L88 | V37-A84 HydrophobicContact CB-CB 4.49Å; V37-A84 HydrophobicContact CG2-CB 4.33Å; T81-A84 PolarHBondContact O-N 3.43Å; T81-A84 VanDerWaalsContact O-N 3.15Å; T81-A84 PolarHBondContact OG1-N 3.45Å; A84-L88 WeakPolarHBondContact O-CB 3.42Å; A84-L88 PolarHBondContact O-N 2.98Å |
| 85 | R | 94.4 | Very high | 89.1 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 21% | 0.211 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 175.4 | -70.2 | 177.1 | 169.7 | 157.2 | -2.8 | 112 | W69 L80 T81 D82 E83 L88 K89 | W69-R85 HydrophobicContact CE3-CG 4.17Å; W69-R85 HydrophobicContact CH2-CB 3.64Å; W69-R85 HydrophobicContact CH2-CG 3.7Å; W69-R85 HydrophobicContact CZ2-CB 4.23Å; W69-R85 HydrophobicContact CZ2-CG 4.14Å; W69-R85 HydrophobicContact CZ3-CB 4.03Å; W69-R85 HydrophobicContact CZ3-CG 3.7Å; W69-R85 PolarHBondContact O-NH2 2.96Å; L80-R85 HydrophobicContact CB-CG 4.09Å; T81-R85 WeakPolarHBondContact O-CG 3.27Å; T81-R85 PolarHBondContact O-N 3.4Å; D82-R85 PolarHBondContact O-N 3.28Å; D82-R85 IonicContact OD1-NH1 3.88Å; D82-R85 PolarHBondContact OD1-NH1 3.1Å; E83-R85 VanDerWaalsContact C-N 3.34Å; E83-R85 PolarHBondContact O-N 3.04Å; R85-L88 PolarHBondContact O-N 3.24Å; R85-K89 WeakPolarHBondContact O-CG 3.41Å; R85-K89 PolarHBondContact O-N 3.13Å; R85-K89 VanDerWaalsContact O-N 3.09Å |
| 86 | I | 93.9 | Very high | 90.4 | Very high | 119 Ų | 119 | 59 Ų | 59 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 178.1 | -68.2 | 164.9 | 0 | 0 | 0 | 110.3 | D82 E83 L88 K89 S90 | D82-I86 WeakPolarHBondContact O-CB 3.32Å; D82-I86 WeakPolarHBondContact O-CD1 3.46Å; D82-I86 VanDerWaalsContact O-CG1 3.24Å; D82-I86 WeakPolarHBondContact O-CG1 3.44Å; D82-I86 PolarHBondContact O-N 2.73Å; E83-I86 PolarHBondContact O-N 3.12Å; I86-L88 VanDerWaalsContact C-N 3.34Å; I86-L88 PolarHBondContact O-N 2.73Å; I86-K89 PolarHBondContact O-N 3.33Å; I86-S90 PolarHBondContact O-N 3.03Å; I86-S90 VanDerWaalsContact O-N 3.09Å; I86-S90 PolarHBondContact O-OG 3.07Å |
| 87 | F | 94.9 | Very high | 91.3 | Very high | 71 Ų | 71 | 56 Ų | 56 | 31% | 0.311 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.7 | -49.3 | 176.3 | 172.8 | -92.5 | 0 | 0 | 0 | 111.3 | V37 S38 I41 E83 K89 S90 S91 | V37-F87 HydrophobicContact CG1-CD1 4.23Å; S38-F87 VanDerWaalsContact CA-CE1 3.47Å; I41-F87 HydrophobicContact CB-CE1 4.06Å; I41-F87 HydrophobicContact CB-CZ 4.4Å; I41-F87 HydrophobicContact CG1-CE1 4.11Å; I41-F87 HydrophobicContact CG2-CE1 4.26Å; I41-F87 HydrophobicContact CG2-CZ 4.22Å; E83-F87 WeakPolarHBondContact O-CB 3.37Å; E83-F87 PolarHBondContact O-N 3.33Å; F87-K89 PolarHBondContact O-N 3.35Å; F87-S90 PolarHBondContact O-N 3.3Å; F87-S90 PolarHBondContact O-OG 2.88Å; F87-S91 PolarHBondContact O-N 3.46Å; F87-S91 VanDerWaalsContact O-N 3.12Å; F87-S91 PolarHBondContact O-OG 3.41Å |
| 88 | L | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | -178.1 | -174.7 | 55.6 | 0 | 0 | 0 | 112 | V37 I41 L61 V65 W69 A84 R85 I86 S90 S91 I92 I114 | V37-L88 HydrophobicContact CG1-CB 3.88Å; V37-L88 HydrophobicContact CG1-CD1 4.01Å; V37-L88 HydrophobicContact CG1-CD2 4.22Å; V37-L88 HydrophobicContact CG1-CG 4.26Å; I41-L88 HydrophobicContact CD1-CD1 3.77Å; I41-L88 HydrophobicContact CG1-CD1 3.92Å; L61-L88 HydrophobicContact CD1-CD1 4.08Å; L61-L88 HydrophobicContact CD1-CD2 4.21Å; L61-L88 HydrophobicContact CD2-CD1 4.01Å; V65-L88 HydrophobicContact CG2-CD2 3.55Å; W69-L88 HydrophobicContact CE3-CD2 4.45Å; W69-L88 HydrophobicContact CZ3-CB 4.47Å; W69-L88 HydrophobicContact CZ3-CD2 3.78Å; A84-L88 WeakPolarHBondContact O-CB 3.42Å; A84-L88 PolarHBondContact O-N 2.98Å; R85-L88 PolarHBondContact O-N 3.24Å; I86-L88 VanDerWaalsContact C-N 3.34Å; I86-L88 PolarHBondContact O-N 2.73Å; L88-S90 PolarHBondContact O-N 3.15Å; L88-S91 PolarHBondContact O-N 2.93Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-I92 HydrophobicContact CD1-CB 4.05Å; L88-I92 HydrophobicContact CD1-CD1 4.12Å; L88-I92 HydrophobicContact CD1-CG1 4.37Å; L88-I92 HydrophobicContact CG-CD1 4.44Å; L88-I92 VanDerWaalsContact O-CB 3.28Å; L88-I92 WeakPolarHBondContact O-CB 3.47Å; L88-I92 WeakPolarHBondContact O-CG2 3.43Å; L88-I92 PolarHBondContact O-N 3.27Å; L88-I114 HydrophobicContact CD2-CD1 3.7Å; L88-I114 HydrophobicContact CG-CD1 4.12Å |
| 89 | K | 95.4 | Very high | 92.3 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.3 | -37.8 | 177.3 | -74.9 | -178.1 | -179 | 175.3 | 0 | 112.8 | W69 R85 I86 F87 D118 K122 W123 | W69-K89 HydrophobicContact CH2-CG 4.3Å; R85-K89 WeakPolarHBondContact O-CG 3.41Å; R85-K89 PolarHBondContact O-N 3.13Å; R85-K89 VanDerWaalsContact O-N 3.09Å; I86-K89 PolarHBondContact O-N 3.33Å; F87-K89 PolarHBondContact O-N 3.35Å; K89-D118 WeakPolarHBondContact CE-OD2 3.25Å; K89-D118 IonicContact NZ-OD2 2.7Å; K89-D118 PolarHBondContact NZ-OD2 2.81Å; K89-K122 PolarHBondContact NZ-O 3.14Å; K89-W123 HydrophobicContact CB-CD2 4.39Å; K89-W123 HydrophobicContact CB-CZ2 3.99Å; K89-W123 HydrophobicContact CD-CB 4.28Å; K89-W123 HydrophobicContact CD-CD2 3.97Å; K89-W123 HydrophobicContact CD-CG 3.8Å; K89-W123 HydrophobicContact CG-CD2 3.84Å; K89-W123 HydrophobicContact CG-CE3 4.33Å; K89-W123 HydrophobicContact CG-CG 4.19Å; K89-W123 HydrophobicContact CG-CH2 4.47Å; K89-W123 HydrophobicContact CG-CZ2 4Å |
| 90 | S | 93 | Very high | 92.3 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 60% | 0.601 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -74.1 | -25.6 | 179.7 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | I86 F87 L88 | I86-S90 PolarHBondContact O-N 3.03Å; I86-S90 VanDerWaalsContact O-N 3.09Å; I86-S90 PolarHBondContact O-OG 3.07Å; F87-S90 PolarHBondContact O-N 3.3Å; F87-S90 PolarHBondContact O-OG 2.88Å; L88-S90 PolarHBondContact O-N 3.15Å |
| 91 | S | 94.5 | Very high | 92 | Very high | 19 Ų | 19 | 55 Ų | 55 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -111.6 | -23.5 | -169 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | F87 L88 L93 Q94 A95 | F87-S91 PolarHBondContact O-N 3.46Å; F87-S91 VanDerWaalsContact O-N 3.12Å; F87-S91 PolarHBondContact O-OG 3.41Å; L88-S91 PolarHBondContact O-N 2.93Å; L88-S91 VanDerWaalsContact O-N 3.15Å; S91-L93 PolarHBondContact O-N 3.15Å; S91-Q94 PolarHBondContact O-N 3.11Å; S91-A95 PolarHBondContact O-N 3.09Å |
| 92 | I | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -36.1 | -170.4 | -166.9 | 167.8 | 0 | 0 | 0 | 113.6 | L88 A95 L96 L107 T110 I111 I114 W123 | L88-I92 HydrophobicContact CD1-CB 4.05Å; L88-I92 HydrophobicContact CD1-CD1 4.12Å; L88-I92 HydrophobicContact CD1-CG1 4.37Å; L88-I92 HydrophobicContact CG-CD1 4.44Å; L88-I92 VanDerWaalsContact O-CB 3.28Å; L88-I92 WeakPolarHBondContact O-CB 3.47Å; L88-I92 WeakPolarHBondContact O-CG2 3.43Å; L88-I92 PolarHBondContact O-N 3.27Å; I92-A95 PolarHBondContact O-N 3.26Å; I92-L96 WeakPolarHBondContact O-CB 3.44Å; I92-L96 PolarHBondContact O-N 2.91Å; I92-L107 HydrophobicContact CG1-CD2 4.34Å; I92-T110 HydrophobicContact CD1-CG2 3.69Å; I92-I111 HydrophobicContact CD1-CG1 3.72Å; I92-I111 HydrophobicContact CG1-CD1 4.43Å; I92-I111 HydrophobicContact CG1-CG1 4.07Å; I92-I111 HydrophobicContact CG2-CD1 4.5Å; I92-I111 HydrophobicContact CG2-CG1 4.17Å; I92-I114 HydrophobicContact CD1-CD1 4.28Å; I92-W123 HydrophobicContact CG2-CH2 3.8Å; I92-W123 HydrophobicContact CG2-CZ2 3.91Å |
| 93 | L | 92.7 | Very high | 91.8 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 178.1 | -71.1 | 173.1 | 0 | 0 | 0 | 111.7 | S91 A95 L96 F97 I111 L126 A129 L130 | S91-L93 PolarHBondContact O-N 3.15Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.35Å; L93-L96 WeakPolarHBondContact O-CB 3.36Å; L93-L96 PolarHBondContact O-N 3.15Å; L93-F97 HydrophobicContact CB-CE2 4.1Å; L93-F97 HydrophobicContact CD2-CZ 4.49Å; L93-F97 WeakPolarHBondContact O-CD2 3.13Å; L93-F97 VanDerWaalsContact O-CG 3.27Å; L93-F97 WeakPolarHBondContact O-CG 3.32Å; L93-F97 PolarHBondContact O-N 3.46Å; L93-I111 HydrophobicContact CD2-CD1 3.78Å; L93-L126 HydrophobicContact CD1-CD1 4.01Å; L93-L126 HydrophobicContact CD2-CD1 3.98Å; L93-L126 HydrophobicContact CG-CD1 4.36Å; L93-A129 HydrophobicContact CD1-CB 3.42Å; L93-A129 VanDerWaalsContact CD1-CB 3.42Å; L93-L130 HydrophobicContact CD2-CD2 4.1Å |
| 94 | Q | 91.5 | Very high | 91.7 | Very high | 115 Ų | 115 | 45 Ų | 45 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 173.7 | -175.5 | -177.9 | 13.8 | 0 | 0 | 110.9 | S91 L96 F97 Q98 | S91-Q94 PolarHBondContact O-N 3.11Å; Q94-L96 VanDerWaalsContact C-N 3.29Å; Q94-L96 PolarHBondContact O-N 3.13Å; Q94-F97 PolarHBondContact O-N 3.09Å; Q94-Q98 WeakPolarHBondContact O-CG 3.28Å; Q94-Q98 PolarHBondContact O-N 3.35Å; Q94-Q98 VanDerWaalsContact O-N 3.09Å |
| 95 | A | 92.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I41 V44 C45 S91 I92 L93 Q98 S99 L107 | I41-A95 HydrophobicContact CD1-CB 4.18Å; V44-A95 HydrophobicContact CG1-CB 4.14Å; C45-A95 VanDerWaalsContact SG-CB 3.52Å; S91-A95 PolarHBondContact O-N 3.09Å; I92-A95 PolarHBondContact O-N 3.26Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.35Å; A95-Q98 PolarHBondContact O-N 2.95Å; A95-S99 WeakPolarHBondContact O-CB 3.48Å; A95-S99 PolarHBondContact O-N 2.68Å; A95-S99 VanDerWaalsContact O-N 3.11Å; A95-S99 PolarHBondContact O-OG 3.42Å; A95-L107 HydrophobicContact CB-CD1 4.14Å |
| 96 | L | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 177.8 | -175 | 152 | 0 | 0 | 0 | 111.9 | I92 L93 Q94 Q98 S99 R104 L107 I111 A144 T148 | I92-L96 WeakPolarHBondContact O-CB 3.44Å; I92-L96 PolarHBondContact O-N 2.91Å; L93-L96 WeakPolarHBondContact O-CB 3.36Å; L93-L96 PolarHBondContact O-N 3.15Å; Q94-L96 VanDerWaalsContact C-N 3.29Å; Q94-L96 PolarHBondContact O-N 3.13Å; L96-Q98 VanDerWaalsContact C-N 3.34Å; L96-Q98 PolarHBondContact O-N 3.45Å; L96-S99 PolarHBondContact O-N 2.87Å; L96-R104 HydrophobicContact CD2-CG 3.83Å; L96-R104 HydrophobicContact CG-CG 3.89Å; L96-L107 HydrophobicContact CB-CB 4.27Å; L96-L107 HydrophobicContact CB-CD1 4.19Å; L96-L107 HydrophobicContact CD1-CB 4.19Å; L96-L107 HydrophobicContact CG-CB 4.38Å; L96-I111 HydrophobicContact CD1-CD1 3.45Å; L96-I111 VanDerWaalsContact CD1-CD1 3.45Å; L96-A144 HydrophobicContact CD2-CB 4.3Å; L96-T148 HydrophobicContact CD1-CG2 4.16Å; L96-T148 WeakPolarHBondContact CD1-OG1 3.44Å |
| 97 | F | 90.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72 | -26.1 | -179.4 | -59.5 | -40 | 0 | 0 | 0 | 113.4 | L93 Q94 L130 C133 L141 A144 A145 | L93-F97 HydrophobicContact CB-CE2 4.1Å; L93-F97 HydrophobicContact CD2-CZ 4.49Å; L93-F97 WeakPolarHBondContact O-CD2 3.13Å; L93-F97 VanDerWaalsContact O-CG 3.27Å; L93-F97 WeakPolarHBondContact O-CG 3.32Å; L93-F97 PolarHBondContact O-N 3.46Å; Q94-F97 PolarHBondContact O-N 3.09Å; F97-L130 HydrophobicContact CZ-CD2 4.46Å; F97-C133 WeakPolarHBondContact CZ-SG 3.43Å; F97-L141 HydrophobicContact CB-CD1 3.81Å; F97-L141 HydrophobicContact CD1-CD1 3.49Å; F97-L141 VanDerWaalsContact CD1-CD1 3.49Å; F97-L141 HydrophobicContact CD2-CD1 4.15Å; F97-L141 HydrophobicContact CE1-CD1 4.07Å; F97-L141 HydrophobicContact CG-CD1 3.55Å; F97-A144 HydrophobicContact CD1-CB 4.17Å; F97-A144 HydrophobicContact CE1-CB 4.42Å; F97-A145 HydrophobicContact CE1-CB 4.32Å |
| 98 | Q | 88.7 | Confident | 91.3 | Very high | 114 Ų | 114 | 41.5 Ų | 41.5 | 53% | 0.533 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -84.8 | -10.8 | 174.1 | -67.7 | 176.8 | 0.8 | 0 | 0 | 113.5 | Q94 A95 L96 | Q94-Q98 WeakPolarHBondContact O-CG 3.28Å; Q94-Q98 PolarHBondContact O-N 3.35Å; Q94-Q98 VanDerWaalsContact O-N 3.09Å; A95-Q98 PolarHBondContact O-N 2.95Å; L96-Q98 VanDerWaalsContact C-N 3.34Å; L96-Q98 PolarHBondContact O-N 3.45Å |
| 99 | S | 89.9 | Confident | 91.1 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -86.1 | 153.5 | -178.5 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | A95 L96 R104 L107 | A95-S99 WeakPolarHBondContact O-CB 3.48Å; A95-S99 PolarHBondContact O-N 2.68Å; A95-S99 VanDerWaalsContact O-N 3.11Å; A95-S99 PolarHBondContact O-OG 3.42Å; L96-S99 PolarHBondContact O-N 2.87Å; S99-R104 PolarHBondContact O-NH2 3.39Å; S99-L107 WeakPolarHBondContact OG-CD1 3.39Å |
| 100 | D | 86.1 | Confident | 91.1 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | trans | -73.6 | 179.2 | 168.7 | 73.5 | 10.1 | 0 | 0 | 0 | 112.4 | K51 V102 G103 R104 | K51-D100 WeakPolarHBondContact CD-OD2 3.36Å; K51-D100 WeakPolarHBondContact CE-OD2 3.31Å; K51-D100 WeakPolarHBondContact CG-OD2 3.22Å; K51-D100 IonicContact NZ-OD2 2.89Å; K51-D100 PolarHBondContact NZ-OD2 3Å; D100-V102 VanDerWaalsContact C-N 3.26Å; D100-V102 PolarHBondContact O-N 3.35Å; D100-V102 VanDerWaalsContact O-N 3.17Å; D100-V102 PolarHBondContact OD1-N 2.81Å; D100-V102 VanDerWaalsContact OD1-N 3.08Å; D100-G103 PolarHBondContact O-N 3.04Å; D100-G103 PolarHBondContact OD1-N 3.15Å; D100-R104 WeakPolarHBondContact O-CB 3.39Å; D100-R104 PolarHBondContact O-N 3.46Å | ||
| 101 | N | 84.5 | Confident | 91.2 | Very high | 86 Ų | 86 | 39.7 Ų | 39.7 | 46% | 0.46 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.7 | -34.4 | -176 | -64.7 | -18.7 | 0 | 0 | 0 | 114.1 | R105 | N101-R105 WeakPolarHBondContact O-CG 3.48Å; N101-R105 PolarHBondContact O-N 3.24Å |
| 102 | V | 87.3 | Confident | 91.1 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 39% | 0.394 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -79 | -47.7 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | V55 D100 R104 R105 Q106 | V55-V102 HydrophobicContact CG1-CG1 3.92Å; V55-V102 HydrophobicContact CG2-CB 4.13Å; V55-V102 HydrophobicContact CG2-CG1 3.78Å; D100-V102 VanDerWaalsContact C-N 3.26Å; D100-V102 PolarHBondContact O-N 3.35Å; D100-V102 VanDerWaalsContact O-N 3.17Å; D100-V102 PolarHBondContact OD1-N 2.81Å; D100-V102 VanDerWaalsContact OD1-N 3.08Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 3.14Å; V102-R105 PolarHBondContact O-N 3.21Å; V102-Q106 PolarHBondContact O-N 2.9Å |
| 103 | G | 88.7 | Confident | 91 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D100 R105 Q106 L107 | D100-G103 PolarHBondContact O-N 3.04Å; D100-G103 PolarHBondContact OD1-N 3.15Å; G103-R105 PolarHBondContact O-N 3.17Å; G103-Q106 PolarHBondContact O-N 3.39Å; G103-L107 WeakPolarHBondContact O-CG 3.44Å; G103-L107 PolarHBondContact O-N 3.1Å |
| 104 | R | 89.6 | Confident | 91.1 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.1 | -45.5 | 177.1 | -175.6 | -177.7 | -58.6 | 159.6 | 2.8 | 112.5 | L96 S99 D100 V102 Q106 L107 S108 | L96-R104 HydrophobicContact CD2-CG 3.83Å; L96-R104 HydrophobicContact CG-CG 3.89Å; S99-R104 PolarHBondContact O-NH2 3.39Å; D100-R104 WeakPolarHBondContact O-CB 3.39Å; D100-R104 PolarHBondContact O-N 3.46Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 3.14Å; R104-Q106 PolarHBondContact O-N 3.01Å; R104-L107 PolarHBondContact O-N 3.15Å; R104-S108 WeakPolarHBondContact O-CB 3.38Å; R104-S108 PolarHBondContact O-N 3.46Å |
| 105 | R | 88.5 | Confident | 91.2 | Very high | 149 Ų | 149 | 35.6 Ų | 35.6 | 56% | 0.562 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -61 | -44.1 | 176.7 | -74.9 | 175.7 | -177.8 | 177 | 0.9 | 112.3 | N101 V102 G103 L107 S108 E109 E147 | N101-R105 WeakPolarHBondContact O-CG 3.48Å; N101-R105 PolarHBondContact O-N 3.24Å; V102-R105 PolarHBondContact O-N 3.21Å; G103-R105 PolarHBondContact O-N 3.17Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-L107 PolarHBondContact O-N 3.14Å; R105-S108 PolarHBondContact O-N 3.25Å; R105-E109 PolarHBondContact O-N 2.84Å; R105-E147 IonicContact NE-OE1 2.81Å |
| 106 | Q | 92 | Very high | 91 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 178.1 | -63.7 | -55.4 | -49.9 | 0 | 0 | 112.6 | A58 I59 V102 G103 R104 T110 | A58-Q106 HydrophobicContact CB-CB 3.8Å; I59-Q106 HydrophobicContact CG1-CG 4.08Å; V102-Q106 PolarHBondContact O-N 2.9Å; G103-Q106 PolarHBondContact O-N 3.39Å; R104-Q106 PolarHBondContact O-N 3.01Å; Q106-T110 PolarHBondContact O-N 2.94Å; Q106-T110 VanDerWaalsContact O-N 3.14Å; Q106-T110 PolarHBondContact O-OG1 2.96Å |
| 107 | L | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72 | -37.9 | 175.9 | -65.6 | 170.9 | 0 | 0 | 0 | 111.9 | V44 A58 L61 I92 A95 L96 S99 G103 R104 R105 E109 T110 I111 | V44-L107 HydrophobicContact CG1-CD1 3.99Å; A58-L107 HydrophobicContact CB-CD2 4.26Å; A58-L107 HydrophobicContact CB-CG 4.38Å; L61-L107 HydrophobicContact CD2-CD2 4.11Å; I92-L107 HydrophobicContact CG1-CD2 4.34Å; A95-L107 HydrophobicContact CB-CD1 4.14Å; L96-L107 HydrophobicContact CB-CB 4.27Å; L96-L107 HydrophobicContact CB-CD1 4.19Å; L96-L107 HydrophobicContact CD1-CB 4.19Å; L96-L107 HydrophobicContact CG-CB 4.38Å; S99-L107 WeakPolarHBondContact OG-CD1 3.39Å; G103-L107 WeakPolarHBondContact O-CG 3.44Å; G103-L107 PolarHBondContact O-N 3.1Å; R104-L107 PolarHBondContact O-N 3.15Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-L107 PolarHBondContact O-N 3.14Å; L107-E109 PolarHBondContact O-N 3.04Å; L107-T110 WeakPolarHBondContact O-CA 3.4Å; L107-T110 WeakPolarHBondContact O-CB 3.49Å; L107-T110 PolarHBondContact O-N 3.33Å; L107-T110 VanDerWaalsContact O-N 3.1Å; L107-I111 WeakPolarHBondContact O-CG1 3.45Å; L107-I111 PolarHBondContact O-N 3.01Å |
| 108 | S | 92.4 | Very high | 91 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -47.2 | 172.6 | -175 | 0 | 0 | 0 | 0 | 111 | R104 R105 T110 I111 C112 S151 | R104-S108 WeakPolarHBondContact O-CB 3.38Å; R104-S108 PolarHBondContact O-N 3.46Å; R105-S108 PolarHBondContact O-N 3.25Å; S108-T110 VanDerWaalsContact C-N 3.27Å; S108-T110 PolarHBondContact O-N 3.48Å; S108-I111 WeakPolarHBondContact O-CB 3.37Å; S108-I111 PolarHBondContact O-N 2.94Å; S108-I111 VanDerWaalsContact O-N 3.1Å; S108-C112 PolarHBondContact O-N 3.13Å; S108-C112 PolarHBondContact O-SG 3.22Å; S108-C112 VanDerWaalsContact O-SG 3.35Å; S108-S151 WeakPolarHBondContact OG-CB 3.24Å; S108-S151 PolarHBondContact OG-OG 2.97Å |
| 109 | E | 91.8 | Very high | 91.2 | Very high | 83 Ų | 83 | 38.6 Ų | 38.6 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.4 | -39.2 | 173.5 | -73.3 | 177.8 | -148.9 | 0 | 0 | 112.4 | K62 R105 L107 C112 I113 | K62-E109 HydrophobicContact CD-CB 3.86Å; K62-E109 WeakPolarHBondContact CD-OE2 3.27Å; K62-E109 WeakPolarHBondContact CE-OE2 3.49Å; K62-E109 IonicContact NZ-OE2 2.88Å; K62-E109 PolarHBondContact NZ-OE2 3.46Å; R105-E109 PolarHBondContact O-N 2.84Å; L107-E109 PolarHBondContact O-N 3.04Å; E109-C112 PolarHBondContact O-N 3.5Å; E109-I113 WeakPolarHBondContact O-CG1 3.42Å; E109-I113 PolarHBondContact O-N 2.92Å |
| 110 | T | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | L61 K62 V65 I92 Q106 L107 S108 C112 I113 I114 | L61-T110 HydrophobicContact CG-CG2 4.41Å; K62-T110 WeakPolarHBondContact CA-OG1 3.34Å; K62-T110 VanDerWaalsContact CB-OG1 3.31Å; K62-T110 WeakPolarHBondContact CB-OG1 3.27Å; V65-T110 HydrophobicContact CB-CG2 4.18Å; V65-T110 HydrophobicContact CG1-CG2 4.19Å; V65-T110 HydrophobicContact CG2-CG2 3.93Å; I92-T110 HydrophobicContact CD1-CG2 3.69Å; Q106-T110 PolarHBondContact O-N 2.94Å; Q106-T110 VanDerWaalsContact O-N 3.14Å; Q106-T110 PolarHBondContact O-OG1 2.96Å; L107-T110 WeakPolarHBondContact O-CA 3.4Å; L107-T110 WeakPolarHBondContact O-CB 3.49Å; L107-T110 PolarHBondContact O-N 3.33Å; L107-T110 VanDerWaalsContact O-N 3.1Å; S108-T110 VanDerWaalsContact C-N 3.27Å; S108-T110 PolarHBondContact O-N 3.48Å; T110-C112 VanDerWaalsContact C-N 3.34Å; T110-I113 PolarHBondContact O-N 2.79Å; T110-I114 HydrophobicContact CG2-CD1 4.27Å; T110-I114 WeakPolarHBondContact O-CG1 3.32Å; T110-I114 PolarHBondContact O-N 3.35Å; T110-I114 VanDerWaalsContact O-N 3.11Å |
| 111 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 173.8 | -67.3 | 168.3 | 0 | 0 | 0 | 110.3 | I92 L93 L96 L107 S108 I113 I114 S115 W123 L126 T148 | I92-I111 HydrophobicContact CD1-CG1 3.72Å; I92-I111 HydrophobicContact CG1-CD1 4.43Å; I92-I111 HydrophobicContact CG1-CG1 4.07Å; I92-I111 HydrophobicContact CG2-CD1 4.5Å; I92-I111 HydrophobicContact CG2-CG1 4.17Å; L93-I111 HydrophobicContact CD2-CD1 3.78Å; L96-I111 HydrophobicContact CD1-CD1 3.45Å; L96-I111 VanDerWaalsContact CD1-CD1 3.45Å; L107-I111 WeakPolarHBondContact O-CG1 3.45Å; L107-I111 PolarHBondContact O-N 3.01Å; S108-I111 WeakPolarHBondContact O-CB 3.37Å; S108-I111 PolarHBondContact O-N 2.94Å; S108-I111 VanDerWaalsContact O-N 3.1Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.32Å; I111-I114 PolarHBondContact O-N 2.89Å; I111-S115 VanDerWaalsContact O-CB 3.23Å; I111-S115 WeakPolarHBondContact O-CB 3.4Å; I111-S115 PolarHBondContact O-N 3.4Å; I111-S115 PolarHBondContact O-OG 3.29Å; I111-W123 HydrophobicContact CG1-CH2 4.34Å; I111-W123 HydrophobicContact CG2-CH2 4.25Å; I111-W123 HydrophobicContact CG2-CZ3 4.17Å; I111-L126 HydrophobicContact CG2-CD1 4.08Å; I111-L126 HydrophobicContact CG2-CD2 4.05Å; I111-T148 HydrophobicContact CD1-CG2 3.84Å; I111-T148 HydrophobicContact CG2-CG2 4.31Å |
| 112 | C | 92.9 | Very high | 91.8 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 22% | 0.216 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 177.5 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | S108 E109 T110 S115 K116 S151 | S108-C112 PolarHBondContact O-N 3.13Å; S108-C112 PolarHBondContact O-SG 3.22Å; S108-C112 VanDerWaalsContact O-SG 3.35Å; E109-C112 PolarHBondContact O-N 3.5Å; T110-C112 VanDerWaalsContact C-N 3.34Å; C112-S115 PolarHBondContact O-N 2.87Å; C112-K116 PolarHBondContact O-N 3.49Å; C112-S151 VanDerWaalsContact SG-C 3.51Å; C112-S151 PolarHBondContact SG-O 3.02Å; C112-S151 VanDerWaalsContact SG-O 3.35Å |
| 113 | I | 92.2 | Very high | 92.1 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 17% | 0.169 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -48.1 | 176.6 | -65.6 | 163.1 | 0 | 0 | 0 | 110.8 | K62 V65 R66 E109 T110 I111 S115 K116 | K62-I113 HydrophobicContact CG-CD1 3.89Å; V65-I113 HydrophobicContact CG1-CB 4.31Å; V65-I113 HydrophobicContact CG1-CG2 3.82Å; R66-I113 HydrophobicContact CB-CD1 4.17Å; E109-I113 WeakPolarHBondContact O-CG1 3.42Å; E109-I113 PolarHBondContact O-N 2.92Å; T110-I113 PolarHBondContact O-N 2.79Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.32Å; I113-S115 VanDerWaalsContact C-N 3.32Å; I113-S115 PolarHBondContact O-N 3.42Å; I113-K116 WeakPolarHBondContact O-CB 3.45Å; I113-K116 PolarHBondContact O-N 3.44Å |
| 114 | I | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 178.1 | -65.4 | 167.3 | 0 | 0 | 0 | 110.3 | V65 W69 L88 I92 T110 I111 K116 H117 D118 W123 | V65-I114 HydrophobicContact CG1-CD1 4.3Å; V65-I114 HydrophobicContact CG1-CG1 3.67Å; W69-I114 HydrophobicContact CD2-CG1 3.89Å; W69-I114 HydrophobicContact CD2-CG2 4.48Å; W69-I114 HydrophobicContact CE3-CD1 4.43Å; W69-I114 HydrophobicContact CE3-CG1 3.98Å; W69-I114 HydrophobicContact CH2-CD1 4.16Å; W69-I114 HydrophobicContact CH2-CG1 4.12Å; W69-I114 HydrophobicContact CH2-CG2 4Å; W69-I114 HydrophobicContact CZ2-CB 4.24Å; W69-I114 HydrophobicContact CZ2-CG1 4.05Å; W69-I114 HydrophobicContact CZ2-CG2 3.37Å; W69-I114 HydrophobicContact CZ3-CD1 4.13Å; W69-I114 HydrophobicContact CZ3-CG1 4.1Å; L88-I114 HydrophobicContact CD2-CD1 3.7Å; L88-I114 HydrophobicContact CG-CD1 4.12Å; I92-I114 HydrophobicContact CD1-CD1 4.28Å; T110-I114 HydrophobicContact CG2-CD1 4.27Å; T110-I114 WeakPolarHBondContact O-CG1 3.32Å; T110-I114 PolarHBondContact O-N 3.35Å; T110-I114 VanDerWaalsContact O-N 3.11Å; I111-I114 PolarHBondContact O-N 2.89Å; I114-K116 PolarHBondContact O-N 3.23Å; I114-H117 PolarHBondContact O-N 3.06Å; I114-D118 HydrophobicContact CG2-CB 4.35Å; I114-D118 PolarHBondContact O-N 2.78Å; I114-W123 HydrophobicContact CB-CE3 4.42Å; I114-W123 HydrophobicContact CB-CZ3 3.89Å; I114-W123 HydrophobicContact CD1-CZ3 4.45Å; I114-W123 HydrophobicContact CG2-CE3 3.53Å; I114-W123 HydrophobicContact CG2-CH2 4.38Å; I114-W123 HydrophobicContact CG2-CZ3 3.42Å; I114-W123 VanDerWaalsContact CG2-CZ3 3.42Å |
| 115 | S | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.9 | -20.4 | -175.7 | -56.1 | 0 | 0 | 0 | 0 | 113.1 | I111 C112 I113 H117 F119 L126 R155 | I111-S115 VanDerWaalsContact O-CB 3.23Å; I111-S115 WeakPolarHBondContact O-CB 3.4Å; I111-S115 PolarHBondContact O-N 3.4Å; I111-S115 PolarHBondContact O-OG 3.29Å; C112-S115 PolarHBondContact O-N 2.87Å; I113-S115 VanDerWaalsContact C-N 3.32Å; I113-S115 PolarHBondContact O-N 3.42Å; S115-H117 PolarHBondContact O-N 2.87Å; S115-F119 WeakPolarHBondContact O-CB 3.36Å; S115-F119 PolarHBondContact O-N 2.87Å; S115-L126 WeakPolarHBondContact OG-CD2 3.23Å; S115-R155 PolarHBondContact O-NH1 2.95Å; S115-R155 PolarHBondContact O-NH2 3.07Å |
| 116 | K | 88.8 | Confident | 92.5 | Very high | 117 Ų | 117 | 41.7 Ų | 41.7 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -25.8 | 169.8 | -167.6 | 177.7 | 178.6 | -178.5 | 0 | 113.5 | C112 I113 I114 | C112-K116 PolarHBondContact O-N 3.49Å; I113-K116 WeakPolarHBondContact O-CB 3.45Å; I113-K116 PolarHBondContact O-N 3.44Å; I114-K116 PolarHBondContact O-N 3.23Å |
| 117 | H | 89.9 | Confident | 92.6 | Very high | 93 Ų | 93 | 40.2 Ų | 40.2 | 43% | 0.431 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -112.5 | -28.9 | -176.3 | -63.3 | -73.6 | 0 | 0 | 0 | 113.7 | I114 S115 | I114-H117 PolarHBondContact O-N 3.06Å; S115-H117 PolarHBondContact O-N 2.87Å |
| 118 | D | 93.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -117.6 | -22.4 | -166.6 | -76.4 | 11.9 | 0 | 0 | 0 | 114.2 | W69 K89 I114 P120 N121 K122 W123 | W69-D118 WeakPolarHBondContact CZ2-OD2 3.46Å; W69-D118 PolarHBondContact NE1-OD2 3.2Å; K89-D118 WeakPolarHBondContact CE-OD2 3.25Å; K89-D118 IonicContact NZ-OD2 2.7Å; K89-D118 PolarHBondContact NZ-OD2 2.81Å; I114-D118 HydrophobicContact CG2-CB 4.35Å; I114-D118 PolarHBondContact O-N 2.78Å; D118-P120 CarbonylContact O-C 3.58Å; D118-N121 PolarHBondContact O-N 2.88Å; D118-K122 HydrophobicContact CB-CB 3.91Å; D118-K122 HydrophobicContact CB-CD 4.42Å; D118-K122 CarbonylContact O-C 3.47Å; D118-K122 WeakPolarHBondContact O-CA 3.4Å; D118-K122 WeakPolarHBondContact O-CB 3.09Å; D118-K122 PolarHBondContact O-N 3.45Å; D118-K122 WeakPolarHBondContact OD1-CD 3.37Å; D118-K122 IonicContact OD1-NZ 3.24Å; D118-W123 HydrophobicContact CB-CB 4.46Å; D118-W123 PolarHBondContact O-N 2.84Å; D118-W123 VanDerWaalsContact O-N 3.15Å |
| 119 | F | 93.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 139.7 | 177.5 | -178.4 | -101.9 | 0 | 0 | 0 | 110.3 | S115 L126 L127 L152 E168 Y171 V172 | S115-F119 WeakPolarHBondContact O-CB 3.36Å; S115-F119 PolarHBondContact O-N 2.87Å; F119-L126 HydrophobicContact CD2-CB 4.35Å; F119-L126 HydrophobicContact CD2-CD2 4Å; F119-L126 HydrophobicContact CG-CD2 4.49Å; F119-L127 HydrophobicContact CE2-CB 4.2Å; F119-L152 HydrophobicContact CE1-CD2 4.44Å; F119-E168 HydrophobicContact CD1-CG 3.91Å; F119-E168 HydrophobicContact CE1-CG 3.78Å; F119-Y171 HydrophobicContact CE2-CD1 4.4Å; F119-Y171 AromaticContact CE2-CE1 3.98Å; F119-Y171 HydrophobicContact CE2-CE1 3.98Å; F119-Y171 HydrophobicContact CZ-CD1 4.02Å; F119-Y171 HydrophobicContact CZ-CE1 4.02Å; F119-V172 HydrophobicContact CE1-CG2 3.64Å; F119-V172 HydrophobicContact CZ-CG2 3.68Å |
| 120 | P | 91.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88.3 | -20.2 | -5.4 | 33.6 | -30.1 | 0 | 0 | 0 | 113.5 | D118 K122 W123 P124 E168 Y171 | D118-P120 CarbonylContact O-C 3.58Å; P120-K122 PolarHBondContact O-N 2.81Å; P120-W123 CarbonylContact O-C 3.58Å; P120-W123 PolarHBondContact O-N 2.94Å; P120-P124 WeakPolarHBondContact O-CA 3.42Å; P120-P124 WeakPolarHBondContact O-CD 3.19Å; P120-P124 VanDerWaalsContact O-N 3.08Å; P120-E168 HydrophobicContact CG-CB 4.38Å; P120-E168 HydrophobicContact CG-CG 4.28Å; P120-Y171 HydrophobicContact CB-CD1 3.29Å; P120-Y171 HydrophobicContact CB-CD2 4.48Å; P120-Y171 HydrophobicContact CB-CE1 3.52Å; P120-Y171 HydrophobicContact CB-CG 3.82Å; P120-Y171 HydrophobicContact CG-CD1 3.96Å; P120-Y171 HydrophobicContact CG-CG 4.08Å |
| 121 | N | 89.8 | Confident | 92.6 | Very high | 142 Ų | 142 | 44.3 Ų | 44.3 | 76% | 0.759 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -38.9 | -164.9 | -66.4 | -32.5 | 0 | 0 | 0 | 115.2 | D118 | D118-N121 PolarHBondContact O-N 2.88Š|
| 122 | K | 90.9 | Very high | 92.5 | Very high | 139 Ų | 139 | 48.3 Ų | 48.3 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 2 | -178.8 | -59 | 176.1 | -177.1 | 168.2 | 0 | 112.8 | K89 D118 P120 | K89-K122 PolarHBondContact NZ-O 3.14Å; D118-K122 HydrophobicContact CB-CB 3.91Å; D118-K122 HydrophobicContact CB-CD 4.42Å; D118-K122 CarbonylContact O-C 3.47Å; D118-K122 WeakPolarHBondContact O-CA 3.4Å; D118-K122 WeakPolarHBondContact O-CB 3.09Å; D118-K122 PolarHBondContact O-N 3.45Å; D118-K122 WeakPolarHBondContact OD1-CD 3.37Å; D118-K122 IonicContact OD1-NZ 3.24Å; P120-K122 PolarHBondContact O-N 2.81Å |
| 123 | W | 94.5 | Very high | 92.6 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | trans | -150.8 | 56.4 | 177.8 | -159.6 | 12.4 | 0 | 0 | 0 | 112.3 | K89 I92 I111 I114 D118 P120 E125 L126 | K89-W123 HydrophobicContact CB-CD2 4.39Å; K89-W123 HydrophobicContact CB-CZ2 3.99Å; K89-W123 HydrophobicContact CD-CB 4.28Å; K89-W123 HydrophobicContact CD-CD2 3.97Å; K89-W123 HydrophobicContact CD-CG 3.8Å; K89-W123 HydrophobicContact CG-CD2 3.84Å; K89-W123 HydrophobicContact CG-CE3 4.33Å; K89-W123 HydrophobicContact CG-CG 4.19Å; K89-W123 HydrophobicContact CG-CH2 4.47Å; K89-W123 HydrophobicContact CG-CZ2 4Å; I92-W123 HydrophobicContact CG2-CH2 3.8Å; I92-W123 HydrophobicContact CG2-CZ2 3.91Å; I111-W123 HydrophobicContact CG1-CH2 4.34Å; I111-W123 HydrophobicContact CG2-CH2 4.25Å; I111-W123 HydrophobicContact CG2-CZ3 4.17Å; I114-W123 HydrophobicContact CB-CE3 4.42Å; I114-W123 HydrophobicContact CB-CZ3 3.89Å; I114-W123 HydrophobicContact CD1-CZ3 4.45Å; I114-W123 HydrophobicContact CG2-CE3 3.53Å; I114-W123 HydrophobicContact CG2-CH2 4.38Å; I114-W123 HydrophobicContact CG2-CZ3 3.42Å; I114-W123 VanDerWaalsContact CG2-CZ3 3.42Å; D118-W123 HydrophobicContact CB-CB 4.46Å; D118-W123 PolarHBondContact O-N 2.84Å; D118-W123 VanDerWaalsContact O-N 3.15Å; P120-W123 CarbonylContact O-C 3.58Å; P120-W123 PolarHBondContact O-N 2.94Å; W123-E125 PolarHBondContact O-N 3.43Å; W123-L126 HydrophobicContact CD2-CB 4.01Å; W123-L126 HydrophobicContact CD2-CD2 4.33Å; W123-L126 HydrophobicContact CE3-CB 4.43Å; W123-L126 HydrophobicContact CE3-CD2 3.91Å; W123-L126 HydrophobicContact CG-CB 4.18Å; W123-L126 HydrophobicContact CH2-CD1 4.2Å; W123-L126 HydrophobicContact CZ2-CD1 4.19Å; W123-L126 HydrophobicContact CZ3-CD2 4.01Å; W123-L126 PolarHBondContact O-N 3.21Å | ||
| 124 | P | 90 | Very high | 92.6 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.3 | -177.3 | 27.5 | -35.6 | 0 | 0 | 0 | 113 | P120 L126 Y171 | P120-P124 WeakPolarHBondContact O-CA 3.42Å; P120-P124 WeakPolarHBondContact O-CD 3.19Å; P120-P124 VanDerWaalsContact O-N 3.08Å; P124-L126 PolarHBondContact O-N 3.34Å; P124-Y171 WeakPolarHBondContact CB-OH 3.38Å; P124-Y171 PolarHBondContact O-OH 3.37Å; P124-Y171 VanDerWaalsContact O-OH 3.07Å |
| 125 | E | 91.5 | Very high | 92.5 | Very high | 116 Ų | 116 | 52.3 Ų | 52.3 | 54% | 0.542 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -22.6 | -177.1 | -53.8 | 80.9 | -175.8 | 0 | 0 | 113 | W123 L127 Q128 A129 | W123-E125 PolarHBondContact O-N 3.43Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 2.84Å; E125-Q128 PolarHBondContact O-N 3.34Å; E125-A129 WeakPolarHBondContact O-CB 3.45Å; E125-A129 PolarHBondContact O-N 3.15Å |
| 126 | L | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.1 | -48.8 | -179.4 | 175 | 59.5 | 0 | 0 | 0 | 111.5 | L93 I111 S115 F119 W123 P124 A129 L130 L152 | L93-L126 HydrophobicContact CD1-CD1 4.01Å; L93-L126 HydrophobicContact CD2-CD1 3.98Å; L93-L126 HydrophobicContact CG-CD1 4.36Å; I111-L126 HydrophobicContact CG2-CD1 4.08Å; I111-L126 HydrophobicContact CG2-CD2 4.05Å; S115-L126 WeakPolarHBondContact OG-CD2 3.23Å; F119-L126 HydrophobicContact CD2-CB 4.35Å; F119-L126 HydrophobicContact CD2-CD2 4Å; F119-L126 HydrophobicContact CG-CD2 4.49Å; W123-L126 HydrophobicContact CD2-CB 4.01Å; W123-L126 HydrophobicContact CD2-CD2 4.33Å; W123-L126 HydrophobicContact CE3-CB 4.43Å; W123-L126 HydrophobicContact CE3-CD2 3.91Å; W123-L126 HydrophobicContact CG-CB 4.18Å; W123-L126 HydrophobicContact CH2-CD1 4.2Å; W123-L126 HydrophobicContact CZ2-CD1 4.19Å; W123-L126 HydrophobicContact CZ3-CD2 4.01Å; W123-L126 PolarHBondContact O-N 3.21Å; P124-L126 PolarHBondContact O-N 3.34Å; L126-A129 PolarHBondContact O-N 3.09Å; L126-L130 HydrophobicContact CD1-CD1 4.28Å; L126-L130 HydrophobicContact CD1-CG 4.41Å; L126-L130 HydrophobicContact CG-CD1 4.44Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 3.42Å; L126-L130 VanDerWaalsContact O-N 3.08Å; L126-L152 HydrophobicContact CD2-CD2 3.99Å |
| 127 | L | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | -177.1 | -168.2 | 64.9 | 0 | 0 | 0 | 111.8 | F119 E125 L130 K131 F153 Y171 N175 F176 | F119-L127 HydrophobicContact CE2-CB 4.2Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 2.84Å; L127-L130 PolarHBondContact O-N 3.16Å; L127-K131 VanDerWaalsContact O-CB 3.25Å; L127-K131 WeakPolarHBondContact O-CB 3.31Å; L127-K131 PolarHBondContact O-N 3.33Å; L127-F153 HydrophobicContact CD1-CZ 3.98Å; L127-Y171 HydrophobicContact CB-CE1 4.4Å; L127-Y171 HydrophobicContact CD2-CD1 4.21Å; L127-Y171 HydrophobicContact CD2-CE1 3.79Å; L127-N175 HydrophobicContact CD2-CB 3.54Å; L127-F176 HydrophobicContact CD1-CB 4.11Å; L127-F176 HydrophobicContact CD1-CD2 3.3Å; L127-F176 HydrophobicContact CD1-CE2 3.72Å; L127-F176 HydrophobicContact CD1-CG 3.83Å; L127-F176 HydrophobicContact CD2-CB 4.31Å; L127-F176 HydrophobicContact CG-CB 4.45Å; L127-F176 HydrophobicContact CG-CD2 3.86Å |
| 128 | Q | 93 | Very high | 92.4 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177.9 | -63.1 | -58.4 | -27.5 | 0 | 0 | 111.6 | E125 K131 S132 | E125-Q128 PolarHBondContact O-N 3.34Å; Q128-K131 PolarHBondContact O-N 3.35Å; Q128-S132 WeakPolarHBondContact O-CB 3.29Å; Q128-S132 PolarHBondContact O-N 3.37Å |
| 129 | A | 92.6 | Very high | 92.2 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L93 E125 L126 S132 | L93-A129 HydrophobicContact CD1-CB 3.42Å; L93-A129 VanDerWaalsContact CD1-CB 3.42Å; E125-A129 WeakPolarHBondContact O-CB 3.45Å; E125-A129 PolarHBondContact O-N 3.15Å; L126-A129 PolarHBondContact O-N 3.09Å; A129-S132 PolarHBondContact O-N 3.32Å; A129-S132 PolarHBondContact O-OG 3.06Å |
| 130 | L | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.1 | -66.5 | 175.7 | 0 | 0 | 0 | 111.8 | L93 F97 L126 L127 S132 C133 A145 T148 A149 | L93-L130 HydrophobicContact CD2-CD2 4.1Å; F97-L130 HydrophobicContact CZ-CD2 4.46Å; L126-L130 HydrophobicContact CD1-CD1 4.28Å; L126-L130 HydrophobicContact CD1-CG 4.41Å; L126-L130 HydrophobicContact CG-CD1 4.44Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 3.42Å; L126-L130 VanDerWaalsContact O-N 3.08Å; L127-L130 PolarHBondContact O-N 3.16Å; L130-S132 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 3.34Å; L130-C133 WeakPolarHBondContact O-CB 3.39Å; L130-C133 PolarHBondContact O-N 2.93Å; L130-A145 HydrophobicContact CD2-CB 4.22Å; L130-T148 HydrophobicContact CD1-CG2 4.44Å; L130-T148 HydrophobicContact CD2-CG2 4.06Å; L130-A149 HydrophobicContact CD1-CB 4.36Å |
| 131 | K | 94.1 | Very high | 92 | Very high | 63 Ų | 63 | 60.2 Ų | 60.2 | 27% | 0.274 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 177 | 176.7 | 175.4 | 172.4 | 168.8 | 0 | 112.3 | L127 Q128 C133 F134 N175 F176 A179 | L127-K131 VanDerWaalsContact O-CB 3.25Å; L127-K131 WeakPolarHBondContact O-CB 3.31Å; L127-K131 PolarHBondContact O-N 3.33Å; Q128-K131 PolarHBondContact O-N 3.35Å; K131-C133 PolarHBondContact O-N 3.41Å; K131-F134 VanDerWaalsContact O-CB 3.28Å; K131-F134 WeakPolarHBondContact O-CB 3.49Å; K131-F134 WeakPolarHBondContact O-CG 3.49Å; K131-F134 PolarHBondContact O-N 3.31Å; K131-N175 PolarHBondContact NZ-O 2.98Å; K131-F176 HydrophobicContact CB-CD2 4.41Å; K131-F176 HydrophobicContact CB-CE2 4.35Å; K131-A179 HydrophobicContact CD-CB 3.93Å; K131-A179 HydrophobicContact CG-CB 3.88Å |
| 132 | S | 93.4 | Very high | 92.3 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 58% | 0.58 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.1 | -25.9 | -179.7 | 76.2 | 0 | 0 | 0 | 0 | 113.7 | Q128 A129 L130 F134 | Q128-S132 WeakPolarHBondContact O-CB 3.29Å; Q128-S132 PolarHBondContact O-N 3.37Å; A129-S132 PolarHBondContact O-N 3.32Å; A129-S132 PolarHBondContact O-OG 3.06Å; L130-S132 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 3.34Å; S132-F134 PolarHBondContact O-N 3.39Å |
| 133 | C | 93.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -72.1 | -18.3 | 176.9 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | F97 L130 K131 D135 S136 L141 V142 A145 | F97-C133 WeakPolarHBondContact CZ-SG 3.43Å; L130-C133 WeakPolarHBondContact O-CB 3.39Å; L130-C133 PolarHBondContact O-N 2.93Å; K131-C133 PolarHBondContact O-N 3.41Å; C133-D135 VanDerWaalsContact C-N 3.31Å; C133-D135 PolarHBondContact O-N 2.97Å; C133-S136 WeakPolarHBondContact O-CB 3.39Å; C133-S136 PolarHBondContact O-N 3.39Å; C133-L141 HydrophobicContact CB-CG 4.24Å; C133-V142 WeakPolarHBondContact O-CG2 3.49Å; C133-A145 HydrophobicContact CB-CB 3.65Å |
| 134 | F | 93.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -65.2 | -35.6 | -173.7 | -67.7 | -7.1 | 0 | 0 | 0 | 112.2 | K131 S132 S136 A145 L146 F176 A179 L183 R186 | K131-F134 VanDerWaalsContact O-CB 3.28Å; K131-F134 WeakPolarHBondContact O-CB 3.49Å; K131-F134 WeakPolarHBondContact O-CG 3.49Å; K131-F134 PolarHBondContact O-N 3.31Å; S132-F134 PolarHBondContact O-N 3.39Å; F134-S136 PolarHBondContact O-N 3.44Å; F134-A145 HydrophobicContact CD1-CB 4.49Å; F134-A145 HydrophobicContact CE1-CB 4.16Å; F134-L146 HydrophobicContact CE1-CD2 3.77Å; F134-L146 HydrophobicContact CE1-CG 3.93Å; F134-L146 HydrophobicContact CZ-CD2 3.65Å; F134-L146 HydrophobicContact CZ-CG 4.33Å; F134-F176 HydrophobicContact CE1-CZ 4.47Å; F134-F176 HydrophobicContact CE2-CE1 4.24Å; F134-F176 AromaticContact CE2-CE2 3.83Å; F134-F176 HydrophobicContact CE2-CE2 3.83Å; F134-F176 AromaticContact CE2-CZ 3.68Å; F134-F176 HydrophobicContact CE2-CZ 3.68Å; F134-F176 HydrophobicContact CZ-CE1 4.1Å; F134-F176 AromaticContact CZ-CE2 3.79Å; F134-F176 HydrophobicContact CZ-CE2 3.79Å; F134-F176 AromaticContact CZ-CZ 3.34Å; F134-F176 HydrophobicContact CZ-CZ 3.34Å; F134-A179 HydrophobicContact CD2-CB 4.25Å; F134-L183 HydrophobicContact CB-CD1 4.48Å; F134-L183 HydrophobicContact CB-CD2 4.2Å; F134-L183 HydrophobicContact CD1-CD2 3.84Å; F134-L183 HydrophobicContact CD2-CB 4.45Å; F134-L183 HydrophobicContact CD2-CD2 3.87Å; F134-L183 HydrophobicContact CE1-CD2 4.05Å; F134-L183 HydrophobicContact CE2-CD2 4.07Å; F134-L183 HydrophobicContact CG-CD2 3.73Å; F134-L183 HydrophobicContact CZ-CD2 4.13Å; F134-R186 PolarHBondContact O-NH1 2.9Å; F134-R186 PolarHBondContact O-NH2 3.46Å |
| 135 | D | 91.3 | Very high | 92.5 | Very high | 136 Ų | 136 | 44.9 Ų | 44.9 | 73% | 0.727 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -77.1 | -1.6 | -179.9 | -63.3 | -35.5 | 0 | 0 | 0 | 113.8 | C133 | C133-D135 VanDerWaalsContact C-N 3.31Å; C133-D135 PolarHBondContact O-N 2.97Å |
| 136 | S | 92 | Very high | 92.7 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | trans | -63.7 | 139.8 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | C133 F134 D138 | C133-S136 WeakPolarHBondContact O-CB 3.39Å; C133-S136 PolarHBondContact O-N 3.39Å; F134-S136 PolarHBondContact O-N 3.44Å; S136-D138 PolarHBondContact O-N 3.14Å; S136-D138 WeakPolarHBondContact OG-CB 3.21Å; S136-D138 PolarHBondContact OG-N 2.88Å | ||
| 137 | P | 87.7 | Confident | 92.7 | Very high | 125 Ų | 125 | 40.7 Ų | 40.7 | 81% | 0.812 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -72.8 | -12.4 | 167.6 | 32.1 | -35.5 | 0 | 0 | 0 | 112.7 | Y139 | P137-Y139 PolarHBondContact O-N 3.37Š|
| 138 | D | 90.2 | Very high | 92.7 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 43% | 0.428 | 23% | 0.227 | S | C | . | . | trans | -86.4 | 104.6 | 178 | -179 | -1.8 | 0 | 0 | 0 | 111 | S136 D140 L141 V142 | S136-D138 PolarHBondContact O-N 3.14Å; S136-D138 WeakPolarHBondContact OG-CB 3.21Å; S136-D138 PolarHBondContact OG-N 2.88Å; D138-D140 PolarHBondContact O-N 3.24Å; D138-D140 WeakPolarHBondContact OD1-CB 3.35Å; D138-D140 PolarHBondContact OD1-N 2.97Å; D138-L141 HydrophobicContact CB-CB 4.12Å; D138-L141 PolarHBondContact O-N 2.8Å; D138-L141 PolarHBondContact OD1-N 3.31Å; D138-V142 WeakPolarHBondContact O-CG2 3.3Å; D138-V142 PolarHBondContact O-N 3.49Å; D138-V142 VanDerWaalsContact O-N 3.08Å | ||
| 139 | Y | 90.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -22.9 | 178.5 | -66 | -62.7 | 0 | 0 | 0 | 113.9 | P137 H143 L187 S190 T205 T209 C212 | P137-Y139 PolarHBondContact O-N 3.37Å; Y139-H143 WeakPolarHBondContact O-CB 3.48Å; Y139-H143 PolarHBondContact O-N 2.89Å; Y139-L187 HydrophobicContact CD1-CD2 4Å; Y139-L187 HydrophobicContact CE1-CD2 3.63Å; Y139-S190 PolarHBondContact OH-OG 3.31Å; Y139-T205 HydrophobicContact CD2-CG2 4.03Å; Y139-T205 HydrophobicContact CE2-CG2 3.64Å; Y139-T209 HydrophobicContact CE1-CG2 4.32Å; Y139-C212 PolarHBondContact O-SG 2.87Å; Y139-C212 VanDerWaalsContact O-SG 3.41Å |
| 140 | D | 89.6 | Confident | 93 | Very high | 85 Ų | 85 | 36 Ų | 36 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.2 | -38.2 | 174.6 | -75.3 | -41.7 | 0 | 0 | 0 | 110.9 | D138 A144 R211 | D138-D140 PolarHBondContact O-N 3.24Å; D138-D140 WeakPolarHBondContact OD1-CB 3.35Å; D138-D140 PolarHBondContact OD1-N 2.97Å; D140-A144 WeakPolarHBondContact O-CB 3.28Å; D140-A144 PolarHBondContact O-N 3Å; D140-R211 IonicContact OD1-CZ 3.32Å; D140-R211 IonicContact OD1-NH2 3.72Å; D140-R211 PolarHBondContact OD1-NH2 3.41Å |
| 141 | L | 91.5 | Very high | 92.9 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 24% | 0.236 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | 173.7 | -177.3 | 61.3 | 0 | 0 | 0 | 111.6 | F97 C133 D138 H143 A144 A145 | F97-L141 HydrophobicContact CB-CD1 3.81Å; F97-L141 HydrophobicContact CD1-CD1 3.49Å; F97-L141 VanDerWaalsContact CD1-CD1 3.49Å; F97-L141 HydrophobicContact CD2-CD1 4.15Å; F97-L141 HydrophobicContact CE1-CD1 4.07Å; F97-L141 HydrophobicContact CG-CD1 3.55Å; C133-L141 HydrophobicContact CB-CG 4.24Å; D138-L141 HydrophobicContact CB-CB 4.12Å; D138-L141 PolarHBondContact O-N 2.8Å; D138-L141 PolarHBondContact OD1-N 3.31Å; L141-H143 VanDerWaalsContact C-N 3.33Å; L141-H143 PolarHBondContact O-N 3.28Å; L141-A144 PolarHBondContact O-N 3.5Å; L141-A145 PolarHBondContact O-N 3.39Å; L141-A145 VanDerWaalsContact O-N 3.1Å |
| 142 | V | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | C133 D138 A144 A145 L146 L183 | C133-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 WeakPolarHBondContact O-CG2 3.3Å; D138-V142 PolarHBondContact O-N 3.49Å; D138-V142 VanDerWaalsContact O-N 3.08Å; V142-A144 PolarHBondContact O-N 3.16Å; V142-A145 PolarHBondContact O-N 3.01Å; V142-L146 HydrophobicContact CG1-CD1 4Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 3.05Å; V142-L183 HydrophobicContact CG1-CD1 3.99Å; V142-L183 HydrophobicContact CG1-CD2 4.11Å |
| 143 | H | 93.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 6% | 0.06 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.1 | 177.4 | -87.4 | 0 | 0 | 0 | 112.1 | Y139 L141 A145 L146 E147 R211 | Y139-H143 WeakPolarHBondContact O-CB 3.48Å; Y139-H143 PolarHBondContact O-N 2.89Å; L141-H143 VanDerWaalsContact C-N 3.33Å; L141-H143 PolarHBondContact O-N 3.28Å; H143-A145 VanDerWaalsContact C-N 3.32Å; H143-A145 PolarHBondContact O-N 3.38Å; H143-L146 PolarHBondContact O-N 3.05Å; H143-E147 IonicContact CE1-OE2 3.47Å; H143-E147 IonicContact ND1-OE2 2.85Å; H143-E147 WeakPolarHBondContact O-CB 3.45Å; H143-E147 PolarHBondContact O-N 3.22Å; H143-R211 VanDerWaalsContact CD2-CG 3.46Å; H143-R211 WeakPolarHBondContact CD2-CG 3.38Å; H143-R211 PolarHBondContact CD2-NE 3.46Å; H143-R211 VanDerWaalsContact CD2-NE 3.29Å; H143-R211 WeakPolarHBondContact NE2-CD 3.21Å; H143-R211 WeakPolarHBondContact NE2-CG 3.44Å; H143-R211 PolarHBondContact NE2-NE 3.47Å |
| 144 | A | 91.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L96 F97 D140 L141 V142 T148 | L96-A144 HydrophobicContact CD2-CB 4.3Å; F97-A144 HydrophobicContact CD1-CB 4.17Å; F97-A144 HydrophobicContact CE1-CB 4.42Å; D140-A144 WeakPolarHBondContact O-CB 3.28Å; D140-A144 PolarHBondContact O-N 3Å; L141-A144 PolarHBondContact O-N 3.5Å; V142-A144 PolarHBondContact O-N 3.16Å; A144-T148 PolarHBondContact O-N 3.2Å; A144-T148 VanDerWaalsContact O-N 3.14Å; A144-T148 PolarHBondContact O-OG1 2.94Å |
| 145 | A | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F97 L130 C133 F134 L141 V142 H143 T148 A149 | F97-A145 HydrophobicContact CE1-CB 4.32Å; L130-A145 HydrophobicContact CD2-CB 4.22Å; C133-A145 HydrophobicContact CB-CB 3.65Å; F134-A145 HydrophobicContact CD1-CB 4.49Å; F134-A145 HydrophobicContact CE1-CB 4.16Å; L141-A145 PolarHBondContact O-N 3.39Å; L141-A145 VanDerWaalsContact O-N 3.1Å; V142-A145 PolarHBondContact O-N 3.01Å; H143-A145 VanDerWaalsContact C-N 3.32Å; H143-A145 PolarHBondContact O-N 3.38Å; A145-T148 PolarHBondContact O-N 3.11Å; A145-A149 PolarHBondContact O-N 3.42Å |
| 146 | L | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 177 | -72.7 | 168.4 | 0 | 0 | 0 | 113 | F134 V142 H143 T148 A149 S150 L180 L183 C212 Q215 V216 | F134-L146 HydrophobicContact CE1-CD2 3.77Å; F134-L146 HydrophobicContact CE1-CG 3.93Å; F134-L146 HydrophobicContact CZ-CD2 3.65Å; F134-L146 HydrophobicContact CZ-CG 4.33Å; V142-L146 HydrophobicContact CG1-CD1 4Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 3.05Å; H143-L146 PolarHBondContact O-N 3.05Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 3.34Å; L146-A149 CarbonylContact O-C 3.32Å; L146-A149 PolarHBondContact O-N 2.69Å; L146-A149 VanDerWaalsContact O-N 3.16Å; L146-S150 WeakPolarHBondContact O-CB 3.23Å; L146-S150 PolarHBondContact O-N 3.4Å; L146-L180 HydrophobicContact CD2-CD1 4.05Å; L146-L183 HydrophobicContact CD1-CD2 3.98Å; L146-L183 HydrophobicContact CD2-CD2 3.96Å; L146-L183 HydrophobicContact CG-CD2 4.23Å; L146-C212 HydrophobicContact CD1-CB 3.99Å; L146-C212 WeakPolarHBondContact CD1-O 3.46Å; L146-Q215 HydrophobicContact CB-CB 3.57Å; L146-Q215 HydrophobicContact CB-CG 4.38Å; L146-Q215 HydrophobicContact CD1-CB 4.24Å; L146-Q215 HydrophobicContact CG-CB 4.47Å; L146-V216 HydrophobicContact CD1-CG2 3.77Å; L146-V216 HydrophobicContact CD2-CG2 3.94Å |
| 147 | E | 93.6 | Very high | 92.9 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 176.3 | -175.2 | 178.4 | -161 | 0 | 0 | 111.4 | R105 H143 S151 Q215 | R105-E147 IonicContact NE-OE1 2.81Å; H143-E147 IonicContact CE1-OE2 3.47Å; H143-E147 IonicContact ND1-OE2 2.85Å; H143-E147 WeakPolarHBondContact O-CB 3.45Å; H143-E147 PolarHBondContact O-N 3.22Å; E147-S151 WeakPolarHBondContact O-CB 3.42Å; E147-S151 PolarHBondContact O-N 2.97Å; E147-S151 PolarHBondContact O-OG 2.58Å; E147-Q215 VanDerWaalsContact CA-OE1 3.26Å |
| 148 | T | 93.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.9 | -43.2 | 173.8 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | L96 I111 L130 A144 A145 L146 S151 L152 | L96-T148 HydrophobicContact CD1-CG2 4.16Å; L96-T148 WeakPolarHBondContact CD1-OG1 3.44Å; I111-T148 HydrophobicContact CD1-CG2 3.84Å; I111-T148 HydrophobicContact CG2-CG2 4.31Å; L130-T148 HydrophobicContact CD1-CG2 4.44Å; L130-T148 HydrophobicContact CD2-CG2 4.06Å; A144-T148 PolarHBondContact O-N 3.2Å; A144-T148 VanDerWaalsContact O-N 3.14Å; A144-T148 PolarHBondContact O-OG1 2.94Å; A145-T148 PolarHBondContact O-N 3.11Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 3.34Å; T148-S151 PolarHBondContact O-N 3.28Å; T148-L152 WeakPolarHBondContact O-CB 3.4Å; T148-L152 PolarHBondContact O-N 3.17Å |
| 149 | A | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L130 A145 L146 S151 L152 F153 F176 V219 | L130-A149 HydrophobicContact CD1-CB 4.36Å; A145-A149 PolarHBondContact O-N 3.42Å; L146-A149 CarbonylContact O-C 3.32Å; L146-A149 PolarHBondContact O-N 2.69Å; L146-A149 VanDerWaalsContact O-N 3.16Å; A149-S151 VanDerWaalsContact C-N 3.34Å; A149-S151 PolarHBondContact O-N 3.04Å; A149-L152 WeakPolarHBondContact O-CB 3.3Å; A149-L152 PolarHBondContact O-N 2.87Å; A149-F153 HydrophobicContact CB-CD2 4.36Å; A149-F153 HydrophobicContact CB-CE2 3.91Å; A149-F153 WeakPolarHBondContact O-CD2 3.39Å; A149-F153 VanDerWaalsContact O-CG 3.25Å; A149-F153 WeakPolarHBondContact O-CG 3.35Å; A149-F153 PolarHBondContact O-N 3.26Å; A149-F176 HydrophobicContact CB-CE1 4.37Å; A149-F176 HydrophobicContact CB-CZ 3.96Å; A149-V219 HydrophobicContact CB-CG2 4.16Å |
| 150 | S | 95.2 | Very high | 92.1 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.7 | -49.1 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | L146 L152 F153 K154 E218 | L146-S150 WeakPolarHBondContact O-CB 3.23Å; L146-S150 PolarHBondContact O-N 3.4Å; S150-L152 VanDerWaalsContact C-N 3.32Å; S150-L152 PolarHBondContact O-N 2.84Å; S150-F153 PolarHBondContact O-N 3.37Å; S150-K154 WeakPolarHBondContact O-CB 3.34Å; S150-K154 PolarHBondContact O-N 3.38Å; S150-E218 WeakPolarHBondContact OG-CB 3.42Å; S150-E218 PolarHBondContact OG-OE2 3.14Å |
| 151 | S | 92.4 | Very high | 91.8 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 33% | 0.329 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.6 | -38.6 | 177 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | S108 C112 E147 T148 A149 | S108-S151 WeakPolarHBondContact OG-CB 3.24Å; S108-S151 PolarHBondContact OG-OG 2.97Å; C112-S151 VanDerWaalsContact SG-C 3.51Å; C112-S151 PolarHBondContact SG-O 3.02Å; C112-S151 VanDerWaalsContact SG-O 3.35Å; E147-S151 WeakPolarHBondContact O-CB 3.42Å; E147-S151 PolarHBondContact O-N 2.97Å; E147-S151 PolarHBondContact O-OG 2.58Å; T148-S151 PolarHBondContact O-N 3.28Å; A149-S151 VanDerWaalsContact C-N 3.34Å; A149-S151 PolarHBondContact O-N 3.04Å |
| 152 | L | 93.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.9 | -44.5 | 178.6 | 176.9 | 61.7 | 0 | 0 | 0 | 111.6 | F119 L126 T148 A149 S150 | F119-L152 HydrophobicContact CE1-CD2 4.44Å; L126-L152 HydrophobicContact CD2-CD2 3.99Å; T148-L152 WeakPolarHBondContact O-CB 3.4Å; T148-L152 PolarHBondContact O-N 3.17Å; A149-L152 WeakPolarHBondContact O-CB 3.3Å; A149-L152 PolarHBondContact O-N 2.87Å; S150-L152 VanDerWaalsContact C-N 3.32Å; S150-L152 PolarHBondContact O-N 2.84Å |
| 153 | F | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -87.5 | -14.9 | -174.9 | -53.3 | -34.2 | 0 | 0 | 0 | 113.5 | L127 A149 S150 R155 Y156 V172 F176 V219 L223 | L127-F153 HydrophobicContact CD1-CZ 3.98Å; A149-F153 HydrophobicContact CB-CD2 4.36Å; A149-F153 HydrophobicContact CB-CE2 3.91Å; A149-F153 WeakPolarHBondContact O-CD2 3.39Å; A149-F153 VanDerWaalsContact O-CG 3.25Å; A149-F153 WeakPolarHBondContact O-CG 3.35Å; A149-F153 PolarHBondContact O-N 3.26Å; S150-F153 PolarHBondContact O-N 3.37Å; F153-R155 PolarHBondContact O-N 3.22Å; F153-Y156 HydrophobicContact CB-CD2 3.79Å; F153-Y156 HydrophobicContact CB-CE2 3.71Å; F153-Y156 HydrophobicContact CD1-CD2 4.4Å; F153-Y156 AromaticContact CD1-CE2 3.46Å; F153-Y156 HydrophobicContact CD1-CE2 3.46Å; F153-Y156 VanDerWaalsContact CD1-CE2 3.46Å; F153-Y156 AromaticContact CD1-CZ 3.73Å; F153-Y156 HydrophobicContact CE1-CE2 4.37Å; F153-Y156 HydrophobicContact CG-CD2 4.38Å; F153-Y156 AromaticContact CG-CE2 3.81Å; F153-Y156 HydrophobicContact CG-CE2 3.81Å; F153-Y156 WeakPolarHBondContact O-CB 3.47Å; F153-Y156 WeakPolarHBondContact O-CD2 3.41Å; F153-Y156 PolarHBondContact O-N 2.96Å; F153-V172 HydrophobicContact CD1-CG1 4.48Å; F153-V172 HydrophobicContact CD1-CG2 4.46Å; F153-V172 HydrophobicContact CE1-CB 4.41Å; F153-V172 HydrophobicContact CE1-CG1 3.76Å; F153-V172 HydrophobicContact CE1-CG2 3.69Å; F153-V172 HydrophobicContact CE2-CG1 3.98Å; F153-V172 HydrophobicContact CZ-CG1 3.48Å; F153-V172 VanDerWaalsContact CZ-CG1 3.48Å; F153-V172 HydrophobicContact CZ-CG2 4.15Å; F153-F176 HydrophobicContact CE2-CD1 4.18Å; F153-F176 AromaticContact CE2-CE1 3.94Å; F153-F176 HydrophobicContact CE2-CE1 3.94Å; F153-F176 HydrophobicContact CE2-CZ 4.42Å; F153-V219 HydrophobicContact CD2-CG1 4.04Å; F153-V219 HydrophobicContact CE2-CG1 4.29Å; F153-L223 HydrophobicContact CD2-CD2 4.15Å; F153-L223 HydrophobicContact CG-CD2 4.29Å |
| 154 | K | 93 | Very high | 90.8 | Very high | 130 Ų | 130 | 55 Ų | 55 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -53 | -31.6 | 178 | -173.1 | 169.2 | -175.3 | 171 | 0 | 113.3 | S150 Y156 Q157 | S150-K154 WeakPolarHBondContact O-CB 3.34Å; S150-K154 PolarHBondContact O-N 3.38Å; K154-Y156 PolarHBondContact O-N 3.21Å; K154-Q157 VanDerWaalsContact O-CB 3.29Å; K154-Q157 WeakPolarHBondContact O-CB 3.49Å; K154-Q157 WeakPolarHBondContact O-CG 3.38Å; K154-Q157 PolarHBondContact O-N 2.95Å; K154-Q157 VanDerWaalsContact O-N 3.08Å |
| 155 | R | 91.2 | Very high | 90.8 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -60.6 | -26.4 | 175.9 | 73.1 | -178 | 178.2 | -164 | 8.5 | 113.5 | S115 F153 Q157 T158 E159 E168 | S115-R155 PolarHBondContact O-NH1 2.95Å; S115-R155 PolarHBondContact O-NH2 3.07Å; F153-R155 PolarHBondContact O-N 3.22Å; R155-Q157 PolarHBondContact O-N 3.42Å; R155-Q157 VanDerWaalsContact O-N 3.16Å; R155-T158 PolarHBondContact O-N 3.43Å; R155-T158 VanDerWaalsContact O-N 3.09Å; R155-T158 PolarHBondContact O-OG1 2.82Å; R155-E159 HydrophobicContact CB-CG 4.48Å; R155-E159 WeakPolarHBondContact O-CB 3.41Å; R155-E159 WeakPolarHBondContact O-CG 3.32Å; R155-E159 PolarHBondContact O-N 3.28Å; R155-E168 IonicContact CZ-OE1 3.45Å; R155-E168 IonicContact CZ-OE2 3.77Å; R155-E168 IonicContact NE-OE1 3.81Å; R155-E168 IonicContact NH2-OE1 3.79Å; R155-E168 PolarHBondContact NH2-OE1 2.9Å; R155-E168 IonicContact NH2-OE2 3.21Å; R155-E168 PolarHBondContact NH2-OE2 3.49Å |
| 156 | Y | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -63.1 | -21.3 | 177.4 | -55.6 | -20 | 0 | 0 | 0 | 111.7 | F153 K154 L165 E168 I169 L223 Q226 | F153-Y156 HydrophobicContact CB-CD2 3.79Å; F153-Y156 HydrophobicContact CB-CE2 3.71Å; F153-Y156 HydrophobicContact CD1-CD2 4.4Å; F153-Y156 AromaticContact CD1-CE2 3.46Å; F153-Y156 HydrophobicContact CD1-CE2 3.46Å; F153-Y156 VanDerWaalsContact CD1-CE2 3.46Å; F153-Y156 AromaticContact CD1-CZ 3.73Å; F153-Y156 HydrophobicContact CE1-CE2 4.37Å; F153-Y156 HydrophobicContact CG-CD2 4.38Å; F153-Y156 AromaticContact CG-CE2 3.81Å; F153-Y156 HydrophobicContact CG-CE2 3.81Å; F153-Y156 WeakPolarHBondContact O-CB 3.47Å; F153-Y156 WeakPolarHBondContact O-CD2 3.41Å; F153-Y156 PolarHBondContact O-N 2.96Å; K154-Y156 PolarHBondContact O-N 3.21Å; Y156-L165 HydrophobicContact CD1-CD1 3.58Å; Y156-L165 HydrophobicContact CE1-CD1 3.79Å; Y156-E168 WeakPolarHBondContact CE1-OE1 3.19Å; Y156-E168 VanDerWaalsContact CZ-OE1 3.32Å; Y156-E168 PolarHBondContact OH-OE1 2.91Å; Y156-I169 HydrophobicContact CD1-CD1 4.26Å; Y156-I169 HydrophobicContact CD1-CG1 4.15Å; Y156-I169 HydrophobicContact CD2-CD1 4.23Å; Y156-I169 HydrophobicContact CD2-CG1 3.91Å; Y156-I169 HydrophobicContact CE1-CG1 4.06Å; Y156-I169 HydrophobicContact CE2-CG1 3.83Å; Y156-I169 HydrophobicContact CG-CD1 4.05Å; Y156-I169 HydrophobicContact CG-CG1 4.09Å; Y156-L223 HydrophobicContact CD2-CD2 4.41Å; Y156-L223 HydrophobicContact CE2-CD2 4.17Å; Y156-Q226 WeakPolarHBondContact O-CG 3.36Å; Y156-Q226 PolarHBondContact O-NE2 3.17Å |
| 157 | Q | 91.9 | Very high | 90.5 | Very high | 72 Ų | 72 | 64 Ų | 64 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -74 | -27.6 | 177.2 | -54.9 | 171.8 | 11.7 | 0 | 0 | 112.5 | K154 R155 Y221 S222 V225 | K154-Q157 VanDerWaalsContact O-CB 3.29Å; K154-Q157 WeakPolarHBondContact O-CB 3.49Å; K154-Q157 WeakPolarHBondContact O-CG 3.38Å; K154-Q157 PolarHBondContact O-N 2.95Å; K154-Q157 VanDerWaalsContact O-N 3.08Å; R155-Q157 PolarHBondContact O-N 3.42Å; R155-Q157 VanDerWaalsContact O-N 3.16Å; Q157-Y221 HydrophobicContact CG-CD1 4.1Å; Q157-Y221 HydrophobicContact CG-CE1 4.05Å; Q157-S222 PolarHBondContact NE2-OG 3.42Å; Q157-V225 HydrophobicContact CB-CG1 4.45Å; Q157-V225 HydrophobicContact CG-CG1 4.1Å |
| 158 | T | 86 | Confident | 90.5 | Very high | 92 Ų | 92 | 63.6 Ų | 63.6 | 56% | 0.564 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -15 | -172.1 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | R155 | R155-T158 PolarHBondContact O-N 3.43Å; R155-T158 VanDerWaalsContact O-N 3.09Å; R155-T158 PolarHBondContact O-OG1 2.82Å |
| 159 | E | 83.8 | Confident | 90.6 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -77 | 143.5 | 177.7 | -75.4 | -170.4 | -174.2 | 0 | 0 | 113 | R155 L165 Q226 | R155-E159 HydrophobicContact CB-CG 4.48Å; R155-E159 WeakPolarHBondContact O-CB 3.41Å; R155-E159 WeakPolarHBondContact O-CG 3.32Å; R155-E159 PolarHBondContact O-N 3.28Å; E159-L165 HydrophobicContact CB-CD2 3.99Å; E159-Q226 PolarHBondContact O-NE2 2.86Å |
| 160 | M | 82.9 | Confident | 90.6 | Very high | 168 Ų | 168 | 70.4 Ų | 70.4 | 83% | 0.828 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -73 | 145.6 | 175.9 | -65.5 | -170.9 | -64.5 | 0 | 0 | 111 | S162 | M160-S162 PolarHBondContact O-N 3.12Š|
| 161 | K | 83.3 | Confident | 90.6 | Very high | 135 Ų | 135 | 72.7 Ų | 72.7 | 59% | 0.587 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 122.8 | 175.8 | -69.6 | 178.4 | 174.5 | -154.7 | 0 | 110.8 | W166 Q226 | K161-W166 HydrophobicContact CB-CZ2 4.13Å; K161-W166 HydrophobicContact CD-CZ2 3.97Å; K161-W166 HydrophobicContact CG-CZ2 4.07Å; K161-Q226 WeakPolarHBondContact CE-O 3.41Å; K161-Q226 PolarHBondContact NZ-O 3.24Å |
| 162 | S | 86 | Confident | 90.9 | Very high | 43 Ų | 43 | 70.4 Ų | 70.4 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | trans | -146.6 | 156.9 | 176.3 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | M160 E164 L165 W166 | M160-S162 PolarHBondContact O-N 3.12Å; S162-E164 VanDerWaalsContact C-N 3.29Å; S162-E164 PolarHBondContact O-N 3.13Å; S162-L165 PolarHBondContact O-N 2.97Å; S162-L165 WeakPolarHBondContact OG-CB 3.34Å; S162-L165 PolarHBondContact OG-N 3.15Å; S162-W166 PolarHBondContact O-N 2.95Å; S162-W166 VanDerWaalsContact O-N 3.08Å | ||
| 163 | Y | 88 | Confident | 91 | Very high | 179 Ų | 179 | 71.7 Ų | 71.7 | 70% | 0.702 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.5 | -41.1 | 178.2 | 178.7 | -101 | 0 | 0 | 0 | 111 | W166 V167 | Y163-W166 PolarHBondContact O-N 2.99Å; Y163-V167 HydrophobicContact CD1-CG2 4.16Å; Y163-V167 HydrophobicContact CE1-CG2 3.71Å; Y163-V167 HydrophobicContact CE2-CG2 4.17Å; Y163-V167 WeakPolarHBondContact O-CG2 3.46Å; Y163-V167 PolarHBondContact O-N 3.23Å |
| 164 | E | 86.7 | Confident | 91 | Very high | 139 Ų | 139 | 77.1 Ų | 77.1 | 65% | 0.65 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.5 | -46.2 | 178.8 | -63.5 | 77.7 | -171.8 | 0 | 0 | 111.7 | S162 W166 V167 E168 | S162-E164 VanDerWaalsContact C-N 3.29Å; S162-E164 PolarHBondContact O-N 3.13Å; E164-W166 VanDerWaalsContact C-N 3.35Å; E164-W166 PolarHBondContact O-N 3.4Å; E164-V167 PolarHBondContact O-N 3.36Å; E164-E168 PolarHBondContact O-N 3.49Å |
| 165 | L | 90.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 176.3 | 176.8 | 62.5 | 0 | 0 | 0 | 111.4 | Y156 E159 S162 E168 I169 | Y156-L165 HydrophobicContact CD1-CD1 3.58Å; Y156-L165 HydrophobicContact CE1-CD1 3.79Å; E159-L165 HydrophobicContact CB-CD2 3.99Å; S162-L165 PolarHBondContact O-N 2.97Å; S162-L165 WeakPolarHBondContact OG-CB 3.34Å; S162-L165 PolarHBondContact OG-N 3.15Å; L165-E168 WeakPolarHBondContact O-CB 3.22Å; L165-E168 PolarHBondContact O-N 2.86Å; L165-I169 HydrophobicContact CD1-CD1 3.95Å; L165-I169 HydrophobicContact CD1-CG1 4.2Å; L165-I169 HydrophobicContact CD2-CD1 4.4Å; L165-I169 HydrophobicContact CG-CD1 3.81Å; L165-I169 HydrophobicContact CG-CG1 4.42Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 3.02Å |
| 166 | W | 92.1 | Very high | 91.4 | Very high | 123 Ų | 123 | 71.5 Ų | 71.5 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.8 | -34.6 | -179.2 | -71.3 | -3.6 | 0 | 0 | 0 | 113.3 | K161 S162 Y163 E164 E168 I169 K170 | K161-W166 HydrophobicContact CB-CZ2 4.13Å; K161-W166 HydrophobicContact CD-CZ2 3.97Å; K161-W166 HydrophobicContact CG-CZ2 4.07Å; S162-W166 PolarHBondContact O-N 2.95Å; S162-W166 VanDerWaalsContact O-N 3.08Å; Y163-W166 PolarHBondContact O-N 2.99Å; E164-W166 VanDerWaalsContact C-N 3.35Å; E164-W166 PolarHBondContact O-N 3.4Å; W166-E168 VanDerWaalsContact C-N 3.29Å; W166-E168 PolarHBondContact O-N 3.27Å; W166-I169 PolarHBondContact O-N 3.34Å; W166-K170 VanDerWaalsContact O-CB 3.23Å; W166-K170 WeakPolarHBondContact O-CB 3.42Å; W166-K170 PolarHBondContact O-N 3.15Å |
| 167 | V | 93 | Very high | 91.5 | Very high | 61 Ų | 61 | 71.5 Ų | 71.5 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 171.9 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | Y163 E164 Y171 | Y163-V167 HydrophobicContact CD1-CG2 4.16Å; Y163-V167 HydrophobicContact CE1-CG2 3.71Å; Y163-V167 HydrophobicContact CE2-CG2 4.17Å; Y163-V167 WeakPolarHBondContact O-CG2 3.46Å; Y163-V167 PolarHBondContact O-N 3.23Å; E164-V167 PolarHBondContact O-N 3.36Å; V167-Y171 PolarHBondContact O-N 2.97Å |
| 168 | E | 94.5 | Very high | 91.8 | Very high | 18 Ų | 18 | 74.9 Ų | 74.9 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66 | -50.8 | 175.4 | 176.7 | -179 | 135.2 | 0 | 0 | 112.3 | F119 P120 R155 Y156 E164 L165 W166 K170 Y171 V172 | F119-E168 HydrophobicContact CD1-CG 3.91Å; F119-E168 HydrophobicContact CE1-CG 3.78Å; P120-E168 HydrophobicContact CG-CB 4.38Å; P120-E168 HydrophobicContact CG-CG 4.28Å; R155-E168 IonicContact CZ-OE1 3.45Å; R155-E168 IonicContact CZ-OE2 3.77Å; R155-E168 IonicContact NE-OE1 3.81Å; R155-E168 IonicContact NH2-OE1 3.79Å; R155-E168 PolarHBondContact NH2-OE1 2.9Å; R155-E168 IonicContact NH2-OE2 3.21Å; R155-E168 PolarHBondContact NH2-OE2 3.49Å; Y156-E168 WeakPolarHBondContact CE1-OE1 3.19Å; Y156-E168 VanDerWaalsContact CZ-OE1 3.32Å; Y156-E168 PolarHBondContact OH-OE1 2.91Å; E164-E168 PolarHBondContact O-N 3.49Å; L165-E168 WeakPolarHBondContact O-CB 3.22Å; L165-E168 PolarHBondContact O-N 2.86Å; W166-E168 VanDerWaalsContact C-N 3.29Å; W166-E168 PolarHBondContact O-N 3.27Å; E168-K170 VanDerWaalsContact C-N 3.25Å; E168-K170 PolarHBondContact O-N 3.34Å; E168-Y171 WeakPolarHBondContact O-CB 3.5Å; E168-Y171 PolarHBondContact O-N 3.49Å; E168-Y171 VanDerWaalsContact O-N 3.07Å; E168-V172 PolarHBondContact O-N 2.96Å |
| 169 | I | 95.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 71.3 Ų | 71.3 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 179.2 | -70.3 | 172.1 | 0 | 0 | 0 | 109.6 | Y156 L165 W166 Y171 V172 L173 Q226 | Y156-I169 HydrophobicContact CD1-CD1 4.26Å; Y156-I169 HydrophobicContact CD1-CG1 4.15Å; Y156-I169 HydrophobicContact CD2-CD1 4.23Å; Y156-I169 HydrophobicContact CD2-CG1 3.91Å; Y156-I169 HydrophobicContact CE1-CG1 4.06Å; Y156-I169 HydrophobicContact CE2-CG1 3.83Å; Y156-I169 HydrophobicContact CG-CD1 4.05Å; Y156-I169 HydrophobicContact CG-CG1 4.09Å; L165-I169 HydrophobicContact CD1-CD1 3.95Å; L165-I169 HydrophobicContact CD1-CG1 4.2Å; L165-I169 HydrophobicContact CD2-CD1 4.4Å; L165-I169 HydrophobicContact CG-CD1 3.81Å; L165-I169 HydrophobicContact CG-CG1 4.42Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 3.02Å; W166-I169 PolarHBondContact O-N 3.34Å; I169-Y171 PolarHBondContact O-N 3.41Å; I169-V172 WeakPolarHBondContact O-CB 3.47Å; I169-V172 PolarHBondContact O-N 3.23Å; I169-V172 VanDerWaalsContact O-N 3.11Å; I169-L173 HydrophobicContact CG2-CD1 3.67Å; I169-L173 HydrophobicContact CG2-CG 4.11Å; I169-L173 VanDerWaalsContact O-CG 3.23Å; I169-L173 WeakPolarHBondContact O-CG 3.46Å; I169-L173 PolarHBondContact O-N 2.71Å; I169-Q226 HydrophobicContact CD1-CB 4.26Å; I169-Q226 HydrophobicContact CD1-CG 3.96Å |
| 170 | K | 95.2 | Very high | 93 | Very high | 130 Ų | 130 | 67.9 Ų | 67.9 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.7 | -46.3 | 175.1 | -178.3 | 167.1 | -177.6 | 157.6 | 0 | 112.3 | W166 E168 V172 L173 D174 | W166-K170 VanDerWaalsContact O-CB 3.23Å; W166-K170 WeakPolarHBondContact O-CB 3.42Å; W166-K170 PolarHBondContact O-N 3.15Å; E168-K170 VanDerWaalsContact C-N 3.25Å; E168-K170 PolarHBondContact O-N 3.34Å; K170-V172 VanDerWaalsContact C-N 3.29Å; K170-V172 PolarHBondContact O-N 3.14Å; K170-L173 PolarHBondContact O-N 3.03Å; K170-D174 WeakPolarHBondContact O-CB 3.3Å; K170-D174 VanDerWaalsContact O-CG 3.23Å; K170-D174 PolarHBondContact O-N 3.39Å |
| 171 | Y | 95.8 | Very high | 93.7 | Very high | 56 Ų | 56 | 60 Ų | 60 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -42 | 175 | 172.8 | -94.6 | 0 | 0 | 0 | 112.2 | F119 P120 P124 L127 V167 E168 I169 N175 | F119-Y171 HydrophobicContact CE2-CD1 4.4Å; F119-Y171 AromaticContact CE2-CE1 3.98Å; F119-Y171 HydrophobicContact CE2-CE1 3.98Å; F119-Y171 HydrophobicContact CZ-CD1 4.02Å; F119-Y171 HydrophobicContact CZ-CE1 4.02Å; P120-Y171 HydrophobicContact CB-CD1 3.29Å; P120-Y171 HydrophobicContact CB-CD2 4.48Å; P120-Y171 HydrophobicContact CB-CE1 3.52Å; P120-Y171 HydrophobicContact CB-CG 3.82Å; P120-Y171 HydrophobicContact CG-CD1 3.96Å; P120-Y171 HydrophobicContact CG-CG 4.08Å; P124-Y171 WeakPolarHBondContact CB-OH 3.38Å; P124-Y171 PolarHBondContact O-OH 3.37Å; P124-Y171 VanDerWaalsContact O-OH 3.07Å; L127-Y171 HydrophobicContact CB-CE1 4.4Å; L127-Y171 HydrophobicContact CD2-CD1 4.21Å; L127-Y171 HydrophobicContact CD2-CE1 3.79Å; V167-Y171 PolarHBondContact O-N 2.97Å; E168-Y171 WeakPolarHBondContact O-CB 3.5Å; E168-Y171 PolarHBondContact O-N 3.49Å; E168-Y171 VanDerWaalsContact O-N 3.07Å; I169-Y171 PolarHBondContact O-N 3.41Å; Y171-N175 WeakPolarHBondContact O-CB 3.45Å; Y171-N175 PolarHBondContact O-N 2.89Å; Y171-N175 PolarHBondContact O-ND2 3.44Å |
| 172 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 175.9 | 175 | 0 | 0 | 0 | 0 | 110.6 | F119 F153 E168 I169 K170 D174 N175 F176 L223 | F119-V172 HydrophobicContact CE1-CG2 3.64Å; F119-V172 HydrophobicContact CZ-CG2 3.68Å; F153-V172 HydrophobicContact CD1-CG1 4.48Å; F153-V172 HydrophobicContact CD1-CG2 4.46Å; F153-V172 HydrophobicContact CE1-CB 4.41Å; F153-V172 HydrophobicContact CE1-CG1 3.76Å; F153-V172 HydrophobicContact CE1-CG2 3.69Å; F153-V172 HydrophobicContact CE2-CG1 3.98Å; F153-V172 HydrophobicContact CZ-CG1 3.48Å; F153-V172 VanDerWaalsContact CZ-CG1 3.48Å; F153-V172 HydrophobicContact CZ-CG2 4.15Å; E168-V172 PolarHBondContact O-N 2.96Å; I169-V172 WeakPolarHBondContact O-CB 3.47Å; I169-V172 PolarHBondContact O-N 3.23Å; I169-V172 VanDerWaalsContact O-N 3.11Å; K170-V172 VanDerWaalsContact C-N 3.29Å; K170-V172 PolarHBondContact O-N 3.14Å; V172-D174 PolarHBondContact O-N 3.09Å; V172-N175 PolarHBondContact O-N 3.49Å; V172-F176 HydrophobicContact CG1-CB 4.11Å; V172-F176 WeakPolarHBondContact O-CA 3.49Å; V172-F176 WeakPolarHBondContact O-CB 3.46Å; V172-F176 PolarHBondContact O-N 2.89Å; V172-L223 HydrophobicContact CG1-CD2 3.69Å |
| 173 | L | 96.7 | Very high | 95 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -49.3 | -179 | -68.7 | 165.9 | 0 | 0 | 0 | 111.8 | I169 K170 N175 S177 L223 P229 F232 | I169-L173 HydrophobicContact CG2-CD1 3.67Å; I169-L173 HydrophobicContact CG2-CG 4.11Å; I169-L173 VanDerWaalsContact O-CG 3.23Å; I169-L173 WeakPolarHBondContact O-CG 3.46Å; I169-L173 PolarHBondContact O-N 2.71Å; K170-L173 PolarHBondContact O-N 3.03Å; L173-N175 PolarHBondContact O-N 2.81Å; L173-N175 VanDerWaalsContact O-N 3.17Å; L173-S177 WeakPolarHBondContact CA-OG 3.32Å; L173-S177 WeakPolarHBondContact CD2-OG 3.41Å; L173-S177 WeakPolarHBondContact O-CB 3.3Å; L173-S177 PolarHBondContact O-N 3.09Å; L173-S177 PolarHBondContact O-OG 3.41Å; L173-S177 VanDerWaalsContact O-OG 3.05Å; L173-L223 HydrophobicContact CD2-CB 4.32Å; L173-P229 HydrophobicContact CD1-CB 3.71Å; L173-P229 HydrophobicContact CD1-CG 3.77Å; L173-P229 HydrophobicContact CD2-CB 3.7Å; L173-P229 HydrophobicContact CD2-CG 3.57Å; L173-P229 HydrophobicContact CG-CB 4.3Å; L173-P229 HydrophobicContact CG-CG 4.32Å; L173-F232 HydrophobicContact CD2-CD2 4.22Å; L173-F232 HydrophobicContact CD2-CE2 3.73Å |
| 174 | D | 95.8 | Very high | 95.4 | Very high | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.1 | -27 | -178.3 | -69.6 | -15 | 0 | 0 | 0 | 112.7 | K170 V172 | K170-D174 WeakPolarHBondContact O-CB 3.3Å; K170-D174 VanDerWaalsContact O-CG 3.23Å; K170-D174 PolarHBondContact O-N 3.39Å; V172-D174 PolarHBondContact O-N 3.09Å |
| 175 | N | 95.1 | Very high | 96 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -110.4 | -16.1 | -172.3 | -70.9 | -82.6 | 0 | 0 | 0 | 114.4 | L127 K131 Y171 V172 L173 | L127-N175 HydrophobicContact CD2-CB 3.54Å; K131-N175 PolarHBondContact NZ-O 2.98Å; Y171-N175 WeakPolarHBondContact O-CB 3.45Å; Y171-N175 PolarHBondContact O-N 2.89Å; Y171-N175 PolarHBondContact O-ND2 3.44Å; V172-N175 PolarHBondContact O-N 3.49Å; L173-N175 PolarHBondContact O-N 2.81Å; L173-N175 VanDerWaalsContact O-N 3.17Å |
| 176 | F | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -122.5 | -32.2 | -167.9 | -154.4 | -109.3 | 0 | 0 | 0 | 114.6 | L127 K131 F134 A149 F153 V172 E178 A179 L180 V219 | L127-F176 HydrophobicContact CD1-CB 4.11Å; L127-F176 HydrophobicContact CD1-CD2 3.3Å; L127-F176 HydrophobicContact CD1-CE2 3.72Å; L127-F176 HydrophobicContact CD1-CG 3.83Å; L127-F176 HydrophobicContact CD2-CB 4.31Å; L127-F176 HydrophobicContact CG-CB 4.45Å; L127-F176 HydrophobicContact CG-CD2 3.86Å; K131-F176 HydrophobicContact CB-CD2 4.41Å; K131-F176 HydrophobicContact CB-CE2 4.35Å; F134-F176 HydrophobicContact CE1-CZ 4.47Å; F134-F176 HydrophobicContact CE2-CE1 4.24Å; F134-F176 AromaticContact CE2-CE2 3.83Å; F134-F176 HydrophobicContact CE2-CE2 3.83Å; F134-F176 AromaticContact CE2-CZ 3.68Å; F134-F176 HydrophobicContact CE2-CZ 3.68Å; F134-F176 HydrophobicContact CZ-CE1 4.1Å; F134-F176 AromaticContact CZ-CE2 3.79Å; F134-F176 HydrophobicContact CZ-CE2 3.79Å; F134-F176 AromaticContact CZ-CZ 3.34Å; F134-F176 HydrophobicContact CZ-CZ 3.34Å; A149-F176 HydrophobicContact CB-CE1 4.37Å; A149-F176 HydrophobicContact CB-CZ 3.96Å; F153-F176 HydrophobicContact CE2-CD1 4.18Å; F153-F176 AromaticContact CE2-CE1 3.94Å; F153-F176 HydrophobicContact CE2-CE1 3.94Å; F153-F176 HydrophobicContact CE2-CZ 4.42Å; V172-F176 HydrophobicContact CG1-CB 4.11Å; V172-F176 WeakPolarHBondContact O-CA 3.49Å; V172-F176 WeakPolarHBondContact O-CB 3.46Å; V172-F176 PolarHBondContact O-N 2.89Å; F176-E178 PolarHBondContact O-N 3.07Å; F176-A179 PolarHBondContact O-N 3.33Å; F176-L180 HydrophobicContact CD1-CB 4.36Å; F176-L180 HydrophobicContact CE1-CD1 4.32Å; F176-L180 WeakPolarHBondContact O-CB 3.49Å; F176-L180 PolarHBondContact O-N 2.88Å; F176-V219 HydrophobicContact CE1-CG1 4.1Å |
| 177 | S | 97 | Very high | 96.6 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | -170.3 | -61 | 0 | 0 | 0 | 0 | 114 | L173 T181 Y231 | L173-S177 WeakPolarHBondContact CA-OG 3.32Å; L173-S177 WeakPolarHBondContact CD2-OG 3.41Å; L173-S177 WeakPolarHBondContact O-CB 3.3Å; L173-S177 PolarHBondContact O-N 3.09Å; L173-S177 PolarHBondContact O-OG 3.41Å; L173-S177 VanDerWaalsContact O-OG 3.05Å; S177-T181 WeakPolarHBondContact O-CB 3.26Å; S177-T181 PolarHBondContact O-N 2.7Å; S177-T181 PolarHBondContact O-OG1 3.24Å; S177-Y231 VanDerWaalsContact CB-CD1 3.42Å |
| 178 | E | 97.2 | Very high | 96.8 | Very high | 142 Ų | 142 | 38.8 Ų | 38.8 | 66% | 0.664 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63.5 | -46.3 | 176.4 | -172.7 | -175.4 | -179.6 | 0 | 0 | 111.8 | F176 L180 T181 A182 Y231 | F176-E178 PolarHBondContact O-N 3.07Å; E178-L180 PolarHBondContact O-N 2.62Å; E178-T181 PolarHBondContact O-N 3.42Å; E178-A182 WeakPolarHBondContact O-CB 3.46Å; E178-A182 PolarHBondContact O-N 2.72Å; E178-Y231 WeakPolarHBondContact CA-OH 3.41Å; E178-Y231 HydrophobicContact CB-CE2 4.07Å |
| 179 | A | 97.1 | Very high | 96.8 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | K131 F134 F176 T181 A182 L183 | K131-A179 HydrophobicContact CD-CB 3.93Å; K131-A179 HydrophobicContact CG-CB 3.88Å; F134-A179 HydrophobicContact CD2-CB 4.25Å; F176-A179 PolarHBondContact O-N 3.33Å; A179-T181 VanDerWaalsContact C-N 3.35Å; A179-A182 PolarHBondContact O-N 2.69Å; A179-L183 VanDerWaalsContact O-CB 3.3Å; A179-L183 WeakPolarHBondContact O-CB 3.21Å; A179-L183 PolarHBondContact O-N 3.18Å |
| 180 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.9 | -174.2 | 70.9 | 0 | 0 | 0 | 111.2 | L146 F176 E178 L183 M184 V216 V219 L223 F232 W239 | L146-L180 HydrophobicContact CD2-CD1 4.05Å; F176-L180 HydrophobicContact CD1-CB 4.36Å; F176-L180 HydrophobicContact CE1-CD1 4.32Å; F176-L180 WeakPolarHBondContact O-CB 3.49Å; F176-L180 PolarHBondContact O-N 2.88Å; E178-L180 PolarHBondContact O-N 2.62Å; L180-L183 PolarHBondContact O-N 3Å; L180-M184 WeakPolarHBondContact O-CB 3.48Å; L180-M184 PolarHBondContact O-N 3.4Å; L180-V216 HydrophobicContact CD1-CB 4.41Å; L180-V216 HydrophobicContact CD1-CG1 4.1Å; L180-V216 HydrophobicContact CD1-CG2 4.14Å; L180-V216 HydrophobicContact CG-CG1 4.37Å; L180-V219 HydrophobicContact CD1-CB 4.42Å; L180-V219 HydrophobicContact CD1-CG1 4.07Å; L180-V219 HydrophobicContact CD2-CB 4.36Å; L180-V219 HydrophobicContact CD2-CG1 3.59Å; L180-V219 HydrophobicContact CG-CG1 4.48Å; L180-L223 HydrophobicContact CD2-CD1 4.28Å; L180-F232 HydrophobicContact CD2-CZ 4.34Å; L180-W239 HydrophobicContact CD2-CH2 4.27Å; L180-W239 HydrophobicContact CD2-CZ2 4.4Å; L180-W239 HydrophobicContact CG-CH2 4.16Å; L180-W239 HydrophobicContact CG-CZ2 4.35Å |
| 181 | T | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 178.7 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | S177 E178 A179 M184 K185 Y231 T238 W239 | S177-T181 WeakPolarHBondContact O-CB 3.26Å; S177-T181 PolarHBondContact O-N 2.7Å; S177-T181 PolarHBondContact O-OG1 3.24Å; E178-T181 PolarHBondContact O-N 3.42Å; A179-T181 VanDerWaalsContact C-N 3.35Å; T181-M184 HydrophobicContact CG2-CE 4.49Å; T181-M184 PolarHBondContact O-N 3.13Å; T181-K185 WeakPolarHBondContact O-CG 3.32Å; T181-K185 PolarHBondContact O-N 2.82Å; T181-Y231 VanDerWaalsContact OG1-CE1 3.3Å; T181-Y231 WeakPolarHBondContact OG1-CE1 3.44Å; T181-T238 HydrophobicContact CG2-CG2 4.01Å; T181-W239 HydrophobicContact CG2-CZ2 4.38Å; T181-W239 WeakPolarHBondContact OG1-CZ2 3.31Å; T181-W239 PolarHBondContact OG1-NE1 3.1Å; T181-W239 VanDerWaalsContact OG1-NE1 3.14Å |
| 182 | A | 97.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 38.4 Ų | 38.4 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E178 A179 K185 R186 | E178-A182 WeakPolarHBondContact O-CB 3.46Å; E178-A182 PolarHBondContact O-N 2.72Å; A179-A182 PolarHBondContact O-N 2.69Å; A182-K185 PolarHBondContact O-N 2.88Å; A182-R186 PolarHBondContact O-N 3.36Å; A182-R186 VanDerWaalsContact O-N 3.07Å |
| 183 | L | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -46.9 | 174.3 | 175.3 | 62.9 | 0 | 0 | 0 | 111.3 | F134 V142 L146 A179 L180 K185 R186 L187 V216 | F134-L183 HydrophobicContact CB-CD1 4.48Å; F134-L183 HydrophobicContact CB-CD2 4.2Å; F134-L183 HydrophobicContact CD1-CD2 3.84Å; F134-L183 HydrophobicContact CD2-CB 4.45Å; F134-L183 HydrophobicContact CD2-CD2 3.87Å; F134-L183 HydrophobicContact CE1-CD2 4.05Å; F134-L183 HydrophobicContact CE2-CD2 4.07Å; F134-L183 HydrophobicContact CG-CD2 3.73Å; F134-L183 HydrophobicContact CZ-CD2 4.13Å; V142-L183 HydrophobicContact CG1-CD1 3.99Å; V142-L183 HydrophobicContact CG1-CD2 4.11Å; L146-L183 HydrophobicContact CD1-CD2 3.98Å; L146-L183 HydrophobicContact CD2-CD2 3.96Å; L146-L183 HydrophobicContact CG-CD2 4.23Å; A179-L183 VanDerWaalsContact O-CB 3.3Å; A179-L183 WeakPolarHBondContact O-CB 3.21Å; A179-L183 PolarHBondContact O-N 3.18Å; L180-L183 PolarHBondContact O-N 3Å; L183-K185 VanDerWaalsContact C-N 3.34Å; L183-K185 PolarHBondContact O-N 2.64Å; L183-R186 PolarHBondContact O-N 3.21Å; L183-L187 HydrophobicContact CD1-CD1 3.84Å; L183-L187 HydrophobicContact CD1-CD2 4.34Å; L183-L187 HydrophobicContact CD1-CG 3.87Å; L183-L187 HydrophobicContact CD2-CD1 4.5Å; L183-L187 HydrophobicContact CG-CD1 3.81Å; L183-L187 HydrophobicContact CG-CG 4.26Å; L183-L187 WeakPolarHBondContact O-CB 3.49Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.35Å; L183-L187 PolarHBondContact O-N 3.34Å; L183-V216 HydrophobicContact CD2-CG2 4.2Å; L183-V216 HydrophobicContact CG-CG2 4.47Å |
| 184 | M | 98.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.7 | -50.9 | 176 | -179.9 | -81.9 | -70.4 | 0 | 0 | 111.2 | L180 T181 R186 L187 V188 V216 T238 W239 A242 | L180-M184 WeakPolarHBondContact O-CB 3.48Å; L180-M184 PolarHBondContact O-N 3.4Å; T181-M184 HydrophobicContact CG2-CE 4.49Å; T181-M184 PolarHBondContact O-N 3.13Å; M184-R186 PolarHBondContact O-N 2.88Å; M184-L187 PolarHBondContact O-N 3.23Å; M184-V188 WeakPolarHBondContact O-CG2 3.4Å; M184-V188 PolarHBondContact O-N 3.01Å; M184-V188 HydrophobicContact SD-CG2 3.95Å; M184-V216 HydrophobicContact CB-CG1 3.9Å; M184-V216 HydrophobicContact CG-CG1 4.16Å; M184-T238 HydrophobicContact CE-CG2 3.86Å; M184-W239 HydrophobicContact CB-CH2 3.77Å; M184-W239 HydrophobicContact CB-CZ2 4.35Å; M184-W239 HydrophobicContact CB-CZ3 4.04Å; M184-W239 HydrophobicContact CE-CD2 3.92Å; M184-W239 HydrophobicContact CE-CE3 3.95Å; M184-W239 HydrophobicContact CE-CG 4.42Å; M184-W239 HydrophobicContact CE-CZ2 4.48Å; M184-W239 HydrophobicContact CE-CZ3 4.27Å; M184-W239 HydrophobicContact CG-CE3 4.16Å; M184-W239 HydrophobicContact CG-CH2 3.92Å; M184-W239 HydrophobicContact CG-CZ3 3.63Å; M184-A242 HydrophobicContact CE-CB 3.73Å; M184-A242 HydrophobicContact SD-CB 3.28Å; M184-A242 WeakPolarHBondContact SD-CB 3.29Å |
| 185 | K | 98 | Very high | 95.2 | Very high | 85 Ų | 85 | 37.8 Ų | 37.8 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.4 | -50.9 | 178.5 | -72.7 | 175.3 | -178.4 | 176 | 0 | 111.5 | T181 A182 L183 L187 V188 E189 T238 | T181-K185 WeakPolarHBondContact O-CG 3.32Å; T181-K185 PolarHBondContact O-N 2.82Å; A182-K185 PolarHBondContact O-N 2.88Å; L183-K185 VanDerWaalsContact C-N 3.34Å; L183-K185 PolarHBondContact O-N 2.64Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 3.2Å; K185-V188 PolarHBondContact O-N 3.38Å; K185-E189 WeakPolarHBondContact O-CB 3.23Å; K185-E189 WeakPolarHBondContact O-CG 3.47Å; K185-E189 PolarHBondContact O-N 3.48Å; K185-T238 HydrophobicContact CD-CG2 4.4Å; K185-T238 HydrophobicContact CG-CG2 4.41Å |
| 186 | R | 97 | Very high | 94.6 | Very high | 78 Ų | 78 | 39.6 Ų | 39.6 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -41 | 179.9 | 176.2 | 167.1 | 49.1 | 92.1 | -0.6 | 112.6 | F134 A182 L183 M184 S190 | F134-R186 PolarHBondContact O-NH1 2.9Å; F134-R186 PolarHBondContact O-NH2 3.46Å; A182-R186 PolarHBondContact O-N 3.36Å; A182-R186 VanDerWaalsContact O-N 3.07Å; L183-R186 PolarHBondContact O-N 3.21Å; M184-R186 PolarHBondContact O-N 2.88Å; R186-S190 VanDerWaalsContact O-CB 3.25Å; R186-S190 WeakPolarHBondContact O-CB 3.31Å; R186-S190 PolarHBondContact O-N 3.14Å |
| 187 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 177.5 | -69.1 | 173.4 | 0 | 0 | 0 | 111.5 | Y139 L183 M184 K185 S190 V191 T209 C212 L213 V216 | Y139-L187 HydrophobicContact CD1-CD2 4Å; Y139-L187 HydrophobicContact CE1-CD2 3.63Å; L183-L187 HydrophobicContact CD1-CD1 3.84Å; L183-L187 HydrophobicContact CD1-CD2 4.34Å; L183-L187 HydrophobicContact CD1-CG 3.87Å; L183-L187 HydrophobicContact CD2-CD1 4.5Å; L183-L187 HydrophobicContact CG-CD1 3.81Å; L183-L187 HydrophobicContact CG-CG 4.26Å; L183-L187 WeakPolarHBondContact O-CB 3.49Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.35Å; L183-L187 PolarHBondContact O-N 3.34Å; M184-L187 PolarHBondContact O-N 3.23Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 3.2Å; L187-S190 WeakPolarHBondContact O-CB 3.26Å; L187-S190 PolarHBondContact O-N 2.81Å; L187-V191 WeakPolarHBondContact O-CG2 3.46Å; L187-V191 PolarHBondContact O-N 3.39Å; L187-T209 HydrophobicContact CB-CG2 4.24Å; L187-T209 HydrophobicContact CD2-CG2 3.79Å; L187-C212 HydrophobicContact CD1-CB 3.64Å; L187-C212 HydrophobicContact CD2-CB 4.1Å; L187-L213 HydrophobicContact CB-CD1 4.41Å; L187-L213 HydrophobicContact CB-CD2 3.49Å; L187-L213 VanDerWaalsContact CB-CD2 3.49Å; L187-L213 HydrophobicContact CB-CG 3.85Å; L187-L213 HydrophobicContact CD1-CD2 3.91Å; L187-L213 HydrophobicContact CD1-CG 4.23Å; L187-L213 HydrophobicContact CG-CD2 4.37Å; L187-V216 HydrophobicContact CD1-CG2 4.1Å |
| 188 | V | 97.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 174.9 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | M184 K185 S190 V191 V192 L213 A242 T245 Q246 W249 | M184-V188 WeakPolarHBondContact O-CG2 3.4Å; M184-V188 PolarHBondContact O-N 3.01Å; M184-V188 HydrophobicContact SD-CG2 3.95Å; K185-V188 PolarHBondContact O-N 3.38Å; V188-S190 VanDerWaalsContact C-N 3.29Å; V188-S190 PolarHBondContact O-N 3.36Å; V188-V191 PolarHBondContact O-N 2.8Å; V188-V192 WeakPolarHBondContact O-CG2 3.48Å; V188-V192 PolarHBondContact O-N 2.65Å; V188-L213 HydrophobicContact CG2-CD1 4.45Å; V188-L213 HydrophobicContact CG2-CD2 4.17Å; V188-A242 HydrophobicContact CG2-CB 4.46Å; V188-T245 HydrophobicContact CG1-CG2 4.44Å; V188-Q246 HydrophobicContact CG2-CG 4.12Å; V188-W249 HydrophobicContact CG1-CZ2 4.13Å; V188-W249 HydrophobicContact CG2-CH2 4.41Å |
| 189 | E | 95.3 | Very high | 90.4 | Very high | 131 Ų | 131 | 49.2 Ų | 49.2 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.9 | -40.5 | 176.1 | -73.6 | 171 | -174.5 | 0 | 0 | 111.7 | K185 V192 S193 | K185-E189 WeakPolarHBondContact O-CB 3.23Å; K185-E189 WeakPolarHBondContact O-CG 3.47Å; K185-E189 PolarHBondContact O-N 3.48Å; E189-V192 PolarHBondContact O-N 3.45Å; E189-S193 WeakPolarHBondContact O-CB 3.45Å; E189-S193 PolarHBondContact O-N 2.9Å; E189-S193 PolarHBondContact O-OG 3.31Å |
| 190 | S | 93.4 | Very high | 89.3 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 174.7 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | Y139 R186 L187 V188 V192 S193 Q194 | Y139-S190 PolarHBondContact OH-OG 3.31Å; R186-S190 VanDerWaalsContact O-CB 3.25Å; R186-S190 WeakPolarHBondContact O-CB 3.31Å; R186-S190 PolarHBondContact O-N 3.14Å; L187-S190 WeakPolarHBondContact O-CB 3.26Å; L187-S190 PolarHBondContact O-N 2.81Å; V188-S190 VanDerWaalsContact C-N 3.29Å; V188-S190 PolarHBondContact O-N 3.36Å; S190-V192 PolarHBondContact O-N 2.99Å; S190-S193 PolarHBondContact O-N 3.36Å; S190-S193 PolarHBondContact O-OG 2.89Å; S190-Q194 WeakPolarHBondContact O-CB 3.38Å; S190-Q194 VanDerWaalsContact O-CG 3.24Å; S190-Q194 WeakPolarHBondContact O-CG 3.37Å; S190-Q194 PolarHBondContact O-N 3.34Å; S190-Q194 PolarHBondContact O-NE2 3.12Å; S190-Q194 PolarHBondContact OG-NE2 2.91Å |
| 191 | V | 93.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | L187 V188 S193 Q194 T195 L206 T209 I210 L213 W249 F251 | L187-V191 WeakPolarHBondContact O-CG2 3.46Å; L187-V191 PolarHBondContact O-N 3.39Å; V188-V191 PolarHBondContact O-N 2.8Å; V191-S193 PolarHBondContact O-N 2.89Å; V191-Q194 PolarHBondContact O-N 3.14Å; V191-T195 HydrophobicContact CG1-CG2 4.33Å; V191-T195 WeakPolarHBondContact O-CB 3.41Å; V191-T195 VanDerWaalsContact O-CG2 3.23Å; V191-T195 WeakPolarHBondContact O-CG2 3.25Å; V191-T195 PolarHBondContact O-N 3.05Å; V191-T195 VanDerWaalsContact O-N 3.09Å; V191-T195 PolarHBondContact O-OG1 3.05Å; V191-L206 HydrophobicContact CB-CD1 4.33Å; V191-L206 HydrophobicContact CG1-CD1 3.89Å; V191-L206 HydrophobicContact CG2-CD1 4.07Å; V191-T209 HydrophobicContact CG2-CG2 3.65Å; V191-I210 HydrophobicContact CG2-CG1 4.06Å; V191-L213 HydrophobicContact CG2-CD1 4.21Å; V191-W249 HydrophobicContact CB-CH2 3.63Å; V191-W249 HydrophobicContact CB-CZ2 3.77Å; V191-W249 HydrophobicContact CB-CZ3 4.29Å; V191-W249 HydrophobicContact CG1-CD2 4.1Å; V191-W249 HydrophobicContact CG1-CE3 4.09Å; V191-W249 HydrophobicContact CG1-CH2 3.54Å; V191-W249 HydrophobicContact CG1-CZ2 3.55Å; V191-W249 HydrophobicContact CG1-CZ3 3.82Å; V191-W249 HydrophobicContact CG2-CH2 3.88Å; V191-W249 HydrophobicContact CG2-CZ3 4.29Å; V191-F251 HydrophobicContact CG1-CZ 3.88Å |
| 192 | V | 92 | Very high | 88.1 | Confident | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 179 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | V188 E189 S190 T195 S196 W249 | V188-V192 WeakPolarHBondContact O-CG2 3.48Å; V188-V192 PolarHBondContact O-N 2.65Å; E189-V192 PolarHBondContact O-N 3.45Å; S190-V192 PolarHBondContact O-N 2.99Å; V192-T195 PolarHBondContact O-N 3.49Å; V192-T195 PolarHBondContact O-OG1 3.46Å; V192-S196 VanDerWaalsContact O-CB 3.27Å; V192-S196 WeakPolarHBondContact O-CB 3.43Å; V192-S196 PolarHBondContact O-N 3.4Å; V192-S196 PolarHBondContact O-OG 3.36Å; V192-W249 HydrophobicContact CG2-CZ2 4.34Å |
| 193 | S | 89.6 | Confident | 87.6 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 177.3 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | E189 S190 V191 T195 S196 | E189-S193 WeakPolarHBondContact O-CB 3.45Å; E189-S193 PolarHBondContact O-N 2.9Å; E189-S193 PolarHBondContact O-OG 3.31Å; S190-S193 PolarHBondContact O-N 3.36Å; S190-S193 PolarHBondContact O-OG 2.89Å; V191-S193 PolarHBondContact O-N 2.89Å; S193-T195 VanDerWaalsContact C-N 3.29Å; S193-T195 PolarHBondContact O-N 3.4Å; S193-S196 PolarHBondContact O-OG 2.93Å |
| 194 | Q | 87.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.2 | -28.4 | 179 | -71.4 | 175.4 | 61.3 | 0 | 0 | 112.7 | S190 V191 V201 T209 | S190-Q194 WeakPolarHBondContact O-CB 3.38Å; S190-Q194 VanDerWaalsContact O-CG 3.24Å; S190-Q194 WeakPolarHBondContact O-CG 3.37Å; S190-Q194 PolarHBondContact O-N 3.34Å; S190-Q194 PolarHBondContact O-NE2 3.12Å; S190-Q194 PolarHBondContact OG-NE2 2.91Å; V191-Q194 PolarHBondContact O-N 3.14Å; Q194-V201 WeakPolarHBondContact O-CG2 3.34Å; Q194-T209 PolarHBondContact NE2-OG1 3.31Å |
| 195 | T | 86.9 | Confident | 86.8 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -101.9 | -16.1 | -172.3 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | V191 V192 S193 L206 F251 I255 | V191-T195 HydrophobicContact CG1-CG2 4.33Å; V191-T195 WeakPolarHBondContact O-CB 3.41Å; V191-T195 VanDerWaalsContact O-CG2 3.23Å; V191-T195 WeakPolarHBondContact O-CG2 3.25Å; V191-T195 PolarHBondContact O-N 3.05Å; V191-T195 VanDerWaalsContact O-N 3.09Å; V191-T195 PolarHBondContact O-OG1 3.05Å; V192-T195 PolarHBondContact O-N 3.49Å; V192-T195 PolarHBondContact O-OG1 3.46Å; S193-T195 VanDerWaalsContact C-N 3.29Å; S193-T195 PolarHBondContact O-N 3.4Å; T195-L206 HydrophobicContact CG2-CD1 4.28Å; T195-L206 HydrophobicContact CG2-CD2 4.18Å; T195-F251 HydrophobicContact CG2-CD1 4.08Å; T195-F251 HydrophobicContact CG2-CE1 3.47Å; T195-F251 VanDerWaalsContact CG2-CE1 3.47Å; T195-F251 HydrophobicContact CG2-CZ 3.97Å; T195-I255 HydrophobicContact CG2-CD1 3.89Å |
| 196 | S | 82.5 | Confident | 86.5 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -82.5 | -26.1 | 178.7 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | V192 S193 | V192-S196 VanDerWaalsContact O-CB 3.27Å; V192-S196 WeakPolarHBondContact O-CB 3.43Å; V192-S196 PolarHBondContact O-N 3.4Å; V192-S196 PolarHBondContact O-OG 3.36Å; S193-S196 PolarHBondContact O-OG 2.93Å |
| 197 | T | 70.3 | Confident | 86.3 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -76.7 | 133.8 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | G199 | T197-G199 PolarHBondContact O-N 3.12Š|
| 198 | Q | 63.8 | Low | 86.1 | Confident | 211 Ų | 211 | 63.2 Ų | 63.2 | 99% | 0.986 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -67.9 | 6.6 | 174.4 | -66.2 | -176.6 | -6.7 | 0 | 0 | 114.3 | ||
| 199 | G | 67.1 | Low | 86 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -82.9 | 178.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T197 V201 | T197-G199 PolarHBondContact O-N 3.12Å; G199-V201 PolarHBondContact O-N 3.39Å |
| 200 | S | 74.3 | Confident | 86 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 90% | 0.902 | 34% | 0.342 | S | S | * | . | trans | -65.4 | 112.3 | 173 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 201 | V | 82.9 | Confident | 86.1 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | trans | -75.4 | 127.8 | 176.5 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | Q194 G199 V203 L206 I255 | Q194-V201 WeakPolarHBondContact O-CG2 3.34Å; G199-V201 PolarHBondContact O-N 3.39Å; V201-V203 PolarHBondContact O-N 2.86Å; V201-L206 HydrophobicContact CG1-CD2 3.96Å; V201-I255 HydrophobicContact CB-CD1 4.22Å; V201-I255 HydrophobicContact CB-CG1 4.31Å; V201-I255 HydrophobicContact CG1-CD1 4.08Å; V201-I255 HydrophobicContact CG2-CD1 3.77Å; V201-I255 HydrophobicContact CG2-CG1 4.01Å | ||
| 202 | D | 87.1 | Confident | 86.3 | Confident | 83 Ų | 83 | 58.8 Ų | 58.8 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | trans | -73.3 | 94.3 | 168.3 | -179.9 | 4 | 0 | 0 | 0 | 109.9 | T204 T205 L206 | D202-T204 PolarHBondContact O-N 3.12Å; D202-T204 WeakPolarHBondContact OD1-CB 3.5Å; D202-T204 PolarHBondContact OD1-N 3.45Å; D202-T205 PolarHBondContact O-N 3.23Å; D202-T205 PolarHBondContact OD1-N 2.9Å; D202-T205 VanDerWaalsContact OD2-CB 3.31Å; D202-T205 WeakPolarHBondContact OD2-CB 3.36Å; D202-T205 PolarHBondContact OD2-OG1 3.28Å; D202-L206 WeakPolarHBondContact O-CB 3.38Å; D202-L206 PolarHBondContact O-N 3.46Å | ||
| 203 | V | 87.8 | Confident | 86.6 | Confident | 45 Ų | 45 | 56 Ų | 56 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.3 | -29.3 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | V201 K207 I255 M257 | V201-V203 PolarHBondContact O-N 2.86Å; V203-K207 HydrophobicContact CG1-CD 4.22Å; V203-K207 HydrophobicContact CG1-CG 4.44Å; V203-K207 WeakPolarHBondContact O-CB 3.38Å; V203-K207 VanDerWaalsContact O-CG 3.23Å; V203-K207 WeakPolarHBondContact O-CG 3.4Å; V203-K207 PolarHBondContact O-N 3.41Å; V203-I255 HydrophobicContact CG2-CG2 3.9Å; V203-M257 HydrophobicContact CG1-SD 4.1Å |
| 204 | T | 89.2 | Confident | 87 | Confident | 110 Ų | 110 | 53.4 Ų | 53.4 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.8 | -49 | -179.5 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | D202 L206 K207 G208 | D202-T204 PolarHBondContact O-N 3.12Å; D202-T204 WeakPolarHBondContact OD1-CB 3.5Å; D202-T204 PolarHBondContact OD1-N 3.45Å; T204-L206 VanDerWaalsContact C-N 3.34Å; T204-L206 PolarHBondContact O-N 2.91Å; T204-K207 PolarHBondContact O-N 2.89Å; T204-G208 PolarHBondContact O-N 3.36Å |
| 205 | T | 90.2 | Very high | 87.5 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 176.4 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | Y139 D202 K207 G208 T209 | Y139-T205 HydrophobicContact CD2-CG2 4.03Å; Y139-T205 HydrophobicContact CE2-CG2 3.64Å; D202-T205 PolarHBondContact O-N 3.23Å; D202-T205 PolarHBondContact OD1-N 2.9Å; D202-T205 VanDerWaalsContact OD2-CB 3.31Å; D202-T205 WeakPolarHBondContact OD2-CB 3.36Å; D202-T205 PolarHBondContact OD2-OG1 3.28Å; T205-K207 PolarHBondContact O-N 2.87Å; T205-G208 PolarHBondContact O-N 3.42Å; T205-T209 PolarHBondContact O-N 3.45Å; T205-T209 PolarHBondContact O-OG1 3.37Å |
| 206 | L | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.8 | -179.7 | 57.6 | 0 | 0 | 0 | 111.8 | V191 T195 V201 D202 T204 G208 T209 I210 I255 M257 | V191-L206 HydrophobicContact CB-CD1 4.33Å; V191-L206 HydrophobicContact CG1-CD1 3.89Å; V191-L206 HydrophobicContact CG2-CD1 4.07Å; T195-L206 HydrophobicContact CG2-CD1 4.28Å; T195-L206 HydrophobicContact CG2-CD2 4.18Å; V201-L206 HydrophobicContact CG1-CD2 3.96Å; D202-L206 WeakPolarHBondContact O-CB 3.38Å; D202-L206 PolarHBondContact O-N 3.46Å; T204-L206 VanDerWaalsContact C-N 3.34Å; T204-L206 PolarHBondContact O-N 2.91Å; L206-G208 PolarHBondContact O-N 3.1Å; L206-T209 PolarHBondContact O-N 2.88Å; L206-I210 HydrophobicContact CD1-CD1 3.97Å; L206-I210 HydrophobicContact CD1-CG1 4.4Å; L206-I210 HydrophobicContact CG-CD1 4.13Å; L206-I210 WeakPolarHBondContact O-CG1 3.45Å; L206-I210 PolarHBondContact O-N 3.5Å; L206-I255 HydrophobicContact CD2-CD1 4.32Å; L206-I255 HydrophobicContact CD2-CG2 4.2Å; L206-M257 HydrophobicContact CD2-CE 4.21Å; L206-M257 HydrophobicContact CD2-SD 3.49Å; L206-M257 WeakPolarHBondContact CD2-SD 3.25Å; L206-M257 HydrophobicContact CG-CE 3.95Å; L206-M257 HydrophobicContact CG-SD 3.88Å |
| 207 | K | 92 | Very high | 88.9 | Confident | 78 Ų | 78 | 47.2 Ų | 47.2 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 174.1 | -77.3 | 173.4 | 177.4 | -171 | 0 | 112.3 | V203 T204 T205 T209 I210 R211 M257 P265 | V203-K207 HydrophobicContact CG1-CD 4.22Å; V203-K207 HydrophobicContact CG1-CG 4.44Å; V203-K207 WeakPolarHBondContact O-CB 3.38Å; V203-K207 VanDerWaalsContact O-CG 3.23Å; V203-K207 WeakPolarHBondContact O-CG 3.4Å; V203-K207 PolarHBondContact O-N 3.41Å; T204-K207 PolarHBondContact O-N 2.89Å; T205-K207 PolarHBondContact O-N 2.87Å; K207-T209 VanDerWaalsContact C-N 3.33Å; K207-T209 PolarHBondContact O-N 3.43Å; K207-I210 PolarHBondContact O-N 3.49Å; K207-R211 WeakPolarHBondContact O-CB 3.17Å; K207-R211 PolarHBondContact O-N 3.02Å; K207-M257 HydrophobicContact CB-CE 4.49Å; K207-M257 WeakPolarHBondContact CE-O 3.18Å; K207-M257 HydrophobicContact CG-CE 3.62Å; K207-M257 HydrophobicContact CG-SD 4.4Å; K207-M257 PolarHBondContact NZ-O 3.39Å; K207-P265 HydrophobicContact CG-CG 4.45Å |
| 208 | G | 92.5 | Very high | 90.2 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T204 T205 L206 R211 C212 | T204-G208 PolarHBondContact O-N 3.36Å; T205-G208 PolarHBondContact O-N 3.42Å; L206-G208 PolarHBondContact O-N 3.1Å; G208-R211 PolarHBondContact O-N 3.33Å; G208-C212 PolarHBondContact O-N 3.49Å; G208-C212 VanDerWaalsContact O-N 3.11Å; G208-C212 PolarHBondContact O-SG 3.45Å |
| 209 | T | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 177.8 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | Y139 L187 V191 Q194 T205 L206 K207 R211 C212 L213 | Y139-T209 HydrophobicContact CE1-CG2 4.32Å; L187-T209 HydrophobicContact CB-CG2 4.24Å; L187-T209 HydrophobicContact CD2-CG2 3.79Å; V191-T209 HydrophobicContact CG2-CG2 3.65Å; Q194-T209 PolarHBondContact NE2-OG1 3.31Å; T205-T209 PolarHBondContact O-N 3.45Å; T205-T209 PolarHBondContact O-OG1 3.37Å; L206-T209 PolarHBondContact O-N 2.88Å; K207-T209 VanDerWaalsContact C-N 3.33Å; K207-T209 PolarHBondContact O-N 3.43Å; T209-R211 PolarHBondContact O-N 3.46Å; T209-C212 WeakPolarHBondContact O-CB 3.43Å; T209-C212 PolarHBondContact O-N 3.36Å; T209-L213 PolarHBondContact O-N 2.97Å; T209-L213 VanDerWaalsContact O-N 3.13Å |
| 210 | I | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | 178.6 | -66.4 | 169.3 | 0 | 0 | 0 | 111.3 | V191 L206 K207 C212 L213 V214 F251 M257 P265 L266 L269 | V191-I210 HydrophobicContact CG2-CG1 4.06Å; L206-I210 HydrophobicContact CD1-CD1 3.97Å; L206-I210 HydrophobicContact CD1-CG1 4.4Å; L206-I210 HydrophobicContact CG-CD1 4.13Å; L206-I210 WeakPolarHBondContact O-CG1 3.45Å; L206-I210 PolarHBondContact O-N 3.5Å; K207-I210 PolarHBondContact O-N 3.49Å; I210-C212 VanDerWaalsContact C-N 3.26Å; I210-C212 PolarHBondContact O-N 2.96Å; I210-L213 WeakPolarHBondContact O-CA 3.3Å; I210-L213 WeakPolarHBondContact O-CB 3.37Å; I210-L213 PolarHBondContact O-N 3.41Å; I210-V214 WeakPolarHBondContact O-CG2 3.35Å; I210-V214 PolarHBondContact O-N 3.17Å; I210-F251 HydrophobicContact CD1-CE2 3.98Å; I210-M257 HydrophobicContact CD1-CE 3.67Å; I210-P265 HydrophobicContact CB-CB 4.27Å; I210-P265 VanDerWaalsContact CG2-C 3.46Å; I210-P265 HydrophobicContact CG2-CB 3.76Å; I210-P265 WeakPolarHBondContact CG2-O 3.42Å; I210-L266 HydrophobicContact CD1-CB 4.47Å; I210-L266 HydrophobicContact CG2-CB 4.44Å; I210-L269 HydrophobicContact CG2-CB 4.34Å; I210-L269 HydrophobicContact CG2-CD2 4.2Å |
| 211 | R | 95.8 | Very high | 94.5 | Very high | 75 Ų | 75 | 29.8 Ų | 29.8 | 28% | 0.283 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.9 | -36.5 | 174.8 | -163 | -175.4 | 55.2 | -160.8 | -6.8 | 111.7 | D140 H143 K207 G208 T209 V214 Q215 | D140-R211 IonicContact OD1-CZ 3.32Å; D140-R211 IonicContact OD1-NH2 3.72Å; D140-R211 PolarHBondContact OD1-NH2 3.41Å; H143-R211 VanDerWaalsContact CD2-CG 3.46Å; H143-R211 WeakPolarHBondContact CD2-CG 3.38Å; H143-R211 PolarHBondContact CD2-NE 3.46Å; H143-R211 VanDerWaalsContact CD2-NE 3.29Å; H143-R211 WeakPolarHBondContact NE2-CD 3.21Å; H143-R211 WeakPolarHBondContact NE2-CG 3.44Å; H143-R211 PolarHBondContact NE2-NE 3.47Å; K207-R211 WeakPolarHBondContact O-CB 3.17Å; K207-R211 PolarHBondContact O-N 3.02Å; G208-R211 PolarHBondContact O-N 3.33Å; T209-R211 PolarHBondContact O-N 3.46Å; R211-V214 PolarHBondContact O-N 3Å; R211-Q215 PolarHBondContact O-N 2.96Å |
| 212 | C | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 170.8 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | Y139 L146 L187 G208 T209 I210 V214 Q215 V216 | Y139-C212 PolarHBondContact O-SG 2.87Å; Y139-C212 VanDerWaalsContact O-SG 3.41Å; L146-C212 HydrophobicContact CD1-CB 3.99Å; L146-C212 WeakPolarHBondContact CD1-O 3.46Å; L187-C212 HydrophobicContact CD1-CB 3.64Å; L187-C212 HydrophobicContact CD2-CB 4.1Å; G208-C212 PolarHBondContact O-N 3.49Å; G208-C212 VanDerWaalsContact O-N 3.11Å; G208-C212 PolarHBondContact O-SG 3.45Å; T209-C212 WeakPolarHBondContact O-CB 3.43Å; T209-C212 PolarHBondContact O-N 3.36Å; I210-C212 VanDerWaalsContact C-N 3.26Å; I210-C212 PolarHBondContact O-N 2.96Å; C212-V214 VanDerWaalsContact C-N 3.3Å; C212-V214 PolarHBondContact O-N 3.48Å; C212-Q215 PolarHBondContact O-N 3.43Å; C212-Q215 VanDerWaalsContact O-N 3.16Å; C212-V216 WeakPolarHBondContact O-CG2 3.44Å; C212-V216 PolarHBondContact O-N 2.69Å |
| 213 | L | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -36.4 | 177 | -72.5 | 173.1 | 0 | 0 | 0 | 113.1 | L187 V188 V191 T209 I210 Q215 V216 A217 W249 L269 | L187-L213 HydrophobicContact CB-CD1 4.41Å; L187-L213 HydrophobicContact CB-CD2 3.49Å; L187-L213 VanDerWaalsContact CB-CD2 3.49Å; L187-L213 HydrophobicContact CB-CG 3.85Å; L187-L213 HydrophobicContact CD1-CD2 3.91Å; L187-L213 HydrophobicContact CD1-CG 4.23Å; L187-L213 HydrophobicContact CG-CD2 4.37Å; V188-L213 HydrophobicContact CG2-CD1 4.45Å; V188-L213 HydrophobicContact CG2-CD2 4.17Å; V191-L213 HydrophobicContact CG2-CD1 4.21Å; T209-L213 PolarHBondContact O-N 2.97Å; T209-L213 VanDerWaalsContact O-N 3.13Å; I210-L213 WeakPolarHBondContact O-CA 3.3Å; I210-L213 WeakPolarHBondContact O-CB 3.37Å; I210-L213 PolarHBondContact O-N 3.41Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 2.96Å; L213-V216 PolarHBondContact O-N 3.2Å; L213-A217 PolarHBondContact O-N 3Å; L213-W249 HydrophobicContact CD1-CH2 3.77Å; L213-W249 HydrophobicContact CD1-CZ3 3.94Å; L213-L269 HydrophobicContact CB-CD1 4.02Å; L213-L269 HydrophobicContact CB-CD2 3.81Å; L213-L269 HydrophobicContact CD1-CD2 4.15Å |
| 214 | V | 98.2 | Very high | 96.1 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 7% | 0.073 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.5 | -50.4 | 173.6 | 176.8 | 0 | 0 | 0 | 0 | 110 | I210 R211 C212 V216 A217 E218 R268 L269 | I210-V214 WeakPolarHBondContact O-CG2 3.35Å; I210-V214 PolarHBondContact O-N 3.17Å; R211-V214 PolarHBondContact O-N 3Å; C212-V214 VanDerWaalsContact C-N 3.3Å; C212-V214 PolarHBondContact O-N 3.48Å; V214-V216 VanDerWaalsContact C-N 3.33Å; V214-V216 PolarHBondContact O-N 2.89Å; V214-A217 PolarHBondContact O-N 2.86Å; V214-A217 VanDerWaalsContact O-N 3.17Å; V214-E218 PolarHBondContact O-N 3.38Å; V214-R268 HydrophobicContact CG2-CB 4.28Å; V214-L269 HydrophobicContact CG2-CB 3.77Å |
| 215 | Q | 97.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 18.8 Ų | 18.8 | 9% | 0.089 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.8 | -33.2 | -179.4 | -63.6 | -62.6 | -57 | 0 | 0 | 112.7 | L146 E147 R211 C212 L213 A217 E218 V219 | L146-Q215 HydrophobicContact CB-CB 3.57Å; L146-Q215 HydrophobicContact CB-CG 4.38Å; L146-Q215 HydrophobicContact CD1-CB 4.24Å; L146-Q215 HydrophobicContact CG-CB 4.47Å; E147-Q215 VanDerWaalsContact CA-OE1 3.26Å; R211-Q215 PolarHBondContact O-N 2.96Å; C212-Q215 PolarHBondContact O-N 3.43Å; C212-Q215 VanDerWaalsContact O-N 3.16Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 2.96Å; Q215-A217 VanDerWaalsContact C-N 3.32Å; Q215-E218 VanDerWaalsContact NE2-CD 3.25Å; Q215-E218 PolarHBondContact NE2-OE1 3.32Å; Q215-E218 PolarHBondContact NE2-OE2 3.23Å; Q215-E218 PolarHBondContact O-N 3.06Å; Q215-E218 PolarHBondContact OE1-OE2 2.98Å; Q215-V219 VanDerWaalsContact O-CG2 3.31Å; Q215-V219 WeakPolarHBondContact O-CG2 3.48Å; Q215-V219 PolarHBondContact O-N 3.05Å |
| 216 | V | 98.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 171.6 | 168 | 0 | 0 | 0 | 0 | 111 | L146 L180 L183 M184 L187 C212 L213 V214 V219 F220 W239 | L146-V216 HydrophobicContact CD1-CG2 3.77Å; L146-V216 HydrophobicContact CD2-CG2 3.94Å; L180-V216 HydrophobicContact CD1-CB 4.41Å; L180-V216 HydrophobicContact CD1-CG1 4.1Å; L180-V216 HydrophobicContact CD1-CG2 4.14Å; L180-V216 HydrophobicContact CG-CG1 4.37Å; L183-V216 HydrophobicContact CD2-CG2 4.2Å; L183-V216 HydrophobicContact CG-CG2 4.47Å; M184-V216 HydrophobicContact CB-CG1 3.9Å; M184-V216 HydrophobicContact CG-CG1 4.16Å; L187-V216 HydrophobicContact CD1-CG2 4.1Å; C212-V216 WeakPolarHBondContact O-CG2 3.44Å; C212-V216 PolarHBondContact O-N 2.69Å; L213-V216 PolarHBondContact O-N 3.2Å; V214-V216 VanDerWaalsContact C-N 3.33Å; V214-V216 PolarHBondContact O-N 2.89Å; V216-V219 PolarHBondContact O-N 2.91Å; V216-F220 WeakPolarHBondContact O-CB 3.35Å; V216-F220 PolarHBondContact O-N 3.39Å; V216-W239 HydrophobicContact CG1-CH2 3.68Å; V216-W239 HydrophobicContact CG1-CZ3 3.88Å |
| 217 | A | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L213 V214 Q215 V219 F220 Y221 L269 Q272 | L213-A217 PolarHBondContact O-N 3Å; V214-A217 PolarHBondContact O-N 2.86Å; V214-A217 VanDerWaalsContact O-N 3.17Å; Q215-A217 VanDerWaalsContact C-N 3.32Å; A217-V219 PolarHBondContact O-N 2.92Å; A217-F220 WeakPolarHBondContact O-CB 3.12Å; A217-F220 PolarHBondContact O-N 3.5Å; A217-Y221 PolarHBondContact O-N 3.23Å; A217-L269 HydrophobicContact CB-CD1 4.17Å; A217-Q272 HydrophobicContact CB-CB 4.3Å; A217-Q272 HydrophobicContact CB-CG 3.51Å |
| 218 | E | 98.3 | Very high | 96.8 | Very high | 49 Ų | 49 | 19.6 Ų | 19.6 | 23% | 0.229 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 173.7 | -70.6 | 175.5 | -163.2 | 0 | 0 | 113.2 | S150 V214 Q215 Y221 S222 Q272 | S150-E218 WeakPolarHBondContact OG-CB 3.42Å; S150-E218 PolarHBondContact OG-OE2 3.14Å; V214-E218 PolarHBondContact O-N 3.38Å; Q215-E218 VanDerWaalsContact NE2-CD 3.25Å; Q215-E218 PolarHBondContact NE2-OE1 3.32Å; Q215-E218 PolarHBondContact NE2-OE2 3.23Å; Q215-E218 PolarHBondContact O-N 3.06Å; Q215-E218 PolarHBondContact OE1-OE2 2.98Å; E218-Y221 WeakPolarHBondContact O-CB 3.48Å; E218-S222 PolarHBondContact O-N 3.25Å; E218-S222 VanDerWaalsContact O-N 3.1Å; E218-S222 PolarHBondContact O-OG 3.44Å; E218-Q272 HydrophobicContact CG-CG 4.04Å |
| 219 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.4 | -44.2 | 173.7 | 169 | 0 | 0 | 0 | 0 | 110.2 | A149 F153 F176 L180 Q215 V216 A217 Y221 S222 L223 | A149-V219 HydrophobicContact CB-CG2 4.16Å; F153-V219 HydrophobicContact CD2-CG1 4.04Å; F153-V219 HydrophobicContact CE2-CG1 4.29Å; F176-V219 HydrophobicContact CE1-CG1 4.1Å; L180-V219 HydrophobicContact CD1-CB 4.42Å; L180-V219 HydrophobicContact CD1-CG1 4.07Å; L180-V219 HydrophobicContact CD2-CB 4.36Å; L180-V219 HydrophobicContact CD2-CG1 3.59Å; L180-V219 HydrophobicContact CG-CG1 4.48Å; Q215-V219 VanDerWaalsContact O-CG2 3.31Å; Q215-V219 WeakPolarHBondContact O-CG2 3.48Å; Q215-V219 PolarHBondContact O-N 3.05Å; V216-V219 PolarHBondContact O-N 2.91Å; A217-V219 PolarHBondContact O-N 2.92Å; V219-Y221 VanDerWaalsContact C-N 3.34Å; V219-Y221 PolarHBondContact O-N 3.44Å; V219-S222 PolarHBondContact O-N 2.94Å; V219-L223 HydrophobicContact CG1-CD1 3.86Å; V219-L223 HydrophobicContact CG1-CG 4.24Å; V219-L223 WeakPolarHBondContact O-CG 3.26Å; V219-L223 PolarHBondContact O-N 3.09Å |
| 220 | F | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56 | -48.5 | 175.9 | 176.3 | -88.8 | 0 | 0 | 0 | 111.1 | V216 A217 S222 L223 N224 F232 W239 F243 D276 Y280 | V216-F220 WeakPolarHBondContact O-CB 3.35Å; V216-F220 PolarHBondContact O-N 3.39Å; A217-F220 WeakPolarHBondContact O-CB 3.12Å; A217-F220 PolarHBondContact O-N 3.5Å; F220-S222 VanDerWaalsContact C-N 3.34Å; F220-S222 PolarHBondContact O-N 3.33Å; F220-L223 PolarHBondContact O-N 2.86Å; F220-N224 PolarHBondContact O-N 3.45Å; F220-N224 VanDerWaalsContact O-N 3.16Å; F220-N224 PolarHBondContact O-ND2 3.43Å; F220-F232 AromaticContact CD2-CD1 3.98Å; F220-F232 HydrophobicContact CD2-CD1 3.98Å; F220-F232 AromaticContact CD2-CE1 3.84Å; F220-F232 HydrophobicContact CD2-CE1 3.84Å; F220-F232 HydrophobicContact CD2-CZ 4.44Å; F220-F232 AromaticContact CE2-CD1 3.73Å; F220-F232 HydrophobicContact CE2-CD1 3.73Å; F220-F232 HydrophobicContact CE2-CE1 4.09Å; F220-F232 HydrophobicContact CE2-CG 4.28Å; F220-W239 HydrophobicContact CB-CZ3 4.31Å; F220-W239 AromaticContact CD2-CD2 3.79Å; F220-W239 HydrophobicContact CD2-CD2 3.79Å; F220-W239 AromaticContact CD2-CE2 4Å; F220-W239 AromaticContact CD2-CE3 3.73Å; F220-W239 HydrophobicContact CD2-CE3 3.73Å; F220-W239 HydrophobicContact CD2-CG 4.41Å; F220-W239 HydrophobicContact CD2-CH2 4.09Å; F220-W239 HydrophobicContact CD2-CZ2 4.16Å; F220-W239 AromaticContact CD2-CZ3 3.87Å; F220-W239 HydrophobicContact CD2-CZ3 3.87Å; F220-W239 HydrophobicContact CE2-CB 4.27Å; F220-W239 AromaticContact CE2-CD2 3.73Å; F220-W239 HydrophobicContact CE2-CD2 3.73Å; F220-W239 AromaticContact CE2-CE3 3.97Å; F220-W239 HydrophobicContact CE2-CE3 3.97Å; F220-W239 AromaticContact CE2-CG 3.86Å; F220-W239 HydrophobicContact CE2-CG 3.86Å; F220-W239 HydrophobicContact CG-CE3 4.36Å; F220-W239 HydrophobicContact CG-CZ3 4.28Å; F220-F243 HydrophobicContact CD1-CE2 4.06Å; F220-F243 AromaticContact CD1-CZ 3.88Å; F220-F243 HydrophobicContact CD1-CZ 3.88Å; F220-F243 AromaticContact CE1-CE2 3.8Å; F220-F243 HydrophobicContact CE1-CE2 3.8Å; F220-F243 HydrophobicContact CE1-CZ 4.08Å; F220-F243 HydrophobicContact CG-CZ 4.21Å; F220-F243 HydrophobicContact CZ-CE2 4.25Å; F220-D276 HydrophobicContact CD1-CB 4.2Å; F220-D276 HydrophobicContact CE1-CB 4.23Å; F220-Y280 HydrophobicContact CE1-CD2 4.31Å; F220-Y280 AromaticContact CE1-CE2 3.47Å; F220-Y280 HydrophobicContact CE1-CE2 3.47Å; F220-Y280 VanDerWaalsContact CE1-CE2 3.47Å; F220-Y280 AromaticContact CZ-CE2 3.54Å; F220-Y280 HydrophobicContact CZ-CE2 3.54Å; F220-Y280 AromaticContact CZ-CZ 3.61Å; F220-Y280 WeakPolarHBondContact CZ-OH 3.41Å |
| 221 | Y | 98.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 30.5 Ų | 30.5 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52 | -53.6 | 173.9 | -169.1 | -90.5 | 0 | 0 | 0 | 111.5 | Q157 A217 E218 V219 L223 N224 V225 D275 D276 L279 | Q157-Y221 HydrophobicContact CG-CD1 4.1Å; Q157-Y221 HydrophobicContact CG-CE1 4.05Å; A217-Y221 PolarHBondContact O-N 3.23Å; E218-Y221 WeakPolarHBondContact O-CB 3.48Å; V219-Y221 VanDerWaalsContact C-N 3.34Å; V219-Y221 PolarHBondContact O-N 3.44Å; Y221-L223 VanDerWaalsContact C-N 3.26Å; Y221-L223 PolarHBondContact O-N 3.1Å; Y221-N224 CarbonylContact O-C 3.49Å; Y221-N224 PolarHBondContact O-N 3.18Å; Y221-V225 HydrophobicContact CD1-CB 4.46Å; Y221-V225 HydrophobicContact CE1-CB 4.21Å; Y221-V225 HydrophobicContact CE1-CG2 3.93Å; Y221-V225 PolarHBondContact O-N 2.72Å; Y221-D275 HydrophobicContact CD2-CB 4.41Å; Y221-D275 HydrophobicContact CE2-CB 4.21Å; Y221-D276 WeakPolarHBondContact CA-OD1 3.49Å; Y221-D276 WeakPolarHBondContact CB-OD1 3.25Å; Y221-D276 WeakPolarHBondContact CD2-OD1 3.4Å; Y221-D276 PolarHBondContact N-OD1 2.98Å; Y221-L279 HydrophobicContact CD2-CB 4.41Å; Y221-L279 HydrophobicContact CD2-CD2 3.97Å; Y221-L279 HydrophobicContact CE2-CB 3.84Å; Y221-L279 HydrophobicContact CE2-CD2 3.92Å; Y221-L279 HydrophobicContact CE2-CG 4.43Å; Y221-L279 HydrophobicContact CG-CD2 4.44Å |
| 222 | S | 97.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -31.8 | -174.2 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | Q157 E218 V219 F220 | Q157-S222 PolarHBondContact NE2-OG 3.42Å; E218-S222 PolarHBondContact O-N 3.25Å; E218-S222 VanDerWaalsContact O-N 3.1Å; E218-S222 PolarHBondContact O-OG 3.44Å; V219-S222 PolarHBondContact O-N 2.94Å; F220-S222 VanDerWaalsContact C-N 3.34Å; F220-S222 PolarHBondContact O-N 3.33Å |
| 223 | L | 97.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -82.2 | -17.2 | 177.7 | -64.1 | -179.7 | 0 | 0 | 0 | 113.6 | F153 Y156 V172 L173 L180 V219 F220 Y221 P229 F232 | F153-L223 HydrophobicContact CD2-CD2 4.15Å; F153-L223 HydrophobicContact CG-CD2 4.29Å; Y156-L223 HydrophobicContact CD2-CD2 4.41Å; Y156-L223 HydrophobicContact CE2-CD2 4.17Å; V172-L223 HydrophobicContact CG1-CD2 3.69Å; L173-L223 HydrophobicContact CD2-CB 4.32Å; L180-L223 HydrophobicContact CD2-CD1 4.28Å; V219-L223 HydrophobicContact CG1-CD1 3.86Å; V219-L223 HydrophobicContact CG1-CG 4.24Å; V219-L223 WeakPolarHBondContact O-CG 3.26Å; V219-L223 PolarHBondContact O-N 3.09Å; F220-L223 PolarHBondContact O-N 2.86Å; Y221-L223 VanDerWaalsContact C-N 3.26Å; Y221-L223 PolarHBondContact O-N 3.1Å; L223-P229 WeakPolarHBondContact O-CG 3.31Å; L223-F232 HydrophobicContact CB-CE2 3.94Å; L223-F232 HydrophobicContact CB-CZ 4.48Å; L223-F232 HydrophobicContact CD1-CE2 4.16Å; L223-F232 HydrophobicContact CD1-CZ 4.09Å |
| 224 | N | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -110.2 | -0.5 | -178.1 | -70.3 | -86 | 0 | 0 | 0 | 113.4 | F220 Y221 D227 P229 F232 L279 Y280 Y284 | F220-N224 PolarHBondContact O-N 3.45Å; F220-N224 VanDerWaalsContact O-N 3.16Å; F220-N224 PolarHBondContact O-ND2 3.43Å; Y221-N224 CarbonylContact O-C 3.49Å; Y221-N224 PolarHBondContact O-N 3.18Å; N224-D227 CarbonylContact C-O 3.31Å; N224-D227 WeakPolarHBondContact CA-O 3.31Å; N224-P229 WeakPolarHBondContact OD1-CD 3.42Å; N224-F232 WeakPolarHBondContact ND2-CD2 3.38Å; N224-F232 WeakPolarHBondContact OD1-CD2 3.47Å; N224-L279 HydrophobicContact CB-CD2 4.22Å; N224-Y280 HydrophobicContact CB-CE2 4.08Å; N224-Y280 PolarHBondContact OD1-OH 3.47Å; N224-Y284 WeakPolarHBondContact O-CE2 3.39Å; N224-Y284 PolarHBondContact O-OH 2.94Å |
| 225 | V | 95.3 | Very high | 97.2 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -75.8 | -30.2 | -175.5 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | Q157 Y221 L279 | Q157-V225 HydrophobicContact CB-CG1 4.45Å; Q157-V225 HydrophobicContact CG-CG1 4.1Å; Y221-V225 HydrophobicContact CD1-CB 4.46Å; Y221-V225 HydrophobicContact CE1-CB 4.21Å; Y221-V225 HydrophobicContact CE1-CG2 3.93Å; Y221-V225 PolarHBondContact O-N 2.72Å; V225-L279 HydrophobicContact CB-CD2 4.37Å; V225-L279 HydrophobicContact CG2-CD1 4.37Å |
| 226 | Q | 93.5 | Very high | 97.2 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -85.2 | -38.6 | -176.6 | -75.8 | -71.2 | -23.3 | 0 | 0 | 112.8 | Y156 E159 K161 I169 | Y156-Q226 WeakPolarHBondContact O-CG 3.36Å; Y156-Q226 PolarHBondContact O-NE2 3.17Å; E159-Q226 PolarHBondContact O-NE2 2.86Å; K161-Q226 WeakPolarHBondContact CE-O 3.41Å; K161-Q226 PolarHBondContact NZ-O 3.24Å; I169-Q226 HydrophobicContact CD1-CB 4.26Å; I169-Q226 HydrophobicContact CD1-CG 3.96Å |
| 227 | D | 93.7 | Very high | 97.2 | Very high | 101 Ų | 101 | 40.7 Ų | 40.7 | 54% | 0.54 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -162.9 | 166.7 | 179.4 | -156.5 | 2.6 | 0 | 0 | 0 | 109.5 | N224 P229 Y284 | N224-D227 CarbonylContact C-O 3.31Å; N224-D227 WeakPolarHBondContact CA-O 3.31Å; D227-P229 VanDerWaalsContact O-CD 3.25Å; D227-P229 WeakPolarHBondContact O-CD 3.36Å; D227-Y284 VanDerWaalsContact CA-OH 3.24Å; D227-Y284 WeakPolarHBondContact CA-OH 3.41Å; D227-Y284 PolarHBondContact N-OH 3.27Å; D227-Y284 PolarHBondContact O-OH 2.92Å |
| 228 | L | 96 | Very high | 97.1 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | trans | -88.4 | 110.3 | 172.5 | 178.2 | 60.6 | 0 | 0 | 0 | 109.5 | F232 E233 M236 Y280 Y284 E287 | L228-F232 HydrophobicContact CD1-CB 4.42Å; L228-E233 HydrophobicContact CD2-CB 4.1Å; L228-E233 HydrophobicContact CD2-CG 4.04Å; L228-E233 HydrophobicContact CG-CB 4.14Å; L228-M236 HydrophobicContact CD2-SD 4.49Å; L228-Y280 HydrophobicContact CD1-CE1 3.83Å; L228-Y280 WeakPolarHBondContact CD1-OH 3.48Å; L228-Y284 HydrophobicContact CB-CD1 3.67Å; L228-Y284 HydrophobicContact CB-CD2 4.18Å; L228-Y284 HydrophobicContact CB-CE1 3.6Å; L228-Y284 HydrophobicContact CB-CE2 4.1Å; L228-Y284 HydrophobicContact CB-CG 4Å; L228-Y284 HydrophobicContact CD1-CD2 4.33Å; L228-Y284 HydrophobicContact CD2-CD1 4.39Å; L228-Y284 HydrophobicContact CD2-CG 4.18Å; L228-Y284 PolarHBondContact N-OH 3.46Å; L228-E287 HydrophobicContact CD2-CB 4.33Å; L228-E287 HydrophobicContact CD2-CG 3.98Å | ||
| 229 | P | 96.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 10% | 0.104 | 21% | 0.205 | C | C | . | . | trans | -73.5 | 140.1 | 179.9 | -21.5 | 38.2 | 0 | 0 | 0 | 112.3 | L173 L223 N224 D227 Y231 F232 E233 | L173-P229 HydrophobicContact CD1-CB 3.71Å; L173-P229 HydrophobicContact CD1-CG 3.77Å; L173-P229 HydrophobicContact CD2-CB 3.7Å; L173-P229 HydrophobicContact CD2-CG 3.57Å; L173-P229 HydrophobicContact CG-CB 4.3Å; L173-P229 HydrophobicContact CG-CG 4.32Å; L223-P229 WeakPolarHBondContact O-CG 3.31Å; N224-P229 WeakPolarHBondContact OD1-CD 3.42Å; D227-P229 VanDerWaalsContact O-CD 3.25Å; D227-P229 WeakPolarHBondContact O-CD 3.36Å; P229-Y231 PolarHBondContact O-N 2.97Å; P229-Y231 VanDerWaalsContact O-N 3.09Å; P229-F232 HydrophobicContact CB-CD2 3.92Å; P229-F232 HydrophobicContact CG-CD2 3.76Å; P229-F232 HydrophobicContact CG-CE2 4.38Å; P229-F232 PolarHBondContact O-N 2.84Å; P229-E233 PolarHBondContact O-N 2.82Å | ||
| 230 | E | 96.5 | Very high | 97.1 | Very high | 158 Ų | 158 | 40.3 Ų | 40.3 | 74% | 0.738 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -46.1 | -45.1 | 178.6 | -64 | 175.4 | -173.6 | 0 | 0 | 112.4 | F232 E233 D234 | E230-F232 PolarHBondContact O-N 3.33Å; E230-E233 WeakPolarHBondContact O-CB 3.29Å; E230-E233 PolarHBondContact O-N 3.3Å; E230-D234 WeakPolarHBondContact O-CB 3.49Å; E230-D234 PolarHBondContact O-N 3.32Å |
| 231 | Y | 98 | Very high | 97.1 | Very high | 67 Ų | 67 | 43.9 Ų | 43.9 | 26% | 0.263 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 179.1 | -179.1 | -80.8 | 0 | 0 | 0 | 112.8 | S177 E178 T181 P229 N235 | S177-Y231 VanDerWaalsContact CB-CD1 3.42Å; E178-Y231 WeakPolarHBondContact CA-OH 3.41Å; E178-Y231 HydrophobicContact CB-CE2 4.07Å; T181-Y231 VanDerWaalsContact OG1-CE1 3.3Å; T181-Y231 WeakPolarHBondContact OG1-CE1 3.44Å; P229-Y231 PolarHBondContact O-N 2.97Å; P229-Y231 VanDerWaalsContact O-N 3.09Å; Y231-N235 HydrophobicContact CE1-CB 4.37Å; Y231-N235 WeakPolarHBondContact O-CB 3.43Å; Y231-N235 PolarHBondContact O-N 3.16Å; Y231-N235 VanDerWaalsContact O-N 3.13Å; Y231-N235 PolarHBondContact O-ND2 3.24Å |
| 232 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.8 | -33.3 | 179.7 | -71.1 | -63 | 0 | 0 | 0 | 111.5 | L173 L180 F220 L223 N224 L228 P229 E230 N235 M236 W239 | L173-F232 HydrophobicContact CD2-CD2 4.22Å; L173-F232 HydrophobicContact CD2-CE2 3.73Å; L180-F232 HydrophobicContact CD2-CZ 4.34Å; F220-F232 AromaticContact CD2-CD1 3.98Å; F220-F232 HydrophobicContact CD2-CD1 3.98Å; F220-F232 AromaticContact CD2-CE1 3.84Å; F220-F232 HydrophobicContact CD2-CE1 3.84Å; F220-F232 HydrophobicContact CD2-CZ 4.44Å; F220-F232 AromaticContact CE2-CD1 3.73Å; F220-F232 HydrophobicContact CE2-CD1 3.73Å; F220-F232 HydrophobicContact CE2-CE1 4.09Å; F220-F232 HydrophobicContact CE2-CG 4.28Å; L223-F232 HydrophobicContact CB-CE2 3.94Å; L223-F232 HydrophobicContact CB-CZ 4.48Å; L223-F232 HydrophobicContact CD1-CE2 4.16Å; L223-F232 HydrophobicContact CD1-CZ 4.09Å; N224-F232 WeakPolarHBondContact ND2-CD2 3.38Å; N224-F232 WeakPolarHBondContact OD1-CD2 3.47Å; L228-F232 HydrophobicContact CD1-CB 4.42Å; P229-F232 HydrophobicContact CB-CD2 3.92Å; P229-F232 HydrophobicContact CG-CD2 3.76Å; P229-F232 HydrophobicContact CG-CE2 4.38Å; P229-F232 PolarHBondContact O-N 2.84Å; E230-F232 PolarHBondContact O-N 3.33Å; F232-N235 CarbonylContact O-C 3.45Å; F232-N235 VanDerWaalsContact O-C 3.32Å; F232-N235 PolarHBondContact O-N 2.95Å; F232-M236 VanDerWaalsContact O-CG 3.22Å; F232-M236 WeakPolarHBondContact O-CG 3.34Å; F232-M236 PolarHBondContact O-N 2.95Å; F232-W239 AromaticContact CD1-NE1 3.57Å; F232-W239 AromaticContact CE1-CE2 3.88Å; F232-W239 AromaticContact CE1-CZ2 3.9Å; F232-W239 HydrophobicContact CE1-CZ2 3.9Å; F232-W239 AromaticContact CE1-NE1 3.71Å |
| 233 | E | 97.4 | Very high | 97.1 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 41% | 0.407 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.4 | -54.5 | 170 | -168.5 | -177 | 169.7 | 0 | 0 | 110.9 | L228 P229 E230 N235 M236 | L228-E233 HydrophobicContact CD2-CB 4.1Å; L228-E233 HydrophobicContact CD2-CG 4.04Å; L228-E233 HydrophobicContact CG-CB 4.14Å; P229-E233 PolarHBondContact O-N 2.82Å; E230-E233 WeakPolarHBondContact O-CB 3.29Å; E230-E233 PolarHBondContact O-N 3.3Å; E233-N235 PolarHBondContact O-N 3.35Å; E233-M236 WeakPolarHBondContact O-CB 3.36Å; E233-M236 WeakPolarHBondContact O-CG 3.35Å; E233-M236 PolarHBondContact O-N 3.27Å; E233-M236 VanDerWaalsContact O-N 3.07Å |
| 234 | D | 97.7 | Very high | 97.1 | Very high | 131 Ų | 131 | 41.7 Ų | 41.7 | 70% | 0.701 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.2 | -31.7 | 177.5 | -77 | -20.3 | 0 | 0 | 0 | 112.7 | E230 | E230-D234 WeakPolarHBondContact O-CB 3.49Å; E230-D234 PolarHBondContact O-N 3.32Å |
| 235 | N | 97.9 | Very high | 97 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 12.7 | -179.8 | -71.5 | -87.5 | 0 | 0 | 0 | 113.7 | Y231 F232 E233 P237 T238 W239 | Y231-N235 HydrophobicContact CE1-CB 4.37Å; Y231-N235 WeakPolarHBondContact O-CB 3.43Å; Y231-N235 PolarHBondContact O-N 3.16Å; Y231-N235 VanDerWaalsContact O-N 3.13Å; Y231-N235 PolarHBondContact O-ND2 3.24Å; F232-N235 CarbonylContact O-C 3.45Å; F232-N235 VanDerWaalsContact O-C 3.32Å; F232-N235 PolarHBondContact O-N 2.95Å; E233-N235 PolarHBondContact O-N 3.35Å; N235-P237 VanDerWaalsContact C-CD 3.46Å; N235-P237 VanDerWaalsContact C-N 3.34Å; N235-T238 WeakPolarHBondContact O-CA 3.45Å; N235-T238 VanDerWaalsContact O-CB 3.26Å; N235-T238 WeakPolarHBondContact O-CB 3.32Å; N235-T238 PolarHBondContact O-N 3.33Å; N235-W239 PolarHBondContact O-N 2.89Å; N235-W239 VanDerWaalsContact O-N 3.09Å |
| 236 | M | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.6 | -44.2 | 177.2 | -78.9 | -175.9 | 77.7 | 0 | 0 | 112.8 | L228 F232 E233 T238 W239 M240 Y280 E287 Y291 | L228-M236 HydrophobicContact CD2-SD 4.49Å; F232-M236 VanDerWaalsContact O-CG 3.22Å; F232-M236 WeakPolarHBondContact O-CG 3.34Å; F232-M236 PolarHBondContact O-N 2.95Å; E233-M236 WeakPolarHBondContact O-CB 3.36Å; E233-M236 WeakPolarHBondContact O-CG 3.35Å; E233-M236 PolarHBondContact O-N 3.27Å; E233-M236 VanDerWaalsContact O-N 3.07Å; M236-T238 PolarHBondContact O-N 3.25Å; M236-T238 VanDerWaalsContact O-N 3.16Å; M236-W239 PolarHBondContact O-N 2.75Å; M236-M240 HydrophobicContact CE-CE 4.01Å; M236-M240 VanDerWaalsContact O-CB 3.28Å; M236-M240 WeakPolarHBondContact O-CB 3.19Å; M236-M240 WeakPolarHBondContact O-CG 3.43Å; M236-M240 PolarHBondContact O-N 3.35Å; M236-Y280 HydrophobicContact CE-CD1 3.82Å; M236-Y280 HydrophobicContact CE-CE1 3.78Å; M236-Y280 HydrophobicContact CG-CE1 4.48Å; M236-Y280 HydrophobicContact SD-CE1 4.3Å; M236-E287 HydrophobicContact CE-CB 3.91Å; M236-E287 VanDerWaalsContact CE-O 3.32Å; M236-E287 WeakPolarHBondContact CE-O 3.33Å; M236-E287 HydrophobicContact SD-CB 3.63Å; M236-Y291 HydrophobicContact CB-CE2 4.24Å; M236-Y291 HydrophobicContact CE-CD2 4.21Å; M236-Y291 HydrophobicContact CE-CE2 3.91Å |
| 237 | P | 98 | Very high | 97.3 | Very high | 62 Ų | 62 | 41.7 Ų | 41.7 | 40% | 0.403 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.8 | -34.5 | 176.9 | -23.1 | 31.4 | 0 | 0 | 0 | 112.8 | N235 N241 Y291 | N235-P237 VanDerWaalsContact C-CD 3.46Å; N235-P237 VanDerWaalsContact C-N 3.34Å; P237-N241 WeakPolarHBondContact O-CB 3.45Å; P237-N241 VanDerWaalsContact O-CG 3.24Å; P237-N241 PolarHBondContact O-N 2.82Å; P237-N241 PolarHBondContact O-ND2 2.68Å; P237-Y291 WeakPolarHBondContact CD-OH 3.5Å; P237-Y291 WeakPolarHBondContact CG-OH 3.24Å |
| 238 | T | 98.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.7 | -52.7 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | T181 M184 K185 N235 M236 A242 | T181-T238 HydrophobicContact CG2-CG2 4.01Å; M184-T238 HydrophobicContact CE-CG2 3.86Å; K185-T238 HydrophobicContact CD-CG2 4.4Å; K185-T238 HydrophobicContact CG-CG2 4.41Å; N235-T238 WeakPolarHBondContact O-CA 3.45Å; N235-T238 VanDerWaalsContact O-CB 3.26Å; N235-T238 WeakPolarHBondContact O-CB 3.32Å; N235-T238 PolarHBondContact O-N 3.33Å; M236-T238 PolarHBondContact O-N 3.25Å; M236-T238 VanDerWaalsContact O-N 3.16Å; T238-A242 WeakPolarHBondContact O-CB 2.85Å; T238-A242 PolarHBondContact O-N 3.34Å; T238-A242 VanDerWaalsContact O-N 3.1Å |
| 239 | W | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -45.8 | -176.9 | -78.9 | 99.5 | 0 | 0 | 0 | 112.1 | L180 T181 M184 V216 F220 F232 N235 M236 N241 A242 F243 | L180-W239 HydrophobicContact CD2-CH2 4.27Å; L180-W239 HydrophobicContact CD2-CZ2 4.4Å; L180-W239 HydrophobicContact CG-CH2 4.16Å; L180-W239 HydrophobicContact CG-CZ2 4.35Å; T181-W239 HydrophobicContact CG2-CZ2 4.38Å; T181-W239 WeakPolarHBondContact OG1-CZ2 3.31Å; T181-W239 PolarHBondContact OG1-NE1 3.1Å; T181-W239 VanDerWaalsContact OG1-NE1 3.14Å; M184-W239 HydrophobicContact CB-CH2 3.77Å; M184-W239 HydrophobicContact CB-CZ2 4.35Å; M184-W239 HydrophobicContact CB-CZ3 4.04Å; M184-W239 HydrophobicContact CE-CD2 3.92Å; M184-W239 HydrophobicContact CE-CE3 3.95Å; M184-W239 HydrophobicContact CE-CG 4.42Å; M184-W239 HydrophobicContact CE-CZ2 4.48Å; M184-W239 HydrophobicContact CE-CZ3 4.27Å; M184-W239 HydrophobicContact CG-CE3 4.16Å; M184-W239 HydrophobicContact CG-CH2 3.92Å; M184-W239 HydrophobicContact CG-CZ3 3.63Å; V216-W239 HydrophobicContact CG1-CH2 3.68Å; V216-W239 HydrophobicContact CG1-CZ3 3.88Å; F220-W239 HydrophobicContact CB-CZ3 4.31Å; F220-W239 AromaticContact CD2-CD2 3.79Å; F220-W239 HydrophobicContact CD2-CD2 3.79Å; F220-W239 AromaticContact CD2-CE2 4Å; F220-W239 AromaticContact CD2-CE3 3.73Å; F220-W239 HydrophobicContact CD2-CE3 3.73Å; F220-W239 HydrophobicContact CD2-CG 4.41Å; F220-W239 HydrophobicContact CD2-CH2 4.09Å; F220-W239 HydrophobicContact CD2-CZ2 4.16Å; F220-W239 AromaticContact CD2-CZ3 3.87Å; F220-W239 HydrophobicContact CD2-CZ3 3.87Å; F220-W239 HydrophobicContact CE2-CB 4.27Å; F220-W239 AromaticContact CE2-CD2 3.73Å; F220-W239 HydrophobicContact CE2-CD2 3.73Å; F220-W239 AromaticContact CE2-CE3 3.97Å; F220-W239 HydrophobicContact CE2-CE3 3.97Å; F220-W239 AromaticContact CE2-CG 3.86Å; F220-W239 HydrophobicContact CE2-CG 3.86Å; F220-W239 HydrophobicContact CG-CE3 4.36Å; F220-W239 HydrophobicContact CG-CZ3 4.28Å; F232-W239 AromaticContact CD1-NE1 3.57Å; F232-W239 AromaticContact CE1-CE2 3.88Å; F232-W239 AromaticContact CE1-CZ2 3.9Å; F232-W239 HydrophobicContact CE1-CZ2 3.9Å; F232-W239 AromaticContact CE1-NE1 3.71Å; N235-W239 PolarHBondContact O-N 2.89Å; N235-W239 VanDerWaalsContact O-N 3.09Å; M236-W239 PolarHBondContact O-N 2.75Å; W239-N241 VanDerWaalsContact C-N 3.34Å; W239-N241 PolarHBondContact O-N 3.12Å; W239-A242 WeakPolarHBondContact O-CB 2.85Å; W239-A242 PolarHBondContact O-N 3.16Å; W239-A242 VanDerWaalsContact O-N 3.15Å; W239-F243 AromaticContact CE3-CE1 3.92Å; W239-F243 HydrophobicContact CE3-CE1 3.92Å; W239-F243 AromaticContact CE3-CZ 3.95Å; W239-F243 HydrophobicContact CE3-CZ 3.95Å; W239-F243 HydrophobicContact CZ3-CE1 4.18Å; W239-F243 HydrophobicContact CZ3-CZ 4.32Å; W239-F243 WeakPolarHBondContact O-CG 3.48Å; W239-F243 PolarHBondContact O-N 3.02Å |
| 240 | M | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -38.2 | -179.5 | -63 | -57.4 | 156.3 | 0 | 0 | 111.9 | M236 C244 L277 Y280 F288 Y291 F295 | M236-M240 HydrophobicContact CE-CE 4.01Å; M236-M240 VanDerWaalsContact O-CB 3.28Å; M236-M240 WeakPolarHBondContact O-CB 3.19Å; M236-M240 WeakPolarHBondContact O-CG 3.43Å; M236-M240 PolarHBondContact O-N 3.35Å; M240-C244 WeakPolarHBondContact O-CB 3.43Å; M240-C244 PolarHBondContact O-N 2.76Å; M240-C244 PolarHBondContact O-SG 3.39Å; M240-L277 HydrophobicContact SD-CD2 4.23Å; M240-Y280 HydrophobicContact CE-CD1 3.63Å; M240-Y280 HydrophobicContact CE-CD2 4.5Å; M240-Y280 HydrophobicContact CE-CE1 3.67Å; M240-Y280 HydrophobicContact CE-CG 4.06Å; M240-F288 HydrophobicContact CE-CD2 4.39Å; M240-F288 HydrophobicContact SD-CD2 4.34Å; M240-F288 HydrophobicContact SD-CE2 4.11Å; M240-Y291 HydrophobicContact CB-CD1 3.58Å; M240-Y291 HydrophobicContact CB-CD2 4.49Å; M240-Y291 HydrophobicContact CB-CE1 3.88Å; M240-Y291 HydrophobicContact CB-CG 3.91Å; M240-Y291 HydrophobicContact CG-CD1 3.96Å; M240-Y291 HydrophobicContact CG-CD2 3.95Å; M240-Y291 HydrophobicContact CG-CE1 4.18Å; M240-Y291 HydrophobicContact CG-CE2 4.18Å; M240-Y291 HydrophobicContact CG-CG 3.83Å; M240-F295 HydrophobicContact CB-CE2 4.04Å; M240-F295 HydrophobicContact CB-CZ 4.07Å; M240-F295 HydrophobicContact CG-CE2 4.3Å; M240-F295 VanDerWaalsContact O-CZ 3.31Å; M240-F295 WeakPolarHBondContact O-CZ 3.22Å; M240-F295 HydrophobicContact SD-CE2 3.64Å; M240-F295 HydrophobicContact SD-CZ 3.86Å |
| 241 | N | 97.7 | Very high | 96 | Very high | 77 Ų | 77 | 37 Ų | 37 | 41% | 0.412 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 173.9 | -79.8 | -46 | 0 | 0 | 0 | 112.3 | P237 W239 C244 T245 R294 | P237-N241 WeakPolarHBondContact O-CB 3.45Å; P237-N241 VanDerWaalsContact O-CG 3.24Å; P237-N241 PolarHBondContact O-N 2.82Å; P237-N241 PolarHBondContact O-ND2 2.68Å; W239-N241 VanDerWaalsContact C-N 3.34Å; W239-N241 PolarHBondContact O-N 3.12Å; N241-C244 WeakPolarHBondContact O-CB 3.46Å; N241-C244 PolarHBondContact O-N 2.92Å; N241-T245 PolarHBondContact O-N 3.32Å; N241-T245 PolarHBondContact O-OG1 2.72Å; N241-R294 PolarHBondContact OD1-NH1 3.47Å |
| 242 | A | 98.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M184 V188 T238 W239 C244 T245 Q246 | M184-A242 HydrophobicContact CE-CB 3.73Å; M184-A242 HydrophobicContact SD-CB 3.28Å; M184-A242 WeakPolarHBondContact SD-CB 3.29Å; V188-A242 HydrophobicContact CG2-CB 4.46Å; T238-A242 WeakPolarHBondContact O-CB 2.85Å; T238-A242 PolarHBondContact O-N 3.34Å; T238-A242 VanDerWaalsContact O-N 3.1Å; W239-A242 WeakPolarHBondContact O-CB 2.85Å; W239-A242 PolarHBondContact O-N 3.16Å; W239-A242 VanDerWaalsContact O-N 3.15Å; A242-C244 PolarHBondContact O-N 3.26Å; A242-T245 PolarHBondContact O-N 2.95Å; A242-T245 VanDerWaalsContact O-N 3.15Å; A242-Q246 WeakPolarHBondContact O-CB 3.36Å; A242-Q246 VanDerWaalsContact O-CG 3.24Å; A242-Q246 WeakPolarHBondContact O-CG 3.41Å; A242-Q246 PolarHBondContact O-N 3.45Å |
| 243 | F | 98.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 175.8 | -72.9 | -6.5 | 0 | 0 | 0 | 111.9 | F220 W239 T245 Q246 L247 I273 D276 L277 F295 | F220-F243 HydrophobicContact CD1-CE2 4.06Å; F220-F243 AromaticContact CD1-CZ 3.88Å; F220-F243 HydrophobicContact CD1-CZ 3.88Å; F220-F243 AromaticContact CE1-CE2 3.8Å; F220-F243 HydrophobicContact CE1-CE2 3.8Å; F220-F243 HydrophobicContact CE1-CZ 4.08Å; F220-F243 HydrophobicContact CG-CZ 4.21Å; F220-F243 HydrophobicContact CZ-CE2 4.25Å; W239-F243 AromaticContact CE3-CE1 3.92Å; W239-F243 HydrophobicContact CE3-CE1 3.92Å; W239-F243 AromaticContact CE3-CZ 3.95Å; W239-F243 HydrophobicContact CE3-CZ 3.95Å; W239-F243 HydrophobicContact CZ3-CE1 4.18Å; W239-F243 HydrophobicContact CZ3-CZ 4.32Å; W239-F243 WeakPolarHBondContact O-CG 3.48Å; W239-F243 PolarHBondContact O-N 3.02Å; F243-T245 VanDerWaalsContact C-N 3.33Å; F243-T245 PolarHBondContact O-N 3.18Å; F243-Q246 VanDerWaalsContact CD1-OE1 3.28Å; F243-Q246 PolarHBondContact O-N 3.38Å; F243-L247 WeakPolarHBondContact O-CB 3.38Å; F243-L247 VanDerWaalsContact O-CG 3.32Å; F243-L247 WeakPolarHBondContact O-CG 3.49Å; F243-L247 PolarHBondContact O-N 2.91Å; F243-I273 HydrophobicContact CB-CG2 3.85Å; F243-I273 HydrophobicContact CD1-CD1 4.08Å; F243-I273 HydrophobicContact CD1-CG1 3.98Å; F243-I273 HydrophobicContact CD1-CG2 4.38Å; F243-I273 HydrophobicContact CD2-CG2 4.02Å; F243-I273 HydrophobicContact CE1-CG1 4.14Å; F243-I273 HydrophobicContact CG-CG1 4.31Å; F243-I273 HydrophobicContact CG-CG2 3.85Å; F243-D276 HydrophobicContact CE2-CB 3.94Å; F243-D276 HydrophobicContact CZ-CB 4.43Å; F243-L277 HydrophobicContact CD2-CD2 4.49Å; F243-F295 HydrophobicContact CB-CE1 3.92Å; F243-F295 HydrophobicContact CB-CZ 4.02Å |
| 244 | C | 97.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 172.8 | -76.6 | 0 | 0 | 0 | 0 | 111.7 | M240 N241 A242 A248 R294 F295 I298 | M240-C244 WeakPolarHBondContact O-CB 3.43Å; M240-C244 PolarHBondContact O-N 2.76Å; M240-C244 PolarHBondContact O-SG 3.39Å; N241-C244 WeakPolarHBondContact O-CB 3.46Å; N241-C244 PolarHBondContact O-N 2.92Å; A242-C244 PolarHBondContact O-N 3.26Å; C244-A248 WeakPolarHBondContact O-CB 3.01Å; C244-A248 PolarHBondContact O-N 3.1Å; C244-A248 VanDerWaalsContact O-N 3.08Å; C244-R294 VanDerWaalsContact SG-CD 3.59Å; C244-F295 HydrophobicContact CB-CE1 4.32Å; C244-F295 WeakPolarHBondContact SG-CE1 3.26Å; C244-F295 WeakPolarHBondContact SG-CZ 3.39Å; C244-I298 HydrophobicContact CB-CD1 4.15Å |
| 245 | T | 96.1 | Very high | 90.7 | Very high | 52 Ų | 52 | 43 Ų | 43 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 179.4 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | V188 N241 A242 F243 A248 W249 | V188-T245 HydrophobicContact CG1-CG2 4.44Å; N241-T245 PolarHBondContact O-N 3.32Å; N241-T245 PolarHBondContact O-OG1 2.72Å; A242-T245 PolarHBondContact O-N 2.95Å; A242-T245 VanDerWaalsContact O-N 3.15Å; F243-T245 VanDerWaalsContact C-N 3.33Å; F243-T245 PolarHBondContact O-N 3.18Å; T245-A248 PolarHBondContact O-N 3.35Å; T245-W249 HydrophobicContact CG2-CZ2 4.3Å; T245-W249 VanDerWaalsContact O-CD1 3.24Å; T245-W249 PolarHBondContact O-N 3.31Å; T245-W249 VanDerWaalsContact O-N 3.16Å |
| 246 | Q | 97.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | -179.5 | -71 | 165.8 | -22.8 | 0 | 0 | 112.6 | V188 A242 F243 A248 W249 L269 I273 | V188-Q246 HydrophobicContact CG2-CG 4.12Å; A242-Q246 WeakPolarHBondContact O-CB 3.36Å; A242-Q246 VanDerWaalsContact O-CG 3.24Å; A242-Q246 WeakPolarHBondContact O-CG 3.41Å; A242-Q246 PolarHBondContact O-N 3.45Å; F243-Q246 VanDerWaalsContact CD1-OE1 3.28Å; F243-Q246 PolarHBondContact O-N 3.38Å; Q246-A248 VanDerWaalsContact C-N 3.29Å; Q246-A248 PolarHBondContact O-N 2.87Å; Q246-W249 HydrophobicContact CB-CE3 4.15Å; Q246-W249 HydrophobicContact CB-CH2 4.38Å; Q246-W249 HydrophobicContact CB-CZ3 4.04Å; Q246-W249 HydrophobicContact CG-CE3 4.2Å; Q246-W249 HydrophobicContact CG-CH2 3.55Å; Q246-W249 HydrophobicContact CG-CZ2 4.06Å; Q246-W249 HydrophobicContact CG-CZ3 3.63Å; Q246-W249 PolarHBondContact O-N 3.35Å; Q246-L269 HydrophobicContact CB-CD2 4.3Å; Q246-L269 HydrophobicContact CG-CD2 4.36Å; Q246-I273 HydrophobicContact CB-CD1 3.83Å; Q246-I273 VanDerWaalsContact OE1-CD1 3.32Å |
| 247 | L | 97.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 175.6 | -74.3 | 174.6 | 0 | 0 | 0 | 111.9 | F243 R270 I273 L277 F295 I298 V299 L302 | F243-L247 WeakPolarHBondContact O-CB 3.38Å; F243-L247 VanDerWaalsContact O-CG 3.32Å; F243-L247 WeakPolarHBondContact O-CG 3.49Å; F243-L247 PolarHBondContact O-N 2.91Å; L247-R270 HydrophobicContact CD2-CB 3.92Å; L247-R270 HydrophobicContact CD2-CG 3.84Å; L247-I273 HydrophobicContact CD1-CG2 3.76Å; L247-I273 HydrophobicContact CD2-CB 4.17Å; L247-I273 HydrophobicContact CD2-CD1 4.46Å; L247-I273 HydrophobicContact CD2-CG2 4.03Å; L247-I273 HydrophobicContact CG-CB 4.45Å; L247-I273 HydrophobicContact CG-CD1 4.38Å; L247-I273 HydrophobicContact CG-CG2 3.84Å; L247-L277 HydrophobicContact CD1-CD1 3.88Å; L247-F295 HydrophobicContact CD1-CD1 3.88Å; L247-F295 HydrophobicContact CD1-CE1 4.06Å; L247-I298 HydrophobicContact CB-CG2 3.59Å; L247-I298 HydrophobicContact CD1-CG2 4.41Å; L247-V299 HydrophobicContact CD1-CG2 4.09Å; L247-L302 HydrophobicContact CD2-CD2 4.48Å |
| 248 | A | 93.4 | Very high | 88.1 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | C244 T245 Q246 D250 | C244-A248 WeakPolarHBondContact O-CB 3.01Å; C244-A248 PolarHBondContact O-N 3.1Å; C244-A248 VanDerWaalsContact O-N 3.08Å; T245-A248 PolarHBondContact O-N 3.35Å; Q246-A248 VanDerWaalsContact C-N 3.29Å; Q246-A248 PolarHBondContact O-N 2.87Å; A248-D250 PolarHBondContact O-N 3.46Å |
| 249 | W | 92.7 | Very high | 87.3 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | trans | -60.1 | 127.3 | 175.3 | -74.6 | -27.1 | 0 | 0 | 0 | 110.8 | V188 V191 V192 L213 T245 Q246 F251 L266 L269 R270 | V188-W249 HydrophobicContact CG1-CZ2 4.13Å; V188-W249 HydrophobicContact CG2-CH2 4.41Å; V191-W249 HydrophobicContact CB-CH2 3.63Å; V191-W249 HydrophobicContact CB-CZ2 3.77Å; V191-W249 HydrophobicContact CB-CZ3 4.29Å; V191-W249 HydrophobicContact CG1-CD2 4.1Å; V191-W249 HydrophobicContact CG1-CE3 4.09Å; V191-W249 HydrophobicContact CG1-CH2 3.54Å; V191-W249 HydrophobicContact CG1-CZ2 3.55Å; V191-W249 HydrophobicContact CG1-CZ3 3.82Å; V191-W249 HydrophobicContact CG2-CH2 3.88Å; V191-W249 HydrophobicContact CG2-CZ3 4.29Å; V192-W249 HydrophobicContact CG2-CZ2 4.34Å; L213-W249 HydrophobicContact CD1-CH2 3.77Å; L213-W249 HydrophobicContact CD1-CZ3 3.94Å; T245-W249 HydrophobicContact CG2-CZ2 4.3Å; T245-W249 VanDerWaalsContact O-CD1 3.24Å; T245-W249 PolarHBondContact O-N 3.31Å; T245-W249 VanDerWaalsContact O-N 3.16Å; Q246-W249 HydrophobicContact CB-CE3 4.15Å; Q246-W249 HydrophobicContact CB-CH2 4.38Å; Q246-W249 HydrophobicContact CB-CZ3 4.04Å; Q246-W249 HydrophobicContact CG-CE3 4.2Å; Q246-W249 HydrophobicContact CG-CH2 3.55Å; Q246-W249 HydrophobicContact CG-CZ2 4.06Å; Q246-W249 HydrophobicContact CG-CZ3 3.63Å; Q246-W249 PolarHBondContact O-N 3.35Å; W249-F251 HydrophobicContact CB-CE1 4.05Å; W249-F251 HydrophobicContact CB-CE2 4.35Å; W249-F251 HydrophobicContact CB-CZ 3.83Å; W249-F251 HydrophobicContact CD2-CZ 4.06Å; W249-F251 HydrophobicContact CE3-CZ 4.2Å; W249-F251 HydrophobicContact CG-CE1 4.24Å; W249-F251 AromaticContact CG-CZ 3.93Å; W249-F251 HydrophobicContact CG-CZ 3.93Å; W249-L266 HydrophobicContact CE3-CD1 3.84Å; W249-L269 HydrophobicContact CZ3-CD2 4.24Å; W249-R270 PolarHBondContact O-NH2 3.29Å | ||
| 250 | D | 86 | Confident | 86.3 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | trans | -125.7 | 102.9 | 176.5 | -167 | -4.9 | 0 | 0 | 0 | 108.9 | A248 D252 K305 | A248-D250 PolarHBondContact O-N 3.46Å; D250-D252 PolarHBondContact OD1-N 2.99Å; D250-K305 IonicContact OD2-NZ 3.97Å | ||
| 251 | F | 83 | Confident | 85.6 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | trans | -96.9 | -14 | 178.8 | -56 | -37.8 | 0 | 0 | 0 | 112.4 | V191 T195 I210 W249 G253 K254 I255 M257 L266 | V191-F251 HydrophobicContact CG1-CZ 3.88Å; T195-F251 HydrophobicContact CG2-CD1 4.08Å; T195-F251 HydrophobicContact CG2-CE1 3.47Å; T195-F251 VanDerWaalsContact CG2-CE1 3.47Å; T195-F251 HydrophobicContact CG2-CZ 3.97Å; I210-F251 HydrophobicContact CD1-CE2 3.98Å; W249-F251 HydrophobicContact CB-CE1 4.05Å; W249-F251 HydrophobicContact CB-CE2 4.35Å; W249-F251 HydrophobicContact CB-CZ 3.83Å; W249-F251 HydrophobicContact CD2-CZ 4.06Å; W249-F251 HydrophobicContact CE3-CZ 4.2Å; W249-F251 HydrophobicContact CG-CE1 4.24Å; W249-F251 AromaticContact CG-CZ 3.93Å; W249-F251 HydrophobicContact CG-CZ 3.93Å; F251-G253 PolarHBondContact O-N 3.2Å; F251-K254 PolarHBondContact O-N 3.44Å; F251-I255 HydrophobicContact CB-CB 4.4Å; F251-I255 HydrophobicContact CD1-CD1 4.48Å; F251-I255 PolarHBondContact O-N 3.21Å; F251-M257 HydrophobicContact CD2-CG 4.08Å; F251-L266 HydrophobicContact CD2-CD2 3.63Å; F251-L266 HydrophobicContact CE2-CD2 3.7Å | ||
| 252 | D | 64.2 | Low | 85.1 | Confident | 123 Ų | 123 | 57.8 Ų | 57.8 | 66% | 0.658 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 100.1 | -170 | -74.4 | -21.1 | 0 | 0 | 0 | 110 | D250 | D250-D252 PolarHBondContact OD1-N 2.99Š|
| 253 | G | 66 | Low | 84.8 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 88% | 0.876 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.7 | -23.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F251 | F251-G253 PolarHBondContact O-N 3.2Š|
| 254 | K | 70.5 | Confident | 84.5 | Confident | 187 Ų | 187 | 59.5 Ų | 59.5 | 81% | 0.813 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -39.6 | -179.8 | -64.3 | -179.3 | -176.9 | 173.6 | 0 | 113.3 | F251 | F251-K254 PolarHBondContact O-N 3.44Š|
| 255 | I | 78.5 | Confident | 84.2 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | trans | -138.8 | 108 | -171.6 | -54.6 | 158.9 | 0 | 0 | 0 | 108.6 | T195 V201 V203 L206 F251 M257 | T195-I255 HydrophobicContact CG2-CD1 3.89Å; V201-I255 HydrophobicContact CB-CD1 4.22Å; V201-I255 HydrophobicContact CB-CG1 4.31Å; V201-I255 HydrophobicContact CG1-CD1 4.08Å; V201-I255 HydrophobicContact CG2-CD1 3.77Å; V201-I255 HydrophobicContact CG2-CG1 4.01Å; V203-I255 HydrophobicContact CG2-CG2 3.9Å; L206-I255 HydrophobicContact CD2-CD1 4.32Å; L206-I255 HydrophobicContact CD2-CG2 4.2Å; F251-I255 HydrophobicContact CB-CB 4.4Å; F251-I255 HydrophobicContact CD1-CD1 4.48Å; F251-I255 PolarHBondContact O-N 3.21Å; I255-M257 HydrophobicContact CG2-CG 4.4Å; I255-M257 HydrophobicContact CG2-SD 4.15Å; I255-M257 PolarHBondContact O-N 3.3Å; I255-M257 VanDerWaalsContact O-N 3.08Å | ||
| 256 | K | 78.1 | Confident | 84.2 | Confident | 128 Ų | 128 | 58.7 Ų | 58.7 | 56% | 0.557 | 33% | 0.332 | S | S | * | . | trans | -73.9 | 102.7 | 175 | -171.7 | 161.7 | -169.4 | 157.7 | 0 | 109.6 | G258 D260 | K256-G258 WeakPolarHBondContact CE-O 3.06Å; K256-G258 WeakPolarHBondContact CG-O 3.39Å; K256-D260 WeakPolarHBondContact CE-OD1 3.43Å; K256-D260 VanDerWaalsContact NZ-CG 3.28Å; K256-D260 IonicContact NZ-OD1 3.07Å; K256-D260 PolarHBondContact NZ-OD1 3.15Å; K256-D260 IonicContact NZ-OD2 2.82Å; K256-D260 PolarHBondContact NZ-OD2 2.98Å | ||
| 257 | M | 80.2 | Confident | 84.1 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | trans | -80.1 | -17.3 | -178.7 | -75.5 | -66.3 | -73 | 0 | 0 | 113.4 | V203 L206 K207 I210 F251 I255 T264 | V203-M257 HydrophobicContact CG1-SD 4.1Å; L206-M257 HydrophobicContact CD2-CE 4.21Å; L206-M257 HydrophobicContact CD2-SD 3.49Å; L206-M257 WeakPolarHBondContact CD2-SD 3.25Å; L206-M257 HydrophobicContact CG-CE 3.95Å; L206-M257 HydrophobicContact CG-SD 3.88Å; K207-M257 HydrophobicContact CB-CE 4.49Å; K207-M257 WeakPolarHBondContact CE-O 3.18Å; K207-M257 HydrophobicContact CG-CE 3.62Å; K207-M257 HydrophobicContact CG-SD 4.4Å; K207-M257 PolarHBondContact NZ-O 3.39Å; I210-M257 HydrophobicContact CD1-CE 3.67Å; F251-M257 HydrophobicContact CD2-CG 4.08Å; I255-M257 HydrophobicContact CG2-CG 4.4Å; I255-M257 HydrophobicContact CG2-SD 4.15Å; I255-M257 PolarHBondContact O-N 3.3Å; I255-M257 VanDerWaalsContact O-N 3.08Å; M257-T264 HydrophobicContact CB-CG2 3.85Å | ||
| 258 | G | 80.2 | Confident | 84 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -169.7 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K256 | K256-G258 WeakPolarHBondContact CE-O 3.06Å; K256-G258 WeakPolarHBondContact CG-O 3.39Å |
| 259 | P | 81.4 | Confident | 84.2 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | trans | -68.9 | 155.9 | 168.2 | 39.4 | -38.7 | 0 | 0 | 0 | 109.2 | D261 E262 | P259-D261 WeakPolarHBondContact CB-OD1 3.35Å; P259-D261 WeakPolarHBondContact CG-OD1 3.41Å; P259-D261 PolarHBondContact O-N 3.37Å; P259-E262 HydrophobicContact CG-CB 4.04Å; P259-E262 HydrophobicContact CG-CG 4.23Å; P259-E262 PolarHBondContact O-N 3.27Å | ||
| 260 | D | 78.6 | Confident | 84.5 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 59% | 0.594 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -10.3 | -168.7 | -52.4 | -44.4 | 0 | 0 | 0 | 112.9 | K256 N307 | K256-D260 WeakPolarHBondContact CE-OD1 3.43Å; K256-D260 VanDerWaalsContact NZ-CG 3.28Å; K256-D260 IonicContact NZ-OD1 3.07Å; K256-D260 PolarHBondContact NZ-OD1 3.15Å; K256-D260 IonicContact NZ-OD2 2.82Å; K256-D260 PolarHBondContact NZ-OD2 2.98Å; D260-N307 PolarHBondContact O-ND2 3.04Å |
| 261 | D | 84 | Confident | 85.1 | Confident | 90 Ų | 90 | 58.3 Ų | 58.3 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -15.4 | -178.6 | 55.7 | -17.9 | 0 | 0 | 0 | 114.1 | P259 L309 | P259-D261 WeakPolarHBondContact CB-OD1 3.35Å; P259-D261 WeakPolarHBondContact CG-OD1 3.41Å; P259-D261 PolarHBondContact O-N 3.37Å; D261-L309 HydrophobicContact CB-CD1 4.1Å |
| 262 | E | 87.1 | Confident | 85.8 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -118.2 | 141.3 | 179.2 | -64.7 | -172 | 166.5 | 0 | 0 | 112.8 | P259 T264 | P259-E262 HydrophobicContact CG-CB 4.04Å; P259-E262 HydrophobicContact CG-CG 4.23Å; P259-E262 PolarHBondContact O-N 3.27Å; E262-T264 PolarHBondContact O-N 2.87Å |
| 263 | P | 90.3 | Very high | 87.4 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | trans | -66.6 | 135 | 175.7 | 30.1 | -38 | 0 | 0 | 0 | 110.6 | D267 P311 | P263-D267 HydrophobicContact CB-CB 4.08Å; P263-P311 VanDerWaalsContact CD-CB 3.44Å; P263-P311 HydrophobicContact CG-CB 4.29Å; P263-P311 WeakPolarHBondContact CG-O 3.23Å | ||
| 264 | T | 92.2 | Very high | 89 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | trans | -82.1 | 168.3 | 177.9 | 73.9 | 0 | 0 | 0 | 0 | 110.9 | M257 E262 L266 D267 R268 | M257-T264 HydrophobicContact CB-CG2 3.85Å; E262-T264 PolarHBondContact O-N 2.87Å; T264-L266 PolarHBondContact O-N 2.8Å; T264-L266 VanDerWaalsContact O-N 3.14Å; T264-L266 PolarHBondContact OG1-N 3.31Å; T264-D267 WeakPolarHBondContact CB-OD2 3.36Å; T264-D267 PolarHBondContact N-OD2 3.08Å; T264-D267 PolarHBondContact O-N 2.92Å; T264-D267 PolarHBondContact OG1-OD2 2.95Å; T264-R268 PolarHBondContact O-N 3.37Å | ||
| 265 | P | 92.5 | Very high | 90.3 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 20% | 0.201 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.6 | -28.4 | 170.1 | -28 | 36.8 | 0 | 0 | 0 | 113.8 | K207 I210 L269 | K207-P265 HydrophobicContact CG-CG 4.45Å; I210-P265 HydrophobicContact CB-CB 4.27Å; I210-P265 VanDerWaalsContact CG2-C 3.46Å; I210-P265 HydrophobicContact CG2-CB 3.76Å; I210-P265 WeakPolarHBondContact CG2-O 3.42Å; P265-L269 WeakPolarHBondContact O-CB 3.43Å; P265-L269 PolarHBondContact O-N 3.29Å |
| 266 | L | 94.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.8 | -39.7 | 176.1 | 177.3 | 62.1 | 0 | 0 | 0 | 111.2 | I210 W249 F251 T264 R268 L269 R270 | I210-L266 HydrophobicContact CD1-CB 4.47Å; I210-L266 HydrophobicContact CG2-CB 4.44Å; W249-L266 HydrophobicContact CE3-CD1 3.84Å; F251-L266 HydrophobicContact CD2-CD2 3.63Å; F251-L266 HydrophobicContact CE2-CD2 3.7Å; T264-L266 PolarHBondContact O-N 2.8Å; T264-L266 VanDerWaalsContact O-N 3.14Å; T264-L266 PolarHBondContact OG1-N 3.31Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-L269 WeakPolarHBondContact O-CB 3.28Å; L266-L269 PolarHBondContact O-N 2.71Å; L266-R270 VanDerWaalsContact O-CG 3.32Å; L266-R270 WeakPolarHBondContact O-CG 3.38Å; L266-R270 PolarHBondContact O-N 3.31Å |
| 267 | D | 94.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 179.9 | -54.5 | -54.8 | 0 | 0 | 0 | 111 | P263 T264 R270 A271 W312 L315 | P263-D267 HydrophobicContact CB-CB 4.08Å; T264-D267 WeakPolarHBondContact CB-OD2 3.36Å; T264-D267 PolarHBondContact N-OD2 3.08Å; T264-D267 PolarHBondContact O-N 2.92Å; T264-D267 PolarHBondContact OG1-OD2 2.95Å; D267-R270 PolarHBondContact O-N 3.11Å; D267-R270 IonicContact OD1-NH1 3.95Å; D267-R270 PolarHBondContact OD1-NH1 3.24Å; D267-A271 WeakPolarHBondContact O-CB 3.33Å; D267-A271 PolarHBondContact O-N 3.12Å; D267-W312 HydrophobicContact CB-CE3 4.5Å; D267-W312 HydrophobicContact CB-CH2 4.39Å; D267-W312 HydrophobicContact CB-CZ3 4.01Å; D267-W312 WeakPolarHBondContact OD1-CH2 3.33Å; D267-W312 VanDerWaalsContact OD1-CZ3 3.25Å; D267-W312 WeakPolarHBondContact OD1-CZ3 3.48Å; D267-W312 VanDerWaalsContact OD2-CH2 3.27Å; D267-W312 WeakPolarHBondContact OD2-CH2 3.5Å; D267-L315 HydrophobicContact CB-CD2 4.14Å |
| 268 | R | 96.3 | Very high | 93 | Very high | 152 Ų | 152 | 36.2 Ų | 36.2 | 57% | 0.574 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.6 | -42.3 | 170.7 | -63 | -177.3 | -171.4 | 175.2 | 2.2 | 112.2 | V214 T264 L266 R270 A271 Q272 | V214-R268 HydrophobicContact CG2-CB 4.28Å; T264-R268 PolarHBondContact O-N 3.37Å; L266-R268 VanDerWaalsContact C-N 3.33Å; R268-R270 VanDerWaalsContact C-N 3.35Å; R268-A271 PolarHBondContact O-N 2.79Å; R268-Q272 PolarHBondContact O-N 2.89Å |
| 269 | L | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 175.1 | 174.8 | 59.9 | 0 | 0 | 0 | 110.9 | I210 L213 V214 A217 Q246 W249 P265 L266 A271 Q272 I273 | I210-L269 HydrophobicContact CG2-CB 4.34Å; I210-L269 HydrophobicContact CG2-CD2 4.2Å; L213-L269 HydrophobicContact CB-CD1 4.02Å; L213-L269 HydrophobicContact CB-CD2 3.81Å; L213-L269 HydrophobicContact CD1-CD2 4.15Å; V214-L269 HydrophobicContact CG2-CB 3.77Å; A217-L269 HydrophobicContact CB-CD1 4.17Å; Q246-L269 HydrophobicContact CB-CD2 4.3Å; Q246-L269 HydrophobicContact CG-CD2 4.36Å; W249-L269 HydrophobicContact CZ3-CD2 4.24Å; P265-L269 WeakPolarHBondContact O-CB 3.43Å; P265-L269 PolarHBondContact O-N 3.29Å; L266-L269 WeakPolarHBondContact O-CB 3.28Å; L266-L269 PolarHBondContact O-N 2.71Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.29Å; L269-Q272 PolarHBondContact O-N 3.36Å; L269-I273 HydrophobicContact CD1-CD1 3.82Å; L269-I273 HydrophobicContact CD1-CG1 4.07Å; L269-I273 HydrophobicContact CG-CD1 3.79Å; L269-I273 HydrophobicContact CG-CG1 4.45Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.5Å; L269-I273 PolarHBondContact O-N 3.08Å |
| 270 | R | 97.9 | Very high | 94.5 | Very high | 22 Ų | 22 | 33 Ų | 33 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 177.5 | -71.9 | 162.8 | 167 | 168.5 | -7.5 | 112 | L247 W249 L266 D267 R268 I273 C274 L302 L315 | L247-R270 HydrophobicContact CD2-CB 3.92Å; L247-R270 HydrophobicContact CD2-CG 3.84Å; W249-R270 PolarHBondContact O-NH2 3.29Å; L266-R270 VanDerWaalsContact O-CG 3.32Å; L266-R270 WeakPolarHBondContact O-CG 3.38Å; L266-R270 PolarHBondContact O-N 3.31Å; D267-R270 PolarHBondContact O-N 3.11Å; D267-R270 IonicContact OD1-NH1 3.95Å; D267-R270 PolarHBondContact OD1-NH1 3.24Å; R268-R270 VanDerWaalsContact C-N 3.35Å; R270-I273 PolarHBondContact O-N 2.94Å; R270-C274 PolarHBondContact O-N 3.23Å; R270-C274 PolarHBondContact O-SG 3.39Å; R270-L302 HydrophobicContact CB-CD2 4.21Å; R270-L302 HydrophobicContact CG-CD2 4.27Å; R270-L315 HydrophobicContact CB-CD1 3.55Å |
| 271 | A | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D267 R268 L269 I273 C274 D275 N314 L315 N318 | D267-A271 WeakPolarHBondContact O-CB 3.33Å; D267-A271 PolarHBondContact O-N 3.12Å; R268-A271 PolarHBondContact O-N 2.79Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.29Å; A271-I273 PolarHBondContact O-N 3.36Å; A271-C274 WeakPolarHBondContact O-CB 3.25Å; A271-C274 PolarHBondContact O-N 3.15Å; A271-D275 PolarHBondContact O-N 3.4Å; A271-N314 WeakPolarHBondContact CB-ND2 3.25Å; A271-L315 HydrophobicContact CB-CB 4.4Å; A271-L315 HydrophobicContact CB-CD1 4.16Å; A271-N318 HydrophobicContact CB-CB 4.42Å; A271-N318 WeakPolarHBondContact O-CB 3.43Å; A271-N318 PolarHBondContact O-ND2 3.22Å |
| 272 | Q | 98.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 176.8 | -178.5 | 57.7 | 46.5 | 0 | 0 | 112.1 | A217 E218 R268 L269 C274 D275 D276 | A217-Q272 HydrophobicContact CB-CB 4.3Å; A217-Q272 HydrophobicContact CB-CG 3.51Å; E218-Q272 HydrophobicContact CG-CG 4.04Å; R268-Q272 PolarHBondContact O-N 2.89Å; L269-Q272 PolarHBondContact O-N 3.36Å; Q272-C274 VanDerWaalsContact C-N 3.28Å; Q272-C274 PolarHBondContact O-N 2.91Å; Q272-D275 WeakPolarHBondContact O-CB 3.24Å; Q272-D275 PolarHBondContact O-N 3.45Å; Q272-D276 PolarHBondContact NE2-OD1 2.83Å; Q272-D276 PolarHBondContact O-N 3.29Å |
| 273 | I | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 176.7 | -67.6 | 167.3 | 0 | 0 | 0 | 110.7 | F243 Q246 L247 L269 R270 A271 D275 D276 L277 | F243-I273 HydrophobicContact CB-CG2 3.85Å; F243-I273 HydrophobicContact CD1-CD1 4.08Å; F243-I273 HydrophobicContact CD1-CG1 3.98Å; F243-I273 HydrophobicContact CD1-CG2 4.38Å; F243-I273 HydrophobicContact CD2-CG2 4.02Å; F243-I273 HydrophobicContact CE1-CG1 4.14Å; F243-I273 HydrophobicContact CG-CG1 4.31Å; F243-I273 HydrophobicContact CG-CG2 3.85Å; Q246-I273 HydrophobicContact CB-CD1 3.83Å; Q246-I273 VanDerWaalsContact OE1-CD1 3.32Å; L247-I273 HydrophobicContact CD1-CG2 3.76Å; L247-I273 HydrophobicContact CD2-CB 4.17Å; L247-I273 HydrophobicContact CD2-CD1 4.46Å; L247-I273 HydrophobicContact CD2-CG2 4.03Å; L247-I273 HydrophobicContact CG-CB 4.45Å; L247-I273 HydrophobicContact CG-CD1 4.38Å; L247-I273 HydrophobicContact CG-CG2 3.84Å; L269-I273 HydrophobicContact CD1-CD1 3.82Å; L269-I273 HydrophobicContact CD1-CG1 4.07Å; L269-I273 HydrophobicContact CG-CD1 3.79Å; L269-I273 HydrophobicContact CG-CG1 4.45Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.5Å; L269-I273 PolarHBondContact O-N 3.08Å; R270-I273 PolarHBondContact O-N 2.94Å; A271-I273 PolarHBondContact O-N 3.36Å; I273-D275 VanDerWaalsContact C-N 3.26Å; I273-D275 PolarHBondContact O-N 2.93Å; I273-D276 WeakPolarHBondContact O-CB 3.42Å; I273-D276 PolarHBondContact O-N 2.91Å; I273-L277 HydrophobicContact CG2-CD1 3.93Å; I273-L277 HydrophobicContact CG2-CG 4.1Å; I273-L277 WeakPolarHBondContact O-CB 3.47Å; I273-L277 WeakPolarHBondContact O-CG 3.5Å; I273-L277 PolarHBondContact O-N 2.66Å |
| 274 | C | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.8 | -34.9 | 175.1 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | R270 A271 Q272 T278 N318 | R270-C274 PolarHBondContact O-N 3.23Å; R270-C274 PolarHBondContact O-SG 3.39Å; A271-C274 WeakPolarHBondContact O-CB 3.25Å; A271-C274 PolarHBondContact O-N 3.15Å; Q272-C274 VanDerWaalsContact C-N 3.28Å; Q272-C274 PolarHBondContact O-N 2.91Å; C274-T278 WeakPolarHBondContact O-CB 3.46Å; C274-T278 PolarHBondContact O-N 3.47Å; C274-T278 PolarHBondContact O-OG1 2.69Å; C274-N318 HydrophobicContact CB-CB 3.78Å |
| 275 | D | 97.9 | Very high | 96.1 | Very high | 48 Ų | 48 | 26.9 Ų | 26.9 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -69 | -42.7 | 173.6 | -71.1 | -15.4 | 0 | 0 | 0 | 111.6 | Y221 A271 Q272 I273 L277 T278 L279 N318 | Y221-D275 HydrophobicContact CD2-CB 4.41Å; Y221-D275 HydrophobicContact CE2-CB 4.21Å; A271-D275 PolarHBondContact O-N 3.4Å; Q272-D275 WeakPolarHBondContact O-CB 3.24Å; Q272-D275 PolarHBondContact O-N 3.45Å; I273-D275 VanDerWaalsContact C-N 3.26Å; I273-D275 PolarHBondContact O-N 2.93Å; D275-L277 VanDerWaalsContact C-N 3.32Å; D275-L277 PolarHBondContact O-N 2.94Å; D275-T278 WeakPolarHBondContact O-CB 3.35Å; D275-T278 PolarHBondContact O-N 3.42Å; D275-T278 VanDerWaalsContact O-N 3.15Å; D275-L279 PolarHBondContact O-N 3.31Å; D275-N318 WeakPolarHBondContact OD1-CB 3.35Å; D275-N318 PolarHBondContact OD1-ND2 2.99Å; D275-N318 PolarHBondContact OD2-ND2 3.5Å |
| 276 | D | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 174.1 | -63.3 | -44.5 | 0 | 0 | 0 | 111.2 | F220 Y221 F243 Q272 I273 T278 L279 Y280 | F220-D276 HydrophobicContact CD1-CB 4.2Å; F220-D276 HydrophobicContact CE1-CB 4.23Å; Y221-D276 WeakPolarHBondContact CA-OD1 3.49Å; Y221-D276 WeakPolarHBondContact CB-OD1 3.25Å; Y221-D276 WeakPolarHBondContact CD2-OD1 3.4Å; Y221-D276 PolarHBondContact N-OD1 2.98Å; F243-D276 HydrophobicContact CE2-CB 3.94Å; F243-D276 HydrophobicContact CZ-CB 4.43Å; Q272-D276 PolarHBondContact NE2-OD1 2.83Å; Q272-D276 PolarHBondContact O-N 3.29Å; I273-D276 WeakPolarHBondContact O-CB 3.42Å; I273-D276 PolarHBondContact O-N 2.91Å; D276-T278 VanDerWaalsContact C-N 3.32Å; D276-T278 PolarHBondContact O-N 3.49Å; D276-L279 WeakPolarHBondContact O-CB 3.43Å; D276-L279 PolarHBondContact O-N 3.35Å; D276-Y280 WeakPolarHBondContact O-CD2 3.09Å; D276-Y280 PolarHBondContact O-N 3.29Å; D276-Y280 VanDerWaalsContact O-N 3.1Å |
| 277 | L | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -35.5 | 177.8 | -65.3 | 174.1 | 0 | 0 | 0 | 112.1 | M240 F243 L247 I273 D275 Y280 A281 F288 F295 V299 F322 | M240-L277 HydrophobicContact SD-CD2 4.23Å; F243-L277 HydrophobicContact CD2-CD2 4.49Å; L247-L277 HydrophobicContact CD1-CD1 3.88Å; I273-L277 HydrophobicContact CG2-CD1 3.93Å; I273-L277 HydrophobicContact CG2-CG 4.1Å; I273-L277 WeakPolarHBondContact O-CB 3.47Å; I273-L277 WeakPolarHBondContact O-CG 3.5Å; I273-L277 PolarHBondContact O-N 2.66Å; D275-L277 VanDerWaalsContact C-N 3.32Å; D275-L277 PolarHBondContact O-N 2.94Å; L277-Y280 PolarHBondContact O-N 2.98Å; L277-A281 VanDerWaalsContact O-CB 3.29Å; L277-A281 WeakPolarHBondContact O-CB 3.47Å; L277-A281 PolarHBondContact O-N 3.06Å; L277-F288 HydrophobicContact CD2-CE2 3.71Å; L277-F288 HydrophobicContact CD2-CZ 3.97Å; L277-F295 HydrophobicContact CD1-CB 4.25Å; L277-F295 HydrophobicContact CD1-CD1 3.49Å; L277-F295 VanDerWaalsContact CD1-CD1 3.49Å; L277-F295 HydrophobicContact CD1-CE1 3.88Å; L277-F295 HydrophobicContact CD1-CG 3.9Å; L277-F295 HydrophobicContact CD2-CD1 3.88Å; L277-F295 HydrophobicContact CD2-CD2 3.79Å; L277-F295 HydrophobicContact CD2-CE1 3.71Å; L277-F295 HydrophobicContact CD2-CE2 3.61Å; L277-F295 HydrophobicContact CD2-CG 3.91Å; L277-F295 HydrophobicContact CD2-CZ 3.57Å; L277-F295 HydrophobicContact CG-CD1 4.36Å; L277-F295 HydrophobicContact CG-CE1 4.42Å; L277-V299 HydrophobicContact CD1-CG2 4.46Å; L277-F322 HydrophobicContact CB-CD2 3.56Å; L277-F322 HydrophobicContact CB-CE2 3.58Å; L277-F322 HydrophobicContact CB-CG 4.31Å; L277-F322 HydrophobicContact CB-CZ 4.34Å; L277-F322 HydrophobicContact CD1-CE2 4.46Å; L277-F322 HydrophobicContact CD1-CZ 4.43Å |
| 278 | T | 97 | Very high | 96.1 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | C274 D275 D276 Y280 A281 Q282 F322 T325 | C274-T278 WeakPolarHBondContact O-CB 3.46Å; C274-T278 PolarHBondContact O-N 3.47Å; C274-T278 PolarHBondContact O-OG1 2.69Å; D275-T278 WeakPolarHBondContact O-CB 3.35Å; D275-T278 PolarHBondContact O-N 3.42Å; D275-T278 VanDerWaalsContact O-N 3.15Å; D276-T278 VanDerWaalsContact C-N 3.32Å; D276-T278 PolarHBondContact O-N 3.49Å; T278-Y280 PolarHBondContact O-N 3.39Å; T278-A281 PolarHBondContact O-N 3.16Å; T278-Q282 HydrophobicContact CG2-CG 4.41Å; T278-Q282 WeakPolarHBondContact O-CB 3.44Å; T278-Q282 VanDerWaalsContact O-CG 3.26Å; T278-Q282 WeakPolarHBondContact O-CG 3.27Å; T278-Q282 PolarHBondContact O-N 3.27Å; T278-F322 VanDerWaalsContact OG1-CA 3.23Å; T278-F322 WeakPolarHBondContact OG1-CA 3.34Å; T278-F322 WeakPolarHBondContact OG1-CB 3.43Å; T278-F322 PolarHBondContact OG1-N 3.31Å; T278-T325 HydrophobicContact CG2-CG2 4.48Å |
| 279 | L | 96.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.9 | -49.6 | 174.8 | 169.5 | 65.2 | 0 | 0 | 0 | 111.5 | Y221 N224 V225 D275 D276 Q282 S283 Y284 | Y221-L279 HydrophobicContact CD2-CB 4.41Å; Y221-L279 HydrophobicContact CD2-CD2 3.97Å; Y221-L279 HydrophobicContact CE2-CB 3.84Å; Y221-L279 HydrophobicContact CE2-CD2 3.92Å; Y221-L279 HydrophobicContact CE2-CG 4.43Å; Y221-L279 HydrophobicContact CG-CD2 4.44Å; N224-L279 HydrophobicContact CB-CD2 4.22Å; V225-L279 HydrophobicContact CB-CD2 4.37Å; V225-L279 HydrophobicContact CG2-CD1 4.37Å; D275-L279 PolarHBondContact O-N 3.31Å; D276-L279 WeakPolarHBondContact O-CB 3.43Å; D276-L279 PolarHBondContact O-N 3.35Å; L279-Q282 PolarHBondContact O-N 2.84Å; L279-S283 WeakPolarHBondContact O-CB 3.25Å; L279-S283 PolarHBondContact O-N 3.08Å; L279-S283 PolarHBondContact O-OG 3.4Å; L279-Y284 HydrophobicContact CG-CE2 4.42Å |
| 280 | Y | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 178.9 | -89.4 | -107.3 | 0 | 0 | 0 | 112.1 | F220 N224 L228 M236 M240 D276 L277 T278 Q282 S283 Y284 F288 | F220-Y280 HydrophobicContact CE1-CD2 4.31Å; F220-Y280 AromaticContact CE1-CE2 3.47Å; F220-Y280 HydrophobicContact CE1-CE2 3.47Å; F220-Y280 VanDerWaalsContact CE1-CE2 3.47Å; F220-Y280 AromaticContact CZ-CE2 3.54Å; F220-Y280 HydrophobicContact CZ-CE2 3.54Å; F220-Y280 AromaticContact CZ-CZ 3.61Å; F220-Y280 WeakPolarHBondContact CZ-OH 3.41Å; N224-Y280 HydrophobicContact CB-CE2 4.08Å; N224-Y280 PolarHBondContact OD1-OH 3.47Å; L228-Y280 HydrophobicContact CD1-CE1 3.83Å; L228-Y280 WeakPolarHBondContact CD1-OH 3.48Å; M236-Y280 HydrophobicContact CE-CD1 3.82Å; M236-Y280 HydrophobicContact CE-CE1 3.78Å; M236-Y280 HydrophobicContact CG-CE1 4.48Å; M236-Y280 HydrophobicContact SD-CE1 4.3Å; M240-Y280 HydrophobicContact CE-CD1 3.63Å; M240-Y280 HydrophobicContact CE-CD2 4.5Å; M240-Y280 HydrophobicContact CE-CE1 3.67Å; M240-Y280 HydrophobicContact CE-CG 4.06Å; D276-Y280 WeakPolarHBondContact O-CD2 3.09Å; D276-Y280 PolarHBondContact O-N 3.29Å; D276-Y280 VanDerWaalsContact O-N 3.1Å; L277-Y280 PolarHBondContact O-N 2.98Å; T278-Y280 PolarHBondContact O-N 3.39Å; Y280-Q282 PolarHBondContact O-N 3.06Å; Y280-S283 PolarHBondContact O-N 2.98Å; Y280-Y284 AromaticContact CD1-CD2 3.91Å; Y280-Y284 HydrophobicContact CD1-CD2 3.91Å; Y280-Y284 HydrophobicContact CD2-CD2 4.13Å; Y280-Y284 HydrophobicContact CE1-CD2 4.06Å; Y280-Y284 HydrophobicContact CE2-CD2 4.29Å; Y280-Y284 HydrophobicContact CE2-CE2 4.5Å; Y280-Y284 AromaticContact CG-CD2 3.96Å; Y280-Y284 HydrophobicContact CG-CD2 3.96Å; Y280-Y284 CarbonylContact O-C 3.54Å; Y280-Y284 VanDerWaalsContact O-C 3.3Å; Y280-Y284 WeakPolarHBondContact O-CA 3.46Å; Y280-Y284 PolarHBondContact O-N 3.37Å; Y280-F288 HydrophobicContact CD1-CD2 4.41Å; Y280-F288 HydrophobicContact CG-CD2 4.47Å |
| 281 | A | 94.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -30.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L277 T278 F288 F322 T325 V326 Y331 | L277-A281 VanDerWaalsContact O-CB 3.29Å; L277-A281 WeakPolarHBondContact O-CB 3.47Å; L277-A281 PolarHBondContact O-N 3.06Å; T278-A281 PolarHBondContact O-N 3.16Å; A281-F288 HydrophobicContact CB-CD1 3.96Å; A281-F288 HydrophobicContact CB-CE1 3.9Å; A281-F322 HydrophobicContact CB-CE2 4.48Å; A281-T325 HydrophobicContact CB-CG2 3.78Å; A281-V326 HydrophobicContact CB-CG1 3.97Å; A281-Y331 WeakPolarHBondContact CA-OH 3.48Å; A281-Y331 HydrophobicContact CB-CE2 4.02Å; A281-Y331 PolarHBondContact O-OH 3.25Å |
| 282 | Q | 94.2 | Very high | 95.1 | Very high | 103 Ų | 103 | 37.9 Ų | 37.9 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -80 | -46.9 | 178.5 | -71.9 | 177.5 | -3.4 | 0 | 0 | 112.5 | T278 L279 Y280 T325 K329 | T278-Q282 HydrophobicContact CG2-CG 4.41Å; T278-Q282 WeakPolarHBondContact O-CB 3.44Å; T278-Q282 VanDerWaalsContact O-CG 3.26Å; T278-Q282 WeakPolarHBondContact O-CG 3.27Å; T278-Q282 PolarHBondContact O-N 3.27Å; L279-Q282 PolarHBondContact O-N 2.84Å; Y280-Q282 PolarHBondContact O-N 3.06Å; Q282-T325 HydrophobicContact CG-CG2 3.43Å; Q282-T325 VanDerWaalsContact CG-CG2 3.43Å; Q282-T325 PolarHBondContact NE2-OG1 3.4Å; Q282-K329 PolarHBondContact O-NZ 3.49Å; Q282-K329 VanDerWaalsContact O-NZ 3.1Å |
| 283 | S | 93.1 | Very high | 94.8 | Very high | 65 Ų | 65 | 39.1 Ų | 39.1 | 46% | 0.455 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -103.1 | -28 | -164.5 | -50.9 | 0 | 0 | 0 | 0 | 114.2 | L279 Y280 | L279-S283 WeakPolarHBondContact O-CB 3.25Å; L279-S283 PolarHBondContact O-N 3.08Å; L279-S283 PolarHBondContact O-OG 3.4Å; Y280-S283 PolarHBondContact O-N 2.98Å |
| 284 | Y | 94.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | trans | -128.1 | 59 | -170.9 | -48 | -47.6 | 0 | 0 | 0 | 110.7 | N224 D227 L228 L279 Y280 E287 F288 | N224-Y284 WeakPolarHBondContact O-CE2 3.39Å; N224-Y284 PolarHBondContact O-OH 2.94Å; D227-Y284 VanDerWaalsContact CA-OH 3.24Å; D227-Y284 WeakPolarHBondContact CA-OH 3.41Å; D227-Y284 PolarHBondContact N-OH 3.27Å; D227-Y284 PolarHBondContact O-OH 2.92Å; L228-Y284 HydrophobicContact CB-CD1 3.67Å; L228-Y284 HydrophobicContact CB-CD2 4.18Å; L228-Y284 HydrophobicContact CB-CE1 3.6Å; L228-Y284 HydrophobicContact CB-CE2 4.1Å; L228-Y284 HydrophobicContact CB-CG 4Å; L228-Y284 HydrophobicContact CD1-CD2 4.33Å; L228-Y284 HydrophobicContact CD2-CD1 4.39Å; L228-Y284 HydrophobicContact CD2-CG 4.18Å; L228-Y284 PolarHBondContact N-OH 3.46Å; L279-Y284 HydrophobicContact CG-CE2 4.42Å; Y280-Y284 AromaticContact CD1-CD2 3.91Å; Y280-Y284 HydrophobicContact CD1-CD2 3.91Å; Y280-Y284 HydrophobicContact CD2-CD2 4.13Å; Y280-Y284 HydrophobicContact CE1-CD2 4.06Å; Y280-Y284 HydrophobicContact CE2-CD2 4.29Å; Y280-Y284 HydrophobicContact CE2-CE2 4.5Å; Y280-Y284 AromaticContact CG-CD2 3.96Å; Y280-Y284 HydrophobicContact CG-CD2 3.96Å; Y280-Y284 CarbonylContact O-C 3.54Å; Y280-Y284 VanDerWaalsContact O-C 3.3Å; Y280-Y284 WeakPolarHBondContact O-CA 3.46Å; Y280-Y284 PolarHBondContact O-N 3.37Å; Y284-E287 VanDerWaalsContact C-OE2 3.27Å; Y284-F288 WeakPolarHBondContact O-CB 3.36Å; Y284-F288 PolarHBondContact O-N 3.25Å | ||
| 285 | D | 89.7 | Confident | 94.3 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.7 | -46.1 | -166 | -161.9 | -25 | 0 | 0 | 0 | 112.9 | E287 F288 T289 K329 Y331 | D285-E287 PolarHBondContact O-N 3.23Å; D285-F288 PolarHBondContact O-N 3.07Å; D285-T289 WeakPolarHBondContact O-CB 3.37Å; D285-T289 PolarHBondContact O-N 3.28Å; D285-T289 PolarHBondContact O-OG1 3.34Å; D285-K329 IonicContact OD2-NZ 3.93Å; D285-K329 PolarHBondContact OD2-NZ 2.85Å; D285-K329 VanDerWaalsContact OD2-NZ 3.12Å; D285-Y331 VanDerWaalsContact CA-OH 3.27Å; D285-Y331 WeakPolarHBondContact CA-OH 3.49Å; D285-Y331 WeakPolarHBondContact OD1-CE1 3.25Å; D285-Y331 PolarHBondContact OD1-OH 3.42Å |
| 286 | E | 91.5 | Very high | 94 | Very high | 164 Ų | 164 | 42.5 Ų | 42.5 | 77% | 0.766 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.4 | -43.3 | -176.8 | -61.4 | -171.6 | -178.6 | 0 | 0 | 111 | ||
| 287 | E | 94 | Very high | 93.7 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 29% | 0.29 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -77.3 | -33.2 | -177.4 | -54.9 | 78.7 | -173.7 | 0 | 0 | 112.1 | L228 M236 Y284 D285 P290 | L228-E287 HydrophobicContact CD2-CB 4.33Å; L228-E287 HydrophobicContact CD2-CG 3.98Å; M236-E287 HydrophobicContact CE-CB 3.91Å; M236-E287 VanDerWaalsContact CE-O 3.32Å; M236-E287 WeakPolarHBondContact CE-O 3.33Å; M236-E287 HydrophobicContact SD-CB 3.63Å; Y284-E287 VanDerWaalsContact C-OE2 3.27Å; D285-E287 PolarHBondContact O-N 3.23Å; E287-P290 VanDerWaalsContact O-CD 3.31Å; E287-P290 WeakPolarHBondContact O-CD 3.43Å |
| 288 | F | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.1 | -27.8 | -179.8 | -174.8 | -110.8 | 0 | 0 | 0 | 113.4 | M240 L277 Y280 A281 Y284 D285 P290 Y291 A292 F295 F322 Y331 | M240-F288 HydrophobicContact CE-CD2 4.39Å; M240-F288 HydrophobicContact SD-CD2 4.34Å; M240-F288 HydrophobicContact SD-CE2 4.11Å; L277-F288 HydrophobicContact CD2-CE2 3.71Å; L277-F288 HydrophobicContact CD2-CZ 3.97Å; Y280-F288 HydrophobicContact CD1-CD2 4.41Å; Y280-F288 HydrophobicContact CG-CD2 4.47Å; A281-F288 HydrophobicContact CB-CD1 3.96Å; A281-F288 HydrophobicContact CB-CE1 3.9Å; Y284-F288 WeakPolarHBondContact O-CB 3.36Å; Y284-F288 PolarHBondContact O-N 3.25Å; D285-F288 PolarHBondContact O-N 3.07Å; F288-P290 VanDerWaalsContact C-N 3.34Å; F288-P290 VanDerWaalsContact O-N 3.13Å; F288-Y291 PolarHBondContact O-N 2.94Å; F288-A292 HydrophobicContact CD1-CB 4.27Å; F288-A292 HydrophobicContact CE1-CB 3.98Å; F288-A292 PolarHBondContact O-N 3.37Å; F288-F295 AromaticContact CE2-CD2 3.85Å; F288-F295 HydrophobicContact CE2-CD2 3.85Å; F288-F295 AromaticContact CE2-CE2 3.98Å; F288-F295 HydrophobicContact CE2-CE2 3.98Å; F288-F295 AromaticContact CZ-CD2 3.82Å; F288-F295 HydrophobicContact CZ-CD2 3.82Å; F288-F295 HydrophobicContact CZ-CE2 4.42Å; F288-F322 HydrophobicContact CE1-CE2 4.07Å; F288-F322 HydrophobicContact CE1-CZ 4.47Å; F288-F322 AromaticContact CZ-CE2 3.93Å; F288-F322 HydrophobicContact CZ-CE2 3.93Å; F288-F322 HydrophobicContact CZ-CZ 4.24Å; F288-Y331 AromaticContact CD1-CE1 3.99Å; F288-Y331 HydrophobicContact CD1-CE1 3.99Å; F288-Y331 AromaticContact CD1-CZ 4Å |
| 289 | T | 92.7 | Very high | 93.5 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -44.1 | -45.9 | -177.2 | -72.8 | 0 | 0 | 0 | 0 | 115 | D285 Y291 A292 | D285-T289 WeakPolarHBondContact O-CB 3.37Å; D285-T289 PolarHBondContact O-N 3.28Å; D285-T289 PolarHBondContact O-OG1 3.34Å; T289-Y291 PolarHBondContact O-N 3.34Å; T289-Y291 VanDerWaalsContact O-N 3.15Å; T289-A292 PolarHBondContact O-N 3.16Å |
| 290 | P | 92.7 | Very high | 93.4 | Very high | 101 Ų | 101 | 49.7 Ų | 49.7 | 66% | 0.656 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.3 | -21.8 | -178.9 | -23.3 | 35.2 | 0 | 0 | 0 | 114.9 | E287 F288 | E287-P290 VanDerWaalsContact O-CD 3.31Å; E287-P290 WeakPolarHBondContact O-CD 3.43Å; F288-P290 VanDerWaalsContact C-N 3.34Å; F288-P290 VanDerWaalsContact O-N 3.13Å |
| 291 | Y | 93.1 | Very high | 93.2 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -100.6 | -18.7 | -175.8 | -51.7 | -80.3 | 0 | 0 | 0 | 113.1 | M236 P237 M240 F288 T289 S293 R294 F295 | M236-Y291 HydrophobicContact CB-CE2 4.24Å; M236-Y291 HydrophobicContact CE-CD2 4.21Å; M236-Y291 HydrophobicContact CE-CE2 3.91Å; P237-Y291 WeakPolarHBondContact CD-OH 3.5Å; P237-Y291 WeakPolarHBondContact CG-OH 3.24Å; M240-Y291 HydrophobicContact CB-CD1 3.58Å; M240-Y291 HydrophobicContact CB-CD2 4.49Å; M240-Y291 HydrophobicContact CB-CE1 3.88Å; M240-Y291 HydrophobicContact CB-CG 3.91Å; M240-Y291 HydrophobicContact CG-CD1 3.96Å; M240-Y291 HydrophobicContact CG-CD2 3.95Å; M240-Y291 HydrophobicContact CG-CE1 4.18Å; M240-Y291 HydrophobicContact CG-CE2 4.18Å; M240-Y291 HydrophobicContact CG-CG 3.83Å; F288-Y291 PolarHBondContact O-N 2.94Å; T289-Y291 PolarHBondContact O-N 3.34Å; T289-Y291 VanDerWaalsContact O-N 3.15Å; Y291-S293 PolarHBondContact O-N 2.94Å; Y291-R294 PolarHBondContact O-N 2.99Å; Y291-F295 WeakPolarHBondContact O-CD2 3.34Å; Y291-F295 PolarHBondContact O-N 3.04Å |
| 292 | A | 91.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.4 | -48 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F288 T289 R294 F295 V296 Y331 | F288-A292 HydrophobicContact CD1-CB 4.27Å; F288-A292 HydrophobicContact CE1-CB 3.98Å; F288-A292 PolarHBondContact O-N 3.37Å; T289-A292 PolarHBondContact O-N 3.16Å; A292-R294 VanDerWaalsContact C-N 3.3Å; A292-R294 PolarHBondContact O-N 3.17Å; A292-F295 PolarHBondContact O-N 3.14Å; A292-F295 VanDerWaalsContact O-N 3.1Å; A292-V296 WeakPolarHBondContact O-CG2 3.46Å; A292-V296 PolarHBondContact O-N 3.45Å; A292-Y331 HydrophobicContact CB-CD1 3.47Å; A292-Y331 VanDerWaalsContact CB-CD1 3.47Å; A292-Y331 HydrophobicContact CB-CE1 4.17Å; A292-Y331 HydrophobicContact CB-CG 3.97Å |
| 293 | S | 90.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.2 | -42.3 | -174.3 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | Y291 V296 E297 C332 | Y291-S293 PolarHBondContact O-N 2.94Å; S293-V296 PolarHBondContact O-N 2.83Å; S293-E297 WeakPolarHBondContact O-CG 3.47Å; S293-E297 PolarHBondContact O-N 3.07Å; S293-E297 VanDerWaalsContact O-N 3.15Å; S293-C332 WeakPolarHBondContact CA-SG 3.08Å; S293-C332 PolarHBondContact N-SG 3.28Å; S293-C332 PolarHBondContact OG-SG 2.99Å |
| 294 | R | 91.9 | Very high | 93.3 | Very high | 119 Ų | 119 | 47 Ų | 47 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 179.9 | -174.8 | 174.4 | 178.7 | -164.3 | -2.5 | 111.5 | N241 C244 Y291 A292 I298 | N241-R294 PolarHBondContact OD1-NH1 3.47Å; C244-R294 VanDerWaalsContact SG-CD 3.59Å; Y291-R294 PolarHBondContact O-N 2.99Å; A292-R294 VanDerWaalsContact C-N 3.3Å; A292-R294 PolarHBondContact O-N 3.17Å; R294-I298 HydrophobicContact CG-CD1 3.92Å; R294-I298 VanDerWaalsContact O-CG1 3.27Å; R294-I298 WeakPolarHBondContact O-CG1 3.35Å; R294-I298 PolarHBondContact O-N 3.23Å; R294-I298 VanDerWaalsContact O-N 3.14Å |
| 295 | F | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 177 | -74.1 | -62.9 | 0 | 0 | 0 | 112.3 | M240 F243 C244 L247 L277 F288 Y291 A292 E297 I298 V299 F322 | M240-F295 HydrophobicContact CB-CE2 4.04Å; M240-F295 HydrophobicContact CB-CZ 4.07Å; M240-F295 HydrophobicContact CG-CE2 4.3Å; M240-F295 VanDerWaalsContact O-CZ 3.31Å; M240-F295 WeakPolarHBondContact O-CZ 3.22Å; M240-F295 HydrophobicContact SD-CE2 3.64Å; M240-F295 HydrophobicContact SD-CZ 3.86Å; F243-F295 HydrophobicContact CB-CE1 3.92Å; F243-F295 HydrophobicContact CB-CZ 4.02Å; C244-F295 HydrophobicContact CB-CE1 4.32Å; C244-F295 WeakPolarHBondContact SG-CE1 3.26Å; C244-F295 WeakPolarHBondContact SG-CZ 3.39Å; L247-F295 HydrophobicContact CD1-CD1 3.88Å; L247-F295 HydrophobicContact CD1-CE1 4.06Å; L277-F295 HydrophobicContact CD1-CB 4.25Å; L277-F295 HydrophobicContact CD1-CD1 3.49Å; L277-F295 VanDerWaalsContact CD1-CD1 3.49Å; L277-F295 HydrophobicContact CD1-CE1 3.88Å; L277-F295 HydrophobicContact CD1-CG 3.9Å; L277-F295 HydrophobicContact CD2-CD1 3.88Å; L277-F295 HydrophobicContact CD2-CD2 3.79Å; L277-F295 HydrophobicContact CD2-CE1 3.71Å; L277-F295 HydrophobicContact CD2-CE2 3.61Å; L277-F295 HydrophobicContact CD2-CG 3.91Å; L277-F295 HydrophobicContact CD2-CZ 3.57Å; L277-F295 HydrophobicContact CG-CD1 4.36Å; L277-F295 HydrophobicContact CG-CE1 4.42Å; F288-F295 AromaticContact CE2-CD2 3.85Å; F288-F295 HydrophobicContact CE2-CD2 3.85Å; F288-F295 AromaticContact CE2-CE2 3.98Å; F288-F295 HydrophobicContact CE2-CE2 3.98Å; F288-F295 AromaticContact CZ-CD2 3.82Å; F288-F295 HydrophobicContact CZ-CD2 3.82Å; F288-F295 HydrophobicContact CZ-CE2 4.42Å; Y291-F295 WeakPolarHBondContact O-CD2 3.34Å; Y291-F295 PolarHBondContact O-N 3.04Å; A292-F295 PolarHBondContact O-N 3.14Å; A292-F295 VanDerWaalsContact O-N 3.1Å; F295-E297 VanDerWaalsContact C-N 3.33Å; F295-E297 PolarHBondContact O-N 3.03Å; F295-I298 PolarHBondContact O-N 3.21Å; F295-V299 WeakPolarHBondContact O-CB 3.09Å; F295-V299 WeakPolarHBondContact O-CG2 3.48Å; F295-V299 PolarHBondContact O-N 3.18Å; F295-F322 HydrophobicContact CB-CE1 4.04Å; F295-F322 HydrophobicContact CB-CZ 3.68Å |
| 296 | V | 92.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.7 | -48.5 | 175.3 | 176 | 0 | 0 | 0 | 0 | 110.5 | A292 S293 W300 L323 V326 T335 F336 | A292-V296 WeakPolarHBondContact O-CG2 3.46Å; A292-V296 PolarHBondContact O-N 3.45Å; S293-V296 PolarHBondContact O-N 2.83Å; V296-W300 WeakPolarHBondContact O-CB 3.5Å; V296-W300 PolarHBondContact O-N 2.93Å; V296-L323 HydrophobicContact CG1-CD2 4.25Å; V296-V326 HydrophobicContact CG2-CB 4.28Å; V296-V326 HydrophobicContact CG2-CG2 3.77Å; V296-T335 HydrophobicContact CG1-CG2 4.31Å; V296-F336 HydrophobicContact CG1-CE2 4.28Å; V296-F336 HydrophobicContact CG1-CZ 4.29Å |
| 297 | E | 91.8 | Very high | 93.2 | Very high | 115 Ų | 115 | 44.9 Ų | 44.9 | 54% | 0.537 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 179.1 | -71.2 | 174.9 | -170.3 | 0 | 0 | 112.8 | S293 F295 C301 T335 | S293-E297 WeakPolarHBondContact O-CG 3.47Å; S293-E297 PolarHBondContact O-N 3.07Å; S293-E297 VanDerWaalsContact O-N 3.15Å; F295-E297 VanDerWaalsContact C-N 3.33Å; F295-E297 PolarHBondContact O-N 3.03Å; E297-C301 WeakPolarHBondContact O-CB 3.22Å; E297-C301 PolarHBondContact O-N 3.49Å; E297-T335 HydrophobicContact CG-CG2 4.38Å |
| 298 | I | 94.8 | Very high | 93 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -50.4 | -178.6 | -66.1 | 167.5 | 0 | 0 | 0 | 110.9 | C244 L247 R294 F295 C301 L302 | C244-I298 HydrophobicContact CB-CD1 4.15Å; L247-I298 HydrophobicContact CB-CG2 3.59Å; L247-I298 HydrophobicContact CD1-CG2 4.41Å; R294-I298 HydrophobicContact CG-CD1 3.92Å; R294-I298 VanDerWaalsContact O-CG1 3.27Å; R294-I298 WeakPolarHBondContact O-CG1 3.35Å; R294-I298 PolarHBondContact O-N 3.23Å; R294-I298 VanDerWaalsContact O-N 3.14Å; F295-I298 PolarHBondContact O-N 3.21Å; I298-C301 PolarHBondContact O-N 3.38Å; I298-L302 WeakPolarHBondContact O-CB 3.47Å; I298-L302 PolarHBondContact O-N 3.24Å |
| 299 | V | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.8 | -40 | -178 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | L247 L277 F295 C301 L302 M303 F322 L323 | L247-V299 HydrophobicContact CD1-CG2 4.09Å; L277-V299 HydrophobicContact CD1-CG2 4.46Å; F295-V299 WeakPolarHBondContact O-CB 3.09Å; F295-V299 WeakPolarHBondContact O-CG2 3.48Å; F295-V299 PolarHBondContact O-N 3.18Å; V299-C301 PolarHBondContact O-N 2.94Å; V299-L302 WeakPolarHBondContact O-CB 3.27Å; V299-L302 PolarHBondContact O-N 2.93Å; V299-M303 HydrophobicContact CG1-CE 4.39Å; V299-M303 HydrophobicContact CG1-CG 4.21Å; V299-M303 VanDerWaalsContact O-CG 3.29Å; V299-M303 WeakPolarHBondContact O-CG 3.1Å; V299-M303 PolarHBondContact O-N 3.48Å; V299-F322 HydrophobicContact CB-CD1 3.93Å; V299-F322 HydrophobicContact CB-CE1 4.09Å; V299-F322 HydrophobicContact CG1-CD1 3.9Å; V299-F322 HydrophobicContact CG2-CD1 3.85Å; V299-F322 HydrophobicContact CG2-CE1 3.9Å; V299-L323 HydrophobicContact CB-CD2 4.37Å; V299-L323 HydrophobicContact CG1-CD1 4.35Å; V299-L323 HydrophobicContact CG1-CD2 4.31Å; V299-L323 HydrophobicContact CG1-CG 4.07Å |
| 300 | W | 94.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 12% | 0.117 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.5 | -48.4 | 174.2 | -173.7 | 96.9 | 0 | 0 | 0 | 111.5 | V296 L302 M303 T304 L323 M341 R344 T345 I349 | V296-W300 WeakPolarHBondContact O-CB 3.5Å; V296-W300 PolarHBondContact O-N 2.93Å; W300-L302 VanDerWaalsContact C-N 3.31Å; W300-L302 PolarHBondContact O-N 3.2Å; W300-M303 PolarHBondContact O-N 3.04Å; W300-T304 HydrophobicContact CD2-CG2 4.38Å; W300-T304 HydrophobicContact CE3-CG2 4.08Å; W300-T304 HydrophobicContact CH2-CG2 3.8Å; W300-T304 HydrophobicContact CZ2-CG2 4.15Å; W300-T304 HydrophobicContact CZ3-CG2 3.78Å; W300-T304 PolarHBondContact O-N 3.22Å; W300-L323 HydrophobicContact CB-CD1 4.49Å; W300-L323 HydrophobicContact CB-CD2 4.34Å; W300-M341 HydrophobicContact CB-CE 4.42Å; W300-M341 HydrophobicContact CD2-CE 3.6Å; W300-M341 HydrophobicContact CD2-SD 4.07Å; W300-M341 VanDerWaalsContact CE2-SD 3.56Å; W300-M341 HydrophobicContact CE3-CE 4.18Å; W300-M341 HydrophobicContact CG-CE 3.67Å; W300-M341 HydrophobicContact CH2-SD 4.25Å; W300-M341 HydrophobicContact CZ2-CE 4.35Å; W300-M341 HydrophobicContact CZ2-SD 3.68Å; W300-R344 HydrophobicContact CH2-CB 4.08Å; W300-R344 HydrophobicContact CZ2-CB 3.73Å; W300-T345 PolarHBondContact NE1-OG1 3.3Å; W300-I349 HydrophobicContact CD2-CD1 4.15Å; W300-I349 HydrophobicContact CG-CD1 4.02Å; W300-I349 HydrophobicContact CZ2-CD1 4.39Å |
| 301 | C | 93.4 | Very high | 92.4 | Very high | 54 Ų | 54 | 48 Ų | 48 | 37% | 0.365 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | E297 I298 V299 T304 | E297-C301 WeakPolarHBondContact O-CB 3.22Å; E297-C301 PolarHBondContact O-N 3.49Å; I298-C301 PolarHBondContact O-N 3.38Å; V299-C301 PolarHBondContact O-N 2.94Å; C301-T304 PolarHBondContact O-N 3.11Å; C301-T304 PolarHBondContact O-OG1 3.08Å |
| 302 | L | 94.5 | Very high | 92.4 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 174.8 | -177.5 | 61.9 | 0 | 0 | 0 | 111.4 | L247 R270 I298 V299 W300 T304 K305 V306 L315 | L247-L302 HydrophobicContact CD2-CD2 4.48Å; R270-L302 HydrophobicContact CB-CD2 4.21Å; R270-L302 HydrophobicContact CG-CD2 4.27Å; I298-L302 WeakPolarHBondContact O-CB 3.47Å; I298-L302 PolarHBondContact O-N 3.24Å; V299-L302 WeakPolarHBondContact O-CB 3.27Å; V299-L302 PolarHBondContact O-N 2.93Å; W300-L302 VanDerWaalsContact C-N 3.31Å; W300-L302 PolarHBondContact O-N 3.2Å; L302-T304 PolarHBondContact O-N 2.88Å; L302-K305 WeakPolarHBondContact O-CA 3.35Å; L302-K305 PolarHBondContact O-N 2.81Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 3.5Å; L302-V306 VanDerWaalsContact O-N 3.15Å; L302-L315 HydrophobicContact CD2-CD1 4.16Å |
| 303 | M | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -29.7 | -179.1 | -69.6 | -51.7 | 98.1 | 0 | 0 | 113.3 | V299 W300 K305 V306 L315 F316 V320 L323 I349 | V299-M303 HydrophobicContact CG1-CE 4.39Å; V299-M303 HydrophobicContact CG1-CG 4.21Å; V299-M303 VanDerWaalsContact O-CG 3.29Å; V299-M303 WeakPolarHBondContact O-CG 3.1Å; V299-M303 PolarHBondContact O-N 3.48Å; W300-M303 PolarHBondContact O-N 3.04Å; M303-K305 PolarHBondContact O-N 3.24Å; M303-V306 HydrophobicContact CE-CG2 3.72Å; M303-V306 HydrophobicContact SD-CG2 4.27Å; M303-L315 HydrophobicContact CE-CD1 4.45Å; M303-L315 HydrophobicContact CE-CG 4.36Å; M303-F316 HydrophobicContact SD-CD2 4.1Å; M303-V320 HydrophobicContact CG-CG2 4.19Å; M303-V320 HydrophobicContact SD-CG2 4.02Å; M303-L323 HydrophobicContact CB-CD1 4.4Å; M303-L323 HydrophobicContact CG-CD1 3.8Å; M303-I349 HydrophobicContact CB-CD1 3.95Å; M303-I349 HydrophobicContact CB-CG1 4.33Å; M303-I349 HydrophobicContact CB-CG2 4.23Å |
| 304 | T | 93.5 | Very high | 92.6 | Very high | 40 Ų | 40 | 50 Ų | 50 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.2 | -22.8 | 172.9 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | W300 C301 L302 I349 | W300-T304 HydrophobicContact CD2-CG2 4.38Å; W300-T304 HydrophobicContact CE3-CG2 4.08Å; W300-T304 HydrophobicContact CH2-CG2 3.8Å; W300-T304 HydrophobicContact CZ2-CG2 4.15Å; W300-T304 HydrophobicContact CZ3-CG2 3.78Å; W300-T304 PolarHBondContact O-N 3.22Å; C301-T304 PolarHBondContact O-N 3.11Å; C301-T304 PolarHBondContact O-OG1 3.08Å; L302-T304 PolarHBondContact O-N 2.88Å; T304-I349 HydrophobicContact CG2-CD1 4.06Å; T304-I349 HydrophobicContact CG2-CG1 3.86Å |
| 305 | K | 91.4 | Very high | 92.8 | Very high | 134 Ų | 134 | 44.5 Ų | 44.5 | 58% | 0.583 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -101.1 | -18.1 | -175.2 | -63.2 | 179.8 | -179 | -178.9 | 0 | 114 | D250 L302 M303 N307 | D250-K305 IonicContact OD2-NZ 3.97Å; L302-K305 WeakPolarHBondContact O-CA 3.35Å; L302-K305 PolarHBondContact O-N 2.81Å; M303-K305 PolarHBondContact O-N 3.24Å; K305-N307 PolarHBondContact O-N 3.38Å |
| 306 | V | 92.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | trans | -55.2 | 133.5 | -176.9 | -179 | 0 | 0 | 0 | 0 | 111.1 | L302 M303 W312 L315 F316 R352 | L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 3.5Å; L302-V306 VanDerWaalsContact O-N 3.15Å; M303-V306 HydrophobicContact CE-CG2 3.72Å; M303-V306 HydrophobicContact SD-CG2 4.27Å; V306-W312 HydrophobicContact CG1-CB 4.08Å; V306-W312 HydrophobicContact CG1-CE3 4.12Å; V306-L315 HydrophobicContact CG2-CD2 4.01Å; V306-L315 HydrophobicContact CG2-CG 4.13Å; V306-F316 HydrophobicContact CG1-CB 4.17Å; V306-R352 PolarHBondContact O-NH1 2.94Å; V306-R352 PolarHBondContact O-NH2 3.37Å | ||
| 307 | N | 90.2 | Very high | 93 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | trans | -64 | 146 | 178.8 | -166.3 | -22.2 | 0 | 0 | 0 | 111 | D260 K305 L309 W312 R384 | D260-N307 PolarHBondContact O-ND2 3.04Å; K305-N307 PolarHBondContact O-N 3.38Å; N307-L309 VanDerWaalsContact C-N 3.32Å; N307-L309 WeakPolarHBondContact OD1-CG 3.26Å; N307-L309 PolarHBondContact OD1-N 2.83Å; N307-W312 HydrophobicContact CB-CB 4.35Å; N307-W312 HydrophobicContact CB-CD2 3.79Å; N307-W312 HydrophobicContact CB-CE3 4.42Å; N307-W312 HydrophobicContact CB-CG 3.74Å; N307-R384 VanDerWaalsContact O-CZ 3.32Å; N307-R384 PolarHBondContact O-NH1 2.94Å; N307-R384 PolarHBondContact O-NH2 2.81Å | ||
| 308 | L | 90.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 40.3 Ų | 40.3 | 31% | 0.314 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -81.5 | -9 | -179.1 | -65.6 | 175.8 | 0 | 0 | 0 | 113.9 | R352 N353 R357 R384 | L308-R352 HydrophobicContact CD1-CG 4.48Å; L308-R352 HydrophobicContact CD2-CG 4.18Å; L308-N353 WeakPolarHBondContact CD2-OD1 3.49Å; L308-R357 VanDerWaalsContact O-CD 3.3Å; L308-R357 WeakPolarHBondContact O-CD 3.33Å; L308-R384 PolarHBondContact O-NH1 3.32Å |
| 309 | L | 89.6 | Confident | 93.4 | Very high | 80 Ų | 80 | 38.8 Ų | 38.8 | 42% | 0.419 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -64.2 | 146.5 | 175 | -62 | 176.3 | 0 | 0 | 0 | 111.4 | D261 N307 P311 W312 R384 | D261-L309 HydrophobicContact CB-CD1 4.1Å; N307-L309 VanDerWaalsContact C-N 3.32Å; N307-L309 WeakPolarHBondContact OD1-CG 3.26Å; N307-L309 PolarHBondContact OD1-N 2.83Å; L309-P311 VanDerWaalsContact C-CD 3.47Å; L309-W312 WeakPolarHBondContact O-CB 3.25Å; L309-W312 PolarHBondContact O-N 2.98Å; L309-W312 VanDerWaalsContact O-N 3.13Å; L309-R384 PolarHBondContact O-NH1 3.45Å |
| 310 | E | 88.3 | Confident | 93.5 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -56.6 | -39.8 | -176.5 | -65.9 | 172.6 | -175 | 0 | 0 | 114.8 | W312 D313 G359 | E310-W312 PolarHBondContact O-N 3.22Å; E310-D313 VanDerWaalsContact O-CB 3.3Å; E310-D313 WeakPolarHBondContact O-CB 3.37Å; E310-D313 VanDerWaalsContact O-CG 3.24Å; E310-D313 PolarHBondContact O-N 3.17Å; E310-G359 WeakPolarHBondContact OE1-CA 3.43Å |
| 311 | P | 90.3 | Very high | 93.5 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -59.2 | -16.1 | 178.3 | -28.3 | 39 | 0 | 0 | 0 | 114.6 | P263 L309 | P263-P311 VanDerWaalsContact CD-CB 3.44Å; P263-P311 HydrophobicContact CG-CB 4.29Å; P263-P311 WeakPolarHBondContact CG-O 3.23Å; L309-P311 VanDerWaalsContact C-CD 3.47Å |
| 312 | W | 91.3 | Very high | 93.7 | Very high | 30 Ų | 30 | 37 Ų | 37 | 11% | 0.114 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -93.2 | -1.2 | 178.6 | -70.5 | 76.7 | 0 | 0 | 0 | 114 | D267 V306 N307 L309 E310 N314 L315 F316 | D267-W312 HydrophobicContact CB-CE3 4.5Å; D267-W312 HydrophobicContact CB-CH2 4.39Å; D267-W312 HydrophobicContact CB-CZ3 4.01Å; D267-W312 WeakPolarHBondContact OD1-CH2 3.33Å; D267-W312 VanDerWaalsContact OD1-CZ3 3.25Å; D267-W312 WeakPolarHBondContact OD1-CZ3 3.48Å; D267-W312 VanDerWaalsContact OD2-CH2 3.27Å; D267-W312 WeakPolarHBondContact OD2-CH2 3.5Å; V306-W312 HydrophobicContact CG1-CB 4.08Å; V306-W312 HydrophobicContact CG1-CE3 4.12Å; N307-W312 HydrophobicContact CB-CB 4.35Å; N307-W312 HydrophobicContact CB-CD2 3.79Å; N307-W312 HydrophobicContact CB-CE3 4.42Å; N307-W312 HydrophobicContact CB-CG 3.74Å; L309-W312 WeakPolarHBondContact O-CB 3.25Å; L309-W312 PolarHBondContact O-N 2.98Å; L309-W312 VanDerWaalsContact O-N 3.13Å; E310-W312 PolarHBondContact O-N 3.22Å; W312-N314 VanDerWaalsContact C-N 3.3Å; W312-N314 PolarHBondContact O-N 3.27Å; W312-L315 HydrophobicContact CE3-CD2 4.1Å; W312-L315 HydrophobicContact CZ3-CD2 4.1Å; W312-L315 PolarHBondContact O-N 3.13Å; W312-F316 PolarHBondContact O-N 2.81Å |
| 313 | D | 93.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -38.3 | -174.9 | -74.6 | -1.9 | 0 | 0 | 0 | 112 | E310 L315 F316 I317 R357 R384 | E310-D313 VanDerWaalsContact O-CB 3.3Å; E310-D313 WeakPolarHBondContact O-CB 3.37Å; E310-D313 VanDerWaalsContact O-CG 3.24Å; E310-D313 PolarHBondContact O-N 3.17Å; D313-L315 VanDerWaalsContact C-N 3.35Å; D313-L315 PolarHBondContact O-N 3.37Å; D313-F316 PolarHBondContact O-N 3.42Å; D313-F316 VanDerWaalsContact O-N 3.14Å; D313-I317 HydrophobicContact CB-CD1 4.27Å; D313-I317 WeakPolarHBondContact O-CB 3.33Å; D313-I317 VanDerWaalsContact O-CG1 3.26Å; D313-I317 WeakPolarHBondContact O-CG1 3.15Å; D313-I317 PolarHBondContact O-N 3.02Å; D313-R357 IonicContact OD1-CZ 3.03Å; D313-R357 IonicContact OD1-NH1 3.67Å; D313-R357 PolarHBondContact OD1-NH1 3.45Å; D313-R357 IonicContact OD2-CZ 3.6Å; D313-R357 IonicContact OD2-NH1 3.8Å; D313-R357 PolarHBondContact OD2-NH1 3.38Å; D313-R357 IonicContact OD2-NH2 2.6Å; D313-R357 PolarHBondContact OD2-NH2 3.44Å; D313-R357 VanDerWaalsContact OD2-NH2 3.09Å; D313-R384 WeakPolarHBondContact OD1-CD 3.31Å; D313-R384 IonicContact OD1-CZ 3.24Å; D313-R384 IonicContact OD1-NE 3.12Å; D313-R384 IonicContact OD1-NH1 3.37Å; D313-R384 PolarHBondContact OD1-NH1 2.82Å |
| 314 | N | 94.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 36.8 Ų | 36.8 | 51% | 0.508 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.4 | -44.8 | 178.3 | -166.8 | 63.8 | 0 | 0 | 0 | 112.5 | A271 W312 F316 I317 N318 | A271-N314 WeakPolarHBondContact CB-ND2 3.25Å; W312-N314 VanDerWaalsContact C-N 3.3Å; W312-N314 PolarHBondContact O-N 3.27Å; N314-F316 VanDerWaalsContact C-N 3.35Å; N314-F316 PolarHBondContact O-N 2.86Å; N314-I317 PolarHBondContact O-N 3.08Å; N314-N318 VanDerWaalsContact O-CG 3.23Å; N314-N318 PolarHBondContact O-N 3.15Å; N314-N318 VanDerWaalsContact O-N 3.09Å; N314-N318 PolarHBondContact O-OD1 3.47Å |
| 315 | L | 96.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 178.2 | 176 | 58.6 | 0 | 0 | 0 | 111.7 | D267 R270 A271 L302 M303 V306 W312 D313 G319 | D267-L315 HydrophobicContact CB-CD2 4.14Å; R270-L315 HydrophobicContact CB-CD1 3.55Å; A271-L315 HydrophobicContact CB-CB 4.4Å; A271-L315 HydrophobicContact CB-CD1 4.16Å; L302-L315 HydrophobicContact CD2-CD1 4.16Å; M303-L315 HydrophobicContact CE-CD1 4.45Å; M303-L315 HydrophobicContact CE-CG 4.36Å; V306-L315 HydrophobicContact CG2-CD2 4.01Å; V306-L315 HydrophobicContact CG2-CG 4.13Å; W312-L315 HydrophobicContact CE3-CD2 4.1Å; W312-L315 HydrophobicContact CZ3-CD2 4.1Å; W312-L315 PolarHBondContact O-N 3.13Å; D313-L315 VanDerWaalsContact C-N 3.35Å; D313-L315 PolarHBondContact O-N 3.37Å; L315-G319 PolarHBondContact O-N 3.17Å; L315-G319 VanDerWaalsContact O-N 3.09Å |
| 316 | F | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -47.1 | 177.7 | 178.3 | -93.6 | 0 | 0 | 0 | 111.8 | M303 V306 W312 D313 N314 G319 V320 I349 N353 R384 A388 | M303-F316 HydrophobicContact SD-CD2 4.1Å; V306-F316 HydrophobicContact CG1-CB 4.17Å; W312-F316 PolarHBondContact O-N 2.81Å; D313-F316 PolarHBondContact O-N 3.42Å; D313-F316 VanDerWaalsContact O-N 3.14Å; N314-F316 VanDerWaalsContact C-N 3.35Å; N314-F316 PolarHBondContact O-N 2.86Å; F316-G319 PolarHBondContact O-N 3.4Å; F316-V320 HydrophobicContact CD1-CG2 4.29Å; F316-V320 HydrophobicContact CD2-CG2 4Å; F316-V320 HydrophobicContact CE1-CB 4.49Å; F316-V320 HydrophobicContact CE1-CG2 3.92Å; F316-V320 HydrophobicContact CE2-CG2 3.57Å; F316-V320 HydrophobicContact CG-CG2 4.36Å; F316-V320 HydrophobicContact CZ-CG2 3.55Å; F316-V320 WeakPolarHBondContact O-CB 3.38Å; F316-V320 WeakPolarHBondContact O-CG2 3.49Å; F316-V320 PolarHBondContact O-N 3.42Å; F316-I349 HydrophobicContact CE2-CG2 4.03Å; F316-I349 HydrophobicContact CZ-CG2 4.48Å; F316-N353 HydrophobicContact CE1-CB 4Å; F316-N353 HydrophobicContact CE2-CB 3.72Å; F316-N353 WeakPolarHBondContact CE2-ND2 3.49Å; F316-N353 WeakPolarHBondContact CE2-OD1 3.4Å; F316-N353 HydrophobicContact CZ-CB 3.36Å; F316-N353 VanDerWaalsContact CZ-CG 3.45Å; F316-R384 HydrophobicContact CD1-CB 4.4Å; F316-R384 HydrophobicContact CD1-CG 3.53Å; F316-R384 HydrophobicContact CE1-CG 3.65Å; F316-R384 WeakPolarHBondContact CE1-O 3.38Å; F316-R384 HydrophobicContact CG-CG 4.26Å; F316-R384 HydrophobicContact CZ-CG 4.49Å; F316-A388 HydrophobicContact CE1-CB 4.41Å; F316-A388 HydrophobicContact CZ-CB 4.35Å |
| 317 | I | 96 | Very high | 93.6 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 9% | 0.087 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.3 | -56.2 | -180 | -75.2 | 164.9 | 0 | 0 | 0 | 109.8 | D313 N314 G319 V320 H321 D382 V387 | D313-I317 HydrophobicContact CB-CD1 4.27Å; D313-I317 WeakPolarHBondContact O-CB 3.33Å; D313-I317 VanDerWaalsContact O-CG1 3.26Å; D313-I317 WeakPolarHBondContact O-CG1 3.15Å; D313-I317 PolarHBondContact O-N 3.02Å; N314-I317 PolarHBondContact O-N 3.08Å; I317-G319 VanDerWaalsContact C-N 3.35Å; I317-G319 PolarHBondContact O-N 3.49Å; I317-V320 PolarHBondContact O-N 2.99Å; I317-H321 WeakPolarHBondContact O-CB 3.49Å; I317-H321 PolarHBondContact O-CD2 3.19Å; I317-H321 PolarHBondContact O-N 2.7Å; I317-D382 HydrophobicContact CD1-CB 4.28Å; I317-D382 WeakPolarHBondContact CD1-O 3.38Å; I317-D382 HydrophobicContact CG2-CB 3.98Å; I317-V387 HydrophobicContact CB-CG2 4.41Å; I317-V387 HydrophobicContact CG1-CG2 4.02Å; I317-V387 HydrophobicContact CG2-CG2 4.08Å |
| 318 | N | 97.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 5% | 0.053 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | -177.4 | -62.3 | 28.9 | 0 | 0 | 0 | 111.5 | A271 C274 D275 N314 H321 F322 | A271-N318 HydrophobicContact CB-CB 4.42Å; A271-N318 WeakPolarHBondContact O-CB 3.43Å; A271-N318 PolarHBondContact O-ND2 3.22Å; C274-N318 HydrophobicContact CB-CB 3.78Å; D275-N318 WeakPolarHBondContact OD1-CB 3.35Å; D275-N318 PolarHBondContact OD1-ND2 2.99Å; D275-N318 PolarHBondContact OD2-ND2 3.5Å; N314-N318 VanDerWaalsContact O-CG 3.23Å; N314-N318 PolarHBondContact O-N 3.15Å; N314-N318 VanDerWaalsContact O-N 3.09Å; N314-N318 PolarHBondContact O-OD1 3.47Å; N318-H321 PolarHBondContact O-N 3.16Å; N318-F322 PolarHBondContact O-N 3.46Å; N318-F322 VanDerWaalsContact O-N 3.07Å |
| 319 | G | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L315 F316 I317 L323 | L315-G319 PolarHBondContact O-N 3.17Å; L315-G319 VanDerWaalsContact O-N 3.09Å; F316-G319 PolarHBondContact O-N 3.4Å; I317-G319 VanDerWaalsContact C-N 3.35Å; I317-G319 PolarHBondContact O-N 3.49Å; G319-L323 WeakPolarHBondContact O-CG 3.5Å; G319-L323 PolarHBondContact O-N 3.34Å; G319-L323 VanDerWaalsContact O-N 3.08Å |
| 320 | V | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.6 | -31.7 | 177.8 | 176 | 0 | 0 | 0 | 0 | 112.1 | M303 F316 I317 F322 L323 S324 I349 V387 F391 | M303-V320 HydrophobicContact CG-CG2 4.19Å; M303-V320 HydrophobicContact SD-CG2 4.02Å; F316-V320 HydrophobicContact CD1-CG2 4.29Å; F316-V320 HydrophobicContact CD2-CG2 4Å; F316-V320 HydrophobicContact CE1-CB 4.49Å; F316-V320 HydrophobicContact CE1-CG2 3.92Å; F316-V320 HydrophobicContact CE2-CG2 3.57Å; F316-V320 HydrophobicContact CG-CG2 4.36Å; F316-V320 HydrophobicContact CZ-CG2 3.55Å; F316-V320 WeakPolarHBondContact O-CB 3.38Å; F316-V320 WeakPolarHBondContact O-CG2 3.49Å; F316-V320 PolarHBondContact O-N 3.42Å; I317-V320 PolarHBondContact O-N 2.99Å; V320-F322 VanDerWaalsContact C-N 3.33Å; V320-L323 PolarHBondContact O-N 3.04Å; V320-S324 VanDerWaalsContact O-CB 3.29Å; V320-S324 WeakPolarHBondContact O-CB 3.23Å; V320-S324 PolarHBondContact O-N 3.18Å; V320-S324 PolarHBondContact O-OG 3.46Å; V320-I349 HydrophobicContact CG2-CG2 4.31Å; V320-V387 HydrophobicContact CB-CG1 3.68Å; V320-V387 HydrophobicContact CG1-CG1 3.59Å; V320-F391 HydrophobicContact CG1-CB 3.6Å; V320-F391 HydrophobicContact CG1-CD1 3.69Å; V320-F391 HydrophobicContact CG1-CG 3.78Å |
| 321 | H | 95.7 | Very high | 92.4 | Very high | 48 Ų | 48 | 25.3 Ų | 25.3 | 22% | 0.222 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 169.8 | -83.2 | -40.4 | 0 | 0 | 0 | 111.8 | I317 N318 S324 T325 D382 | I317-H321 WeakPolarHBondContact O-CB 3.49Å; I317-H321 PolarHBondContact O-CD2 3.19Å; I317-H321 PolarHBondContact O-N 2.7Å; N318-H321 PolarHBondContact O-N 3.16Å; H321-S324 PolarHBondContact O-N 3.09Å; H321-T325 VanDerWaalsContact O-CB 3.3Å; H321-T325 WeakPolarHBondContact O-CB 3.25Å; H321-T325 PolarHBondContact O-N 3.47Å; H321-T325 PolarHBondContact O-OG1 2.91Å; H321-D382 IonicContact CD2-OD2 2.73Å; H321-D382 IonicContact CE1-OD1 3.88Å; H321-D382 PolarHBondContact CE1-OD1 3.29Å; H321-D382 IonicContact CE1-OD2 3.52Å; H321-D382 IonicContact NE2-OD1 2.72Å; H321-D382 PolarHBondContact NE2-OD1 3.38Å; H321-D382 IonicContact NE2-OD2 3.09Å; H321-D382 PolarHBondContact NE2-OD2 3.39Å |
| 322 | F | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.9 | -53.3 | 171.5 | 171.3 | -108.6 | 0 | 0 | 0 | 111.4 | L277 T278 A281 F288 F295 V299 N318 V320 S324 T325 V326 | L277-F322 HydrophobicContact CB-CD2 3.56Å; L277-F322 HydrophobicContact CB-CE2 3.58Å; L277-F322 HydrophobicContact CB-CG 4.31Å; L277-F322 HydrophobicContact CB-CZ 4.34Å; L277-F322 HydrophobicContact CD1-CE2 4.46Å; L277-F322 HydrophobicContact CD1-CZ 4.43Å; T278-F322 VanDerWaalsContact OG1-CA 3.23Å; T278-F322 WeakPolarHBondContact OG1-CA 3.34Å; T278-F322 WeakPolarHBondContact OG1-CB 3.43Å; T278-F322 PolarHBondContact OG1-N 3.31Å; A281-F322 HydrophobicContact CB-CE2 4.48Å; F288-F322 HydrophobicContact CE1-CE2 4.07Å; F288-F322 HydrophobicContact CE1-CZ 4.47Å; F288-F322 AromaticContact CZ-CE2 3.93Å; F288-F322 HydrophobicContact CZ-CE2 3.93Å; F288-F322 HydrophobicContact CZ-CZ 4.24Å; F295-F322 HydrophobicContact CB-CE1 4.04Å; F295-F322 HydrophobicContact CB-CZ 3.68Å; V299-F322 HydrophobicContact CB-CD1 3.93Å; V299-F322 HydrophobicContact CB-CE1 4.09Å; V299-F322 HydrophobicContact CG1-CD1 3.9Å; V299-F322 HydrophobicContact CG2-CD1 3.85Å; V299-F322 HydrophobicContact CG2-CE1 3.9Å; N318-F322 PolarHBondContact O-N 3.46Å; N318-F322 VanDerWaalsContact O-N 3.07Å; V320-F322 VanDerWaalsContact C-N 3.33Å; F322-S324 VanDerWaalsContact C-N 3.28Å; F322-S324 PolarHBondContact O-N 3.41Å; F322-T325 WeakPolarHBondContact O-CB 3.49Å; F322-T325 PolarHBondContact O-N 3.08Å; F322-V326 HydrophobicContact CD2-CG1 3.91Å; F322-V326 HydrophobicContact CE1-CG1 4.31Å; F322-V326 HydrophobicContact CE2-CG1 3.36Å; F322-V326 HydrophobicContact CZ-CG1 3.61Å; F322-V326 WeakPolarHBondContact O-CG2 3.46Å; F322-V326 PolarHBondContact O-N 2.67Å |
| 323 | L | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | -179.4 | -69.1 | 176.4 | 0 | 0 | 0 | 113.1 | V296 V299 W300 M303 G319 V320 V326 C327 F391 | V296-L323 HydrophobicContact CG1-CD2 4.25Å; V299-L323 HydrophobicContact CB-CD2 4.37Å; V299-L323 HydrophobicContact CG1-CD1 4.35Å; V299-L323 HydrophobicContact CG1-CD2 4.31Å; V299-L323 HydrophobicContact CG1-CG 4.07Å; W300-L323 HydrophobicContact CB-CD1 4.49Å; W300-L323 HydrophobicContact CB-CD2 4.34Å; M303-L323 HydrophobicContact CB-CD1 4.4Å; M303-L323 HydrophobicContact CG-CD1 3.8Å; G319-L323 WeakPolarHBondContact O-CG 3.5Å; G319-L323 PolarHBondContact O-N 3.34Å; G319-L323 VanDerWaalsContact O-N 3.08Å; V320-L323 PolarHBondContact O-N 3.04Å; L323-V326 VanDerWaalsContact O-CG2 3.25Å; L323-V326 WeakPolarHBondContact O-CG2 3.45Å; L323-C327 VanDerWaalsContact O-CB 3.25Å; L323-C327 WeakPolarHBondContact O-CB 3.49Å; L323-C327 PolarHBondContact O-N 3.22Å; L323-C327 VanDerWaalsContact O-N 3.11Å; L323-F391 HydrophobicContact CB-CE1 4.29Å; L323-F391 HydrophobicContact CB-CE2 4.01Å; L323-F391 HydrophobicContact CB-CZ 3.75Å; L323-F391 HydrophobicContact CD1-CE1 4.37Å; L323-F391 HydrophobicContact CD1-CZ 4.37Å |
| 324 | S | 93.8 | Very high | 89.6 | Confident | 13 Ų | 13 | 28 Ų | 28 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.8 | -45.5 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 111 | V320 H321 F322 C327 V328 F391 | V320-S324 VanDerWaalsContact O-CB 3.29Å; V320-S324 WeakPolarHBondContact O-CB 3.23Å; V320-S324 PolarHBondContact O-N 3.18Å; V320-S324 PolarHBondContact O-OG 3.46Å; H321-S324 PolarHBondContact O-N 3.09Å; F322-S324 VanDerWaalsContact C-N 3.28Å; F322-S324 PolarHBondContact O-N 3.41Å; S324-C327 WeakPolarHBondContact O-CB 3.37Å; S324-C327 PolarHBondContact O-N 3.12Å; S324-V328 WeakPolarHBondContact O-CG2 3.46Å; S324-V328 PolarHBondContact O-N 3.45Å; S324-F391 WeakPolarHBondContact OG-CA 3.46Å; S324-F391 WeakPolarHBondContact OG-CB 3.28Å; S324-F391 VanDerWaalsContact OG-CD2 3.22Å; S324-F391 WeakPolarHBondContact OG-CD2 3.24Å; S324-F391 WeakPolarHBondContact OG-CG 3.45Å |
| 325 | T | 93.7 | Very high | 88.6 | Confident | 18 Ų | 18 | 24.5 Ų | 24.5 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.3 | -51.4 | 177 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | T278 A281 Q282 H321 F322 C327 V328 K329 | T278-T325 HydrophobicContact CG2-CG2 4.48Å; A281-T325 HydrophobicContact CB-CG2 3.78Å; Q282-T325 HydrophobicContact CG-CG2 3.43Å; Q282-T325 VanDerWaalsContact CG-CG2 3.43Å; Q282-T325 PolarHBondContact NE2-OG1 3.4Å; H321-T325 VanDerWaalsContact O-CB 3.3Å; H321-T325 WeakPolarHBondContact O-CB 3.25Å; H321-T325 PolarHBondContact O-N 3.47Å; H321-T325 PolarHBondContact O-OG1 2.91Å; F322-T325 WeakPolarHBondContact O-CB 3.49Å; F322-T325 PolarHBondContact O-N 3.08Å; T325-C327 VanDerWaalsContact C-N 3.3Å; T325-C327 PolarHBondContact O-N 3.15Å; T325-V328 PolarHBondContact O-N 3.5Å; T325-K329 WeakPolarHBondContact O-CB 3.41Å; T325-K329 WeakPolarHBondContact O-CG 3.32Å; T325-K329 PolarHBondContact O-N 3.36Å |
| 326 | V | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -34.2 | -177.9 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | A281 V296 F322 L323 S330 Y331 | A281-V326 HydrophobicContact CB-CG1 3.97Å; V296-V326 HydrophobicContact CG2-CB 4.28Å; V296-V326 HydrophobicContact CG2-CG2 3.77Å; F322-V326 HydrophobicContact CD2-CG1 3.91Å; F322-V326 HydrophobicContact CE1-CG1 4.31Å; F322-V326 HydrophobicContact CE2-CG1 3.36Å; F322-V326 HydrophobicContact CZ-CG1 3.61Å; F322-V326 WeakPolarHBondContact O-CG2 3.46Å; F322-V326 PolarHBondContact O-N 2.67Å; L323-V326 VanDerWaalsContact O-CG2 3.25Å; L323-V326 WeakPolarHBondContact O-CG2 3.45Å; V326-S330 PolarHBondContact O-N 2.74Å; V326-Y331 HydrophobicContact CB-CD2 3.89Å; V326-Y331 HydrophobicContact CB-CG 4.35Å; V326-Y331 HydrophobicContact CG1-CD2 4.06Å; V326-Y331 HydrophobicContact CG1-CE2 4.5Å; V326-Y331 PolarHBondContact O-N 3.21Å |
| 327 | C | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 111 | L323 S324 T325 K329 S330 F336 A394 F398 | L323-C327 VanDerWaalsContact O-CB 3.25Å; L323-C327 WeakPolarHBondContact O-CB 3.49Å; L323-C327 PolarHBondContact O-N 3.22Å; L323-C327 VanDerWaalsContact O-N 3.11Å; S324-C327 WeakPolarHBondContact O-CB 3.37Å; S324-C327 PolarHBondContact O-N 3.12Å; T325-C327 VanDerWaalsContact C-N 3.3Å; T325-C327 PolarHBondContact O-N 3.15Å; C327-K329 VanDerWaalsContact C-N 3.32Å; C327-K329 PolarHBondContact O-N 2.9Å; C327-S330 PolarHBondContact O-N 3.38Å; C327-F336 HydrophobicContact CB-CE2 4.26Å; C327-F336 HydrophobicContact CB-CZ 4.34Å; C327-A394 HydrophobicContact CB-CB 4.43Å; C327-F398 WeakPolarHBondContact O-CE2 3.41Å |
| 328 | V | 89.7 | Confident | 85.4 | Confident | 58 Ų | 58 | 34.5 Ų | 34.5 | 35% | 0.352 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.6 | -37.9 | -178.2 | 171 | 0 | 0 | 0 | 0 | 112.5 | S324 T325 S330 A394 K397 | S324-V328 WeakPolarHBondContact O-CG2 3.46Å; S324-V328 PolarHBondContact O-N 3.45Å; T325-V328 PolarHBondContact O-N 3.5Å; V328-S330 PolarHBondContact O-N 2.81Å; V328-A394 HydrophobicContact CG2-CB 3.7Å; V328-K397 HydrophobicContact CG1-CD 4.28Å; V328-K397 PolarHBondContact O-NZ 3.21Å |
| 329 | K | 87.5 | Confident | 84.1 | Confident | 81 Ų | 81 | 39.2 Ų | 39.2 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 0.7 | 177 | -73.1 | -75.8 | -157.1 | 147.2 | 0 | 113.9 | Q282 D285 T325 C327 Y331 | Q282-K329 PolarHBondContact O-NZ 3.49Å; Q282-K329 VanDerWaalsContact O-NZ 3.1Å; D285-K329 IonicContact OD2-NZ 3.93Å; D285-K329 PolarHBondContact OD2-NZ 2.85Å; D285-K329 VanDerWaalsContact OD2-NZ 3.12Å; T325-K329 WeakPolarHBondContact O-CB 3.41Å; T325-K329 WeakPolarHBondContact O-CG 3.32Å; T325-K329 PolarHBondContact O-N 3.36Å; C327-K329 VanDerWaalsContact C-N 3.32Å; C327-K329 PolarHBondContact O-N 2.9Å; K329-Y331 HydrophobicContact CB-CD2 3.43Å; K329-Y331 VanDerWaalsContact CB-CD2 3.43Å; K329-Y331 HydrophobicContact CB-CE2 3.28Å; K329-Y331 HydrophobicContact CG-CD2 4.48Å; K329-Y331 HydrophobicContact CG-CE2 3.93Å; K329-Y331 PolarHBondContact O-N 3.18Å |
| 330 | S | 82.4 | Confident | 83.4 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 21.3 | 179.3 | -55.8 | 0 | 0 | 0 | 0 | 114.9 | V326 C327 V328 C332 F398 | V326-S330 PolarHBondContact O-N 2.74Å; C327-S330 PolarHBondContact O-N 3.38Å; V328-S330 PolarHBondContact O-N 2.81Å; S330-C332 PolarHBondContact O-N 3.44Å; S330-F398 WeakPolarHBondContact OG-CE1 3.48Å; S330-F398 WeakPolarHBondContact OG-CZ 3.39Å |
| 331 | Y | 74.3 | Confident | 83 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 134.1 | 167.7 | -63.7 | -86.7 | 0 | 0 | 0 | 108.5 | A281 D285 F288 A292 V326 K329 L333 | A281-Y331 WeakPolarHBondContact CA-OH 3.48Å; A281-Y331 HydrophobicContact CB-CE2 4.02Å; A281-Y331 PolarHBondContact O-OH 3.25Å; D285-Y331 VanDerWaalsContact CA-OH 3.27Å; D285-Y331 WeakPolarHBondContact CA-OH 3.49Å; D285-Y331 WeakPolarHBondContact OD1-CE1 3.25Å; D285-Y331 PolarHBondContact OD1-OH 3.42Å; F288-Y331 AromaticContact CD1-CE1 3.99Å; F288-Y331 HydrophobicContact CD1-CE1 3.99Å; F288-Y331 AromaticContact CD1-CZ 4Å; A292-Y331 HydrophobicContact CB-CD1 3.47Å; A292-Y331 VanDerWaalsContact CB-CD1 3.47Å; A292-Y331 HydrophobicContact CB-CE1 4.17Å; A292-Y331 HydrophobicContact CB-CG 3.97Å; V326-Y331 HydrophobicContact CB-CD2 3.89Å; V326-Y331 HydrophobicContact CB-CG 4.35Å; V326-Y331 HydrophobicContact CG1-CD2 4.06Å; V326-Y331 HydrophobicContact CG1-CE2 4.5Å; V326-Y331 PolarHBondContact O-N 3.21Å; K329-Y331 HydrophobicContact CB-CD2 3.43Å; K329-Y331 VanDerWaalsContact CB-CD2 3.43Å; K329-Y331 HydrophobicContact CB-CE2 3.28Å; K329-Y331 HydrophobicContact CG-CD2 4.48Å; K329-Y331 HydrophobicContact CG-CE2 3.93Å; K329-Y331 PolarHBondContact O-N 3.18Å; Y331-L333 PolarHBondContact O-N 3.43Å; Y331-L333 VanDerWaalsContact O-N 3.11Å |
| 332 | C | 68.2 | Low | 82.7 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.1 | 166.5 | -45.5 | 0 | 0 | 0 | 0 | 113.3 | S293 S330 E334 T335 F336 | S293-C332 WeakPolarHBondContact CA-SG 3.08Å; S293-C332 PolarHBondContact N-SG 3.28Å; S293-C332 PolarHBondContact OG-SG 2.99Å; S330-C332 PolarHBondContact O-N 3.44Å; C332-E334 PolarHBondContact O-N 3.31Å; C332-E334 VanDerWaalsContact O-N 3.08Å; C332-T335 WeakPolarHBondContact CB-OG1 3.5Å; C332-T335 WeakPolarHBondContact O-CA 3.34Å; C332-T335 VanDerWaalsContact O-CB 3.3Å; C332-T335 WeakPolarHBondContact O-CB 3.28Å; C332-T335 PolarHBondContact O-N 2.89Å; C332-F336 PolarHBondContact O-N 3.26Å |
| 333 | L | 73.3 | Confident | 82.5 | Confident | 43 Ų | 43 | 47.7 Ų | 47.7 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51 | -33.8 | 172 | -75.6 | 174.5 | 0 | 0 | 0 | 111.1 | Y331 T335 F336 K337 F398 F399 | Y331-L333 PolarHBondContact O-N 3.43Å; Y331-L333 VanDerWaalsContact O-N 3.11Å; L333-T335 VanDerWaalsContact C-N 3.32Å; L333-T335 PolarHBondContact O-N 3.38Å; L333-F336 PolarHBondContact O-N 2.95Å; L333-K337 WeakPolarHBondContact O-CB 3.33Å; L333-K337 WeakPolarHBondContact O-CG 3.32Å; L333-K337 PolarHBondContact O-N 3.48Å; L333-F398 HydrophobicContact CD2-CB 4.18Å; L333-F398 HydrophobicContact CD2-CD1 4.17Å; L333-F398 HydrophobicContact CD2-CD2 3.99Å; L333-F398 HydrophobicContact CD2-CE2 4.46Å; L333-F398 HydrophobicContact CD2-CG 3.84Å; L333-F399 HydrophobicContact CD2-CE2 4.4Å; L333-F399 HydrophobicContact CD2-CZ 4.24Å |
| 334 | E | 73.4 | Confident | 82.3 | Confident | 117 Ų | 117 | 54.1 Ų | 54.1 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -31.3 | 174.3 | -59.6 | -51.1 | 131.4 | 0 | 0 | 114 | C332 K337 Q338 | C332-E334 PolarHBondContact O-N 3.31Å; C332-E334 VanDerWaalsContact O-N 3.08Å; E334-K337 PolarHBondContact O-N 2.9Å; E334-K337 IonicContact OE1-NZ 2.72Å; E334-K337 PolarHBondContact OE1-NZ 3Å; E334-Q338 PolarHBondContact O-N 2.98Å; E334-Q338 PolarHBondContact O-NE2 3.16Å |
| 335 | T | 72.7 | Confident | 82.3 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 13% | 0.129 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 173.7 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | V296 E297 C332 L333 K337 Q338 M341 | V296-T335 HydrophobicContact CG1-CG2 4.31Å; E297-T335 HydrophobicContact CG-CG2 4.38Å; C332-T335 WeakPolarHBondContact CB-OG1 3.5Å; C332-T335 WeakPolarHBondContact O-CA 3.34Å; C332-T335 VanDerWaalsContact O-CB 3.3Å; C332-T335 WeakPolarHBondContact O-CB 3.28Å; C332-T335 PolarHBondContact O-N 2.89Å; L333-T335 VanDerWaalsContact C-N 3.32Å; L333-T335 PolarHBondContact O-N 3.38Å; T335-K337 VanDerWaalsContact C-N 3.33Å; T335-Q338 WeakPolarHBondContact O-CB 3.38Å; T335-Q338 VanDerWaalsContact O-CG 3.31Å; T335-Q338 WeakPolarHBondContact O-CG 3.32Å; T335-Q338 PolarHBondContact O-N 3.49Å; T335-M341 HydrophobicContact CG2-CE 4.36Å |
| 336 | F | 72.5 | Confident | 82.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.1 | -26.9 | 174.4 | -74 | -75.5 | 0 | 0 | 0 | 113.2 | V296 C327 C332 L333 Q338 V342 F391 L395 F399 | V296-F336 HydrophobicContact CG1-CE2 4.28Å; V296-F336 HydrophobicContact CG1-CZ 4.29Å; C327-F336 HydrophobicContact CB-CE2 4.26Å; C327-F336 HydrophobicContact CB-CZ 4.34Å; C332-F336 PolarHBondContact O-N 3.26Å; L333-F336 PolarHBondContact O-N 2.95Å; F336-Q338 PolarHBondContact O-N 2.93Å; F336-V342 WeakPolarHBondContact O-CG2 3.41Å; F336-F391 HydrophobicContact CE1-CZ 4.45Å; F336-L395 HydrophobicContact CD1-CD2 4.18Å; F336-L395 HydrophobicContact CE1-CD2 4.19Å; F336-F399 HydrophobicContact CB-CE2 3.61Å; F336-F399 HydrophobicContact CB-CZ 3.57Å; F336-F399 HydrophobicContact CG-CE2 4.3Å |
| 337 | K | 72.4 | Confident | 82.3 | Confident | 115 Ų | 115 | 55.4 Ų | 55.4 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -9.9 | 173.4 | -75.6 | 172.1 | -173.8 | 175.8 | 0 | 114 | L333 E334 T335 F399 | L333-K337 WeakPolarHBondContact O-CB 3.33Å; L333-K337 WeakPolarHBondContact O-CG 3.32Å; L333-K337 PolarHBondContact O-N 3.48Å; E334-K337 PolarHBondContact O-N 2.9Å; E334-K337 IonicContact OE1-NZ 2.72Å; E334-K337 PolarHBondContact OE1-NZ 3Å; T335-K337 VanDerWaalsContact C-N 3.33Å; K337-F399 HydrophobicContact CG-CE1 3.98Å; K337-F399 HydrophobicContact CG-CZ 4.32Å |
| 338 | Q | 76.9 | Confident | 82.4 | Confident | 115 Ų | 115 | 58.8 Ų | 58.8 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -54 | 141 | 174.6 | -69.6 | -61 | -51.4 | 0 | 0 | 110 | E334 T335 F336 D340 M341 | E334-Q338 PolarHBondContact O-N 2.98Å; E334-Q338 PolarHBondContact O-NE2 3.16Å; T335-Q338 WeakPolarHBondContact O-CB 3.38Å; T335-Q338 VanDerWaalsContact O-CG 3.31Å; T335-Q338 WeakPolarHBondContact O-CG 3.32Å; T335-Q338 PolarHBondContact O-N 3.49Å; F336-Q338 PolarHBondContact O-N 2.93Å; Q338-D340 PolarHBondContact O-N 3.33Å; Q338-M341 HydrophobicContact CB-CB 4.1Å; Q338-M341 WeakPolarHBondContact O-CB 3.34Å; Q338-M341 PolarHBondContact O-N 2.94Å |
| 339 | P | 69.9 | Low | 82.6 | Confident | 109 Ų | 109 | 56 Ų | 56 | 71% | 0.708 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 132.7 | -179.3 | -24.2 | 32.1 | 0 | 0 | 0 | 111.1 | M341 | P339-M341 PolarHBondContact O-N 2.91Å; P339-M341 VanDerWaalsContact O-N 3.09Å |
| 340 | D | 83.8 | Confident | 82.9 | Confident | 94 Ų | 94 | 52.2 Ų | 52.2 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -1.4 | -178.4 | -57.3 | -49.2 | 0 | 0 | 0 | 117.1 | Q338 V342 K343 R344 | Q338-D340 PolarHBondContact O-N 3.33Å; D340-V342 PolarHBondContact O-N 3.41Å; D340-K343 CarbonylContact O-C 3.58Å; D340-K343 WeakPolarHBondContact O-CB 3.33Å; D340-K343 PolarHBondContact O-N 3.49Å; D340-K343 VanDerWaalsContact O-N 3.14Å; D340-R344 WeakPolarHBondContact O-CG 3.06Å; D340-R344 PolarHBondContact O-N 3.44Å |
| 341 | M | 87.4 | Confident | 83.4 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -45.9 | -177.4 | -174.6 | 61.8 | 151.7 | 0 | 0 | 112.3 | W300 T335 Q338 P339 K343 R344 T345 | W300-M341 HydrophobicContact CB-CE 4.42Å; W300-M341 HydrophobicContact CD2-CE 3.6Å; W300-M341 HydrophobicContact CD2-SD 4.07Å; W300-M341 VanDerWaalsContact CE2-SD 3.56Å; W300-M341 HydrophobicContact CE3-CE 4.18Å; W300-M341 HydrophobicContact CG-CE 3.67Å; W300-M341 HydrophobicContact CH2-SD 4.25Å; W300-M341 HydrophobicContact CZ2-CE 4.35Å; W300-M341 HydrophobicContact CZ2-SD 3.68Å; T335-M341 HydrophobicContact CG2-CE 4.36Å; Q338-M341 HydrophobicContact CB-CB 4.1Å; Q338-M341 WeakPolarHBondContact O-CB 3.34Å; Q338-M341 PolarHBondContact O-N 2.94Å; P339-M341 PolarHBondContact O-N 2.91Å; P339-M341 VanDerWaalsContact O-N 3.09Å; M341-K343 VanDerWaalsContact C-N 3.29Å; M341-K343 PolarHBondContact O-N 3.28Å; M341-R344 PolarHBondContact O-N 3.08Å; M341-T345 WeakPolarHBondContact O-CB 3.12Å; M341-T345 PolarHBondContact O-N 2.98Å; M341-T345 PolarHBondContact O-OG1 3.36Å |
| 342 | V | 89.9 | Confident | 84.2 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.7 | -45 | 172.3 | 178 | 0 | 0 | 0 | 0 | 110.2 | F336 D340 T345 C346 F399 E402 V403 I406 | F336-V342 WeakPolarHBondContact O-CG2 3.41Å; D340-V342 PolarHBondContact O-N 3.41Å; V342-T345 PolarHBondContact O-N 3.16Å; V342-C346 WeakPolarHBondContact O-CB 3.44Å; V342-C346 PolarHBondContact O-N 2.74Å; V342-C346 PolarHBondContact O-SG 3.39Å; V342-F399 HydrophobicContact CG1-CB 4.33Å; V342-F399 HydrophobicContact CG2-CB 4.27Å; V342-F399 HydrophobicContact CG2-CD1 4.01Å; V342-F399 HydrophobicContact CG2-CD2 4.14Å; V342-F399 HydrophobicContact CG2-CE1 4.39Å; V342-F399 HydrophobicContact CG2-CG 3.87Å; V342-E402 HydrophobicContact CG1-CB 4.45Å; V342-V403 HydrophobicContact CG1-CG2 3.83Å; V342-I406 HydrophobicContact CG1-CD1 4.17Å |
| 343 | K | 91.8 | Very high | 85.4 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 41% | 0.413 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 179.3 | -175 | 176 | 179.7 | 174.6 | 0 | 112.7 | D340 M341 C346 L347 I406 | D340-K343 CarbonylContact O-C 3.58Å; D340-K343 WeakPolarHBondContact O-CB 3.33Å; D340-K343 PolarHBondContact O-N 3.49Å; D340-K343 VanDerWaalsContact O-N 3.14Å; M341-K343 VanDerWaalsContact C-N 3.29Å; M341-K343 PolarHBondContact O-N 3.28Å; K343-C346 PolarHBondContact O-N 3.28Å; K343-L347 HydrophobicContact CG-CD1 3.83Å; K343-L347 HydrophobicContact CG-CG 4.5Å; K343-L347 WeakPolarHBondContact O-CB 3.28Å; K343-L347 VanDerWaalsContact O-CG 3.32Å; K343-L347 WeakPolarHBondContact O-CG 2.94Å; K343-L347 PolarHBondContact O-N 3.34Å; K343-I406 HydrophobicContact CB-CD1 3.93Å; K343-I406 HydrophobicContact CG-CD1 4.31Å; K343-I406 HydrophobicContact CG-CG1 4.44Å |
| 344 | R | 92.7 | Very high | 86.1 | Confident | 134 Ų | 134 | 50.4 Ų | 50.4 | 51% | 0.506 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.7 | -70.7 | -176.5 | -175.4 | -174.9 | 1.4 | 111.7 | W300 D340 M341 C346 L347 D348 | W300-R344 HydrophobicContact CH2-CB 4.08Å; W300-R344 HydrophobicContact CZ2-CB 3.73Å; D340-R344 WeakPolarHBondContact O-CG 3.06Å; D340-R344 PolarHBondContact O-N 3.44Å; M341-R344 PolarHBondContact O-N 3.08Å; R344-C346 VanDerWaalsContact C-N 3.35Å; R344-C346 PolarHBondContact O-N 3.22Å; R344-L347 PolarHBondContact O-N 2.95Å; R344-D348 WeakPolarHBondContact CB-OD2 3.37Å; R344-D348 WeakPolarHBondContact O-CA 3.46Å; R344-D348 WeakPolarHBondContact O-CB 3.34Å; R344-D348 PolarHBondContact O-N 2.91Å |
| 345 | T | 93 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -60.5 | -46.3 | 174.6 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | W300 M341 V342 I349 I350 F391 L395 | W300-T345 PolarHBondContact NE1-OG1 3.3Å; M341-T345 WeakPolarHBondContact O-CB 3.12Å; M341-T345 PolarHBondContact O-N 2.98Å; M341-T345 PolarHBondContact O-OG1 3.36Å; V342-T345 PolarHBondContact O-N 3.16Å; T345-I349 WeakPolarHBondContact O-CB 3.43Å; T345-I349 PolarHBondContact O-N 3.02Å; T345-I350 HydrophobicContact CG2-CD1 4.3Å; T345-I350 PolarHBondContact O-N 2.64Å; T345-F391 HydrophobicContact CG2-CD1 4.29Å; T345-F391 HydrophobicContact CG2-CE1 3.34Å; T345-F391 HydrophobicContact CG2-CZ 3.55Å; T345-L395 HydrophobicContact CG2-CD1 3.93Å |
| 346 | C | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -61.7 | -45.5 | 176.1 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | V342 K343 R344 I351 I406 F407 | V342-C346 WeakPolarHBondContact O-CB 3.44Å; V342-C346 PolarHBondContact O-N 2.74Å; V342-C346 PolarHBondContact O-SG 3.39Å; K343-C346 PolarHBondContact O-N 3.28Å; R344-C346 VanDerWaalsContact C-N 3.35Å; R344-C346 PolarHBondContact O-N 3.22Å; C346-I351 VanDerWaalsContact O-CB 3.29Å; C346-I351 WeakPolarHBondContact O-CB 3.46Å; C346-I351 VanDerWaalsContact O-CG1 3.28Å; C346-I351 WeakPolarHBondContact O-CG1 3.43Å; C346-I351 PolarHBondContact O-N 2.96Å; C346-I406 HydrophobicContact CB-CG2 3.84Å; C346-F407 HydrophobicContact CB-CE2 3.93Å; C346-F407 HydrophobicContact CB-CZ 4.29Å; C346-F407 VanDerWaalsContact SG-CE2 3.58Å |
| 347 | L | 92.5 | Very high | 88.1 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -83.9 | -53.9 | -173.4 | -64.3 | 174.2 | 0 | 0 | 0 | 113 | K343 R344 I351 R352 I406 Y410 | K343-L347 HydrophobicContact CG-CD1 3.83Å; K343-L347 HydrophobicContact CG-CG 4.5Å; K343-L347 WeakPolarHBondContact O-CB 3.28Å; K343-L347 VanDerWaalsContact O-CG 3.32Å; K343-L347 WeakPolarHBondContact O-CG 2.94Å; K343-L347 PolarHBondContact O-N 3.34Å; R344-L347 PolarHBondContact O-N 2.95Å; L347-I351 HydrophobicContact CD2-CD1 3.83Å; L347-R352 PolarHBondContact O-N 3.36Å; L347-I406 HydrophobicContact CD2-CG2 4.41Å; L347-Y410 HydrophobicContact CD2-CD2 4.47Å |
| 348 | D | 92.5 | Very high | 88.8 | Confident | 72 Ų | 72 | 51 Ų | 51 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -83 | -23.8 | -168.3 | -54.3 | -30.7 | 0 | 0 | 0 | 112.6 | R344 R352 | R344-D348 WeakPolarHBondContact CB-OD2 3.37Å; R344-D348 WeakPolarHBondContact O-CA 3.46Å; R344-D348 WeakPolarHBondContact O-CB 3.34Å; R344-D348 PolarHBondContact O-N 2.91Å; D348-R352 WeakPolarHBondContact O-CB 3.41Å; D348-R352 WeakPolarHBondContact O-CD 3.41Å |
| 349 | I | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -108.7 | -63.8 | 177.9 | -57.4 | 177.1 | 0 | 0 | 0 | 110 | W300 M303 T304 F316 V320 T345 N353 | W300-I349 HydrophobicContact CD2-CD1 4.15Å; W300-I349 HydrophobicContact CG-CD1 4.02Å; W300-I349 HydrophobicContact CZ2-CD1 4.39Å; M303-I349 HydrophobicContact CB-CD1 3.95Å; M303-I349 HydrophobicContact CB-CG1 4.33Å; M303-I349 HydrophobicContact CB-CG2 4.23Å; T304-I349 HydrophobicContact CG2-CD1 4.06Å; T304-I349 HydrophobicContact CG2-CG1 3.86Å; F316-I349 HydrophobicContact CE2-CG2 4.03Å; F316-I349 HydrophobicContact CZ-CG2 4.48Å; V320-I349 HydrophobicContact CG2-CG2 4.31Å; T345-I349 WeakPolarHBondContact O-CB 3.43Å; T345-I349 PolarHBondContact O-N 3.02Å; I349-N353 WeakPolarHBondContact O-CB 3.4Å; I349-N353 PolarHBondContact O-N 3.08Å; I349-N353 PolarHBondContact O-ND2 3.24Å |
| 350 | I | 93.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -70 | -62.9 | -168.1 | -64 | 172 | 0 | 0 | 0 | 111.4 | T345 R352 N353 M354 A388 F391 V392 L395 F407 | T345-I350 HydrophobicContact CG2-CD1 4.3Å; T345-I350 PolarHBondContact O-N 2.64Å; I350-R352 VanDerWaalsContact C-N 3.31Å; I350-R352 PolarHBondContact O-N 3.43Å; I350-N353 CarbonylContact O-C 3.58Å; I350-N353 PolarHBondContact O-N 3.2Å; I350-M354 HydrophobicContact CG2-CG 4.27Å; I350-M354 HydrophobicContact CG2-SD 3.38Å; I350-M354 WeakPolarHBondContact CG2-SD 3.44Å; I350-M354 VanDerWaalsContact O-CG 3.31Å; I350-M354 WeakPolarHBondContact O-CG 3.43Å; I350-M354 PolarHBondContact O-N 2.96Å; I350-A388 HydrophobicContact CG2-CB 4.35Å; I350-F391 HydrophobicContact CD1-CB 4.36Å; I350-F391 HydrophobicContact CD1-CD1 3.72Å; I350-F391 HydrophobicContact CD1-CE1 4.29Å; I350-F391 HydrophobicContact CD1-CG 4.12Å; I350-F391 HydrophobicContact CG1-CD1 3.68Å; I350-F391 HydrophobicContact CG1-CE1 4.32Å; I350-F391 HydrophobicContact CG1-CG 4.42Å; I350-V392 HydrophobicContact CD1-CG2 4.03Å; I350-V392 HydrophobicContact CG2-CG2 3.58Å; I350-L395 HydrophobicContact CD1-CD1 3.55Å; I350-F407 HydrophobicContact CB-CZ 4.42Å; I350-F407 HydrophobicContact CG2-CE1 4.34Å; I350-F407 HydrophobicContact CG2-CZ 3.79Å |
| 351 | I | 92.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -60.1 | -42.7 | -176.4 | -76.1 | 164.2 | 0 | 0 | 0 | 110.8 | C346 L347 N353 M354 Q355 F407 Y410 L435 | C346-I351 VanDerWaalsContact O-CB 3.29Å; C346-I351 WeakPolarHBondContact O-CB 3.46Å; C346-I351 VanDerWaalsContact O-CG1 3.28Å; C346-I351 WeakPolarHBondContact O-CG1 3.43Å; C346-I351 PolarHBondContact O-N 2.96Å; L347-I351 HydrophobicContact CD2-CD1 3.83Å; I351-N353 PolarHBondContact O-N 2.97Å; I351-M354 PolarHBondContact O-N 2.86Å; I351-M354 VanDerWaalsContact O-N 3.16Å; I351-Q355 WeakPolarHBondContact O-CG 3.41Å; I351-F407 HydrophobicContact CD1-CD1 4.12Å; I351-F407 HydrophobicContact CD1-CE1 3.84Å; I351-F407 HydrophobicContact CD1-CZ 4.33Å; I351-F407 HydrophobicContact CG1-CD1 4.29Å; I351-F407 HydrophobicContact CG1-CE1 3.61Å; I351-F407 HydrophobicContact CG1-CZ 4.17Å; I351-Y410 HydrophobicContact CD1-CD1 3.74Å; I351-Y410 HydrophobicContact CD1-CD2 4.46Å; I351-Y410 HydrophobicContact CD1-CE1 4.15Å; I351-Y410 HydrophobicContact CD1-CG 3.91Å; I351-Y410 HydrophobicContact CG1-CD1 4.29Å; I351-Y410 HydrophobicContact CG1-CE1 4.31Å; I351-Y410 HydrophobicContact CG2-CD1 4.15Å; I351-Y410 HydrophobicContact CG2-CE1 3.4Å; I351-Y410 VanDerWaalsContact CG2-CE1 3.4Å; I351-Y410 HydrophobicContact CG2-CE2 4.18Å; I351-Y410 VanDerWaalsContact CG2-CZ 3.44Å; I351-Y410 WeakPolarHBondContact CG2-OH 3.48Å; I351-L435 HydrophobicContact CG1-CD2 4.45Å |
| 352 | R | 92.4 | Very high | 90.7 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 26% | 0.264 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -52 | -41.1 | 174.8 | -179.1 | -177.6 | 173.2 | -99.4 | 5.6 | 112.5 | V306 L308 L347 D348 I350 | V306-R352 PolarHBondContact O-NH1 2.94Å; V306-R352 PolarHBondContact O-NH2 3.37Å; L308-R352 HydrophobicContact CD1-CG 4.48Å; L308-R352 HydrophobicContact CD2-CG 4.18Å; L347-R352 PolarHBondContact O-N 3.36Å; D348-R352 WeakPolarHBondContact O-CB 3.41Å; D348-R352 WeakPolarHBondContact O-CD 3.41Å; I350-R352 VanDerWaalsContact C-N 3.31Å; I350-R352 PolarHBondContact O-N 3.43Å |
| 353 | N | 91.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -94.7 | -2.1 | -176.1 | -70 | -89.3 | 0 | 0 | 0 | 113.8 | L308 F316 I349 I350 I351 R384 | L308-N353 WeakPolarHBondContact CD2-OD1 3.49Å; F316-N353 HydrophobicContact CE1-CB 4Å; F316-N353 HydrophobicContact CE2-CB 3.72Å; F316-N353 WeakPolarHBondContact CE2-ND2 3.49Å; F316-N353 WeakPolarHBondContact CE2-OD1 3.4Å; F316-N353 HydrophobicContact CZ-CB 3.36Å; F316-N353 VanDerWaalsContact CZ-CG 3.45Å; I349-N353 WeakPolarHBondContact O-CB 3.4Å; I349-N353 PolarHBondContact O-N 3.08Å; I349-N353 PolarHBondContact O-ND2 3.24Å; I350-N353 CarbonylContact O-C 3.58Å; I350-N353 PolarHBondContact O-N 3.2Å; I351-N353 PolarHBondContact O-N 2.97Å; N353-R384 HydrophobicContact CB-CG 4.18Å; N353-R384 PolarHBondContact OD1-NE 3.12Å; N353-R384 PolarHBondContact OD1-NH2 3.42Å |
| 354 | M | 88.5 | Confident | 90.8 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -93.4 | -6.1 | 173.5 | -71.5 | 176.2 | 87.3 | 0 | 0 | 113.5 | I350 I351 R385 A388 F434 L435 V438 | I350-M354 HydrophobicContact CG2-CG 4.27Å; I350-M354 HydrophobicContact CG2-SD 3.38Å; I350-M354 WeakPolarHBondContact CG2-SD 3.44Å; I350-M354 VanDerWaalsContact O-CG 3.31Å; I350-M354 WeakPolarHBondContact O-CG 3.43Å; I350-M354 PolarHBondContact O-N 2.96Å; I351-M354 PolarHBondContact O-N 2.86Å; I351-M354 VanDerWaalsContact O-N 3.16Å; M354-R385 PolarHBondContact O-NE 3.44Å; M354-R385 PolarHBondContact O-NH2 3Å; M354-A388 HydrophobicContact CG-CB 3.67Å; M354-A388 HydrophobicContact SD-CB 4.31Å; M354-F434 HydrophobicContact CB-CD1 4.19Å; M354-F434 HydrophobicContact CB-CE1 4.04Å; M354-F434 HydrophobicContact CE-CD1 3.5Å; M354-F434 VanDerWaalsContact CE-CD1 3.5Å; M354-F434 HydrophobicContact CE-CE1 3.12Å; M354-F434 HydrophobicContact CE-CZ 3.98Å; M354-F434 HydrophobicContact CG-CE1 3.96Å; M354-F434 HydrophobicContact SD-CE1 4.35Å; M354-L435 HydrophobicContact CE-CD2 3.66Å; M354-L435 HydrophobicContact SD-CD2 3.66Å; M354-V438 HydrophobicContact CE-CB 4.16Å; M354-V438 HydrophobicContact CE-CG1 4.26Å; M354-V438 HydrophobicContact CE-CG2 3.66Å |
| 355 | Q | 85.1 | Confident | 90.6 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -66.8 | 159.4 | -180 | -62.5 | -170.7 | -10.2 | 0 | 0 | 112.4 | I351 R385 | I351-Q355 WeakPolarHBondContact O-CG 3.41Å; Q355-R385 VanDerWaalsContact C-NH2 3.26Å; Q355-R385 PolarHBondContact O-NE 3.26Å; Q355-R385 PolarHBondContact O-NH2 3.37Å |
| 356 | L | 87 | Confident | 90.5 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 122 | 175.1 | -165.6 | 70.6 | 0 | 0 | 0 | 109.8 | D360 L361 R385 W426 L479 | L356-D360 HydrophobicContact CD1-CB 3.63Å; L356-D360 HydrophobicContact CG-CB 4.29Å; L356-L361 HydrophobicContact CD2-CD1 4.42Å; L356-L361 HydrophobicContact CD2-CD2 3.53Å; L356-L361 HydrophobicContact CD2-CG 3.93Å; L356-L361 HydrophobicContact CG-CD2 4.34Å; L356-L361 HydrophobicContact CG-CG 4.28Å; L356-R385 VanDerWaalsContact CB-NH2 3.27Å; L356-W426 HydrophobicContact CD2-CH2 4.36Å; L356-W426 HydrophobicContact CD2-CZ3 3.9Å; L356-L479 HydrophobicContact CD2-CD2 3.64Å |
| 357 | R | 89 | Confident | 90.4 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 156.6 | 179.8 | -59.4 | -177.2 | -66.6 | -171.3 | -1.7 | 110.5 | L308 D313 G359 D360 L361 | L308-R357 VanDerWaalsContact O-CD 3.3Å; L308-R357 WeakPolarHBondContact O-CD 3.33Å; D313-R357 IonicContact OD1-CZ 3.03Å; D313-R357 IonicContact OD1-NH1 3.67Å; D313-R357 PolarHBondContact OD1-NH1 3.45Å; D313-R357 IonicContact OD2-CZ 3.6Å; D313-R357 IonicContact OD2-NH1 3.8Å; D313-R357 PolarHBondContact OD2-NH1 3.38Å; D313-R357 IonicContact OD2-NH2 2.6Å; D313-R357 PolarHBondContact OD2-NH2 3.44Å; D313-R357 VanDerWaalsContact OD2-NH2 3.09Å; R357-G359 VanDerWaalsContact C-N 3.25Å; R357-G359 PolarHBondContact O-N 3.49Å; R357-D360 WeakPolarHBondContact CB-OD2 3.48Å; R357-D360 IonicContact CZ-OD1 2.71Å; R357-D360 PolarHBondContact N-OD2 3.17Å; R357-D360 IonicContact NE-OD1 2.76Å; R357-D360 PolarHBondContact NE-OD1 3.49Å; R357-D360 IonicContact NE-OD2 3.92Å; R357-D360 IonicContact NH2-OD1 3.77Å; R357-D360 WeakPolarHBondContact O-CB 3.36Å; R357-D360 PolarHBondContact O-N 2.86Å; R357-L361 PolarHBondContact O-N 2.97Å |
| 358 | P | 87.9 | Confident | 90.3 | Very high | 107 Ų | 107 | 45.2 Ų | 45.2 | 70% | 0.695 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -55.8 | -39.3 | 171.3 | -25.9 | 35.5 | 0 | 0 | 0 | 113.2 | D360 L361 E362 | P358-D360 VanDerWaalsContact C-N 3.34Å; P358-D360 PolarHBondContact O-N 3.38Å; P358-L361 WeakPolarHBondContact O-CB 3.45Å; P358-L361 PolarHBondContact O-N 3.24Å; P358-L361 VanDerWaalsContact O-N 3.15Å; P358-E362 PolarHBondContact O-N 3.01Å |
| 359 | G | 86.9 | Confident | 90.1 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E310 R357 L361 E362 L363 | E310-G359 WeakPolarHBondContact OE1-CA 3.43Å; R357-G359 VanDerWaalsContact C-N 3.25Å; R357-G359 PolarHBondContact O-N 3.49Å; G359-L361 VanDerWaalsContact C-N 3.27Å; G359-L361 PolarHBondContact O-N 3.44Å; G359-E362 PolarHBondContact O-N 3.05Å; G359-L363 WeakPolarHBondContact O-CG 3.3Å; G359-L363 PolarHBondContact O-N 2.93Å |
| 360 | D | 89.2 | Confident | 89.8 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 174.2 | -49.4 | -28.8 | 0 | 0 | 0 | 111.7 | L356 R357 P358 F364 Y371 R385 | L356-D360 HydrophobicContact CD1-CB 3.63Å; L356-D360 HydrophobicContact CG-CB 4.29Å; R357-D360 WeakPolarHBondContact CB-OD2 3.48Å; R357-D360 IonicContact CZ-OD1 2.71Å; R357-D360 PolarHBondContact N-OD2 3.17Å; R357-D360 IonicContact NE-OD1 2.76Å; R357-D360 PolarHBondContact NE-OD1 3.49Å; R357-D360 IonicContact NE-OD2 3.92Å; R357-D360 IonicContact NH2-OD1 3.77Å; R357-D360 WeakPolarHBondContact O-CB 3.36Å; R357-D360 PolarHBondContact O-N 2.86Å; P358-D360 VanDerWaalsContact C-N 3.34Å; P358-D360 PolarHBondContact O-N 3.38Å; D360-F364 WeakPolarHBondContact O-CB 3.49Å; D360-F364 PolarHBondContact O-N 3.32Å; D360-Y371 HydrophobicContact CB-CE2 4.42Å; D360-Y371 VanDerWaalsContact O-CD2 3.24Å; D360-Y371 WeakPolarHBondContact O-CD2 3.34Å; D360-Y371 WeakPolarHBondContact O-CE2 3.15Å; D360-R385 IonicContact OD2-CZ 3.99Å; D360-R385 IonicContact OD2-NE 2.78Å |
| 361 | L | 90.2 | Very high | 89.6 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.3 | -38.6 | 176 | -68.9 | 173.4 | 0 | 0 | 0 | 112 | L356 R357 P358 G359 L363 F364 E365 W426 L479 | L356-L361 HydrophobicContact CD2-CD1 4.42Å; L356-L361 HydrophobicContact CD2-CD2 3.53Å; L356-L361 HydrophobicContact CD2-CG 3.93Å; L356-L361 HydrophobicContact CG-CD2 4.34Å; L356-L361 HydrophobicContact CG-CG 4.28Å; R357-L361 PolarHBondContact O-N 2.97Å; P358-L361 WeakPolarHBondContact O-CB 3.45Å; P358-L361 PolarHBondContact O-N 3.24Å; P358-L361 VanDerWaalsContact O-N 3.15Å; G359-L361 VanDerWaalsContact C-N 3.27Å; G359-L361 PolarHBondContact O-N 3.44Å; L361-L363 VanDerWaalsContact C-N 3.34Å; L361-F364 WeakPolarHBondContact O-CB 3.44Å; L361-F364 PolarHBondContact O-N 2.95Å; L361-E365 PolarHBondContact O-N 3.23Å; L361-W426 HydrophobicContact CD1-CH2 4.03Å; L361-W426 HydrophobicContact CD2-CH2 3.85Å; L361-W426 HydrophobicContact CD2-CZ3 4.33Å; L361-L479 HydrophobicContact CD2-CD2 4.16Å |
| 362 | E | 90.9 | Very high | 89.6 | Confident | 132 Ų | 132 | 48.8 Ų | 48.8 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 173.1 | -175.3 | 171.7 | -175.1 | 0 | 0 | 110.5 | P358 G359 F364 E365 S366 | P358-E362 PolarHBondContact O-N 3.01Å; G359-E362 PolarHBondContact O-N 3.05Å; E362-F364 PolarHBondContact O-N 3.16Å; E362-E365 PolarHBondContact O-N 3.04Å; E362-S366 WeakPolarHBondContact O-CB 3.24Å; E362-S366 PolarHBondContact O-N 3.34Å; E362-S366 PolarHBondContact O-OG 3.44Å |
| 363 | L | 90.3 | Very high | 89.3 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 173.8 | -70.5 | 175.4 | 0 | 0 | 0 | 111.8 | G359 L361 E365 S367 E370 Y371 | G359-L363 WeakPolarHBondContact O-CG 3.3Å; G359-L363 PolarHBondContact O-N 2.93Å; L361-L363 VanDerWaalsContact C-N 3.34Å; L363-E365 PolarHBondContact O-N 3.14Å; L363-S367 CarbonylContact O-C 3.49Å; L363-S367 WeakPolarHBondContact O-CA 3.43Å; L363-S367 PolarHBondContact O-N 3.4Å; L363-S367 VanDerWaalsContact O-O 3.08Å; L363-E370 HydrophobicContact CD2-CB 4.4Å; L363-Y371 HydrophobicContact CB-CD2 4.37Å |
| 364 | F | 92.2 | Very high | 89 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -35.9 | 177 | -176.6 | -89.5 | 0 | 0 | 0 | 112.8 | D360 L361 E362 Y371 P478 L479 A482 C515 V517 | D360-F364 WeakPolarHBondContact O-CB 3.49Å; D360-F364 PolarHBondContact O-N 3.32Å; L361-F364 WeakPolarHBondContact O-CB 3.44Å; L361-F364 PolarHBondContact O-N 2.95Å; E362-F364 PolarHBondContact O-N 3.16Å; F364-Y371 HydrophobicContact CB-CD2 3.88Å; F364-Y371 HydrophobicContact CB-CE2 4.08Å; F364-Y371 HydrophobicContact CB-CG 4.17Å; F364-Y371 AromaticContact CD2-CD1 3.82Å; F364-Y371 HydrophobicContact CD2-CD1 3.82Å; F364-Y371 HydrophobicContact CD2-CD2 4.38Å; F364-Y371 AromaticContact CD2-CE1 3.61Å; F364-Y371 HydrophobicContact CD2-CE1 3.61Å; F364-Y371 HydrophobicContact CD2-CE2 4.18Å; F364-Y371 HydrophobicContact CD2-CG 4.2Å; F364-Y371 AromaticContact CD2-CZ 3.8Å; F364-Y371 HydrophobicContact CE2-CE1 4.23Å; F364-P478 HydrophobicContact CE1-CB 4.14Å; F364-P478 HydrophobicContact CZ-CB 4.09Å; F364-L479 HydrophobicContact CD2-CD1 3.72Å; F364-L479 HydrophobicContact CE2-CD1 3.66Å; F364-L479 HydrophobicContact CG-CD1 4.34Å; F364-L479 HydrophobicContact CZ-CB 4.33Å; F364-L479 HydrophobicContact CZ-CD1 4.26Å; F364-A482 HydrophobicContact CE2-CB 4.06Å; F364-C515 VanDerWaalsContact CZ-SG 3.58Å; F364-V517 HydrophobicContact CD2-CB 4.16Å; F364-V517 HydrophobicContact CD2-CG1 4.12Å; F364-V517 HydrophobicContact CD2-CG2 3.74Å; F364-V517 HydrophobicContact CE2-CB 3.68Å; F364-V517 HydrophobicContact CE2-CG1 3.68Å; F364-V517 HydrophobicContact CE2-CG2 3.76Å; F364-V517 HydrophobicContact CG-CG2 4.31Å; F364-V517 HydrophobicContact CZ-CB 4.19Å; F364-V517 HydrophobicContact CZ-CG2 4.34Å |
| 365 | E | 90.6 | Very high | 89.1 | Confident | 162 Ų | 162 | 54.7 Ų | 54.7 | 76% | 0.757 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -91 | -42 | -179.3 | -66.5 | -178.1 | -177.3 | 0 | 0 | 113.3 | L361 E362 L363 | L361-E365 PolarHBondContact O-N 3.23Å; E362-E365 PolarHBondContact O-N 3.04Å; L363-E365 PolarHBondContact O-N 3.14Å |
| 366 | S | 90.3 | Very high | 89.1 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 51% | 0.51 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -92.4 | -37.7 | -171.6 | 68.8 | 0 | 0 | 0 | 0 | 114 | E362 | E362-S366 WeakPolarHBondContact O-CB 3.24Å; E362-S366 PolarHBondContact O-N 3.34Å; E362-S366 PolarHBondContact O-OG 3.44Å |
| 367 | S | 90.6 | Very high | 88.4 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | trans | -135.5 | 66.5 | -176.5 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | L363 D369 E370 Y371 | L363-S367 CarbonylContact O-C 3.49Å; L363-S367 WeakPolarHBondContact O-CA 3.43Å; L363-S367 PolarHBondContact O-N 3.4Å; L363-S367 VanDerWaalsContact O-O 3.08Å; S367-D369 PolarHBondContact O-N 3.22Å; S367-E370 PolarHBondContact O-N 3.45Å; S367-Y371 PolarHBondContact O-N 3.03Å; S367-Y371 VanDerWaalsContact O-N 3.12Å | ||
| 368 | P | 90.9 | Very high | 87.2 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 10% | 0.104 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.2 | -32.3 | -176.4 | -30.8 | 37.6 | 0 | 0 | 0 | 115.3 | A372 P516 V517 M520 | P368-A372 VanDerWaalsContact O-CB 3.32Å; P368-A372 WeakPolarHBondContact O-CB 3.48Å; P368-A372 PolarHBondContact O-N 3.45Å; P368-P516 HydrophobicContact CB-CB 3.71Å; P368-P516 HydrophobicContact CB-CG 4.35Å; P368-P516 HydrophobicContact CG-CB 3.83Å; P368-P516 HydrophobicContact CG-CG 3.9Å; P368-V517 HydrophobicContact CB-CG2 3.63Å; P368-V517 HydrophobicContact CG-CG2 4.42Å; P368-M520 HydrophobicContact CB-CE 3.99Å; P368-M520 HydrophobicContact CB-SD 4.47Å |
| 369 | D | 88 | Confident | 85.5 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64 | -48.7 | 177.1 | -71.3 | -51.9 | 0 | 0 | 0 | 111.3 | S367 A372 E373 M520 K613 | S367-D369 PolarHBondContact O-N 3.22Å; D369-A372 PolarHBondContact O-N 2.98Å; D369-E373 WeakPolarHBondContact O-CB 3.47Å; D369-E373 PolarHBondContact O-N 3.33Å; D369-M520 HydrophobicContact CB-CE 4.45Å; D369-M520 WeakPolarHBondContact OD1-CE 3.31Å; D369-K613 IonicContact OD1-NZ 3.85Å; D369-K613 IonicContact OD2-NZ 2.86Å; D369-K613 PolarHBondContact OD2-NZ 3.43Å |
| 370 | E | 87 | Confident | 83.9 | Confident | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 179.8 | -65.3 | -176.7 | -171 | 0 | 0 | 110.9 | L363 S367 E373 Q374 | L363-E370 HydrophobicContact CD2-CB 4.4Å; S367-E370 PolarHBondContact O-N 3.45Å; E370-E373 PolarHBondContact O-N 2.86Å; E370-Q374 WeakPolarHBondContact O-CG 3.15Å; E370-Q374 PolarHBondContact O-N 3.05Å |
| 371 | Y | 91.1 | Very high | 82.9 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58 | -51 | 173.4 | -179.1 | -88.7 | 0 | 0 | 0 | 111.4 | D360 L363 F364 S367 E373 Q374 D375 L479 V517 Y521 | D360-Y371 HydrophobicContact CB-CE2 4.42Å; D360-Y371 VanDerWaalsContact O-CD2 3.24Å; D360-Y371 WeakPolarHBondContact O-CD2 3.34Å; D360-Y371 WeakPolarHBondContact O-CE2 3.15Å; L363-Y371 HydrophobicContact CB-CD2 4.37Å; F364-Y371 HydrophobicContact CB-CD2 3.88Å; F364-Y371 HydrophobicContact CB-CE2 4.08Å; F364-Y371 HydrophobicContact CB-CG 4.17Å; F364-Y371 AromaticContact CD2-CD1 3.82Å; F364-Y371 HydrophobicContact CD2-CD1 3.82Å; F364-Y371 HydrophobicContact CD2-CD2 4.38Å; F364-Y371 AromaticContact CD2-CE1 3.61Å; F364-Y371 HydrophobicContact CD2-CE1 3.61Å; F364-Y371 HydrophobicContact CD2-CE2 4.18Å; F364-Y371 HydrophobicContact CD2-CG 4.2Å; F364-Y371 AromaticContact CD2-CZ 3.8Å; F364-Y371 HydrophobicContact CE2-CE1 4.23Å; S367-Y371 PolarHBondContact O-N 3.03Å; S367-Y371 VanDerWaalsContact O-N 3.12Å; Y371-E373 VanDerWaalsContact C-N 3.32Å; Y371-E373 PolarHBondContact O-N 3.48Å; Y371-Q374 PolarHBondContact O-N 3.38Å; Y371-D375 HydrophobicContact CD1-CB 4.43Å; Y371-D375 HydrophobicContact CE1-CB 4.09Å; Y371-D375 WeakPolarHBondContact O-CB 3.5Å; Y371-D375 PolarHBondContact O-N 3.12Å; Y371-L479 WeakPolarHBondContact OH-CD1 3.35Å; Y371-V517 HydrophobicContact CD1-CG1 3.88Å; Y371-V517 HydrophobicContact CD1-CG2 4.16Å; Y371-V517 HydrophobicContact CE1-CG1 4.05Å; Y371-Y521 WeakPolarHBondContact CE1-OH 3.34Å |
| 372 | A | 90.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | P368 D369 L376 M520 Y521 Y573 | P368-A372 VanDerWaalsContact O-CB 3.32Å; P368-A372 WeakPolarHBondContact O-CB 3.48Å; P368-A372 PolarHBondContact O-N 3.45Å; D369-A372 PolarHBondContact O-N 2.98Å; A372-L376 VanDerWaalsContact O-CB 3.3Å; A372-L376 WeakPolarHBondContact O-CB 3.31Å; A372-L376 PolarHBondContact O-N 3.43Å; A372-M520 HydrophobicContact CB-SD 3.8Å; A372-Y521 HydrophobicContact CB-CE1 3.79Å; A372-Y573 HydrophobicContact CB-CE2 4.01Å; A372-Y573 PolarHBondContact O-OH 3.17Å |
| 373 | E | 86.1 | Confident | 82.2 | Confident | 98 Ų | 98 | 57.5 Ų | 57.5 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 175.8 | -176.3 | 166.8 | -155.3 | 0 | 0 | 112.2 | D369 E370 Y371 G377 L381 | D369-E373 WeakPolarHBondContact O-CB 3.47Å; D369-E373 PolarHBondContact O-N 3.33Å; E370-E373 PolarHBondContact O-N 2.86Å; Y371-E373 VanDerWaalsContact C-N 3.32Å; Y371-E373 PolarHBondContact O-N 3.48Å; E373-G377 WeakPolarHBondContact O-CA 3.27Å; E373-G377 PolarHBondContact O-N 2.99Å; E373-L381 HydrophobicContact CG-CD1 3.71Å |
| 374 | Q | 86.6 | Confident | 82.2 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 176.2 | -70.3 | -179.8 | 12.4 | 0 | 0 | 113 | E370 Y371 T383 | E370-Q374 WeakPolarHBondContact O-CG 3.15Å; E370-Q374 PolarHBondContact O-N 3.05Å; Y371-Q374 PolarHBondContact O-N 3.38Å; Q374-T383 HydrophobicContact CB-CG2 4.22Å; Q374-T383 HydrophobicContact CG-CG2 4.44Å |
| 375 | D | 89.6 | Confident | 82 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -90.7 | -34.8 | -170.6 | -169 | 63 | 0 | 0 | 0 | 113.9 | Y371 K486 Y521 | Y371-D375 HydrophobicContact CD1-CB 4.43Å; Y371-D375 HydrophobicContact CE1-CB 4.09Å; Y371-D375 WeakPolarHBondContact O-CB 3.5Å; Y371-D375 PolarHBondContact O-N 3.12Å; D375-K486 WeakPolarHBondContact O-CE 3.3Å; D375-K486 PolarHBondContact O-NZ 3.4Å; D375-K486 IonicContact OD1-NZ 2.67Å; D375-K486 PolarHBondContact OD1-NZ 3.48Å; D375-K486 VanDerWaalsContact OD2-CD 3.32Å; D375-K486 WeakPolarHBondContact OD2-CD 3.28Å; D375-K486 WeakPolarHBondContact OD2-CE 3.04Å; D375-K486 IonicContact OD2-NZ 2.81Å; D375-K486 PolarHBondContact OD2-NZ 3.46Å; D375-Y521 VanDerWaalsContact CB-OH 3.28Å; D375-Y521 WeakPolarHBondContact CB-OH 3.35Å; D375-Y521 VanDerWaalsContact CG-OH 3.32Å; D375-Y521 PolarHBondContact OD2-OH 2.74Å |
| 376 | L | 86.9 | Confident | 81.8 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -100.9 | -9.6 | 175.1 | -60.7 | -176.9 | 0 | 0 | 0 | 114.1 | A372 K486 I489 Y521 N524 Y573 | A372-L376 VanDerWaalsContact O-CB 3.3Å; A372-L376 WeakPolarHBondContact O-CB 3.31Å; A372-L376 PolarHBondContact O-N 3.43Å; L376-K486 HydrophobicContact CD2-CB 4.49Å; L376-K486 HydrophobicContact CD2-CG 4.07Å; L376-I489 HydrophobicContact CD1-CD1 4.11Å; L376-I489 HydrophobicContact CD2-CD1 3.98Å; L376-Y521 HydrophobicContact CD1-CD1 3.46Å; L376-Y521 VanDerWaalsContact CD1-CD1 3.46Å; L376-Y521 HydrophobicContact CD1-CD2 4.38Å; L376-Y521 HydrophobicContact CD1-CE1 3.43Å; L376-Y521 VanDerWaalsContact CD1-CE1 3.43Å; L376-Y521 HydrophobicContact CD1-CE2 4.37Å; L376-Y521 HydrophobicContact CD1-CG 3.96Å; L376-Y521 HydrophobicContact CD2-CD2 4.32Å; L376-Y521 HydrophobicContact CD2-CE1 4.3Å; L376-Y521 HydrophobicContact CD2-CE2 3.92Å; L376-Y521 HydrophobicContact CG-CD1 4.17Å; L376-Y521 HydrophobicContact CG-CE1 3.65Å; L376-Y521 HydrophobicContact CG-CE2 4.18Å; L376-N524 HydrophobicContact CD1-CB 4.39Å; L376-Y573 HydrophobicContact CD1-CE1 4.44Å |
| 377 | G | 71 | Confident | 81.8 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | trans | -51.4 | 159.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E373 | E373-G377 WeakPolarHBondContact O-CA 3.27Å; E373-G377 PolarHBondContact O-N 2.99Å | ||
| 378 | G | 63.4 | Low | 81.9 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | trans | -70.2 | -173.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D380 | G378-D380 PolarHBondContact O-N 3.46Å; G378-D380 VanDerWaalsContact O-N 3.12Å | ||
| 379 | S | 52.3 | Low | 81.8 | Confident | 85 Ų | 85 | 46.4 Ų | 46.4 | 59% | 0.594 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.2 | 176.7 | 42.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 380 | D | 54.4 | Low | 81.9 | Confident | 147 Ų | 147 | 46.2 Ų | 46.2 | 79% | 0.786 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -7.5 | -164.5 | -49.9 | -16.4 | 0 | 0 | 0 | 112.5 | G378 | G378-D380 PolarHBondContact O-N 3.46Å; G378-D380 VanDerWaalsContact O-N 3.12Å |
| 381 | L | 67.4 | Low | 82.2 | Confident | 73 Ų | 73 | 41.4 Ų | 41.4 | 38% | 0.382 | 23% | 0.232 | S | C | . | . | trans | -101.6 | 102.5 | 176 | -68.8 | 173.3 | 0 | 0 | 0 | 110.2 | E373 T383 | E373-L381 HydrophobicContact CG-CD1 3.71Å; L381-T383 PolarHBondContact O-N 3.43Å; L381-T383 VanDerWaalsContact O-N 3.09Å | ||
| 382 | D | 79.9 | Confident | 82.2 | Confident | 78 Ų | 78 | 41.2 Ų | 41.2 | 42% | 0.417 | 23% | 0.231 | S | C | . | . | trans | -73.6 | 100 | 172.1 | -82.2 | -30.4 | 0 | 0 | 0 | 110.4 | I317 H321 V387 | I317-D382 HydrophobicContact CD1-CB 4.28Å; I317-D382 WeakPolarHBondContact CD1-O 3.38Å; I317-D382 HydrophobicContact CG2-CB 3.98Å; H321-D382 IonicContact CD2-OD2 2.73Å; H321-D382 IonicContact CE1-OD1 3.88Å; H321-D382 PolarHBondContact CE1-OD1 3.29Å; H321-D382 IonicContact CE1-OD2 3.52Å; H321-D382 IonicContact NE2-OD1 2.72Å; H321-D382 PolarHBondContact NE2-OD1 3.38Å; H321-D382 IonicContact NE2-OD2 3.09Å; H321-D382 PolarHBondContact NE2-OD2 3.39Å; D382-V387 HydrophobicContact CB-CG2 4.11Å | ||
| 383 | T | 87 | Confident | 82.1 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 20% | 0.202 | 25% | 0.245 | C | C | . | . | trans | -101.7 | 153.8 | 167 | 69.9 | 0 | 0 | 0 | 0 | 110.2 | Q374 L381 R385 R386 V387 | Q374-T383 HydrophobicContact CB-CG2 4.22Å; Q374-T383 HydrophobicContact CG-CG2 4.44Å; L381-T383 PolarHBondContact O-N 3.43Å; L381-T383 VanDerWaalsContact O-N 3.09Å; T383-R385 PolarHBondContact O-N 3.05Å; T383-R386 WeakPolarHBondContact O-CA 3.3Å; T383-R386 WeakPolarHBondContact O-CB 3.44Å; T383-R386 PolarHBondContact O-N 2.66Å; T383-R386 VanDerWaalsContact OG1-CB 3.23Å; T383-R386 WeakPolarHBondContact OG1-CB 3.44Å; T383-R386 PolarHBondContact OG1-N 3.36Å; T383-V387 WeakPolarHBondContact O-CG2 3.48Å; T383-V387 PolarHBondContact O-N 2.93Å | ||
| 384 | R | 89.5 | Confident | 82.3 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -49.5 | -45.6 | 176.5 | -172 | 171 | -146.2 | 149.9 | -5.2 | 113.1 | N307 L308 L309 D313 F316 N353 A388 | N307-R384 VanDerWaalsContact O-CZ 3.32Å; N307-R384 PolarHBondContact O-NH1 2.94Å; N307-R384 PolarHBondContact O-NH2 2.81Å; L308-R384 PolarHBondContact O-NH1 3.32Å; L309-R384 PolarHBondContact O-NH1 3.45Å; D313-R384 WeakPolarHBondContact OD1-CD 3.31Å; D313-R384 IonicContact OD1-CZ 3.24Å; D313-R384 IonicContact OD1-NE 3.12Å; D313-R384 IonicContact OD1-NH1 3.37Å; D313-R384 PolarHBondContact OD1-NH1 2.82Å; F316-R384 HydrophobicContact CD1-CB 4.4Å; F316-R384 HydrophobicContact CD1-CG 3.53Å; F316-R384 HydrophobicContact CE1-CG 3.65Å; F316-R384 WeakPolarHBondContact CE1-O 3.38Å; F316-R384 HydrophobicContact CG-CG 4.26Å; F316-R384 HydrophobicContact CZ-CG 4.49Å; N353-R384 HydrophobicContact CB-CG 4.18Å; N353-R384 PolarHBondContact OD1-NE 3.12Å; N353-R384 PolarHBondContact OD1-NH2 3.42Å; R384-A388 WeakPolarHBondContact O-CB 2.84Å; R384-A388 PolarHBondContact O-N 3.22Å; R384-A388 VanDerWaalsContact O-N 3.13Å |
| 385 | R | 89 | Confident | 82.5 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.8 | -38.3 | 177.3 | -74 | 176.2 | 163.5 | -156.4 | -16.3 | 112.5 | M354 Q355 L356 D360 T383 S389 F434 | M354-R385 PolarHBondContact O-NE 3.44Å; M354-R385 PolarHBondContact O-NH2 3Å; Q355-R385 VanDerWaalsContact C-NH2 3.26Å; Q355-R385 PolarHBondContact O-NE 3.26Å; Q355-R385 PolarHBondContact O-NH2 3.37Å; L356-R385 VanDerWaalsContact CB-NH2 3.27Å; D360-R385 IonicContact OD2-CZ 3.99Å; D360-R385 IonicContact OD2-NE 2.78Å; T383-R385 PolarHBondContact O-N 3.05Å; R385-S389 WeakPolarHBondContact O-CB 3.49Å; R385-S389 PolarHBondContact O-N 3.4Å; R385-F434 HydrophobicContact CB-CE1 3.98Å; R385-F434 HydrophobicContact CB-CZ 3.8Å; R385-F434 HydrophobicContact CG-CE1 4.3Å; R385-F434 HydrophobicContact CG-CZ 4.49Å |
| 386 | R | 85.8 | Confident | 82.4 | Confident | 62 Ų | 62 | 35.8 Ų | 35.8 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.2 | -48.6 | -179.7 | 179 | 57.4 | -171.8 | -129 | -10.6 | 111.6 | T383 A388 S389 D390 | T383-R386 WeakPolarHBondContact O-CA 3.3Å; T383-R386 WeakPolarHBondContact O-CB 3.44Å; T383-R386 PolarHBondContact O-N 2.66Å; T383-R386 VanDerWaalsContact OG1-CB 3.23Å; T383-R386 WeakPolarHBondContact OG1-CB 3.44Å; T383-R386 PolarHBondContact OG1-N 3.36Å; R386-A388 VanDerWaalsContact C-N 3.29Å; R386-A388 PolarHBondContact O-N 3.13Å; R386-S389 CarbonylContact O-C 3.38Å; R386-S389 WeakPolarHBondContact O-CA 3.46Å; R386-S389 VanDerWaalsContact O-CB 3.27Å; R386-S389 WeakPolarHBondContact O-CB 3.4Å; R386-S389 PolarHBondContact O-N 3.49Å; R386-D390 IonicContact CZ-OD1 3.94Å; R386-D390 IonicContact CZ-OD2 3.72Å; R386-D390 IonicContact NE-OD1 3.27Å; R386-D390 PolarHBondContact NE-OD1 3.29Å; R386-D390 IonicContact NE-OD2 3.93Å; R386-D390 PolarHBondContact NE-OD2 3.24Å; R386-D390 IonicContact NH2-OD1 2.87Å; R386-D390 IonicContact NH2-OD2 3.97Å; R386-D390 PolarHBondContact O-N 2.94Å |
| 387 | V | 91.1 | Very high | 82.5 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 178.7 | 179 | 0 | 0 | 0 | 0 | 111 | I317 V320 D382 T383 S389 D390 F391 | I317-V387 HydrophobicContact CB-CG2 4.41Å; I317-V387 HydrophobicContact CG1-CG2 4.02Å; I317-V387 HydrophobicContact CG2-CG2 4.08Å; V320-V387 HydrophobicContact CB-CG1 3.68Å; V320-V387 HydrophobicContact CG1-CG1 3.59Å; D382-V387 HydrophobicContact CB-CG2 4.11Å; T383-V387 WeakPolarHBondContact O-CG2 3.48Å; T383-V387 PolarHBondContact O-N 2.93Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 2.87Å; V387-D390 PolarHBondContact O-N 3.45Å; V387-F391 PolarHBondContact O-N 2.88Å |
| 388 | A | 92.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F316 I350 M354 R384 R386 F391 V392 | F316-A388 HydrophobicContact CE1-CB 4.41Å; F316-A388 HydrophobicContact CZ-CB 4.35Å; I350-A388 HydrophobicContact CG2-CB 4.35Å; M354-A388 HydrophobicContact CG-CB 3.67Å; M354-A388 HydrophobicContact SD-CB 4.31Å; R384-A388 WeakPolarHBondContact O-CB 2.84Å; R384-A388 PolarHBondContact O-N 3.22Å; R384-A388 VanDerWaalsContact O-N 3.13Å; R386-A388 VanDerWaalsContact C-N 3.29Å; R386-A388 PolarHBondContact O-N 3.13Å; A388-F391 PolarHBondContact O-N 3Å; A388-V392 PolarHBondContact O-N 2.98Å |
| 389 | S | 89 | Confident | 84.5 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 112.8 | R385 R386 V387 F391 V392 K393 V438 | R385-S389 WeakPolarHBondContact O-CB 3.49Å; R385-S389 PolarHBondContact O-N 3.4Å; R386-S389 CarbonylContact O-C 3.38Å; R386-S389 WeakPolarHBondContact O-CA 3.46Å; R386-S389 VanDerWaalsContact O-CB 3.27Å; R386-S389 WeakPolarHBondContact O-CB 3.4Å; R386-S389 PolarHBondContact O-N 3.49Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 2.87Å; S389-F391 VanDerWaalsContact C-N 3.26Å; S389-F391 PolarHBondContact O-N 3.4Å; S389-V392 WeakPolarHBondContact O-CB 3.48Å; S389-V392 PolarHBondContact O-N 3.17Å; S389-K393 PolarHBondContact O-N 3.14Å; S389-V438 VanDerWaalsContact OG-CG1 3.3Å; S389-V438 WeakPolarHBondContact OG-CG1 3.24Å; S389-V438 WeakPolarHBondContact OG-CG2 3.48Å |
| 390 | D | 88.9 | Confident | 86.2 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.3 | -29.2 | 177.9 | -69 | -31.6 | 0 | 0 | 0 | 111.1 | R386 V387 K393 A394 | R386-D390 IonicContact CZ-OD1 3.94Å; R386-D390 IonicContact CZ-OD2 3.72Å; R386-D390 IonicContact NE-OD1 3.27Å; R386-D390 PolarHBondContact NE-OD1 3.29Å; R386-D390 IonicContact NE-OD2 3.93Å; R386-D390 PolarHBondContact NE-OD2 3.24Å; R386-D390 IonicContact NH2-OD1 2.87Å; R386-D390 IonicContact NH2-OD2 3.97Å; R386-D390 PolarHBondContact O-N 2.94Å; V387-D390 PolarHBondContact O-N 3.45Å; D390-K393 WeakPolarHBondContact O-CB 3.41Å; D390-K393 PolarHBondContact O-N 3.41Å; D390-K393 IonicContact OD1-NZ 2.95Å; D390-K393 PolarHBondContact OD1-NZ 2.95Å; D390-A394 PolarHBondContact O-N 3.39Å |
| 391 | F | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | 169.9 | -166.4 | -158.3 | 0 | 0 | 0 | 113.1 | V320 L323 S324 F336 T345 I350 V387 A388 S389 K393 A394 L395 | V320-F391 HydrophobicContact CG1-CB 3.6Å; V320-F391 HydrophobicContact CG1-CD1 3.69Å; V320-F391 HydrophobicContact CG1-CG 3.78Å; L323-F391 HydrophobicContact CB-CE1 4.29Å; L323-F391 HydrophobicContact CB-CE2 4.01Å; L323-F391 HydrophobicContact CB-CZ 3.75Å; L323-F391 HydrophobicContact CD1-CE1 4.37Å; L323-F391 HydrophobicContact CD1-CZ 4.37Å; S324-F391 WeakPolarHBondContact OG-CA 3.46Å; S324-F391 WeakPolarHBondContact OG-CB 3.28Å; S324-F391 VanDerWaalsContact OG-CD2 3.22Å; S324-F391 WeakPolarHBondContact OG-CD2 3.24Å; S324-F391 WeakPolarHBondContact OG-CG 3.45Å; F336-F391 HydrophobicContact CE1-CZ 4.45Å; T345-F391 HydrophobicContact CG2-CD1 4.29Å; T345-F391 HydrophobicContact CG2-CE1 3.34Å; T345-F391 HydrophobicContact CG2-CZ 3.55Å; I350-F391 HydrophobicContact CD1-CB 4.36Å; I350-F391 HydrophobicContact CD1-CD1 3.72Å; I350-F391 HydrophobicContact CD1-CE1 4.29Å; I350-F391 HydrophobicContact CD1-CG 4.12Å; I350-F391 HydrophobicContact CG1-CD1 3.68Å; I350-F391 HydrophobicContact CG1-CE1 4.32Å; I350-F391 HydrophobicContact CG1-CG 4.42Å; V387-F391 PolarHBondContact O-N 2.88Å; A388-F391 PolarHBondContact O-N 3Å; S389-F391 VanDerWaalsContact C-N 3.26Å; S389-F391 PolarHBondContact O-N 3.4Å; F391-K393 VanDerWaalsContact C-N 3.31Å; F391-K393 PolarHBondContact O-N 3.1Å; F391-A394 HydrophobicContact CD2-CB 4.28Å; F391-A394 WeakPolarHBondContact O-CB 3.17Å; F391-A394 PolarHBondContact O-N 2.78Å; F391-L395 HydrophobicContact CD2-CG 4.23Å; F391-L395 HydrophobicContact CE2-CD1 4.46Å; F391-L395 HydrophobicContact CE2-CD2 4.21Å; F391-L395 HydrophobicContact CE2-CG 4.07Å; F391-L395 WeakPolarHBondContact O-CG 3.2Å; F391-L395 PolarHBondContact O-N 3.32Å |
| 392 | V | 91.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 170.6 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | I350 A388 S389 A394 L395 C396 V403 F407 V438 | I350-V392 HydrophobicContact CD1-CG2 4.03Å; I350-V392 HydrophobicContact CG2-CG2 3.58Å; A388-V392 PolarHBondContact O-N 2.98Å; S389-V392 WeakPolarHBondContact O-CB 3.48Å; S389-V392 PolarHBondContact O-N 3.17Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.32Å; V392-L395 PolarHBondContact O-N 3.27Å; V392-C396 WeakPolarHBondContact O-CB 3.44Å; V392-C396 PolarHBondContact O-N 3.44Å; V392-C396 PolarHBondContact O-SG 2.89Å; V392-V403 HydrophobicContact CG1-CG1 4.06Å; V392-F407 HydrophobicContact CG1-CE2 4.31Å; V392-F407 HydrophobicContact CG2-CE1 4.38Å; V392-F407 HydrophobicContact CG2-CE2 4.12Å; V392-F407 HydrophobicContact CG2-CZ 3.68Å; V392-V438 HydrophobicContact CB-CG1 3.93Å; V392-V438 HydrophobicContact CG1-CG1 4.06Å; V392-V438 HydrophobicContact CG2-CG1 4.09Å |
| 393 | K | 88.8 | Confident | 89.4 | Confident | 68 Ų | 68 | 37.1 Ų | 37.1 | 30% | 0.296 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 178.9 | -62.8 | 173.5 | -169.1 | 155.5 | 0 | 111.5 | S389 D390 F391 C396 K397 | S389-K393 PolarHBondContact O-N 3.14Å; D390-K393 WeakPolarHBondContact O-CB 3.41Å; D390-K393 PolarHBondContact O-N 3.41Å; D390-K393 IonicContact OD1-NZ 2.95Å; D390-K393 PolarHBondContact OD1-NZ 2.95Å; F391-K393 VanDerWaalsContact C-N 3.31Å; F391-K393 PolarHBondContact O-N 3.1Å; K393-C396 PolarHBondContact O-N 3.43Å; K393-K397 PolarHBondContact O-N 3.37Å |
| 394 | A | 90.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 5% | 0.05 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C327 V328 D390 F391 V392 K397 | C327-A394 HydrophobicContact CB-CB 4.43Å; V328-A394 HydrophobicContact CG2-CB 3.7Å; D390-A394 PolarHBondContact O-N 3.39Å; F391-A394 HydrophobicContact CD2-CB 4.28Å; F391-A394 WeakPolarHBondContact O-CB 3.17Å; F391-A394 PolarHBondContact O-N 2.78Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.32Å; A394-K397 VanDerWaalsContact O-CB 3.24Å; A394-K397 WeakPolarHBondContact O-CB 3.42Å; A394-K397 PolarHBondContact O-N 3.42Å |
| 395 | L | 90.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 177.3 | -71 | 172.5 | 0 | 0 | 0 | 112.5 | F336 T345 I350 F391 V392 K397 F398 F399 V403 | F336-L395 HydrophobicContact CD1-CD2 4.18Å; F336-L395 HydrophobicContact CE1-CD2 4.19Å; T345-L395 HydrophobicContact CG2-CD1 3.93Å; I350-L395 HydrophobicContact CD1-CD1 3.55Å; F391-L395 HydrophobicContact CD2-CG 4.23Å; F391-L395 HydrophobicContact CE2-CD1 4.46Å; F391-L395 HydrophobicContact CE2-CD2 4.21Å; F391-L395 HydrophobicContact CE2-CG 4.07Å; F391-L395 WeakPolarHBondContact O-CG 3.2Å; F391-L395 PolarHBondContact O-N 3.32Å; V392-L395 PolarHBondContact O-N 3.27Å; L395-K397 PolarHBondContact O-N 3.31Å; L395-K397 VanDerWaalsContact O-N 3.08Å; L395-F398 PolarHBondContact O-N 3.01Å; L395-F398 VanDerWaalsContact O-N 3.1Å; L395-F399 HydrophobicContact CD2-CD2 4.38Å; L395-F399 PolarHBondContact O-N 3.33Å; L395-V403 HydrophobicContact CB-CG2 3.92Å |
| 396 | C | 88.7 | Confident | 89.8 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 12% | 0.115 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -18.6 | 177.4 | -77.6 | 0 | 0 | 0 | 0 | 113.3 | V392 K393 F398 E400 V403 | V392-C396 WeakPolarHBondContact O-CB 3.44Å; V392-C396 PolarHBondContact O-N 3.44Å; V392-C396 PolarHBondContact O-SG 2.89Å; K393-C396 PolarHBondContact O-N 3.43Å; C396-F398 PolarHBondContact O-N 3.25Å; C396-E400 WeakPolarHBondContact O-CB 3.38Å; C396-V403 VanDerWaalsContact SG-CG1 3.59Å |
| 397 | K | 87.6 | Confident | 90.1 | Very high | 119 Ų | 119 | 37.3 Ų | 37.3 | 52% | 0.517 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.9 | -31.2 | 174.5 | -172.5 | 177 | 172.6 | -172.6 | 0 | 112.9 | V328 K393 A394 L395 | V328-K397 HydrophobicContact CG1-CD 4.28Å; V328-K397 PolarHBondContact O-NZ 3.21Å; K393-K397 PolarHBondContact O-N 3.37Å; A394-K397 VanDerWaalsContact O-CB 3.24Å; A394-K397 WeakPolarHBondContact O-CB 3.42Å; A394-K397 PolarHBondContact O-N 3.42Å; L395-K397 PolarHBondContact O-N 3.31Å; L395-K397 VanDerWaalsContact O-N 3.08Å |
| 398 | F | 87.6 | Confident | 90.1 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 33% | 0.329 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -125 | -24.7 | -175.4 | -60.4 | -74.2 | 0 | 0 | 0 | 114.4 | C327 S330 L333 L395 C396 | C327-F398 WeakPolarHBondContact O-CE2 3.41Å; S330-F398 WeakPolarHBondContact OG-CE1 3.48Å; S330-F398 WeakPolarHBondContact OG-CZ 3.39Å; L333-F398 HydrophobicContact CD2-CB 4.18Å; L333-F398 HydrophobicContact CD2-CD1 4.17Å; L333-F398 HydrophobicContact CD2-CD2 3.99Å; L333-F398 HydrophobicContact CD2-CE2 4.46Å; L333-F398 HydrophobicContact CD2-CG 3.84Å; L395-F398 PolarHBondContact O-N 3.01Å; L395-F398 VanDerWaalsContact O-N 3.1Å; C396-F398 PolarHBondContact O-N 3.25Å |
| 399 | F | 88.8 | Confident | 90.1 | Very high | 17 Ų | 17 | 46.5 Ų | 46.5 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -124.5 | 35.9 | -173 | -52.7 | -73.4 | 0 | 0 | 0 | 111.4 | L333 F336 K337 V342 L395 N401 E402 V403 | L333-F399 HydrophobicContact CD2-CE2 4.4Å; L333-F399 HydrophobicContact CD2-CZ 4.24Å; F336-F399 HydrophobicContact CB-CE2 3.61Å; F336-F399 HydrophobicContact CB-CZ 3.57Å; F336-F399 HydrophobicContact CG-CE2 4.3Å; K337-F399 HydrophobicContact CG-CE1 3.98Å; K337-F399 HydrophobicContact CG-CZ 4.32Å; V342-F399 HydrophobicContact CG1-CB 4.33Å; V342-F399 HydrophobicContact CG2-CB 4.27Å; V342-F399 HydrophobicContact CG2-CD1 4.01Å; V342-F399 HydrophobicContact CG2-CD2 4.14Å; V342-F399 HydrophobicContact CG2-CE1 4.39Å; V342-F399 HydrophobicContact CG2-CG 3.87Å; L395-F399 HydrophobicContact CD2-CD2 4.38Å; L395-F399 PolarHBondContact O-N 3.33Å; F399-N401 PolarHBondContact O-N 2.63Å; F399-E402 PolarHBondContact O-N 2.8Å; F399-V403 HydrophobicContact CB-CG2 4.12Å; F399-V403 VanDerWaalsContact O-CB 3.32Å; F399-V403 WeakPolarHBondContact O-CB 3.39Å; F399-V403 WeakPolarHBondContact O-CG2 3.38Å; F399-V403 PolarHBondContact O-N 3.01Å |
| 400 | E | 87.7 | Confident | 90.3 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.3 | -50.3 | -171.4 | -173.9 | 168.1 | -164.6 | 0 | 0 | 112.7 | C396 V403 I404 R442 | C396-E400 WeakPolarHBondContact O-CB 3.38Å; E400-V403 PolarHBondContact O-N 3.48Å; E400-I404 HydrophobicContact CG-CD1 3.6Å; E400-I404 HydrophobicContact CG-CG1 4.21Å; E400-I404 WeakPolarHBondContact O-CB 3.42Å; E400-I404 WeakPolarHBondContact O-CG1 3.37Å; E400-I404 PolarHBondContact O-N 3.41Å; E400-R442 IonicContact OE1-CZ 3.19Å; E400-R442 IonicContact OE1-NE 3.06Å; E400-R442 PolarHBondContact OE1-NE 2.86Å; E400-R442 IonicContact OE1-NH2 2.72Å; E400-R442 PolarHBondContact OE1-NH2 2.9Å |
| 401 | N | 89.3 | Confident | 90.5 | Very high | 117 Ų | 117 | 47.3 Ų | 47.3 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66.3 | -44.4 | -174.9 | -68.1 | -37.3 | 0 | 0 | 0 | 111.9 | F399 S405 | F399-N401 PolarHBondContact O-N 2.63Å; N401-S405 VanDerWaalsContact O-CB 3.3Å; N401-S405 WeakPolarHBondContact O-CB 3.41Å; N401-S405 PolarHBondContact O-N 2.75Å |
| 402 | E | 89.9 | Confident | 90.6 | Very high | 102 Ų | 102 | 50 Ų | 50 | 48% | 0.477 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 177.6 | -65.2 | 82.6 | 175.5 | 0 | 0 | 110.6 | V342 F399 S405 I406 | V342-E402 HydrophobicContact CG1-CB 4.45Å; F399-E402 PolarHBondContact O-N 2.8Å; E402-S405 PolarHBondContact O-N 2.78Å; E402-I406 VanDerWaalsContact O-CD1 3.32Å; E402-I406 WeakPolarHBondContact O-CD1 3.27Å; E402-I406 VanDerWaalsContact O-CG1 3.25Å; E402-I406 WeakPolarHBondContact O-CG1 3.36Å; E402-I406 PolarHBondContact O-N 3.12Å |
| 403 | V | 90.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -51.5 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | V342 V392 L395 C396 F399 E400 S405 I406 F407 | V342-V403 HydrophobicContact CG1-CG2 3.83Å; V392-V403 HydrophobicContact CG1-CG1 4.06Å; L395-V403 HydrophobicContact CB-CG2 3.92Å; C396-V403 VanDerWaalsContact SG-CG1 3.59Å; F399-V403 HydrophobicContact CB-CG2 4.12Å; F399-V403 VanDerWaalsContact O-CB 3.32Å; F399-V403 WeakPolarHBondContact O-CB 3.39Å; F399-V403 WeakPolarHBondContact O-CG2 3.38Å; F399-V403 PolarHBondContact O-N 3.01Å; E400-V403 PolarHBondContact O-N 3.48Å; V403-S405 VanDerWaalsContact C-N 3.27Å; V403-S405 PolarHBondContact O-N 2.92Å; V403-I406 PolarHBondContact O-N 2.81Å; V403-F407 HydrophobicContact CG1-CD2 3.6Å; V403-F407 HydrophobicContact CG1-CE2 3.74Å; V403-F407 VanDerWaalsContact O-CD2 3.3Å; V403-F407 WeakPolarHBondContact O-CD2 3.23Å; V403-F407 PolarHBondContact O-N 2.59Å |
| 404 | I | 89.8 | Confident | 90.9 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55 | -45.5 | 176.6 | -69 | 168.7 | 0 | 0 | 0 | 110.6 | E400 S408 L439 R442 | E400-I404 HydrophobicContact CG-CD1 3.6Å; E400-I404 HydrophobicContact CG-CG1 4.21Å; E400-I404 WeakPolarHBondContact O-CB 3.42Å; E400-I404 WeakPolarHBondContact O-CG1 3.37Å; E400-I404 PolarHBondContact O-N 3.41Å; I404-S408 WeakPolarHBondContact O-CB 3.42Å; I404-S408 PolarHBondContact O-N 3.03Å; I404-S408 PolarHBondContact O-OG 3.42Å; I404-L439 HydrophobicContact CG1-CD1 4.05Å; I404-R442 VanDerWaalsContact CD1-NH2 3.26Å |
| 405 | S | 91.5 | Very high | 91 | Very high | 76 Ų | 76 | 51 Ų | 51 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | -178.7 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | N401 E402 V403 S408 E409 | N401-S405 VanDerWaalsContact O-CB 3.3Å; N401-S405 WeakPolarHBondContact O-CB 3.41Å; N401-S405 PolarHBondContact O-N 2.75Å; E402-S405 PolarHBondContact O-N 2.78Å; V403-S405 VanDerWaalsContact C-N 3.27Å; V403-S405 PolarHBondContact O-N 2.92Å; S405-S408 PolarHBondContact O-N 3.3Å; S405-E409 WeakPolarHBondContact O-CB 3.42Å; S405-E409 PolarHBondContact O-N 3.23Å |
| 406 | I | 92.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 179.7 | -66.1 | 155.9 | 0 | 0 | 0 | 110.9 | V342 K343 C346 L347 E402 V403 Y410 | V342-I406 HydrophobicContact CG1-CD1 4.17Å; K343-I406 HydrophobicContact CB-CD1 3.93Å; K343-I406 HydrophobicContact CG-CD1 4.31Å; K343-I406 HydrophobicContact CG-CG1 4.44Å; C346-I406 HydrophobicContact CB-CG2 3.84Å; L347-I406 HydrophobicContact CD2-CG2 4.41Å; E402-I406 VanDerWaalsContact O-CD1 3.32Å; E402-I406 WeakPolarHBondContact O-CD1 3.27Å; E402-I406 VanDerWaalsContact O-CG1 3.25Å; E402-I406 WeakPolarHBondContact O-CG1 3.36Å; E402-I406 PolarHBondContact O-N 3.12Å; V403-I406 PolarHBondContact O-N 2.81Å; I406-Y410 WeakPolarHBondContact O-CB 3.35Å; I406-Y410 PolarHBondContact O-N 3.26Å; I406-Y410 VanDerWaalsContact O-N 3.09Å |
| 407 | F | 91.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | -179.8 | -82.3 | -86.1 | 0 | 0 | 0 | 111.8 | C346 I350 I351 V392 V403 Y410 I411 L435 L439 | C346-F407 HydrophobicContact CB-CE2 3.93Å; C346-F407 HydrophobicContact CB-CZ 4.29Å; C346-F407 VanDerWaalsContact SG-CE2 3.58Å; I350-F407 HydrophobicContact CB-CZ 4.42Å; I350-F407 HydrophobicContact CG2-CE1 4.34Å; I350-F407 HydrophobicContact CG2-CZ 3.79Å; I351-F407 HydrophobicContact CD1-CD1 4.12Å; I351-F407 HydrophobicContact CD1-CE1 3.84Å; I351-F407 HydrophobicContact CD1-CZ 4.33Å; I351-F407 HydrophobicContact CG1-CD1 4.29Å; I351-F407 HydrophobicContact CG1-CE1 3.61Å; I351-F407 HydrophobicContact CG1-CZ 4.17Å; V392-F407 HydrophobicContact CG1-CE2 4.31Å; V392-F407 HydrophobicContact CG2-CE1 4.38Å; V392-F407 HydrophobicContact CG2-CE2 4.12Å; V392-F407 HydrophobicContact CG2-CZ 3.68Å; V403-F407 HydrophobicContact CG1-CD2 3.6Å; V403-F407 HydrophobicContact CG1-CE2 3.74Å; V403-F407 VanDerWaalsContact O-CD2 3.3Å; V403-F407 WeakPolarHBondContact O-CD2 3.23Å; V403-F407 PolarHBondContact O-N 2.59Å; F407-Y410 PolarHBondContact O-N 3.33Å; F407-I411 HydrophobicContact CB-CD1 4.44Å; F407-I411 WeakPolarHBondContact O-CB 3.34Å; F407-I411 WeakPolarHBondContact O-CD1 3.46Å; F407-I411 WeakPolarHBondContact O-CG1 3.31Å; F407-I411 PolarHBondContact O-N 2.77Å; F407-L435 HydrophobicContact CD1-CD1 4.41Å; F407-L435 HydrophobicContact CD1-CD2 3.8Å; F407-L435 HydrophobicContact CE1-CD2 3.56Å; F407-L439 HydrophobicContact CB-CD1 4.16Å; F407-L439 HydrophobicContact CB-CD2 3.87Å |
| 408 | S | 91.7 | Very high | 91.3 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 178.4 | -60.7 | 0 | 0 | 0 | 0 | 112 | I404 S405 A412 | I404-S408 WeakPolarHBondContact O-CB 3.42Å; I404-S408 PolarHBondContact O-N 3.03Å; I404-S408 PolarHBondContact O-OG 3.42Å; S405-S408 PolarHBondContact O-N 3.3Å; S408-A412 VanDerWaalsContact O-CB 3.29Å; S408-A412 WeakPolarHBondContact O-CB 3.33Å; S408-A412 PolarHBondContact O-N 3.43Å |
| 409 | E | 93.7 | Very high | 91.3 | Very high | 142 Ų | 142 | 55.3 Ų | 55.3 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.6 | -45.1 | 174.4 | -174.1 | -179.8 | -177.1 | 0 | 0 | 111.1 | S405 A412 S413 | S405-E409 WeakPolarHBondContact O-CB 3.42Å; S405-E409 PolarHBondContact O-N 3.23Å; E409-A412 PolarHBondContact O-N 3.27Å; E409-S413 PolarHBondContact O-N 3.15Å |
| 410 | Y | 93.3 | Very high | 91.4 | Very high | 55 Ų | 55 | 60 Ų | 60 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 178.1 | -170.8 | -104.9 | 0 | 0 | 0 | 112.3 | L347 I351 I406 F407 A412 S413 L414 L435 | L347-Y410 HydrophobicContact CD2-CD2 4.47Å; I351-Y410 HydrophobicContact CD1-CD1 3.74Å; I351-Y410 HydrophobicContact CD1-CD2 4.46Å; I351-Y410 HydrophobicContact CD1-CE1 4.15Å; I351-Y410 HydrophobicContact CD1-CG 3.91Å; I351-Y410 HydrophobicContact CG1-CD1 4.29Å; I351-Y410 HydrophobicContact CG1-CE1 4.31Å; I351-Y410 HydrophobicContact CG2-CD1 4.15Å; I351-Y410 HydrophobicContact CG2-CE1 3.4Å; I351-Y410 VanDerWaalsContact CG2-CE1 3.4Å; I351-Y410 HydrophobicContact CG2-CE2 4.18Å; I351-Y410 VanDerWaalsContact CG2-CZ 3.44Å; I351-Y410 WeakPolarHBondContact CG2-OH 3.48Å; I406-Y410 WeakPolarHBondContact O-CB 3.35Å; I406-Y410 PolarHBondContact O-N 3.26Å; I406-Y410 VanDerWaalsContact O-N 3.09Å; F407-Y410 PolarHBondContact O-N 3.33Å; Y410-A412 VanDerWaalsContact C-N 3.34Å; Y410-A412 PolarHBondContact O-N 3.34Å; Y410-S413 WeakPolarHBondContact O-CB 3.34Å; Y410-S413 PolarHBondContact O-N 3.42Å; Y410-S413 VanDerWaalsContact O-N 3.14Å; Y410-S413 PolarHBondContact O-OG 3.47Å; Y410-L414 HydrophobicContact CD1-CD1 3.83Å; Y410-L414 HydrophobicContact CD1-CG 4.25Å; Y410-L414 HydrophobicContact CE1-CD1 3.49Å; Y410-L414 VanDerWaalsContact CE1-CD1 3.49Å; Y410-L414 HydrophobicContact CE1-CD2 4.27Å; Y410-L414 HydrophobicContact CE1-CG 3.98Å; Y410-L414 WeakPolarHBondContact O-CG 3.39Å; Y410-L414 PolarHBondContact O-N 3.37Å; Y410-L435 HydrophobicContact CD1-CD1 3.55Å; Y410-L435 HydrophobicContact CE1-CD1 3.77Å |
| 411 | I | 92.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 175.9 | -70.7 | 161.6 | 0 | 0 | 0 | 110.3 | F407 S413 L414 L415 A432 L435 V436 L439 | F407-I411 HydrophobicContact CB-CD1 4.44Å; F407-I411 WeakPolarHBondContact O-CB 3.34Å; F407-I411 WeakPolarHBondContact O-CD1 3.46Å; F407-I411 WeakPolarHBondContact O-CG1 3.31Å; F407-I411 PolarHBondContact O-N 2.77Å; I411-S413 VanDerWaalsContact C-N 3.26Å; I411-S413 PolarHBondContact O-N 2.69Å; I411-L414 PolarHBondContact O-N 3.03Å; I411-L415 HydrophobicContact CG2-CD1 3.7Å; I411-L415 HydrophobicContact CG2-CG 4.15Å; I411-L415 WeakPolarHBondContact O-CB 3.48Å; I411-L415 WeakPolarHBondContact O-CG 3.36Å; I411-L415 PolarHBondContact O-N 3.04Å; I411-A432 HydrophobicContact CG2-CB 4.45Å; I411-L435 HydrophobicContact CD1-CB 3.9Å; I411-L435 HydrophobicContact CG1-CB 3.81Å; I411-L435 HydrophobicContact CG1-CD1 4.19Å; I411-V436 HydrophobicContact CD1-CG2 3.97Å; I411-V436 HydrophobicContact CG1-CG2 4.48Å; I411-V436 HydrophobicContact CG2-CG2 3.85Å; I411-L439 HydrophobicContact CD1-CD2 4.15Å |
| 412 | A | 93.7 | Very high | 90.9 | Very high | 58 Ų | 58 | 58 Ų | 58 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S408 E409 Y410 K416 | S408-A412 VanDerWaalsContact O-CB 3.29Å; S408-A412 WeakPolarHBondContact O-CB 3.33Å; S408-A412 PolarHBondContact O-N 3.43Å; E409-A412 PolarHBondContact O-N 3.27Å; Y410-A412 VanDerWaalsContact C-N 3.34Å; Y410-A412 PolarHBondContact O-N 3.34Å; A412-K416 VanDerWaalsContact O-CB 3.26Å; A412-K416 WeakPolarHBondContact O-CB 3.48Å; A412-K416 PolarHBondContact O-N 3.36Å |
| 413 | S | 94.5 | Very high | 90.3 | Very high | 62 Ų | 62 | 56.3 Ų | 56.3 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.9 | 82 | 0 | 0 | 0 | 0 | 112.6 | E409 Y410 I411 S417 | E409-S413 PolarHBondContact O-N 3.15Å; Y410-S413 WeakPolarHBondContact O-CB 3.34Å; Y410-S413 PolarHBondContact O-N 3.42Å; Y410-S413 VanDerWaalsContact O-N 3.14Å; Y410-S413 PolarHBondContact O-OG 3.47Å; I411-S413 VanDerWaalsContact C-N 3.26Å; I411-S413 PolarHBondContact O-N 2.69Å; S413-S417 WeakPolarHBondContact O-CB 3.21Å; S413-S417 PolarHBondContact O-N 2.85Å |
| 414 | L | 93 | Very high | 89.9 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.6 | -47 | 177.1 | -68 | 179 | 0 | 0 | 0 | 111.3 | Y410 I411 K416 S417 Y418 Q428 A431 A432 L435 | Y410-L414 HydrophobicContact CD1-CD1 3.83Å; Y410-L414 HydrophobicContact CD1-CG 4.25Å; Y410-L414 HydrophobicContact CE1-CD1 3.49Å; Y410-L414 VanDerWaalsContact CE1-CD1 3.49Å; Y410-L414 HydrophobicContact CE1-CD2 4.27Å; Y410-L414 HydrophobicContact CE1-CG 3.98Å; Y410-L414 WeakPolarHBondContact O-CG 3.39Å; Y410-L414 PolarHBondContact O-N 3.37Å; I411-L414 PolarHBondContact O-N 3.03Å; L414-K416 PolarHBondContact O-N 3.33Å; L414-S417 WeakPolarHBondContact O-CB 3.48Å; L414-S417 PolarHBondContact O-N 3.37Å; L414-Y418 PolarHBondContact O-N 3.05Å; L414-Q428 HydrophobicContact CB-CB 4.09Å; L414-Q428 HydrophobicContact CD2-CB 3.83Å; L414-Q428 HydrophobicContact CD2-CG 3.64Å; L414-A431 HydrophobicContact CD1-CB 3.82Å; L414-A432 HydrophobicContact CB-CB 4.01Å; L414-A432 HydrophobicContact CD1-CB 4.2Å; L414-L435 HydrophobicContact CD1-CD1 4.19Å |
| 415 | L | 92.3 | Very high | 89.8 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 179.4 | -68.6 | 174.8 | 0 | 0 | 0 | 111.6 | I411 Y418 V419 L429 A432 F462 F466 | I411-L415 HydrophobicContact CG2-CD1 3.7Å; I411-L415 HydrophobicContact CG2-CG 4.15Å; I411-L415 WeakPolarHBondContact O-CB 3.48Å; I411-L415 WeakPolarHBondContact O-CG 3.36Å; I411-L415 PolarHBondContact O-N 3.04Å; L415-Y418 WeakPolarHBondContact O-CB 3.18Å; L415-Y418 PolarHBondContact O-N 3.19Å; L415-V419 WeakPolarHBondContact O-CG2 3.28Å; L415-V419 PolarHBondContact O-N 3.35Å; L415-L429 HydrophobicContact CD2-CD1 3.99Å; L415-A432 HydrophobicContact CD2-CB 3.7Å; L415-A432 HydrophobicContact CG-CB 3.98Å; L415-F462 HydrophobicContact CD1-CE2 4.22Å; L415-F466 HydrophobicContact CB-CE1 4.42Å; L415-F466 HydrophobicContact CD1-CE1 4.44Å; L415-F466 HydrophobicContact CD1-CE2 4.11Å; L415-F466 HydrophobicContact CD1-CZ 3.95Å; L415-F466 HydrophobicContact CD2-CD1 4.15Å; L415-F466 HydrophobicContact CD2-CE1 4.12Å; L415-F466 HydrophobicContact CD2-CG 4.46Å; L415-F466 HydrophobicContact CD2-CZ 4.42Å |
| 416 | K | 93.4 | Very high | 89.5 | Confident | 133 Ų | 133 | 59 Ų | 59 | 58% | 0.578 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.4 | -47.2 | 173.7 | -178.9 | 179.4 | 173.5 | -177 | 0 | 111.3 | A412 L414 Y418 V419 E420 | A412-K416 VanDerWaalsContact O-CB 3.26Å; A412-K416 WeakPolarHBondContact O-CB 3.48Å; A412-K416 PolarHBondContact O-N 3.36Å; L414-K416 PolarHBondContact O-N 3.33Å; K416-Y418 PolarHBondContact O-N 3.36Å; K416-V419 PolarHBondContact O-N 2.92Å; K416-E420 WeakPolarHBondContact CE-OE1 3.25Å; K416-E420 WeakPolarHBondContact O-CG 3.36Å; K416-E420 PolarHBondContact O-N 3.26Å |
| 417 | S | 91 | Very high | 89.3 | Confident | 34 Ų | 34 | 64.2 Ų | 64.2 | 24% | 0.238 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -34.3 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | S413 L414 N421 T425 Q428 | S413-S417 WeakPolarHBondContact O-CB 3.21Å; S413-S417 PolarHBondContact O-N 2.85Å; L414-S417 WeakPolarHBondContact O-CB 3.48Å; L414-S417 PolarHBondContact O-N 3.37Å; S417-N421 PolarHBondContact O-N 3.28Å; S417-T425 PolarHBondContact O-OG1 3.11Å; S417-Q428 PolarHBondContact OG-NE2 3.42Å |
| 418 | Y | 88.3 | Confident | 89.2 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.7 | -52.3 | 172.4 | 177.7 | -107.6 | 0 | 0 | 0 | 112.9 | L414 L415 K416 E420 N421 P422 T425 L429 | L414-Y418 PolarHBondContact O-N 3.05Å; L415-Y418 WeakPolarHBondContact O-CB 3.18Å; L415-Y418 PolarHBondContact O-N 3.19Å; K416-Y418 PolarHBondContact O-N 3.36Å; Y418-E420 PolarHBondContact O-N 3.18Å; Y418-N421 CarbonylContact O-C 3.35Å; Y418-N421 PolarHBondContact O-N 3.26Å; Y418-N421 VanDerWaalsContact O-N 3.08Å; Y418-P422 HydrophobicContact CD2-CB 4.46Å; Y418-P422 HydrophobicContact CE2-CB 3.81Å; Y418-P422 WeakPolarHBondContact CE2-O 2.9Å; Y418-P422 WeakPolarHBondContact O-CA 3.06Å; Y418-P422 VanDerWaalsContact O-CD 3.25Å; Y418-P422 WeakPolarHBondContact O-CD 3.27Å; Y418-P422 WeakPolarHBondContact O-CG 3.42Å; Y418-T425 VanDerWaalsContact CA-OG1 3.25Å; Y418-T425 WeakPolarHBondContact CA-OG1 3.19Å; Y418-L429 HydrophobicContact CD1-CB 4.39Å; Y418-L429 HydrophobicContact CD1-CD1 3.96Å; Y418-L429 HydrophobicContact CD1-CD2 4.17Å; Y418-L429 HydrophobicContact CD1-CG 4.41Å; Y418-L429 HydrophobicContact CD2-CB 3.76Å; Y418-L429 HydrophobicContact CD2-CD2 4.16Å; Y418-L429 HydrophobicContact CD2-CG 4.45Å; Y418-L429 HydrophobicContact CE1-CD1 4.22Å; Y418-L429 HydrophobicContact CE1-CD2 3.76Å; Y418-L429 HydrophobicContact CE1-CG 4.46Å; Y418-L429 HydrophobicContact CE2-CB 4.15Å; Y418-L429 HydrophobicContact CE2-CD2 3.75Å; Y418-L429 HydrophobicContact CG-CB 3.88Å; Y418-L429 HydrophobicContact CG-CD1 4.25Å; Y418-L429 HydrophobicContact CG-CD2 4.35Å; Y418-L429 HydrophobicContact CG-CG 4.39Å |
| 419 | V | 87.5 | Confident | 89 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.5 | -35.6 | -179.7 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | L415 K416 F466 | L415-V419 WeakPolarHBondContact O-CG2 3.28Å; L415-V419 PolarHBondContact O-N 3.35Å; K416-V419 PolarHBondContact O-N 2.92Å; V419-F466 HydrophobicContact CG2-CE1 4.34Å |
| 420 | E | 90.7 | Very high | 88.9 | Confident | 115 Ų | 115 | 57.7 Ų | 57.7 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.1 | -35.2 | 177.2 | -72.4 | 172.8 | 177.9 | 0 | 0 | 113.2 | K416 Y418 | K416-E420 WeakPolarHBondContact CE-OE1 3.25Å; K416-E420 WeakPolarHBondContact O-CG 3.36Å; K416-E420 PolarHBondContact O-N 3.26Å; Y418-E420 PolarHBondContact O-N 3.18Å |
| 421 | N | 87.5 | Confident | 88.7 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | trans | -144.2 | 63.6 | -175.1 | -67.7 | -73.7 | 0 | 0 | 0 | 114.8 | S417 Y418 G423 S424 T425 | S417-N421 PolarHBondContact O-N 3.28Å; Y418-N421 CarbonylContact O-C 3.35Å; Y418-N421 PolarHBondContact O-N 3.26Å; Y418-N421 VanDerWaalsContact O-N 3.08Å; N421-G423 PolarHBondContact O-N 3.3Å; N421-S424 PolarHBondContact O-N 3.42Å; N421-S424 PolarHBondContact O-OG 3.1Å; N421-T425 VanDerWaalsContact C-OG1 3.3Å; N421-T425 HydrophobicContact CB-CG2 4.13Å; N421-T425 PolarHBondContact O-N 2.88Å; N421-T425 VanDerWaalsContact O-N 3.16Å; N421-T425 PolarHBondContact O-OG1 3.32Å | ||
| 422 | P | 79.4 | Confident | 88.7 | Confident | 65 Ų | 65 | 55 Ų | 55 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -33.3 | -167.5 | -28.2 | 34.4 | 0 | 0 | 0 | 115.9 | Y418 | Y418-P422 HydrophobicContact CD2-CB 4.46Å; Y418-P422 HydrophobicContact CE2-CB 3.81Å; Y418-P422 WeakPolarHBondContact CE2-O 2.9Å; Y418-P422 WeakPolarHBondContact O-CA 3.06Å; Y418-P422 VanDerWaalsContact O-CD 3.25Å; Y418-P422 WeakPolarHBondContact O-CD 3.27Å; Y418-P422 WeakPolarHBondContact O-CG 3.42Å |
| 423 | G | 78.4 | Confident | 88.6 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 69% | 0.691 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -29.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N421 | N421-G423 PolarHBondContact O-N 3.3Š|
| 424 | S | 82.4 | Confident | 88.4 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 60% | 0.601 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -20.5 | -177 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | N421 | N421-S424 PolarHBondContact O-N 3.42Å; N421-S424 PolarHBondContact O-OG 3.1Å |
| 425 | T | 86.6 | Confident | 88.3 | Confident | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | trans | -108.6 | 25 | -172.7 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | S417 Y418 N421 R427 Q428 L429 | S417-T425 PolarHBondContact O-OG1 3.11Å; Y418-T425 VanDerWaalsContact CA-OG1 3.25Å; Y418-T425 WeakPolarHBondContact CA-OG1 3.19Å; N421-T425 VanDerWaalsContact C-OG1 3.3Å; N421-T425 HydrophobicContact CB-CG2 4.13Å; N421-T425 PolarHBondContact O-N 2.88Å; N421-T425 VanDerWaalsContact O-N 3.16Å; N421-T425 PolarHBondContact O-OG1 3.32Å; T425-R427 PolarHBondContact O-N 3.09Å; T425-Q428 WeakPolarHBondContact O-CB 3.46Å; T425-Q428 PolarHBondContact O-N 3.35Å; T425-Q428 PolarHBondContact O-OE1 3.19Å; T425-L429 PolarHBondContact O-N 2.88Å | ||
| 426 | W | 85.4 | Confident | 88.3 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -26.6 | 175 | 64 | -97.9 | 0 | 0 | 0 | 113.1 | L356 L361 Q428 L429 N430 I477 L479 | L356-W426 HydrophobicContact CD2-CH2 4.36Å; L356-W426 HydrophobicContact CD2-CZ3 3.9Å; L361-W426 HydrophobicContact CD1-CH2 4.03Å; L361-W426 HydrophobicContact CD2-CH2 3.85Å; L361-W426 HydrophobicContact CD2-CZ3 4.33Å; W426-Q428 VanDerWaalsContact C-N 3.35Å; W426-L429 WeakPolarHBondContact O-CB 2.94Å; W426-L429 PolarHBondContact O-N 3.05Å; W426-N430 PolarHBondContact O-N 3.37Å; W426-I477 HydrophobicContact CB-CD1 3.79Å; W426-I477 VanDerWaalsContact CD1-CD1 3.5Å; W426-I477 HydrophobicContact CD2-CD1 4.38Å; W426-I477 HydrophobicContact CG-CD1 3.62Å; W426-L479 HydrophobicContact CE3-CD2 3.8Å; W426-L479 HydrophobicContact CH2-CD2 4.13Å; W426-L479 HydrophobicContact CZ3-CD2 3.24Å |
| 427 | R | 87.7 | Confident | 88.2 | Confident | 136 Ų | 136 | 43.9 Ų | 43.9 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 173.5 | -70.6 | -175.8 | 180 | -177.5 | -1 | 112 | T425 L429 N430 A431 | T425-R427 PolarHBondContact O-N 3.09Å; R427-L429 VanDerWaalsContact C-N 3.3Å; R427-N430 PolarHBondContact O-N 3.06Å; R427-A431 PolarHBondContact O-N 3.1Å; R427-A431 VanDerWaalsContact O-N 3.07Å |
| 428 | Q | 89.1 | Confident | 88 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 172.7 | -71.4 | 90.6 | -24.1 | 0 | 0 | 110.8 | L414 S417 T425 W426 A431 A432 | L414-Q428 HydrophobicContact CB-CB 4.09Å; L414-Q428 HydrophobicContact CD2-CB 3.83Å; L414-Q428 HydrophobicContact CD2-CG 3.64Å; S417-Q428 PolarHBondContact OG-NE2 3.42Å; T425-Q428 WeakPolarHBondContact O-CB 3.46Å; T425-Q428 PolarHBondContact O-N 3.35Å; T425-Q428 PolarHBondContact O-OE1 3.19Å; W426-Q428 VanDerWaalsContact C-N 3.35Å; Q428-A431 PolarHBondContact O-N 3.3Å; Q428-A432 WeakPolarHBondContact O-CB 3.41Å; Q428-A432 PolarHBondContact O-N 3.5Å |
| 429 | L | 89.4 | Confident | 88.1 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | 176.1 | -176.6 | 65.6 | 0 | 0 | 0 | 112.1 | L415 Y418 T425 W426 R427 A431 A432 I433 F480 | L415-L429 HydrophobicContact CD2-CD1 3.99Å; Y418-L429 HydrophobicContact CD1-CB 4.39Å; Y418-L429 HydrophobicContact CD1-CD1 3.96Å; Y418-L429 HydrophobicContact CD1-CD2 4.17Å; Y418-L429 HydrophobicContact CD1-CG 4.41Å; Y418-L429 HydrophobicContact CD2-CB 3.76Å; Y418-L429 HydrophobicContact CD2-CD2 4.16Å; Y418-L429 HydrophobicContact CD2-CG 4.45Å; Y418-L429 HydrophobicContact CE1-CD1 4.22Å; Y418-L429 HydrophobicContact CE1-CD2 3.76Å; Y418-L429 HydrophobicContact CE1-CG 4.46Å; Y418-L429 HydrophobicContact CE2-CB 4.15Å; Y418-L429 HydrophobicContact CE2-CD2 3.75Å; Y418-L429 HydrophobicContact CG-CB 3.88Å; Y418-L429 HydrophobicContact CG-CD1 4.25Å; Y418-L429 HydrophobicContact CG-CD2 4.35Å; Y418-L429 HydrophobicContact CG-CG 4.39Å; T425-L429 PolarHBondContact O-N 2.88Å; W426-L429 WeakPolarHBondContact O-CB 2.94Å; W426-L429 PolarHBondContact O-N 3.05Å; R427-L429 VanDerWaalsContact C-N 3.3Å; L429-A431 VanDerWaalsContact C-N 3.34Å; L429-A431 PolarHBondContact O-N 3.14Å; L429-A432 PolarHBondContact O-N 3.17Å; L429-A432 VanDerWaalsContact O-N 3.15Å; L429-I433 HydrophobicContact CD1-CD1 4.11Å; L429-I433 HydrophobicContact CD1-CG1 4.23Å; L429-I433 HydrophobicContact CD2-CD1 4.4Å; L429-I433 HydrophobicContact CG-CD1 3.81Å; L429-I433 HydrophobicContact CG-CG1 4.34Å; L429-I433 VanDerWaalsContact O-CG1 3.32Å; L429-I433 WeakPolarHBondContact O-CG1 3.43Å; L429-I433 PolarHBondContact O-N 3.48Å; L429-F480 HydrophobicContact CD2-CD2 3.46Å; L429-F480 VanDerWaalsContact CD2-CD2 3.46Å; L429-F480 HydrophobicContact CD2-CE2 3.36Å; L429-F480 HydrophobicContact CD2-CG 4.16Å; L429-F480 HydrophobicContact CD2-CZ 3.93Å; L429-F480 HydrophobicContact CG-CD2 4.46Å; L429-F480 HydrophobicContact CG-CE2 4.39Å |
| 430 | N | 90.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.1 | -50.4 | 175.2 | 174.5 | -96.4 | 0 | 0 | 0 | 111.3 | W426 R427 A432 I433 F434 D483 | W426-N430 PolarHBondContact O-N 3.37Å; R427-N430 PolarHBondContact O-N 3.06Å; N430-A432 VanDerWaalsContact C-N 3.34Å; N430-A432 PolarHBondContact O-N 2.58Å; N430-I433 PolarHBondContact O-N 2.97Å; N430-F434 PolarHBondContact O-N 2.68Å; N430-D483 WeakPolarHBondContact CB-OD2 3.43Å; N430-D483 PolarHBondContact ND2-OD1 3.28Å; N430-D483 PolarHBondContact ND2-OD2 2.9Å |
| 431 | A | 89.8 | Confident | 88.1 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 12% | 0.116 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L414 R427 Q428 L429 F434 L435 | L414-A431 HydrophobicContact CD1-CB 3.82Å; R427-A431 PolarHBondContact O-N 3.1Å; R427-A431 VanDerWaalsContact O-N 3.07Å; Q428-A431 PolarHBondContact O-N 3.3Å; L429-A431 VanDerWaalsContact C-N 3.34Å; L429-A431 PolarHBondContact O-N 3.14Å; A431-F434 PolarHBondContact O-N 3.11Å; A431-L435 WeakPolarHBondContact O-CB 3.39Å; A431-L435 WeakPolarHBondContact O-CG 3.21Å; A431-L435 PolarHBondContact O-N 2.98Å |
| 432 | A | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I411 L414 L415 Q428 L429 N430 F434 L435 V436 | I411-A432 HydrophobicContact CG2-CB 4.45Å; L414-A432 HydrophobicContact CB-CB 4.01Å; L414-A432 HydrophobicContact CD1-CB 4.2Å; L415-A432 HydrophobicContact CD2-CB 3.7Å; L415-A432 HydrophobicContact CG-CB 3.98Å; Q428-A432 WeakPolarHBondContact O-CB 3.41Å; Q428-A432 PolarHBondContact O-N 3.5Å; L429-A432 PolarHBondContact O-N 3.17Å; L429-A432 VanDerWaalsContact O-N 3.15Å; N430-A432 VanDerWaalsContact C-N 3.34Å; N430-A432 PolarHBondContact O-N 2.58Å; A432-F434 PolarHBondContact O-N 3.44Å; A432-L435 PolarHBondContact O-N 3.46Å; A432-V436 WeakPolarHBondContact O-CB 3.35Å; A432-V436 WeakPolarHBondContact O-CG2 3.43Å; A432-V436 PolarHBondContact O-N 3.33Å |
| 433 | I | 91.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 178.6 | -66.7 | 167.8 | 0 | 0 | 0 | 110.4 | L429 N430 V436 I437 F462 L467 F480 D483 Y487 | L429-I433 HydrophobicContact CD1-CD1 4.11Å; L429-I433 HydrophobicContact CD1-CG1 4.23Å; L429-I433 HydrophobicContact CD2-CD1 4.4Å; L429-I433 HydrophobicContact CG-CD1 3.81Å; L429-I433 HydrophobicContact CG-CG1 4.34Å; L429-I433 VanDerWaalsContact O-CG1 3.32Å; L429-I433 WeakPolarHBondContact O-CG1 3.43Å; L429-I433 PolarHBondContact O-N 3.48Å; N430-I433 PolarHBondContact O-N 2.97Å; I433-V436 PolarHBondContact O-N 2.69Å; I433-I437 HydrophobicContact CG2-CD1 4.04Å; I433-I437 WeakPolarHBondContact O-CG1 3.11Å; I433-I437 PolarHBondContact O-N 3.31Å; I433-F462 HydrophobicContact CG1-CE1 4.36Å; I433-F462 HydrophobicContact CG1-CZ 4.37Å; I433-L467 HydrophobicContact CD1-CD2 3.46Å; I433-L467 VanDerWaalsContact CD1-CD2 3.46Å; I433-L467 HydrophobicContact CG1-CD2 3.95Å; I433-F480 HydrophobicContact CD1-CD2 4.42Å; I433-F480 HydrophobicContact CD1-CE2 4.35Å; I433-D483 HydrophobicContact CD1-CB 3.75Å; I433-D483 HydrophobicContact CG2-CB 4.39Å; I433-Y487 HydrophobicContact CG2-CD2 4.47Å |
| 434 | F | 89.9 | Confident | 88.5 | Confident | 22 Ų | 22 | 30.3 Ų | 30.3 | 10% | 0.096 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 179.1 | -174.2 | -116.8 | 0 | 0 | 0 | 111.9 | M354 R385 N430 A431 A432 V436 I437 V438 | M354-F434 HydrophobicContact CB-CD1 4.19Å; M354-F434 HydrophobicContact CB-CE1 4.04Å; M354-F434 HydrophobicContact CE-CD1 3.5Å; M354-F434 VanDerWaalsContact CE-CD1 3.5Å; M354-F434 HydrophobicContact CE-CE1 3.12Å; M354-F434 HydrophobicContact CE-CZ 3.98Å; M354-F434 HydrophobicContact CG-CE1 3.96Å; M354-F434 HydrophobicContact SD-CE1 4.35Å; R385-F434 HydrophobicContact CB-CE1 3.98Å; R385-F434 HydrophobicContact CB-CZ 3.8Å; R385-F434 HydrophobicContact CG-CE1 4.3Å; R385-F434 HydrophobicContact CG-CZ 4.49Å; N430-F434 PolarHBondContact O-N 2.68Å; A431-F434 PolarHBondContact O-N 3.11Å; A432-F434 PolarHBondContact O-N 3.44Å; F434-V436 VanDerWaalsContact C-N 3.33Å; F434-V436 PolarHBondContact O-N 3.41Å; F434-I437 PolarHBondContact O-N 3.2Å; F434-V438 HydrophobicContact CE2-CG2 4.5Å; F434-V438 HydrophobicContact CZ-CG2 4.32Å; F434-V438 WeakPolarHBondContact O-CG2 3.47Å; F434-V438 PolarHBondContact O-N 3.4Å; F434-V438 VanDerWaalsContact O-N 3.1Å |
| 435 | L | 91.4 | Very high | 88.5 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.7 | -70.6 | 178.8 | 0 | 0 | 0 | 112.6 | I351 M354 F407 Y410 I411 L414 A431 A432 V438 L439 | I351-L435 HydrophobicContact CG1-CD2 4.45Å; M354-L435 HydrophobicContact CE-CD2 3.66Å; M354-L435 HydrophobicContact SD-CD2 3.66Å; F407-L435 HydrophobicContact CD1-CD1 4.41Å; F407-L435 HydrophobicContact CD1-CD2 3.8Å; F407-L435 HydrophobicContact CE1-CD2 3.56Å; Y410-L435 HydrophobicContact CD1-CD1 3.55Å; Y410-L435 HydrophobicContact CE1-CD1 3.77Å; I411-L435 HydrophobicContact CD1-CB 3.9Å; I411-L435 HydrophobicContact CG1-CB 3.81Å; I411-L435 HydrophobicContact CG1-CD1 4.19Å; L414-L435 HydrophobicContact CD1-CD1 4.19Å; A431-L435 WeakPolarHBondContact O-CB 3.39Å; A431-L435 WeakPolarHBondContact O-CG 3.21Å; A431-L435 PolarHBondContact O-N 2.98Å; A432-L435 PolarHBondContact O-N 3.46Å; L435-V438 PolarHBondContact O-N 2.73Å; L435-L439 VanDerWaalsContact O-CB 3.28Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 PolarHBondContact O-N 3.34Å |
| 436 | V | 92.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 174.7 | 164 | 0 | 0 | 0 | 0 | 111.1 | I411 A432 I433 F434 V438 L439 A440 F457 F462 Y487 | I411-V436 HydrophobicContact CD1-CG2 3.97Å; I411-V436 HydrophobicContact CG1-CG2 4.48Å; I411-V436 HydrophobicContact CG2-CG2 3.85Å; A432-V436 WeakPolarHBondContact O-CB 3.35Å; A432-V436 WeakPolarHBondContact O-CG2 3.43Å; A432-V436 PolarHBondContact O-N 3.33Å; I433-V436 PolarHBondContact O-N 2.69Å; F434-V436 VanDerWaalsContact C-N 3.33Å; F434-V436 PolarHBondContact O-N 3.41Å; V436-V438 VanDerWaalsContact C-N 3.29Å; V436-V438 PolarHBondContact O-N 2.98Å; V436-L439 PolarHBondContact O-N 2.66Å; V436-A440 WeakPolarHBondContact O-CB 3.44Å; V436-A440 PolarHBondContact O-N 3.19Å; V436-F457 HydrophobicContact CG1-CD2 4.37Å; V436-F457 HydrophobicContact CG1-CE1 4.09Å; V436-F457 HydrophobicContact CG1-CE2 3.41Å; V436-F457 VanDerWaalsContact CG1-CE2 3.41Å; V436-F457 HydrophobicContact CG1-CZ 3.23Å; V436-F462 HydrophobicContact CB-CE2 4.49Å; V436-F462 HydrophobicContact CB-CZ 4.25Å; V436-F462 HydrophobicContact CG1-CD1 4.38Å; V436-F462 HydrophobicContact CG1-CD2 4.43Å; V436-F462 HydrophobicContact CG1-CE1 4.21Å; V436-F462 HydrophobicContact CG1-CE2 4.27Å; V436-F462 HydrophobicContact CG1-CG 4.49Å; V436-F462 HydrophobicContact CG1-CZ 4.15Å; V436-F462 HydrophobicContact CG2-CE2 3.83Å; V436-F462 HydrophobicContact CG2-CZ 3.94Å; V436-Y487 HydrophobicContact CG1-CE2 4.17Å |
| 437 | I | 90.8 | Very high | 87.9 | Confident | 17 Ų | 17 | 33.5 Ų | 33.5 | 9% | 0.087 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.5 | -47 | 176.4 | -68.2 | 164.3 | 0 | 0 | 0 | 110.2 | I433 F434 A441 K486 Y487 A490 F491 | I433-I437 HydrophobicContact CG2-CD1 4.04Å; I433-I437 WeakPolarHBondContact O-CG1 3.11Å; I433-I437 PolarHBondContact O-N 3.31Å; F434-I437 PolarHBondContact O-N 3.2Å; I437-A441 VanDerWaalsContact O-CB 3.25Å; I437-A441 WeakPolarHBondContact O-CB 3.25Å; I437-A441 PolarHBondContact O-N 3.18Å; I437-K486 HydrophobicContact CD1-CD 4.33Å; I437-K486 HydrophobicContact CD1-CG 4.29Å; I437-Y487 HydrophobicContact CD1-CD2 4.48Å; I437-Y487 HydrophobicContact CG1-CD2 3.97Å; I437-A490 HydrophobicContact CG1-CB 4.48Å; I437-A490 HydrophobicContact CG2-CB 3.92Å; I437-F491 HydrophobicContact CB-CE2 4.33Å; I437-F491 HydrophobicContact CG1-CE2 3.88Å |
| 438 | V | 88.1 | Confident | 87.8 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | M354 S389 V392 F434 L435 V436 | M354-V438 HydrophobicContact CE-CB 4.16Å; M354-V438 HydrophobicContact CE-CG1 4.26Å; M354-V438 HydrophobicContact CE-CG2 3.66Å; S389-V438 VanDerWaalsContact OG-CG1 3.3Å; S389-V438 WeakPolarHBondContact OG-CG1 3.24Å; S389-V438 WeakPolarHBondContact OG-CG2 3.48Å; V392-V438 HydrophobicContact CB-CG1 3.93Å; V392-V438 HydrophobicContact CG1-CG1 4.06Å; V392-V438 HydrophobicContact CG2-CG1 4.09Å; F434-V438 HydrophobicContact CE2-CG2 4.5Å; F434-V438 HydrophobicContact CZ-CG2 4.32Å; F434-V438 WeakPolarHBondContact O-CG2 3.47Å; F434-V438 PolarHBondContact O-N 3.4Å; F434-V438 VanDerWaalsContact O-N 3.1Å; L435-V438 PolarHBondContact O-N 2.73Å; V436-V438 VanDerWaalsContact C-N 3.29Å; V436-V438 PolarHBondContact O-N 2.98Å |
| 439 | L | 88.8 | Confident | 87.8 | Confident | 19 Ų | 19 | 27.8 Ų | 27.8 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76 | -37.4 | -175.5 | -170.2 | 68.3 | 0 | 0 | 0 | 112.6 | I404 F407 I411 L435 V436 R442 | I404-L439 HydrophobicContact CG1-CD1 4.05Å; F407-L439 HydrophobicContact CB-CD1 4.16Å; F407-L439 HydrophobicContact CB-CD2 3.87Å; I411-L439 HydrophobicContact CD1-CD2 4.15Å; L435-L439 VanDerWaalsContact O-CB 3.28Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 PolarHBondContact O-N 3.34Å; V436-L439 PolarHBondContact O-N 2.66Å; L439-R442 PolarHBondContact O-NH1 3.37Å |
| 440 | A | 90.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -80.1 | -25.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V436 R442 V453 S454 F457 F491 | V436-A440 WeakPolarHBondContact O-CB 3.44Å; V436-A440 PolarHBondContact O-N 3.19Å; A440-R442 PolarHBondContact O-N 3.49Å; A440-V453 HydrophobicContact CB-CG1 4.42Å; A440-V453 CarbonylContact O-C 3.57Å; A440-V453 WeakPolarHBondContact O-CA 3.43Å; A440-S454 PolarHBondContact O-N 3.36Å; A440-F457 HydrophobicContact CB-CB 4.1Å; A440-F457 HydrophobicContact CB-CD1 3.41Å; A440-F457 VanDerWaalsContact CB-CD1 3.41Å; A440-F457 HydrophobicContact CB-CD2 4.35Å; A440-F457 HydrophobicContact CB-CE1 3.85Å; A440-F457 HydrophobicContact CB-CG 3.68Å; A440-F491 HydrophobicContact CB-CE1 4.22Å; A440-F491 HydrophobicContact CB-CZ 3.86Å |
| 441 | A | 89.1 | Confident | 87.8 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 116 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I437 V450 | I437-A441 VanDerWaalsContact O-CB 3.25Å; I437-A441 WeakPolarHBondContact O-CB 3.25Å; I437-A441 PolarHBondContact O-N 3.18Å; A441-V450 HydrophobicContact CB-CG1 4.24Å; A441-V450 HydrophobicContact CB-CG2 3.69Å |
| 442 | R | 84.7 | Confident | 87.7 | Confident | 79 Ų | 79 | 38.3 Ų | 38.3 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -13.6 | 174.9 | -66.4 | -60.7 | -172.6 | -127.7 | 6.7 | 113.8 | E400 I404 L439 A440 R452 | E400-R442 IonicContact OE1-CZ 3.19Å; E400-R442 IonicContact OE1-NE 3.06Å; E400-R442 PolarHBondContact OE1-NE 2.86Å; E400-R442 IonicContact OE1-NH2 2.72Å; E400-R442 PolarHBondContact OE1-NH2 2.9Å; I404-R442 VanDerWaalsContact CD1-NH2 3.26Å; L439-R442 PolarHBondContact O-NH1 3.37Å; A440-R442 PolarHBondContact O-N 3.49Å; R442-R452 HydrophobicContact CB-CB 4.06Å; R442-R452 PolarHBondContact N-O 3.15Å |
| 443 | G | 83.7 | Confident | 87.6 | Confident | 22 Ų | 22 | 40 Ų | 40 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 142.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V450 T451 R452 | G443-V450 CarbonylContact O-C 3.54Å; G443-V450 WeakPolarHBondContact O-CA 3.28Å; G443-T451 VanDerWaalsContact C-OG1 3.24Å; G443-T451 PolarHBondContact O-N 2.96Å; G443-T451 PolarHBondContact O-OG1 2.74Å; G443-R452 PolarHBondContact N-O 3.17Å; G443-R452 PolarHBondContact O-N 3.24Å |
| 444 | Q | 84.3 | Confident | 87.3 | Confident | 80 Ų | 80 | 40.6 Ų | 40.6 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152.6 | -179.2 | 67.7 | 179.9 | 22.7 | 0 | 0 | 112.4 | G449 | Q444-G449 CarbonylContact C-O 3.55Å; Q444-G449 WeakPolarHBondContact CA-O 3.44Å |
| 445 | T | 82.6 | Confident | 87 | Confident | 65 Ų | 65 | 48.5 Ų | 48.5 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 155.7 | 171.7 | 64.3 | 0 | 0 | 0 | 0 | 110.4 | K447 F448 G449 T451 | T445-K447 VanDerWaalsContact C-N 3.28Å; T445-K447 PolarHBondContact O-N 3Å; T445-F448 WeakPolarHBondContact OG1-CB 3.46Å; T445-F448 PolarHBondContact OG1-N 3.4Å; T445-G449 PolarHBondContact N-O 3.33Å; T445-G449 VanDerWaalsContact O-CA 3.3Å; T445-G449 WeakPolarHBondContact O-CA 3.17Å; T445-G449 PolarHBondContact O-N 3.37Å; T445-T451 HydrophobicContact CG2-CG2 4.21Å |
| 446 | S | 79.1 | Confident | 86.4 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 53% | 0.531 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -39.3 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | R492 Q901 | S446-R492 PolarHBondContact O-NH2 2.92Å; S446-Q901 PolarHBondContact OG-OE1 3.07Å |
| 447 | K | 80.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 58 Ų | 58 | 35% | 0.352 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -47.2 | -178.4 | -170.1 | 172.4 | -179.4 | 177.7 | 0 | 113.1 | T445 R492 V531 | T445-K447 VanDerWaalsContact C-N 3.28Å; T445-K447 PolarHBondContact O-N 3Å; K447-R492 PolarHBondContact O-NH2 3.37Å; K447-V531 HydrophobicContact CG-CG1 4.37Å |
| 448 | F | 84.6 | Confident | 86.4 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -5.8 | -171.6 | -58.7 | -70.4 | 0 | 0 | 0 | 115.3 | T445 T451 N493 L532 | T445-F448 WeakPolarHBondContact OG1-CB 3.46Å; T445-F448 PolarHBondContact OG1-N 3.4Å; F448-T451 HydrophobicContact CB-CG2 4.02Å; F448-N493 WeakPolarHBondContact O-CB 3.49Å; F448-L532 HydrophobicContact CD1-CD2 4.09Å |
| 449 | G | 88.9 | Confident | 86.7 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.1 | -142.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q444 T445 T451 R492 | Q444-G449 CarbonylContact C-O 3.55Å; Q444-G449 WeakPolarHBondContact CA-O 3.44Å; T445-G449 PolarHBondContact N-O 3.33Å; T445-G449 VanDerWaalsContact O-CA 3.3Å; T445-G449 WeakPolarHBondContact O-CA 3.17Å; T445-G449 PolarHBondContact O-N 3.37Å; G449-T451 PolarHBondContact O-N 2.72Å; G449-R492 VanDerWaalsContact CA-CZ 3.49Å |
| 450 | V | 90.3 | Very high | 87 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 120.5 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | A441 G443 R452 V453 A490 F491 Q494 | A441-V450 HydrophobicContact CB-CG1 4.24Å; A441-V450 HydrophobicContact CB-CG2 3.69Å; G443-V450 CarbonylContact O-C 3.54Å; G443-V450 WeakPolarHBondContact O-CA 3.28Å; V450-R452 WeakPolarHBondContact CG1-O 3.26Å; V450-V453 HydrophobicContact CG1-CG2 3.9Å; V450-A490 WeakPolarHBondContact CG2-O 3.32Å; V450-A490 PolarHBondContact N-O 3.22Å; V450-F491 HydrophobicContact CB-CD1 3.83Å; V450-F491 HydrophobicContact CB-CE1 4.04Å; V450-F491 HydrophobicContact CG1-CD1 3.98Å; V450-F491 HydrophobicContact CG1-CE1 3.88Å; V450-F491 HydrophobicContact CG2-CD1 3.88Å; V450-F491 HydrophobicContact CG2-CE1 3.77Å; V450-F491 HydrophobicContact CG2-CZ 4.33Å; V450-Q494 HydrophobicContact CB-CG 4.41Å; V450-Q494 HydrophobicContact CG1-CG 4.28Å; V450-Q494 VanDerWaalsContact O-CG 3.29Å; V450-Q494 WeakPolarHBondContact O-CG 3.24Å; V450-Q494 PolarHBondContact O-NE2 2.59Å |
| 451 | T | 89.8 | Confident | 87.3 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -22.2 | 178.4 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | G443 T445 F448 G449 Q494 | G443-T451 VanDerWaalsContact C-OG1 3.24Å; G443-T451 PolarHBondContact O-N 2.96Å; G443-T451 PolarHBondContact O-OG1 2.74Å; T445-T451 HydrophobicContact CG2-CG2 4.21Å; F448-T451 HydrophobicContact CB-CG2 4.02Å; G449-T451 PolarHBondContact O-N 2.72Å; T451-Q494 VanDerWaalsContact C-NE2 3.34Å; T451-Q494 PolarHBondContact O-NE2 3.35Å |
| 452 | R | 88.3 | Confident | 87.5 | Confident | 184 Ų | 184 | 65.7 Ų | 65.7 | 69% | 0.694 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.6 | 174.4 | -63.4 | -176 | -173 | 179.1 | 2.3 | 110.4 | R442 G443 V450 | R442-R452 HydrophobicContact CB-CB 4.06Å; R442-R452 PolarHBondContact N-O 3.15Å; G443-R452 PolarHBondContact N-O 3.17Å; G443-R452 PolarHBondContact O-N 3.24Å; V450-R452 WeakPolarHBondContact CG1-O 3.26Å |
| 453 | V | 90.3 | Very high | 88 | Confident | 35 Ų | 35 | 62.2 Ų | 62.2 | 21% | 0.212 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 148.8 | 178.2 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | A440 V450 F457 V459 F491 Q494 | A440-V453 HydrophobicContact CB-CG1 4.42Å; A440-V453 CarbonylContact O-C 3.57Å; A440-V453 WeakPolarHBondContact O-CA 3.43Å; V450-V453 HydrophobicContact CG1-CG2 3.9Å; V453-F457 HydrophobicContact CG1-CB 4.42Å; V453-F457 HydrophobicContact CG1-CD1 3.97Å; V453-V459 HydrophobicContact CG1-CG2 4.02Å; V453-V459 HydrophobicContact CG2-CG2 4.03Å; V453-F491 HydrophobicContact CG2-CD1 4.24Å; V453-F491 HydrophobicContact CG2-CE1 4.27Å; V453-Q494 HydrophobicContact CG2-CB 3.93Å; V453-Q494 HydrophobicContact CG2-CG 3.56Å |
| 454 | S | 86.3 | Confident | 88.5 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | trans | -59.5 | 136.1 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | A440 F456 F457 | A440-S454 PolarHBondContact O-N 3.36Å; S454-F456 PolarHBondContact O-N 3.24Å; S454-F456 VanDerWaalsContact O-N 3.13Å; S454-F457 PolarHBondContact O-N 2.95Å; S454-F457 VanDerWaalsContact O-N 3.1Å | ||
| 455 | E | 83 | Confident | 88.9 | Confident | 187 Ų | 187 | 64.6 Ų | 64.6 | 87% | 0.874 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.9 | -179.3 | -62.3 | -176.3 | 172.4 | 0 | 0 | 113.4 | F457 | E455-F457 VanDerWaalsContact C-N 3.29Å; E455-F457 PolarHBondContact O-N 3.31Å |
| 456 | F | 78.6 | Confident | 89.2 | Confident | 165 Ų | 165 | 63.6 Ų | 63.6 | 72% | 0.724 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.6 | -179.2 | -54.2 | -72.4 | 0 | 0 | 0 | 113.6 | S454 | S454-F456 PolarHBondContact O-N 3.24Å; S454-F456 VanDerWaalsContact O-N 3.13Å |
| 457 | F | 88.5 | Confident | 89.8 | Confident | 48 Ų | 48 | 60 Ų | 60 | 21% | 0.211 | 30% | 0.303 | C | S | . | . | trans | -127.7 | 125.9 | -172.7 | -174.7 | -98.9 | 0 | 0 | 0 | 112.1 | V436 A440 V453 S454 E455 V459 F462 Y487 | V436-F457 HydrophobicContact CG1-CD2 4.37Å; V436-F457 HydrophobicContact CG1-CE1 4.09Å; V436-F457 HydrophobicContact CG1-CE2 3.41Å; V436-F457 VanDerWaalsContact CG1-CE2 3.41Å; V436-F457 HydrophobicContact CG1-CZ 3.23Å; A440-F457 HydrophobicContact CB-CB 4.1Å; A440-F457 HydrophobicContact CB-CD1 3.41Å; A440-F457 VanDerWaalsContact CB-CD1 3.41Å; A440-F457 HydrophobicContact CB-CD2 4.35Å; A440-F457 HydrophobicContact CB-CE1 3.85Å; A440-F457 HydrophobicContact CB-CG 3.68Å; V453-F457 HydrophobicContact CG1-CB 4.42Å; V453-F457 HydrophobicContact CG1-CD1 3.97Å; S454-F457 PolarHBondContact O-N 2.95Å; S454-F457 VanDerWaalsContact O-N 3.1Å; E455-F457 VanDerWaalsContact C-N 3.29Å; E455-F457 PolarHBondContact O-N 3.31Å; F457-V459 HydrophobicContact CD1-CG2 4.21Å; F457-V459 HydrophobicContact CE1-CG2 4.06Å; F457-F462 HydrophobicContact CE1-CB 4.45Å; F457-F462 HydrophobicContact CE2-CB 3.89Å; F457-F462 AromaticContact CE2-CD2 3.89Å; F457-F462 HydrophobicContact CE2-CD2 3.89Å; F457-F462 AromaticContact CE2-CG 3.95Å; F457-F462 HydrophobicContact CE2-CG 3.95Å; F457-F462 HydrophobicContact CZ-CB 3.51Å; F457-F462 HydrophobicContact CZ-CD1 4.2Å; F457-F462 HydrophobicContact CZ-CD2 4.09Å; F457-F462 AromaticContact CZ-CG 3.67Å; F457-F462 HydrophobicContact CZ-CG 3.67Å; F457-Y487 HydrophobicContact CE1-CE2 4.49Å; F457-Y487 WeakPolarHBondContact CE1-OH 3.37Å; F457-Y487 HydrophobicContact CZ-CE2 4.26Å; F457-Y487 WeakPolarHBondContact CZ-OH 2.78Å | ||
| 458 | S | 94.2 | Very high | 90.4 | Very high | 51 Ų | 51 | 58.9 Ų | 58.9 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | trans | -100.3 | 113.1 | 173.4 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | D460 D461 F462 | S458-D460 VanDerWaalsContact C-N 3.31Å; S458-D460 PolarHBondContact O-N 3.03Å; S458-D461 WeakPolarHBondContact CB-OD2 3.44Å; S458-D461 WeakPolarHBondContact OG-CB 3.16Å; S458-D461 PolarHBondContact OG-N 3.48Å; S458-D461 PolarHBondContact OG-OD2 3.46Å; S458-F462 PolarHBondContact O-N 2.91Å | ||
| 459 | V | 94.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | V453 F457 Y463 Y487 F491 Q494 | V453-V459 HydrophobicContact CG1-CG2 4.02Å; V453-V459 HydrophobicContact CG2-CG2 4.03Å; F457-V459 HydrophobicContact CD1-CG2 4.21Å; F457-V459 HydrophobicContact CE1-CG2 4.06Å; V459-Y463 WeakPolarHBondContact O-CB 3.49Å; V459-Y463 PolarHBondContact O-N 3.19Å; V459-Y463 VanDerWaalsContact O-N 3.13Å; V459-Y487 VanDerWaalsContact CA-OH 3.25Å; V459-Y487 WeakPolarHBondContact CA-OH 3.47Å; V459-Y487 HydrophobicContact CG1-CE1 4.02Å; V459-Y487 PolarHBondContact O-OH 3.3Å; V459-F491 HydrophobicContact CG1-CB 3.66Å; V459-F491 HydrophobicContact CG1-CD1 4.45Å; V459-F491 HydrophobicContact CG1-CG 4.02Å; V459-F491 HydrophobicContact CG2-CB 4.42Å; V459-F491 HydrophobicContact CG2-CD1 3.72Å; V459-F491 HydrophobicContact CG2-CE1 4.2Å; V459-F491 HydrophobicContact CG2-CG 4.11Å; V459-Q494 HydrophobicContact CG2-CB 4.22Å |
| 460 | D | 96 | Very high | 90.2 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.7 | -40.4 | -174.7 | -69.9 | -10.3 | 0 | 0 | 0 | 111.5 | S458 Y463 A464 S496 I499 | S458-D460 VanDerWaalsContact C-N 3.31Å; S458-D460 PolarHBondContact O-N 3.03Å; D460-Y463 PolarHBondContact O-N 2.9Å; D460-A464 VanDerWaalsContact O-CB 3.31Å; D460-A464 WeakPolarHBondContact O-CB 3.34Å; D460-A464 PolarHBondContact O-N 3.2Å; D460-S496 PolarHBondContact OD1-N 3.28Å; D460-S496 VanDerWaalsContact OD1-N 3.11Å; D460-S496 WeakPolarHBondContact OD2-CB 3.46Å; D460-S496 PolarHBondContact OD2-OG 3.28Å; D460-I499 HydrophobicContact CB-CD1 3.68Å; D460-I499 VanDerWaalsContact CG-CD1 3.45Å; D460-I499 WeakPolarHBondContact OD1-CD1 3.48Å |
| 461 | D | 95.3 | Very high | 90 | Very high | 104 Ų | 104 | 59.7 Ų | 59.7 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 178.8 | -66.1 | -35.9 | 0 | 0 | 0 | 111.3 | S458 A464 T465 | S458-D461 WeakPolarHBondContact CB-OD2 3.44Å; S458-D461 WeakPolarHBondContact OG-CB 3.16Å; S458-D461 PolarHBondContact OG-N 3.48Å; S458-D461 PolarHBondContact OG-OD2 3.46Å; D461-A464 PolarHBondContact O-N 3.34Å; D461-T465 WeakPolarHBondContact O-CB 3.46Å; D461-T465 PolarHBondContact O-N 2.9Å; D461-T465 PolarHBondContact O-OG1 3.23Å |
| 462 | F | 94.6 | Very high | 89.8 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.2 | -173.4 | -91.8 | 0 | 0 | 0 | 111.4 | L415 I433 V436 F457 S458 T465 F466 L467 Y487 | L415-F462 HydrophobicContact CD1-CE2 4.22Å; I433-F462 HydrophobicContact CG1-CE1 4.36Å; I433-F462 HydrophobicContact CG1-CZ 4.37Å; V436-F462 HydrophobicContact CB-CE2 4.49Å; V436-F462 HydrophobicContact CB-CZ 4.25Å; V436-F462 HydrophobicContact CG1-CD1 4.38Å; V436-F462 HydrophobicContact CG1-CD2 4.43Å; V436-F462 HydrophobicContact CG1-CE1 4.21Å; V436-F462 HydrophobicContact CG1-CE2 4.27Å; V436-F462 HydrophobicContact CG1-CG 4.49Å; V436-F462 HydrophobicContact CG1-CZ 4.15Å; V436-F462 HydrophobicContact CG2-CE2 3.83Å; V436-F462 HydrophobicContact CG2-CZ 3.94Å; F457-F462 HydrophobicContact CE1-CB 4.45Å; F457-F462 HydrophobicContact CE2-CB 3.89Å; F457-F462 AromaticContact CE2-CD2 3.89Å; F457-F462 HydrophobicContact CE2-CD2 3.89Å; F457-F462 AromaticContact CE2-CG 3.95Å; F457-F462 HydrophobicContact CE2-CG 3.95Å; F457-F462 HydrophobicContact CZ-CB 3.51Å; F457-F462 HydrophobicContact CZ-CD1 4.2Å; F457-F462 HydrophobicContact CZ-CD2 4.09Å; F457-F462 AromaticContact CZ-CG 3.67Å; F457-F462 HydrophobicContact CZ-CG 3.67Å; S458-F462 PolarHBondContact O-N 2.91Å; F462-T465 PolarHBondContact O-N 3.44Å; F462-F466 AromaticContact CD2-CD2 3.66Å; F462-F466 HydrophobicContact CD2-CD2 3.66Å; F462-F466 HydrophobicContact CD2-CE2 4.08Å; F462-F466 AromaticContact CE2-CD2 3.67Å; F462-F466 HydrophobicContact CE2-CD2 3.67Å; F462-F466 HydrophobicContact CE2-CE2 4.12Å; F462-F466 HydrophobicContact CE2-CG 4.43Å; F462-F466 HydrophobicContact CG-CD2 4.24Å; F462-F466 HydrophobicContact CZ-CD2 4.26Å; F462-F466 PolarHBondContact O-N 2.85Å; F462-L467 HydrophobicContact CD1-CD1 4.1Å; F462-L467 HydrophobicContact CD1-CG 4.36Å; F462-L467 HydrophobicContact CE1-CD1 4.07Å; F462-L467 HydrophobicContact CE1-CD2 4.36Å; F462-L467 HydrophobicContact CE1-CG 4.2Å; F462-Y487 HydrophobicContact CD1-CD2 4.22Å; F462-Y487 HydrophobicContact CD1-CE1 4.5Å; F462-Y487 AromaticContact CD1-CE2 3.54Å; F462-Y487 HydrophobicContact CD1-CE2 3.54Å; F462-Y487 AromaticContact CD1-CZ 3.7Å; F462-Y487 HydrophobicContact CE1-CD2 4.23Å; F462-Y487 AromaticContact CE1-CE2 3.94Å; F462-Y487 HydrophobicContact CE1-CE2 3.94Å; F462-Y487 HydrophobicContact CG-CE2 4.47Å |
| 463 | Y | 95.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -59.4 | -51.2 | 174.4 | 170.5 | -97.6 | 0 | 0 | 0 | 111.8 | V459 D460 T465 L467 K468 L471 L488 I499 | V459-Y463 WeakPolarHBondContact O-CB 3.49Å; V459-Y463 PolarHBondContact O-N 3.19Å; V459-Y463 VanDerWaalsContact O-N 3.13Å; D460-Y463 PolarHBondContact O-N 2.9Å; Y463-T465 VanDerWaalsContact C-N 3.3Å; Y463-T465 PolarHBondContact O-N 3.43Å; Y463-L467 HydrophobicContact CD2-CB 3.83Å; Y463-L467 HydrophobicContact CD2-CD1 4.34Å; Y463-L467 HydrophobicContact CE2-CB 4.32Å; Y463-L467 PolarHBondContact O-N 2.85Å; Y463-K468 HydrophobicContact CD1-CB 4.5Å; Y463-K468 HydrophobicContact CE1-CB 4Å; Y463-K468 HydrophobicContact CE1-CD 4.46Å; Y463-K468 HydrophobicContact CE1-CG 4.26Å; Y463-K468 PolarHBondContact O-N 3.25Å; Y463-L471 HydrophobicContact CE2-CD1 3.94Å; Y463-L488 HydrophobicContact CD2-CD2 3.9Å; Y463-L488 HydrophobicContact CD2-CG 4.36Å; Y463-L488 HydrophobicContact CE2-CD1 4Å; Y463-L488 HydrophobicContact CE2-CD2 4.02Å; Y463-L488 HydrophobicContact CE2-CG 4.29Å; Y463-I499 HydrophobicContact CD1-CD1 4.21Å; Y463-I499 HydrophobicContact CD1-CG2 3.65Å; Y463-I499 HydrophobicContact CE1-CG2 3.32Å; Y463-I499 HydrophobicContact CG-CG2 4.49Å |
| 464 | A | 93.9 | Very high | 88.4 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -62.4 | -38.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D460 D461 | D460-A464 VanDerWaalsContact O-CB 3.31Å; D460-A464 WeakPolarHBondContact O-CB 3.34Å; D460-A464 PolarHBondContact O-N 3.2Å; D461-A464 PolarHBondContact O-N 3.34Å |
| 465 | T | 91.5 | Very high | 87.7 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | I | π-helix | trans | -78 | -44.9 | -175.9 | -54.6 | 0 | 0 | 0 | 0 | 112.5 | D461 F462 Y463 | D461-T465 WeakPolarHBondContact O-CB 3.46Å; D461-T465 PolarHBondContact O-N 2.9Å; D461-T465 PolarHBondContact O-OG1 3.23Å; F462-T465 PolarHBondContact O-N 3.44Å; Y463-T465 VanDerWaalsContact C-N 3.3Å; Y463-T465 PolarHBondContact O-N 3.43Å |
| 466 | F | 90.2 | Very high | 87.5 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 20% | 0.197 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -113.7 | -26.3 | -167.9 | -63.2 | -72.4 | 0 | 0 | 0 | 114.9 | L415 V419 F462 F480 | L415-F466 HydrophobicContact CB-CE1 4.42Å; L415-F466 HydrophobicContact CD1-CE1 4.44Å; L415-F466 HydrophobicContact CD1-CE2 4.11Å; L415-F466 HydrophobicContact CD1-CZ 3.95Å; L415-F466 HydrophobicContact CD2-CD1 4.15Å; L415-F466 HydrophobicContact CD2-CE1 4.12Å; L415-F466 HydrophobicContact CD2-CG 4.46Å; L415-F466 HydrophobicContact CD2-CZ 4.42Å; V419-F466 HydrophobicContact CG2-CE1 4.34Å; F462-F466 AromaticContact CD2-CD2 3.66Å; F462-F466 HydrophobicContact CD2-CD2 3.66Å; F462-F466 HydrophobicContact CD2-CE2 4.08Å; F462-F466 AromaticContact CE2-CD2 3.67Å; F462-F466 HydrophobicContact CE2-CD2 3.67Å; F462-F466 HydrophobicContact CE2-CE2 4.12Å; F462-F466 HydrophobicContact CE2-CG 4.43Å; F462-F466 HydrophobicContact CG-CD2 4.24Å; F462-F466 HydrophobicContact CZ-CD2 4.26Å; F462-F466 PolarHBondContact O-N 2.85Å; F466-F480 VanDerWaalsContact O-CZ 3.31Å; F466-F480 WeakPolarHBondContact O-CZ 3.43Å |
| 467 | L | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -110.5 | -33.7 | -166.8 | -55.4 | -177.2 | 0 | 0 | 0 | 114 | I433 F462 Y463 S469 G470 L471 F480 A484 Y487 | I433-L467 HydrophobicContact CD1-CD2 3.46Å; I433-L467 VanDerWaalsContact CD1-CD2 3.46Å; I433-L467 HydrophobicContact CG1-CD2 3.95Å; F462-L467 HydrophobicContact CD1-CD1 4.1Å; F462-L467 HydrophobicContact CD1-CG 4.36Å; F462-L467 HydrophobicContact CE1-CD1 4.07Å; F462-L467 HydrophobicContact CE1-CD2 4.36Å; F462-L467 HydrophobicContact CE1-CG 4.2Å; Y463-L467 HydrophobicContact CD2-CB 3.83Å; Y463-L467 HydrophobicContact CD2-CD1 4.34Å; Y463-L467 HydrophobicContact CE2-CB 4.32Å; Y463-L467 PolarHBondContact O-N 2.85Å; L467-S469 VanDerWaalsContact C-N 3.31Å; L467-S469 PolarHBondContact O-N 2.9Å; L467-G470 PolarHBondContact O-N 3.37Å; L467-L471 PolarHBondContact O-N 3.02Å; L467-F480 HydrophobicContact CD2-CE2 3.95Å; L467-A484 HydrophobicContact CB-CB 4.12Å; L467-A484 HydrophobicContact CD2-CB 4.34Å; L467-Y487 HydrophobicContact CD1-CD1 3.38Å; L467-Y487 HydrophobicContact CD1-CD2 3.97Å; L467-Y487 HydrophobicContact CD1-CE1 3.93Å; L467-Y487 HydrophobicContact CD1-CE2 4.44Å; L467-Y487 HydrophobicContact CD1-CG 3.39Å |
| 468 | K | 91.8 | Very high | 87.8 | Confident | 58 Ų | 58 | 51.7 Ų | 51.7 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.7 | -45.1 | -174.2 | -178.6 | 173.2 | -178 | 164.9 | 0 | 112.8 | Y463 G470 L471 Q472 E502 | Y463-K468 HydrophobicContact CD1-CB 4.5Å; Y463-K468 HydrophobicContact CE1-CB 4Å; Y463-K468 HydrophobicContact CE1-CD 4.46Å; Y463-K468 HydrophobicContact CE1-CG 4.26Å; Y463-K468 PolarHBondContact O-N 3.25Å; K468-G470 VanDerWaalsContact C-N 3.27Å; K468-G470 PolarHBondContact O-N 3.25Å; K468-L471 PolarHBondContact O-N 3.17Å; K468-Q472 PolarHBondContact O-N 2.93Å; K468-E502 WeakPolarHBondContact CE-OE1 3.17Å; K468-E502 VanDerWaalsContact NZ-CD 3.33Å; K468-E502 IonicContact NZ-OE1 2.68Å; K468-E502 PolarHBondContact NZ-OE1 3.31Å; K468-E502 IonicContact NZ-OE2 3.17Å; K468-E502 PolarHBondContact NZ-OE2 2.81Å; K468-E502 VanDerWaalsContact NZ-OE2 3.17Å |
| 469 | S | 87 | Confident | 87.7 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 58% | 0.58 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.4 | -30.1 | 179.7 | 57 | 0 | 0 | 0 | 0 | 113.1 | L467 G473 | L467-S469 VanDerWaalsContact C-N 3.31Å; L467-S469 PolarHBondContact O-N 2.9Å; S469-G473 PolarHBondContact O-N 2.91Å |
| 470 | G | 83.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L467 K468 A476 K481 | L467-G470 PolarHBondContact O-N 3.37Å; K468-G470 VanDerWaalsContact C-N 3.27Å; K468-G470 PolarHBondContact O-N 3.25Å; G470-A476 WeakPolarHBondContact O-CB 3.42Å; G470-K481 WeakPolarHBondContact O-CG 3.39Å |
| 471 | L | 86.6 | Confident | 87.3 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -77.6 | -31.8 | 179.8 | -67.5 | 177.3 | 0 | 0 | 0 | 112.9 | Y463 L467 K468 K481 A484 L485 L488 L503 L510 | Y463-L471 HydrophobicContact CE2-CD1 3.94Å; L467-L471 PolarHBondContact O-N 3.02Å; K468-L471 PolarHBondContact O-N 3.17Å; L471-K481 HydrophobicContact CD2-CB 4.46Å; L471-A484 HydrophobicContact CD1-CB 3.98Å; L471-A484 HydrophobicContact CD2-CB 3.72Å; L471-A484 HydrophobicContact CG-CB 3.66Å; L471-L485 HydrophobicContact CD2-CD2 4.19Å; L471-L485 HydrophobicContact CD2-CG 3.98Å; L471-L488 HydrophobicContact CD1-CD1 3.66Å; L471-L503 HydrophobicContact CB-CD1 4.3Å; L471-L503 HydrophobicContact CD1-CD1 3.92Å; L471-L503 HydrophobicContact CD1-CD2 4.36Å; L471-L510 HydrophobicContact CD2-CD1 4.18Å |
| 472 | Q | 84.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -90 | -15.3 | -179.1 | -64.5 | -177.9 | -18.8 | 0 | 0 | 113.1 | K468 E502 | K468-Q472 PolarHBondContact O-N 2.93Å; Q472-E502 PolarHBondContact NE2-OE1 2.75Å |
| 473 | G | 78.6 | Confident | 87.2 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | trans | -89 | 131.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S469 K481 | S469-G473 PolarHBondContact O-N 2.91Å; G473-K481 VanDerWaalsContact O-CE 3.29Å; G473-K481 WeakPolarHBondContact O-CE 3.07Å; G473-K481 PolarHBondContact O-NZ 3.07Å | ||
| 474 | D | 71.3 | Confident | 87.1 | Confident | 153 Ų | 153 | 43 Ų | 43 | 82% | 0.818 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -42.8 | 177.3 | -70.6 | -27.8 | 0 | 0 | 0 | 112.1 | A476 K481 | D474-A476 VanDerWaalsContact C-N 3.3Å; D474-A476 PolarHBondContact O-N 2.84Å; D474-K481 PolarHBondContact O-NZ 3.5Å |
| 475 | S | 71.1 | Confident | 87.2 | Confident | 127 Ų | 127 | 40.3 Ų | 40.3 | 89% | 0.888 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 10.7 | -172.6 | -47.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 476 | A | 77.7 | Confident | 87.4 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -73 | 143.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | G470 D474 F480 K481 | G470-A476 WeakPolarHBondContact O-CB 3.42Å; D474-A476 VanDerWaalsContact C-N 3.3Å; D474-A476 PolarHBondContact O-N 2.84Å; A476-F480 HydrophobicContact CB-CD1 4.16Å; A476-K481 HydrophobicContact CB-CG 4.23Å |
| 477 | I | 85.3 | Confident | 87.6 | Confident | 66 Ų | 66 | 34.8 Ų | 34.8 | 34% | 0.338 | 21% | 0.207 | S | C | . | . | trans | -56 | 132.1 | 175.1 | -61.7 | 172.1 | 0 | 0 | 0 | 108.7 | W426 L479 F480 K481 | W426-I477 HydrophobicContact CB-CD1 3.79Å; W426-I477 VanDerWaalsContact CD1-CD1 3.5Å; W426-I477 HydrophobicContact CD2-CD1 4.38Å; W426-I477 HydrophobicContact CG-CD1 3.62Å; I477-L479 VanDerWaalsContact C-N 3.25Å; I477-L479 HydrophobicContact CG2-CB 4.27Å; I477-L479 PolarHBondContact O-N 3.05Å; I477-L479 VanDerWaalsContact O-N 3.17Å; I477-F480 HydrophobicContact CB-CB 4.44Å; I477-F480 WeakPolarHBondContact O-CB 3.41Å; I477-F480 PolarHBondContact O-N 3.33Å; I477-K481 PolarHBondContact O-N 3.47Å | ||
| 478 | P | 89.6 | Confident | 87.8 | Confident | 53 Ų | 53 | 34.8 Ų | 34.8 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -53.8 | -39.8 | -176.8 | -30.3 | 35.8 | 0 | 0 | 0 | 114.1 | F364 F480 K481 A482 C515 I518 | F364-P478 HydrophobicContact CE1-CB 4.14Å; F364-P478 HydrophobicContact CZ-CB 4.09Å; P478-F480 VanDerWaalsContact C-N 3.3Å; P478-F480 PolarHBondContact O-N 2.86Å; P478-K481 PolarHBondContact O-N 3.37Å; P478-A482 PolarHBondContact O-N 3.48Å; P478-C515 HydrophobicContact CB-CB 4.12Å; P478-I518 HydrophobicContact CB-CD1 3.94Å; P478-I518 WeakPolarHBondContact O-CD1 3.23Å |
| 479 | L | 90.3 | Very high | 88 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -37.8 | 176.4 | -171.7 | 71.9 | 0 | 0 | 0 | 112.6 | L356 L361 F364 Y371 W426 I477 K481 A482 D483 | L356-L479 HydrophobicContact CD2-CD2 3.64Å; L361-L479 HydrophobicContact CD2-CD2 4.16Å; F364-L479 HydrophobicContact CD2-CD1 3.72Å; F364-L479 HydrophobicContact CE2-CD1 3.66Å; F364-L479 HydrophobicContact CG-CD1 4.34Å; F364-L479 HydrophobicContact CZ-CB 4.33Å; F364-L479 HydrophobicContact CZ-CD1 4.26Å; Y371-L479 WeakPolarHBondContact OH-CD1 3.35Å; W426-L479 HydrophobicContact CE3-CD2 3.8Å; W426-L479 HydrophobicContact CH2-CD2 4.13Å; W426-L479 HydrophobicContact CZ3-CD2 3.24Å; I477-L479 VanDerWaalsContact C-N 3.25Å; I477-L479 HydrophobicContact CG2-CB 4.27Å; I477-L479 PolarHBondContact O-N 3.05Å; I477-L479 VanDerWaalsContact O-N 3.17Å; L479-K481 VanDerWaalsContact C-N 3.33Å; L479-K481 PolarHBondContact O-N 3.44Å; L479-A482 CarbonylContact O-C 3.57Å; L479-A482 WeakPolarHBondContact O-CB 3.47Å; L479-A482 PolarHBondContact O-N 2.84Å; L479-A482 VanDerWaalsContact O-N 3.13Å; L479-D483 PolarHBondContact O-N 3.17Å |
| 480 | F | 90.5 | Very high | 88.3 | Confident | 17 Ų | 17 | 29.5 Ų | 29.5 | 8% | 0.075 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 177.3 | 175.8 | -141.3 | 0 | 0 | 0 | 111.9 | L429 I433 F466 L467 A476 I477 P478 A482 D483 A484 | L429-F480 HydrophobicContact CD2-CD2 3.46Å; L429-F480 VanDerWaalsContact CD2-CD2 3.46Å; L429-F480 HydrophobicContact CD2-CE2 3.36Å; L429-F480 HydrophobicContact CD2-CG 4.16Å; L429-F480 HydrophobicContact CD2-CZ 3.93Å; L429-F480 HydrophobicContact CG-CD2 4.46Å; L429-F480 HydrophobicContact CG-CE2 4.39Å; I433-F480 HydrophobicContact CD1-CD2 4.42Å; I433-F480 HydrophobicContact CD1-CE2 4.35Å; F466-F480 VanDerWaalsContact O-CZ 3.31Å; F466-F480 WeakPolarHBondContact O-CZ 3.43Å; L467-F480 HydrophobicContact CD2-CE2 3.95Å; A476-F480 HydrophobicContact CB-CD1 4.16Å; I477-F480 HydrophobicContact CB-CB 4.44Å; I477-F480 WeakPolarHBondContact O-CB 3.41Å; I477-F480 PolarHBondContact O-N 3.33Å; P478-F480 VanDerWaalsContact C-N 3.3Å; P478-F480 PolarHBondContact O-N 2.86Å; F480-A482 VanDerWaalsContact C-N 3.34Å; F480-D483 PolarHBondContact O-N 3.4Å; F480-A484 WeakPolarHBondContact O-CB 3.21Å; F480-A484 PolarHBondContact O-N 2.88Å |
| 481 | K | 93 | Very high | 88.9 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 171.5 | -66.7 | -175.7 | -173.8 | 178.8 | 0 | 111.2 | G470 L471 G473 D474 A476 I477 P478 L479 A484 L485 L510 H513 I518 | G470-K481 WeakPolarHBondContact O-CG 3.39Å; L471-K481 HydrophobicContact CD2-CB 4.46Å; G473-K481 VanDerWaalsContact O-CE 3.29Å; G473-K481 WeakPolarHBondContact O-CE 3.07Å; G473-K481 PolarHBondContact O-NZ 3.07Å; D474-K481 PolarHBondContact O-NZ 3.5Å; A476-K481 HydrophobicContact CB-CG 4.23Å; I477-K481 PolarHBondContact O-N 3.47Å; P478-K481 PolarHBondContact O-N 3.37Å; L479-K481 VanDerWaalsContact C-N 3.33Å; L479-K481 PolarHBondContact O-N 3.44Å; K481-A484 PolarHBondContact O-N 3.04Å; K481-L485 WeakPolarHBondContact O-CG 2.96Å; K481-L485 PolarHBondContact O-N 3.09Å; K481-L510 HydrophobicContact CD-CD2 4.32Å; K481-H513 PolarHBondContact NZ-NE2 3.47Å; K481-I518 HydrophobicContact CB-CD1 3.67Å; K481-I518 HydrophobicContact CB-CG1 4.18Å; K481-I518 HydrophobicContact CD-CD1 3.97Å; K481-I518 HydrophobicContact CG-CD1 4.37Å |
| 482 | A | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F364 P478 L479 F480 A484 L485 K486 V517 Y521 | F364-A482 HydrophobicContact CE2-CB 4.06Å; P478-A482 PolarHBondContact O-N 3.48Å; L479-A482 CarbonylContact O-C 3.57Å; L479-A482 WeakPolarHBondContact O-CB 3.47Å; L479-A482 PolarHBondContact O-N 2.84Å; L479-A482 VanDerWaalsContact O-N 3.13Å; F480-A482 VanDerWaalsContact C-N 3.34Å; A482-A484 PolarHBondContact O-N 3.41Å; A482-L485 PolarHBondContact O-N 3.45Å; A482-K486 WeakPolarHBondContact O-CB 3.37Å; A482-K486 PolarHBondContact O-N 3.34Å; A482-V517 HydrophobicContact CB-CG1 4.22Å; A482-Y521 HydrophobicContact CB-CD2 4.15Å; A482-Y521 HydrophobicContact CB-CE2 4.08Å; A482-Y521 WeakPolarHBondContact O-CD2 3.47Å |
| 483 | D | 92.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.7 | -72.1 | -30.8 | 0 | 0 | 0 | 112.4 | N430 I433 L479 F480 K486 Y487 | N430-D483 WeakPolarHBondContact CB-OD2 3.43Å; N430-D483 PolarHBondContact ND2-OD1 3.28Å; N430-D483 PolarHBondContact ND2-OD2 2.9Å; I433-D483 HydrophobicContact CD1-CB 3.75Å; I433-D483 HydrophobicContact CG2-CB 4.39Å; L479-D483 PolarHBondContact O-N 3.17Å; F480-D483 PolarHBondContact O-N 3.4Å; D483-K486 WeakPolarHBondContact O-CB 3.1Å; D483-K486 PolarHBondContact O-N 3.07Å; D483-Y487 WeakPolarHBondContact O-CB 3.34Å; D483-Y487 PolarHBondContact O-N 3.36Å |
| 484 | A | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L467 L471 F480 K481 A482 Y487 L488 | L467-A484 HydrophobicContact CB-CB 4.12Å; L467-A484 HydrophobicContact CD2-CB 4.34Å; L471-A484 HydrophobicContact CD1-CB 3.98Å; L471-A484 HydrophobicContact CD2-CB 3.72Å; L471-A484 HydrophobicContact CG-CB 3.66Å; F480-A484 WeakPolarHBondContact O-CB 3.21Å; F480-A484 PolarHBondContact O-N 2.88Å; K481-A484 PolarHBondContact O-N 3.04Å; A482-A484 PolarHBondContact O-N 3.41Å; A484-Y487 PolarHBondContact O-N 2.97Å; A484-L488 WeakPolarHBondContact O-CG 3.33Å; A484-L488 PolarHBondContact O-N 3.44Å; A484-L488 VanDerWaalsContact O-N 3.14Å |
| 485 | L | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 172.5 | -71.8 | 172 | 0 | 0 | 0 | 111.6 | L471 K481 A482 Y487 L488 I489 L507 L510 I518 Y521 A522 L525 | L471-L485 HydrophobicContact CD2-CD2 4.19Å; L471-L485 HydrophobicContact CD2-CG 3.98Å; K481-L485 WeakPolarHBondContact O-CG 2.96Å; K481-L485 PolarHBondContact O-N 3.09Å; A482-L485 PolarHBondContact O-N 3.45Å; L485-Y487 VanDerWaalsContact C-N 3.31Å; L485-Y487 PolarHBondContact O-N 3.13Å; L485-L488 CarbonylContact O-C 3.3Å; L485-L488 PolarHBondContact O-N 2.89Å; L485-I489 VanDerWaalsContact O-CG1 3.24Å; L485-I489 WeakPolarHBondContact O-CG1 3.35Å; L485-I489 PolarHBondContact O-N 3.25Å; L485-L507 HydrophobicContact CD2-CD1 3.71Å; L485-L510 HydrophobicContact CD1-CD1 4.2Å; L485-L510 HydrophobicContact CD2-CD1 4.09Å; L485-L510 HydrophobicContact CG-CD1 4.45Å; L485-I518 HydrophobicContact CD1-CG2 4.11Å; L485-Y521 HydrophobicContact CB-CD2 4.13Å; L485-A522 HydrophobicContact CD1-CB 4.43Å; L485-L525 HydrophobicContact CD2-CD2 4.05Å |
| 486 | K | 94.3 | Very high | 92.5 | Very high | 23 Ų | 23 | 19.8 Ų | 19.8 | 10% | 0.1 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58 | -45 | 175.7 | -175.9 | -174.2 | -169.1 | 168.9 | 0 | 111.4 | D375 L376 I437 A482 D483 L488 I489 A490 Y521 | D375-K486 WeakPolarHBondContact O-CE 3.3Å; D375-K486 PolarHBondContact O-NZ 3.4Å; D375-K486 IonicContact OD1-NZ 2.67Å; D375-K486 PolarHBondContact OD1-NZ 3.48Å; D375-K486 VanDerWaalsContact OD2-CD 3.32Å; D375-K486 WeakPolarHBondContact OD2-CD 3.28Å; D375-K486 WeakPolarHBondContact OD2-CE 3.04Å; D375-K486 IonicContact OD2-NZ 2.81Å; D375-K486 PolarHBondContact OD2-NZ 3.46Å; L376-K486 HydrophobicContact CD2-CB 4.49Å; L376-K486 HydrophobicContact CD2-CG 4.07Å; I437-K486 HydrophobicContact CD1-CD 4.33Å; I437-K486 HydrophobicContact CD1-CG 4.29Å; A482-K486 WeakPolarHBondContact O-CB 3.37Å; A482-K486 PolarHBondContact O-N 3.34Å; D483-K486 WeakPolarHBondContact O-CB 3.1Å; D483-K486 PolarHBondContact O-N 3.07Å; K486-L488 VanDerWaalsContact C-N 3.34Å; K486-L488 PolarHBondContact O-N 3.49Å; K486-I489 PolarHBondContact O-N 3.24Å; K486-A490 WeakPolarHBondContact O-CB 3.35Å; K486-A490 PolarHBondContact O-N 3.18Å; K486-Y521 HydrophobicContact CB-CD2 4.38Å; K486-Y521 HydrophobicContact CB-CE2 4.06Å |
| 487 | Y | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.3 | -48.3 | 175.4 | 178.7 | -88.3 | 0 | 0 | 0 | 111.3 | I433 V436 I437 F457 V459 F462 L467 D483 A484 L485 I489 A490 F491 | I433-Y487 HydrophobicContact CG2-CD2 4.47Å; V436-Y487 HydrophobicContact CG1-CE2 4.17Å; I437-Y487 HydrophobicContact CD1-CD2 4.48Å; I437-Y487 HydrophobicContact CG1-CD2 3.97Å; F457-Y487 HydrophobicContact CE1-CE2 4.49Å; F457-Y487 WeakPolarHBondContact CE1-OH 3.37Å; F457-Y487 HydrophobicContact CZ-CE2 4.26Å; F457-Y487 WeakPolarHBondContact CZ-OH 2.78Å; V459-Y487 VanDerWaalsContact CA-OH 3.25Å; V459-Y487 WeakPolarHBondContact CA-OH 3.47Å; V459-Y487 HydrophobicContact CG1-CE1 4.02Å; V459-Y487 PolarHBondContact O-OH 3.3Å; F462-Y487 HydrophobicContact CD1-CD2 4.22Å; F462-Y487 HydrophobicContact CD1-CE1 4.5Å; F462-Y487 AromaticContact CD1-CE2 3.54Å; F462-Y487 HydrophobicContact CD1-CE2 3.54Å; F462-Y487 AromaticContact CD1-CZ 3.7Å; F462-Y487 HydrophobicContact CE1-CD2 4.23Å; F462-Y487 AromaticContact CE1-CE2 3.94Å; F462-Y487 HydrophobicContact CE1-CE2 3.94Å; F462-Y487 HydrophobicContact CG-CE2 4.47Å; L467-Y487 HydrophobicContact CD1-CD1 3.38Å; L467-Y487 HydrophobicContact CD1-CD2 3.97Å; L467-Y487 HydrophobicContact CD1-CE1 3.93Å; L467-Y487 HydrophobicContact CD1-CE2 4.44Å; L467-Y487 HydrophobicContact CD1-CG 3.39Å; D483-Y487 WeakPolarHBondContact O-CB 3.34Å; D483-Y487 PolarHBondContact O-N 3.36Å; A484-Y487 PolarHBondContact O-N 2.97Å; L485-Y487 VanDerWaalsContact C-N 3.31Å; L485-Y487 PolarHBondContact O-N 3.13Å; Y487-I489 PolarHBondContact O-N 3.31Å; Y487-A490 PolarHBondContact O-N 2.85Å; Y487-F491 HydrophobicContact CD1-CD2 4.24Å; Y487-F491 AromaticContact CD2-CD2 3.76Å; Y487-F491 HydrophobicContact CD2-CD2 3.76Å; Y487-F491 AromaticContact CD2-CE2 3.79Å; Y487-F491 HydrophobicContact CD2-CE2 3.79Å; Y487-F491 HydrophobicContact CE1-CD2 4.04Å; Y487-F491 AromaticContact CE2-CD2 3.53Å; Y487-F491 HydrophobicContact CE2-CD2 3.53Å; Y487-F491 AromaticContact CE2-CE2 3.47Å; Y487-F491 HydrophobicContact CE2-CE2 3.47Å; Y487-F491 VanDerWaalsContact CE2-CE2 3.47Å; Y487-F491 HydrophobicContact CG-CD2 4.12Å; Y487-F491 AromaticContact CZ-CD2 3.69Å; Y487-F491 WeakPolarHBondContact O-CD2 3.37Å; Y487-F491 PolarHBondContact O-N 3.47Å |
| 488 | L | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -36.2 | 177.3 | -69.6 | 171.7 | 0 | 0 | 0 | 112.6 | Y463 L471 A484 L485 K486 R492 T495 I500 L503 L525 | Y463-L488 HydrophobicContact CD2-CD2 3.9Å; Y463-L488 HydrophobicContact CD2-CG 4.36Å; Y463-L488 HydrophobicContact CE2-CD1 4Å; Y463-L488 HydrophobicContact CE2-CD2 4.02Å; Y463-L488 HydrophobicContact CE2-CG 4.29Å; L471-L488 HydrophobicContact CD1-CD1 3.66Å; A484-L488 WeakPolarHBondContact O-CG 3.33Å; A484-L488 PolarHBondContact O-N 3.44Å; A484-L488 VanDerWaalsContact O-N 3.14Å; L485-L488 CarbonylContact O-C 3.3Å; L485-L488 PolarHBondContact O-N 2.89Å; K486-L488 VanDerWaalsContact C-N 3.34Å; K486-L488 PolarHBondContact O-N 3.49Å; L488-R492 WeakPolarHBondContact O-CA 3.42Å; L488-R492 VanDerWaalsContact O-CB 3.23Å; L488-R492 WeakPolarHBondContact O-CB 3.37Å; L488-R492 PolarHBondContact O-N 2.94Å; L488-T495 HydrophobicContact CD2-CG2 4.19Å; L488-I500 HydrophobicContact CD2-CD1 4.37Å; L488-L503 HydrophobicContact CD1-CD2 3.3Å; L488-L525 HydrophobicContact CB-CD1 4.29Å; L488-L525 HydrophobicContact CB-CD2 3.84Å; L488-L525 HydrophobicContact CD1-CD2 4.16Å |
| 489 | I | 95.5 | Very high | 93.8 | Very high | 12 Ų | 12 | 22 Ų | 22 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 172.4 | -69.7 | 159.7 | 0 | 0 | 0 | 109.5 | L376 L485 K486 Y487 R492 Y521 N524 L525 | L376-I489 HydrophobicContact CD1-CD1 4.11Å; L376-I489 HydrophobicContact CD2-CD1 3.98Å; L485-I489 VanDerWaalsContact O-CG1 3.24Å; L485-I489 WeakPolarHBondContact O-CG1 3.35Å; L485-I489 PolarHBondContact O-N 3.25Å; K486-I489 PolarHBondContact O-N 3.24Å; Y487-I489 PolarHBondContact O-N 3.31Å; I489-R492 VanDerWaalsContact O-CD 3.24Å; I489-R492 WeakPolarHBondContact O-CD 3.33Å; I489-R492 VanDerWaalsContact O-CG 3.29Å; I489-R492 WeakPolarHBondContact O-CG 3.4Å; I489-R492 PolarHBondContact O-NH1 2.7Å; I489-Y521 HydrophobicContact CD1-CD2 4.41Å; I489-Y521 HydrophobicContact CD1-CG 4.38Å; I489-N524 HydrophobicContact CD1-CB 4.39Å; I489-L525 HydrophobicContact CD1-CB 4.47Å; I489-L525 HydrophobicContact CG1-CB 3.83Å; I489-L525 HydrophobicContact CG1-CD1 4.09Å; I489-L525 HydrophobicContact CG1-CG 4.45Å |
| 490 | A | 93.3 | Very high | 94 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 15% | 0.149 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I437 V450 K486 Y487 | I437-A490 HydrophobicContact CG1-CB 4.48Å; I437-A490 HydrophobicContact CG2-CB 3.92Å; V450-A490 WeakPolarHBondContact CG2-O 3.32Å; V450-A490 PolarHBondContact N-O 3.22Å; K486-A490 WeakPolarHBondContact O-CB 3.35Å; K486-A490 PolarHBondContact O-N 3.18Å; Y487-A490 PolarHBondContact O-N 2.85Å |
| 491 | F | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -97.9 | 15.1 | -175.1 | -65.9 | -75.5 | 0 | 0 | 0 | 114.9 | I437 A440 V450 V453 V459 Y487 N493 Q494 T495 | I437-F491 HydrophobicContact CB-CE2 4.33Å; I437-F491 HydrophobicContact CG1-CE2 3.88Å; A440-F491 HydrophobicContact CB-CE1 4.22Å; A440-F491 HydrophobicContact CB-CZ 3.86Å; V450-F491 HydrophobicContact CB-CD1 3.83Å; V450-F491 HydrophobicContact CB-CE1 4.04Å; V450-F491 HydrophobicContact CG1-CD1 3.98Å; V450-F491 HydrophobicContact CG1-CE1 3.88Å; V450-F491 HydrophobicContact CG2-CD1 3.88Å; V450-F491 HydrophobicContact CG2-CE1 3.77Å; V450-F491 HydrophobicContact CG2-CZ 4.33Å; V453-F491 HydrophobicContact CG2-CD1 4.24Å; V453-F491 HydrophobicContact CG2-CE1 4.27Å; V459-F491 HydrophobicContact CG1-CB 3.66Å; V459-F491 HydrophobicContact CG1-CD1 4.45Å; V459-F491 HydrophobicContact CG1-CG 4.02Å; V459-F491 HydrophobicContact CG2-CB 4.42Å; V459-F491 HydrophobicContact CG2-CD1 3.72Å; V459-F491 HydrophobicContact CG2-CE1 4.2Å; V459-F491 HydrophobicContact CG2-CG 4.11Å; Y487-F491 HydrophobicContact CD1-CD2 4.24Å; Y487-F491 AromaticContact CD2-CD2 3.76Å; Y487-F491 HydrophobicContact CD2-CD2 3.76Å; Y487-F491 AromaticContact CD2-CE2 3.79Å; Y487-F491 HydrophobicContact CD2-CE2 3.79Å; Y487-F491 HydrophobicContact CE1-CD2 4.04Å; Y487-F491 AromaticContact CE2-CD2 3.53Å; Y487-F491 HydrophobicContact CE2-CD2 3.53Å; Y487-F491 AromaticContact CE2-CE2 3.47Å; Y487-F491 HydrophobicContact CE2-CE2 3.47Å; Y487-F491 VanDerWaalsContact CE2-CE2 3.47Å; Y487-F491 HydrophobicContact CG-CD2 4.12Å; Y487-F491 AromaticContact CZ-CD2 3.69Å; Y487-F491 WeakPolarHBondContact O-CD2 3.37Å; Y487-F491 PolarHBondContact O-N 3.47Å; F491-N493 PolarHBondContact O-N 3.35Å; F491-Q494 HydrophobicContact CB-CB 4.47Å; F491-Q494 CarbonylContact O-C 3.53Å; F491-Q494 WeakPolarHBondContact O-CA 3.45Å; F491-Q494 PolarHBondContact O-N 2.67Å; F491-T495 PolarHBondContact O-N 3.08Å; F491-T495 PolarHBondContact O-OG1 3.32Å; F491-T495 VanDerWaalsContact O-OG1 3.11Å |
| 492 | R | 94.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -32.1 | -175.4 | 60.9 | -169.8 | -174.5 | -98.6 | 12.1 | 116 | S446 K447 G449 L488 I489 L525 H528 L532 | S446-R492 PolarHBondContact O-NH2 2.92Å; K447-R492 PolarHBondContact O-NH2 3.37Å; G449-R492 VanDerWaalsContact CA-CZ 3.49Å; L488-R492 WeakPolarHBondContact O-CA 3.42Å; L488-R492 VanDerWaalsContact O-CB 3.23Å; L488-R492 WeakPolarHBondContact O-CB 3.37Å; L488-R492 PolarHBondContact O-N 2.94Å; I489-R492 VanDerWaalsContact O-CD 3.24Å; I489-R492 WeakPolarHBondContact O-CD 3.33Å; I489-R492 VanDerWaalsContact O-CG 3.29Å; I489-R492 WeakPolarHBondContact O-CG 3.4Å; I489-R492 PolarHBondContact O-NH1 2.7Å; R492-L525 HydrophobicContact CB-CD1 4.38Å; R492-H528 VanDerWaalsContact CD-CB 3.41Å; R492-H528 PolarHBondContact NH2-CE1 2.93Å; R492-H528 PolarHBondContact NH2-ND1 3.07Å; R492-L532 HydrophobicContact CB-CD1 4.4Å; R492-L532 WeakPolarHBondContact O-CD1 3.41Å |
| 493 | N | 92.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 27.9 Ų | 27.9 | 28% | 0.283 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -1 | 178.6 | -168.2 | 52 | 0 | 0 | 0 | 113.5 | F448 F491 L532 | F448-N493 WeakPolarHBondContact O-CB 3.49Å; F491-N493 PolarHBondContact O-N 3.35Å; N493-L532 HydrophobicContact CB-CD2 4.08Å |
| 494 | Q | 93.4 | Very high | 94.4 | Very high | 64 Ų | 64 | 27.6 Ų | 27.6 | 30% | 0.299 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -17.4 | -177.1 | -53.5 | -62.3 | -34.2 | 0 | 0 | 112.4 | V450 T451 V453 V459 F491 | V450-Q494 HydrophobicContact CB-CG 4.41Å; V450-Q494 HydrophobicContact CG1-CG 4.28Å; V450-Q494 VanDerWaalsContact O-CG 3.29Å; V450-Q494 WeakPolarHBondContact O-CG 3.24Å; V450-Q494 PolarHBondContact O-NE2 2.59Å; T451-Q494 VanDerWaalsContact C-NE2 3.34Å; T451-Q494 PolarHBondContact O-NE2 3.35Å; V453-Q494 HydrophobicContact CG2-CB 3.93Å; V453-Q494 HydrophobicContact CG2-CG 3.56Å; V459-Q494 HydrophobicContact CG2-CB 4.22Å; F491-Q494 HydrophobicContact CB-CB 4.47Å; F491-Q494 CarbonylContact O-C 3.53Å; F491-Q494 WeakPolarHBondContact O-CA 3.45Å; F491-Q494 PolarHBondContact O-N 2.67Å |
| 495 | T | 94.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -73.5 | 134.8 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | L488 F491 K497 I499 I500 | L488-T495 HydrophobicContact CD2-CG2 4.19Å; F491-T495 PolarHBondContact O-N 3.08Å; F491-T495 PolarHBondContact O-OG1 3.32Å; F491-T495 VanDerWaalsContact O-OG1 3.11Å; T495-K497 PolarHBondContact O-N 3.35Å; T495-I499 HydrophobicContact CG2-CB 4Å; T495-I499 HydrophobicContact CG2-CD1 4.36Å; T495-I499 HydrophobicContact CG2-CG2 3.86Å; T495-I500 HydrophobicContact CG2-CD1 3.9Å; T495-I500 HydrophobicContact CG2-CG1 4.08Å |
| 496 | S | 94 | Very high | 94.3 | Very high | 50 Ų | 50 | 32.6 Ų | 32.6 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | trans | -56.4 | 138.5 | 178.4 | -79.9 | 0 | 0 | 0 | 0 | 113.1 | D460 S498 I499 I500 | D460-S496 PolarHBondContact OD1-N 3.28Å; D460-S496 VanDerWaalsContact OD1-N 3.11Å; D460-S496 WeakPolarHBondContact OD2-CB 3.46Å; D460-S496 PolarHBondContact OD2-OG 3.28Å; S496-S498 PolarHBondContact O-N 3.49Å; S496-S498 VanDerWaalsContact O-N 3.16Å; S496-I499 WeakPolarHBondContact O-CB 3.47Å; S496-I499 PolarHBondContact O-N 2.8Å; S496-I500 PolarHBondContact O-N 3Å | ||
| 497 | K | 93 | Very high | 94.4 | Very high | 82 Ų | 82 | 31.6 Ų | 31.6 | 36% | 0.357 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -54.2 | -37.6 | 178.7 | -178.8 | 167.9 | 175.9 | 167 | 0 | 112.8 | T495 I499 I500 V501 M542 Y543 E547 | T495-K497 PolarHBondContact O-N 3.35Å; K497-I499 PolarHBondContact O-N 3.32Å; K497-I500 PolarHBondContact O-N 3.36Å; K497-V501 HydrophobicContact CG-CG2 4.27Å; K497-V501 WeakPolarHBondContact O-CG2 3.1Å; K497-V501 PolarHBondContact O-N 3.45Å; K497-M542 HydrophobicContact CB-CE 4.1Å; K497-M542 WeakPolarHBondContact CE-O 3.5Å; K497-M542 PolarHBondContact NZ-O 3.24Å; K497-Y543 HydrophobicContact CG-CE1 3.9Å; K497-E547 VanDerWaalsContact CE-OE1 3.3Å; K497-E547 WeakPolarHBondContact CE-OE1 3.28Å; K497-E547 IonicContact NZ-OE1 3.67Å; K497-E547 PolarHBondContact NZ-OE1 2.82Å |
| 498 | S | 93.4 | Very high | 94.4 | Very high | 84 Ų | 84 | 31.8 Ų | 31.8 | 59% | 0.587 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -59.3 | -43 | 178 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | S496 V501 E502 | S496-S498 PolarHBondContact O-N 3.49Å; S496-S498 VanDerWaalsContact O-N 3.16Å; S498-V501 PolarHBondContact O-N 3.37Å; S498-E502 PolarHBondContact O-N 2.87Å |
| 499 | I | 94.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 179.3 | -67.8 | 175.4 | 0 | 0 | 0 | 110.3 | D460 Y463 T495 S496 K497 V501 E502 L503 | D460-I499 HydrophobicContact CB-CD1 3.68Å; D460-I499 VanDerWaalsContact CG-CD1 3.45Å; D460-I499 WeakPolarHBondContact OD1-CD1 3.48Å; Y463-I499 HydrophobicContact CD1-CD1 4.21Å; Y463-I499 HydrophobicContact CD1-CG2 3.65Å; Y463-I499 HydrophobicContact CE1-CG2 3.32Å; Y463-I499 HydrophobicContact CG-CG2 4.49Å; T495-I499 HydrophobicContact CG2-CB 4Å; T495-I499 HydrophobicContact CG2-CD1 4.36Å; T495-I499 HydrophobicContact CG2-CG2 3.86Å; S496-I499 WeakPolarHBondContact O-CB 3.47Å; S496-I499 PolarHBondContact O-N 2.8Å; K497-I499 PolarHBondContact O-N 3.32Å; I499-V501 PolarHBondContact O-N 3.17Å; I499-E502 PolarHBondContact O-N 2.83Å; I499-L503 WeakPolarHBondContact O-CB 3.4Å; I499-L503 PolarHBondContact O-N 3.3Å |
| 500 | I | 94.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 180 | -61.8 | -58.7 | 0 | 0 | 0 | 111 | L488 T495 S496 K497 E502 L503 L504 L529 Y543 | L488-I500 HydrophobicContact CD2-CD1 4.37Å; T495-I500 HydrophobicContact CG2-CD1 3.9Å; T495-I500 HydrophobicContact CG2-CG1 4.08Å; S496-I500 PolarHBondContact O-N 3Å; K497-I500 PolarHBondContact O-N 3.36Å; I500-E502 VanDerWaalsContact C-N 3.35Å; I500-E502 PolarHBondContact O-N 3.32Å; I500-L503 WeakPolarHBondContact O-CB 3.37Å; I500-L503 PolarHBondContact O-N 3.49Å; I500-L503 VanDerWaalsContact O-N 3.11Å; I500-L504 WeakPolarHBondContact O-CG 3.36Å; I500-L504 PolarHBondContact O-N 2.83Å; I500-L529 HydrophobicContact CD1-CD2 4.46Å; I500-L529 HydrophobicContact CG1-CD2 4.43Å; I500-L529 HydrophobicContact CG2-CD1 3.67Å; I500-L529 HydrophobicContact CG2-CD2 3.94Å; I500-L529 HydrophobicContact CG2-CG 4.44Å; I500-Y543 HydrophobicContact CB-CE1 3.81Å; I500-Y543 WeakPolarHBondContact CB-OH 3.27Å; I500-Y543 VanDerWaalsContact CG1-OH 3.32Å; I500-Y543 WeakPolarHBondContact CG1-OH 3.25Å; I500-Y543 HydrophobicContact CG2-CD1 4.27Å; I500-Y543 HydrophobicContact CG2-CE1 3.5Å |
| 501 | V | 94.3 | Very high | 94.3 | Very high | 61 Ų | 61 | 36 Ų | 36 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | K497 S498 I499 L503 E547 | K497-V501 HydrophobicContact CG-CG2 4.27Å; K497-V501 WeakPolarHBondContact O-CG2 3.1Å; K497-V501 PolarHBondContact O-N 3.45Å; S498-V501 PolarHBondContact O-N 3.37Å; I499-V501 PolarHBondContact O-N 3.17Å; V501-L503 VanDerWaalsContact C-N 3.28Å; V501-L503 PolarHBondContact O-N 2.82Å; V501-E547 HydrophobicContact CG2-CB 4.49Å; V501-E547 HydrophobicContact CG2-CG 3.9Å |
| 502 | E | 94.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 39.5 Ų | 39.5 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.3 | -35.5 | 173.4 | -168.8 | -166.6 | 153.2 | 0 | 0 | 111.9 | K468 Q472 S498 I499 I500 P505 | K468-E502 WeakPolarHBondContact CE-OE1 3.17Å; K468-E502 VanDerWaalsContact NZ-CD 3.33Å; K468-E502 IonicContact NZ-OE1 2.68Å; K468-E502 PolarHBondContact NZ-OE1 3.31Å; K468-E502 IonicContact NZ-OE2 3.17Å; K468-E502 PolarHBondContact NZ-OE2 2.81Å; K468-E502 VanDerWaalsContact NZ-OE2 3.17Å; Q472-E502 PolarHBondContact NE2-OE1 2.75Å; S498-E502 PolarHBondContact O-N 2.87Å; I499-E502 PolarHBondContact O-N 2.83Å; I500-E502 VanDerWaalsContact C-N 3.35Å; I500-E502 PolarHBondContact O-N 3.32Å; E502-P505 WeakPolarHBondContact O-CD 3.38Å |
| 503 | L | 94.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -77 | -30.2 | -177.4 | -178.7 | 67 | 0 | 0 | 0 | 113.6 | L471 L488 I499 I500 V501 P505 H506 L507 | L471-L503 HydrophobicContact CB-CD1 4.3Å; L471-L503 HydrophobicContact CD1-CD1 3.92Å; L471-L503 HydrophobicContact CD1-CD2 4.36Å; L488-L503 HydrophobicContact CD1-CD2 3.3Å; I499-L503 WeakPolarHBondContact O-CB 3.4Å; I499-L503 PolarHBondContact O-N 3.3Å; I500-L503 WeakPolarHBondContact O-CB 3.37Å; I500-L503 PolarHBondContact O-N 3.49Å; I500-L503 VanDerWaalsContact O-N 3.11Å; V501-L503 VanDerWaalsContact C-N 3.28Å; V501-L503 PolarHBondContact O-N 2.82Å; L503-P505 VanDerWaalsContact C-CD 3.49Å; L503-H506 HydrophobicContact CD1-CB 4.21Å; L503-H506 WeakPolarHBondContact O-CA 3.29Å; L503-H506 WeakPolarHBondContact O-CB 3.24Å; L503-H506 PolarHBondContact O-N 2.67Å; L503-L507 HydrophobicContact CG-CB 4.36Å; L503-L507 PolarHBondContact O-N 3.08Å |
| 504 | L | 94.9 | Very high | 94 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -41.7 | -52.6 | -174.8 | -79.3 | 176.9 | 0 | 0 | 0 | 115.4 | I500 H506 L507 V508 E547 F548 Y551 | I500-L504 WeakPolarHBondContact O-CG 3.36Å; I500-L504 PolarHBondContact O-N 2.83Å; L504-H506 VanDerWaalsContact C-N 3.28Å; L504-H506 PolarHBondContact O-N 2.94Å; L504-L507 WeakPolarHBondContact O-CB 3.25Å; L504-L507 PolarHBondContact O-N 3.11Å; L504-V508 WeakPolarHBondContact O-CG2 3.4Å; L504-V508 PolarHBondContact O-N 2.94Å; L504-E547 HydrophobicContact CD1-CB 4.26Å; L504-F548 HydrophobicContact CD2-CD1 4.45Å; L504-F548 HydrophobicContact CD2-CE1 3.78Å; L504-F548 HydrophobicContact CD2-CE2 4.35Å; L504-F548 HydrophobicContact CD2-CZ 3.73Å; L504-Y551 HydrophobicContact CB-CD2 4.33Å; L504-Y551 HydrophobicContact CB-CE2 4Å; L504-Y551 HydrophobicContact CD1-CD2 4.45Å; L504-Y551 HydrophobicContact CD1-CE2 4.3Å |
| 505 | P | 94.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -37.1 | -179.5 | 22 | -33.1 | 0 | 0 | 0 | 113 | E502 L503 N509 Y551 | E502-P505 WeakPolarHBondContact O-CD 3.38Å; L503-P505 VanDerWaalsContact C-CD 3.49Å; P505-N509 PolarHBondContact O-N 2.93Å; P505-N509 PolarHBondContact O-ND2 2.84Å; P505-Y551 HydrophobicContact CB-CE1 3.98Å |
| 506 | H | 94.2 | Very high | 93.9 | Very high | 63 Ų | 63 | 45.7 Ų | 45.7 | 29% | 0.292 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.3 | -43.5 | 176.4 | -58.6 | 84.8 | 0 | 0 | 0 | 110.6 | L503 L504 V508 N509 L510 | L503-H506 HydrophobicContact CD1-CB 4.21Å; L503-H506 WeakPolarHBondContact O-CA 3.29Å; L503-H506 WeakPolarHBondContact O-CB 3.24Å; L503-H506 PolarHBondContact O-N 2.67Å; L504-H506 VanDerWaalsContact C-N 3.28Å; L504-H506 PolarHBondContact O-N 2.94Å; H506-V508 VanDerWaalsContact C-N 3.27Å; H506-V508 PolarHBondContact O-N 3.22Å; H506-N509 WeakPolarHBondContact O-CB 3Å; H506-N509 PolarHBondContact O-N 3.3Å; H506-N509 VanDerWaalsContact O-N 3.08Å; H506-L510 WeakPolarHBondContact O-CG 3.46Å; H506-L510 PolarHBondContact O-N 3.3Å |
| 507 | L | 95 | Very high | 93.9 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -39.2 | 177.5 | -174.5 | 59.5 | 0 | 0 | 0 | 112.2 | L485 L503 L504 L510 A522 L525 I526 L529 | L485-L507 HydrophobicContact CD2-CD1 3.71Å; L503-L507 HydrophobicContact CG-CB 4.36Å; L503-L507 PolarHBondContact O-N 3.08Å; L504-L507 WeakPolarHBondContact O-CB 3.25Å; L504-L507 PolarHBondContact O-N 3.11Å; L507-L510 PolarHBondContact O-N 3.33Å; L507-A522 HydrophobicContact CD1-CB 3.82Å; L507-L525 HydrophobicContact CD1-CB 4.48Å; L507-L525 HydrophobicContact CD1-CD2 3.94Å; L507-L525 HydrophobicContact CD2-CD2 3.93Å; L507-L525 HydrophobicContact CD2-CG 4.08Å; L507-I526 HydrophobicContact CD2-CD1 4.37Å; L507-I526 HydrophobicContact CD2-CG1 3.58Å; L507-I526 HydrophobicContact CG-CD1 4.12Å; L507-I526 HydrophobicContact CG-CG1 3.84Å; L507-L529 HydrophobicContact CD2-CD1 4.17Å |
| 508 | V | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 175 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | L504 H506 L510 L511 Y551 T554 I555 | L504-V508 WeakPolarHBondContact O-CG2 3.4Å; L504-V508 PolarHBondContact O-N 2.94Å; H506-V508 VanDerWaalsContact C-N 3.27Å; H506-V508 PolarHBondContact O-N 3.22Å; V508-L510 VanDerWaalsContact C-N 3.26Å; V508-L510 PolarHBondContact O-N 3.3Å; V508-L511 VanDerWaalsContact O-CB 3.31Å; V508-L511 WeakPolarHBondContact O-CB 3.39Å; V508-L511 PolarHBondContact O-N 3.19Å; V508-Y551 HydrophobicContact CG2-CD1 4.09Å; V508-Y551 HydrophobicContact CG2-CG 4.04Å; V508-T554 HydrophobicContact CG1-CG2 3.68Å; V508-I555 HydrophobicContact CG1-CG1 4.14Å; V508-I555 HydrophobicContact CG2-CD1 3.97Å; V508-I555 HydrophobicContact CG2-CG1 3.78Å |
| 509 | N | 94.4 | Very high | 94 | Very high | 102 Ų | 102 | 35.9 Ų | 35.9 | 55% | 0.545 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65 | -30.4 | 176.2 | -68.1 | -19.4 | 0 | 0 | 0 | 112.4 | P505 H506 L511 V512 | P505-N509 PolarHBondContact O-N 2.93Å; P505-N509 PolarHBondContact O-ND2 2.84Å; H506-N509 WeakPolarHBondContact O-CB 3Å; H506-N509 PolarHBondContact O-N 3.3Å; H506-N509 VanDerWaalsContact O-N 3.08Å; N509-L511 PolarHBondContact O-N 3.39Å; N509-V512 WeakPolarHBondContact O-CG2 3.47Å; N509-V512 PolarHBondContact O-N 3.45Å |
| 510 | L | 94.8 | Very high | 94 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -17 | 176.9 | -66 | 174.9 | 0 | 0 | 0 | 113.2 | L471 K481 L485 H506 L507 V508 V512 H513 I518 R519 A522 | L471-L510 HydrophobicContact CD2-CD1 4.18Å; K481-L510 HydrophobicContact CD-CD2 4.32Å; L485-L510 HydrophobicContact CD1-CD1 4.2Å; L485-L510 HydrophobicContact CD2-CD1 4.09Å; L485-L510 HydrophobicContact CG-CD1 4.45Å; H506-L510 WeakPolarHBondContact O-CG 3.46Å; H506-L510 PolarHBondContact O-N 3.3Å; L507-L510 PolarHBondContact O-N 3.33Å; V508-L510 VanDerWaalsContact C-N 3.26Å; V508-L510 PolarHBondContact O-N 3.3Å; L510-V512 PolarHBondContact O-N 2.75Å; L510-H513 VanDerWaalsContact O-CB 3.28Å; L510-H513 WeakPolarHBondContact O-CB 3.24Å; L510-H513 PolarHBondContact O-N 2.81Å; L510-I518 HydrophobicContact CB-CG2 4Å; L510-I518 HydrophobicContact CD2-CG2 3.88Å; L510-I518 HydrophobicContact CG-CG2 4.36Å; L510-R519 WeakPolarHBondContact O-CG 3.43Å; L510-A522 HydrophobicContact CB-CB 3.9Å |
| 511 | L | 94.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.3 | 173.6 | -64.5 | 175.5 | 0 | 0 | 0 | 113.6 | V508 N509 R519 A522 A523 I526 I555 H558 L559 | V508-L511 VanDerWaalsContact O-CB 3.31Å; V508-L511 WeakPolarHBondContact O-CB 3.39Å; V508-L511 PolarHBondContact O-N 3.19Å; N509-L511 PolarHBondContact O-N 3.39Å; L511-R519 VanDerWaalsContact O-CD 3.23Å; L511-R519 WeakPolarHBondContact O-CD 3.25Å; L511-R519 WeakPolarHBondContact O-CG 3.42Å; L511-A522 HydrophobicContact CD2-CB 3.87Å; L511-A522 HydrophobicContact CG-CB 4.48Å; L511-A523 HydrophobicContact CD2-CB 4.06Å; L511-I526 HydrophobicContact CD1-CD1 3.79Å; L511-I526 HydrophobicContact CD2-CD1 4.13Å; L511-I526 HydrophobicContact CG-CD1 4.15Å; L511-I555 HydrophobicContact CD1-CB 4.33Å; L511-I555 HydrophobicContact CD1-CG1 4.18Å; L511-I555 HydrophobicContact CD1-CG2 3.94Å; L511-H558 HydrophobicContact CB-CB 4Å; L511-H558 HydrophobicContact CD1-CB 4.31Å; L511-L559 HydrophobicContact CD1-CD2 4.33Å; L511-L559 HydrophobicContact CD1-CG 4.36Å; L511-L559 HydrophobicContact CD2-CD2 3.89Å |
| 512 | V | 92.7 | Very high | 94.2 | Very high | 73 Ų | 73 | 31.9 Ų | 31.9 | 44% | 0.442 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 15.5 | 175.8 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | N509 L510 H558 | N509-V512 WeakPolarHBondContact O-CG2 3.47Å; N509-V512 PolarHBondContact O-N 3.45Å; L510-V512 PolarHBondContact O-N 2.75Å; V512-H558 HydrophobicContact CG1-CB 4.08Å; V512-H558 WeakPolarHBondContact CG1-CD2 3.23Å |
| 513 | H | 92.6 | Very high | 94.2 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 18% | 0.181 | 14% | 0.144 | C | C | . | . | trans | -63.6 | 148 | 176.9 | -165.6 | -78.6 | 0 | 0 | 0 | 111.8 | K481 L510 C515 I518 R519 | K481-H513 PolarHBondContact NZ-NE2 3.47Å; L510-H513 VanDerWaalsContact O-CB 3.28Å; L510-H513 WeakPolarHBondContact O-CB 3.24Å; L510-H513 PolarHBondContact O-N 2.81Å; H513-C515 PolarHBondContact ND1-N 2.79Å; H513-C515 VanDerWaalsContact ND1-N 3.16Å; H513-C515 PolarHBondContact O-N 3.45Å; H513-I518 HydrophobicContact CB-CB 4.32Å; H513-I518 HydrophobicContact CB-CG2 3.79Å; H513-I518 VanDerWaalsContact CE1-CD1 3.42Å; H513-I518 WeakPolarHBondContact CE1-CD1 3.44Å; H513-R519 HydrophobicContact CB-CG 4.33Å; H513-R519 WeakPolarHBondContact O-CD 3.43Å; H513-R519 WeakPolarHBondContact O-CG 3.28Å; H513-R519 PolarHBondContact O-NE 3.23Å | ||
| 514 | E | 90.6 | Very high | 94.3 | Very high | 181 Ų | 181 | 27.6 Ų | 27.6 | 85% | 0.846 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -59.3 | -49 | -178.1 | -62.3 | -177.6 | 165.1 | 0 | 0 | 112 | P516 | E514-P516 WeakPolarHBondContact O-CD 3.38Š|
| 515 | C | 92.1 | Very high | 94.3 | Very high | 16 Ų | 16 | 27.5 Ų | 27.5 | 11% | 0.108 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -62.5 | 121.4 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | F364 P478 H513 V517 I518 R519 | F364-C515 VanDerWaalsContact CZ-SG 3.58Å; P478-C515 HydrophobicContact CB-CB 4.12Å; H513-C515 PolarHBondContact ND1-N 2.79Å; H513-C515 VanDerWaalsContact ND1-N 3.16Å; H513-C515 PolarHBondContact O-N 3.45Å; C515-V517 PolarHBondContact O-N 3.48Å; C515-I518 HydrophobicContact CB-CB 4.33Å; C515-I518 HydrophobicContact CB-CD1 3.88Å; C515-I518 HydrophobicContact CB-CG1 4.11Å; C515-I518 PolarHBondContact O-N 2.97Å; C515-R519 PolarHBondContact O-N 3.38Å |
| 516 | P | 93.1 | Very high | 94.4 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 14% | 0.143 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 177 | -24 | 34.5 | 0 | 0 | 0 | 114.3 | P368 E514 I518 R519 M520 T568 | P368-P516 HydrophobicContact CB-CB 3.71Å; P368-P516 HydrophobicContact CB-CG 4.35Å; P368-P516 HydrophobicContact CG-CB 3.83Å; P368-P516 HydrophobicContact CG-CG 3.9Å; E514-P516 WeakPolarHBondContact O-CD 3.38Å; P516-I518 VanDerWaalsContact C-N 3.3Å; P516-I518 PolarHBondContact O-N 3.39Å; P516-R519 WeakPolarHBondContact O-CB 3.38Å; P516-R519 PolarHBondContact O-N 2.87Å; P516-R519 VanDerWaalsContact O-N 3.09Å; P516-M520 HydrophobicContact CB-CE 4.24Å; P516-M520 WeakPolarHBondContact O-CG 3.4Å; P516-M520 PolarHBondContact O-N 3.46Å; P516-T568 HydrophobicContact CB-CG2 3.73Å |
| 517 | V | 94 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.2 | -43.7 | -179.4 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | F364 P368 Y371 A482 C515 R519 M520 Y521 | F364-V517 HydrophobicContact CD2-CB 4.16Å; F364-V517 HydrophobicContact CD2-CG1 4.12Å; F364-V517 HydrophobicContact CD2-CG2 3.74Å; F364-V517 HydrophobicContact CE2-CB 3.68Å; F364-V517 HydrophobicContact CE2-CG1 3.68Å; F364-V517 HydrophobicContact CE2-CG2 3.76Å; F364-V517 HydrophobicContact CG-CG2 4.31Å; F364-V517 HydrophobicContact CZ-CB 4.19Å; F364-V517 HydrophobicContact CZ-CG2 4.34Å; P368-V517 HydrophobicContact CB-CG2 3.63Å; P368-V517 HydrophobicContact CG-CG2 4.42Å; Y371-V517 HydrophobicContact CD1-CG1 3.88Å; Y371-V517 HydrophobicContact CD1-CG2 4.16Å; Y371-V517 HydrophobicContact CE1-CG1 4.05Å; A482-V517 HydrophobicContact CB-CG1 4.22Å; C515-V517 PolarHBondContact O-N 3.48Å; V517-R519 VanDerWaalsContact C-N 3.32Å; V517-R519 PolarHBondContact O-N 3.32Å; V517-M520 WeakPolarHBondContact O-CB 3.11Å; V517-M520 PolarHBondContact O-N 3Å; V517-Y521 HydrophobicContact CG1-CD1 3.81Å; V517-Y521 HydrophobicContact CG1-CE1 3.46Å; V517-Y521 VanDerWaalsContact CG1-CE1 3.46Å; V517-Y521 HydrophobicContact CG1-CE2 4.38Å; V517-Y521 HydrophobicContact CG1-CG 4.42Å; V517-Y521 WeakPolarHBondContact O-CD1 3.21Å; V517-Y521 PolarHBondContact O-N 3.08Å |
| 518 | I | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.8 | -68.3 | 174.9 | 0 | 0 | 0 | 111.2 | P478 K481 L485 L510 H513 C515 P516 M520 Y521 A522 | P478-I518 HydrophobicContact CB-CD1 3.94Å; P478-I518 WeakPolarHBondContact O-CD1 3.23Å; K481-I518 HydrophobicContact CB-CD1 3.67Å; K481-I518 HydrophobicContact CB-CG1 4.18Å; K481-I518 HydrophobicContact CD-CD1 3.97Å; K481-I518 HydrophobicContact CG-CD1 4.37Å; L485-I518 HydrophobicContact CD1-CG2 4.11Å; L510-I518 HydrophobicContact CB-CG2 4Å; L510-I518 HydrophobicContact CD2-CG2 3.88Å; L510-I518 HydrophobicContact CG-CG2 4.36Å; H513-I518 HydrophobicContact CB-CB 4.32Å; H513-I518 HydrophobicContact CB-CG2 3.79Å; H513-I518 VanDerWaalsContact CE1-CD1 3.42Å; H513-I518 WeakPolarHBondContact CE1-CD1 3.44Å; C515-I518 HydrophobicContact CB-CB 4.33Å; C515-I518 HydrophobicContact CB-CD1 3.88Å; C515-I518 HydrophobicContact CB-CG1 4.11Å; C515-I518 PolarHBondContact O-N 2.97Å; P516-I518 VanDerWaalsContact C-N 3.3Å; P516-I518 PolarHBondContact O-N 3.39Å; I518-M520 VanDerWaalsContact C-N 3.35Å; I518-M520 PolarHBondContact O-N 2.61Å; I518-Y521 PolarHBondContact O-N 3.32Å; I518-A522 VanDerWaalsContact O-CB 3.29Å; I518-A522 WeakPolarHBondContact O-CB 3.23Å; I518-A522 PolarHBondContact O-N 3.14Å |
| 519 | R | 94.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 4% | 0.038 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 176.9 | -66.4 | -174.5 | -86.9 | 142.7 | 1.3 | 111.3 | L510 L511 H513 C515 P516 V517 A522 A523 M565 S567 T568 | L510-R519 WeakPolarHBondContact O-CG 3.43Å; L511-R519 VanDerWaalsContact O-CD 3.23Å; L511-R519 WeakPolarHBondContact O-CD 3.25Å; L511-R519 WeakPolarHBondContact O-CG 3.42Å; H513-R519 HydrophobicContact CB-CG 4.33Å; H513-R519 WeakPolarHBondContact O-CD 3.43Å; H513-R519 WeakPolarHBondContact O-CG 3.28Å; H513-R519 PolarHBondContact O-NE 3.23Å; C515-R519 PolarHBondContact O-N 3.38Å; P516-R519 WeakPolarHBondContact O-CB 3.38Å; P516-R519 PolarHBondContact O-N 2.87Å; P516-R519 VanDerWaalsContact O-N 3.09Å; V517-R519 VanDerWaalsContact C-N 3.32Å; V517-R519 PolarHBondContact O-N 3.32Å; R519-A522 PolarHBondContact O-N 2.81Å; R519-A523 WeakPolarHBondContact O-CB 3.32Å; R519-A523 PolarHBondContact O-N 3.12Å; R519-M565 VanDerWaalsContact NH1-CE 3.32Å; R519-M565 PolarHBondContact NH1-SD 3.1Å; R519-S567 PolarHBondContact NH2-OG 3.42Å; R519-T568 VanDerWaalsContact NH1-CG2 3.32Å; R519-T568 PolarHBondContact NH1-OG1 3.46Å |
| 520 | M | 94.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 176.7 | -64.4 | 171.6 | -174.2 | 0 | 0 | 111.4 | P368 D369 A372 P516 V517 I518 A523 N524 T568 Y573 | P368-M520 HydrophobicContact CB-CE 3.99Å; P368-M520 HydrophobicContact CB-SD 4.47Å; D369-M520 HydrophobicContact CB-CE 4.45Å; D369-M520 WeakPolarHBondContact OD1-CE 3.31Å; A372-M520 HydrophobicContact CB-SD 3.8Å; P516-M520 HydrophobicContact CB-CE 4.24Å; P516-M520 WeakPolarHBondContact O-CG 3.4Å; P516-M520 PolarHBondContact O-N 3.46Å; V517-M520 WeakPolarHBondContact O-CB 3.11Å; V517-M520 PolarHBondContact O-N 3Å; I518-M520 VanDerWaalsContact C-N 3.35Å; I518-M520 PolarHBondContact O-N 2.61Å; M520-A523 PolarHBondContact O-N 2.83Å; M520-N524 WeakPolarHBondContact O-CB 3.25Å; M520-N524 PolarHBondContact O-N 2.9Å; M520-T568 HydrophobicContact CE-CG2 4.15Å; M520-Y573 HydrophobicContact CB-CD2 3.93Å; M520-Y573 HydrophobicContact CG-CD2 4.24Å |
| 521 | Y | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.6 | -38.4 | -177.5 | -77.2 | 33.6 | 0 | 0 | 0 | 110.9 | Y371 A372 D375 L376 A482 L485 K486 I489 V517 I518 N524 L525 | Y371-Y521 WeakPolarHBondContact CE1-OH 3.34Å; A372-Y521 HydrophobicContact CB-CE1 3.79Å; D375-Y521 VanDerWaalsContact CB-OH 3.28Å; D375-Y521 WeakPolarHBondContact CB-OH 3.35Å; D375-Y521 VanDerWaalsContact CG-OH 3.32Å; D375-Y521 PolarHBondContact OD2-OH 2.74Å; L376-Y521 HydrophobicContact CD1-CD1 3.46Å; L376-Y521 VanDerWaalsContact CD1-CD1 3.46Å; L376-Y521 HydrophobicContact CD1-CD2 4.38Å; L376-Y521 HydrophobicContact CD1-CE1 3.43Å; L376-Y521 VanDerWaalsContact CD1-CE1 3.43Å; L376-Y521 HydrophobicContact CD1-CE2 4.37Å; L376-Y521 HydrophobicContact CD1-CG 3.96Å; L376-Y521 HydrophobicContact CD2-CD2 4.32Å; L376-Y521 HydrophobicContact CD2-CE1 4.3Å; L376-Y521 HydrophobicContact CD2-CE2 3.92Å; L376-Y521 HydrophobicContact CG-CD1 4.17Å; L376-Y521 HydrophobicContact CG-CE1 3.65Å; L376-Y521 HydrophobicContact CG-CE2 4.18Å; A482-Y521 HydrophobicContact CB-CD2 4.15Å; A482-Y521 HydrophobicContact CB-CE2 4.08Å; A482-Y521 WeakPolarHBondContact O-CD2 3.47Å; L485-Y521 HydrophobicContact CB-CD2 4.13Å; K486-Y521 HydrophobicContact CB-CD2 4.38Å; K486-Y521 HydrophobicContact CB-CE2 4.06Å; I489-Y521 HydrophobicContact CD1-CD2 4.41Å; I489-Y521 HydrophobicContact CD1-CG 4.38Å; V517-Y521 HydrophobicContact CG1-CD1 3.81Å; V517-Y521 HydrophobicContact CG1-CE1 3.46Å; V517-Y521 VanDerWaalsContact CG1-CE1 3.46Å; V517-Y521 HydrophobicContact CG1-CE2 4.38Å; V517-Y521 HydrophobicContact CG1-CG 4.42Å; V517-Y521 WeakPolarHBondContact O-CD1 3.21Å; V517-Y521 PolarHBondContact O-N 3.08Å; I518-Y521 PolarHBondContact O-N 3.32Å; Y521-N524 PolarHBondContact O-N 3.42Å; Y521-L525 WeakPolarHBondContact O-CB 3.35Å; Y521-L525 PolarHBondContact O-N 3.38Å |
| 522 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L485 L507 L510 L511 I518 R519 L525 I526 | L485-A522 HydrophobicContact CD1-CB 4.43Å; L507-A522 HydrophobicContact CD1-CB 3.82Å; L510-A522 HydrophobicContact CB-CB 3.9Å; L511-A522 HydrophobicContact CD2-CB 3.87Å; L511-A522 HydrophobicContact CG-CB 4.48Å; I518-A522 VanDerWaalsContact O-CB 3.29Å; I518-A522 WeakPolarHBondContact O-CB 3.23Å; I518-A522 PolarHBondContact O-N 3.14Å; R519-A522 PolarHBondContact O-N 2.81Å; A522-L525 PolarHBondContact O-N 3.32Å; A522-I526 WeakPolarHBondContact O-CG1 3.4Å; A522-I526 PolarHBondContact O-N 3.18Å |
| 523 | A | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L511 R519 M520 L525 I526 E527 L559 C577 | L511-A523 HydrophobicContact CD2-CB 4.06Å; R519-A523 WeakPolarHBondContact O-CB 3.32Å; R519-A523 PolarHBondContact O-N 3.12Å; M520-A523 PolarHBondContact O-N 2.83Å; A523-L525 PolarHBondContact O-N 2.81Å; A523-I526 PolarHBondContact O-N 2.58Å; A523-E527 WeakPolarHBondContact O-CB 3.47Å; A523-E527 PolarHBondContact O-N 3.11Å; A523-L559 HydrophobicContact CB-CD2 4.09Å; A523-C577 HydrophobicContact CB-CB 4.15Å |
| 524 | N | 94.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.027 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 178 | -171 | 62.4 | 0 | 0 | 0 | 112.2 | L376 I489 M520 Y521 H528 Y573 | L376-N524 HydrophobicContact CD1-CB 4.39Å; I489-N524 HydrophobicContact CD1-CB 4.39Å; M520-N524 WeakPolarHBondContact O-CB 3.25Å; M520-N524 PolarHBondContact O-N 2.9Å; Y521-N524 PolarHBondContact O-N 3.42Å; N524-H528 PolarHBondContact O-CD2 3.07Å; N524-H528 PolarHBondContact O-N 3.32Å; N524-H528 VanDerWaalsContact O-N 3.09Å; N524-H528 PolarHBondContact OD1-NE2 3.22Å; N524-Y573 HydrophobicContact CB-CD1 3.75Å; N524-Y573 HydrophobicContact CB-CE1 4.33Å; N524-Y573 HydrophobicContact CB-CG 4.35Å; N524-Y573 WeakPolarHBondContact OD1-CD1 3.19Å |
| 525 | L | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 176.1 | -179.1 | 55.8 | 0 | 0 | 0 | 111.2 | L485 L488 I489 R492 L507 Y521 A522 A523 E527 H528 L529 | L485-L525 HydrophobicContact CD2-CD2 4.05Å; L488-L525 HydrophobicContact CB-CD1 4.29Å; L488-L525 HydrophobicContact CB-CD2 3.84Å; L488-L525 HydrophobicContact CD1-CD2 4.16Å; I489-L525 HydrophobicContact CD1-CB 4.47Å; I489-L525 HydrophobicContact CG1-CB 3.83Å; I489-L525 HydrophobicContact CG1-CD1 4.09Å; I489-L525 HydrophobicContact CG1-CG 4.45Å; R492-L525 HydrophobicContact CB-CD1 4.38Å; L507-L525 HydrophobicContact CD1-CB 4.48Å; L507-L525 HydrophobicContact CD1-CD2 3.94Å; L507-L525 HydrophobicContact CD2-CD2 3.93Å; L507-L525 HydrophobicContact CD2-CG 4.08Å; Y521-L525 WeakPolarHBondContact O-CB 3.35Å; Y521-L525 PolarHBondContact O-N 3.38Å; A522-L525 PolarHBondContact O-N 3.32Å; A523-L525 PolarHBondContact O-N 2.81Å; L525-E527 VanDerWaalsContact C-N 3.34Å; L525-E527 PolarHBondContact O-N 2.93Å; L525-H528 PolarHBondContact O-N 2.75Å; L525-L529 HydrophobicContact CD1-CD1 4.31Å; L525-L529 HydrophobicContact CD1-CD2 4.44Å; L525-L529 HydrophobicContact CD1-CG 4.12Å; L525-L529 HydrophobicContact CG-CD1 4.11Å; L525-L529 HydrophobicContact CG-CG 4.38Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.38Å; L525-L529 PolarHBondContact O-N 3.36Å |
| 526 | I | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 177.9 | -68.1 | 170.2 | 0 | 0 | 0 | 110.6 | L507 L511 A522 A523 H528 L529 L530 F548 I555 C577 | L507-I526 HydrophobicContact CD2-CD1 4.37Å; L507-I526 HydrophobicContact CD2-CG1 3.58Å; L507-I526 HydrophobicContact CG-CD1 4.12Å; L507-I526 HydrophobicContact CG-CG1 3.84Å; L511-I526 HydrophobicContact CD1-CD1 3.79Å; L511-I526 HydrophobicContact CD2-CD1 4.13Å; L511-I526 HydrophobicContact CG-CD1 4.15Å; A522-I526 WeakPolarHBondContact O-CG1 3.4Å; A522-I526 PolarHBondContact O-N 3.18Å; A523-I526 PolarHBondContact O-N 2.58Å; I526-H528 VanDerWaalsContact C-N 3.32Å; I526-H528 PolarHBondContact O-N 2.82Å; I526-L529 PolarHBondContact O-N 2.92Å; I526-L530 HydrophobicContact CG2-CD1 4.06Å; I526-L530 HydrophobicContact CG2-CG 4.49Å; I526-L530 WeakPolarHBondContact O-CG 3.29Å; I526-L530 PolarHBondContact O-N 3.36Å; I526-L530 VanDerWaalsContact O-N 3.14Å; I526-F548 HydrophobicContact CG2-CE1 4.1Å; I526-I555 HydrophobicContact CD1-CD1 4.41Å; I526-C577 VanDerWaalsContact CG2-SG 3.6Å |
| 527 | E | 94.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52.1 | -51.9 | 177.1 | -176.9 | -157.7 | 155.1 | 0 | 0 | 111.2 | A523 L525 L529 L530 R576 C577 Q580 | A523-E527 WeakPolarHBondContact O-CB 3.47Å; A523-E527 PolarHBondContact O-N 3.11Å; L525-E527 VanDerWaalsContact C-N 3.34Å; L525-E527 PolarHBondContact O-N 2.93Å; E527-L529 PolarHBondContact O-N 3.4Å; E527-L530 PolarHBondContact O-N 3Å; E527-R576 VanDerWaalsContact CD-CB 3.46Å; E527-R576 VanDerWaalsContact CD-NE 3.34Å; E527-R576 VanDerWaalsContact CD-NH2 3.28Å; E527-R576 HydrophobicContact CG-CB 4.29Å; E527-R576 IonicContact OE1-CZ 2.68Å; E527-R576 IonicContact OE1-NE 3.18Å; E527-R576 PolarHBondContact OE1-NE 2.92Å; E527-R576 IonicContact OE1-NH2 3.85Å; E527-R576 PolarHBondContact OE1-NH2 3.47Å; E527-R576 WeakPolarHBondContact OE2-CB 3.45Å; E527-R576 IonicContact OE2-CZ 2.82Å; E527-R576 VanDerWaalsContact OE2-CZ 3.26Å; E527-R576 IonicContact OE2-NE 3.3Å; E527-R576 PolarHBondContact OE2-NE 3.33Å; E527-R576 IonicContact OE2-NH2 3.35Å; E527-R576 PolarHBondContact OE2-NH2 3.45Å; E527-C577 HydrophobicContact CB-CB 4.13Å; E527-Q580 HydrophobicContact CG-CB 4.21Å |
| 528 | H | 93.7 | Very high | 91.9 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 6% | 0.06 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -36.6 | -178.2 | -75.5 | -63.5 | 0 | 0 | 0 | 113.2 | R492 N524 L525 I526 L530 V531 L532 | R492-H528 VanDerWaalsContact CD-CB 3.41Å; R492-H528 PolarHBondContact NH2-CE1 2.93Å; R492-H528 PolarHBondContact NH2-ND1 3.07Å; N524-H528 PolarHBondContact O-CD2 3.07Å; N524-H528 PolarHBondContact O-N 3.32Å; N524-H528 VanDerWaalsContact O-N 3.09Å; N524-H528 PolarHBondContact OD1-NE2 3.22Å; L525-H528 PolarHBondContact O-N 2.75Å; I526-H528 VanDerWaalsContact C-N 3.32Å; I526-H528 PolarHBondContact O-N 2.82Å; H528-L530 PolarHBondContact O-N 3.36Å; H528-V531 PolarHBondContact O-N 2.89Å; H528-V531 VanDerWaalsContact O-N 3.09Å; H528-L532 PolarHBondContact O-N 3.42Å |
| 529 | L | 95.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -36.6 | 175.9 | -70.3 | 174.4 | 0 | 0 | 0 | 111.6 | I500 L507 L525 I526 E527 V531 L532 Y543 F548 | I500-L529 HydrophobicContact CD1-CD2 4.46Å; I500-L529 HydrophobicContact CG1-CD2 4.43Å; I500-L529 HydrophobicContact CG2-CD1 3.67Å; I500-L529 HydrophobicContact CG2-CD2 3.94Å; I500-L529 HydrophobicContact CG2-CG 4.44Å; L507-L529 HydrophobicContact CD2-CD1 4.17Å; L525-L529 HydrophobicContact CD1-CD1 4.31Å; L525-L529 HydrophobicContact CD1-CD2 4.44Å; L525-L529 HydrophobicContact CD1-CG 4.12Å; L525-L529 HydrophobicContact CG-CD1 4.11Å; L525-L529 HydrophobicContact CG-CG 4.38Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.38Å; L525-L529 PolarHBondContact O-N 3.36Å; I526-L529 PolarHBondContact O-N 2.92Å; E527-L529 PolarHBondContact O-N 3.4Å; L529-V531 PolarHBondContact O-N 3.34Å; L529-L532 HydrophobicContact CD2-CD1 4.07Å; L529-L532 PolarHBondContact O-N 3.48Å; L529-Y543 HydrophobicContact CB-CD2 4.3Å; L529-Y543 HydrophobicContact CD2-CD2 4.32Å; L529-Y543 HydrophobicContact CD2-CE2 3.79Å; L529-Y543 WeakPolarHBondContact O-CD2 3.37Å; L529-F548 HydrophobicContact CB-CZ 4.43Å |
| 530 | L | 93.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -11.8 | 178.1 | -65.9 | 169.9 | 0 | 0 | 0 | 114 | I526 E527 H528 F548 Q580 L581 V584 F585 | I526-L530 HydrophobicContact CG2-CD1 4.06Å; I526-L530 HydrophobicContact CG2-CG 4.49Å; I526-L530 WeakPolarHBondContact O-CG 3.29Å; I526-L530 PolarHBondContact O-N 3.36Å; I526-L530 VanDerWaalsContact O-N 3.14Å; E527-L530 PolarHBondContact O-N 3Å; H528-L530 PolarHBondContact O-N 3.36Å; L530-F548 HydrophobicContact CD2-CD1 4.43Å; L530-F548 HydrophobicContact CD2-CD2 4.02Å; L530-F548 HydrophobicContact CD2-CE1 4.28Å; L530-F548 HydrophobicContact CD2-CE2 3.84Å; L530-F548 HydrophobicContact CD2-CG 4.31Å; L530-F548 HydrophobicContact CD2-CZ 3.98Å; L530-F548 HydrophobicContact CG-CZ 4.4Å; L530-Q580 HydrophobicContact CB-CG 3.72Å; L530-Q580 HydrophobicContact CD1-CG 4.13Å; L530-Q580 PolarHBondContact O-NE2 3.12Å; L530-L581 HydrophobicContact CD1-CB 4.2Å; L530-L581 HydrophobicContact CD1-CD1 3.69Å; L530-L581 HydrophobicContact CD2-CD1 4.41Å; L530-V584 HydrophobicContact CB-CG2 4.35Å; L530-F585 HydrophobicContact CD2-CE2 3.59Å; L530-F585 HydrophobicContact CD2-CZ 4.05Å |
| 531 | V | 90.1 | Very high | 90.9 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 13% | 0.127 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -17.9 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | K447 H528 L529 R533 Q580 | K447-V531 HydrophobicContact CG-CG1 4.37Å; H528-V531 PolarHBondContact O-N 2.89Å; H528-V531 VanDerWaalsContact O-N 3.09Å; L529-V531 PolarHBondContact O-N 3.34Å; V531-R533 PolarHBondContact O-NH1 3.42Å; V531-Q580 HydrophobicContact CG2-CG 4.11Å |
| 532 | L | 91.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -65.7 | 144.4 | -177.8 | -64.5 | 178.3 | 0 | 0 | 0 | 112.5 | F448 R492 N493 H528 L529 M542 Y543 | F448-L532 HydrophobicContact CD1-CD2 4.09Å; R492-L532 HydrophobicContact CB-CD1 4.4Å; R492-L532 WeakPolarHBondContact O-CD1 3.41Å; N493-L532 HydrophobicContact CB-CD2 4.08Å; H528-L532 PolarHBondContact O-N 3.42Å; L529-L532 HydrophobicContact CD2-CD1 4.07Å; L529-L532 PolarHBondContact O-N 3.48Å; L532-M542 HydrophobicContact CB-CB 4Å; L532-M542 HydrophobicContact CB-SD 4.18Å; L532-M542 HydrophobicContact CD1-SD 4.21Å; L532-M542 PolarHBondContact O-N 3.08Å; L532-Y543 HydrophobicContact CD1-CE2 4.06Å | ||
| 533 | R | 90.5 | Very high | 90.4 | Very high | 97 Ų | 97 | 42 Ų | 42 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -114.5 | 153.1 | 179.5 | -62.1 | -60.5 | -173.9 | -101.6 | 0.5 | 110.6 | V531 A538 T540 | V531-R533 PolarHBondContact O-NH1 3.42Å; R533-A538 WeakPolarHBondContact CB-O 3.17Å; R533-A538 WeakPolarHBondContact CD-O 3.35Å; R533-A538 VanDerWaalsContact CG-O 3.27Å; R533-A538 WeakPolarHBondContact CG-O 3.38Å; R533-T540 CarbonylContact C-O 3.59Å; R533-T540 WeakPolarHBondContact CA-O 3.38Å |
| 534 | D | 86.5 | Confident | 89.9 | Confident | 56 Ų | 56 | 42.5 Ų | 42.5 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | -64.9 | 130.3 | 175.2 | -171.2 | -70.6 | 0 | 0 | 0 | 109.7 | V536 N537 A538 T540 | D534-V536 PolarHBondContact O-N 2.88Å; D534-V536 WeakPolarHBondContact OD1-CA 3.4Å; D534-V536 VanDerWaalsContact OD1-CB 3.26Å; D534-V536 WeakPolarHBondContact OD1-CB 3.32Å; D534-V536 PolarHBondContact OD1-N 3.11Å; D534-N537 CarbonylContact O-C 3.59Å; D534-N537 PolarHBondContact O-N 2.96Å; D534-N537 PolarHBondContact OD1-N 2.85Å; D534-A538 PolarHBondContact O-N 3.24Å; D534-T540 PolarHBondContact N-O 3.42Å | ||
| 535 | P | 82.3 | Confident | 89.3 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 79% | 0.792 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -67.2 | -20.6 | -177.7 | 25.5 | -33.5 | 0 | 0 | 0 | 113.7 | ||
| 536 | V | 84.6 | Confident | 88.9 | Confident | 139 Ų | 139 | 58.1 Ų | 58.1 | 84% | 0.842 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -86.1 | -35 | 176.2 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | D534 | D534-V536 PolarHBondContact O-N 2.88Å; D534-V536 WeakPolarHBondContact OD1-CA 3.4Å; D534-V536 VanDerWaalsContact OD1-CB 3.26Å; D534-V536 WeakPolarHBondContact OD1-CB 3.32Å; D534-V536 PolarHBondContact OD1-N 3.11Å |
| 537 | N | 85.6 | Confident | 88.6 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 40% | 0.401 | 32% | 0.316 | S | S | . | . | trans | -135.5 | 101.6 | 177.3 | -175.4 | 1.2 | 0 | 0 | 0 | 111.5 | D534 N539 T540 | D534-N537 CarbonylContact O-C 3.59Å; D534-N537 PolarHBondContact O-N 2.96Å; D534-N537 PolarHBondContact OD1-N 2.85Å; N537-N539 PolarHBondContact O-N 3.21Å; N537-N539 WeakPolarHBondContact OD1-CB 3.45Å; N537-N539 PolarHBondContact OD1-N 2.88Å; N537-N539 VanDerWaalsContact OD1-N 3.14Å; N537-T540 PolarHBondContact ND2-OG1 3.48Å; N537-T540 PolarHBondContact O-N 3.46Å | ||
| 538 | A | 82.8 | Confident | 88.5 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 56% | 0.562 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | R533 D534 T540 | R533-A538 WeakPolarHBondContact CB-O 3.17Å; R533-A538 WeakPolarHBondContact CD-O 3.35Å; R533-A538 VanDerWaalsContact CG-O 3.27Å; R533-A538 WeakPolarHBondContact CG-O 3.38Å; D534-A538 PolarHBondContact O-N 3.24Å; A538-T540 VanDerWaalsContact C-N 3.31Å; A538-T540 PolarHBondContact O-N 3.49Å |
| 539 | N | 84.3 | Confident | 88.2 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -6.7 | 178.5 | -66.9 | -22.5 | 0 | 0 | 0 | 113.7 | N537 | N537-N539 PolarHBondContact O-N 3.21Å; N537-N539 WeakPolarHBondContact OD1-CB 3.45Å; N537-N539 PolarHBondContact OD1-N 2.88Å; N537-N539 VanDerWaalsContact OD1-N 3.14Å |
| 540 | T | 88.4 | Confident | 88 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -103.5 | 130 | -178.7 | -53.1 | 0 | 0 | 0 | 0 | 110.2 | R533 D534 N537 A538 | R533-T540 CarbonylContact C-O 3.59Å; R533-T540 WeakPolarHBondContact CA-O 3.38Å; D534-T540 PolarHBondContact N-O 3.42Å; N537-T540 PolarHBondContact ND2-OG1 3.48Å; N537-T540 PolarHBondContact O-N 3.46Å; A538-T540 VanDerWaalsContact C-N 3.31Å; A538-T540 PolarHBondContact O-N 3.49Å |
| 541 | P | 89.8 | Confident | 88 | Confident | 59 Ų | 59 | 70.3 Ų | 70.3 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 135.7 | 174.2 | 28 | -33.8 | 0 | 0 | 0 | 110.6 | Y543 | P541-Y543 VanDerWaalsContact C-N 3.29Å; P541-Y543 PolarHBondContact O-N 3.21Å |
| 542 | M | 89.8 | Confident | 88 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -64.5 | -39.2 | 178 | -174.7 | 177.7 | -178.8 | 0 | 0 | 111.3 | K497 L532 | K497-M542 HydrophobicContact CB-CE 4.1Å; K497-M542 WeakPolarHBondContact CE-O 3.5Å; K497-M542 PolarHBondContact NZ-O 3.24Å; L532-M542 HydrophobicContact CB-CB 4Å; L532-M542 HydrophobicContact CB-SD 4.18Å; L532-M542 HydrophobicContact CD1-SD 4.21Å; L532-M542 PolarHBondContact O-N 3.08Å |
| 543 | Y | 90.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 0% | 0.004 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -121.8 | 119.1 | 173.3 | -51.9 | -87.1 | 0 | 0 | 0 | 108.4 | K497 I500 L529 L532 P541 F548 | K497-Y543 HydrophobicContact CG-CE1 3.9Å; I500-Y543 HydrophobicContact CB-CE1 3.81Å; I500-Y543 WeakPolarHBondContact CB-OH 3.27Å; I500-Y543 VanDerWaalsContact CG1-OH 3.32Å; I500-Y543 WeakPolarHBondContact CG1-OH 3.25Å; I500-Y543 HydrophobicContact CG2-CD1 4.27Å; I500-Y543 HydrophobicContact CG2-CE1 3.5Å; L529-Y543 HydrophobicContact CB-CD2 4.3Å; L529-Y543 HydrophobicContact CD2-CD2 4.32Å; L529-Y543 HydrophobicContact CD2-CE2 3.79Å; L529-Y543 WeakPolarHBondContact O-CD2 3.37Å; L532-Y543 HydrophobicContact CD1-CE2 4.06Å; P541-Y543 VanDerWaalsContact C-N 3.29Å; P541-Y543 PolarHBondContact O-N 3.21Å; Y543-F548 HydrophobicContact CG-CE2 4.31Å |
| 544 | G | 85.9 | Confident | 88 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | trans | -122.6 | -155.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R546 E547 F548 | G544-R546 PolarHBondContact O-N 3.4Å; G544-E547 PolarHBondContact N-OE2 3.4Å; G544-E547 PolarHBondContact O-N 2.9Å; G544-F548 PolarHBondContact O-N 3.04Å | ||
| 545 | K | 83.5 | Confident | 88.4 | Confident | 111 Ų | 111 | 66.2 Ų | 66.2 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.1 | -38.2 | 178.7 | -173.3 | 173.2 | 176.2 | 178.6 | 0 | 111.4 | E547 F548 E549 F585 | K545-E547 VanDerWaalsContact C-N 3.32Å; K545-E547 PolarHBondContact O-N 3.44Å; K545-F548 PolarHBondContact O-N 2.96Å; K545-E549 WeakPolarHBondContact CE-OE1 3.08Å; K545-E549 HydrophobicContact CG-CB 4.07Å; K545-E549 IonicContact NZ-OE1 3.43Å; K545-E549 WeakPolarHBondContact O-CA 3.22Å; K545-E549 WeakPolarHBondContact O-CB 3Å; K545-E549 PolarHBondContact O-N 3.22Å; K545-F585 HydrophobicContact CB-CE1 4.06Å |
| 546 | R | 87.6 | Confident | 89 | Confident | 222 Ų | 222 | 60.5 Ų | 60.5 | 84% | 0.838 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -55.3 | -43.9 | -178.4 | -176.7 | -177.5 | -179.3 | -178.8 | -0.5 | 113.2 | G544 | G544-R546 PolarHBondContact O-N 3.4Å |
| 547 | E | 90.5 | Very high | 89.3 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -85.1 | -37.5 | -177.6 | -64.3 | 77 | -166.4 | 0 | 0 | 112.3 | K497 V501 L504 G544 K545 | K497-E547 VanDerWaalsContact CE-OE1 3.3Å; K497-E547 WeakPolarHBondContact CE-OE1 3.28Å; K497-E547 IonicContact NZ-OE1 3.67Å; K497-E547 PolarHBondContact NZ-OE1 2.82Å; V501-E547 HydrophobicContact CG2-CB 4.49Å; V501-E547 HydrophobicContact CG2-CG 3.9Å; L504-E547 HydrophobicContact CD1-CB 4.26Å; G544-E547 PolarHBondContact N-OE2 3.4Å; G544-E547 PolarHBondContact O-N 2.9Å; K545-E547 VanDerWaalsContact C-N 3.32Å; K545-E547 PolarHBondContact O-N 3.44Å |
| 548 | F | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -90.8 | -23.2 | -173.1 | -87.5 | -86.9 | 0 | 0 | 0 | 115 | L504 I526 L529 L530 Y543 G544 K545 P550 Y551 I552 I555 F585 | L504-F548 HydrophobicContact CD2-CD1 4.45Å; L504-F548 HydrophobicContact CD2-CE1 3.78Å; L504-F548 HydrophobicContact CD2-CE2 4.35Å; L504-F548 HydrophobicContact CD2-CZ 3.73Å; I526-F548 HydrophobicContact CG2-CE1 4.1Å; L529-F548 HydrophobicContact CB-CZ 4.43Å; L530-F548 HydrophobicContact CD2-CD1 4.43Å; L530-F548 HydrophobicContact CD2-CD2 4.02Å; L530-F548 HydrophobicContact CD2-CE1 4.28Å; L530-F548 HydrophobicContact CD2-CE2 3.84Å; L530-F548 HydrophobicContact CD2-CG 4.31Å; L530-F548 HydrophobicContact CD2-CZ 3.98Å; L530-F548 HydrophobicContact CG-CZ 4.4Å; Y543-F548 HydrophobicContact CG-CE2 4.31Å; G544-F548 PolarHBondContact O-N 3.04Å; K545-F548 PolarHBondContact O-N 2.96Å; F548-P550 VanDerWaalsContact C-N 3.35Å; F548-P550 VanDerWaalsContact O-N 3.12Å; F548-Y551 WeakPolarHBondContact O-CA 3.44Å; F548-Y551 WeakPolarHBondContact O-CB 3.41Å; F548-Y551 PolarHBondContact O-N 3.16Å; F548-I552 HydrophobicContact CB-CG1 4.1Å; F548-I552 VanDerWaalsContact O-CG1 3.28Å; F548-I552 WeakPolarHBondContact O-CG1 3.37Å; F548-I552 PolarHBondContact O-N 3.09Å; F548-I552 VanDerWaalsContact O-N 3.13Å; F548-I555 HydrophobicContact CD1-CD1 3.99Å; F548-I555 HydrophobicContact CE1-CD1 4.13Å; F548-F585 HydrophobicContact CB-CE2 3.84Å; F548-F585 HydrophobicContact CB-CZ 3.63Å; F548-F585 HydrophobicContact CD2-CZ 4.38Å; F548-F585 HydrophobicContact CG-CE2 4.18Å; F548-F585 HydrophobicContact CG-CZ 4.15Å |
| 549 | E | 88.2 | Confident | 90.3 | Very high | 110 Ų | 110 | 52.4 Ų | 52.4 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | -43.6 | -171.6 | 176.1 | 165.5 | -139.3 | 0 | 0 | 115.3 | K545 Y551 | K545-E549 WeakPolarHBondContact CE-OE1 3.08Å; K545-E549 HydrophobicContact CG-CB 4.07Å; K545-E549 IonicContact NZ-OE1 3.43Å; K545-E549 WeakPolarHBondContact O-CA 3.22Å; K545-E549 WeakPolarHBondContact O-CB 3Å; K545-E549 PolarHBondContact O-N 3.22Å; E549-Y551 PolarHBondContact O-N 2.88Å; E549-Y551 VanDerWaalsContact O-N 3.13Å |
| 550 | P | 90.3 | Very high | 90.6 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -20.4 | 177.5 | -21.2 | 33.5 | 0 | 0 | 0 | 114.3 | F548 | F548-P550 VanDerWaalsContact C-N 3.35Å; F548-P550 VanDerWaalsContact O-N 3.12Å |
| 551 | Y | 92.8 | Very high | 90.7 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -17.4 | -168.2 | -50.8 | -66.4 | 0 | 0 | 0 | 113.6 | L504 P505 V508 F548 E549 G553 T554 I555 | L504-Y551 HydrophobicContact CB-CD2 4.33Å; L504-Y551 HydrophobicContact CB-CE2 4Å; L504-Y551 HydrophobicContact CD1-CD2 4.45Å; L504-Y551 HydrophobicContact CD1-CE2 4.3Å; P505-Y551 HydrophobicContact CB-CE1 3.98Å; V508-Y551 HydrophobicContact CG2-CD1 4.09Å; V508-Y551 HydrophobicContact CG2-CG 4.04Å; F548-Y551 WeakPolarHBondContact O-CA 3.44Å; F548-Y551 WeakPolarHBondContact O-CB 3.41Å; F548-Y551 PolarHBondContact O-N 3.16Å; E549-Y551 PolarHBondContact O-N 2.88Å; E549-Y551 VanDerWaalsContact O-N 3.13Å; Y551-G553 PolarHBondContact O-N 2.97Å; Y551-T554 WeakPolarHBondContact O-CB 3.3Å; Y551-T554 PolarHBondContact O-N 3.48Å; Y551-T554 VanDerWaalsContact O-N 3.11Å; Y551-I555 VanDerWaalsContact O-CG1 3.28Å; Y551-I555 WeakPolarHBondContact O-CG1 3.45Å; Y551-I555 PolarHBondContact O-N 3.28Å |
| 552 | I | 90.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.2 | -51.7 | -171 | -51.4 | 171.8 | 0 | 0 | 0 | 111.7 | F548 T554 I555 I556 L581 F585 Q588 | F548-I552 HydrophobicContact CB-CG1 4.1Å; F548-I552 VanDerWaalsContact O-CG1 3.28Å; F548-I552 WeakPolarHBondContact O-CG1 3.37Å; F548-I552 PolarHBondContact O-N 3.09Å; F548-I552 VanDerWaalsContact O-N 3.13Å; I552-T554 VanDerWaalsContact C-N 3.3Å; I552-T554 PolarHBondContact O-N 2.96Å; I552-I555 PolarHBondContact O-N 2.64Å; I552-I556 HydrophobicContact CG2-CD1 3.98Å; I552-I556 HydrophobicContact CG2-CG1 4.48Å; I552-I556 WeakPolarHBondContact O-CG1 3.36Å; I552-I556 PolarHBondContact O-N 3.15Å; I552-L581 HydrophobicContact CG2-CD1 4.26Å; I552-L581 HydrophobicContact CG2-CD2 4.16Å; I552-L581 HydrophobicContact CG2-CG 4.15Å; I552-F585 HydrophobicContact CD1-CB 4.06Å; I552-F585 HydrophobicContact CD1-CD1 3.77Å; I552-F585 HydrophobicContact CD1-CD2 3.73Å; I552-F585 HydrophobicContact CD1-CE1 4.11Å; I552-F585 HydrophobicContact CD1-CE2 4.05Å; I552-F585 HydrophobicContact CD1-CG 3.58Å; I552-F585 HydrophobicContact CD1-CZ 4.24Å; I552-F585 HydrophobicContact CG1-CD2 4.02Å; I552-F585 HydrophobicContact CG1-CE2 4.18Å; I552-F585 HydrophobicContact CG1-CG 4.37Å; I552-F585 HydrophobicContact CG2-CB 4.32Å; I552-F585 HydrophobicContact CG2-CD2 4.12Å; I552-F585 HydrophobicContact CG2-CG 4.48Å; I552-Q588 VanDerWaalsContact CG2-OE1 3.26Å |
| 553 | G | 90.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 24% | 0.237 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -38.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y551 T557 | Y551-G553 PolarHBondContact O-N 2.97Å; G553-T557 WeakPolarHBondContact O-CB 3.37Å; G553-T557 PolarHBondContact O-N 3.24Å; G553-T557 PolarHBondContact O-OG1 2.97Å |
| 554 | T | 93.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 176.4 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | V508 Y551 I552 T557 H558 | V508-T554 HydrophobicContact CG1-CG2 3.68Å; Y551-T554 WeakPolarHBondContact O-CB 3.3Å; Y551-T554 PolarHBondContact O-N 3.48Å; Y551-T554 VanDerWaalsContact O-N 3.11Å; I552-T554 VanDerWaalsContact C-N 3.3Å; I552-T554 PolarHBondContact O-N 2.96Å; T554-T557 PolarHBondContact O-N 3.03Å; T554-H558 WeakPolarHBondContact CG2-CE1 3.03Å; T554-H558 WeakPolarHBondContact O-CB 3.49Å; T554-H558 VanDerWaalsContact O-CG 3.29Å; T554-H558 PolarHBondContact O-N 3.19Å; T554-H558 PolarHBondContact O-ND1 2.93Å |
| 555 | I | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 177.7 | -66.2 | 164.9 | 0 | 0 | 0 | 110.1 | V508 L511 I526 F548 Y551 I552 T557 H558 L559 L581 | V508-I555 HydrophobicContact CG1-CG1 4.14Å; V508-I555 HydrophobicContact CG2-CD1 3.97Å; V508-I555 HydrophobicContact CG2-CG1 3.78Å; L511-I555 HydrophobicContact CD1-CB 4.33Å; L511-I555 HydrophobicContact CD1-CG1 4.18Å; L511-I555 HydrophobicContact CD1-CG2 3.94Å; I526-I555 HydrophobicContact CD1-CD1 4.41Å; F548-I555 HydrophobicContact CD1-CD1 3.99Å; F548-I555 HydrophobicContact CE1-CD1 4.13Å; Y551-I555 VanDerWaalsContact O-CG1 3.28Å; Y551-I555 WeakPolarHBondContact O-CG1 3.45Å; Y551-I555 PolarHBondContact O-N 3.28Å; I552-I555 PolarHBondContact O-N 2.64Å; I555-T557 VanDerWaalsContact C-N 3.3Å; I555-T557 PolarHBondContact O-N 3.41Å; I555-H558 PolarHBondContact O-N 2.74Å; I555-L559 HydrophobicContact CG2-CD1 3.6Å; I555-L559 HydrophobicContact CG2-CG 4.12Å; I555-L559 WeakPolarHBondContact O-CB 3.48Å; I555-L559 VanDerWaalsContact O-CG 3.3Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 3.34Å; I555-L581 HydrophobicContact CB-CD2 4.11Å; I555-L581 HydrophobicContact CG2-CD2 3.66Å |
| 556 | I | 93.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 177.4 | -64.8 | 169 | 0 | 0 | 0 | 109.6 | I552 H558 L559 S560 L578 L581 Q588 V592 L596 | I552-I556 HydrophobicContact CG2-CD1 3.98Å; I552-I556 HydrophobicContact CG2-CG1 4.48Å; I552-I556 WeakPolarHBondContact O-CG1 3.36Å; I552-I556 PolarHBondContact O-N 3.15Å; I556-H558 VanDerWaalsContact C-N 3.33Å; I556-H558 PolarHBondContact O-N 3.33Å; I556-L559 PolarHBondContact O-N 3.26Å; I556-S560 VanDerWaalsContact O-CB 3.25Å; I556-S560 WeakPolarHBondContact O-CB 3.37Å; I556-S560 PolarHBondContact O-N 3Å; I556-S560 PolarHBondContact O-OG 2.95Å; I556-L578 HydrophobicContact CG2-CD2 4.43Å; I556-L581 HydrophobicContact CD1-CD2 4.17Å; I556-L581 HydrophobicContact CG1-CD2 3.4Å; I556-L581 HydrophobicContact CG1-CG 4.46Å; I556-Q588 HydrophobicContact CD1-CG 3.68Å; I556-V592 HydrophobicContact CB-CG1 3.63Å; I556-V592 HydrophobicContact CD1-CG1 3.82Å; I556-V592 HydrophobicContact CG1-CG1 4.31Å; I556-V592 HydrophobicContact CG2-CG1 3.39Å; I556-L596 HydrophobicContact CG2-CB 4.3Å; I556-L596 HydrophobicContact CG2-CD2 4.1Å |
| 557 | T | 92.7 | Very high | 88.9 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | -179.9 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | G553 T554 I555 R561 | G553-T557 WeakPolarHBondContact O-CB 3.37Å; G553-T557 PolarHBondContact O-N 3.24Å; G553-T557 PolarHBondContact O-OG1 2.97Å; T554-T557 PolarHBondContact O-N 3.03Å; I555-T557 VanDerWaalsContact C-N 3.3Å; I555-T557 PolarHBondContact O-N 3.41Å; T557-R561 WeakPolarHBondContact O-CB 3.49Å; T557-R561 PolarHBondContact O-N 3.16Å |
| 558 | H | 93.8 | Very high | 88 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 18% | 0.181 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.7 | -47.1 | -179.3 | -72.7 | 37.6 | 0 | 0 | 0 | 111.4 | L511 V512 T554 I555 I556 R561 S562 | L511-H558 HydrophobicContact CB-CB 4Å; L511-H558 HydrophobicContact CD1-CB 4.31Å; V512-H558 HydrophobicContact CG1-CB 4.08Å; V512-H558 WeakPolarHBondContact CG1-CD2 3.23Å; T554-H558 WeakPolarHBondContact CG2-CE1 3.03Å; T554-H558 WeakPolarHBondContact O-CB 3.49Å; T554-H558 VanDerWaalsContact O-CG 3.29Å; T554-H558 PolarHBondContact O-N 3.19Å; T554-H558 PolarHBondContact O-ND1 2.93Å; I555-H558 PolarHBondContact O-N 2.74Å; I556-H558 VanDerWaalsContact C-N 3.33Å; I556-H558 PolarHBondContact O-N 3.33Å; H558-R561 PolarHBondContact O-N 2.86Å; H558-S562 PolarHBondContact O-N 3.05Å |
| 559 | L | 94.1 | Very high | 87.3 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 177.5 | -66.6 | 175.9 | 0 | 0 | 0 | 111.7 | L511 A523 I555 I556 R561 S562 T574 C577 L578 | L511-L559 HydrophobicContact CD1-CD2 4.33Å; L511-L559 HydrophobicContact CD1-CG 4.36Å; L511-L559 HydrophobicContact CD2-CD2 3.89Å; A523-L559 HydrophobicContact CB-CD2 4.09Å; I555-L559 HydrophobicContact CG2-CD1 3.6Å; I555-L559 HydrophobicContact CG2-CG 4.12Å; I555-L559 WeakPolarHBondContact O-CB 3.48Å; I555-L559 VanDerWaalsContact O-CG 3.3Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 3.34Å; I556-L559 PolarHBondContact O-N 3.26Å; L559-R561 PolarHBondContact O-N 3.46Å; L559-S562 WeakPolarHBondContact O-CB 3.47Å; L559-S562 PolarHBondContact O-N 3.42Å; L559-S562 VanDerWaalsContact O-N 3.12Å; L559-S562 PolarHBondContact O-OG 3.3Å; L559-T574 HydrophobicContact CB-CG2 4.1Å; L559-T574 HydrophobicContact CD2-CG2 4.02Å; L559-C577 HydrophobicContact CD1-CB 3.99Å; L559-L578 HydrophobicContact CB-CD1 4.04Å; L559-L578 HydrophobicContact CB-CD2 3.64Å; L559-L578 HydrophobicContact CB-CG 3.68Å; L559-L578 HydrophobicContact CD1-CD2 3.9Å; L559-L578 HydrophobicContact CD1-CG 3.86Å; L559-L578 HydrophobicContact CG-CD2 4.44Å; L559-L578 HydrophobicContact CG-CG 4.41Å |
| 560 | S | 92 | Very high | 87.2 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 178.3 | -45.3 | 0 | 0 | 0 | 0 | 110.5 | I556 S562 L563 L596 Q599 | I556-S560 VanDerWaalsContact O-CB 3.25Å; I556-S560 WeakPolarHBondContact O-CB 3.37Å; I556-S560 PolarHBondContact O-N 3Å; I556-S560 PolarHBondContact O-OG 2.95Å; S560-S562 VanDerWaalsContact C-N 3.27Å; S560-S562 PolarHBondContact O-N 2.77Å; S560-L563 VanDerWaalsContact O-CB 3.24Å; S560-L563 WeakPolarHBondContact O-CB 3.38Å; S560-L563 WeakPolarHBondContact O-CG 3.33Å; S560-L563 PolarHBondContact O-N 3.08Å; S560-L563 VanDerWaalsContact O-N 3.12Å; S560-L596 WeakPolarHBondContact OG-CD1 3.38Å; S560-Q599 PolarHBondContact O-OE1 3.38Å |
| 561 | R | 90.2 | Very high | 87.2 | Confident | 163 Ų | 163 | 43.5 Ų | 43.5 | 62% | 0.615 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -59.8 | -35.4 | 172 | -173.2 | 178.4 | -174 | 176.4 | 1.8 | 112.6 | T557 H558 L559 L563 T564 | T557-R561 WeakPolarHBondContact O-CB 3.49Å; T557-R561 PolarHBondContact O-N 3.16Å; H558-R561 PolarHBondContact O-N 2.86Å; L559-R561 PolarHBondContact O-N 3.46Å; R561-L563 PolarHBondContact O-N 3.1Å; R561-T564 PolarHBondContact O-N 3.45Å; R561-T564 VanDerWaalsContact O-N 3.11Å; R561-T564 PolarHBondContact O-OG1 3.19Å |
| 562 | S | 89.2 | Confident | 87 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -20.5 | 179 | 79.5 | 0 | 0 | 0 | 0 | 113.6 | H558 L559 S560 T564 M565 T568 T574 | H558-S562 PolarHBondContact O-N 3.05Å; L559-S562 WeakPolarHBondContact O-CB 3.47Å; L559-S562 PolarHBondContact O-N 3.42Å; L559-S562 VanDerWaalsContact O-N 3.12Å; L559-S562 PolarHBondContact O-OG 3.3Å; S560-S562 VanDerWaalsContact C-N 3.27Å; S560-S562 PolarHBondContact O-N 2.77Å; S562-T564 PolarHBondContact O-N 3.26Å; S562-M565 PolarHBondContact O-N 3.5Å; S562-T568 PolarHBondContact O-OG1 3.47Å; S562-T574 WeakPolarHBondContact OG-CG2 3.47Å |
| 563 | L | 88.4 | Confident | 87.1 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.2 | 175.6 | -55.1 | -179.2 | 0 | 0 | 0 | 112.9 | S560 R561 T569 T574 M575 L578 | S560-L563 VanDerWaalsContact O-CB 3.24Å; S560-L563 WeakPolarHBondContact O-CB 3.38Å; S560-L563 WeakPolarHBondContact O-CG 3.33Å; S560-L563 PolarHBondContact O-N 3.08Å; S560-L563 VanDerWaalsContact O-N 3.12Å; R561-L563 PolarHBondContact O-N 3.1Å; L563-T569 PolarHBondContact O-OG1 2.83Å; L563-T574 HydrophobicContact CD2-CG2 3.93Å; L563-M575 HydrophobicContact CD1-CE 3.73Å; L563-M575 HydrophobicContact CD2-CE 3.22Å; L563-M575 HydrophobicContact CD2-SD 4.11Å; L563-M575 HydrophobicContact CG-CE 4.08Å; L563-L578 HydrophobicContact CD1-CD1 4.33Å |
| 564 | T | 85.4 | Confident | 87.3 | Confident | 86 Ų | 86 | 41.8 Ų | 41.8 | 53% | 0.528 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -3.9 | 179.6 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | R561 S562 Q599 | R561-T564 PolarHBondContact O-N 3.45Å; R561-T564 VanDerWaalsContact O-N 3.11Å; R561-T564 PolarHBondContact O-OG1 3.19Å; S562-T564 PolarHBondContact O-N 3.26Å; T564-Q599 HydrophobicContact CG2-CG 4.48Å |
| 565 | M | 83 | Confident | 87.3 | Confident | 73 Ų | 73 | 39.1 Ų | 39.1 | 36% | 0.36 | 20% | 0.2 | S | C | . | . | trans | -90 | 125.6 | -177.9 | -62.7 | -179.8 | 70.3 | 0 | 0 | 111.5 | R519 S562 S567 T568 T569 | R519-M565 VanDerWaalsContact NH1-CE 3.32Å; R519-M565 PolarHBondContact NH1-SD 3.1Å; S562-M565 PolarHBondContact O-N 3.5Å; M565-S567 VanDerWaalsContact C-N 3.3Å; M565-S567 PolarHBondContact O-N 3.33Å; M565-S567 VanDerWaalsContact O-N 3.16Å; M565-T568 PolarHBondContact O-N 3.27Å; M565-T568 VanDerWaalsContact O-N 3.16Å; M565-T569 VanDerWaalsContact O-CA 3.29Å; M565-T569 WeakPolarHBondContact O-CA 3.44Å; M565-T569 WeakPolarHBondContact O-CB 3.43Å; M565-T569 PolarHBondContact O-N 3.14Å | ||
| 566 | E | 74.8 | Confident | 87.2 | Confident | 189 Ų | 189 | 41.2 Ų | 41.2 | 88% | 0.883 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -51.9 | -42.2 | -176.5 | -66.2 | -179.2 | 172.7 | 0 | 0 | 113.9 | T568 | E566-T568 VanDerWaalsContact C-N 3.35Å; E566-T568 PolarHBondContact O-N 2.97Å |
| 567 | S | 69 | Low | 87.3 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -73.8 | -16.1 | -175.8 | 56.1 | 0 | 0 | 0 | 0 | 115.8 | R519 M565 | R519-S567 PolarHBondContact NH2-OG 3.42Å; M565-S567 VanDerWaalsContact C-N 3.3Å; M565-S567 PolarHBondContact O-N 3.33Å; M565-S567 VanDerWaalsContact O-N 3.16Å |
| 568 | T | 70.4 | Confident | 87.4 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -135.8 | 14.4 | -178.1 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | P516 R519 M520 S562 M565 E566 E570 C571 | P516-T568 HydrophobicContact CB-CG2 3.73Å; R519-T568 VanDerWaalsContact NH1-CG2 3.32Å; R519-T568 PolarHBondContact NH1-OG1 3.46Å; M520-T568 HydrophobicContact CE-CG2 4.15Å; S562-T568 PolarHBondContact O-OG1 3.47Å; M565-T568 PolarHBondContact O-N 3.27Å; M565-T568 VanDerWaalsContact O-N 3.16Å; E566-T568 VanDerWaalsContact C-N 3.35Å; E566-T568 PolarHBondContact O-N 2.97Å; T568-E570 PolarHBondContact O-N 2.76Å; T568-E570 VanDerWaalsContact O-N 3.14Å; T568-C571 VanDerWaalsContact O-CB 3.27Å; T568-C571 WeakPolarHBondContact O-CB 3.44Å; T568-C571 PolarHBondContact O-N 3.27Å; T568-C571 VanDerWaalsContact O-N 3.16Å |
| 569 | T | 78.1 | Confident | 87.5 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 20% | 0.202 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.2 | -166.9 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | L563 M565 K603 | L563-T569 PolarHBondContact O-OG1 2.83Å; M565-T569 VanDerWaalsContact O-CA 3.29Å; M565-T569 WeakPolarHBondContact O-CA 3.44Å; M565-T569 WeakPolarHBondContact O-CB 3.43Å; M565-T569 PolarHBondContact O-N 3.14Å; T569-K603 WeakPolarHBondContact O-CE 2.99Å; T569-K603 WeakPolarHBondContact OG1-CE 3.46Å; T569-K603 PolarHBondContact OG1-NZ 3.26Å |
| 570 | E | 85.6 | Confident | 87.4 | Confident | 32 Ų | 32 | 37 Ų | 37 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 43.6 | 178.2 | -66.5 | 170.8 | -159.7 | 0 | 0 | 112.1 | T568 K603 V607 K613 F616 | T568-E570 PolarHBondContact O-N 2.76Å; T568-E570 VanDerWaalsContact O-N 3.14Å; E570-K603 VanDerWaalsContact CG-NZ 3.32Å; E570-K603 IonicContact OE1-NZ 2.8Å; E570-K603 PolarHBondContact OE1-NZ 3.18Å; E570-V607 HydrophobicContact CG-CG2 4.34Å; E570-K613 HydrophobicContact CB-CD 3.82Å; E570-K613 HydrophobicContact CB-CG 4.46Å; E570-K613 WeakPolarHBondContact O-CD 3.21Å; E570-K613 PolarHBondContact O-NZ 3.29Å; E570-F616 HydrophobicContact CB-CD1 3.92Å; E570-F616 HydrophobicContact CB-CD2 4.23Å; E570-F616 HydrophobicContact CB-CE1 4.17Å; E570-F616 HydrophobicContact CB-CE2 4.41Å; E570-F616 HydrophobicContact CB-CG 3.96Å; E570-F616 HydrophobicContact CB-CZ 4.39Å; E570-F616 HydrophobicContact CG-CD1 3.94Å; E570-F616 HydrophobicContact CG-CE1 3.82Å; E570-F616 HydrophobicContact CG-CG 4.48Å; E570-F616 HydrophobicContact CG-CZ 4.2Å |
| 571 | C | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -80.8 | 119.2 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 112 | T568 T574 M575 F616 | T568-C571 VanDerWaalsContact O-CB 3.27Å; T568-C571 WeakPolarHBondContact O-CB 3.44Å; T568-C571 PolarHBondContact O-N 3.27Å; T568-C571 VanDerWaalsContact O-N 3.16Å; C571-T574 PolarHBondContact O-N 2.89Å; C571-M575 PolarHBondContact O-N 3.06Å; C571-F616 WeakPolarHBondContact O-CD2 3.34Å | ||
| 572 | S | 89.8 | Confident | 87.6 | Confident | 32 Ų | 32 | 29.3 Ų | 29.3 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 179.5 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | T574 M575 R576 | S572-T574 VanDerWaalsContact C-N 3.33Å; S572-T574 PolarHBondContact O-N 3.27Å; S572-M575 PolarHBondContact O-N 3.45Å; S572-R576 VanDerWaalsContact O-CG 3.32Å; S572-R576 WeakPolarHBondContact O-CG 3.31Å; S572-R576 PolarHBondContact O-N 3.4Å |
| 573 | Y | 92.1 | Very high | 87.6 | Confident | 22 Ų | 22 | 31 Ų | 31 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 177.6 | -55.9 | -74.6 | 0 | 0 | 0 | 112.6 | A372 L376 M520 N524 C577 | A372-Y573 HydrophobicContact CB-CE2 4.01Å; A372-Y573 PolarHBondContact O-OH 3.17Å; L376-Y573 HydrophobicContact CD1-CE1 4.44Å; M520-Y573 HydrophobicContact CB-CD2 3.93Å; M520-Y573 HydrophobicContact CG-CD2 4.24Å; N524-Y573 HydrophobicContact CB-CD1 3.75Å; N524-Y573 HydrophobicContact CB-CE1 4.33Å; N524-Y573 HydrophobicContact CB-CG 4.35Å; N524-Y573 WeakPolarHBondContact OD1-CD1 3.19Å; Y573-C577 VanDerWaalsContact O-CB 3.25Å; Y573-C577 WeakPolarHBondContact O-CB 3.49Å; Y573-C577 PolarHBondContact O-N 2.86Å |
| 574 | T | 93.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 174.1 | -63.7 | 0 | 0 | 0 | 0 | 111 | L559 S562 L563 C571 S572 C577 L578 | L559-T574 HydrophobicContact CB-CG2 4.1Å; L559-T574 HydrophobicContact CD2-CG2 4.02Å; S562-T574 WeakPolarHBondContact OG-CG2 3.47Å; L563-T574 HydrophobicContact CD2-CG2 3.93Å; C571-T574 PolarHBondContact O-N 2.89Å; S572-T574 VanDerWaalsContact C-N 3.33Å; S572-T574 PolarHBondContact O-N 3.27Å; T574-C577 PolarHBondContact O-N 2.98Å; T574-L578 HydrophobicContact CG2-CD1 4.17Å; T574-L578 WeakPolarHBondContact O-CB 3.18Å; T574-L578 WeakPolarHBondContact O-CG 3.49Å; T574-L578 PolarHBondContact O-N 2.66Å |
| 575 | M | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69 | -38.6 | -178.4 | -75 | -58.9 | -176.4 | 0 | 0 | 112.8 | L563 C571 S572 L578 T579 L600 F616 F619 M620 T623 | L563-M575 HydrophobicContact CD1-CE 3.73Å; L563-M575 HydrophobicContact CD2-CE 3.22Å; L563-M575 HydrophobicContact CD2-SD 4.11Å; L563-M575 HydrophobicContact CG-CE 4.08Å; C571-M575 PolarHBondContact O-N 3.06Å; S572-M575 PolarHBondContact O-N 3.45Å; M575-L578 PolarHBondContact O-N 3.44Å; M575-L578 HydrophobicContact SD-CD1 4.17Å; M575-T579 WeakPolarHBondContact O-CB 3.5Å; M575-T579 PolarHBondContact O-N 2.94Å; M575-T579 PolarHBondContact O-OG1 2.92Å; M575-L600 HydrophobicContact CE-CD1 4.14Å; M575-F616 HydrophobicContact CB-CD2 4.48Å; M575-F616 HydrophobicContact CE-CE2 3.62Å; M575-F616 HydrophobicContact CE-CZ 3.61Å; M575-F616 HydrophobicContact CG-CD2 3.66Å; M575-F616 HydrophobicContact CG-CE2 3.36Å; M575-F616 HydrophobicContact CG-CZ 4.18Å; M575-F616 HydrophobicContact SD-CE2 4.38Å; M575-F619 HydrophobicContact CB-CB 3.68Å; M575-M620 HydrophobicContact CE-CB 4.27Å; M575-M620 HydrophobicContact CE-CG 4.17Å; M575-T623 PolarHBondContact O-OG1 2.99Å |
| 576 | R | 93.5 | Very high | 87.8 | Confident | 45 Ų | 45 | 33 Ų | 33 | 17% | 0.17 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 173.9 | -71.9 | 171.9 | 57.8 | -168.8 | -8.2 | 111.3 | E527 S572 L578 T579 Q580 F619 | E527-R576 VanDerWaalsContact CD-CB 3.46Å; E527-R576 VanDerWaalsContact CD-NE 3.34Å; E527-R576 VanDerWaalsContact CD-NH2 3.28Å; E527-R576 HydrophobicContact CG-CB 4.29Å; E527-R576 IonicContact OE1-CZ 2.68Å; E527-R576 IonicContact OE1-NE 3.18Å; E527-R576 PolarHBondContact OE1-NE 2.92Å; E527-R576 IonicContact OE1-NH2 3.85Å; E527-R576 PolarHBondContact OE1-NH2 3.47Å; E527-R576 WeakPolarHBondContact OE2-CB 3.45Å; E527-R576 IonicContact OE2-CZ 2.82Å; E527-R576 VanDerWaalsContact OE2-CZ 3.26Å; E527-R576 IonicContact OE2-NE 3.3Å; E527-R576 PolarHBondContact OE2-NE 3.33Å; E527-R576 IonicContact OE2-NH2 3.35Å; E527-R576 PolarHBondContact OE2-NH2 3.45Å; S572-R576 VanDerWaalsContact O-CG 3.32Å; S572-R576 WeakPolarHBondContact O-CG 3.31Å; S572-R576 PolarHBondContact O-N 3.4Å; R576-L578 PolarHBondContact O-N 3.46Å; R576-T579 PolarHBondContact O-N 3.5Å; R576-Q580 WeakPolarHBondContact O-CB 3.42Å; R576-Q580 PolarHBondContact O-N 2.92Å; R576-F619 HydrophobicContact CB-CD1 4.47Å; R576-F619 HydrophobicContact CG-CB 4.45Å; R576-F619 HydrophobicContact CG-CD1 3.69Å; R576-F619 HydrophobicContact CG-CD2 3.53Å; R576-F619 HydrophobicContact CG-CE1 3.69Å; R576-F619 HydrophobicContact CG-CE2 3.53Å; R576-F619 HydrophobicContact CG-CG 3.62Å; R576-F619 HydrophobicContact CG-CZ 3.62Å |
| 577 | C | 95.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 176.4 | -172 | 0 | 0 | 0 | 0 | 111.8 | A523 I526 E527 L559 Y573 T574 Q580 L581 | A523-C577 HydrophobicContact CB-CB 4.15Å; I526-C577 VanDerWaalsContact CG2-SG 3.6Å; E527-C577 HydrophobicContact CB-CB 4.13Å; L559-C577 HydrophobicContact CD1-CB 3.99Å; Y573-C577 VanDerWaalsContact O-CB 3.25Å; Y573-C577 WeakPolarHBondContact O-CB 3.49Å; Y573-C577 PolarHBondContact O-N 2.86Å; T574-C577 PolarHBondContact O-N 2.98Å; C577-Q580 PolarHBondContact O-N 2.89Å; C577-L581 WeakPolarHBondContact O-CB 3.4Å; C577-L581 PolarHBondContact O-N 3.5Å |
| 578 | L | 95.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 175.5 | -82.4 | 171.6 | 0 | 0 | 0 | 112.1 | I556 L559 L563 T574 M575 R576 Q580 L581 L582 L596 T623 | I556-L578 HydrophobicContact CG2-CD2 4.43Å; L559-L578 HydrophobicContact CB-CD1 4.04Å; L559-L578 HydrophobicContact CB-CD2 3.64Å; L559-L578 HydrophobicContact CB-CG 3.68Å; L559-L578 HydrophobicContact CD1-CD2 3.9Å; L559-L578 HydrophobicContact CD1-CG 3.86Å; L559-L578 HydrophobicContact CG-CD2 4.44Å; L559-L578 HydrophobicContact CG-CG 4.41Å; L563-L578 HydrophobicContact CD1-CD1 4.33Å; T574-L578 HydrophobicContact CG2-CD1 4.17Å; T574-L578 WeakPolarHBondContact O-CB 3.18Å; T574-L578 WeakPolarHBondContact O-CG 3.49Å; T574-L578 PolarHBondContact O-N 2.66Å; M575-L578 PolarHBondContact O-N 3.44Å; M575-L578 HydrophobicContact SD-CD1 4.17Å; R576-L578 PolarHBondContact O-N 3.46Å; L578-Q580 VanDerWaalsContact C-N 3.35Å; L578-Q580 PolarHBondContact O-N 2.62Å; L578-L581 PolarHBondContact O-N 2.88Å; L578-L582 WeakPolarHBondContact O-CG 3.46Å; L578-L582 PolarHBondContact O-N 3.38Å; L578-L596 HydrophobicContact CD1-CD1 4.21Å; L578-L596 HydrophobicContact CD2-CD1 4.36Å; L578-T623 HydrophobicContact CB-CG2 4.29Å |
| 579 | T | 94.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.7 | -50.3 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | M575 R576 L581 L582 N583 F619 E622 T623 M626 | M575-T579 WeakPolarHBondContact O-CB 3.5Å; M575-T579 PolarHBondContact O-N 2.94Å; M575-T579 PolarHBondContact O-OG1 2.92Å; R576-T579 PolarHBondContact O-N 3.5Å; T579-L581 PolarHBondContact O-N 3.16Å; T579-L582 PolarHBondContact O-N 3.43Å; T579-N583 WeakPolarHBondContact O-CB 3.2Å; T579-N583 PolarHBondContact O-N 3.45Å; T579-F619 PolarHBondContact OG1-O 3.25Å; T579-E622 HydrophobicContact CG2-CB 3.97Å; T579-T623 PolarHBondContact OG1-OG1 3.02Å; T579-M626 HydrophobicContact CG2-CG 3.98Å |
| 580 | Q | 93 | Very high | 89.6 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | -178.2 | -175 | 58.5 | 20.1 | 0 | 0 | 111.9 | E527 L530 V531 R576 C577 L578 N583 V584 | E527-Q580 HydrophobicContact CG-CB 4.21Å; L530-Q580 HydrophobicContact CB-CG 3.72Å; L530-Q580 HydrophobicContact CD1-CG 4.13Å; L530-Q580 PolarHBondContact O-NE2 3.12Å; V531-Q580 HydrophobicContact CG2-CG 4.11Å; R576-Q580 WeakPolarHBondContact O-CB 3.42Å; R576-Q580 PolarHBondContact O-N 2.92Å; C577-Q580 PolarHBondContact O-N 2.89Å; L578-Q580 VanDerWaalsContact C-N 3.35Å; L578-Q580 PolarHBondContact O-N 2.62Å; Q580-N583 PolarHBondContact O-N 2.97Å; Q580-V584 WeakPolarHBondContact O-CG2 3.27Å; Q580-V584 PolarHBondContact O-N 2.95Å |
| 581 | L | 93.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 178.2 | -166.5 | 75.1 | 0 | 0 | 0 | 111.8 | L530 I552 I555 I556 C577 L578 T579 N583 F585 | L530-L581 HydrophobicContact CD1-CB 4.2Å; L530-L581 HydrophobicContact CD1-CD1 3.69Å; L530-L581 HydrophobicContact CD2-CD1 4.41Å; I552-L581 HydrophobicContact CG2-CD1 4.26Å; I552-L581 HydrophobicContact CG2-CD2 4.16Å; I552-L581 HydrophobicContact CG2-CG 4.15Å; I555-L581 HydrophobicContact CB-CD2 4.11Å; I555-L581 HydrophobicContact CG2-CD2 3.66Å; I556-L581 HydrophobicContact CD1-CD2 4.17Å; I556-L581 HydrophobicContact CG1-CD2 3.4Å; I556-L581 HydrophobicContact CG1-CG 4.46Å; C577-L581 WeakPolarHBondContact O-CB 3.4Å; C577-L581 PolarHBondContact O-N 3.5Å; L578-L581 PolarHBondContact O-N 2.88Å; T579-L581 PolarHBondContact O-N 3.16Å; L581-N583 VanDerWaalsContact C-N 3.32Å; L581-F585 HydrophobicContact CD1-CD2 3.59Å; L581-F585 HydrophobicContact CD1-CE2 3.78Å; L581-F585 HydrophobicContact CG-CD2 4.16Å; L581-F585 WeakPolarHBondContact O-CA 3.4Å; L581-F585 WeakPolarHBondContact O-CB 3.37Å; L581-F585 PolarHBondContact O-N 3.22Å |
| 582 | L | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -35.3 | 173.8 | -69.1 | 178.9 | 0 | 0 | 0 | 112.2 | L578 T579 F585 R586 I593 L596 T623 M626 | L578-L582 WeakPolarHBondContact O-CG 3.46Å; L578-L582 PolarHBondContact O-N 3.38Å; T579-L582 PolarHBondContact O-N 3.43Å; L582-F585 CarbonylContact O-C 3.6Å; L582-R586 PolarHBondContact O-N 3.21Å; L582-I593 HydrophobicContact CD2-CD1 3.99Å; L582-L596 HydrophobicContact CD1-CD2 3.98Å; L582-L596 HydrophobicContact CD2-CD2 4.22Å; L582-L596 HydrophobicContact CG-CD2 4.47Å; L582-T623 HydrophobicContact CD1-CG2 4.1Å; L582-M626 HydrophobicContact CB-CB 3.99Å; L582-M626 HydrophobicContact CB-CE 4.44Å; L582-M626 HydrophobicContact CD1-CB 4.07Å |
| 583 | N | 90.3 | Very high | 89.5 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 22% | 0.219 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 178.8 | -173.1 | 33.7 | 0 | 0 | 0 | 112.2 | T579 Q580 L581 M626 | T579-N583 WeakPolarHBondContact O-CB 3.2Å; T579-N583 PolarHBondContact O-N 3.45Å; Q580-N583 PolarHBondContact O-N 2.97Å; L581-N583 VanDerWaalsContact C-N 3.32Å; N583-M626 VanDerWaalsContact CA-CE 3.42Å; N583-M626 HydrophobicContact CB-CE 3.94Å; N583-M626 HydrophobicContact CB-SD 4.22Å |
| 584 | V | 88.9 | Confident | 89.4 | Confident | 53 Ų | 53 | 37.9 Ų | 37.9 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -75 | -41.9 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | L530 Q580 | L530-V584 HydrophobicContact CB-CG2 4.35Å; Q580-V584 WeakPolarHBondContact O-CG2 3.27Å; Q580-V584 PolarHBondContact O-N 2.95Å |
| 585 | F | 87.4 | Confident | 89.3 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | trans | -117.6 | 74.2 | -175.2 | -52.1 | -62.3 | 0 | 0 | 0 | 112.1 | L530 K545 F548 I552 L581 L582 D587 Q588 | L530-F585 HydrophobicContact CD2-CE2 3.59Å; L530-F585 HydrophobicContact CD2-CZ 4.05Å; K545-F585 HydrophobicContact CB-CE1 4.06Å; F548-F585 HydrophobicContact CB-CE2 3.84Å; F548-F585 HydrophobicContact CB-CZ 3.63Å; F548-F585 HydrophobicContact CD2-CZ 4.38Å; F548-F585 HydrophobicContact CG-CE2 4.18Å; F548-F585 HydrophobicContact CG-CZ 4.15Å; I552-F585 HydrophobicContact CD1-CB 4.06Å; I552-F585 HydrophobicContact CD1-CD1 3.77Å; I552-F585 HydrophobicContact CD1-CD2 3.73Å; I552-F585 HydrophobicContact CD1-CE1 4.11Å; I552-F585 HydrophobicContact CD1-CE2 4.05Å; I552-F585 HydrophobicContact CD1-CG 3.58Å; I552-F585 HydrophobicContact CD1-CZ 4.24Å; I552-F585 HydrophobicContact CG1-CD2 4.02Å; I552-F585 HydrophobicContact CG1-CE2 4.18Å; I552-F585 HydrophobicContact CG1-CG 4.37Å; I552-F585 HydrophobicContact CG2-CB 4.32Å; I552-F585 HydrophobicContact CG2-CD2 4.12Å; I552-F585 HydrophobicContact CG2-CG 4.48Å; L581-F585 HydrophobicContact CD1-CD2 3.59Å; L581-F585 HydrophobicContact CD1-CE2 3.78Å; L581-F585 HydrophobicContact CG-CD2 4.16Å; L581-F585 WeakPolarHBondContact O-CA 3.4Å; L581-F585 WeakPolarHBondContact O-CB 3.37Å; L581-F585 PolarHBondContact O-N 3.22Å; L582-F585 CarbonylContact O-C 3.6Å; F585-D587 PolarHBondContact O-N 3.27Å; F585-D587 VanDerWaalsContact O-N 3.08Å; F585-Q588 PolarHBondContact O-NE2 3.35Å | ||
| 586 | R | 83.4 | Confident | 89.2 | Confident | 139 Ų | 139 | 40.6 Ų | 40.6 | 53% | 0.525 | 22% | 0.216 | S | C | . | . | trans | -63.2 | -16 | 179.2 | -58.1 | -178.5 | -173.1 | -177.6 | 0.7 | 114.2 | L582 | L582-R586 PolarHBondContact O-N 3.21Š| ||
| 587 | D | 82.6 | Confident | 89.2 | Confident | 101 Ų | 101 | 38.4 Ų | 38.4 | 54% | 0.54 | 21% | 0.208 | S | C | . | . | trans | -101.4 | 85.3 | -172.7 | -67 | 8 | 0 | 0 | 0 | 111.7 | F585 K634 | F585-D587 PolarHBondContact O-N 3.27Å; F585-D587 VanDerWaalsContact O-N 3.08Å; D587-K634 WeakPolarHBondContact OD1-CE 3.3Å; D587-K634 IonicContact OD1-NZ 3.94Å; D587-K634 PolarHBondContact OD1-NZ 2.83Å; D587-K634 IonicContact OD2-NZ 3.86Å | ||
| 588 | Q | 82.9 | Confident | 89.1 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | trans | -115.7 | 153.8 | 179.3 | -60.1 | -51 | -48 | 0 | 0 | 113.3 | I552 I556 F585 I593 | I552-Q588 VanDerWaalsContact CG2-OE1 3.26Å; I556-Q588 HydrophobicContact CD1-CG 3.68Å; F585-Q588 PolarHBondContact O-NE2 3.35Å; Q588-I593 HydrophobicContact CB-CD1 3.66Å; Q588-I593 HydrophobicContact CB-CG1 3.67Å; Q588-I593 HydrophobicContact CG-CD1 4.04Å | ||
| 589 | P | 81.4 | Confident | 89 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | trans | -55.8 | 143.6 | 170.1 | -25.2 | 36 | 0 | 0 | 0 | 112.6 | D591 V592 I593 | P589-D591 VanDerWaalsContact C-N 3.31Å; P589-D591 WeakPolarHBondContact CB-OD1 3.47Å; P589-D591 PolarHBondContact O-N 3.37Å; P589-V592 HydrophobicContact CB-CG2 4.19Å; P589-V592 HydrophobicContact CG-CG2 4.42Å; P589-V592 PolarHBondContact O-N 3.13Å; P589-I593 PolarHBondContact O-N 3.37Å | ||
| 590 | V | 83.9 | Confident | 89 | Confident | 93 Ų | 93 | 44.7 Ų | 44.7 | 56% | 0.564 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.4 | -36.1 | -174.1 | 177 | 0 | 0 | 0 | 0 | 112 | I593 S594 Y638 | V590-I593 PolarHBondContact O-N 3.16Å; V590-S594 VanDerWaalsContact O-CB 3.26Å; V590-S594 WeakPolarHBondContact O-CB 3.42Å; V590-S594 PolarHBondContact O-N 3.32Å; V590-Y638 HydrophobicContact CG1-CE1 4.15Å; V590-Y638 HydrophobicContact CG1-CE2 4.41Å; V590-Y638 PolarHBondContact O-OH 2.89Å |
| 591 | D | 86.8 | Confident | 89.1 | Confident | 106 Ų | 106 | 44.2 Ų | 44.2 | 57% | 0.567 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.4 | -42.6 | 177.4 | 57.8 | -50 | 0 | 0 | 0 | 112.6 | P589 S594 T595 | P589-D591 VanDerWaalsContact C-N 3.31Å; P589-D591 WeakPolarHBondContact CB-OD1 3.47Å; P589-D591 PolarHBondContact O-N 3.37Å; D591-S594 PolarHBondContact O-N 2.83Å; D591-T595 PolarHBondContact O-N 3.03Å; D591-T595 PolarHBondContact O-OG1 2.84Å |
| 592 | V | 88.1 | Confident | 89.1 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | I556 P589 S594 T595 L596 | I556-V592 HydrophobicContact CB-CG1 3.63Å; I556-V592 HydrophobicContact CD1-CG1 3.82Å; I556-V592 HydrophobicContact CG1-CG1 4.31Å; I556-V592 HydrophobicContact CG2-CG1 3.39Å; P589-V592 HydrophobicContact CB-CG2 4.19Å; P589-V592 HydrophobicContact CG-CG2 4.42Å; P589-V592 PolarHBondContact O-N 3.13Å; V592-S594 VanDerWaalsContact C-N 3.34Å; V592-S594 PolarHBondContact O-N 3.31Å; V592-T595 PolarHBondContact O-N 3.13Å; V592-L596 PolarHBondContact O-N 2.85Å |
| 593 | I | 88.6 | Confident | 89.2 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 178.1 | -64.2 | -59.2 | 0 | 0 | 0 | 111.5 | L582 Q588 P589 V590 T595 L596 S597 L627 V631 Y638 I642 | L582-I593 HydrophobicContact CD2-CD1 3.99Å; Q588-I593 HydrophobicContact CB-CD1 3.66Å; Q588-I593 HydrophobicContact CB-CG1 3.67Å; Q588-I593 HydrophobicContact CG-CD1 4.04Å; P589-I593 PolarHBondContact O-N 3.37Å; V590-I593 PolarHBondContact O-N 3.16Å; I593-T595 PolarHBondContact O-N 3.16Å; I593-L596 PolarHBondContact O-N 3.21Å; I593-S597 WeakPolarHBondContact O-CB 3.41Å; I593-S597 PolarHBondContact O-N 3.17Å; I593-S597 PolarHBondContact O-OG 3.01Å; I593-L627 HydrophobicContact CG2-CD1 3.7Å; I593-V631 HydrophobicContact CG2-CG2 3.7Å; I593-Y638 HydrophobicContact CB-CE1 4.27Å; I593-Y638 HydrophobicContact CG2-CE1 3.74Å; I593-Y638 WeakPolarHBondContact CG2-OH 3.43Å; I593-I642 HydrophobicContact CG2-CD1 4.25Å |
| 594 | S | 89.3 | Confident | 89.4 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 37% | 0.371 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.7 | -170 | 0 | 0 | 0 | 0 | 111.3 | V590 D591 V592 S597 Q598 Y638 | V590-S594 VanDerWaalsContact O-CB 3.26Å; V590-S594 WeakPolarHBondContact O-CB 3.42Å; V590-S594 PolarHBondContact O-N 3.32Å; D591-S594 PolarHBondContact O-N 2.83Å; V592-S594 VanDerWaalsContact C-N 3.34Å; V592-S594 PolarHBondContact O-N 3.31Å; S594-S597 PolarHBondContact O-N 3.44Å; S594-Q598 PolarHBondContact O-N 3.34Å; S594-Y638 WeakPolarHBondContact CA-OH 3.37Å; S594-Y638 WeakPolarHBondContact CB-OH 3.38Å; S594-Y638 PolarHBondContact N-OH 3.27Å |
| 595 | T | 90.8 | Very high | 89.7 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 38% | 0.38 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | D591 V592 I593 S597 Q598 Q599 | D591-T595 PolarHBondContact O-N 3.03Å; D591-T595 PolarHBondContact O-OG1 2.84Å; V592-T595 PolarHBondContact O-N 3.13Å; I593-T595 PolarHBondContact O-N 3.16Å; T595-S597 VanDerWaalsContact C-N 3.35Å; T595-S597 PolarHBondContact O-N 3.05Å; T595-Q598 PolarHBondContact O-N 2.93Å; T595-Q599 WeakPolarHBondContact O-CG 3.35Å; T595-Q599 PolarHBondContact O-N 2.85Å |
| 596 | L | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176 | 173.1 | 59.9 | 0 | 0 | 0 | 111.6 | I556 S560 L578 L582 V592 I593 Q598 Q599 L600 L627 | I556-L596 HydrophobicContact CG2-CB 4.3Å; I556-L596 HydrophobicContact CG2-CD2 4.1Å; S560-L596 WeakPolarHBondContact OG-CD1 3.38Å; L578-L596 HydrophobicContact CD1-CD1 4.21Å; L578-L596 HydrophobicContact CD2-CD1 4.36Å; L582-L596 HydrophobicContact CD1-CD2 3.98Å; L582-L596 HydrophobicContact CD2-CD2 4.22Å; L582-L596 HydrophobicContact CG-CD2 4.47Å; V592-L596 PolarHBondContact O-N 2.85Å; I593-L596 PolarHBondContact O-N 3.21Å; L596-Q598 VanDerWaalsContact C-N 3.35Å; L596-Q598 PolarHBondContact O-N 3.18Å; L596-Q599 PolarHBondContact O-N 2.94Å; L596-L600 VanDerWaalsContact O-CB 3.24Å; L596-L600 WeakPolarHBondContact O-CB 3.44Å; L596-L600 PolarHBondContact O-N 3.45Å; L596-L627 HydrophobicContact CD2-CD1 4.39Å |
| 597 | S | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | I593 S594 T595 L600 C601 L627 I642 | I593-S597 WeakPolarHBondContact O-CB 3.41Å; I593-S597 PolarHBondContact O-N 3.17Å; I593-S597 PolarHBondContact O-OG 3.01Å; S594-S597 PolarHBondContact O-N 3.44Å; T595-S597 VanDerWaalsContact C-N 3.35Å; T595-S597 PolarHBondContact O-N 3.05Å; S597-L600 PolarHBondContact O-N 3.24Å; S597-C601 PolarHBondContact O-N 3.19Å; S597-C601 PolarHBondContact O-SG 3.29Å; S597-L627 WeakPolarHBondContact OG-CD2 3.1Å; S597-I642 WeakPolarHBondContact OG-CD1 3.39Å |
| 598 | Q | 93.2 | Very high | 90.8 | Very high | 99 Ų | 99 | 40 Ų | 40 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 178.7 | -174.6 | 179.9 | 3.2 | 0 | 0 | 111.8 | S594 T595 L596 C601 Q602 M645 | S594-Q598 PolarHBondContact O-N 3.34Å; T595-Q598 PolarHBondContact O-N 2.93Å; L596-Q598 VanDerWaalsContact C-N 3.35Å; L596-Q598 PolarHBondContact O-N 3.18Å; Q598-C601 PolarHBondContact O-N 3Å; Q598-Q602 WeakPolarHBondContact O-CB 3.32Å; Q598-Q602 VanDerWaalsContact O-CG 3.31Å; Q598-Q602 WeakPolarHBondContact O-CG 2.97Å; Q598-Q602 PolarHBondContact O-N 2.73Å; Q598-M645 HydrophobicContact CB-CE 4.03Å; Q598-M645 HydrophobicContact CG-CE 4.41Å |
| 599 | Q | 93.5 | Very high | 91.2 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | -179.4 | -72.1 | 178.1 | -17.9 | 0 | 0 | 112 | S560 T564 T595 L596 K603 | S560-Q599 PolarHBondContact O-OE1 3.38Å; T564-Q599 HydrophobicContact CG2-CG 4.48Å; T595-Q599 WeakPolarHBondContact O-CG 3.35Å; T595-Q599 PolarHBondContact O-N 2.85Å; L596-Q599 PolarHBondContact O-N 2.94Å; Q599-K603 VanDerWaalsContact O-CB 3.28Å; Q599-K603 WeakPolarHBondContact O-CB 3.33Å; Q599-K603 PolarHBondContact O-N 3.06Å |
| 600 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 176 | -174.7 | 62.5 | 0 | 0 | 0 | 111.6 | M575 L596 S597 Q602 K603 I604 M620 T623 A624 L627 | M575-L600 HydrophobicContact CE-CD1 4.14Å; L596-L600 VanDerWaalsContact O-CB 3.24Å; L596-L600 WeakPolarHBondContact O-CB 3.44Å; L596-L600 PolarHBondContact O-N 3.45Å; S597-L600 PolarHBondContact O-N 3.24Å; L600-Q602 PolarHBondContact O-N 2.89Å; L600-K603 PolarHBondContact O-N 3.43Å; L600-K603 VanDerWaalsContact O-N 3.17Å; L600-I604 HydrophobicContact CG-CD1 4.12Å; L600-I604 VanDerWaalsContact O-CG1 3.3Å; L600-I604 WeakPolarHBondContact O-CG1 3.37Å; L600-I604 PolarHBondContact O-N 2.65Å; L600-M620 HydrophobicContact CD1-CG 3.67Å; L600-T623 HydrophobicContact CD2-CG2 4.11Å; L600-A624 HydrophobicContact CD2-CB 3.89Å; L600-L627 HydrophobicContact CD2-CD2 4.05Å |
| 601 | C | 94.7 | Very high | 91.6 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 177.9 | -65 | 0 | 0 | 0 | 0 | 111.6 | S597 Q598 K603 I604 A605 L646 | S597-C601 PolarHBondContact O-N 3.19Å; S597-C601 PolarHBondContact O-SG 3.29Å; Q598-C601 PolarHBondContact O-N 3Å; C601-K603 VanDerWaalsContact C-N 3.27Å; C601-K603 PolarHBondContact O-N 3.25Å; C601-I604 PolarHBondContact O-N 3.39Å; C601-A605 PolarHBondContact O-N 3.42Å; C601-L646 VanDerWaalsContact SG-CD2 3.59Å |
| 602 | Q | 93.8 | Very high | 91.5 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.3 | -39.2 | 175.1 | -73.1 | 175.9 | -4.7 | 0 | 0 | 111.8 | Q598 L600 A605 L606 | Q598-Q602 WeakPolarHBondContact O-CB 3.32Å; Q598-Q602 VanDerWaalsContact O-CG 3.31Å; Q598-Q602 WeakPolarHBondContact O-CG 2.97Å; Q598-Q602 PolarHBondContact O-N 2.73Å; L600-Q602 PolarHBondContact O-N 2.89Å; Q602-A605 PolarHBondContact O-N 3.46Å; Q602-L606 WeakPolarHBondContact O-CB 3.43Å; Q602-L606 PolarHBondContact O-N 2.86Å |
| 603 | K | 94.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 179.1 | -170.3 | 58.4 | -177.6 | 165.8 | 0 | 112.1 | T569 E570 Q599 L600 C601 A605 L606 V607 F616 M620 | T569-K603 WeakPolarHBondContact O-CE 2.99Å; T569-K603 WeakPolarHBondContact OG1-CE 3.46Å; T569-K603 PolarHBondContact OG1-NZ 3.26Å; E570-K603 VanDerWaalsContact CG-NZ 3.32Å; E570-K603 IonicContact OE1-NZ 2.8Å; E570-K603 PolarHBondContact OE1-NZ 3.18Å; Q599-K603 VanDerWaalsContact O-CB 3.28Å; Q599-K603 WeakPolarHBondContact O-CB 3.33Å; Q599-K603 PolarHBondContact O-N 3.06Å; L600-K603 PolarHBondContact O-N 3.43Å; L600-K603 VanDerWaalsContact O-N 3.17Å; C601-K603 VanDerWaalsContact C-N 3.27Å; C601-K603 PolarHBondContact O-N 3.25Å; K603-A605 VanDerWaalsContact C-N 3.33Å; K603-A605 PolarHBondContact O-N 3.42Å; K603-L606 HydrophobicContact CD-CD2 4.3Å; K603-L606 PolarHBondContact O-N 2.89Å; K603-V607 HydrophobicContact CD-CG2 3.8Å; K603-V607 HydrophobicContact CG-CG2 4.07Å; K603-V607 WeakPolarHBondContact O-CB 3.34Å; K603-V607 WeakPolarHBondContact O-CG2 3.42Å; K603-V607 PolarHBondContact O-N 3.1Å; K603-F616 HydrophobicContact CG-CZ 4.07Å; K603-M620 HydrophobicContact CG-SD 4.3Å |
| 604 | I | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.1 | -49.2 | 172.3 | -68 | 165.5 | 0 | 0 | 0 | 109.8 | L600 C601 L606 V607 A608 M620 F621 L646 P649 F650 I653 | L600-I604 HydrophobicContact CG-CD1 4.12Å; L600-I604 VanDerWaalsContact O-CG1 3.3Å; L600-I604 WeakPolarHBondContact O-CG1 3.37Å; L600-I604 PolarHBondContact O-N 2.65Å; C601-I604 PolarHBondContact O-N 3.39Å; I604-L606 VanDerWaalsContact C-N 3.33Å; I604-L606 PolarHBondContact O-N 3.39Å; I604-V607 PolarHBondContact O-N 2.98Å; I604-A608 VanDerWaalsContact O-CB 3.24Å; I604-A608 WeakPolarHBondContact O-CB 3.31Å; I604-A608 PolarHBondContact O-N 3.48Å; I604-M620 HydrophobicContact CB-CE 4.41Å; I604-M620 HydrophobicContact CB-SD 4.39Å; I604-M620 HydrophobicContact CG1-CE 3.83Å; I604-M620 HydrophobicContact CG1-CG 4Å; I604-M620 HydrophobicContact CG1-SD 3.66Å; I604-F621 HydrophobicContact CG2-CZ 4.47Å; I604-L646 HydrophobicContact CD1-CD2 3.99Å; I604-P649 HydrophobicContact CG2-CB 4.03Å; I604-P649 HydrophobicContact CG2-CG 4.29Å; I604-F650 HydrophobicContact CD1-CE1 4.4Å; I604-F650 HydrophobicContact CG2-CE1 4.31Å; I604-I653 HydrophobicContact CG2-CD1 3.82Å |
| 605 | A | 94.6 | Very high | 91.2 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C601 Q602 K603 P649 | C601-A605 PolarHBondContact O-N 3.42Å; Q602-A605 PolarHBondContact O-N 3.46Å; K603-A605 VanDerWaalsContact C-N 3.33Å; K603-A605 PolarHBondContact O-N 3.42Å; A605-P649 HydrophobicContact CB-CB 4.05Å |
| 606 | L | 92.6 | Very high | 91.3 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.2 | -47.9 | 179.3 | -179.5 | 65.2 | 0 | 0 | 0 | 111.8 | Q602 K603 I604 A608 K609 | Q602-L606 WeakPolarHBondContact O-CB 3.43Å; Q602-L606 PolarHBondContact O-N 2.86Å; K603-L606 HydrophobicContact CD-CD2 4.3Å; K603-L606 PolarHBondContact O-N 2.89Å; I604-L606 VanDerWaalsContact C-N 3.33Å; I604-L606 PolarHBondContact O-N 3.39Å; L606-A608 VanDerWaalsContact C-N 3.34Å; L606-K609 WeakPolarHBondContact O-CB 3.28Å; L606-K609 PolarHBondContact O-N 3.31Å |
| 607 | V | 92.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.1 | -30.4 | -175.2 | -178.4 | 0 | 0 | 0 | 0 | 111 | E570 K603 I604 K609 N610 P611 F616 N617 F661 | E570-V607 HydrophobicContact CG-CG2 4.34Å; K603-V607 HydrophobicContact CD-CG2 3.8Å; K603-V607 HydrophobicContact CG-CG2 4.07Å; K603-V607 WeakPolarHBondContact O-CB 3.34Å; K603-V607 WeakPolarHBondContact O-CG2 3.42Å; K603-V607 PolarHBondContact O-N 3.1Å; I604-V607 PolarHBondContact O-N 2.98Å; V607-K609 PolarHBondContact O-N 3.08Å; V607-K609 VanDerWaalsContact O-N 3.14Å; V607-N610 CarbonylContact O-C 3.14Å; V607-N610 PolarHBondContact O-N 2.92Å; V607-P611 VanDerWaalsContact O-N 3.13Å; V607-F616 HydrophobicContact CG2-CE1 3.98Å; V607-N617 VanDerWaalsContact CG1-OD1 3.25Å; V607-N617 WeakPolarHBondContact CG1-OD1 3.37Å; V607-F661 HydrophobicContact CB-CE2 4.39Å; V607-F661 HydrophobicContact CG1-CE2 4.08Å; V607-F661 HydrophobicContact CG1-CZ 3.74Å |
| 608 | A | 91.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.8 | -27.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I604 L606 N610 I653 V658 F661 | I604-A608 VanDerWaalsContact O-CB 3.24Å; I604-A608 WeakPolarHBondContact O-CB 3.31Å; I604-A608 PolarHBondContact O-N 3.48Å; L606-A608 VanDerWaalsContact C-N 3.34Å; A608-N610 PolarHBondContact O-N 3.41Å; A608-I653 HydrophobicContact CB-CD1 4Å; A608-I653 HydrophobicContact CB-CG1 3.59Å; A608-V658 WeakPolarHBondContact O-CG2 3.37Å; A608-F661 HydrophobicContact CB-CD2 4.07Å; A608-F661 HydrophobicContact CB-CE2 4.2Å |
| 609 | K | 91.2 | Very high | 91.4 | Very high | 175 Ų | 175 | 50.6 Ų | 50.6 | 76% | 0.761 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22.4 | 176.2 | -61.2 | 179.1 | -177.6 | 179.8 | 0 | 112.9 | L606 V607 | L606-K609 WeakPolarHBondContact O-CB 3.28Å; L606-K609 PolarHBondContact O-N 3.31Å; V607-K609 PolarHBondContact O-N 3.08Å; V607-K609 VanDerWaalsContact O-N 3.14Å |
| 610 | N | 87.4 | Confident | 91.5 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 35% | 0.348 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -165 | 78 | -173.9 | 168.9 | 62.6 | 0 | 0 | 0 | 110.5 | V607 A608 R612 | V607-N610 CarbonylContact O-C 3.14Å; V607-N610 PolarHBondContact O-N 2.92Å; A608-N610 PolarHBondContact O-N 3.41Å; N610-R612 VanDerWaalsContact CG-NE 3.27Å; N610-R612 VanDerWaalsContact ND2-CD 3.33Å; N610-R612 WeakPolarHBondContact ND2-CD 3.43Å; N610-R612 WeakPolarHBondContact ND2-CG 3.49Å; N610-R612 PolarHBondContact ND2-NE 3.04Å; N610-R612 PolarHBondContact ND2-NH2 2.89Å; N610-R612 PolarHBondContact O-N 2.8Å; N610-R612 WeakPolarHBondContact OD1-CG 3.44Å; N610-R612 PolarHBondContact OD1-NE 3.18Å; N610-R612 PolarHBondContact OD1-NH2 2.99Å |
| 611 | P | 85.9 | Confident | 91.6 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | trans | -74.7 | 91.8 | -175.6 | 29.8 | -35.3 | 0 | 0 | 0 | 111.6 | V607 V658 E660 F661 | V607-P611 VanDerWaalsContact O-N 3.13Å; P611-V658 HydrophobicContact CG-CG1 3.99Å; P611-E660 HydrophobicContact CG-CB 4.49Å; P611-E660 HydrophobicContact CG-CG 4.4Å; P611-F661 HydrophobicContact CB-CD1 4.4Å; P611-F661 HydrophobicContact CB-CE1 3.69Å; P611-F661 HydrophobicContact CB-CE2 4.29Å; P611-F661 HydrophobicContact CB-CZ 3.64Å | ||
| 612 | R | 84 | Confident | 91.7 | Very high | 179 Ų | 179 | 48.5 Ų | 48.5 | 68% | 0.675 | 23% | 0.234 | S | C | * | . | trans | -97.6 | -29.2 | -175 | -69.5 | -174.1 | -176 | 158.9 | 11 | 116.2 | N610 P614 | N610-R612 VanDerWaalsContact CG-NE 3.27Å; N610-R612 VanDerWaalsContact ND2-CD 3.33Å; N610-R612 WeakPolarHBondContact ND2-CD 3.43Å; N610-R612 WeakPolarHBondContact ND2-CG 3.49Å; N610-R612 PolarHBondContact ND2-NE 3.04Å; N610-R612 PolarHBondContact ND2-NH2 2.89Å; N610-R612 PolarHBondContact O-N 2.8Å; N610-R612 WeakPolarHBondContact OD1-CG 3.44Å; N610-R612 PolarHBondContact OD1-NE 3.18Å; N610-R612 PolarHBondContact OD1-NH2 2.99Å; R612-P614 WeakPolarHBondContact O-CD 3.38Å | ||
| 613 | K | 86.3 | Confident | 91.8 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 29% | 0.291 | 21% | 0.21 | S | C | . | . | trans | -115.1 | 93.1 | -171.2 | -65.5 | -160.9 | -175.1 | -173.7 | 0 | 112.4 | D369 E570 Y615 F616 N617 | D369-K613 IonicContact OD1-NZ 3.85Å; D369-K613 IonicContact OD2-NZ 2.86Å; D369-K613 PolarHBondContact OD2-NZ 3.43Å; E570-K613 HydrophobicContact CB-CD 3.82Å; E570-K613 HydrophobicContact CB-CG 4.46Å; E570-K613 WeakPolarHBondContact O-CD 3.21Å; E570-K613 PolarHBondContact O-NZ 3.29Å; K613-Y615 PolarHBondContact O-N 3.48Å; K613-F616 HydrophobicContact CB-CB 3.91Å; K613-F616 PolarHBondContact O-N 2.88Å; K613-N617 PolarHBondContact O-N 2.99Å; K613-N617 PolarHBondContact O-ND2 3.09Å; K613-N617 PolarHBondContact O-OD1 2.67Å | ||
| 614 | P | 87.4 | Confident | 91.9 | Very high | 73 Ų | 73 | 43.1 Ų | 43.1 | 47% | 0.474 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.2 | -43.6 | -173.6 | -27.5 | 34.8 | 0 | 0 | 0 | 114.8 | R612 N617 H618 | R612-P614 WeakPolarHBondContact O-CD 3.38Å; P614-N617 PolarHBondContact O-N 3.2Å; P614-H618 WeakPolarHBondContact O-CB 3.17Å; P614-H618 PolarHBondContact O-N 3.26Å |
| 615 | Y | 86.6 | Confident | 91.9 | Very high | 117 Ų | 117 | 43.1 Ų | 43.1 | 46% | 0.459 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.7 | -74.4 | -82.9 | 0 | 0 | 0 | 112.2 | K613 H618 F619 I903 L905 | K613-Y615 PolarHBondContact O-N 3.48Å; Y615-H618 PolarHBondContact O-N 3.26Å; Y615-F619 WeakPolarHBondContact O-CD2 3.09Å; Y615-F619 PolarHBondContact O-N 2.88Å; Y615-I903 HydrophobicContact CD1-CD1 3.43Å; Y615-I903 VanDerWaalsContact CD1-CD1 3.43Å; Y615-I903 HydrophobicContact CE1-CB 4.48Å; Y615-I903 HydrophobicContact CE1-CD1 3.69Å; Y615-I903 HydrophobicContact CE1-CG1 4.4Å; Y615-I903 HydrophobicContact CG-CD1 4.48Å; Y615-L905 HydrophobicContact CE2-CD1 4.08Å |
| 616 | F | 92.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.9 | 170.4 | -94 | 0 | 0 | 0 | 111.2 | E570 C571 M575 K603 V607 K613 H618 F619 M620 | E570-F616 HydrophobicContact CB-CD1 3.92Å; E570-F616 HydrophobicContact CB-CD2 4.23Å; E570-F616 HydrophobicContact CB-CE1 4.17Å; E570-F616 HydrophobicContact CB-CE2 4.41Å; E570-F616 HydrophobicContact CB-CG 3.96Å; E570-F616 HydrophobicContact CB-CZ 4.39Å; E570-F616 HydrophobicContact CG-CD1 3.94Å; E570-F616 HydrophobicContact CG-CE1 3.82Å; E570-F616 HydrophobicContact CG-CG 4.48Å; E570-F616 HydrophobicContact CG-CZ 4.2Å; C571-F616 WeakPolarHBondContact O-CD2 3.34Å; M575-F616 HydrophobicContact CB-CD2 4.48Å; M575-F616 HydrophobicContact CE-CE2 3.62Å; M575-F616 HydrophobicContact CE-CZ 3.61Å; M575-F616 HydrophobicContact CG-CD2 3.66Å; M575-F616 HydrophobicContact CG-CE2 3.36Å; M575-F616 HydrophobicContact CG-CZ 4.18Å; M575-F616 HydrophobicContact SD-CE2 4.38Å; K603-F616 HydrophobicContact CG-CZ 4.07Å; V607-F616 HydrophobicContact CG2-CE1 3.98Å; K613-F616 HydrophobicContact CB-CB 3.91Å; K613-F616 PolarHBondContact O-N 2.88Å; F616-H618 VanDerWaalsContact C-N 3.33Å; F616-H618 PolarHBondContact O-N 2.94Å; F616-F619 PolarHBondContact O-N 3.37Å; F616-M620 HydrophobicContact CE1-CB 4.4Å; F616-M620 HydrophobicContact CE1-SD 4.02Å; F616-M620 HydrophobicContact CZ-SD 4.44Å; F616-M620 WeakPolarHBondContact O-CB 3.23Å; F616-M620 PolarHBondContact O-N 3.09Å |
| 617 | N | 93.2 | Very high | 91.9 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 179.9 | -63.5 | -18.4 | 0 | 0 | 0 | 111.3 | V607 K613 P614 M620 F621 F661 | V607-N617 VanDerWaalsContact CG1-OD1 3.25Å; V607-N617 WeakPolarHBondContact CG1-OD1 3.37Å; K613-N617 PolarHBondContact O-N 2.99Å; K613-N617 PolarHBondContact O-ND2 3.09Å; K613-N617 PolarHBondContact O-OD1 2.67Å; P614-N617 PolarHBondContact O-N 3.2Å; N617-M620 WeakPolarHBondContact O-CB 3.48Å; N617-M620 PolarHBondContact O-N 2.7Å; N617-F621 WeakPolarHBondContact O-CD2 3.38Å; N617-F621 PolarHBondContact O-N 3.47Å; N617-F661 HydrophobicContact CB-CE1 3.67Å; N617-F661 HydrophobicContact CB-CZ 3.99Å; N617-F661 WeakPolarHBondContact ND2-CE1 3.4Å |
| 618 | H | 93.9 | Very high | 92 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -54.1 | 177.3 | -179.4 | 74.1 | 0 | 0 | 0 | 111.8 | P614 Y615 F616 M620 F621 E622 Y664 I903 F918 | P614-H618 WeakPolarHBondContact O-CB 3.17Å; P614-H618 PolarHBondContact O-N 3.26Å; Y615-H618 PolarHBondContact O-N 3.26Å; F616-H618 VanDerWaalsContact C-N 3.33Å; F616-H618 PolarHBondContact O-N 2.94Å; H618-M620 VanDerWaalsContact C-N 3.3Å; H618-M620 PolarHBondContact O-N 3.4Å; H618-F621 PolarHBondContact O-N 3.26Å; H618-F621 VanDerWaalsContact O-N 3.15Å; H618-E622 IonicContact CE1-OE1 3.87Å; H618-E622 IonicContact NE2-OE1 3.74Å; H618-E622 PolarHBondContact O-N 3.05Å; H618-Y664 AromaticContact ND1-CE1 3.61Å; H618-Y664 AromaticContact ND1-CZ 3.9Å; H618-Y664 PolarHBondContact ND1-OH 3.36Å; H618-I903 HydrophobicContact CB-CD1 4.33Å; H618-F918 PolarHBondContact CE1-O 3.21Å |
| 619 | F | 93.9 | Very high | 92 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 10% | 0.096 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.2 | -25.3 | -179.6 | -76.9 | -73.2 | 0 | 0 | 0 | 113.6 | M575 R576 T579 Y615 F616 F621 E622 T623 I903 | M575-F619 HydrophobicContact CB-CB 3.68Å; R576-F619 HydrophobicContact CB-CD1 4.47Å; R576-F619 HydrophobicContact CG-CB 4.45Å; R576-F619 HydrophobicContact CG-CD1 3.69Å; R576-F619 HydrophobicContact CG-CD2 3.53Å; R576-F619 HydrophobicContact CG-CE1 3.69Å; R576-F619 HydrophobicContact CG-CE2 3.53Å; R576-F619 HydrophobicContact CG-CG 3.62Å; R576-F619 HydrophobicContact CG-CZ 3.62Å; T579-F619 PolarHBondContact OG1-O 3.25Å; Y615-F619 WeakPolarHBondContact O-CD2 3.09Å; Y615-F619 PolarHBondContact O-N 2.88Å; F616-F619 PolarHBondContact O-N 3.37Å; F619-F621 VanDerWaalsContact C-N 3.35Å; F619-E622 HydrophobicContact CD1-CB 4.47Å; F619-E622 HydrophobicContact CD1-CG 4.49Å; F619-E622 PolarHBondContact O-N 3.44Å; F619-T623 WeakPolarHBondContact O-CB 3.3Å; F619-T623 PolarHBondContact O-N 3.37Å; F619-T623 PolarHBondContact O-OG1 3.33Å; F619-I903 HydrophobicContact CE2-CD1 4.15Å |
| 620 | M | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 170.4 | 179.6 | -176 | 67.7 | 0 | 0 | 110.8 | M575 L600 K603 I604 F616 N617 H618 T623 A624 F661 | M575-M620 HydrophobicContact CE-CB 4.27Å; M575-M620 HydrophobicContact CE-CG 4.17Å; L600-M620 HydrophobicContact CD1-CG 3.67Å; K603-M620 HydrophobicContact CG-SD 4.3Å; I604-M620 HydrophobicContact CB-CE 4.41Å; I604-M620 HydrophobicContact CB-SD 4.39Å; I604-M620 HydrophobicContact CG1-CE 3.83Å; I604-M620 HydrophobicContact CG1-CG 4Å; I604-M620 HydrophobicContact CG1-SD 3.66Å; F616-M620 HydrophobicContact CE1-CB 4.4Å; F616-M620 HydrophobicContact CE1-SD 4.02Å; F616-M620 HydrophobicContact CZ-SD 4.44Å; F616-M620 WeakPolarHBondContact O-CB 3.23Å; F616-M620 PolarHBondContact O-N 3.09Å; N617-M620 WeakPolarHBondContact O-CB 3.48Å; N617-M620 PolarHBondContact O-N 2.7Å; H618-M620 VanDerWaalsContact C-N 3.3Å; H618-M620 PolarHBondContact O-N 3.4Å; M620-T623 WeakPolarHBondContact O-CB 3.44Å; M620-T623 PolarHBondContact O-N 3.17Å; M620-A624 PolarHBondContact O-N 2.88Å; M620-F661 HydrophobicContact CE-CE2 4.22Å; M620-F661 HydrophobicContact CE-CZ 4.24Å |
| 621 | F | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74.3 | -33.4 | 175.7 | -74.9 | -75.1 | 0 | 0 | 0 | 113 | I604 N617 H618 F619 T623 A624 C625 F650 F661 Y664 V665 V668 L919 | I604-F621 HydrophobicContact CG2-CZ 4.47Å; N617-F621 WeakPolarHBondContact O-CD2 3.38Å; N617-F621 PolarHBondContact O-N 3.47Å; H618-F621 PolarHBondContact O-N 3.26Å; H618-F621 VanDerWaalsContact O-N 3.15Å; F619-F621 VanDerWaalsContact C-N 3.35Å; F621-T623 VanDerWaalsContact C-N 3.3Å; F621-T623 PolarHBondContact O-N 3.31Å; F621-A624 WeakPolarHBondContact O-CB 3.42Å; F621-A624 PolarHBondContact O-N 3.36Å; F621-C625 PolarHBondContact O-N 2.98Å; F621-F650 AromaticContact CE1-CE1 3.92Å; F621-F650 HydrophobicContact CE1-CE1 3.92Å; F621-F650 HydrophobicContact CE1-CZ 4.46Å; F621-F661 HydrophobicContact CE2-CB 4.37Å; F621-F661 AromaticContact CE2-CD1 3.91Å; F621-F661 HydrophobicContact CE2-CD1 3.91Å; F621-F661 HydrophobicContact CE2-CD2 4.09Å; F621-F661 HydrophobicContact CE2-CE1 4.17Å; F621-F661 HydrophobicContact CE2-CE2 4.31Å; F621-F661 AromaticContact CE2-CG 3.87Å; F621-F661 HydrophobicContact CE2-CG 3.87Å; F621-F661 HydrophobicContact CE2-CZ 4.34Å; F621-F661 HydrophobicContact CZ-CB 4.16Å; F621-F661 HydrophobicContact CZ-CD1 4.49Å; F621-F661 HydrophobicContact CZ-CD2 4.04Å; F621-F661 AromaticContact CZ-CG 4Å; F621-F661 HydrophobicContact CZ-CG 4Å; F621-Y664 HydrophobicContact CB-CD1 4.08Å; F621-Y664 HydrophobicContact CB-CG 4.21Å; F621-Y664 HydrophobicContact CD1-CG 4.48Å; F621-Y664 HydrophobicContact CD2-CD1 4.12Å; F621-Y664 AromaticContact CD2-CD2 3.62Å; F621-Y664 HydrophobicContact CD2-CD2 3.62Å; F621-Y664 HydrophobicContact CD2-CE2 4.33Å; F621-Y664 AromaticContact CD2-CG 3.49Å; F621-Y664 HydrophobicContact CD2-CG 3.49Å; F621-Y664 VanDerWaalsContact CD2-CG 3.49Å; F621-Y664 AromaticContact CE2-CD2 3.76Å; F621-Y664 HydrophobicContact CE2-CD2 3.76Å; F621-Y664 AromaticContact CE2-CG 3.92Å; F621-Y664 HydrophobicContact CE2-CG 3.92Å; F621-Y664 HydrophobicContact CG-CD1 4.22Å; F621-Y664 HydrophobicContact CG-CD2 4.42Å; F621-Y664 AromaticContact CG-CG 3.84Å; F621-Y664 HydrophobicContact CG-CG 3.84Å; F621-V665 HydrophobicContact CE1-CG2 4.44Å; F621-V668 HydrophobicContact CD1-CG2 4.12Å; F621-L919 HydrophobicContact CB-CD1 3.83Å; F621-L919 HydrophobicContact CB-CD2 3.81Å; F621-L919 HydrophobicContact CB-CG 4.47Å |
| 622 | E | 96.1 | Very high | 92 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 169.3 | -70.3 | -71.1 | -170.4 | 0 | 0 | 111.5 | T579 H618 F619 A624 C625 M626 L919 V920 H921 | T579-E622 HydrophobicContact CG2-CB 3.97Å; H618-E622 IonicContact CE1-OE1 3.87Å; H618-E622 IonicContact NE2-OE1 3.74Å; H618-E622 PolarHBondContact O-N 3.05Å; F619-E622 HydrophobicContact CD1-CB 4.47Å; F619-E622 HydrophobicContact CD1-CG 4.49Å; F619-E622 PolarHBondContact O-N 3.44Å; E622-A624 VanDerWaalsContact C-N 3.32Å; E622-A624 PolarHBondContact O-N 3.41Å; E622-C625 WeakPolarHBondContact O-CB 3.48Å; E622-C625 PolarHBondContact O-N 2.84Å; E622-M626 PolarHBondContact O-N 2.93Å; E622-L919 HydrophobicContact CG-CD2 3.83Å; E622-L919 VanDerWaalsContact OE1-CA 3.25Å; E622-L919 WeakPolarHBondContact OE1-CA 3.46Å; E622-V920 PolarHBondContact OE1-N 3.11Å; E622-H921 VanDerWaalsContact OE2-CB 3.27Å; E622-H921 WeakPolarHBondContact OE2-CB 3.3Å; E622-H921 IonicContact OE2-CE1 2.82Å; E622-H921 IonicContact OE2-CG 3.76Å; E622-H921 PolarHBondContact OE2-N 3.23Å; E622-H921 IonicContact OE2-ND1 2.82Å; E622-H921 PolarHBondContact OE2-ND1 3.14Å |
| 623 | T | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 174 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | M575 L578 T579 L582 L600 F619 M620 F621 M626 L627 | M575-T623 PolarHBondContact O-OG1 2.99Å; L578-T623 HydrophobicContact CB-CG2 4.29Å; T579-T623 PolarHBondContact OG1-OG1 3.02Å; L582-T623 HydrophobicContact CD1-CG2 4.1Å; L600-T623 HydrophobicContact CD2-CG2 4.11Å; F619-T623 WeakPolarHBondContact O-CB 3.3Å; F619-T623 PolarHBondContact O-N 3.37Å; F619-T623 PolarHBondContact O-OG1 3.33Å; M620-T623 WeakPolarHBondContact O-CB 3.44Å; M620-T623 PolarHBondContact O-N 3.17Å; F621-T623 VanDerWaalsContact C-N 3.3Å; F621-T623 PolarHBondContact O-N 3.31Å; T623-M626 PolarHBondContact O-N 3.39Å; T623-L627 WeakPolarHBondContact O-CB 3.42Å; T623-L627 PolarHBondContact O-N 3.28Å |
| 624 | A | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L600 M620 F621 E622 M626 L627 V628 | L600-A624 HydrophobicContact CD2-CB 3.89Å; M620-A624 PolarHBondContact O-N 2.88Å; F621-A624 WeakPolarHBondContact O-CB 3.42Å; F621-A624 PolarHBondContact O-N 3.36Å; E622-A624 VanDerWaalsContact C-N 3.32Å; E622-A624 PolarHBondContact O-N 3.41Å; A624-M626 VanDerWaalsContact C-N 3.35Å; A624-M626 PolarHBondContact O-N 3.48Å; A624-L627 WeakPolarHBondContact O-CB 3.46Å; A624-L627 PolarHBondContact O-N 3.36Å; A624-V628 WeakPolarHBondContact O-CG2 3.25Å; A624-V628 PolarHBondContact O-N 3.06Å |
| 625 | C | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 173.5 | -76.5 | 0 | 0 | 0 | 0 | 112.1 | F621 E622 V628 K629 L671 H921 | F621-C625 PolarHBondContact O-N 2.98Å; E622-C625 WeakPolarHBondContact O-CB 3.48Å; E622-C625 PolarHBondContact O-N 2.84Å; C625-V628 PolarHBondContact O-N 2.9Å; C625-K629 PolarHBondContact O-N 3.21Å; C625-L671 VanDerWaalsContact CA-CD2 3.49Å; C625-L671 HydrophobicContact CB-CD2 3.66Å; C625-L671 WeakPolarHBondContact O-CD2 3.35Å; C625-H921 HydrophobicContact CB-CB 3.74Å |
| 626 | M | 93.2 | Very high | 92 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.7 | -78.6 | -51.1 | -46.5 | 0 | 0 | 112.5 | T579 L582 N583 E622 T623 A624 V628 K629 C630 H921 | T579-M626 HydrophobicContact CG2-CG 3.98Å; L582-M626 HydrophobicContact CB-CB 3.99Å; L582-M626 HydrophobicContact CB-CE 4.44Å; L582-M626 HydrophobicContact CD1-CB 4.07Å; N583-M626 VanDerWaalsContact CA-CE 3.42Å; N583-M626 HydrophobicContact CB-CE 3.94Å; N583-M626 HydrophobicContact CB-SD 4.22Å; E622-M626 PolarHBondContact O-N 2.93Å; T623-M626 PolarHBondContact O-N 3.39Å; A624-M626 VanDerWaalsContact C-N 3.35Å; A624-M626 PolarHBondContact O-N 3.48Å; M626-V628 VanDerWaalsContact C-N 3.34Å; M626-V628 PolarHBondContact O-N 3Å; M626-K629 PolarHBondContact O-N 3.5Å; M626-K629 HydrophobicContact SD-CD 4.36Å; M626-C630 WeakPolarHBondContact O-CB 3.47Å; M626-C630 PolarHBondContact O-N 2.8Å; M626-C630 PolarHBondContact O-SG 2.92Å; M626-H921 HydrophobicContact CG-CB 3.96Å; M626-H921 HydrophobicContact SD-CB 3.74Å; M626-H921 PolarHBondContact SD-CD2 3.15Å |
| 627 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.4 | -48.8 | 174.5 | -176.8 | 70.5 | 0 | 0 | 0 | 111.4 | I593 L596 S597 L600 T623 A624 K629 C630 V631 I642 | I593-L627 HydrophobicContact CG2-CD1 3.7Å; L596-L627 HydrophobicContact CD2-CD1 4.39Å; S597-L627 WeakPolarHBondContact OG-CD2 3.1Å; L600-L627 HydrophobicContact CD2-CD2 4.05Å; T623-L627 WeakPolarHBondContact O-CB 3.42Å; T623-L627 PolarHBondContact O-N 3.28Å; A624-L627 WeakPolarHBondContact O-CB 3.46Å; A624-L627 PolarHBondContact O-N 3.36Å; L627-K629 PolarHBondContact O-N 3.09Å; L627-C630 PolarHBondContact O-N 2.98Å; L627-V631 PolarHBondContact O-N 3.46Å; L627-V631 VanDerWaalsContact O-N 3.17Å; L627-I642 HydrophobicContact CD2-CG2 4.15Å; L627-I642 HydrophobicContact CG-CD1 4.49Å; L627-I642 HydrophobicContact CG-CG2 4.48Å |
| 628 | V | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | 176.6 | 162.3 | 0 | 0 | 0 | 0 | 111.6 | A624 C625 M626 V631 G632 F639 L646 L671 M672 M675 | A624-V628 WeakPolarHBondContact O-CG2 3.25Å; A624-V628 PolarHBondContact O-N 3.06Å; C625-V628 PolarHBondContact O-N 2.9Å; M626-V628 VanDerWaalsContact C-N 3.34Å; M626-V628 PolarHBondContact O-N 3Å; V628-V631 PolarHBondContact O-N 3.29Å; V628-G632 PolarHBondContact O-N 3.18Å; V628-F639 HydrophobicContact CG1-CD2 4.43Å; V628-F639 HydrophobicContact CG1-CE2 3.87Å; V628-L646 HydrophobicContact CG2-CD1 3.71Å; V628-L671 HydrophobicContact CB-CD2 3.96Å; V628-L671 HydrophobicContact CG1-CD2 3.71Å; V628-L671 HydrophobicContact CG1-CG 3.79Å; V628-M672 HydrophobicContact CG1-CG 3.91Å; V628-M672 HydrophobicContact CG2-CG 4Å; V628-M672 HydrophobicContact CG2-SD 4.15Å; V628-M675 HydrophobicContact CG1-CG 4.22Å |
| 629 | K | 91.7 | Very high | 91.7 | Very high | 44 Ų | 44 | 26.3 Ų | 26.3 | 19% | 0.191 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.8 | -78.9 | 175.9 | 162.4 | 174.8 | 0 | 112.9 | C625 M626 L627 V631 S633 L671 M675 H921 E923 | C625-K629 PolarHBondContact O-N 3.21Å; M626-K629 PolarHBondContact O-N 3.5Å; M626-K629 HydrophobicContact SD-CD 4.36Å; L627-K629 PolarHBondContact O-N 3.09Å; K629-V631 VanDerWaalsContact C-N 3.28Å; K629-V631 PolarHBondContact O-N 3.2Å; K629-S633 WeakPolarHBondContact O-CB 3.24Å; K629-S633 PolarHBondContact O-N 3.34Å; K629-S633 PolarHBondContact O-OG 3.11Å; K629-L671 HydrophobicContact CG-CD1 4.09Å; K629-L671 HydrophobicContact CG-CD2 4.46Å; K629-M675 HydrophobicContact CG-SD 4.43Å; K629-H921 WeakPolarHBondContact CD-O 3.41Å; K629-H921 WeakPolarHBondContact CE-O 3.33Å; K629-H921 PolarHBondContact NZ-O 3.04Å; K629-E923 WeakPolarHBondContact CE-O 3.21Å; K629-E923 PolarHBondContact NZ-O 3.01Å |
| 630 | C | 89.2 | Confident | 91.7 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 179.3 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | M626 L627 S633 | M626-C630 WeakPolarHBondContact O-CB 3.47Å; M626-C630 PolarHBondContact O-N 2.8Å; M626-C630 PolarHBondContact O-SG 2.92Å; L627-C630 PolarHBondContact O-N 2.98Å; C630-S633 PolarHBondContact O-OG 3.38Å |
| 631 | V | 88.8 | Confident | 91.5 | Very high | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -84.8 | -45.7 | -178.7 | 177.6 | 0 | 0 | 0 | 0 | 112.6 | I593 L627 V628 K629 S633 K634 N635 Y638 F639 I642 | I593-V631 HydrophobicContact CG2-CG2 3.7Å; L627-V631 PolarHBondContact O-N 3.46Å; L627-V631 VanDerWaalsContact O-N 3.17Å; V628-V631 PolarHBondContact O-N 3.29Å; K629-V631 VanDerWaalsContact C-N 3.28Å; K629-V631 PolarHBondContact O-N 3.2Å; V631-S633 PolarHBondContact O-N 3.37Å; V631-S633 VanDerWaalsContact O-N 3.16Å; V631-K634 PolarHBondContact O-N 2.86Å; V631-N635 PolarHBondContact O-N 3.25Å; V631-Y638 HydrophobicContact CB-CD1 4.19Å; V631-Y638 HydrophobicContact CG1-CD1 3.29Å; V631-Y638 HydrophobicContact CG1-CE1 4.02Å; V631-Y638 HydrophobicContact CG1-CG 3.73Å; V631-Y638 HydrophobicContact CG2-CD1 3.82Å; V631-Y638 HydrophobicContact CG2-CE1 3.67Å; V631-F639 HydrophobicContact CG1-CB 3.99Å; V631-F639 VanDerWaalsContact CG1-N 3.3Å; V631-I642 HydrophobicContact CB-CD1 3.97Å; V631-I642 HydrophobicContact CG1-CD1 4.03Å; V631-I642 HydrophobicContact CG2-CD1 3.48Å; V631-I642 VanDerWaalsContact CG2-CD1 3.48Å |
| 632 | G | 86.2 | Confident | 91.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -21 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V628 K634 K679 | V628-G632 PolarHBondContact O-N 3.18Å; G632-K634 VanDerWaalsContact C-N 3.3Å; G632-K679 PolarHBondContact O-NZ 2.95Å |
| 633 | S | 81.8 | Confident | 91.2 | Very high | 74 Ų | 74 | 32.5 Ų | 32.5 | 52% | 0.517 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.6 | 175.1 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | K629 C630 V631 | K629-S633 WeakPolarHBondContact O-CB 3.24Å; K629-S633 PolarHBondContact O-N 3.34Å; K629-S633 PolarHBondContact O-OG 3.11Å; C630-S633 PolarHBondContact O-OG 3.38Å; V631-S633 PolarHBondContact O-N 3.37Å; V631-S633 VanDerWaalsContact O-N 3.16Å |
| 634 | K | 83.9 | Confident | 91.1 | Very high | 122 Ų | 122 | 35.9 Ų | 35.9 | 53% | 0.53 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -44.4 | -170.4 | -64.6 | -176.3 | 177.1 | -172.1 | 0 | 115.4 | D587 V631 G632 | D587-K634 WeakPolarHBondContact OD1-CE 3.3Å; D587-K634 IonicContact OD1-NZ 3.94Å; D587-K634 PolarHBondContact OD1-NZ 2.83Å; D587-K634 IonicContact OD2-NZ 3.86Å; V631-K634 PolarHBondContact O-N 2.86Å; G632-K634 VanDerWaalsContact C-N 3.3Å |
| 635 | N | 87.8 | Confident | 90.9 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | trans | -137.8 | 106.8 | -171.7 | -173.9 | -29.7 | 0 | 0 | 0 | 109.9 | V631 D637 Y638 F639 | V631-N635 PolarHBondContact O-N 3.25Å; N635-D637 PolarHBondContact OD1-N 3.09Å; N635-Y638 PolarHBondContact OD1-N 2.96Å; N635-F639 WeakPolarHBondContact O-CB 3.27Å; N635-F639 PolarHBondContact O-N 3.5Å | ||
| 636 | M | 90.8 | Very high | 90.9 | Very high | 37 Ų | 37 | 39 Ų | 39 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.9 | -34.1 | -178.3 | -77.7 | -59.1 | -59.2 | 0 | 0 | 113.1 | F639 R640 K679 E681 | M636-F639 HydrophobicContact CE-CD1 3.67Å; M636-F639 HydrophobicContact CE-CE1 4.04Å; M636-F639 WeakPolarHBondContact O-CB 3.47Å; M636-F639 PolarHBondContact O-N 2.8Å; M636-F639 HydrophobicContact SD-CD1 4.12Å; M636-R640 WeakPolarHBondContact O-CG 3.41Å; M636-R640 PolarHBondContact O-N 3.14Å; M636-K679 HydrophobicContact CG-CD 4.23Å; M636-K679 HydrophobicContact SD-CD 3.61Å; M636-E681 HydrophobicContact CE-CG 3.76Å |
| 637 | D | 91.2 | Very high | 91 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 61% | 0.61 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67.4 | -42.5 | 177.7 | -64.3 | -33.6 | 0 | 0 | 0 | 110.6 | N635 F639 R640 A641 | N635-D637 PolarHBondContact OD1-N 3.09Å; D637-F639 VanDerWaalsContact C-N 3.34Å; D637-R640 PolarHBondContact O-N 3.01Å; D637-R640 IonicContact OD1-CZ 3.79Å; D637-R640 IonicContact OD1-NH1 3.2Å; D637-R640 PolarHBondContact OD1-NH1 3.2Å; D637-A641 PolarHBondContact O-N 3.43Å; D637-A641 VanDerWaalsContact O-N 3.16Å |
| 638 | Y | 89.5 | Confident | 91.1 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.9 | -35.6 | 175.3 | -170.5 | -141.4 | 0 | 0 | 0 | 112.1 | V590 I593 S594 V631 N635 A641 I642 | V590-Y638 HydrophobicContact CG1-CE1 4.15Å; V590-Y638 HydrophobicContact CG1-CE2 4.41Å; V590-Y638 PolarHBondContact O-OH 2.89Å; I593-Y638 HydrophobicContact CB-CE1 4.27Å; I593-Y638 HydrophobicContact CG2-CE1 3.74Å; I593-Y638 WeakPolarHBondContact CG2-OH 3.43Å; S594-Y638 WeakPolarHBondContact CA-OH 3.37Å; S594-Y638 WeakPolarHBondContact CB-OH 3.38Å; S594-Y638 PolarHBondContact N-OH 3.27Å; V631-Y638 HydrophobicContact CB-CD1 4.19Å; V631-Y638 HydrophobicContact CG1-CD1 3.29Å; V631-Y638 HydrophobicContact CG1-CE1 4.02Å; V631-Y638 HydrophobicContact CG1-CG 3.73Å; V631-Y638 HydrophobicContact CG2-CD1 3.82Å; V631-Y638 HydrophobicContact CG2-CE1 3.67Å; N635-Y638 PolarHBondContact OD1-N 2.96Å; Y638-A641 PolarHBondContact O-N 2.59Å; Y638-I642 HydrophobicContact CD1-CD1 4.46Å; Y638-I642 HydrophobicContact CE1-CD1 4.01Å; Y638-I642 HydrophobicContact CE2-CD1 4.16Å; Y638-I642 HydrophobicContact CE2-CG1 4.18Å; Y638-I642 PolarHBondContact O-N 2.87Å; Y638-I642 VanDerWaalsContact O-N 3.07Å |
| 639 | F | 92.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 172.6 | 164.5 | -97.2 | 0 | 0 | 0 | 111.8 | V628 V631 N635 M636 D637 A641 I642 E643 M672 M675 R676 | V628-F639 HydrophobicContact CG1-CD2 4.43Å; V628-F639 HydrophobicContact CG1-CE2 3.87Å; V631-F639 HydrophobicContact CG1-CB 3.99Å; V631-F639 VanDerWaalsContact CG1-N 3.3Å; N635-F639 WeakPolarHBondContact O-CB 3.27Å; N635-F639 PolarHBondContact O-N 3.5Å; M636-F639 HydrophobicContact CE-CD1 3.67Å; M636-F639 HydrophobicContact CE-CE1 4.04Å; M636-F639 WeakPolarHBondContact O-CB 3.47Å; M636-F639 PolarHBondContact O-N 2.8Å; M636-F639 HydrophobicContact SD-CD1 4.12Å; D637-F639 VanDerWaalsContact C-N 3.34Å; F639-A641 VanDerWaalsContact C-N 3.28Å; F639-A641 PolarHBondContact O-N 3.4Å; F639-I642 PolarHBondContact O-N 2.9Å; F639-E643 WeakPolarHBondContact O-CB 3.36Å; F639-E643 PolarHBondContact O-N 3.44Å; F639-M672 HydrophobicContact CE2-CB 4.43Å; F639-M672 HydrophobicContact CE2-CG 4.25Å; F639-M672 HydrophobicContact CZ-CB 4.09Å; F639-M672 HydrophobicContact CZ-CG 4.37Å; F639-M672 WeakPolarHBondContact CZ-O 3.41Å; F639-M675 HydrophobicContact CE2-CB 4.19Å; F639-M675 HydrophobicContact CZ-CB 4.2Å; F639-R676 HydrophobicContact CE1-CG 4.32Å |
| 640 | R | 93.8 | Very high | 91.4 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 176.9 | -69.9 | -179.7 | -158.6 | 132.1 | -2.5 | 112 | M636 D637 S644 E681 | M636-R640 WeakPolarHBondContact O-CG 3.41Å; M636-R640 PolarHBondContact O-N 3.14Å; D637-R640 PolarHBondContact O-N 3.01Å; D637-R640 IonicContact OD1-CZ 3.79Å; D637-R640 IonicContact OD1-NH1 3.2Å; D637-R640 PolarHBondContact OD1-NH1 3.2Å; R640-S644 PolarHBondContact O-N 2.95Å; R640-S644 PolarHBondContact O-OG 3.31Å; R640-E681 IonicContact CZ-OE1 3.51Å; R640-E681 IonicContact CZ-OE2 2.61Å; R640-E681 IonicContact NE-OE2 3.55Å; R640-E681 PolarHBondContact NE-OE2 3.12Å; R640-E681 VanDerWaalsContact NE-OE2 3.1Å; R640-E681 VanDerWaalsContact NH2-CD 3.33Å; R640-E681 IonicContact NH2-OE1 3.32Å; R640-E681 PolarHBondContact NH2-OE1 2.82Å; R640-E681 IonicContact NH2-OE2 3.76Å; R640-E681 PolarHBondContact NH2-OE2 2.98Å |
| 641 | A | 92.1 | Very high | 91.7 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 37% | 0.372 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D637 Y638 F639 S644 M645 | D637-A641 PolarHBondContact O-N 3.43Å; D637-A641 VanDerWaalsContact O-N 3.16Å; Y638-A641 PolarHBondContact O-N 2.59Å; F639-A641 VanDerWaalsContact C-N 3.28Å; F639-A641 PolarHBondContact O-N 3.4Å; A641-S644 PolarHBondContact O-OG 3.39Å; A641-M645 VanDerWaalsContact O-CG 3.31Å; A641-M645 WeakPolarHBondContact O-CG 3.38Å; A641-M645 PolarHBondContact O-N 2.9Å |
| 642 | I | 91.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.4 | -39.3 | 175.1 | -67.6 | 177.4 | 0 | 0 | 0 | 110.9 | I593 S597 L627 V631 Y638 F639 S644 M645 L646 | I593-I642 HydrophobicContact CG2-CD1 4.25Å; S597-I642 WeakPolarHBondContact OG-CD1 3.39Å; L627-I642 HydrophobicContact CD2-CG2 4.15Å; L627-I642 HydrophobicContact CG-CD1 4.49Å; L627-I642 HydrophobicContact CG-CG2 4.48Å; V631-I642 HydrophobicContact CB-CD1 3.97Å; V631-I642 HydrophobicContact CG1-CD1 4.03Å; V631-I642 HydrophobicContact CG2-CD1 3.48Å; V631-I642 VanDerWaalsContact CG2-CD1 3.48Å; Y638-I642 HydrophobicContact CD1-CD1 4.46Å; Y638-I642 HydrophobicContact CE1-CD1 4.01Å; Y638-I642 HydrophobicContact CE2-CD1 4.16Å; Y638-I642 HydrophobicContact CE2-CG1 4.18Å; Y638-I642 PolarHBondContact O-N 2.87Å; Y638-I642 VanDerWaalsContact O-N 3.07Å; F639-I642 PolarHBondContact O-N 2.9Å; I642-S644 VanDerWaalsContact C-N 3.34Å; I642-S644 PolarHBondContact O-N 2.99Å; I642-M645 PolarHBondContact O-N 3.38Å; I642-L646 HydrophobicContact CG2-CD1 3.87Å; I642-L646 HydrophobicContact CG2-CG 4.31Å; I642-L646 WeakPolarHBondContact O-CG 3.14Å; I642-L646 PolarHBondContact O-N 3.29Å |
| 643 | E | 94.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 175.3 | 176.7 | -177.9 | -123.6 | 0 | 0 | 110.9 | F639 M645 L646 I647 M672 R676 Y687 | F639-E643 WeakPolarHBondContact O-CB 3.36Å; F639-E643 PolarHBondContact O-N 3.44Å; E643-M645 VanDerWaalsContact C-N 3.32Å; E643-M645 PolarHBondContact O-N 2.8Å; E643-L646 PolarHBondContact O-N 2.94Å; E643-I647 HydrophobicContact CG-CD1 3.69Å; E643-I647 HydrophobicContact CG-CG1 4.37Å; E643-I647 WeakPolarHBondContact O-CB 3.37Å; E643-I647 VanDerWaalsContact O-CG1 3.25Å; E643-I647 WeakPolarHBondContact O-CG1 3.48Å; E643-I647 PolarHBondContact O-N 3.44Å; E643-M672 HydrophobicContact CB-SD 4.01Å; E643-M672 HydrophobicContact CG-CE 4.42Å; E643-M672 HydrophobicContact CG-SD 3.77Å; E643-R676 IonicContact OE1-CZ 3.55Å; E643-R676 IonicContact OE1-NE 3.57Å; E643-R676 IonicContact OE1-NH2 2.67Å; E643-R676 PolarHBondContact OE1-NH2 3.06Å; E643-R676 IonicContact OE2-CZ 3.47Å; E643-R676 IonicContact OE2-NH2 2.67Å; E643-R676 PolarHBondContact OE2-NH2 3.16Å; E643-Y687 VanDerWaalsContact OE1-CE2 3.31Å; E643-Y687 WeakPolarHBondContact OE1-CE2 3.44Å; E643-Y687 PolarHBondContact OE1-OH 2.89Å |
| 644 | S | 94.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.5 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | R640 A641 I642 | R640-S644 PolarHBondContact O-N 2.95Å; R640-S644 PolarHBondContact O-OG 3.31Å; A641-S644 PolarHBondContact O-OG 3.39Å; I642-S644 VanDerWaalsContact C-N 3.34Å; I642-S644 PolarHBondContact O-N 2.99Å |
| 645 | M | 93.7 | Very high | 93.3 | Very high | 65 Ų | 65 | 52 Ų | 52 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 175.4 | -70 | 177.6 | 68.8 | 0 | 0 | 113.4 | Q598 A641 I642 E643 P649 | Q598-M645 HydrophobicContact CB-CE 4.03Å; Q598-M645 HydrophobicContact CG-CE 4.41Å; A641-M645 VanDerWaalsContact O-CG 3.31Å; A641-M645 WeakPolarHBondContact O-CG 3.38Å; A641-M645 PolarHBondContact O-N 2.9Å; I642-M645 PolarHBondContact O-N 3.38Å; E643-M645 VanDerWaalsContact C-N 3.32Å; E643-M645 PolarHBondContact O-N 2.8Å; M645-P649 WeakPolarHBondContact O-CD 3.45Å |
| 646 | L | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.9 | -33.9 | 178.1 | -75.4 | 170.8 | 0 | 0 | 0 | 112.3 | C601 I604 V628 I642 E643 E648 P649 F650 M672 | C601-L646 VanDerWaalsContact SG-CD2 3.59Å; I604-L646 HydrophobicContact CD1-CD2 3.99Å; V628-L646 HydrophobicContact CG2-CD1 3.71Å; I642-L646 HydrophobicContact CG2-CD1 3.87Å; I642-L646 HydrophobicContact CG2-CG 4.31Å; I642-L646 WeakPolarHBondContact O-CG 3.14Å; I642-L646 PolarHBondContact O-N 3.29Å; E643-L646 PolarHBondContact O-N 2.94Å; L646-E648 VanDerWaalsContact C-N 3.27Å; L646-E648 PolarHBondContact O-N 2.9Å; L646-P649 VanDerWaalsContact O-CD 3.25Å; L646-P649 WeakPolarHBondContact O-CD 3.46Å; L646-P649 WeakPolarHBondContact O-CG 3.43Å; L646-F650 HydrophobicContact CB-CE2 4.07Å; L646-F650 HydrophobicContact CB-CZ 4.22Å; L646-F650 HydrophobicContact CD2-CZ 4.31Å; L646-F650 WeakPolarHBondContact O-CD1 3.34Å; L646-F650 WeakPolarHBondContact O-CD2 3.41Å; L646-F650 WeakPolarHBondContact O-CG 3.41Å; L646-F650 PolarHBondContact O-N 2.88Å; L646-M672 HydrophobicContact CD1-SD 4.26Å |
| 647 | I | 95 | Very high | 93.3 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.138 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -33.5 | 179.9 | -75.3 | 171.6 | 0 | 0 | 0 | 111.6 | E643 F650 Q651 L669 M672 Y687 | E643-I647 HydrophobicContact CG-CD1 3.69Å; E643-I647 HydrophobicContact CG-CG1 4.37Å; E643-I647 WeakPolarHBondContact O-CB 3.37Å; E643-I647 VanDerWaalsContact O-CG1 3.25Å; E643-I647 WeakPolarHBondContact O-CG1 3.48Å; E643-I647 PolarHBondContact O-N 3.44Å; I647-F650 WeakPolarHBondContact O-CB 3.3Å; I647-F650 PolarHBondContact O-N 3.17Å; I647-Q651 HydrophobicContact CG2-CG 4.05Å; I647-Q651 WeakPolarHBondContact O-CG 3.04Å; I647-Q651 PolarHBondContact O-N 2.99Å; I647-L669 HydrophobicContact CG1-CD2 4.36Å; I647-M672 HydrophobicContact CG1-CE 4.47Å; I647-Y687 HydrophobicContact CD1-CE2 4.08Å |
| 648 | E | 94.6 | Very high | 93.3 | Very high | 135 Ų | 135 | 49.8 Ų | 49.8 | 63% | 0.631 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -54.6 | -61.8 | 178.8 | -179.1 | -177.4 | 177.2 | 0 | 0 | 112.8 | L646 F650 Q651 D652 | L646-E648 VanDerWaalsContact C-N 3.27Å; L646-E648 PolarHBondContact O-N 2.9Å; E648-F650 PolarHBondContact O-N 2.98Å; E648-Q651 PolarHBondContact O-N 3.46Å; E648-D652 PolarHBondContact O-N 3.47Å |
| 649 | P | 96 | Very high | 93.2 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 5% | 0.045 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -24.3 | 176.7 | 26.5 | -35.2 | 0 | 0 | 0 | 113.2 | I604 A605 M645 L646 D652 I653 | I604-P649 HydrophobicContact CG2-CB 4.03Å; I604-P649 HydrophobicContact CG2-CG 4.29Å; A605-P649 HydrophobicContact CB-CB 4.05Å; M645-P649 WeakPolarHBondContact O-CD 3.45Å; L646-P649 VanDerWaalsContact O-CD 3.25Å; L646-P649 WeakPolarHBondContact O-CD 3.46Å; L646-P649 WeakPolarHBondContact O-CG 3.43Å; P649-D652 PolarHBondContact O-N 2.92Å; P649-I653 WeakPolarHBondContact O-CB 3.24Å; P649-I653 WeakPolarHBondContact O-CD1 3.37Å; P649-I653 VanDerWaalsContact O-CG1 3.26Å; P649-I653 WeakPolarHBondContact O-CG1 3.34Å; P649-I653 PolarHBondContact O-N 3.5Å |
| 650 | F | 96.9 | Very high | 93 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.3 | -38.3 | 175.9 | -67.7 | -5.8 | 0 | 0 | 0 | 112.1 | I604 F621 L646 I647 E648 D652 I653 L654 V665 V668 L669 M672 | I604-F650 HydrophobicContact CD1-CE1 4.4Å; I604-F650 HydrophobicContact CG2-CE1 4.31Å; F621-F650 AromaticContact CE1-CE1 3.92Å; F621-F650 HydrophobicContact CE1-CE1 3.92Å; F621-F650 HydrophobicContact CE1-CZ 4.46Å; L646-F650 HydrophobicContact CB-CE2 4.07Å; L646-F650 HydrophobicContact CB-CZ 4.22Å; L646-F650 HydrophobicContact CD2-CZ 4.31Å; L646-F650 WeakPolarHBondContact O-CD1 3.34Å; L646-F650 WeakPolarHBondContact O-CD2 3.41Å; L646-F650 WeakPolarHBondContact O-CG 3.41Å; L646-F650 PolarHBondContact O-N 2.88Å; I647-F650 WeakPolarHBondContact O-CB 3.3Å; I647-F650 PolarHBondContact O-N 3.17Å; E648-F650 PolarHBondContact O-N 2.98Å; F650-D652 VanDerWaalsContact C-N 3.34Å; F650-I653 HydrophobicContact CD1-CD1 4.36Å; F650-I653 PolarHBondContact O-N 3.17Å; F650-L654 WeakPolarHBondContact O-CB 3.3Å; F650-L654 VanDerWaalsContact O-CG 3.23Å; F650-L654 WeakPolarHBondContact O-CG 3.26Å; F650-L654 PolarHBondContact O-N 3.13Å; F650-V665 HydrophobicContact CB-CG1 3.71Å; F650-V665 HydrophobicContact CB-CG2 4.3Å; F650-V665 HydrophobicContact CD1-CG1 4.35Å; F650-V665 HydrophobicContact CD1-CG2 3.69Å; F650-V665 HydrophobicContact CD2-CG1 3.99Å; F650-V665 HydrophobicContact CE1-CG2 4.17Å; F650-V665 HydrophobicContact CG-CB 4.4Å; F650-V665 HydrophobicContact CG-CG1 3.77Å; F650-V665 HydrophobicContact CG-CG2 3.98Å; F650-V668 HydrophobicContact CE2-CB 3.95Å; F650-V668 HydrophobicContact CE2-CG1 3.78Å; F650-V668 HydrophobicContact CZ-CB 4.01Å; F650-V668 HydrophobicContact CZ-CG1 3.86Å; F650-V668 HydrophobicContact CZ-CG2 4.36Å; F650-L669 HydrophobicContact CD2-CD2 4.18Å; F650-L669 HydrophobicContact CD2-CG 4.34Å; F650-M672 HydrophobicContact CD2-CE 4.46Å; F650-M672 HydrophobicContact CE2-CE 4.03Å |
| 651 | Q | 94.6 | Very high | 93 | Very high | 98 Ų | 98 | 49.7 Ų | 49.7 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 174 | -74.2 | 178.8 | -9.1 | 0 | 0 | 110.8 | I647 E648 L654 Q655 | I647-Q651 HydrophobicContact CG2-CG 4.05Å; I647-Q651 WeakPolarHBondContact O-CG 3.04Å; I647-Q651 PolarHBondContact O-N 2.99Å; E648-Q651 PolarHBondContact O-N 3.46Å; Q651-L654 PolarHBondContact O-N 3.23Å; Q651-Q655 WeakPolarHBondContact O-CB 3.48Å; Q651-Q655 VanDerWaalsContact O-CG 3.26Å; Q651-Q655 WeakPolarHBondContact O-CG 3.46Å; Q651-Q655 PolarHBondContact O-N 3.45Å |
| 652 | D | 93.9 | Very high | 93.1 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 176.1 | -73.4 | -13.5 | 0 | 0 | 0 | 111.7 | E648 P649 F650 L654 Q655 T656 | E648-D652 PolarHBondContact O-N 3.47Å; P649-D652 PolarHBondContact O-N 2.92Å; F650-D652 VanDerWaalsContact C-N 3.34Å; D652-L654 VanDerWaalsContact C-N 3.32Å; D652-L654 PolarHBondContact O-N 3.38Å; D652-Q655 PolarHBondContact O-N 2.97Å; D652-T656 WeakPolarHBondContact O-CB 3.38Å; D652-T656 WeakPolarHBondContact O-CG2 3.3Å; D652-T656 PolarHBondContact O-N 3.47Å; D652-T656 PolarHBondContact O-OG1 3.26Å |
| 653 | I | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.2 | -44.5 | 176.4 | -76.4 | 163 | 0 | 0 | 0 | 111.5 | I604 A608 P649 F650 D657 V658 F661 V662 V665 | I604-I653 HydrophobicContact CG2-CD1 3.82Å; A608-I653 HydrophobicContact CB-CD1 4Å; A608-I653 HydrophobicContact CB-CG1 3.59Å; P649-I653 WeakPolarHBondContact O-CB 3.24Å; P649-I653 WeakPolarHBondContact O-CD1 3.37Å; P649-I653 VanDerWaalsContact O-CG1 3.26Å; P649-I653 WeakPolarHBondContact O-CG1 3.34Å; P649-I653 PolarHBondContact O-N 3.5Å; F650-I653 HydrophobicContact CD1-CD1 4.36Å; F650-I653 PolarHBondContact O-N 3.17Å; I653-D657 PolarHBondContact O-N 3.01Å; I653-V658 HydrophobicContact CG2-CB 4.18Å; I653-V658 PolarHBondContact O-N 3.11Å; I653-V658 VanDerWaalsContact O-N 3.08Å; I653-F661 HydrophobicContact CD1-CB 4.31Å; I653-F661 HydrophobicContact CD1-CD2 4.01Å; I653-F661 HydrophobicContact CG1-CD2 4.44Å; I653-F661 HydrophobicContact CG2-CB 3.83Å; I653-V662 HydrophobicContact CG2-CG2 4.37Å; I653-V665 HydrophobicContact CB-CG2 4.3Å; I653-V665 HydrophobicContact CD1-CG2 4.06Å; I653-V665 HydrophobicContact CG2-CG2 3.75Å |
| 654 | L | 94.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 48 Ų | 48 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.5 | -38.5 | -179.5 | -67.9 | 173.6 | 0 | 0 | 0 | 112.2 | F650 Q651 D652 V662 V665 F666 L690 F693 | F650-L654 WeakPolarHBondContact O-CB 3.3Å; F650-L654 VanDerWaalsContact O-CG 3.23Å; F650-L654 WeakPolarHBondContact O-CG 3.26Å; F650-L654 PolarHBondContact O-N 3.13Å; Q651-L654 PolarHBondContact O-N 3.23Å; D652-L654 VanDerWaalsContact C-N 3.32Å; D652-L654 PolarHBondContact O-N 3.38Å; L654-V662 HydrophobicContact CD2-CG1 4.01Å; L654-V662 HydrophobicContact CD2-CG2 4.19Å; L654-V665 HydrophobicContact CD1-CG1 4.12Å; L654-V665 HydrophobicContact CD2-CG1 4.29Å; L654-V665 HydrophobicContact CG-CG1 4.18Å; L654-F666 HydrophobicContact CD1-CE1 4.44Å; L654-F666 HydrophobicContact CD2-CD1 4.4Å; L654-F666 HydrophobicContact CD2-CE1 3.56Å; L654-F666 HydrophobicContact CD2-CZ 3.9Å; L654-L690 HydrophobicContact CD1-CD1 4.07Å; L654-F693 HydrophobicContact CD2-CE1 4.18Å |
| 655 | Q | 91.9 | Very high | 93.6 | Very high | 153 Ų | 153 | 44.6 Ų | 44.6 | 72% | 0.715 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -72.7 | -36.7 | 179.3 | -73.6 | 178.4 | 11.6 | 0 | 0 | 112.8 | Q651 D652 D657 | Q651-Q655 WeakPolarHBondContact O-CB 3.48Å; Q651-Q655 VanDerWaalsContact O-CG 3.26Å; Q651-Q655 WeakPolarHBondContact O-CG 3.46Å; Q651-Q655 PolarHBondContact O-N 3.45Å; D652-Q655 PolarHBondContact O-N 2.97Å; Q655-D657 VanDerWaalsContact C-N 3.3Å |
| 656 | T | 90.9 | Very high | 93.7 | Very high | 100 Ų | 100 | 41.5 Ų | 41.5 | 61% | 0.613 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -85.2 | -5.1 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | D652 V658 | D652-T656 WeakPolarHBondContact O-CB 3.38Å; D652-T656 WeakPolarHBondContact O-CG2 3.3Å; D652-T656 PolarHBondContact O-N 3.47Å; D652-T656 PolarHBondContact O-OG1 3.26Å; T656-V658 WeakPolarHBondContact OG1-CG2 3.2Å |
| 657 | D | 87.2 | Confident | 93.8 | Very high | 66 Ų | 66 | 41.5 Ų | 41.5 | 35% | 0.353 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 49.6 | 179 | -167.7 | 32.7 | 0 | 0 | 0 | 113 | I653 Q655 A659 R702 | I653-D657 PolarHBondContact O-N 3.01Å; Q655-D657 VanDerWaalsContact C-N 3.3Å; D657-A659 VanDerWaalsContact C-N 3.28Å; D657-A659 PolarHBondContact O-N 2.77Å; D657-R702 IonicContact OD1-CZ 3.85Å; D657-R702 IonicContact OD1-NH1 2.72Å; D657-R702 PolarHBondContact OD1-NH1 3.08Å; D657-R702 IonicContact OD1-NH2 3.53Å; D657-R702 IonicContact OD2-CZ 3.34Å; D657-R702 IonicContact OD2-NH1 3.98Å; D657-R702 PolarHBondContact OD2-NH1 3.16Å; D657-R702 IonicContact OD2-NH2 2.85Å; D657-R702 PolarHBondContact OD2-NH2 3.35Å |
| 658 | V | 90.5 | Very high | 94 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | trans | -71.2 | 86.6 | 175.4 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | A608 P611 I653 T656 E660 F661 V662 | A608-V658 WeakPolarHBondContact O-CG2 3.37Å; P611-V658 HydrophobicContact CG-CG1 3.99Å; I653-V658 HydrophobicContact CG2-CB 4.18Å; I653-V658 PolarHBondContact O-N 3.11Å; I653-V658 VanDerWaalsContact O-N 3.08Å; T656-V658 WeakPolarHBondContact OG1-CG2 3.2Å; V658-E660 PolarHBondContact O-N 3.14Å; V658-E660 VanDerWaalsContact O-N 3.08Å; V658-F661 HydrophobicContact CB-CB 4.44Å; V658-F661 HydrophobicContact CG1-CB 4.18Å; V658-F661 HydrophobicContact CG1-CD2 4.2Å; V658-F661 HydrophobicContact CG1-CG 4.15Å; V658-F661 PolarHBondContact O-N 3.42Å; V658-V662 WeakPolarHBondContact O-CG2 3.29Å; V658-V662 PolarHBondContact O-N 2.6Å | ||
| 659 | A | 88.1 | Confident | 94.1 | Very high | 28 Ų | 28 | 34 Ų | 34 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30 | -160.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D657 F661 P663 Y705 S914 | D657-A659 VanDerWaalsContact C-N 3.28Å; D657-A659 PolarHBondContact O-N 2.77Å; A659-F661 VanDerWaalsContact C-N 3.26Å; A659-F661 PolarHBondContact O-N 3.47Å; A659-P663 WeakPolarHBondContact O-CD 3.32Å; A659-Y705 WeakPolarHBondContact CA-OH 3.4Å; A659-Y705 VanDerWaalsContact CB-OH 3.25Å; A659-Y705 WeakPolarHBondContact CB-OH 3.43Å; A659-Y705 WeakPolarHBondContact O-CE1 3.44Å; A659-Y705 PolarHBondContact O-OH 2.89Å; A659-S914 WeakPolarHBondContact O-CB 3.48Å |
| 660 | E | 88.2 | Confident | 94.2 | Very high | 105 Ų | 105 | 33.8 Ų | 33.8 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -26.7 | 176.4 | -59.3 | 81.1 | -178.8 | 0 | 0 | 112.4 | P611 V658 Y664 | P611-E660 HydrophobicContact CG-CB 4.49Å; P611-E660 HydrophobicContact CG-CG 4.4Å; V658-E660 PolarHBondContact O-N 3.14Å; V658-E660 VanDerWaalsContact O-N 3.08Å; E660-Y664 WeakPolarHBondContact O-CD2 3.15Å |
| 661 | F | 94.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -24.3 | -172.3 | -73.8 | 4.8 | 0 | 0 | 0 | 113.9 | V607 A608 P611 N617 M620 F621 I653 V658 A659 P663 Y664 V665 | V607-F661 HydrophobicContact CB-CE2 4.39Å; V607-F661 HydrophobicContact CG1-CE2 4.08Å; V607-F661 HydrophobicContact CG1-CZ 3.74Å; A608-F661 HydrophobicContact CB-CD2 4.07Å; A608-F661 HydrophobicContact CB-CE2 4.2Å; P611-F661 HydrophobicContact CB-CD1 4.4Å; P611-F661 HydrophobicContact CB-CE1 3.69Å; P611-F661 HydrophobicContact CB-CE2 4.29Å; P611-F661 HydrophobicContact CB-CZ 3.64Å; N617-F661 HydrophobicContact CB-CE1 3.67Å; N617-F661 HydrophobicContact CB-CZ 3.99Å; N617-F661 WeakPolarHBondContact ND2-CE1 3.4Å; M620-F661 HydrophobicContact CE-CE2 4.22Å; M620-F661 HydrophobicContact CE-CZ 4.24Å; F621-F661 HydrophobicContact CE2-CB 4.37Å; F621-F661 AromaticContact CE2-CD1 3.91Å; F621-F661 HydrophobicContact CE2-CD1 3.91Å; F621-F661 HydrophobicContact CE2-CD2 4.09Å; F621-F661 HydrophobicContact CE2-CE1 4.17Å; F621-F661 HydrophobicContact CE2-CE2 4.31Å; F621-F661 AromaticContact CE2-CG 3.87Å; F621-F661 HydrophobicContact CE2-CG 3.87Å; F621-F661 HydrophobicContact CE2-CZ 4.34Å; F621-F661 HydrophobicContact CZ-CB 4.16Å; F621-F661 HydrophobicContact CZ-CD1 4.49Å; F621-F661 HydrophobicContact CZ-CD2 4.04Å; F621-F661 AromaticContact CZ-CG 4Å; F621-F661 HydrophobicContact CZ-CG 4Å; I653-F661 HydrophobicContact CD1-CB 4.31Å; I653-F661 HydrophobicContact CD1-CD2 4.01Å; I653-F661 HydrophobicContact CG1-CD2 4.44Å; I653-F661 HydrophobicContact CG2-CB 3.83Å; V658-F661 HydrophobicContact CB-CB 4.44Å; V658-F661 HydrophobicContact CG1-CB 4.18Å; V658-F661 HydrophobicContact CG1-CD2 4.2Å; V658-F661 HydrophobicContact CG1-CG 4.15Å; V658-F661 PolarHBondContact O-N 3.42Å; A659-F661 VanDerWaalsContact C-N 3.26Å; A659-F661 PolarHBondContact O-N 3.47Å; F661-P663 VanDerWaalsContact C-CD 3.49Å; F661-P663 VanDerWaalsContact C-N 3.34Å; F661-Y664 HydrophobicContact CD1-CD2 4.3Å; F661-Y664 WeakPolarHBondContact O-CA 3.5Å; F661-Y664 WeakPolarHBondContact O-CB 3.42Å; F661-Y664 PolarHBondContact O-N 3.48Å; F661-V665 PolarHBondContact O-N 3.5Å |
| 662 | V | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -49.7 | -46.1 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | I653 L654 V658 Y664 V665 F666 Y705 | I653-V662 HydrophobicContact CG2-CG2 4.37Å; L654-V662 HydrophobicContact CD2-CG1 4.01Å; L654-V662 HydrophobicContact CD2-CG2 4.19Å; V658-V662 WeakPolarHBondContact O-CG2 3.29Å; V658-V662 PolarHBondContact O-N 2.6Å; V662-Y664 VanDerWaalsContact C-N 3.32Å; V662-Y664 PolarHBondContact O-N 3.49Å; V662-V665 PolarHBondContact O-N 2.91Å; V662-F666 HydrophobicContact CG1-CD2 3.89Å; V662-F666 HydrophobicContact CG1-CE1 4.23Å; V662-F666 HydrophobicContact CG1-CE2 3.21Å; V662-F666 HydrophobicContact CG1-CZ 3.41Å; V662-F666 VanDerWaalsContact CG1-CZ 3.41Å; V662-F666 WeakPolarHBondContact O-CD2 3.21Å; V662-F666 WeakPolarHBondContact O-CG 3.45Å; V662-F666 PolarHBondContact O-N 3.27Å; V662-F666 VanDerWaalsContact O-N 3.08Å; V662-Y705 HydrophobicContact CB-CE1 3.99Å; V662-Y705 HydrophobicContact CB-CE2 4.05Å; V662-Y705 HydrophobicContact CG1-CD1 4.43Å; V662-Y705 HydrophobicContact CG1-CD2 3.91Å; V662-Y705 HydrophobicContact CG1-CE1 4.14Å; V662-Y705 HydrophobicContact CG1-CE2 3.58Å; V662-Y705 HydrophobicContact CG1-CG 4.33Å; V662-Y705 HydrophobicContact CG2-CE2 4.48Å |
| 663 | P | 95 | Very high | 94.4 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -35.5 | 176.8 | -22.7 | 34 | 0 | 0 | 0 | 113.8 | A659 F661 Q667 Y705 A708 Y916 | A659-P663 WeakPolarHBondContact O-CD 3.32Å; F661-P663 VanDerWaalsContact C-CD 3.49Å; F661-P663 VanDerWaalsContact C-N 3.34Å; P663-Q667 VanDerWaalsContact O-CG 3.28Å; P663-Q667 WeakPolarHBondContact O-CG 3.45Å; P663-Q667 PolarHBondContact O-N 3.12Å; P663-Q667 PolarHBondContact O-NE2 2.85Å; P663-Q667 VanDerWaalsContact O-NE2 3.16Å; P663-Y705 HydrophobicContact CG-CD1 3.63Å; P663-Y705 HydrophobicContact CG-CE1 3.79Å; P663-A708 HydrophobicContact CB-CB 4.28Å; P663-A708 WeakPolarHBondContact O-CB 3.48Å; P663-Y916 HydrophobicContact CB-CD2 4.28Å |
| 664 | Y | 96.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.8 | -44.8 | 176.8 | -67.9 | -61.3 | 0 | 0 | 0 | 111.1 | H618 F621 E660 F661 V662 F666 Q667 V668 S917 L919 | H618-Y664 AromaticContact ND1-CE1 3.61Å; H618-Y664 AromaticContact ND1-CZ 3.9Å; H618-Y664 PolarHBondContact ND1-OH 3.36Å; F621-Y664 HydrophobicContact CB-CD1 4.08Å; F621-Y664 HydrophobicContact CB-CG 4.21Å; F621-Y664 HydrophobicContact CD1-CG 4.48Å; F621-Y664 HydrophobicContact CD2-CD1 4.12Å; F621-Y664 AromaticContact CD2-CD2 3.62Å; F621-Y664 HydrophobicContact CD2-CD2 3.62Å; F621-Y664 HydrophobicContact CD2-CE2 4.33Å; F621-Y664 AromaticContact CD2-CG 3.49Å; F621-Y664 HydrophobicContact CD2-CG 3.49Å; F621-Y664 VanDerWaalsContact CD2-CG 3.49Å; F621-Y664 AromaticContact CE2-CD2 3.76Å; F621-Y664 HydrophobicContact CE2-CD2 3.76Å; F621-Y664 AromaticContact CE2-CG 3.92Å; F621-Y664 HydrophobicContact CE2-CG 3.92Å; F621-Y664 HydrophobicContact CG-CD1 4.22Å; F621-Y664 HydrophobicContact CG-CD2 4.42Å; F621-Y664 AromaticContact CG-CG 3.84Å; F621-Y664 HydrophobicContact CG-CG 3.84Å; E660-Y664 WeakPolarHBondContact O-CD2 3.15Å; F661-Y664 HydrophobicContact CD1-CD2 4.3Å; F661-Y664 WeakPolarHBondContact O-CA 3.5Å; F661-Y664 WeakPolarHBondContact O-CB 3.42Å; F661-Y664 PolarHBondContact O-N 3.48Å; V662-Y664 VanDerWaalsContact C-N 3.32Å; V662-Y664 PolarHBondContact O-N 3.49Å; Y664-F666 VanDerWaalsContact C-N 3.35Å; Y664-F666 PolarHBondContact O-N 2.9Å; Y664-Q667 WeakPolarHBondContact O-CB 3.28Å; Y664-Q667 PolarHBondContact O-N 3.04Å; Y664-Q667 VanDerWaalsContact O-N 3.11Å; Y664-V668 WeakPolarHBondContact O-CG2 3.38Å; Y664-V668 PolarHBondContact O-N 3.33Å; Y664-S917 WeakPolarHBondContact OH-CB 3.02Å; Y664-L919 HydrophobicContact CD1-CD1 3.85Å; Y664-L919 HydrophobicContact CD1-CD2 3.57Å; Y664-L919 HydrophobicContact CD1-CG 3.66Å; Y664-L919 HydrophobicContact CE1-CD2 3.63Å; Y664-L919 HydrophobicContact CE1-CG 4.07Å |
| 665 | V | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.3 | -50 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | F621 F650 I653 L654 F661 V662 Q667 V668 L669 | F621-V665 HydrophobicContact CE1-CG2 4.44Å; F650-V665 HydrophobicContact CB-CG1 3.71Å; F650-V665 HydrophobicContact CB-CG2 4.3Å; F650-V665 HydrophobicContact CD1-CG1 4.35Å; F650-V665 HydrophobicContact CD1-CG2 3.69Å; F650-V665 HydrophobicContact CD2-CG1 3.99Å; F650-V665 HydrophobicContact CE1-CG2 4.17Å; F650-V665 HydrophobicContact CG-CB 4.4Å; F650-V665 HydrophobicContact CG-CG1 3.77Å; F650-V665 HydrophobicContact CG-CG2 3.98Å; I653-V665 HydrophobicContact CB-CG2 4.3Å; I653-V665 HydrophobicContact CD1-CG2 4.06Å; I653-V665 HydrophobicContact CG2-CG2 3.75Å; L654-V665 HydrophobicContact CD1-CG1 4.12Å; L654-V665 HydrophobicContact CD2-CG1 4.29Å; L654-V665 HydrophobicContact CG-CG1 4.18Å; F661-V665 PolarHBondContact O-N 3.5Å; V662-V665 PolarHBondContact O-N 2.91Å; V665-Q667 VanDerWaalsContact C-N 3.29Å; V665-Q667 PolarHBondContact O-N 3.38Å; V665-V668 PolarHBondContact O-N 2.99Å; V665-L669 HydrophobicContact CG1-CD1 3.75Å; V665-L669 HydrophobicContact CG1-CG 4.23Å; V665-L669 WeakPolarHBondContact O-CB 3.16Å; V665-L669 VanDerWaalsContact O-CG 3.27Å; V665-L669 WeakPolarHBondContact O-CG 3.46Å; V665-L669 PolarHBondContact O-N 3.39Å |
| 666 | F | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.5 | -36.6 | 178.3 | -65.3 | -27.1 | 0 | 0 | 0 | 113.2 | L654 V662 Y664 L669 S670 F693 L694 L699 Y705 A708 L709 L712 | L654-F666 HydrophobicContact CD1-CE1 4.44Å; L654-F666 HydrophobicContact CD2-CD1 4.4Å; L654-F666 HydrophobicContact CD2-CE1 3.56Å; L654-F666 HydrophobicContact CD2-CZ 3.9Å; V662-F666 HydrophobicContact CG1-CD2 3.89Å; V662-F666 HydrophobicContact CG1-CE1 4.23Å; V662-F666 HydrophobicContact CG1-CE2 3.21Å; V662-F666 HydrophobicContact CG1-CZ 3.41Å; V662-F666 VanDerWaalsContact CG1-CZ 3.41Å; V662-F666 WeakPolarHBondContact O-CD2 3.21Å; V662-F666 WeakPolarHBondContact O-CG 3.45Å; V662-F666 PolarHBondContact O-N 3.27Å; V662-F666 VanDerWaalsContact O-N 3.08Å; Y664-F666 VanDerWaalsContact C-N 3.35Å; Y664-F666 PolarHBondContact O-N 2.9Å; F666-L669 HydrophobicContact CD1-CD1 4.4Å; F666-S670 WeakPolarHBondContact O-CB 3.22Å; F666-S670 PolarHBondContact O-N 3.28Å; F666-F693 HydrophobicContact CE1-CE1 4.49Å; F666-F693 HydrophobicContact CZ-CE1 4.36Å; F666-L694 HydrophobicContact CD1-CD2 4.18Å; F666-L694 HydrophobicContact CE1-CD2 3.61Å; F666-L694 HydrophobicContact CZ-CD2 4.11Å; F666-L699 HydrophobicContact CZ-CD1 4.46Å; F666-Y705 HydrophobicContact CE2-CD2 4.47Å; F666-A708 HydrophobicContact CB-CB 3.78Å; F666-A708 HydrophobicContact CD2-CB 4.25Å; F666-L709 HydrophobicContact CD2-CD2 3.7Å; F666-L709 HydrophobicContact CD2-CG 3.78Å; F666-L709 HydrophobicContact CE1-CD2 4.29Å; F666-L709 HydrophobicContact CE2-CD1 4.34Å; F666-L709 HydrophobicContact CE2-CD2 3.38Å; F666-L709 HydrophobicContact CE2-CG 3.67Å; F666-L709 HydrophobicContact CG-CD2 4.28Å; F666-L709 HydrophobicContact CZ-CD2 3.72Å; F666-L709 HydrophobicContact CZ-CG 4.49Å; F666-L712 HydrophobicContact CB-CD2 4.2Å; F666-L712 HydrophobicContact CD1-CD2 3.79Å; F666-L712 HydrophobicContact CG-CD2 4.23Å |
| 667 | Q | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.9 | -42.2 | 176.2 | -72.7 | 177.9 | 93.9 | 0 | 0 | 112.4 | P663 Y664 V665 S670 L671 A708 Y916 S917 L919 | P663-Q667 VanDerWaalsContact O-CG 3.28Å; P663-Q667 WeakPolarHBondContact O-CG 3.45Å; P663-Q667 PolarHBondContact O-N 3.12Å; P663-Q667 PolarHBondContact O-NE2 2.85Å; P663-Q667 VanDerWaalsContact O-NE2 3.16Å; Y664-Q667 WeakPolarHBondContact O-CB 3.28Å; Y664-Q667 PolarHBondContact O-N 3.04Å; Y664-Q667 VanDerWaalsContact O-N 3.11Å; V665-Q667 VanDerWaalsContact C-N 3.29Å; V665-Q667 PolarHBondContact O-N 3.38Å; Q667-S670 WeakPolarHBondContact O-CB 3.37Å; Q667-S670 PolarHBondContact O-N 3.03Å; Q667-L671 PolarHBondContact O-N 3.09Å; Q667-A708 HydrophobicContact CG-CB 3.99Å; Q667-Y916 HydrophobicContact CG-CE2 4.35Å; Q667-Y916 PolarHBondContact OE1-OH 2.94Å; Q667-Y916 VanDerWaalsContact OE1-OH 3.08Å; Q667-S917 PolarHBondContact NE2-O 2.82Å; Q667-L919 HydrophobicContact CB-CD1 3.93Å; Q667-L919 HydrophobicContact CB-CG 4.49Å |
| 668 | V | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 177 | -176.4 | 0 | 0 | 0 | 0 | 111 | F621 F650 Y664 V665 S670 L671 M672 L919 | F621-V668 HydrophobicContact CD1-CG2 4.12Å; F650-V668 HydrophobicContact CE2-CB 3.95Å; F650-V668 HydrophobicContact CE2-CG1 3.78Å; F650-V668 HydrophobicContact CZ-CB 4.01Å; F650-V668 HydrophobicContact CZ-CG1 3.86Å; F650-V668 HydrophobicContact CZ-CG2 4.36Å; Y664-V668 WeakPolarHBondContact O-CG2 3.38Å; Y664-V668 PolarHBondContact O-N 3.33Å; V665-V668 PolarHBondContact O-N 2.99Å; V668-S670 VanDerWaalsContact C-N 3.32Å; V668-S670 PolarHBondContact O-N 3.36Å; V668-L671 WeakPolarHBondContact O-CB 3.34Å; V668-L671 PolarHBondContact O-N 3.28Å; V668-M672 HydrophobicContact CG1-CE 4.16Å; V668-M672 HydrophobicContact CG1-SD 4.48Å; V668-M672 WeakPolarHBondContact O-CG 3.44Å; V668-M672 PolarHBondContact O-N 3.3Å; V668-L919 HydrophobicContact CG2-CD1 3.96Å |
| 669 | L | 97.9 | Very high | 94 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.1 | -42.3 | 172.8 | -69.9 | 171.7 | 0 | 0 | 0 | 111.5 | I647 F650 V665 F666 L671 M672 L673 Y687 L690 L712 | I647-L669 HydrophobicContact CG1-CD2 4.36Å; F650-L669 HydrophobicContact CD2-CD2 4.18Å; F650-L669 HydrophobicContact CD2-CG 4.34Å; V665-L669 HydrophobicContact CG1-CD1 3.75Å; V665-L669 HydrophobicContact CG1-CG 4.23Å; V665-L669 WeakPolarHBondContact O-CB 3.16Å; V665-L669 VanDerWaalsContact O-CG 3.27Å; V665-L669 WeakPolarHBondContact O-CG 3.46Å; V665-L669 PolarHBondContact O-N 3.39Å; F666-L669 HydrophobicContact CD1-CD1 4.4Å; L669-L671 VanDerWaalsContact C-N 3.35Å; L669-L671 PolarHBondContact O-N 3.49Å; L669-M672 HydrophobicContact CD2-CE 3.69Å; L669-M672 HydrophobicContact CG-CE 4.41Å; L669-M672 PolarHBondContact O-N 3.35Å; L669-L673 PolarHBondContact O-N 2.72Å; L669-Y687 HydrophobicContact CB-CE1 4.18Å; L669-Y687 HydrophobicContact CD2-CE1 3.68Å; L669-Y687 HydrophobicContact CG-CE1 4.5Å; L669-L690 HydrophobicContact CD1-CD2 3.81Å; L669-L712 HydrophobicContact CB-CD1 3.84Å; L669-L712 HydrophobicContact CB-CD2 4.35Å; L669-L712 HydrophobicContact CD1-CD2 4.31Å |
| 670 | S | 97.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.2 | -180 | 0 | 0 | 0 | 0 | 111.1 | F666 Q667 V668 L673 N674 R711 | F666-S670 WeakPolarHBondContact O-CB 3.22Å; F666-S670 PolarHBondContact O-N 3.28Å; Q667-S670 WeakPolarHBondContact O-CB 3.37Å; Q667-S670 PolarHBondContact O-N 3.03Å; V668-S670 VanDerWaalsContact C-N 3.32Å; V668-S670 PolarHBondContact O-N 3.36Å; S670-L673 PolarHBondContact O-N 3.34Å; S670-N674 WeakPolarHBondContact O-CB 3.42Å; S670-N674 VanDerWaalsContact O-CG 3.31Å; S670-N674 PolarHBondContact O-N 3.46Å; S670-N674 PolarHBondContact O-ND2 2.96Å; S670-N674 PolarHBondContact OG-ND2 3.3Å; S670-R711 PolarHBondContact OG-O 3.32Å |
| 671 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.1 | -50.6 | 174.1 | 168.4 | 64.5 | 0 | 0 | 0 | 111.2 | C625 V628 K629 Q667 V668 L669 L673 N674 M675 V924 | C625-L671 VanDerWaalsContact CA-CD2 3.49Å; C625-L671 HydrophobicContact CB-CD2 3.66Å; C625-L671 WeakPolarHBondContact O-CD2 3.35Å; V628-L671 HydrophobicContact CB-CD2 3.96Å; V628-L671 HydrophobicContact CG1-CD2 3.71Å; V628-L671 HydrophobicContact CG1-CG 3.79Å; K629-L671 HydrophobicContact CG-CD1 4.09Å; K629-L671 HydrophobicContact CG-CD2 4.46Å; Q667-L671 PolarHBondContact O-N 3.09Å; V668-L671 WeakPolarHBondContact O-CB 3.34Å; V668-L671 PolarHBondContact O-N 3.28Å; L669-L671 VanDerWaalsContact C-N 3.35Å; L669-L671 PolarHBondContact O-N 3.49Å; L671-L673 VanDerWaalsContact C-N 3.33Å; L671-L673 PolarHBondContact O-N 3.45Å; L671-N674 PolarHBondContact O-N 3.31Å; L671-N674 VanDerWaalsContact O-N 3.15Å; L671-M675 HydrophobicContact CD1-CG 3.93Å; L671-M675 HydrophobicContact CD1-SD 4.34Å; L671-M675 HydrophobicContact CG-CG 4.4Å; L671-M675 VanDerWaalsContact O-CG 3.25Å; L671-M675 WeakPolarHBondContact O-CG 3.21Å; L671-M675 PolarHBondContact O-N 3.43Å; L671-V924 HydrophobicContact CD1-CG2 3.16Å |
| 672 | M | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | -178.4 | -69.9 | -173.5 | -62.4 | 0 | 0 | 112.2 | V628 F639 E643 L646 I647 F650 V668 L669 M675 Y687 | V628-M672 HydrophobicContact CG1-CG 3.91Å; V628-M672 HydrophobicContact CG2-CG 4Å; V628-M672 HydrophobicContact CG2-SD 4.15Å; F639-M672 HydrophobicContact CE2-CB 4.43Å; F639-M672 HydrophobicContact CE2-CG 4.25Å; F639-M672 HydrophobicContact CZ-CB 4.09Å; F639-M672 HydrophobicContact CZ-CG 4.37Å; F639-M672 WeakPolarHBondContact CZ-O 3.41Å; E643-M672 HydrophobicContact CB-SD 4.01Å; E643-M672 HydrophobicContact CG-CE 4.42Å; E643-M672 HydrophobicContact CG-SD 3.77Å; L646-M672 HydrophobicContact CD1-SD 4.26Å; I647-M672 HydrophobicContact CG1-CE 4.47Å; F650-M672 HydrophobicContact CD2-CE 4.46Å; F650-M672 HydrophobicContact CE2-CE 4.03Å; V668-M672 HydrophobicContact CG1-CE 4.16Å; V668-M672 HydrophobicContact CG1-SD 4.48Å; V668-M672 WeakPolarHBondContact O-CG 3.44Å; V668-M672 PolarHBondContact O-N 3.3Å; L669-M672 HydrophobicContact CD2-CE 3.69Å; L669-M672 HydrophobicContact CG-CE 4.41Å; L669-M672 PolarHBondContact O-N 3.35Å; M672-M675 PolarHBondContact O-N 2.81Å; M672-Y687 WeakPolarHBondContact CB-OH 3.21Å |
| 673 | L | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -44.5 | 172.1 | -73 | -179.7 | 0 | 0 | 0 | 112.5 | L669 S670 L671 M675 R676 Y687 L712 A715 Y716 L719 | L669-L673 PolarHBondContact O-N 2.72Å; S670-L673 PolarHBondContact O-N 3.34Å; L671-L673 VanDerWaalsContact C-N 3.33Å; L671-L673 PolarHBondContact O-N 3.45Å; L673-M675 VanDerWaalsContact C-N 3.27Å; L673-M675 PolarHBondContact O-N 3.03Å; L673-R676 VanDerWaalsContact O-CB 3.31Å; L673-R676 WeakPolarHBondContact O-CB 3.47Å; L673-R676 PolarHBondContact O-N 3.36Å; L673-R676 VanDerWaalsContact O-N 3.15Å; L673-Y687 HydrophobicContact CD1-CD1 3.75Å; L673-Y687 HydrophobicContact CD1-CE1 4.04Å; L673-Y687 HydrophobicContact CD2-CD1 3.67Å; L673-Y687 HydrophobicContact CD2-CD2 4.12Å; L673-Y687 HydrophobicContact CD2-CE1 3.78Å; L673-Y687 HydrophobicContact CD2-CE2 4.21Å; L673-Y687 HydrophobicContact CD2-CG 3.82Å; L673-Y687 HydrophobicContact CG-CD1 3.72Å; L673-Y687 HydrophobicContact CG-CE1 3.6Å; L673-Y687 HydrophobicContact CG-CG 4.4Å; L673-L712 HydrophobicContact CD1-CD1 3.88Å; L673-A715 HydrophobicContact CB-CB 3.74Å; L673-A715 HydrophobicContact CD1-CB 4.14Å; L673-Y716 HydrophobicContact CD1-CD2 3.8Å; L673-Y716 HydrophobicContact CD1-CE1 4.43Å; L673-Y716 HydrophobicContact CD1-CE2 3.7Å; L673-Y716 HydrophobicContact CD1-CG 4.2Å; L673-L719 HydrophobicContact CD2-CD2 3.93Å |
| 674 | N | 94.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 24.4 Ų | 24.4 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -30.6 | 179.8 | -72.8 | -48.3 | 0 | 0 | 0 | 112.4 | S670 L671 R676 I677 I926 | S670-N674 WeakPolarHBondContact O-CB 3.42Å; S670-N674 VanDerWaalsContact O-CG 3.31Å; S670-N674 PolarHBondContact O-N 3.46Å; S670-N674 PolarHBondContact O-ND2 2.96Å; S670-N674 PolarHBondContact OG-ND2 3.3Å; L671-N674 PolarHBondContact O-N 3.31Å; L671-N674 VanDerWaalsContact O-N 3.15Å; N674-R676 PolarHBondContact O-N 2.96Å; N674-R676 VanDerWaalsContact O-N 3.12Å; N674-I677 HydrophobicContact CB-CD1 4.19Å; N674-I677 WeakPolarHBondContact O-CB 3.42Å; N674-I677 WeakPolarHBondContact O-CG1 3.25Å; N674-I677 PolarHBondContact O-N 3.42Å; N674-I677 VanDerWaalsContact O-N 3.13Å; N674-I677 WeakPolarHBondContact OD1-CD1 3.28Å; N674-I926 HydrophobicContact CB-CD1 4.11Å; N674-I926 VanDerWaalsContact OD1-CD1 3.24Å; N674-I926 WeakPolarHBondContact OD1-CD1 3.41Å |
| 675 | M | 93 | Very high | 93.3 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.2 | 175.8 | -74.1 | -64.8 | -69.9 | 0 | 0 | 113.9 | V628 K629 F639 L671 M672 L673 K679 V924 | V628-M675 HydrophobicContact CG1-CG 4.22Å; K629-M675 HydrophobicContact CG-SD 4.43Å; F639-M675 HydrophobicContact CE2-CB 4.19Å; F639-M675 HydrophobicContact CZ-CB 4.2Å; L671-M675 HydrophobicContact CD1-CG 3.93Å; L671-M675 HydrophobicContact CD1-SD 4.34Å; L671-M675 HydrophobicContact CG-CG 4.4Å; L671-M675 VanDerWaalsContact O-CG 3.25Å; L671-M675 WeakPolarHBondContact O-CG 3.21Å; L671-M675 PolarHBondContact O-N 3.43Å; M672-M675 PolarHBondContact O-N 2.81Å; L673-M675 VanDerWaalsContact C-N 3.27Å; L673-M675 PolarHBondContact O-N 3.03Å; M675-K679 WeakPolarHBondContact O-CD 3.33Å; M675-K679 WeakPolarHBondContact O-CE 3.34Å; M675-K679 PolarHBondContact O-NZ 2.91Å; M675-V924 HydrophobicContact CG-CG2 4.43Å; M675-V924 HydrophobicContact SD-CG1 4.11Å; M675-V924 HydrophobicContact SD-CG2 3.95Å |
| 676 | R | 92.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 34 Ų | 34 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -20 | 177.6 | -65.7 | 169.3 | 170.5 | -74.8 | -7.2 | 113.1 | F639 E643 L673 N674 G678 K679 E681 L719 | F639-R676 HydrophobicContact CE1-CG 4.32Å; E643-R676 IonicContact OE1-CZ 3.55Å; E643-R676 IonicContact OE1-NE 3.57Å; E643-R676 IonicContact OE1-NH2 2.67Å; E643-R676 PolarHBondContact OE1-NH2 3.06Å; E643-R676 IonicContact OE2-CZ 3.47Å; E643-R676 IonicContact OE2-NH2 2.67Å; E643-R676 PolarHBondContact OE2-NH2 3.16Å; L673-R676 VanDerWaalsContact O-CB 3.31Å; L673-R676 WeakPolarHBondContact O-CB 3.47Å; L673-R676 PolarHBondContact O-N 3.36Å; L673-R676 VanDerWaalsContact O-N 3.15Å; N674-R676 PolarHBondContact O-N 2.96Å; N674-R676 VanDerWaalsContact O-N 3.12Å; R676-G678 PolarHBondContact O-N 2.94Å; R676-K679 PolarHBondContact O-N 3.12Å; R676-K679 VanDerWaalsContact O-N 3.14Å; R676-E681 HydrophobicContact CB-CB 3.91Å; R676-E681 HydrophobicContact CB-CG 4.39Å; R676-E681 HydrophobicContact CG-CB 4.18Å; R676-E681 HydrophobicContact CG-CG 4.38Å; R676-E681 IonicContact CZ-OE2 3.71Å; R676-E681 IonicContact NH1-OE2 2.78Å; R676-E681 PolarHBondContact NH1-OE2 2.92Å; R676-L719 HydrophobicContact CB-CD1 3.83Å; R676-L719 HydrophobicContact CB-CD2 4.1Å |
| 677 | I | 89.6 | Confident | 93 | Very high | 37 Ų | 37 | 34.2 Ų | 34.2 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 133.3 | -176.4 | -61.7 | 169.3 | 0 | 0 | 0 | 109.8 | N674 K679 R718 L719 W760 I926 | N674-I677 HydrophobicContact CB-CD1 4.19Å; N674-I677 WeakPolarHBondContact O-CB 3.42Å; N674-I677 WeakPolarHBondContact O-CG1 3.25Å; N674-I677 PolarHBondContact O-N 3.42Å; N674-I677 VanDerWaalsContact O-N 3.13Å; N674-I677 WeakPolarHBondContact OD1-CD1 3.28Å; I677-K679 VanDerWaalsContact C-N 3.26Å; I677-K679 PolarHBondContact O-N 3.38Å; I677-R718 HydrophobicContact CD1-CB 3.59Å; I677-R718 HydrophobicContact CD1-CG 4.4Å; I677-R718 HydrophobicContact CG1-CB 4.41Å; I677-L719 HydrophobicContact CG1-CD1 4.35Å; I677-W760 HydrophobicContact CG2-CH2 4.4Å; I677-W760 HydrophobicContact CG2-CZ3 4.39Å; I677-I926 HydrophobicContact CD1-CD1 3.95Å; I677-I926 HydrophobicContact CD1-CG1 4.31Å; I677-I926 HydrophobicContact CD1-CG2 4.02Å; I677-I926 HydrophobicContact CG2-CG2 4.26Å |
| 678 | G | 84.8 | Confident | 92.8 | Very high | 85 Ų | 85 | 37.2 Ų | 37.2 | 88% | 0.876 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 1.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | R676 | R676-G678 PolarHBondContact O-N 2.94Š|
| 679 | K | 87.4 | Confident | 92.6 | Very high | 87 Ų | 87 | 40.9 Ų | 40.9 | 38% | 0.378 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 4.9 | -179.3 | -61.7 | -177.2 | -176.4 | 158.8 | 0 | 115 | G632 M636 M675 R676 I677 E681 | G632-K679 PolarHBondContact O-NZ 2.95Å; M636-K679 HydrophobicContact CG-CD 4.23Å; M636-K679 HydrophobicContact SD-CD 3.61Å; M675-K679 WeakPolarHBondContact O-CD 3.33Å; M675-K679 WeakPolarHBondContact O-CE 3.34Å; M675-K679 PolarHBondContact O-NZ 2.91Å; R676-K679 PolarHBondContact O-N 3.12Å; R676-K679 VanDerWaalsContact O-N 3.14Å; I677-K679 VanDerWaalsContact C-N 3.26Å; I677-K679 PolarHBondContact O-N 3.38Å; K679-E681 VanDerWaalsContact C-N 3.3Å; K679-E681 PolarHBondContact O-N 2.82Å |
| 680 | G | 84.9 | Confident | 92.5 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 86% | 0.856 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 11.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 681 | E | 88.7 | Confident | 92.4 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | trans | -83.4 | 148.6 | 174.7 | -64 | -77.3 | 109.5 | 0 | 0 | 111.1 | M636 R640 R676 K679 | M636-E681 HydrophobicContact CE-CG 3.76Å; R640-E681 IonicContact CZ-OE1 3.51Å; R640-E681 IonicContact CZ-OE2 2.61Å; R640-E681 IonicContact NE-OE2 3.55Å; R640-E681 PolarHBondContact NE-OE2 3.12Å; R640-E681 VanDerWaalsContact NE-OE2 3.1Å; R640-E681 VanDerWaalsContact NH2-CD 3.33Å; R640-E681 IonicContact NH2-OE1 3.32Å; R640-E681 PolarHBondContact NH2-OE1 2.82Å; R640-E681 IonicContact NH2-OE2 3.76Å; R640-E681 PolarHBondContact NH2-OE2 2.98Å; R676-E681 HydrophobicContact CB-CB 3.91Å; R676-E681 HydrophobicContact CB-CG 4.39Å; R676-E681 HydrophobicContact CG-CB 4.18Å; R676-E681 HydrophobicContact CG-CG 4.38Å; R676-E681 IonicContact CZ-OE2 3.71Å; R676-E681 IonicContact NH1-OE2 2.78Å; R676-E681 PolarHBondContact NH1-OE2 2.92Å; K679-E681 VanDerWaalsContact C-N 3.3Å; K679-E681 PolarHBondContact O-N 2.82Å | ||
| 682 | S | 89.8 | Confident | 92.3 | Very high | 74 Ų | 74 | 47 Ų | 47 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | trans | -95 | 175.4 | 169 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | P684 | S682-P684 WeakPolarHBondContact O-CD 3.34Š| ||
| 683 | I | 92.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | trans | -67.6 | 122.3 | 171.1 | -56.1 | 166.1 | 0 | 0 | 0 | 108.3 | L688 Y716 L719 I725 M729 | I683-L688 HydrophobicContact CB-CD2 4.11Å; I683-L688 HydrophobicContact CB-CG 4.39Å; I683-L688 HydrophobicContact CD1-CD2 4.38Å; I683-L688 HydrophobicContact CG2-CD2 3.67Å; I683-L688 HydrophobicContact CG2-CG 3.88Å; I683-Y716 HydrophobicContact CD1-CD1 4.22Å; I683-Y716 HydrophobicContact CG2-CD1 4.16Å; I683-Y716 HydrophobicContact CG2-CE1 3.97Å; I683-L719 HydrophobicContact CB-CD2 4.38Å; I683-L719 HydrophobicContact CG1-CB 4.05Å; I683-L719 HydrophobicContact CG1-CD2 3.8Å; I683-L719 HydrophobicContact CG1-CG 3.93Å; I683-I725 HydrophobicContact CD1-CG2 4.36Å; I683-M729 HydrophobicContact CD1-CE 4.36Å | ||
| 684 | P | 93.7 | Very high | 92.2 | Very high | 31 Ų | 31 | 49.8 Ų | 49.8 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | trans | -68.6 | 153.6 | 179.3 | -15 | 27.9 | 0 | 0 | 0 | 112.6 | S682 A686 Y687 L688 | S682-P684 WeakPolarHBondContact O-CD 3.34Å; P684-A686 VanDerWaalsContact C-N 3.29Å; P684-A686 PolarHBondContact O-N 3.36Å; P684-Y687 HydrophobicContact CB-CD2 3.83Å; P684-Y687 HydrophobicContact CB-CE2 4.32Å; P684-Y687 HydrophobicContact CG-CD2 3.67Å; P684-Y687 HydrophobicContact CG-CE2 3.88Å; P684-Y687 WeakPolarHBondContact O-CB 3.46Å; P684-Y687 PolarHBondContact O-N 3.39Å; P684-L688 PolarHBondContact O-N 3.47Å | ||
| 685 | E | 92.2 | Very high | 92.2 | Very high | 170 Ų | 170 | 51.5 Ų | 51.5 | 79% | 0.794 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.4 | -38.4 | -176 | -172.2 | 174.7 | -173.3 | 0 | 0 | 113.3 | Y687 L688 A689 | E685-Y687 VanDerWaalsContact C-N 3.26Å; E685-Y687 PolarHBondContact O-N 2.92Å; E685-L688 PolarHBondContact O-N 2.63Å; E685-L688 VanDerWaalsContact O-N 3.15Å; E685-A689 PolarHBondContact O-N 3.27Å |
| 686 | A | 92.8 | Very high | 92.2 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.8 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P684 L690 | P684-A686 VanDerWaalsContact C-N 3.29Å; P684-A686 PolarHBondContact O-N 3.36Å; A686-L690 WeakPolarHBondContact O-CB 3.46Å; A686-L690 PolarHBondContact O-N 3.48Å; A686-L690 VanDerWaalsContact O-N 3.14Å |
| 687 | Y | 95.2 | Very high | 92 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -74.8 | -40.3 | 176 | -70.4 | -93.9 | 0 | 0 | 0 | 110.8 | E643 I647 L669 M672 L673 P684 E685 A689 L690 H691 Y716 | E643-Y687 VanDerWaalsContact OE1-CE2 3.31Å; E643-Y687 WeakPolarHBondContact OE1-CE2 3.44Å; E643-Y687 PolarHBondContact OE1-OH 2.89Å; I647-Y687 HydrophobicContact CD1-CE2 4.08Å; L669-Y687 HydrophobicContact CB-CE1 4.18Å; L669-Y687 HydrophobicContact CD2-CE1 3.68Å; L669-Y687 HydrophobicContact CG-CE1 4.5Å; M672-Y687 WeakPolarHBondContact CB-OH 3.21Å; L673-Y687 HydrophobicContact CD1-CD1 3.75Å; L673-Y687 HydrophobicContact CD1-CE1 4.04Å; L673-Y687 HydrophobicContact CD2-CD1 3.67Å; L673-Y687 HydrophobicContact CD2-CD2 4.12Å; L673-Y687 HydrophobicContact CD2-CE1 3.78Å; L673-Y687 HydrophobicContact CD2-CE2 4.21Å; L673-Y687 HydrophobicContact CD2-CG 3.82Å; L673-Y687 HydrophobicContact CG-CD1 3.72Å; L673-Y687 HydrophobicContact CG-CE1 3.6Å; L673-Y687 HydrophobicContact CG-CG 4.4Å; P684-Y687 HydrophobicContact CB-CD2 3.83Å; P684-Y687 HydrophobicContact CB-CE2 4.32Å; P684-Y687 HydrophobicContact CG-CD2 3.67Å; P684-Y687 HydrophobicContact CG-CE2 3.88Å; P684-Y687 WeakPolarHBondContact O-CB 3.46Å; P684-Y687 PolarHBondContact O-N 3.39Å; E685-Y687 VanDerWaalsContact C-N 3.26Å; E685-Y687 PolarHBondContact O-N 2.92Å; Y687-A689 VanDerWaalsContact C-N 3.29Å; Y687-A689 PolarHBondContact O-N 2.88Å; Y687-L690 WeakPolarHBondContact O-CB 3.37Å; Y687-L690 PolarHBondContact O-N 3.02Å; Y687-L690 VanDerWaalsContact O-N 3.1Å; Y687-H691 PolarHBondContact O-N 3.28Å; Y687-Y716 WeakPolarHBondContact CA-OH 2.69Å; Y687-Y716 VanDerWaalsContact CB-OH 3.31Å; Y687-Y716 WeakPolarHBondContact CB-OH 3.37Å; Y687-Y716 PolarHBondContact O-OH 3.42Å |
| 688 | L | 94 | Very high | 91.8 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 173.5 | -64.3 | 178.5 | 0 | 0 | 0 | 112.1 | I683 P684 E685 L690 H691 P692 I725 M729 | I683-L688 HydrophobicContact CB-CD2 4.11Å; I683-L688 HydrophobicContact CB-CG 4.39Å; I683-L688 HydrophobicContact CD1-CD2 4.38Å; I683-L688 HydrophobicContact CG2-CD2 3.67Å; I683-L688 HydrophobicContact CG2-CG 3.88Å; P684-L688 PolarHBondContact O-N 3.47Å; E685-L688 PolarHBondContact O-N 2.63Å; E685-L688 VanDerWaalsContact O-N 3.15Å; L688-L690 VanDerWaalsContact C-N 3.31Å; L688-L690 PolarHBondContact O-N 2.83Å; L688-H691 WeakPolarHBondContact O-CB 3.49Å; L688-H691 PolarHBondContact O-N 2.76Å; L688-P692 WeakPolarHBondContact O-CD 3.4Å; L688-I725 HydrophobicContact CD1-CD1 4.19Å; L688-I725 HydrophobicContact CD2-CD1 3.5Å; L688-M729 HydrophobicContact CD2-CE 3.62Å |
| 689 | A | 94 | Very high | 92.1 | Very high | 77 Ų | 77 | 54 Ų | 54 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.3 | -31.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E685 Y687 | E685-A689 PolarHBondContact O-N 3.27Å; Y687-A689 VanDerWaalsContact C-N 3.29Å; Y687-A689 PolarHBondContact O-N 2.88Å |
| 690 | L | 94.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.6 | -28.2 | 176.5 | -175.8 | 63.3 | 0 | 0 | 0 | 112.5 | L654 L669 A686 Y687 L688 F693 L694 | L654-L690 HydrophobicContact CD1-CD1 4.07Å; L669-L690 HydrophobicContact CD1-CD2 3.81Å; A686-L690 WeakPolarHBondContact O-CB 3.46Å; A686-L690 PolarHBondContact O-N 3.48Å; A686-L690 VanDerWaalsContact O-N 3.14Å; Y687-L690 WeakPolarHBondContact O-CB 3.37Å; Y687-L690 PolarHBondContact O-N 3.02Å; Y687-L690 VanDerWaalsContact O-N 3.1Å; L688-L690 VanDerWaalsContact C-N 3.31Å; L688-L690 PolarHBondContact O-N 2.83Å; L690-F693 HydrophobicContact CD1-CB 4.39Å; L690-F693 HydrophobicContact CD1-CD1 3.67Å; L690-F693 HydrophobicContact CD1-CE1 4.42Å; L690-F693 HydrophobicContact CD1-CG 4.39Å; L690-F693 WeakPolarHBondContact O-CB 3.26Å; L690-F693 PolarHBondContact O-N 3.47Å; L690-L694 HydrophobicContact CD2-CD2 4.39Å; L690-L694 HydrophobicContact CG-CD1 4.38Å; L690-L694 HydrophobicContact CG-CD2 4.15Å; L690-L694 HydrophobicContact CG-CG 4.16Å; L690-L694 PolarHBondContact O-N 3.4Å |
| 691 | H | 95.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.3 | -47 | -171.5 | 179.1 | -99.2 | 0 | 0 | 0 | 114.7 | Y687 L688 F693 L694 Y716 M729 S732 | Y687-H691 PolarHBondContact O-N 3.28Å; L688-H691 WeakPolarHBondContact O-CB 3.49Å; L688-H691 PolarHBondContact O-N 2.76Å; H691-F693 VanDerWaalsContact C-N 3.27Å; H691-F693 PolarHBondContact O-N 3Å; H691-L694 WeakPolarHBondContact O-CB 3.44Å; H691-L694 PolarHBondContact O-N 3.27Å; H691-L694 VanDerWaalsContact O-N 3.09Å; H691-Y716 HydrophobicContact CB-CE1 4.31Å; H691-M729 VanDerWaalsContact CD2-SD 3.51Å; H691-M729 PolarHBondContact NE2-SD 3.41Å; H691-S732 PolarHBondContact CE1-OG 3.3Å; H691-S732 PolarHBondContact NE2-OG 3.14Å |
| 692 | P | 95.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 53% | 0.532 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.5 | -33.6 | 177.5 | -24.5 | 35.1 | 0 | 0 | 0 | 114.2 | L688 L695 | L688-P692 WeakPolarHBondContact O-CD 3.4Å; P692-L695 PolarHBondContact O-N 3.46Å |
| 693 | F | 94.9 | Very high | 91.7 | Very high | 57 Ų | 57 | 51 Ų | 51 | 25% | 0.25 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.1 | 166.1 | -101 | 0 | 0 | 0 | 111.3 | L654 F666 L690 H691 L695 Q696 L699 | L654-F693 HydrophobicContact CD2-CE1 4.18Å; F666-F693 HydrophobicContact CE1-CE1 4.49Å; F666-F693 HydrophobicContact CZ-CE1 4.36Å; L690-F693 HydrophobicContact CD1-CB 4.39Å; L690-F693 HydrophobicContact CD1-CD1 3.67Å; L690-F693 HydrophobicContact CD1-CE1 4.42Å; L690-F693 HydrophobicContact CD1-CG 4.39Å; L690-F693 WeakPolarHBondContact O-CB 3.26Å; L690-F693 PolarHBondContact O-N 3.47Å; H691-F693 VanDerWaalsContact C-N 3.27Å; H691-F693 PolarHBondContact O-N 3Å; F693-L695 PolarHBondContact O-N 3.43Å; F693-L695 VanDerWaalsContact O-N 3.09Å; F693-Q696 WeakPolarHBondContact O-CB 3.28Å; F693-Q696 WeakPolarHBondContact O-CG 3.45Å; F693-Q696 PolarHBondContact O-N 3.33Å; F693-Q696 VanDerWaalsContact O-N 3.13Å; F693-L699 HydrophobicContact CD1-CD1 4.09Å; F693-L699 HydrophobicContact CD2-CD1 4.5Å; F693-L699 HydrophobicContact CE1-CD1 3.74Å; F693-L699 HydrophobicContact CE2-CD1 4.18Å; F693-L699 HydrophobicContact CE2-CD2 4.47Å; F693-L699 HydrophobicContact CG-CD1 4.47Å; F693-L699 HydrophobicContact CZ-CD1 3.81Å; F693-L699 HydrophobicContact CZ-CD2 3.99Å; F693-L699 HydrophobicContact CZ-CG 4.43Å; F693-L699 VanDerWaalsContact O-CD1 3.22Å; F693-L699 WeakPolarHBondContact O-CD1 3.43Å |
| 694 | L | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -17.9 | 179.4 | -55.4 | 178 | 0 | 0 | 0 | 113.6 | F666 L690 H691 W700 L709 L712 L713 Y716 | F666-L694 HydrophobicContact CD1-CD2 4.18Å; F666-L694 HydrophobicContact CE1-CD2 3.61Å; F666-L694 HydrophobicContact CZ-CD2 4.11Å; L690-L694 HydrophobicContact CD2-CD2 4.39Å; L690-L694 HydrophobicContact CG-CD1 4.38Å; L690-L694 HydrophobicContact CG-CD2 4.15Å; L690-L694 HydrophobicContact CG-CG 4.16Å; L690-L694 PolarHBondContact O-N 3.4Å; H691-L694 WeakPolarHBondContact O-CB 3.44Å; H691-L694 PolarHBondContact O-N 3.27Å; H691-L694 VanDerWaalsContact O-N 3.09Å; L694-W700 PolarHBondContact O-NE1 3.16Å; L694-L709 HydrophobicContact CB-CD2 4.42Å; L694-L709 HydrophobicContact CD2-CD2 4Å; L694-L712 HydrophobicContact CD1-CD2 3.6Å; L694-L712 HydrophobicContact CD1-CG 4.04Å; L694-L712 HydrophobicContact CD2-CD2 3.92Å; L694-L712 HydrophobicContact CG-CD2 4.43Å; L694-L713 HydrophobicContact CD1-CD2 4.42Å; L694-Y716 HydrophobicContact CD1-CE2 3.75Å |
| 695 | L | 95.1 | Very high | 91.3 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6.6 | -179.3 | -55.3 | 176.8 | 0 | 0 | 0 | 113.5 | P692 F693 A697 I736 | P692-L695 PolarHBondContact O-N 3.46Å; F693-L695 PolarHBondContact O-N 3.43Å; F693-L695 VanDerWaalsContact O-N 3.09Å; L695-A697 PolarHBondContact O-N 3.27Å; L695-I736 HydrophobicContact CB-CD1 4.37Å; L695-I736 HydrophobicContact CD2-CD1 3.42Å; L695-I736 VanDerWaalsContact CD2-CD1 3.42Å; L695-I736 HydrophobicContact CG-CD1 4.49Å |
| 696 | Q | 93.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 41.2 Ų | 41.2 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | trans | -66.6 | 130.7 | -177.4 | -67 | -179 | 0.7 | 0 | 0 | 111.7 | F693 C698 L699 | F693-Q696 WeakPolarHBondContact O-CB 3.28Å; F693-Q696 WeakPolarHBondContact O-CG 3.45Å; F693-Q696 PolarHBondContact O-N 3.33Å; F693-Q696 VanDerWaalsContact O-N 3.13Å; Q696-C698 PolarHBondContact O-N 2.92Å; Q696-C698 VanDerWaalsContact O-N 3.15Å; Q696-L699 PolarHBondContact O-N 2.94Å; Q696-L699 VanDerWaalsContact O-N 3.11Å | ||
| 697 | A | 88.3 | Confident | 91.4 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -53.3 | -38.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L695 L699 W700 E701 | L695-A697 PolarHBondContact O-N 3.27Å; A697-L699 PolarHBondContact O-N 3.18Å; A697-W700 PolarHBondContact O-N 3.31Å; A697-E701 PolarHBondContact O-N 3.23Å; A697-E701 VanDerWaalsContact O-N 3.17Å |
| 698 | C | 86.3 | Confident | 91.4 | Very high | 63 Ų | 63 | 39.6 Ų | 39.6 | 43% | 0.426 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.1 | -31.7 | -179.1 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | Q696 W700 | Q696-C698 PolarHBondContact O-N 2.92Å; Q696-C698 VanDerWaalsContact O-N 3.15Å; C698-W700 VanDerWaalsContact C-N 3.34Å |
| 699 | L | 90.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.7 | -30.6 | 176.8 | -62.3 | 180 | 0 | 0 | 0 | 111.9 | F666 F693 Q696 A697 Y705 L709 | F666-L699 HydrophobicContact CZ-CD1 4.46Å; F693-L699 HydrophobicContact CD1-CD1 4.09Å; F693-L699 HydrophobicContact CD2-CD1 4.5Å; F693-L699 HydrophobicContact CE1-CD1 3.74Å; F693-L699 HydrophobicContact CE2-CD1 4.18Å; F693-L699 HydrophobicContact CE2-CD2 4.47Å; F693-L699 HydrophobicContact CG-CD1 4.47Å; F693-L699 HydrophobicContact CZ-CD1 3.81Å; F693-L699 HydrophobicContact CZ-CD2 3.99Å; F693-L699 HydrophobicContact CZ-CG 4.43Å; F693-L699 VanDerWaalsContact O-CD1 3.22Å; F693-L699 WeakPolarHBondContact O-CD1 3.43Å; Q696-L699 PolarHBondContact O-N 2.94Å; Q696-L699 VanDerWaalsContact O-N 3.11Å; A697-L699 PolarHBondContact O-N 3.18Å; L699-Y705 HydrophobicContact CB-CD2 4.48Å; L699-Y705 HydrophobicContact CD2-CD2 4.12Å; L699-Y705 HydrophobicContact CD2-CE2 4.15Å; L699-Y705 WeakPolarHBondContact O-CB 3.5Å; L699-L709 HydrophobicContact CB-CD1 3.94Å |
| 700 | W | 90.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 33 Ų | 33 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -85.6 | -14 | -178 | -65.8 | 91 | 0 | 0 | 0 | 113.4 | L694 A697 C698 R702 V706 L709 V710 L713 I736 L740 | L694-W700 PolarHBondContact O-NE1 3.16Å; A697-W700 PolarHBondContact O-N 3.31Å; C698-W700 VanDerWaalsContact C-N 3.34Å; W700-R702 VanDerWaalsContact C-N 3.35Å; W700-V706 HydrophobicContact CE3-CG1 4.21Å; W700-V706 HydrophobicContact CE3-CG2 4.2Å; W700-V706 HydrophobicContact CZ3-CG1 4.08Å; W700-L709 HydrophobicContact CD2-CD1 4.05Å; W700-L709 HydrophobicContact CE3-CD1 4.35Å; W700-L709 HydrophobicContact CG-CD1 4.48Å; W700-L709 HydrophobicContact CH2-CB 3.57Å; W700-L709 HydrophobicContact CH2-CD1 4.44Å; W700-L709 HydrophobicContact CZ2-CB 3.75Å; W700-L709 HydrophobicContact CZ2-CD1 4.11Å; W700-L709 HydrophobicContact CZ2-CG 4.39Å; W700-L709 HydrophobicContact CZ3-CB 4.05Å; W700-V710 HydrophobicContact CH2-CG2 3.97Å; W700-V710 HydrophobicContact CZ3-CG2 3.81Å; W700-L713 HydrophobicContact CH2-CD1 3.84Å; W700-L713 HydrophobicContact CZ2-CD1 3.6Å; W700-I736 HydrophobicContact CD2-CG2 3.82Å; W700-I736 HydrophobicContact CE3-CG2 3.77Å; W700-I736 HydrophobicContact CH2-CG2 3.62Å; W700-I736 HydrophobicContact CZ2-CD1 3.84Å; W700-I736 HydrophobicContact CZ2-CG2 3.68Å; W700-I736 HydrophobicContact CZ3-CG2 3.67Å; W700-L740 HydrophobicContact CE3-CD1 4.24Å; W700-L740 HydrophobicContact CE3-CD2 4.04Å; W700-L740 HydrophobicContact CE3-CG 4.45Å; W700-L740 HydrophobicContact CZ3-CD1 3.74Å; W700-L740 HydrophobicContact CZ3-CD2 4.25Å; W700-L740 HydrophobicContact CZ3-CG 4.43Å |
| 701 | E | 84.8 | Confident | 91.7 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 38% | 0.383 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -74.9 | -26.1 | 170.7 | -72.5 | 163.7 | -147.2 | 0 | 0 | 112 | A697 H703 | A697-E701 PolarHBondContact O-N 3.23Å; A697-E701 VanDerWaalsContact O-N 3.17Å; E701-H703 PolarHBondContact O-N 3.25Å |
| 702 | R | 85.3 | Confident | 91.8 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 28% | 0.279 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -81.2 | 112 | 179.1 | -68.5 | -178.3 | -180 | -179.8 | 7.6 | 110.9 | D657 W700 G704 Y705 | D657-R702 IonicContact OD1-CZ 3.85Å; D657-R702 IonicContact OD1-NH1 2.72Å; D657-R702 PolarHBondContact OD1-NH1 3.08Å; D657-R702 IonicContact OD1-NH2 3.53Å; D657-R702 IonicContact OD2-CZ 3.34Å; D657-R702 IonicContact OD2-NH1 3.98Å; D657-R702 PolarHBondContact OD2-NH1 3.16Å; D657-R702 IonicContact OD2-NH2 2.85Å; D657-R702 PolarHBondContact OD2-NH2 3.35Å; W700-R702 VanDerWaalsContact C-N 3.35Å; R702-G704 VanDerWaalsContact C-N 3.27Å; R702-G704 PolarHBondContact O-N 3Å; R702-G704 VanDerWaalsContact O-N 3.15Å; R702-Y705 HydrophobicContact CB-CD1 4.12Å; R702-Y705 HydrophobicContact CB-CD2 3.84Å; R702-Y705 HydrophobicContact CB-CE1 4.44Å; R702-Y705 HydrophobicContact CB-CE2 4.17Å; R702-Y705 HydrophobicContact CB-CG 3.81Å; R702-Y705 VanDerWaalsContact CD-CZ 3.5Å; R702-Y705 HydrophobicContact CG-CD2 4.42Å; R702-Y705 HydrophobicContact CG-CE2 4.33Å; R702-Y705 PolarHBondContact NH1-OH 3.29Å; R702-Y705 PolarHBondContact O-N 3.43Å |
| 703 | H | 81.5 | Confident | 91.9 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 27% | 0.269 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.9 | -172.6 | -78.8 | -102.3 | 0 | 0 | 0 | 113.8 | D72 E701 Y705 R746 D913 | D72-H703 IonicContact OD2-CE1 2.66Å; D72-H703 PolarHBondContact OD2-CE1 3.25Å; D72-H703 IonicContact OD2-NE2 3.66Å; E701-H703 PolarHBondContact O-N 3.25Å; H703-Y705 VanDerWaalsContact C-N 3.27Å; H703-Y705 PolarHBondContact O-N 2.84Å; H703-R746 VanDerWaalsContact C-NH2 3.29Å; H703-R746 PolarHBondContact ND1-NH2 2.92Å; H703-R746 VanDerWaalsContact ND1-NH2 3.18Å; H703-R746 PolarHBondContact O-NH2 2.96Å; H703-D913 IonicContact CD2-OD2 2.62Å; H703-D913 PolarHBondContact CD2-OD2 3.13Å; H703-D913 IonicContact CG-OD2 3.91Å |
| 704 | G | 84.9 | Confident | 91.9 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -18.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R702 S914 Y916 | R702-G704 VanDerWaalsContact C-N 3.27Å; R702-G704 PolarHBondContact O-N 3Å; R702-G704 VanDerWaalsContact O-N 3.15Å; G704-S914 WeakPolarHBondContact CA-O 2.93Å; G704-S914 PolarHBondContact N-O 3.45Å; G704-Y916 WeakPolarHBondContact O-CB 3.27Å; G704-Y916 WeakPolarHBondContact O-CD2 3.49Å |
| 705 | Y | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -33.8 | -170.8 | -69.6 | 11.9 | 0 | 0 | 0 | 111.2 | A659 V662 P663 F666 L699 R702 H703 A708 L709 S914 | A659-Y705 WeakPolarHBondContact CA-OH 3.4Å; A659-Y705 VanDerWaalsContact CB-OH 3.25Å; A659-Y705 WeakPolarHBondContact CB-OH 3.43Å; A659-Y705 WeakPolarHBondContact O-CE1 3.44Å; A659-Y705 PolarHBondContact O-OH 2.89Å; V662-Y705 HydrophobicContact CB-CE1 3.99Å; V662-Y705 HydrophobicContact CB-CE2 4.05Å; V662-Y705 HydrophobicContact CG1-CD1 4.43Å; V662-Y705 HydrophobicContact CG1-CD2 3.91Å; V662-Y705 HydrophobicContact CG1-CE1 4.14Å; V662-Y705 HydrophobicContact CG1-CE2 3.58Å; V662-Y705 HydrophobicContact CG1-CG 4.33Å; V662-Y705 HydrophobicContact CG2-CE2 4.48Å; P663-Y705 HydrophobicContact CG-CD1 3.63Å; P663-Y705 HydrophobicContact CG-CE1 3.79Å; F666-Y705 HydrophobicContact CE2-CD2 4.47Å; L699-Y705 HydrophobicContact CB-CD2 4.48Å; L699-Y705 HydrophobicContact CD2-CD2 4.12Å; L699-Y705 HydrophobicContact CD2-CE2 4.15Å; L699-Y705 WeakPolarHBondContact O-CB 3.5Å; R702-Y705 HydrophobicContact CB-CD1 4.12Å; R702-Y705 HydrophobicContact CB-CD2 3.84Å; R702-Y705 HydrophobicContact CB-CE1 4.44Å; R702-Y705 HydrophobicContact CB-CE2 4.17Å; R702-Y705 HydrophobicContact CB-CG 3.81Å; R702-Y705 VanDerWaalsContact CD-CZ 3.5Å; R702-Y705 HydrophobicContact CG-CD2 4.42Å; R702-Y705 HydrophobicContact CG-CE2 4.33Å; R702-Y705 PolarHBondContact NH1-OH 3.29Å; R702-Y705 PolarHBondContact O-N 3.43Å; H703-Y705 VanDerWaalsContact C-N 3.27Å; H703-Y705 PolarHBondContact O-N 2.84Å; Y705-A708 PolarHBondContact O-N 3.18Å; Y705-A708 VanDerWaalsContact O-N 3.08Å; Y705-L709 WeakPolarHBondContact O-CG 3.31Å; Y705-L709 PolarHBondContact O-N 3.32Å; Y705-S914 VanDerWaalsContact CD1-OG 3.25Å; Y705-S914 WeakPolarHBondContact CD1-OG 3.42Å; Y705-S914 WeakPolarHBondContact CE1-OG 3.45Å |
| 706 | V | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -51 | -51.1 | -171.6 | 176.8 | 0 | 0 | 0 | 0 | 113 | W700 A708 L709 V710 L740 D749 | W700-V706 HydrophobicContact CE3-CG1 4.21Å; W700-V706 HydrophobicContact CE3-CG2 4.2Å; W700-V706 HydrophobicContact CZ3-CG1 4.08Å; V706-A708 VanDerWaalsContact C-N 3.31Å; V706-A708 PolarHBondContact O-N 2.86Å; V706-L709 PolarHBondContact O-N 2.88Å; V706-V710 HydrophobicContact CG1-CG2 4.48Å; V706-V710 WeakPolarHBondContact O-CG2 3.4Å; V706-V710 PolarHBondContact O-N 3.07Å; V706-L740 HydrophobicContact CG1-CD2 3.7Å; V706-D749 HydrophobicContact CG1-CB 4.07Å |
| 707 | P | 93.5 | Very high | 92.1 | Very high | 21 Ų | 21 | 18.5 Ų | 18.5 | 14% | 0.136 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | -178 | -21.4 | 34.8 | 0 | 0 | 0 | 112.6 | R711 Y916 | P707-R711 VanDerWaalsContact O-CG 3.28Å; P707-R711 WeakPolarHBondContact O-CG 3.42Å; P707-R711 PolarHBondContact O-N 3.07Å; P707-R711 VanDerWaalsContact O-N 3.1Å; P707-Y916 HydrophobicContact CB-CD1 3.97Å; P707-Y916 HydrophobicContact CB-CD2 4.11Å; P707-Y916 HydrophobicContact CB-CE1 3.74Å; P707-Y916 HydrophobicContact CB-CE2 3.94Å; P707-Y916 HydrophobicContact CB-CG 4.14Å; P707-Y916 HydrophobicContact CG-CD1 3.97Å; P707-Y916 HydrophobicContact CG-CD2 4.3Å; P707-Y916 HydrophobicContact CG-CE1 4.25Å; P707-Y916 HydrophobicContact CG-CG 3.98Å |
| 708 | A | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.2 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P663 F666 Q667 Y705 V706 R711 L712 Y916 | P663-A708 HydrophobicContact CB-CB 4.28Å; P663-A708 WeakPolarHBondContact O-CB 3.48Å; F666-A708 HydrophobicContact CB-CB 3.78Å; F666-A708 HydrophobicContact CD2-CB 4.25Å; Q667-A708 HydrophobicContact CG-CB 3.99Å; Y705-A708 PolarHBondContact O-N 3.18Å; Y705-A708 VanDerWaalsContact O-N 3.08Å; V706-A708 VanDerWaalsContact C-N 3.31Å; V706-A708 PolarHBondContact O-N 2.86Å; A708-R711 PolarHBondContact O-N 3.1Å; A708-L712 WeakPolarHBondContact O-CB 3.42Å; A708-L712 PolarHBondContact O-N 3.44Å; A708-Y916 HydrophobicContact CB-CD2 4.38Å; A708-Y916 HydrophobicContact CB-CE2 3.93Å |
| 709 | L | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 174.9 | -76.4 | 167.7 | 0 | 0 | 0 | 111.7 | F666 L694 L699 W700 Y705 V706 R711 L712 L713 | F666-L709 HydrophobicContact CD2-CD2 3.7Å; F666-L709 HydrophobicContact CD2-CG 3.78Å; F666-L709 HydrophobicContact CE1-CD2 4.29Å; F666-L709 HydrophobicContact CE2-CD1 4.34Å; F666-L709 HydrophobicContact CE2-CD2 3.38Å; F666-L709 HydrophobicContact CE2-CG 3.67Å; F666-L709 HydrophobicContact CG-CD2 4.28Å; F666-L709 HydrophobicContact CZ-CD2 3.72Å; F666-L709 HydrophobicContact CZ-CG 4.49Å; L694-L709 HydrophobicContact CB-CD2 4.42Å; L694-L709 HydrophobicContact CD2-CD2 4Å; L699-L709 HydrophobicContact CB-CD1 3.94Å; W700-L709 HydrophobicContact CD2-CD1 4.05Å; W700-L709 HydrophobicContact CE3-CD1 4.35Å; W700-L709 HydrophobicContact CG-CD1 4.48Å; W700-L709 HydrophobicContact CH2-CB 3.57Å; W700-L709 HydrophobicContact CH2-CD1 4.44Å; W700-L709 HydrophobicContact CZ2-CB 3.75Å; W700-L709 HydrophobicContact CZ2-CD1 4.11Å; W700-L709 HydrophobicContact CZ2-CG 4.39Å; W700-L709 HydrophobicContact CZ3-CB 4.05Å; Y705-L709 WeakPolarHBondContact O-CG 3.31Å; Y705-L709 PolarHBondContact O-N 3.32Å; V706-L709 PolarHBondContact O-N 2.88Å; L709-R711 VanDerWaalsContact C-N 3.34Å; L709-R711 PolarHBondContact O-N 3.45Å; L709-L712 PolarHBondContact O-N 3.28Å; L709-L712 VanDerWaalsContact O-N 3.17Å; L709-L713 WeakPolarHBondContact O-CG 3.37Å; L709-L713 PolarHBondContact O-N 3.42Å |
| 710 | V | 96.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 175.6 | 169 | 0 | 0 | 0 | 0 | 110.4 | W700 V706 L712 L713 E714 L740 D749 K752 L753 | W700-V710 HydrophobicContact CH2-CG2 3.97Å; W700-V710 HydrophobicContact CZ3-CG2 3.81Å; V706-V710 HydrophobicContact CG1-CG2 4.48Å; V706-V710 WeakPolarHBondContact O-CG2 3.4Å; V706-V710 PolarHBondContact O-N 3.07Å; V710-L712 VanDerWaalsContact C-N 3.26Å; V710-L712 PolarHBondContact O-N 3.41Å; V710-L713 PolarHBondContact O-N 3.47Å; V710-E714 HydrophobicContact CG1-CG 4.24Å; V710-E714 WeakPolarHBondContact O-CB 3.18Å; V710-E714 VanDerWaalsContact O-CG 3.25Å; V710-E714 WeakPolarHBondContact O-CG 3.4Å; V710-E714 PolarHBondContact O-N 3.41Å; V710-L740 HydrophobicContact CG2-CD1 4.05Å; V710-D749 HydrophobicContact CG2-CB 4.03Å; V710-K752 HydrophobicContact CG1-CB 4.4Å; V710-K752 HydrophobicContact CG1-CD 4.19Å; V710-L753 HydrophobicContact CG1-CB 4.26Å |
| 711 | R | 95.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 19.3 Ų | 19.3 | 9% | 0.091 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.4 | -38.5 | 176.4 | -73.4 | 172.5 | 71.7 | 98.8 | 4.9 | 112.5 | S670 P707 A708 L709 A715 F918 S922 E923 | S670-R711 PolarHBondContact OG-O 3.32Å; P707-R711 VanDerWaalsContact O-CG 3.28Å; P707-R711 WeakPolarHBondContact O-CG 3.42Å; P707-R711 PolarHBondContact O-N 3.07Å; P707-R711 VanDerWaalsContact O-N 3.1Å; A708-R711 PolarHBondContact O-N 3.1Å; L709-R711 VanDerWaalsContact C-N 3.34Å; L709-R711 PolarHBondContact O-N 3.45Å; R711-A715 PolarHBondContact O-N 3.41Å; R711-F918 VanDerWaalsContact CZ-CE2 3.44Å; R711-S922 PolarHBondContact NH2-OG 3.14Å; R711-E923 IonicContact CZ-OE1 3.18Å; R711-E923 IonicContact NH1-OE1 3.6Å; R711-E923 PolarHBondContact NH1-OE1 3.25Å; R711-E923 IonicContact NH2-OE1 3.05Å |
| 712 | L | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.9 | -50 | 177.6 | -179.6 | 53.9 | 0 | 0 | 0 | 111.1 | F666 L669 L673 L694 A708 L709 V710 E714 A715 Y716 | F666-L712 HydrophobicContact CB-CD2 4.2Å; F666-L712 HydrophobicContact CD1-CD2 3.79Å; F666-L712 HydrophobicContact CG-CD2 4.23Å; L669-L712 HydrophobicContact CB-CD1 3.84Å; L669-L712 HydrophobicContact CB-CD2 4.35Å; L669-L712 HydrophobicContact CD1-CD2 4.31Å; L673-L712 HydrophobicContact CD1-CD1 3.88Å; L694-L712 HydrophobicContact CD1-CD2 3.6Å; L694-L712 HydrophobicContact CD1-CG 4.04Å; L694-L712 HydrophobicContact CD2-CD2 3.92Å; L694-L712 HydrophobicContact CG-CD2 4.43Å; A708-L712 WeakPolarHBondContact O-CB 3.42Å; A708-L712 PolarHBondContact O-N 3.44Å; L709-L712 PolarHBondContact O-N 3.28Å; L709-L712 VanDerWaalsContact O-N 3.17Å; V710-L712 VanDerWaalsContact C-N 3.26Å; V710-L712 PolarHBondContact O-N 3.41Å; L712-E714 VanDerWaalsContact C-N 3.31Å; L712-E714 PolarHBondContact O-N 3.36Å; L712-A715 WeakPolarHBondContact O-CA 3.49Å; L712-A715 VanDerWaalsContact O-CB 3.3Å; L712-A715 WeakPolarHBondContact O-CB 3.32Å; L712-A715 PolarHBondContact O-N 2.9Å; L712-Y716 HydrophobicContact CD1-CD2 4.21Å; L712-Y716 HydrophobicContact CD1-CE2 3.74Å; L712-Y716 HydrophobicContact CG-CD2 4.25Å; L712-Y716 HydrophobicContact CG-CE2 3.83Å; L712-Y716 VanDerWaalsContact O-CD2 3.3Å; L712-Y716 WeakPolarHBondContact O-CD2 3.23Å; L712-Y716 PolarHBondContact O-N 3.47Å; L712-Y716 VanDerWaalsContact O-N 3.12Å |
| 713 | L | 97.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62 | -36.2 | 177.1 | -68.7 | -176.6 | 0 | 0 | 0 | 112.8 | L694 W700 L709 V710 A715 Y716 L717 I733 I736 L753 | L694-L713 HydrophobicContact CD1-CD2 4.42Å; W700-L713 HydrophobicContact CH2-CD1 3.84Å; W700-L713 HydrophobicContact CZ2-CD1 3.6Å; L709-L713 WeakPolarHBondContact O-CG 3.37Å; L709-L713 PolarHBondContact O-N 3.42Å; V710-L713 PolarHBondContact O-N 3.47Å; L713-A715 VanDerWaalsContact C-N 3.26Å; L713-A715 PolarHBondContact O-N 3.1Å; L713-Y716 WeakPolarHBondContact O-CB 3.5Å; L713-Y716 PolarHBondContact O-N 2.89Å; L713-L717 WeakPolarHBondContact O-CG 3.36Å; L713-L717 PolarHBondContact O-N 3.21Å; L713-I733 HydrophobicContact CD1-CG2 3.94Å; L713-I736 HydrophobicContact CD1-CD1 4.38Å; L713-L753 HydrophobicContact CB-CD1 3.79Å; L713-L753 HydrophobicContact CD1-CD2 4.41Å |
| 714 | E | 96.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58 | -39.9 | 170.5 | -74.7 | -176.4 | 101.1 | 0 | 0 | 111.7 | V710 L712 L717 R718 K752 L753 T756 | V710-E714 HydrophobicContact CG1-CG 4.24Å; V710-E714 WeakPolarHBondContact O-CB 3.18Å; V710-E714 VanDerWaalsContact O-CG 3.25Å; V710-E714 WeakPolarHBondContact O-CG 3.4Å; V710-E714 PolarHBondContact O-N 3.41Å; L712-E714 VanDerWaalsContact C-N 3.31Å; L712-E714 PolarHBondContact O-N 3.36Å; E714-L717 PolarHBondContact O-N 3Å; E714-R718 WeakPolarHBondContact O-CG 3.26Å; E714-R718 PolarHBondContact O-N 3.35Å; E714-R718 IonicContact OE1-CZ 2.67Å; E714-R718 IonicContact OE1-NH2 3.2Å; E714-R718 PolarHBondContact OE1-NH2 3.25Å; E714-K752 WeakPolarHBondContact OE1-CE 3.49Å; E714-K752 WeakPolarHBondContact OE1-CG 3.32Å; E714-K752 IonicContact OE1-NZ 3.81Å; E714-K752 WeakPolarHBondContact OE2-CD 3.4Å; E714-K752 WeakPolarHBondContact OE2-CE 3.5Å; E714-K752 IonicContact OE2-NZ 3.6Å; E714-K752 PolarHBondContact OE2-NZ 2.94Å; E714-L753 HydrophobicContact CG-CD1 4.41Å; E714-T756 HydrophobicContact CB-CG2 4Å; E714-T756 HydrophobicContact CG-CG2 4.05Å; E714-T756 PolarHBondContact OE1-OG1 2.66Å |
| 715 | A | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L673 R711 L712 L713 R718 L719 | L673-A715 HydrophobicContact CB-CB 3.74Å; L673-A715 HydrophobicContact CD1-CB 4.14Å; R711-A715 PolarHBondContact O-N 3.41Å; L712-A715 WeakPolarHBondContact O-CA 3.49Å; L712-A715 VanDerWaalsContact O-CB 3.3Å; L712-A715 WeakPolarHBondContact O-CB 3.32Å; L712-A715 PolarHBondContact O-N 2.9Å; L713-A715 VanDerWaalsContact C-N 3.26Å; L713-A715 PolarHBondContact O-N 3.1Å; A715-R718 PolarHBondContact O-N 2.91Å; A715-L719 WeakPolarHBondContact O-CB 3.26Å; A715-L719 PolarHBondContact O-N 3.27Å |
| 716 | Y | 96.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -49 | 171 | -80.4 | -91.9 | 0 | 0 | 0 | 111.4 | L673 I683 Y687 H691 L694 L712 L713 R718 L719 S720 M729 | L673-Y716 HydrophobicContact CD1-CD2 3.8Å; L673-Y716 HydrophobicContact CD1-CE1 4.43Å; L673-Y716 HydrophobicContact CD1-CE2 3.7Å; L673-Y716 HydrophobicContact CD1-CG 4.2Å; I683-Y716 HydrophobicContact CD1-CD1 4.22Å; I683-Y716 HydrophobicContact CG2-CD1 4.16Å; I683-Y716 HydrophobicContact CG2-CE1 3.97Å; Y687-Y716 WeakPolarHBondContact CA-OH 2.69Å; Y687-Y716 VanDerWaalsContact CB-OH 3.31Å; Y687-Y716 WeakPolarHBondContact CB-OH 3.37Å; Y687-Y716 PolarHBondContact O-OH 3.42Å; H691-Y716 HydrophobicContact CB-CE1 4.31Å; L694-Y716 HydrophobicContact CD1-CE2 3.75Å; L712-Y716 HydrophobicContact CD1-CD2 4.21Å; L712-Y716 HydrophobicContact CD1-CE2 3.74Å; L712-Y716 HydrophobicContact CG-CD2 4.25Å; L712-Y716 HydrophobicContact CG-CE2 3.83Å; L712-Y716 VanDerWaalsContact O-CD2 3.3Å; L712-Y716 WeakPolarHBondContact O-CD2 3.23Å; L712-Y716 PolarHBondContact O-N 3.47Å; L712-Y716 VanDerWaalsContact O-N 3.12Å; L713-Y716 WeakPolarHBondContact O-CB 3.5Å; L713-Y716 PolarHBondContact O-N 2.89Å; Y716-R718 VanDerWaalsContact C-N 3.35Å; Y716-R718 PolarHBondContact O-N 3.47Å; Y716-L719 PolarHBondContact O-N 2.88Å; Y716-S720 WeakPolarHBondContact O-CB 3.3Å; Y716-S720 PolarHBondContact O-N 2.87Å; Y716-S720 PolarHBondContact O-OG 3.15Å; Y716-M729 HydrophobicContact CD1-CE 4.05Å; Y716-M729 HydrophobicContact CD1-SD 4.19Å |
| 717 | L | 95.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 179.1 | -69.8 | 170.9 | 0 | 0 | 0 | 111.6 | L713 E714 S720 M729 I733 L753 T756 A757 V761 | L713-L717 WeakPolarHBondContact O-CG 3.36Å; L713-L717 PolarHBondContact O-N 3.21Å; E714-L717 PolarHBondContact O-N 3Å; L717-S720 WeakPolarHBondContact CA-OG 3.49Å; L717-S720 PolarHBondContact O-N 3.36Å; L717-S720 PolarHBondContact O-OG 3.23Å; L717-M729 HydrophobicContact CD2-CB 4.33Å; L717-I733 HydrophobicContact CD1-CD1 3.79Å; L717-I733 HydrophobicContact CD2-CD1 4.03Å; L717-I733 HydrophobicContact CG-CD1 4.37Å; L717-L753 HydrophobicContact CD1-CD1 3.91Å; L717-T756 HydrophobicContact CB-CG2 4.07Å; L717-T756 HydrophobicContact CD1-CG2 4.1Å; L717-A757 HydrophobicContact CD1-CB 3.93Å; L717-A757 HydrophobicContact CD2-CB 4.45Å; L717-V761 HydrophobicContact CD2-CG2 3.91Å |
| 718 | R | 94.2 | Very high | 91.2 | Very high | 32 Ų | 32 | 37 Ų | 37 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 179.3 | -69.7 | 175.2 | -172.9 | 122.6 | 12.3 | 112.6 | I677 E714 A715 Y716 S720 Y721 T756 W760 | I677-R718 HydrophobicContact CD1-CB 3.59Å; I677-R718 HydrophobicContact CD1-CG 4.4Å; I677-R718 HydrophobicContact CG1-CB 4.41Å; E714-R718 WeakPolarHBondContact O-CG 3.26Å; E714-R718 PolarHBondContact O-N 3.35Å; E714-R718 IonicContact OE1-CZ 2.67Å; E714-R718 IonicContact OE1-NH2 3.2Å; E714-R718 PolarHBondContact OE1-NH2 3.25Å; A715-R718 PolarHBondContact O-N 2.91Å; Y716-R718 VanDerWaalsContact C-N 3.35Å; Y716-R718 PolarHBondContact O-N 3.47Å; R718-S720 VanDerWaalsContact C-N 3.3Å; R718-Y721 VanDerWaalsContact O-CB 3.32Å; R718-Y721 WeakPolarHBondContact O-CB 3.48Å; R718-Y721 PolarHBondContact O-N 3.49Å; R718-T756 HydrophobicContact CG-CG2 4.02Å; R718-T756 PolarHBondContact NH2-OG1 2.8Å; R718-W760 HydrophobicContact CB-CD2 4.08Å; R718-W760 HydrophobicContact CB-CE3 4.09Å; R718-W760 HydrophobicContact CB-CG 4.44Å; R718-W760 HydrophobicContact CB-CZ3 4.44Å; R718-W760 HydrophobicContact CG-CD2 3.67Å; R718-W760 HydrophobicContact CG-CE3 4.18Å; R718-W760 HydrophobicContact CG-CG 3.84Å; R718-W760 HydrophobicContact CG-CZ2 4.19Å |
| 719 | L | 92.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.5 | -25.4 | 179.5 | -164.7 | 59.3 | 0 | 0 | 0 | 112.2 | L673 R676 I677 I683 A715 Y716 Y721 | L673-L719 HydrophobicContact CD2-CD2 3.93Å; R676-L719 HydrophobicContact CB-CD1 3.83Å; R676-L719 HydrophobicContact CB-CD2 4.1Å; I677-L719 HydrophobicContact CG1-CD1 4.35Å; I683-L719 HydrophobicContact CB-CD2 4.38Å; I683-L719 HydrophobicContact CG1-CB 4.05Å; I683-L719 HydrophobicContact CG1-CD2 3.8Å; I683-L719 HydrophobicContact CG1-CG 3.93Å; A715-L719 WeakPolarHBondContact O-CB 3.26Å; A715-L719 PolarHBondContact O-N 3.27Å; Y716-L719 PolarHBondContact O-N 2.88Å; L719-Y721 PolarHBondContact O-N 2.78Å; L719-Y721 VanDerWaalsContact O-N 3.15Å |
| 720 | S | 89.3 | Confident | 91.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 12.5 | 171.4 | 76.2 | 0 | 0 | 0 | 0 | 114.6 | Y716 L717 R718 K722 Q723 G726 | Y716-S720 WeakPolarHBondContact O-CB 3.3Å; Y716-S720 PolarHBondContact O-N 2.87Å; Y716-S720 PolarHBondContact O-OG 3.15Å; L717-S720 WeakPolarHBondContact CA-OG 3.49Å; L717-S720 PolarHBondContact O-N 3.36Å; L717-S720 PolarHBondContact O-OG 3.23Å; R718-S720 VanDerWaalsContact C-N 3.3Å; S720-K722 PolarHBondContact O-N 2.89Å; S720-Q723 PolarHBondContact O-N 3.38Å; S720-G726 WeakPolarHBondContact OG-CA 3.33Å |
| 721 | Y | 86.1 | Confident | 91 | Very high | 90 Ų | 90 | 40 Ų | 40 | 35% | 0.353 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 112.8 | -172.7 | 176.4 | -109.8 | 0 | 0 | 0 | 112.8 | R718 L719 Q723 W760 P929 | R718-Y721 VanDerWaalsContact O-CB 3.32Å; R718-Y721 WeakPolarHBondContact O-CB 3.48Å; R718-Y721 PolarHBondContact O-N 3.49Å; L719-Y721 PolarHBondContact O-N 2.78Å; L719-Y721 VanDerWaalsContact O-N 3.15Å; Y721-Q723 PolarHBondContact O-N 3.02Å; Y721-Q723 VanDerWaalsContact O-N 3.08Å; Y721-W760 AromaticContact CD2-CE3 3.79Å; Y721-W760 HydrophobicContact CD2-CE3 3.79Å; Y721-W760 HydrophobicContact CD2-CZ3 4.38Å; Y721-W760 WeakPolarHBondContact CD2-O 3.35Å; Y721-W760 HydrophobicContact CG-CE3 4.25Å; Y721-P929 HydrophobicContact CD2-CG 4.26Å; Y721-P929 HydrophobicContact CE2-CB 3.96Å; Y721-P929 HydrophobicContact CE2-CG 3.69Å |
| 722 | K | 72.9 | Confident | 91 | Very high | 133 Ų | 133 | 40.4 Ų | 40.4 | 58% | 0.578 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 22.3 | -179.9 | -62.3 | 179.9 | 175 | 167.6 | 0 | 115.5 | S720 A762 | S720-K722 PolarHBondContact O-N 2.89Å; K722-A762 HydrophobicContact CB-CB 4.5Å; K722-A762 HydrophobicContact CG-CB 4.32Å |
| 723 | Q | 82.4 | Confident | 90.9 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 39% | 0.393 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -95.3 | 156.2 | 172.4 | -63.8 | 178.4 | 5.1 | 0 | 0 | 110.5 | S720 Y721 I725 G726 | S720-Q723 PolarHBondContact O-N 3.38Å; Y721-Q723 PolarHBondContact O-N 3.02Å; Y721-Q723 VanDerWaalsContact O-N 3.08Å; Q723-I725 HydrophobicContact CB-CG2 4.09Å; Q723-I725 PolarHBondContact O-N 3.44Å; Q723-G726 PolarHBondContact O-N 3.35Å |
| 724 | E | 80.8 | Confident | 90.8 | Very high | 178 Ų | 178 | 41.3 Ų | 41.3 | 83% | 0.832 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -37.1 | 179.6 | -67.7 | -176.5 | 166.8 | 0 | 0 | 112.3 | G726 A727 | E724-G726 PolarHBondContact O-N 2.92Å; E724-G726 VanDerWaalsContact O-N 3.08Å; E724-A727 WeakPolarHBondContact O-CB 3.23Å; E724-A727 PolarHBondContact O-N 3.31Å |
| 725 | I | 87.4 | Confident | 90.7 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -25.6 | 177.2 | -157.9 | 165.2 | 0 | 0 | 0 | 113 | I683 L688 Q723 A727 E728 M729 | I683-I725 HydrophobicContact CD1-CG2 4.36Å; L688-I725 HydrophobicContact CD1-CD1 4.19Å; L688-I725 HydrophobicContact CD2-CD1 3.5Å; Q723-I725 HydrophobicContact CB-CG2 4.09Å; Q723-I725 PolarHBondContact O-N 3.44Å; I725-A727 PolarHBondContact O-N 3.21Å; I725-E728 PolarHBondContact O-N 2.99Å; I725-M729 HydrophobicContact CD1-CE 4.08Å; I725-M729 HydrophobicContact CG1-CE 4.04Å; I725-M729 HydrophobicContact CG1-CG 4.39Å; I725-M729 WeakPolarHBondContact O-CG 3.38Å; I725-M729 PolarHBondContact O-N 3.5Å |
| 726 | G | 86.2 | Confident | 90.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -26.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S720 Q723 E724 L730 | S720-G726 WeakPolarHBondContact OG-CA 3.33Å; Q723-G726 PolarHBondContact O-N 3.35Å; E724-G726 PolarHBondContact O-N 2.92Å; E724-G726 VanDerWaalsContact O-N 3.08Å; G726-L730 VanDerWaalsContact O-CB 3.3Å; G726-L730 WeakPolarHBondContact O-CB 3.22Å; G726-L730 PolarHBondContact O-N 3.04Å |
| 727 | A | 89.5 | Confident | 90.7 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 26% | 0.256 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.6 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E724 I725 S731 | E724-A727 WeakPolarHBondContact O-CB 3.23Å; E724-A727 PolarHBondContact O-N 3.31Å; I725-A727 PolarHBondContact O-N 3.21Å; A727-S731 WeakPolarHBondContact O-CB 3.35Å; A727-S731 PolarHBondContact O-N 2.98Å; A727-S731 PolarHBondContact O-OG 3.01Å |
| 728 | E | 91.8 | Very high | 90.7 | Very high | 143 Ų | 143 | 49.9 Ų | 49.9 | 67% | 0.668 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -66.4 | -45.2 | 176.8 | -63.3 | -177.7 | 171.7 | 0 | 0 | 110.6 | I725 L730 S731 S732 | I725-E728 PolarHBondContact O-N 2.99Å; E728-L730 PolarHBondContact O-N 3.01Å; E728-S731 PolarHBondContact O-N 3Å; E728-S732 WeakPolarHBondContact O-CB 3.4Å; E728-S732 PolarHBondContact O-N 2.98Å |
| 729 | M | 93.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.3 | -51.4 | 175.7 | -66.8 | -70.2 | 169.7 | 0 | 0 | 111 | I683 L688 H691 Y716 L717 I725 S731 S732 I733 | I683-M729 HydrophobicContact CD1-CE 4.36Å; L688-M729 HydrophobicContact CD2-CE 3.62Å; H691-M729 VanDerWaalsContact CD2-SD 3.51Å; H691-M729 PolarHBondContact NE2-SD 3.41Å; Y716-M729 HydrophobicContact CD1-CE 4.05Å; Y716-M729 HydrophobicContact CD1-SD 4.19Å; L717-M729 HydrophobicContact CD2-CB 4.33Å; I725-M729 HydrophobicContact CD1-CE 4.08Å; I725-M729 HydrophobicContact CG1-CE 4.04Å; I725-M729 HydrophobicContact CG1-CG 4.39Å; I725-M729 WeakPolarHBondContact O-CG 3.38Å; I725-M729 PolarHBondContact O-N 3.5Å; M729-S731 PolarHBondContact O-N 3.49Å; M729-S732 PolarHBondContact O-N 3.34Å; M729-S732 PolarHBondContact O-OG 3.41Å; M729-I733 PolarHBondContact O-N 2.89Å |
| 730 | L | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 177 | 177.5 | 55.4 | 0 | 0 | 0 | 111.9 | G726 E728 S732 I733 I734 I754 A757 V761 F766 | G726-L730 VanDerWaalsContact O-CB 3.3Å; G726-L730 WeakPolarHBondContact O-CB 3.22Å; G726-L730 PolarHBondContact O-N 3.04Å; E728-L730 PolarHBondContact O-N 3.01Å; L730-S732 PolarHBondContact O-N 2.91Å; L730-I733 HydrophobicContact CD1-CD1 4.02Å; L730-I733 HydrophobicContact CD1-CG1 4.13Å; L730-I733 WeakPolarHBondContact O-CG1 3.29Å; L730-I733 PolarHBondContact O-N 3.22Å; L730-I734 HydrophobicContact CD1-CD1 3.96Å; L730-I734 WeakPolarHBondContact O-CG1 3.32Å; L730-I734 PolarHBondContact O-N 3.26Å; L730-I754 HydrophobicContact CD1-CD1 4.46Å; L730-A757 HydrophobicContact CD1-CB 3.82Å; L730-V761 HydrophobicContact CB-CG2 4.47Å; L730-V761 HydrophobicContact CD2-CG1 4.08Å; L730-F766 HydrophobicContact CD2-CB 4.22Å; L730-F766 HydrophobicContact CD2-CD2 3.74Å; L730-F766 HydrophobicContact CD2-CG 4.29Å |
| 731 | S | 95.3 | Very high | 90.8 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.7 | -36.7 | -178.5 | -57.1 | 0 | 0 | 0 | 0 | 112 | A727 E728 M729 H769 | A727-S731 WeakPolarHBondContact O-CB 3.35Å; A727-S731 PolarHBondContact O-N 2.98Å; A727-S731 PolarHBondContact O-OG 3.01Å; E728-S731 PolarHBondContact O-N 3Å; M729-S731 PolarHBondContact O-N 3.49Å; S731-H769 PolarHBondContact OG-NE2 2.97Å |
| 732 | S | 95.1 | Very high | 91 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 22% | 0.217 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.6 | -26.5 | -179.7 | 78.5 | 0 | 0 | 0 | 0 | 114.4 | H691 E728 M729 L730 | H691-S732 PolarHBondContact CE1-OG 3.3Å; H691-S732 PolarHBondContact NE2-OG 3.14Å; E728-S732 WeakPolarHBondContact O-CB 3.4Å; E728-S732 PolarHBondContact O-N 2.98Å; M729-S732 PolarHBondContact O-N 3.34Å; M729-S732 PolarHBondContact O-OG 3.41Å; L730-S732 PolarHBondContact O-N 2.91Å |
| 733 | I | 95.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -91.9 | -15.1 | -177.5 | 63.3 | 165.6 | 0 | 0 | 0 | 113.8 | L713 L717 M729 L730 I736 F737 L753 A757 | L713-I733 HydrophobicContact CD1-CG2 3.94Å; L717-I733 HydrophobicContact CD1-CD1 3.79Å; L717-I733 HydrophobicContact CD2-CD1 4.03Å; L717-I733 HydrophobicContact CG-CD1 4.37Å; M729-I733 PolarHBondContact O-N 2.89Å; L730-I733 HydrophobicContact CD1-CD1 4.02Å; L730-I733 HydrophobicContact CD1-CG1 4.13Å; L730-I733 WeakPolarHBondContact O-CG1 3.29Å; L730-I733 PolarHBondContact O-N 3.22Å; I733-I736 WeakPolarHBondContact O-CB 3.45Å; I733-I736 PolarHBondContact O-N 2.99Å; I733-I736 VanDerWaalsContact O-N 3.1Å; I733-F737 PolarHBondContact O-N 2.97Å; I733-L753 HydrophobicContact CB-CD2 4.17Å; I733-L753 HydrophobicContact CD1-CD1 4.11Å; I733-L753 HydrophobicContact CD1-CD2 4.27Å; I733-L753 HydrophobicContact CD1-CG 3.96Å; I733-A757 HydrophobicContact CD1-CB 4.38Å |
| 734 | I | 95.9 | Very high | 91.8 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.1 | -44.8 | 179.5 | -65.3 | -57.2 | 0 | 0 | 0 | 112.6 | L730 I736 F737 H738 I754 H769 T772 I773 | L730-I734 HydrophobicContact CD1-CD1 3.96Å; L730-I734 WeakPolarHBondContact O-CG1 3.32Å; L730-I734 PolarHBondContact O-N 3.26Å; I734-I736 VanDerWaalsContact C-N 3.31Å; I734-I736 PolarHBondContact O-N 3.32Å; I734-F737 PolarHBondContact O-N 3.04Å; I734-H738 WeakPolarHBondContact O-CB 3.17Å; I734-H738 PolarHBondContact O-N 3.47Å; I734-I754 HydrophobicContact CD1-CD1 4.33Å; I734-H769 HydrophobicContact CD1-CB 4.26Å; I734-T772 HydrophobicContact CG2-CG2 4.4Å; I734-I773 HydrophobicContact CD1-CD1 4.07Å; I734-I773 HydrophobicContact CD1-CG1 3.9Å |
| 735 | P | 94.6 | Very high | 91.8 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.3 | -37.1 | 177.4 | -23.6 | 35.4 | 0 | 0 | 0 | 113.4 | R739 | P735-R739 PolarHBondContact O-N 3.21Å; P735-R739 VanDerWaalsContact O-N 3.11Å |
| 736 | I | 95 | Very high | 91.9 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.8 | -48.1 | 177.6 | -64.7 | 166.7 | 0 | 0 | 0 | 109.8 | L695 W700 L713 I733 I734 H738 R739 L740 L753 | L695-I736 HydrophobicContact CB-CD1 4.37Å; L695-I736 HydrophobicContact CD2-CD1 3.42Å; L695-I736 VanDerWaalsContact CD2-CD1 3.42Å; L695-I736 HydrophobicContact CG-CD1 4.49Å; W700-I736 HydrophobicContact CD2-CG2 3.82Å; W700-I736 HydrophobicContact CE3-CG2 3.77Å; W700-I736 HydrophobicContact CH2-CG2 3.62Å; W700-I736 HydrophobicContact CZ2-CD1 3.84Å; W700-I736 HydrophobicContact CZ2-CG2 3.68Å; W700-I736 HydrophobicContact CZ3-CG2 3.67Å; L713-I736 HydrophobicContact CD1-CD1 4.38Å; I733-I736 WeakPolarHBondContact O-CB 3.45Å; I733-I736 PolarHBondContact O-N 2.99Å; I733-I736 VanDerWaalsContact O-N 3.1Å; I734-I736 VanDerWaalsContact C-N 3.31Å; I734-I736 PolarHBondContact O-N 3.32Å; I736-H738 VanDerWaalsContact C-N 3.3Å; I736-H738 PolarHBondContact O-N 3.47Å; I736-R739 WeakPolarHBondContact O-CB 3.42Å; I736-R739 PolarHBondContact O-N 3.45Å; I736-R739 VanDerWaalsContact O-N 3.13Å; I736-L740 HydrophobicContact CG2-CD1 3.77Å; I736-L740 HydrophobicContact CG2-CG 4.15Å; I736-L740 WeakPolarHBondContact O-CG 3.47Å; I736-L740 PolarHBondContact O-N 3.19Å; I736-L753 HydrophobicContact CG2-CD2 4.47Å |
| 737 | F | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52 | -48.9 | 173.6 | 157.7 | -104.1 | 0 | 0 | 0 | 111.6 | I733 I734 R739 L740 V741 G750 I754 I773 I776 L777 | I733-F737 PolarHBondContact O-N 2.97Å; I734-F737 PolarHBondContact O-N 3.04Å; F737-R739 VanDerWaalsContact C-N 3.32Å; F737-R739 PolarHBondContact O-N 2.88Å; F737-L740 PolarHBondContact O-N 3.09Å; F737-V741 HydrophobicContact CD2-CG2 3.71Å; F737-V741 HydrophobicContact CE2-CB 4.45Å; F737-V741 HydrophobicContact CE2-CG2 3.34Å; F737-V741 HydrophobicContact CZ-CG2 3.99Å; F737-V741 WeakPolarHBondContact O-CB 3.37Å; F737-V741 WeakPolarHBondContact O-CG2 3.24Å; F737-V741 PolarHBondContact O-N 2.89Å; F737-G750 WeakPolarHBondContact CD2-O 3.23Å; F737-I754 HydrophobicContact CD2-CB 3.72Å; F737-I754 HydrophobicContact CD2-CD1 4.5Å; F737-I754 HydrophobicContact CD2-CG1 4.29Å; F737-I754 HydrophobicContact CD2-CG2 4.02Å; F737-I754 HydrophobicContact CE2-CB 3.7Å; F737-I754 HydrophobicContact CE2-CG1 4.11Å; F737-I754 HydrophobicContact CE2-CG2 3.56Å; F737-I754 HydrophobicContact CG-CB 4.45Å; F737-I754 HydrophobicContact CG-CD1 4.45Å; F737-I754 HydrophobicContact CZ-CB 4.45Å; F737-I754 HydrophobicContact CZ-CG1 4.38Å; F737-I754 HydrophobicContact CZ-CG2 4.35Å; F737-I773 HydrophobicContact CE1-CB 4.46Å; F737-I773 HydrophobicContact CE1-CG1 4.38Å; F737-I773 HydrophobicContact CE1-CG2 4.18Å; F737-I773 HydrophobicContact CZ-CG2 4.04Å; F737-I776 HydrophobicContact CD1-CD1 4.13Å; F737-I776 HydrophobicContact CE1-CB 4.06Å; F737-I776 HydrophobicContact CE1-CD1 3.82Å; F737-I776 HydrophobicContact CE1-CG2 3.73Å; F737-I776 HydrophobicContact CZ-CG2 4.04Å; F737-L777 HydrophobicContact CE2-CD2 4.25Å; F737-L777 HydrophobicContact CZ-CD2 3.89Å; F737-L777 HydrophobicContact CZ-CG 4.1Å |
| 738 | H | 95 | Very high | 92.4 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 41% | 0.407 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 178 | 179.9 | -122.5 | 0 | 0 | 0 | 111.9 | I734 I736 N742 I776 | I734-H738 WeakPolarHBondContact O-CB 3.17Å; I734-H738 PolarHBondContact O-N 3.47Å; I736-H738 VanDerWaalsContact C-N 3.3Å; I736-H738 PolarHBondContact O-N 3.47Å; H738-N742 PolarHBondContact CD2-ND2 2.78Å; H738-N742 VanDerWaalsContact CD2-ND2 3.28Å; H738-N742 PolarHBondContact NE2-ND2 2.96Å; H738-N742 WeakPolarHBondContact O-CB 3.32Å; H738-N742 PolarHBondContact O-N 2.82Å; H738-N742 PolarHBondContact O-ND2 3.3Å; H738-N742 VanDerWaalsContact O-ND2 3.09Å; H738-I776 HydrophobicContact CB-CD1 3.94Å |
| 739 | R | 91.9 | Very high | 92.5 | Very high | 91 Ų | 91 | 37.9 Ų | 37.9 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -48.8 | 178.7 | -171.8 | -175.4 | -65.6 | -166.5 | -5.9 | 111.8 | L74 P735 I736 F737 N742 S743 | L74-R739 HydrophobicContact CD2-CG 3.63Å; P735-R739 PolarHBondContact O-N 3.21Å; P735-R739 VanDerWaalsContact O-N 3.11Å; I736-R739 WeakPolarHBondContact O-CB 3.42Å; I736-R739 PolarHBondContact O-N 3.45Å; I736-R739 VanDerWaalsContact O-N 3.13Å; F737-R739 VanDerWaalsContact C-N 3.32Å; F737-R739 PolarHBondContact O-N 2.88Å; R739-N742 PolarHBondContact O-N 3.47Å; R739-S743 PolarHBondContact O-N 3.21Å |
| 740 | L | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | -177.9 | -67.8 | 175 | 0 | 0 | 0 | 112.3 | W700 V706 V710 I736 F737 N742 S743 R746 D747 D749 | W700-L740 HydrophobicContact CE3-CD1 4.24Å; W700-L740 HydrophobicContact CE3-CD2 4.04Å; W700-L740 HydrophobicContact CE3-CG 4.45Å; W700-L740 HydrophobicContact CZ3-CD1 3.74Å; W700-L740 HydrophobicContact CZ3-CD2 4.25Å; W700-L740 HydrophobicContact CZ3-CG 4.43Å; V706-L740 HydrophobicContact CG1-CD2 3.7Å; V710-L740 HydrophobicContact CG2-CD1 4.05Å; I736-L740 HydrophobicContact CG2-CD1 3.77Å; I736-L740 HydrophobicContact CG2-CG 4.15Å; I736-L740 WeakPolarHBondContact O-CG 3.47Å; I736-L740 PolarHBondContact O-N 3.19Å; F737-L740 PolarHBondContact O-N 3.09Å; L740-N742 VanDerWaalsContact C-N 3.26Å; L740-N742 PolarHBondContact O-N 2.87Å; L740-S743 PolarHBondContact O-N 3.01Å; L740-S743 VanDerWaalsContact O-N 3.16Å; L740-R746 HydrophobicContact CD2-CB 3.9Å; L740-R746 HydrophobicContact CD2-CG 4.44Å; L740-R746 CarbonylContact O-C 3.49Å; L740-R746 VanDerWaalsContact O-C 3.31Å; L740-D747 PolarHBondContact O-N 3.41Å; L740-D749 HydrophobicContact CD1-CB 4.39Å |
| 741 | V | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -35.4 | 178.3 | 166.1 | 0 | 0 | 0 | 0 | 111.9 | F737 S743 M751 I776 L777 K780 F789 | F737-V741 HydrophobicContact CD2-CG2 3.71Å; F737-V741 HydrophobicContact CE2-CB 4.45Å; F737-V741 HydrophobicContact CE2-CG2 3.34Å; F737-V741 HydrophobicContact CZ-CG2 3.99Å; F737-V741 WeakPolarHBondContact O-CB 3.37Å; F737-V741 WeakPolarHBondContact O-CG2 3.24Å; F737-V741 PolarHBondContact O-N 2.89Å; V741-S743 VanDerWaalsContact C-N 3.28Å; V741-S743 PolarHBondContact O-N 2.65Å; V741-M751 HydrophobicContact CG2-SD 4.38Å; V741-I776 HydrophobicContact CG1-CG2 4.33Å; V741-L777 HydrophobicContact CG1-CD2 4.18Å; V741-L777 HydrophobicContact CG2-CD2 4.42Å; V741-K780 HydrophobicContact CG1-CB 4.04Å; V741-K780 HydrophobicContact CG1-CD 4.48Å; V741-K780 HydrophobicContact CG1-CG 3.93Å; V741-K780 WeakPolarHBondContact O-CD 3.47Å; V741-K780 WeakPolarHBondContact O-CE 3.37Å; V741-K780 PolarHBondContact O-NZ 2.99Å; V741-F789 HydrophobicContact CG1-CE2 3.87Å; V741-F789 HydrophobicContact CG1-CZ 3.59Å |
| 742 | N | 90.5 | Very high | 92.7 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 25% | 0.246 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.9 | -17.1 | 178.9 | -75.5 | -34.9 | 0 | 0 | 0 | 113.8 | H738 R739 L740 K780 | H738-N742 PolarHBondContact CD2-ND2 2.78Å; H738-N742 VanDerWaalsContact CD2-ND2 3.28Å; H738-N742 PolarHBondContact NE2-ND2 2.96Å; H738-N742 WeakPolarHBondContact O-CB 3.32Å; H738-N742 PolarHBondContact O-N 2.82Å; H738-N742 PolarHBondContact O-ND2 3.3Å; H738-N742 VanDerWaalsContact O-ND2 3.09Å; R739-N742 PolarHBondContact O-N 3.47Å; L740-N742 VanDerWaalsContact C-N 3.26Å; L740-N742 PolarHBondContact O-N 2.87Å; N742-K780 PolarHBondContact O-NZ 2.97Å |
| 743 | S | 87.2 | Confident | 92.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -81.3 | 131.3 | 169.1 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | L74 R739 L740 V741 A745 R746 D747 | L74-S743 WeakPolarHBondContact CD1-OG 3.14Å; R739-S743 PolarHBondContact O-N 3.21Å; L740-S743 PolarHBondContact O-N 3.01Å; L740-S743 VanDerWaalsContact O-N 3.16Å; V741-S743 VanDerWaalsContact C-N 3.28Å; V741-S743 PolarHBondContact O-N 2.65Å; S743-A745 PolarHBondContact O-N 3.48Å; S743-A745 PolarHBondContact OG-N 3.24Å; S743-R746 PolarHBondContact O-N 3.36Å; S743-R746 PolarHBondContact OG-N 2.85Å; S743-D747 WeakPolarHBondContact O-CB 3.42Å; S743-D747 PolarHBondContact O-N 2.94Å; S743-D747 VanDerWaalsContact O-N 3.1Å |
| 744 | R | 83.1 | Confident | 92.8 | Very high | 157 Ų | 157 | 37.1 Ų | 37.1 | 59% | 0.592 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.8 | 173.6 | -69.8 | -177.2 | 178.2 | 173.4 | 2.9 | 112.6 | M784 | R744-M784 HydrophobicContact CG-CE 3.76Š|
| 745 | A | 82.5 | Confident | 92.8 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 50% | 0.496 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -29.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S743 | S743-A745 PolarHBondContact O-N 3.48Å; S743-A745 PolarHBondContact OG-N 3.24Å |
| 746 | R | 88.4 | Confident | 92.8 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 8.1 | -168.4 | -54 | -59.2 | -178.3 | 169.3 | -0.2 | 115.1 | L74 H703 L740 S743 Q748 D749 G750 | L74-R746 HydrophobicContact CD1-CG 3.78Å; H703-R746 VanDerWaalsContact C-NH2 3.29Å; H703-R746 PolarHBondContact ND1-NH2 2.92Å; H703-R746 VanDerWaalsContact ND1-NH2 3.18Å; H703-R746 PolarHBondContact O-NH2 2.96Å; L740-R746 HydrophobicContact CD2-CB 3.9Å; L740-R746 HydrophobicContact CD2-CG 4.44Å; L740-R746 CarbonylContact O-C 3.49Å; L740-R746 VanDerWaalsContact O-C 3.31Å; S743-R746 PolarHBondContact O-N 3.36Å; S743-R746 PolarHBondContact OG-N 2.85Å; R746-Q748 PolarHBondContact O-N 2.82Å; R746-D749 VanDerWaalsContact CD-OD2 3.26Å; R746-D749 WeakPolarHBondContact CD-OD2 3.47Å; R746-D749 IonicContact NH1-OD2 3.63Å; R746-D749 WeakPolarHBondContact O-CB 3.37Å; R746-D749 PolarHBondContact O-N 3.31Å; R746-G750 PolarHBondContact O-N 3.14Å; R746-G750 VanDerWaalsContact O-N 3.16Å |
| 747 | D | 92.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.7 | -38.4 | -179.8 | 59.9 | 1.6 | 0 | 0 | 0 | 113 | L740 S743 D749 G750 M751 K788 F789 | L740-D747 PolarHBondContact O-N 3.41Å; S743-D747 WeakPolarHBondContact O-CB 3.42Å; S743-D747 PolarHBondContact O-N 2.94Å; S743-D747 VanDerWaalsContact O-N 3.1Å; D747-D749 PolarHBondContact O-N 3.19Å; D747-G750 PolarHBondContact O-N 3.2Å; D747-M751 WeakPolarHBondContact O-CB 3.28Å; D747-M751 WeakPolarHBondContact O-CG 3.43Å; D747-M751 PolarHBondContact O-N 2.94Å; D747-K788 IonicContact OD1-NZ 3.83Å; D747-K788 PolarHBondContact OD1-NZ 2.73Å; D747-F789 HydrophobicContact CB-CD2 3.67Å; D747-F789 HydrophobicContact CB-CE2 4.05Å |
| 748 | Q | 93.4 | Very high | 92.8 | Very high | 77 Ų | 77 | 33.2 Ų | 33.2 | 36% | 0.36 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62 | -39.1 | 174.7 | -179 | 177.4 | -29 | 0 | 0 | 113.2 | R746 M751 K752 L792 | R746-Q748 PolarHBondContact O-N 2.82Å; Q748-M751 PolarHBondContact O-N 2.85Å; Q748-K752 WeakPolarHBondContact O-CB 3.24Å; Q748-K752 PolarHBondContact O-N 3Å; Q748-L792 HydrophobicContact CB-CD1 4Å; Q748-L792 HydrophobicContact CG-CD2 4.49Å |
| 749 | D | 94.3 | Very high | 92.7 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 12% | 0.123 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 179.9 | -64.3 | -49.8 | 0 | 0 | 0 | 110.3 | V706 V710 L740 R746 D747 K752 L753 | V706-D749 HydrophobicContact CG1-CB 4.07Å; V710-D749 HydrophobicContact CG2-CB 4.03Å; L740-D749 HydrophobicContact CD1-CB 4.39Å; R746-D749 VanDerWaalsContact CD-OD2 3.26Å; R746-D749 WeakPolarHBondContact CD-OD2 3.47Å; R746-D749 IonicContact NH1-OD2 3.63Å; R746-D749 WeakPolarHBondContact O-CB 3.37Å; R746-D749 PolarHBondContact O-N 3.31Å; D747-D749 PolarHBondContact O-N 3.19Å; D749-K752 PolarHBondContact O-N 2.85Å; D749-L753 PolarHBondContact O-N 3.24Å; D749-L753 VanDerWaalsContact O-N 3.11Å |
| 750 | G | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F737 R746 D747 K752 L753 I754 | F737-G750 WeakPolarHBondContact CD2-O 3.23Å; R746-G750 PolarHBondContact O-N 3.14Å; R746-G750 VanDerWaalsContact O-N 3.16Å; D747-G750 PolarHBondContact O-N 3.2Å; G750-K752 PolarHBondContact O-N 3.27Å; G750-L753 PolarHBondContact O-N 3.5Å; G750-I754 PolarHBondContact O-N 3.13Å; G750-I754 VanDerWaalsContact O-N 3.16Å |
| 751 | M | 97 | Very high | 92.7 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.02 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.5 | -71.2 | -57.4 | -57.4 | 0 | 0 | 112.1 | V741 D747 Q748 L753 I754 S755 L777 F789 L792 F796 | V741-M751 HydrophobicContact CG2-SD 4.38Å; D747-M751 WeakPolarHBondContact O-CB 3.28Å; D747-M751 WeakPolarHBondContact O-CG 3.43Å; D747-M751 PolarHBondContact O-N 2.94Å; Q748-M751 PolarHBondContact O-N 2.85Å; M751-L753 VanDerWaalsContact C-N 3.34Å; M751-L753 PolarHBondContact O-N 2.81Å; M751-I754 WeakPolarHBondContact O-CG2 3.32Å; M751-I754 PolarHBondContact O-N 3.09Å; M751-S755 VanDerWaalsContact O-CB 3.3Å; M751-S755 WeakPolarHBondContact O-CB 3.38Å; M751-S755 PolarHBondContact O-N 2.79Å; M751-S755 PolarHBondContact O-OG 2.73Å; M751-L777 HydrophobicContact CE-CD2 4.41Å; M751-L777 HydrophobicContact SD-CD2 3.49Å; M751-L777 WeakPolarHBondContact SD-CD2 3.13Å; M751-F789 HydrophobicContact CG-CD2 4.46Å; M751-F789 HydrophobicContact CG-CE2 3.85Å; M751-F789 HydrophobicContact SD-CE2 3.87Å; M751-F789 HydrophobicContact SD-CZ 4.21Å; M751-L792 HydrophobicContact CB-CB 4.49Å; M751-L792 HydrophobicContact CG-CB 4.05Å; M751-L792 HydrophobicContact CG-CD1 4.27Å; M751-F796 HydrophobicContact CE-CB 3.26Å; M751-F796 HydrophobicContact CE-CD1 3.85Å; M751-F796 HydrophobicContact CE-CD2 4.39Å; M751-F796 HydrophobicContact CE-CG 3.59Å |
| 752 | K | 95.3 | Very high | 92.6 | Very high | 78 Ų | 78 | 26.9 Ų | 26.9 | 34% | 0.339 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 178 | -164.1 | -168.4 | -175.4 | -154.5 | 0 | 111.8 | V710 E714 Q748 D749 G750 S755 T756 | V710-K752 HydrophobicContact CG1-CB 4.4Å; V710-K752 HydrophobicContact CG1-CD 4.19Å; E714-K752 WeakPolarHBondContact OE1-CE 3.49Å; E714-K752 WeakPolarHBondContact OE1-CG 3.32Å; E714-K752 IonicContact OE1-NZ 3.81Å; E714-K752 WeakPolarHBondContact OE2-CD 3.4Å; E714-K752 WeakPolarHBondContact OE2-CE 3.5Å; E714-K752 IonicContact OE2-NZ 3.6Å; E714-K752 PolarHBondContact OE2-NZ 2.94Å; Q748-K752 WeakPolarHBondContact O-CB 3.24Å; Q748-K752 PolarHBondContact O-N 3Å; D749-K752 PolarHBondContact O-N 2.85Å; G750-K752 PolarHBondContact O-N 3.27Å; K752-S755 PolarHBondContact O-N 2.83Å; K752-T756 PolarHBondContact O-N 2.6Å; K752-T756 PolarHBondContact O-OG1 3.37Å |
| 753 | L | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 179.3 | -174.9 | 60.3 | 0 | 0 | 0 | 111.7 | V710 L713 E714 L717 I733 I736 D749 G750 M751 T756 A757 | V710-L753 HydrophobicContact CG1-CB 4.26Å; L713-L753 HydrophobicContact CB-CD1 3.79Å; L713-L753 HydrophobicContact CD1-CD2 4.41Å; E714-L753 HydrophobicContact CG-CD1 4.41Å; L717-L753 HydrophobicContact CD1-CD1 3.91Å; I733-L753 HydrophobicContact CB-CD2 4.17Å; I733-L753 HydrophobicContact CD1-CD1 4.11Å; I733-L753 HydrophobicContact CD1-CD2 4.27Å; I733-L753 HydrophobicContact CD1-CG 3.96Å; I736-L753 HydrophobicContact CG2-CD2 4.47Å; D749-L753 PolarHBondContact O-N 3.24Å; D749-L753 VanDerWaalsContact O-N 3.11Å; G750-L753 PolarHBondContact O-N 3.5Å; M751-L753 VanDerWaalsContact C-N 3.34Å; M751-L753 PolarHBondContact O-N 2.81Å; L753-T756 PolarHBondContact O-N 3.47Å; L753-A757 PolarHBondContact O-N 2.85Å |
| 754 | I | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.7 | -32.7 | -179 | -158.1 | 68.5 | 0 | 0 | 0 | 113 | L730 I734 F737 G750 M751 T756 A757 A758 F766 I773 F796 | L730-I754 HydrophobicContact CD1-CD1 4.46Å; I734-I754 HydrophobicContact CD1-CD1 4.33Å; F737-I754 HydrophobicContact CD2-CB 3.72Å; F737-I754 HydrophobicContact CD2-CD1 4.5Å; F737-I754 HydrophobicContact CD2-CG1 4.29Å; F737-I754 HydrophobicContact CD2-CG2 4.02Å; F737-I754 HydrophobicContact CE2-CB 3.7Å; F737-I754 HydrophobicContact CE2-CG1 4.11Å; F737-I754 HydrophobicContact CE2-CG2 3.56Å; F737-I754 HydrophobicContact CG-CB 4.45Å; F737-I754 HydrophobicContact CG-CD1 4.45Å; F737-I754 HydrophobicContact CZ-CB 4.45Å; F737-I754 HydrophobicContact CZ-CG1 4.38Å; F737-I754 HydrophobicContact CZ-CG2 4.35Å; G750-I754 PolarHBondContact O-N 3.13Å; G750-I754 VanDerWaalsContact O-N 3.16Å; M751-I754 WeakPolarHBondContact O-CG2 3.32Å; M751-I754 PolarHBondContact O-N 3.09Å; I754-T756 VanDerWaalsContact C-N 3.32Å; I754-T756 PolarHBondContact O-N 3.24Å; I754-A757 HydrophobicContact CD1-CB 4.25Å; I754-A757 PolarHBondContact O-N 3.22Å; I754-A758 WeakPolarHBondContact O-CB 3.45Å; I754-A758 PolarHBondContact O-N 3.48Å; I754-F766 HydrophobicContact CD1-CE2 4.44Å; I754-I773 HydrophobicContact CD1-CD1 3.68Å; I754-I773 HydrophobicContact CD1-CG1 3.91Å; I754-I773 HydrophobicContact CD1-CG2 4.28Å; I754-I773 HydrophobicContact CG1-CD1 4.3Å; I754-I773 HydrophobicContact CG1-CG1 4.4Å; I754-I773 HydrophobicContact CG1-CG2 3.83Å; I754-F796 HydrophobicContact CG1-CE2 4.39Å; I754-F796 HydrophobicContact CG1-CZ 4.05Å; I754-F796 HydrophobicContact CG2-CD2 4.24Å; I754-F796 HydrophobicContact CG2-CE1 4.41Å; I754-F796 HydrophobicContact CG2-CE2 3.83Å; I754-F796 HydrophobicContact CG2-CZ 3.92Å |
| 755 | S | 95.8 | Very high | 93.5 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 171.2 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | M751 K752 E759 F796 Q799 | M751-S755 VanDerWaalsContact O-CB 3.3Å; M751-S755 WeakPolarHBondContact O-CB 3.38Å; M751-S755 PolarHBondContact O-N 2.79Å; M751-S755 PolarHBondContact O-OG 2.73Å; K752-S755 PolarHBondContact O-N 2.83Å; S755-E759 PolarHBondContact O-N 3.37Å; S755-F796 WeakPolarHBondContact OG-CD2 3.47Å; S755-Q799 PolarHBondContact O-NE2 2.97Å; S755-Q799 PolarHBondContact OG-OE1 3.21Å |
| 756 | T | 95.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 174.7 | -71 | 0 | 0 | 0 | 0 | 111 | E714 L717 R718 K752 L753 I754 A758 E759 W760 | E714-T756 HydrophobicContact CB-CG2 4Å; E714-T756 HydrophobicContact CG-CG2 4.05Å; E714-T756 PolarHBondContact OE1-OG1 2.66Å; L717-T756 HydrophobicContact CB-CG2 4.07Å; L717-T756 HydrophobicContact CD1-CG2 4.1Å; R718-T756 HydrophobicContact CG-CG2 4.02Å; R718-T756 PolarHBondContact NH2-OG1 2.8Å; K752-T756 PolarHBondContact O-N 2.6Å; K752-T756 PolarHBondContact O-OG1 3.37Å; L753-T756 PolarHBondContact O-N 3.47Å; I754-T756 VanDerWaalsContact C-N 3.32Å; I754-T756 PolarHBondContact O-N 3.24Å; T756-A758 PolarHBondContact O-N 3.43Å; T756-E759 PolarHBondContact O-N 3.19Å; T756-W760 WeakPolarHBondContact O-CB 3.44Å; T756-W760 PolarHBondContact O-N 3.46Å |
| 757 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L717 L730 I733 L753 I754 E759 W760 V761 F766 | L717-A757 HydrophobicContact CD1-CB 3.93Å; L717-A757 HydrophobicContact CD2-CB 4.45Å; L730-A757 HydrophobicContact CD1-CB 3.82Å; I733-A757 HydrophobicContact CD1-CB 4.38Å; L753-A757 PolarHBondContact O-N 2.85Å; I754-A757 HydrophobicContact CD1-CB 4.25Å; I754-A757 PolarHBondContact O-N 3.22Å; A757-E759 PolarHBondContact O-N 3.33Å; A757-W760 PolarHBondContact O-N 3.46Å; A757-V761 HydrophobicContact CB-CG2 4.4Å; A757-V761 VanDerWaalsContact O-CB 3.25Å; A757-V761 WeakPolarHBondContact O-CB 3.4Å; A757-V761 WeakPolarHBondContact O-CG2 3.47Å; A757-V761 PolarHBondContact O-N 3.26Å; A757-F766 HydrophobicContact CB-CE2 4.43Å |
| 758 | A | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -37.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I754 T756 F766 F796 L800 V803 H804 | I754-A758 WeakPolarHBondContact O-CB 3.45Å; I754-A758 PolarHBondContact O-N 3.48Å; T756-A758 PolarHBondContact O-N 3.43Å; A758-F766 HydrophobicContact CB-CE2 3.91Å; A758-F766 HydrophobicContact CB-CZ 4Å; A758-F796 HydrophobicContact CB-CE2 3.94Å; A758-L800 HydrophobicContact CB-CD2 3.81Å; A758-V803 VanDerWaalsContact O-CG1 3.29Å; A758-V803 WeakPolarHBondContact O-CG1 3.48Å; A758-H804 PolarHBondContact O-NE2 2.94Å |
| 759 | E | 92.9 | Very high | 94.7 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -79.8 | -41 | -178.9 | -179.7 | 176.6 | -154.7 | 0 | 0 | 114.2 | S755 T756 A757 H928 P929 Y932 | S755-E759 PolarHBondContact O-N 3.37Å; T756-E759 PolarHBondContact O-N 3.19Å; A757-E759 PolarHBondContact O-N 3.33Å; E759-H928 VanDerWaalsContact OE1-CB 3.23Å; E759-H928 WeakPolarHBondContact OE1-CB 3.4Å; E759-H928 IonicContact OE1-CE1 3.33Å; E759-H928 IonicContact OE1-CG 3.73Å; E759-H928 VanDerWaalsContact OE1-CG 3.3Å; E759-H928 IonicContact OE1-ND1 2.71Å; E759-H928 PolarHBondContact OE1-ND1 2.72Å; E759-H928 IonicContact OE2-CE1 3.54Å; E759-H928 PolarHBondContact OE2-CE1 2.67Å; E759-H928 IonicContact OE2-ND1 3.02Å; E759-H928 PolarHBondContact OE2-ND1 3.06Å; E759-P929 HydrophobicContact CG-CG 4.22Å; E759-P929 WeakPolarHBondContact OE1-CD 3.28Å; E759-Y932 PolarHBondContact OE1-OH 3.46Å |
| 760 | W | 92.4 | Very high | 94.8 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -100.8 | -24.2 | -166.7 | -68.3 | 85.8 | 0 | 0 | 0 | 114.1 | I677 R718 Y721 T756 A757 I926 A927 P929 | I677-W760 HydrophobicContact CG2-CH2 4.4Å; I677-W760 HydrophobicContact CG2-CZ3 4.39Å; R718-W760 HydrophobicContact CB-CD2 4.08Å; R718-W760 HydrophobicContact CB-CE3 4.09Å; R718-W760 HydrophobicContact CB-CG 4.44Å; R718-W760 HydrophobicContact CB-CZ3 4.44Å; R718-W760 HydrophobicContact CG-CD2 3.67Å; R718-W760 HydrophobicContact CG-CE3 4.18Å; R718-W760 HydrophobicContact CG-CG 3.84Å; R718-W760 HydrophobicContact CG-CZ2 4.19Å; Y721-W760 AromaticContact CD2-CE3 3.79Å; Y721-W760 HydrophobicContact CD2-CE3 3.79Å; Y721-W760 HydrophobicContact CD2-CZ3 4.38Å; Y721-W760 WeakPolarHBondContact CD2-O 3.35Å; Y721-W760 HydrophobicContact CG-CE3 4.25Å; T756-W760 WeakPolarHBondContact O-CB 3.44Å; T756-W760 PolarHBondContact O-N 3.46Å; A757-W760 PolarHBondContact O-N 3.46Å; W760-I926 HydrophobicContact CH2-CG2 3.55Å; W760-I926 HydrophobicContact CZ2-CG2 3.59Å; W760-A927 WeakPolarHBondContact CH2-O 3.5Å; W760-P929 HydrophobicContact CD2-CG 4.05Å; W760-P929 HydrophobicContact CE3-CG 3.95Å; W760-P929 HydrophobicContact CH2-CG 4.2Å; W760-P929 HydrophobicContact CZ2-CG 4.27Å; W760-P929 HydrophobicContact CZ3-CG 4.02Å |
| 761 | V | 92.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -81.4 | 140.5 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | L717 L730 A757 Y763 | L717-V761 HydrophobicContact CD2-CG2 3.91Å; L730-V761 HydrophobicContact CB-CG2 4.47Å; L730-V761 HydrophobicContact CD2-CG1 4.08Å; A757-V761 HydrophobicContact CB-CG2 4.4Å; A757-V761 VanDerWaalsContact O-CB 3.25Å; A757-V761 WeakPolarHBondContact O-CB 3.4Å; A757-V761 WeakPolarHBondContact O-CG2 3.47Å; A757-V761 PolarHBondContact O-N 3.26Å; V761-Y763 PolarHBondContact O-N 2.98Å |
| 762 | A | 92.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 32 Ų | 32 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | trans | -57 | 137.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K722 S764 S765 F766 | K722-A762 HydrophobicContact CB-CB 4.5Å; K722-A762 HydrophobicContact CG-CB 4.32Å; A762-S764 PolarHBondContact O-N 3.02Å; A762-S764 VanDerWaalsContact O-N 3.15Å; A762-S765 WeakPolarHBondContact O-CA 3.45Å; A762-S765 WeakPolarHBondContact O-CB 3.29Å; A762-S765 PolarHBondContact O-N 2.98Å; A762-F766 PolarHBondContact O-N 3.11Å | ||
| 763 | Y | 93.2 | Very high | 94.9 | Very high | 64 Ų | 64 | 28.3 Ų | 28.3 | 25% | 0.251 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -54.1 | -38.1 | -179.7 | 174.8 | -97.9 | 0 | 0 | 0 | 112.8 | V761 S765 F766 Q767 Y770 H804 D808 H812 | V761-Y763 PolarHBondContact O-N 2.98Å; Y763-S765 PolarHBondContact O-N 3.49Å; Y763-F766 PolarHBondContact O-N 3.44Å; Y763-F766 VanDerWaalsContact O-N 3.15Å; Y763-Q767 HydrophobicContact CE1-CB 4.27Å; Y763-Q767 HydrophobicContact CE1-CG 4.45Å; Y763-Q767 VanDerWaalsContact O-CB 3.29Å; Y763-Q767 WeakPolarHBondContact O-CB 3.46Å; Y763-Q767 PolarHBondContact O-N 3.46Å; Y763-Y770 HydrophobicContact CE2-CD2 4.43Å; Y763-Y770 HydrophobicContact CE2-CE2 4.24Å; Y763-H804 HydrophobicContact CD2-CB 4.3Å; Y763-H804 AromaticContact CD2-CD2 3.94Å; Y763-H804 AromaticContact CD2-CG 3.91Å; Y763-H804 HydrophobicContact CE2-CB 4.38Å; Y763-D808 HydrophobicContact CE2-CB 4.29Å; Y763-D808 VanDerWaalsContact OH-CB 3.32Å; Y763-D808 WeakPolarHBondContact OH-CB 3.27Å; Y763-H812 PolarHBondContact OH-NE2 3.25Å |
| 764 | S | 93.1 | Very high | 95 | Very high | 84 Ų | 84 | 28.3 Ų | 28.3 | 59% | 0.587 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -58 | -32.8 | 175.6 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | A762 P768 | A762-S764 PolarHBondContact O-N 3.02Å; A762-S764 VanDerWaalsContact O-N 3.15Å; S764-P768 WeakPolarHBondContact O-CD 3.4Å |
| 765 | S | 93.5 | Very high | 95 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -88.5 | -25.4 | 179 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | A762 Y763 P768 | A762-S765 WeakPolarHBondContact O-CA 3.45Å; A762-S765 WeakPolarHBondContact O-CB 3.29Å; A762-S765 PolarHBondContact O-N 2.98Å; Y763-S765 PolarHBondContact O-N 3.49Å; S765-P768 WeakPolarHBondContact O-CD 3.34Å |
| 766 | F | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -80.3 | -37.2 | 175.9 | -169 | -87.1 | 0 | 0 | 0 | 112.6 | L730 I754 A757 A758 A762 Y763 P768 H769 Y770 I773 L800 H804 | L730-F766 HydrophobicContact CD2-CB 4.22Å; L730-F766 HydrophobicContact CD2-CD2 3.74Å; L730-F766 HydrophobicContact CD2-CG 4.29Å; I754-F766 HydrophobicContact CD1-CE2 4.44Å; A757-F766 HydrophobicContact CB-CE2 4.43Å; A758-F766 HydrophobicContact CB-CE2 3.91Å; A758-F766 HydrophobicContact CB-CZ 4Å; A762-F766 PolarHBondContact O-N 3.11Å; Y763-F766 PolarHBondContact O-N 3.44Å; Y763-F766 VanDerWaalsContact O-N 3.15Å; F766-P768 VanDerWaalsContact C-CD 3.4Å; F766-H769 PolarHBondContact O-N 3.47Å; F766-Y770 AromaticContact CD1-CD2 3.61Å; F766-Y770 HydrophobicContact CD1-CD2 3.61Å; F766-Y770 AromaticContact CD1-CE2 3.94Å; F766-Y770 HydrophobicContact CD1-CE2 3.94Å; F766-Y770 HydrophobicContact CD1-CG 4.26Å; F766-Y770 HydrophobicContact CE1-CD1 4.49Å; F766-Y770 AromaticContact CE1-CD2 3.63Å; F766-Y770 HydrophobicContact CE1-CD2 3.63Å; F766-Y770 AromaticContact CE1-CE2 3.78Å; F766-Y770 HydrophobicContact CE1-CE2 3.78Å; F766-Y770 AromaticContact CE1-CG 3.99Å; F766-Y770 HydrophobicContact CE1-CG 3.99Å; F766-Y770 PolarHBondContact O-N 3.32Å; F766-I773 HydrophobicContact CE1-CD1 4.1Å; F766-I773 HydrophobicContact CE2-CD1 3.84Å; F766-I773 HydrophobicContact CZ-CD1 3.54Å; F766-L800 HydrophobicContact CZ-CD2 4.45Å; F766-H804 AromaticContact CD1-CE1 3.56Å; F766-H804 AromaticContact CE1-CE1 3.65Å |
| 767 | Q | 95.3 | Very high | 95.1 | Very high | 91 Ų | 91 | 30.6 Ų | 30.6 | 43% | 0.425 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -50.4 | -42.8 | -176 | -179 | -170.4 | -14.1 | 0 | 0 | 114.5 | Y763 H769 Y770 | Y763-Q767 HydrophobicContact CE1-CB 4.27Å; Y763-Q767 HydrophobicContact CE1-CG 4.45Å; Y763-Q767 VanDerWaalsContact O-CB 3.29Å; Y763-Q767 WeakPolarHBondContact O-CB 3.46Å; Y763-Q767 PolarHBondContact O-N 3.46Å; Q767-H769 PolarHBondContact O-N 3.2Å; Q767-Y770 WeakPolarHBondContact O-CB 3.21Å; Q767-Y770 PolarHBondContact O-N 3.37Å |
| 768 | P | 95.1 | Very high | 95.2 | Very high | 92 Ų | 92 | 31.3 Ų | 31.3 | 60% | 0.597 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -60.9 | -28.2 | 179.1 | -24.3 | 35.7 | 0 | 0 | 0 | 113.9 | S764 S765 F766 | S764-P768 WeakPolarHBondContact O-CD 3.4Å; S765-P768 WeakPolarHBondContact O-CD 3.34Å; F766-P768 VanDerWaalsContact C-CD 3.4Å |
| 769 | H | 96.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 34.6 Ų | 34.6 | 18% | 0.181 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -96.9 | -6.5 | -176.7 | -62.6 | -66.9 | 0 | 0 | 0 | 113.3 | S731 I734 F766 Q767 N771 T772 I773 | S731-H769 PolarHBondContact OG-NE2 2.97Å; I734-H769 HydrophobicContact CD1-CB 4.26Å; F766-H769 PolarHBondContact O-N 3.47Å; Q767-H769 PolarHBondContact O-N 3.2Å; H769-N771 PolarHBondContact O-N 3.37Å; H769-T772 WeakPolarHBondContact O-CB 3.28Å; H769-T772 PolarHBondContact O-N 3.13Å; H769-T772 VanDerWaalsContact O-N 3.16Å; H769-I773 HydrophobicContact CB-CD1 3.93Å; H769-I773 HydrophobicContact CB-CG1 4.5Å; H769-I773 WeakPolarHBondContact O-CD1 3.46Å; H769-I773 VanDerWaalsContact O-CG1 3.31Å; H769-I773 WeakPolarHBondContact O-CG1 3.26Å; H769-I773 PolarHBondContact O-N 3.17Å |
| 770 | Y | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.4 | -52.7 | -170 | -147.8 | -55.5 | 0 | 0 | 0 | 112.7 | Y763 F766 Q767 T772 I773 L774 L800 H804 H812 | Y763-Y770 HydrophobicContact CE2-CD2 4.43Å; Y763-Y770 HydrophobicContact CE2-CE2 4.24Å; F766-Y770 AromaticContact CD1-CD2 3.61Å; F766-Y770 HydrophobicContact CD1-CD2 3.61Å; F766-Y770 AromaticContact CD1-CE2 3.94Å; F766-Y770 HydrophobicContact CD1-CE2 3.94Å; F766-Y770 HydrophobicContact CD1-CG 4.26Å; F766-Y770 HydrophobicContact CE1-CD1 4.49Å; F766-Y770 AromaticContact CE1-CD2 3.63Å; F766-Y770 HydrophobicContact CE1-CD2 3.63Å; F766-Y770 AromaticContact CE1-CE2 3.78Å; F766-Y770 HydrophobicContact CE1-CE2 3.78Å; F766-Y770 AromaticContact CE1-CG 3.99Å; F766-Y770 HydrophobicContact CE1-CG 3.99Å; F766-Y770 PolarHBondContact O-N 3.32Å; Q767-Y770 WeakPolarHBondContact O-CB 3.21Å; Q767-Y770 PolarHBondContact O-N 3.37Å; Y770-T772 VanDerWaalsContact C-N 3.31Å; Y770-T772 PolarHBondContact O-N 3.01Å; Y770-I773 PolarHBondContact O-N 3.33Å; Y770-L774 HydrophobicContact CD1-CD1 3.7Å; Y770-L774 HydrophobicContact CD1-CG 3.95Å; Y770-L774 HydrophobicContact CE1-CD1 3.79Å; Y770-L774 HydrophobicContact CE1-CD2 4.47Å; Y770-L774 HydrophobicContact CE1-CG 4.09Å; Y770-L774 WeakPolarHBondContact O-CG 3.42Å; Y770-L774 PolarHBondContact O-N 3.15Å; Y770-L800 HydrophobicContact CE1-CD1 4.17Å; Y770-H804 AromaticContact CE2-CE1 3.93Å; Y770-H804 AromaticContact CE2-ND1 3.25Å; Y770-H804 VanDerWaalsContact CE2-ND1 3.25Å; Y770-H804 WeakPolarHBondContact CE2-ND1 3.35Å; Y770-H804 AromaticContact CZ-ND1 3.66Å; Y770-H804 PolarHBondContact OH-ND1 3.37Å; Y770-H812 HydrophobicContact CD1-CB 3.7Å; Y770-H812 AromaticContact CD1-CG 3.78Å; Y770-H812 AromaticContact CD2-CD2 3.58Å; Y770-H812 AromaticContact CD2-NE2 3.82Å; Y770-H812 HydrophobicContact CE1-CB 4.04Å; Y770-H812 AromaticContact CE2-CD2 3.97Å; Y770-H812 HydrophobicContact CG-CB 4.14Å; Y770-H812 AromaticContact CG-CD2 3.65Å; Y770-H812 AromaticContact CG-CG 3.67Å; Y770-H812 AromaticContact CG-ND1 3.98Å; Y770-H812 AromaticContact CG-NE2 3.99Å |
| 771 | N | 96 | Very high | 95.2 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.4 | -35.4 | -178.6 | -68.6 | -6.6 | 0 | 0 | 0 | 111.5 | H769 T775 H812 | H769-N771 PolarHBondContact O-N 3.37Å; N771-T775 VanDerWaalsContact O-CB 3.27Å; N771-T775 WeakPolarHBondContact O-CB 3.31Å; N771-T775 PolarHBondContact O-N 3.26Å; N771-T775 PolarHBondContact O-OG1 2.76Å; N771-H812 PolarHBondContact OD1-ND1 3.17Å; N771-H812 PolarHBondContact OD1-O 3.19Å |
| 772 | T | 96.7 | Very high | 95.1 | Very high | 67 Ų | 67 | 41.2 Ų | 41.2 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 175.4 | -54 | 0 | 0 | 0 | 0 | 110.6 | I734 H769 Y770 L774 T775 I776 | I734-T772 HydrophobicContact CG2-CG2 4.4Å; H769-T772 WeakPolarHBondContact O-CB 3.28Å; H769-T772 PolarHBondContact O-N 3.13Å; H769-T772 VanDerWaalsContact O-N 3.16Å; Y770-T772 VanDerWaalsContact C-N 3.31Å; Y770-T772 PolarHBondContact O-N 3.01Å; T772-L774 PolarHBondContact O-N 2.92Å; T772-T775 PolarHBondContact O-N 3.07Å; T772-I776 HydrophobicContact CG2-CD1 4.06Å; T772-I776 VanDerWaalsContact O-CG1 3.27Å; T772-I776 WeakPolarHBondContact O-CG1 3.2Å; T772-I776 PolarHBondContact O-N 3.45Å |
| 773 | I | 97.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.3 | -50 | 178.6 | -67.2 | 156.7 | 0 | 0 | 0 | 110.6 | I734 F737 I754 F766 H769 Y770 T775 I776 L777 F796 | I734-I773 HydrophobicContact CD1-CD1 4.07Å; I734-I773 HydrophobicContact CD1-CG1 3.9Å; F737-I773 HydrophobicContact CE1-CB 4.46Å; F737-I773 HydrophobicContact CE1-CG1 4.38Å; F737-I773 HydrophobicContact CE1-CG2 4.18Å; F737-I773 HydrophobicContact CZ-CG2 4.04Å; I754-I773 HydrophobicContact CD1-CD1 3.68Å; I754-I773 HydrophobicContact CD1-CG1 3.91Å; I754-I773 HydrophobicContact CD1-CG2 4.28Å; I754-I773 HydrophobicContact CG1-CD1 4.3Å; I754-I773 HydrophobicContact CG1-CG1 4.4Å; I754-I773 HydrophobicContact CG1-CG2 3.83Å; F766-I773 HydrophobicContact CE1-CD1 4.1Å; F766-I773 HydrophobicContact CE2-CD1 3.84Å; F766-I773 HydrophobicContact CZ-CD1 3.54Å; H769-I773 HydrophobicContact CB-CD1 3.93Å; H769-I773 HydrophobicContact CB-CG1 4.5Å; H769-I773 WeakPolarHBondContact O-CD1 3.46Å; H769-I773 VanDerWaalsContact O-CG1 3.31Å; H769-I773 WeakPolarHBondContact O-CG1 3.26Å; H769-I773 PolarHBondContact O-N 3.17Å; Y770-I773 PolarHBondContact O-N 3.33Å; I773-T775 PolarHBondContact O-N 3.16Å; I773-I776 PolarHBondContact O-N 3.23Å; I773-L777 HydrophobicContact CG2-CD1 4.14Å; I773-L777 WeakPolarHBondContact O-CG 3.32Å; I773-L777 PolarHBondContact O-N 2.83Å; I773-L777 VanDerWaalsContact O-N 3.12Å; I773-F796 HydrophobicContact CG2-CE1 4.35Å; I773-F796 HydrophobicContact CG2-CZ 4.36Å |
| 774 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 178.9 | -73.1 | -179.6 | 0 | 0 | 0 | 112.1 | Y770 T772 I776 L777 F778 L800 H812 V813 I816 | Y770-L774 HydrophobicContact CD1-CD1 3.7Å; Y770-L774 HydrophobicContact CD1-CG 3.95Å; Y770-L774 HydrophobicContact CE1-CD1 3.79Å; Y770-L774 HydrophobicContact CE1-CD2 4.47Å; Y770-L774 HydrophobicContact CE1-CG 4.09Å; Y770-L774 WeakPolarHBondContact O-CG 3.42Å; Y770-L774 PolarHBondContact O-N 3.15Å; T772-L774 PolarHBondContact O-N 2.92Å; L774-I776 VanDerWaalsContact C-N 3.34Å; L774-I776 PolarHBondContact O-N 3.37Å; L774-L777 PolarHBondContact O-N 3.35Å; L774-F778 HydrophobicContact CB-CD2 4.29Å; L774-F778 HydrophobicContact CB-CE2 3.87Å; L774-F778 HydrophobicContact CB-CZ 4.46Å; L774-F778 HydrophobicContact CD2-CZ 4.32Å; L774-F778 WeakPolarHBondContact O-CB 3.27Å; L774-F778 WeakPolarHBondContact O-CD2 3.47Å; L774-F778 WeakPolarHBondContact O-CG 3.49Å; L774-F778 PolarHBondContact O-N 3.24Å; L774-L800 HydrophobicContact CD2-CD1 4.3Å; L774-H812 HydrophobicContact CD1-CB 4.14Å; L774-V813 HydrophobicContact CD1-CG2 3.84Å; L774-I816 HydrophobicContact CB-CD1 3.51Å; L774-I816 HydrophobicContact CD1-CD1 4.06Å; L774-I816 HydrophobicContact CG-CD1 4.47Å |
| 775 | T | 96.5 | Very high | 94 | Very high | 62 Ų | 62 | 45.8 Ų | 45.8 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 178.6 | -59 | 0 | 0 | 0 | 0 | 111.1 | N771 T772 I773 L777 F778 V779 | N771-T775 VanDerWaalsContact O-CB 3.27Å; N771-T775 WeakPolarHBondContact O-CB 3.31Å; N771-T775 PolarHBondContact O-N 3.26Å; N771-T775 PolarHBondContact O-OG1 2.76Å; T772-T775 PolarHBondContact O-N 3.07Å; I773-T775 PolarHBondContact O-N 3.16Å; T775-L777 VanDerWaalsContact C-N 3.34Å; T775-L777 PolarHBondContact O-N 2.95Å; T775-F778 PolarHBondContact O-N 3.09Å; T775-V779 HydrophobicContact CG2-CG2 4.32Å; T775-V779 WeakPolarHBondContact O-CB 3.49Å; T775-V779 VanDerWaalsContact O-CG2 3.28Å; T775-V779 WeakPolarHBondContact O-CG2 3.29Å; T775-V779 PolarHBondContact O-N 3.46Å |
| 776 | I | 96.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.092 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.8 | -48.8 | 175.5 | -70.9 | 166.9 | 0 | 0 | 0 | 110.9 | F737 H738 V741 T772 I773 L774 V779 K780 | F737-I776 HydrophobicContact CD1-CD1 4.13Å; F737-I776 HydrophobicContact CE1-CB 4.06Å; F737-I776 HydrophobicContact CE1-CD1 3.82Å; F737-I776 HydrophobicContact CE1-CG2 3.73Å; F737-I776 HydrophobicContact CZ-CG2 4.04Å; H738-I776 HydrophobicContact CB-CD1 3.94Å; V741-I776 HydrophobicContact CG1-CG2 4.33Å; T772-I776 HydrophobicContact CG2-CD1 4.06Å; T772-I776 VanDerWaalsContact O-CG1 3.27Å; T772-I776 WeakPolarHBondContact O-CG1 3.2Å; T772-I776 PolarHBondContact O-N 3.45Å; I773-I776 PolarHBondContact O-N 3.23Å; L774-I776 VanDerWaalsContact C-N 3.34Å; L774-I776 PolarHBondContact O-N 3.37Å; I776-V779 PolarHBondContact O-N 3.12Å; I776-K780 PolarHBondContact O-N 2.9Å |
| 777 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | -179.4 | -65 | 173.1 | 0 | 0 | 0 | 111.9 | F737 V741 M751 I773 L774 T775 K780 L781 F789 F793 F796 | F737-L777 HydrophobicContact CE2-CD2 4.25Å; F737-L777 HydrophobicContact CZ-CD2 3.89Å; F737-L777 HydrophobicContact CZ-CG 4.1Å; V741-L777 HydrophobicContact CG1-CD2 4.18Å; V741-L777 HydrophobicContact CG2-CD2 4.42Å; M751-L777 HydrophobicContact CE-CD2 4.41Å; M751-L777 HydrophobicContact SD-CD2 3.49Å; M751-L777 WeakPolarHBondContact SD-CD2 3.13Å; I773-L777 HydrophobicContact CG2-CD1 4.14Å; I773-L777 WeakPolarHBondContact O-CG 3.32Å; I773-L777 PolarHBondContact O-N 2.83Å; I773-L777 VanDerWaalsContact O-N 3.12Å; L774-L777 PolarHBondContact O-N 3.35Å; T775-L777 VanDerWaalsContact C-N 3.34Å; T775-L777 PolarHBondContact O-N 2.95Å; L777-K780 PolarHBondContact O-N 3.34Å; L777-L781 WeakPolarHBondContact O-CB 3.37Å; L777-L781 VanDerWaalsContact O-CG 3.31Å; L777-L781 WeakPolarHBondContact O-CG 3.47Å; L777-L781 PolarHBondContact O-N 3.38Å; L777-F789 HydrophobicContact CD2-CZ 3.84Å; L777-F793 HydrophobicContact CB-CD2 4.06Å; L777-F793 HydrophobicContact CB-CE2 4.12Å; L777-F793 HydrophobicContact CD1-CD2 4.15Å; L777-F793 HydrophobicContact CD1-CE2 4.24Å; L777-F796 HydrophobicContact CD1-CD1 3.73Å; L777-F796 HydrophobicContact CD1-CE1 3.53Å |
| 778 | F | 96.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.2 | -64.9 | -36.5 | 0 | 0 | 0 | 112.3 | L774 T775 K780 L781 Q782 F793 I816 L820 V824 L828 | L774-F778 HydrophobicContact CB-CD2 4.29Å; L774-F778 HydrophobicContact CB-CE2 3.87Å; L774-F778 HydrophobicContact CB-CZ 4.46Å; L774-F778 HydrophobicContact CD2-CZ 4.32Å; L774-F778 WeakPolarHBondContact O-CB 3.27Å; L774-F778 WeakPolarHBondContact O-CD2 3.47Å; L774-F778 WeakPolarHBondContact O-CG 3.49Å; L774-F778 PolarHBondContact O-N 3.24Å; T775-F778 PolarHBondContact O-N 3.09Å; F778-K780 VanDerWaalsContact C-N 3.32Å; F778-K780 PolarHBondContact O-N 3.28Å; F778-L781 HydrophobicContact CD1-CD1 4.42Å; F778-L781 PolarHBondContact O-N 2.99Å; F778-Q782 WeakPolarHBondContact O-CG 3.37Å; F778-Q782 PolarHBondContact O-N 3.46Å; F778-F793 HydrophobicContact CD1-CE2 4.42Å; F778-F793 HydrophobicContact CD1-CZ 4.35Å; F778-F793 HydrophobicContact CE1-CE2 4.02Å; F778-F793 AromaticContact CE1-CZ 3.67Å; F778-F793 HydrophobicContact CE1-CZ 3.67Å; F778-I816 HydrophobicContact CD2-CD1 4.12Å; F778-I816 HydrophobicContact CE2-CD1 3.85Å; F778-L820 HydrophobicContact CD2-CD2 4.1Å; F778-L820 HydrophobicContact CE2-CD2 3.7Å; F778-L820 HydrophobicContact CZ-CD2 4.23Å; F778-V824 HydrophobicContact CE1-CG2 3.68Å; F778-V824 HydrophobicContact CZ-CG2 3.76Å; F778-L828 HydrophobicContact CD1-CD1 4.35Å; F778-L828 HydrophobicContact CE1-CD1 4.28Å |
| 779 | V | 94.5 | Very high | 93.2 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | T775 I776 L781 Q782 T783 | T775-V779 HydrophobicContact CG2-CG2 4.32Å; T775-V779 WeakPolarHBondContact O-CB 3.49Å; T775-V779 VanDerWaalsContact O-CG2 3.28Å; T775-V779 WeakPolarHBondContact O-CG2 3.29Å; T775-V779 PolarHBondContact O-N 3.46Å; I776-V779 PolarHBondContact O-N 3.12Å; V779-L781 PolarHBondContact O-N 3.1Å; V779-Q782 PolarHBondContact O-N 3.15Å; V779-T783 HydrophobicContact CG1-CG2 4.28Å; V779-T783 WeakPolarHBondContact O-CB 3.42Å; V779-T783 WeakPolarHBondContact O-CG2 3.32Å; V779-T783 PolarHBondContact O-N 3.39Å; V779-T783 PolarHBondContact O-OG1 2.9Å |
| 780 | K | 93.2 | Very high | 93 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 175 | 178.4 | 68.7 | -175.9 | -145.2 | 0 | 112.1 | V741 N742 I776 L777 F778 Q782 M784 F789 | V741-K780 HydrophobicContact CG1-CB 4.04Å; V741-K780 HydrophobicContact CG1-CD 4.48Å; V741-K780 HydrophobicContact CG1-CG 3.93Å; V741-K780 WeakPolarHBondContact O-CD 3.47Å; V741-K780 WeakPolarHBondContact O-CE 3.37Å; V741-K780 PolarHBondContact O-NZ 2.99Å; N742-K780 PolarHBondContact O-NZ 2.97Å; I776-K780 PolarHBondContact O-N 2.9Å; L777-K780 PolarHBondContact O-N 3.34Å; F778-K780 VanDerWaalsContact C-N 3.32Å; F778-K780 PolarHBondContact O-N 3.28Å; K780-Q782 VanDerWaalsContact C-N 3.28Å; K780-Q782 PolarHBondContact O-N 2.84Å; K780-M784 HydrophobicContact CD-CB 4.03Å; K780-M784 CarbonylContact O-C 3.45Å; K780-M784 VanDerWaalsContact O-C 3.27Å; K780-M784 WeakPolarHBondContact O-CA 3.35Å; K780-M784 PolarHBondContact O-N 3.32Å; K780-F789 HydrophobicContact CB-CE1 3.83Å; K780-F789 HydrophobicContact CB-CZ 4.17Å; K780-F789 HydrophobicContact CG-CD1 3.76Å; K780-F789 HydrophobicContact CG-CE1 3.29Å; K780-F789 HydrophobicContact CG-CE2 4.36Å; K780-F789 HydrophobicContact CG-CG 4.47Å; K780-F789 HydrophobicContact CG-CZ 3.64Å |
| 781 | L | 93.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.6 | -25.2 | 177.3 | -74.4 | 166.7 | 0 | 0 | 0 | 113.5 | L777 F778 V779 K785 F789 F793 L828 | L777-L781 WeakPolarHBondContact O-CB 3.37Å; L777-L781 VanDerWaalsContact O-CG 3.31Å; L777-L781 WeakPolarHBondContact O-CG 3.47Å; L777-L781 PolarHBondContact O-N 3.38Å; F778-L781 HydrophobicContact CD1-CD1 4.42Å; F778-L781 PolarHBondContact O-N 2.99Å; V779-L781 PolarHBondContact O-N 3.1Å; L781-K785 HydrophobicContact CD2-CG 4.44Å; L781-K785 WeakPolarHBondContact O-CB 3.24Å; L781-F789 HydrophobicContact CD2-CD1 3.71Å; L781-F789 HydrophobicContact CD2-CE1 3.97Å; L781-F789 HydrophobicContact CG-CD1 4.13Å; L781-F789 HydrophobicContact CG-CE1 3.89Å; L781-F793 HydrophobicContact CD1-CB 4.26Å; L781-F793 HydrophobicContact CD1-CD1 3.76Å; L781-F793 HydrophobicContact CD1-CD2 3.76Å; L781-F793 HydrophobicContact CD1-CE1 4.04Å; L781-F793 HydrophobicContact CD1-CE2 4.03Å; L781-F793 HydrophobicContact CD1-CG 3.63Å; L781-F793 HydrophobicContact CD1-CZ 4.18Å; L781-F793 HydrophobicContact CD2-CB 4.5Å; L781-L828 HydrophobicContact CD1-CD1 3.82Å; L781-L828 HydrophobicContact CD1-CD2 4.22Å |
| 782 | Q | 91 | Very high | 92.8 | Very high | 155 Ų | 155 | 47.2 Ų | 47.2 | 72% | 0.724 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -83.5 | -41.6 | 175.9 | -73.6 | 176.7 | -4.1 | 0 | 0 | 112.1 | F778 V779 K780 | F778-Q782 WeakPolarHBondContact O-CG 3.37Å; F778-Q782 PolarHBondContact O-N 3.46Å; V779-Q782 PolarHBondContact O-N 3.15Å; K780-Q782 VanDerWaalsContact C-N 3.28Å; K780-Q782 PolarHBondContact O-N 2.84Å |
| 783 | T | 88.5 | Confident | 92.9 | Very high | 93 Ų | 93 | 44 Ų | 44 | 57% | 0.571 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -91.2 | -33.5 | -171.7 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | V779 | V779-T783 HydrophobicContact CG1-CG2 4.28Å; V779-T783 WeakPolarHBondContact O-CB 3.42Å; V779-T783 WeakPolarHBondContact O-CG2 3.32Å; V779-T783 PolarHBondContact O-N 3.39Å; V779-T783 PolarHBondContact O-OG1 2.9Å |
| 784 | M | 83.9 | Confident | 92.8 | Very high | 54 Ų | 54 | 44 Ų | 44 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -144.8 | 49.7 | -171.1 | -59.4 | 179.7 | 74.2 | 0 | 0 | 112.2 | R744 K780 T786 | R744-M784 HydrophobicContact CG-CE 3.76Å; K780-M784 HydrophobicContact CD-CB 4.03Å; K780-M784 CarbonylContact O-C 3.45Å; K780-M784 VanDerWaalsContact O-C 3.27Å; K780-M784 WeakPolarHBondContact O-CA 3.35Å; K780-M784 PolarHBondContact O-N 3.32Å; M784-T786 PolarHBondContact O-N 2.98Å |
| 785 | K | 83.9 | Confident | 92.7 | Very high | 116 Ų | 116 | 44.4 Ų | 44.4 | 50% | 0.504 | 23% | 0.229 | S | C | . | . | trans | -63.3 | 123.4 | 177.6 | -166.9 | 175.6 | 176.8 | 177.4 | 0 | 111.5 | L781 | L781-K785 HydrophobicContact CD2-CG 4.44Å; L781-K785 WeakPolarHBondContact O-CB 3.24Å | ||
| 786 | T | 87.6 | Confident | 92.7 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | trans | -115.8 | 156.9 | 163.9 | 67.2 | 0 | 0 | 0 | 0 | 109.2 | M784 K788 F789 A790 | M784-T786 PolarHBondContact O-N 2.98Å; T786-K788 VanDerWaalsContact C-N 3.3Å; T786-K788 PolarHBondContact O-N 3.24Å; T786-F789 PolarHBondContact O-N 3.15Å; T786-F789 WeakPolarHBondContact OG1-CB 3.43Å; T786-F789 PolarHBondContact OG1-N 3.46Å; T786-A790 WeakPolarHBondContact O-CB 3.23Å; T786-A790 PolarHBondContact O-N 2.87Å | ||
| 787 | E | 88.2 | Confident | 92.8 | Very high | 138 Ų | 138 | 40.6 Ų | 40.6 | 65% | 0.645 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.8 | -42 | 175 | -64.6 | -150.4 | 131.1 | 0 | 0 | 111.9 | F789 A790 A791 K835 | E787-F789 PolarHBondContact O-N 2.91Å; E787-A790 PolarHBondContact O-N 3.36Å; E787-A791 PolarHBondContact O-N 2.89Å; E787-K835 IonicContact OE1-NZ 3.26Å; E787-K835 PolarHBondContact OE1-NZ 3.42Å; E787-K835 IonicContact OE2-NZ 2.69Å; E787-K835 PolarHBondContact OE2-NZ 3.43Å |
| 788 | K | 90.8 | Very high | 92.7 | Very high | 92 Ų | 92 | 40.6 Ų | 40.6 | 40% | 0.4 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.1 | -51.1 | 175.3 | -178 | -165.4 | 175.6 | -152.6 | 0 | 111.2 | D747 T786 A790 A791 L792 | D747-K788 IonicContact OD1-NZ 3.83Å; D747-K788 PolarHBondContact OD1-NZ 2.73Å; T786-K788 VanDerWaalsContact C-N 3.3Å; T786-K788 PolarHBondContact O-N 3.24Å; K788-A790 PolarHBondContact O-N 2.94Å; K788-A791 WeakPolarHBondContact O-CB 3.3Å; K788-A791 PolarHBondContact O-N 3.18Å; K788-L792 HydrophobicContact CG-CD1 4.45Å; K788-L792 WeakPolarHBondContact O-CG 3.35Å; K788-L792 PolarHBondContact O-N 3.31Å |
| 789 | F | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | -178 | -171.5 | -109.8 | 0 | 0 | 0 | 112.2 | V741 D747 M751 L777 K780 L781 T786 E787 A791 L792 F793 | V741-F789 HydrophobicContact CG1-CE2 3.87Å; V741-F789 HydrophobicContact CG1-CZ 3.59Å; D747-F789 HydrophobicContact CB-CD2 3.67Å; D747-F789 HydrophobicContact CB-CE2 4.05Å; M751-F789 HydrophobicContact CG-CD2 4.46Å; M751-F789 HydrophobicContact CG-CE2 3.85Å; M751-F789 HydrophobicContact SD-CE2 3.87Å; M751-F789 HydrophobicContact SD-CZ 4.21Å; L777-F789 HydrophobicContact CD2-CZ 3.84Å; K780-F789 HydrophobicContact CB-CE1 3.83Å; K780-F789 HydrophobicContact CB-CZ 4.17Å; K780-F789 HydrophobicContact CG-CD1 3.76Å; K780-F789 HydrophobicContact CG-CE1 3.29Å; K780-F789 HydrophobicContact CG-CE2 4.36Å; K780-F789 HydrophobicContact CG-CG 4.47Å; K780-F789 HydrophobicContact CG-CZ 3.64Å; L781-F789 HydrophobicContact CD2-CD1 3.71Å; L781-F789 HydrophobicContact CD2-CE1 3.97Å; L781-F789 HydrophobicContact CG-CD1 4.13Å; L781-F789 HydrophobicContact CG-CE1 3.89Å; T786-F789 PolarHBondContact O-N 3.15Å; T786-F789 WeakPolarHBondContact OG1-CB 3.43Å; T786-F789 PolarHBondContact OG1-N 3.46Å; E787-F789 PolarHBondContact O-N 2.91Å; F789-A791 VanDerWaalsContact C-N 3.28Å; F789-A791 PolarHBondContact O-N 2.91Å; F789-L792 PolarHBondContact O-N 3.33Å; F789-F793 WeakPolarHBondContact O-CB 3.42Å; F789-F793 PolarHBondContact O-N 2.74Å |
| 790 | A | 93.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T786 E787 K788 A794 Q832 | T786-A790 WeakPolarHBondContact O-CB 3.23Å; T786-A790 PolarHBondContact O-N 2.87Å; E787-A790 PolarHBondContact O-N 3.36Å; K788-A790 PolarHBondContact O-N 2.94Å; A790-A794 WeakPolarHBondContact O-CB 3.23Å; A790-A794 PolarHBondContact O-N 3.35Å; A790-Q832 HydrophobicContact CB-CG 4.26Å |
| 791 | A | 93.8 | Very high | 93 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 20% | 0.198 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E787 K788 F789 A794 T795 R846 | E787-A791 PolarHBondContact O-N 2.89Å; K788-A791 WeakPolarHBondContact O-CB 3.3Å; K788-A791 PolarHBondContact O-N 3.18Å; F789-A791 VanDerWaalsContact C-N 3.28Å; F789-A791 PolarHBondContact O-N 2.91Å; A791-A794 PolarHBondContact O-N 2.99Å; A791-T795 PolarHBondContact O-N 3.31Å; A791-T795 VanDerWaalsContact O-N 3.14Å; A791-T795 PolarHBondContact O-OG1 2.93Å; A791-R846 PolarHBondContact O-NH2 3.27Å |
| 792 | L | 94.9 | Very high | 93 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 174.9 | -70.4 | 170.9 | 0 | 0 | 0 | 111.5 | Q748 M751 K788 F789 A794 T795 F796 | Q748-L792 HydrophobicContact CB-CD1 4Å; Q748-L792 HydrophobicContact CG-CD2 4.49Å; M751-L792 HydrophobicContact CB-CB 4.49Å; M751-L792 HydrophobicContact CG-CB 4.05Å; M751-L792 HydrophobicContact CG-CD1 4.27Å; K788-L792 HydrophobicContact CG-CD1 4.45Å; K788-L792 WeakPolarHBondContact O-CG 3.35Å; K788-L792 PolarHBondContact O-N 3.31Å; F789-L792 PolarHBondContact O-N 3.33Å; L792-A794 VanDerWaalsContact C-N 3.35Å; L792-A794 PolarHBondContact O-N 2.76Å; L792-T795 PolarHBondContact O-N 3.45Å; L792-F796 PolarHBondContact O-N 3.28Å |
| 793 | F | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 175.8 | 171.7 | -96 | 0 | 0 | 0 | 111.4 | L777 F778 L781 F789 T795 F796 F797 V824 L828 I829 | L777-F793 HydrophobicContact CB-CD2 4.06Å; L777-F793 HydrophobicContact CB-CE2 4.12Å; L777-F793 HydrophobicContact CD1-CD2 4.15Å; L777-F793 HydrophobicContact CD1-CE2 4.24Å; F778-F793 HydrophobicContact CD1-CE2 4.42Å; F778-F793 HydrophobicContact CD1-CZ 4.35Å; F778-F793 HydrophobicContact CE1-CE2 4.02Å; F778-F793 AromaticContact CE1-CZ 3.67Å; F778-F793 HydrophobicContact CE1-CZ 3.67Å; L781-F793 HydrophobicContact CD1-CB 4.26Å; L781-F793 HydrophobicContact CD1-CD1 3.76Å; L781-F793 HydrophobicContact CD1-CD2 3.76Å; L781-F793 HydrophobicContact CD1-CE1 4.04Å; L781-F793 HydrophobicContact CD1-CE2 4.03Å; L781-F793 HydrophobicContact CD1-CG 3.63Å; L781-F793 HydrophobicContact CD1-CZ 4.18Å; L781-F793 HydrophobicContact CD2-CB 4.5Å; F789-F793 WeakPolarHBondContact O-CB 3.42Å; F789-F793 PolarHBondContact O-N 2.74Å; F793-T795 VanDerWaalsContact C-N 3.31Å; F793-T795 PolarHBondContact O-N 2.75Å; F793-F796 PolarHBondContact O-N 3.38Å; F793-F797 HydrophobicContact CE1-CB 4.29Å; F793-F797 HydrophobicContact CE2-CD2 4.47Å; F793-F797 HydrophobicContact CZ-CB 4.26Å; F793-F797 AromaticContact CZ-CD2 3.89Å; F793-F797 HydrophobicContact CZ-CD2 3.89Å; F793-F797 HydrophobicContact CZ-CG 4.27Å; F793-F797 WeakPolarHBondContact O-CB 3.35Å; F793-F797 PolarHBondContact O-N 3.39Å; F793-V824 HydrophobicContact CE1-CG1 4.07Å; F793-V824 HydrophobicContact CZ-CG1 4.1Å; F793-L828 HydrophobicContact CD1-CB 4.18Å; F793-L828 HydrophobicContact CE1-CB 3.84Å; F793-L828 HydrophobicContact CE1-CD1 3.86Å; F793-L828 HydrophobicContact CE1-CG 4.49Å; F793-L828 HydrophobicContact CZ-CD1 4.27Å; F793-I829 HydrophobicContact CD1-CD1 4.27Å; F793-I829 HydrophobicContact CE1-CD1 3.89Å |
| 794 | A | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | A790 A791 L792 F797 C798 I829 Q832 | A790-A794 WeakPolarHBondContact O-CB 3.23Å; A790-A794 PolarHBondContact O-N 3.35Å; A791-A794 PolarHBondContact O-N 2.99Å; L792-A794 VanDerWaalsContact C-N 3.35Å; L792-A794 PolarHBondContact O-N 2.76Å; A794-F797 PolarHBondContact O-N 3.47Å; A794-C798 PolarHBondContact O-N 3.46Å; A794-C798 PolarHBondContact O-SG 3.28Å; A794-C798 VanDerWaalsContact O-SG 3.41Å; A794-I829 HydrophobicContact CB-CD1 4.01Å; A794-Q832 HydrophobicContact CB-CB 3.77Å; A794-Q832 HydrophobicContact CB-CG 3.96Å |
| 795 | T | 95.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -48.7 | 174.5 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | A791 L792 F793 F797 C798 Q799 D842 W845 R846 | A791-T795 PolarHBondContact O-N 3.31Å; A791-T795 VanDerWaalsContact O-N 3.14Å; A791-T795 PolarHBondContact O-OG1 2.93Å; L792-T795 PolarHBondContact O-N 3.45Å; F793-T795 VanDerWaalsContact C-N 3.31Å; F793-T795 PolarHBondContact O-N 2.75Å; T795-F797 VanDerWaalsContact C-N 3.35Å; T795-F797 PolarHBondContact O-N 3.45Å; T795-C798 PolarHBondContact O-N 3.41Å; T795-Q799 PolarHBondContact O-N 2.77Å; T795-D842 HydrophobicContact CG2-CB 3.71Å; T795-W845 HydrophobicContact CG2-CB 4.03Å; T795-R846 PolarHBondContact OG1-NE 2.94Å; T795-R846 PolarHBondContact OG1-NH2 3.38Å |
| 796 | F | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 178.2 | 174.3 | -111.5 | 0 | 0 | 0 | 112.5 | M751 I754 S755 A758 I773 L777 L792 F793 C798 Q799 L800 | M751-F796 HydrophobicContact CE-CB 3.26Å; M751-F796 HydrophobicContact CE-CD1 3.85Å; M751-F796 HydrophobicContact CE-CD2 4.39Å; M751-F796 HydrophobicContact CE-CG 3.59Å; I754-F796 HydrophobicContact CG1-CE2 4.39Å; I754-F796 HydrophobicContact CG1-CZ 4.05Å; I754-F796 HydrophobicContact CG2-CD2 4.24Å; I754-F796 HydrophobicContact CG2-CE1 4.41Å; I754-F796 HydrophobicContact CG2-CE2 3.83Å; I754-F796 HydrophobicContact CG2-CZ 3.92Å; S755-F796 WeakPolarHBondContact OG-CD2 3.47Å; A758-F796 HydrophobicContact CB-CE2 3.94Å; I773-F796 HydrophobicContact CG2-CE1 4.35Å; I773-F796 HydrophobicContact CG2-CZ 4.36Å; L777-F796 HydrophobicContact CD1-CD1 3.73Å; L777-F796 HydrophobicContact CD1-CE1 3.53Å; L792-F796 PolarHBondContact O-N 3.28Å; F793-F796 PolarHBondContact O-N 3.38Å; F796-C798 PolarHBondContact O-N 2.88Å; F796-Q799 WeakPolarHBondContact O-CA 3.24Å; F796-Q799 VanDerWaalsContact O-CB 3.3Å; F796-Q799 WeakPolarHBondContact O-CB 3.48Å; F796-Q799 PolarHBondContact O-N 3.09Å; F796-Q799 VanDerWaalsContact O-N 3.14Å; F796-L800 HydrophobicContact CD1-CD1 4.17Å; F796-L800 HydrophobicContact CD1-CG 4.46Å; F796-L800 HydrophobicContact CE1-CD1 3.6Å; F796-L800 HydrophobicContact CE1-CD2 4.4Å; F796-L800 HydrophobicContact CE1-CG 4.05Å; F796-L800 HydrophobicContact CE2-CD2 4.04Å; F796-L800 HydrophobicContact CE2-CG 4.2Å; F796-L800 HydrophobicContact CZ-CD1 3.87Å; F796-L800 HydrophobicContact CZ-CD2 3.8Å; F796-L800 HydrophobicContact CZ-CG 3.92Å; F796-L800 WeakPolarHBondContact O-CG 3.37Å; F796-L800 PolarHBondContact O-N 3.26Å |
| 797 | F | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 177.2 | -164.4 | -99.3 | 0 | 0 | 0 | 111.4 | F793 A794 T795 Q799 L800 L801 V809 V813 F821 V824 L825 I829 | F793-F797 HydrophobicContact CE1-CB 4.29Å; F793-F797 HydrophobicContact CE2-CD2 4.47Å; F793-F797 HydrophobicContact CZ-CB 4.26Å; F793-F797 AromaticContact CZ-CD2 3.89Å; F793-F797 HydrophobicContact CZ-CD2 3.89Å; F793-F797 HydrophobicContact CZ-CG 4.27Å; F793-F797 WeakPolarHBondContact O-CB 3.35Å; F793-F797 PolarHBondContact O-N 3.39Å; A794-F797 PolarHBondContact O-N 3.47Å; T795-F797 VanDerWaalsContact C-N 3.35Å; T795-F797 PolarHBondContact O-N 3.45Å; F797-Q799 VanDerWaalsContact C-N 3.3Å; F797-Q799 PolarHBondContact O-N 3.26Å; F797-L800 WeakPolarHBondContact O-CB 3.29Å; F797-L800 PolarHBondContact O-N 3.08Å; F797-L801 HydrophobicContact CD1-CD1 3.73Å; F797-L801 HydrophobicContact CD1-CG 4.31Å; F797-L801 HydrophobicContact CE1-CD1 3.79Å; F797-L801 HydrophobicContact CE1-CD2 4.43Å; F797-L801 HydrophobicContact CE1-CG 4.25Å; F797-L801 VanDerWaalsContact O-CG 3.29Å; F797-L801 WeakPolarHBondContact O-CG 3.46Å; F797-L801 PolarHBondContact O-N 3.07Å; F797-V809 HydrophobicContact CE2-CG1 4.42Å; F797-V809 HydrophobicContact CZ-CG1 4.37Å; F797-V813 HydrophobicContact CE2-CG2 3.91Å; F797-V813 HydrophobicContact CZ-CG2 4.15Å; F797-F821 HydrophobicContact CE1-CE2 4.1Å; F797-F821 HydrophobicContact CZ-CD2 4.11Å; F797-F821 AromaticContact CZ-CE2 3.89Å; F797-F821 HydrophobicContact CZ-CE2 3.89Å; F797-V824 HydrophobicContact CD1-CG1 4.28Å; F797-V824 HydrophobicContact CD2-CG1 4.28Å; F797-V824 HydrophobicContact CE1-CG1 3.93Å; F797-V824 HydrophobicContact CE2-CG1 3.94Å; F797-V824 HydrophobicContact CG-CG1 4.44Å; F797-V824 HydrophobicContact CZ-CG1 3.75Å; F797-L825 HydrophobicContact CE1-CD2 4.14Å; F797-I829 HydrophobicContact CB-CD1 3.73Å; F797-I829 HydrophobicContact CD1-CD1 3.71Å; F797-I829 HydrophobicContact CD1-CG1 3.94Å; F797-I829 HydrophobicContact CE1-CG1 4.46Å; F797-I829 HydrophobicContact CG-CD1 3.92Å |
| 798 | C | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -34.3 | 172 | -70.6 | 0 | 0 | 0 | 0 | 112.9 | A794 T795 F796 L801 T802 W845 G849 | A794-C798 PolarHBondContact O-N 3.46Å; A794-C798 PolarHBondContact O-SG 3.28Å; A794-C798 VanDerWaalsContact O-SG 3.41Å; T795-C798 PolarHBondContact O-N 3.41Å; F796-C798 PolarHBondContact O-N 2.88Å; C798-L801 PolarHBondContact O-N 3.29Å; C798-T802 PolarHBondContact O-N 3.38Å; C798-T802 PolarHBondContact O-OG1 2.79Å; C798-W845 WeakPolarHBondContact CB-O 3.22Å; C798-G849 WeakPolarHBondContact O-CA 3.46Å |
| 799 | Q | 95.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 171 | 179.8 | -172.8 | 15.6 | 0 | 0 | 111.1 | S755 T795 F796 F797 L801 T802 V803 W845 | S755-Q799 PolarHBondContact O-NE2 2.97Å; S755-Q799 PolarHBondContact OG-OE1 3.21Å; T795-Q799 PolarHBondContact O-N 2.77Å; F796-Q799 WeakPolarHBondContact O-CA 3.24Å; F796-Q799 VanDerWaalsContact O-CB 3.3Å; F796-Q799 WeakPolarHBondContact O-CB 3.48Å; F796-Q799 PolarHBondContact O-N 3.09Å; F796-Q799 VanDerWaalsContact O-N 3.14Å; F797-Q799 VanDerWaalsContact C-N 3.3Å; F797-Q799 PolarHBondContact O-N 3.26Å; Q799-L801 VanDerWaalsContact C-N 3.29Å; Q799-L801 PolarHBondContact O-N 3.41Å; Q799-T802 CarbonylContact O-C 3.57Å; Q799-T802 WeakPolarHBondContact O-CA 3.35Å; Q799-T802 WeakPolarHBondContact O-CB 3.49Å; Q799-T802 PolarHBondContact O-N 2.81Å; Q799-V803 HydrophobicContact CG-CG2 3.78Å; Q799-V803 VanDerWaalsContact O-CG2 3.28Å; Q799-V803 WeakPolarHBondContact O-CG2 3.33Å; Q799-V803 PolarHBondContact O-N 3.32Å; Q799-W845 HydrophobicContact CB-CB 4.37Å; Q799-W845 HydrophobicContact CB-CD2 3.84Å; Q799-W845 HydrophobicContact CB-CE3 4Å; Q799-W845 HydrophobicContact CB-CG 4.03Å; Q799-W845 HydrophobicContact CG-CD2 3.76Å; Q799-W845 HydrophobicContact CG-CE3 3.85Å; Q799-W845 HydrophobicContact CG-CG 4.37Å; Q799-W845 HydrophobicContact CG-CH2 3.91Å; Q799-W845 HydrophobicContact CG-CZ2 3.8Å; Q799-W845 HydrophobicContact CG-CZ3 3.95Å |
| 800 | L | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.3 | -42.5 | 176.7 | -68.8 | 178.9 | 0 | 0 | 0 | 112.2 | A758 F766 Y770 L774 F796 F797 T802 V803 H804 | A758-L800 HydrophobicContact CB-CD2 3.81Å; F766-L800 HydrophobicContact CZ-CD2 4.45Å; Y770-L800 HydrophobicContact CE1-CD1 4.17Å; L774-L800 HydrophobicContact CD2-CD1 4.3Å; F796-L800 HydrophobicContact CD1-CD1 4.17Å; F796-L800 HydrophobicContact CD1-CG 4.46Å; F796-L800 HydrophobicContact CE1-CD1 3.6Å; F796-L800 HydrophobicContact CE1-CD2 4.4Å; F796-L800 HydrophobicContact CE1-CG 4.05Å; F796-L800 HydrophobicContact CE2-CD2 4.04Å; F796-L800 HydrophobicContact CE2-CG 4.2Å; F796-L800 HydrophobicContact CZ-CD1 3.87Å; F796-L800 HydrophobicContact CZ-CD2 3.8Å; F796-L800 HydrophobicContact CZ-CG 3.92Å; F796-L800 WeakPolarHBondContact O-CG 3.37Å; F796-L800 PolarHBondContact O-N 3.26Å; F797-L800 WeakPolarHBondContact O-CB 3.29Å; F797-L800 PolarHBondContact O-N 3.08Å; L800-T802 PolarHBondContact O-N 3.03Å; L800-V803 PolarHBondContact O-N 2.89Å; L800-H804 PolarHBondContact O-N 2.87Å |
| 801 | L | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -17.5 | 176 | -66.1 | 166.6 | 0 | 0 | 0 | 113.6 | F797 C798 Q799 L806 V809 F821 N852 L853 | F797-L801 HydrophobicContact CD1-CD1 3.73Å; F797-L801 HydrophobicContact CD1-CG 4.31Å; F797-L801 HydrophobicContact CE1-CD1 3.79Å; F797-L801 HydrophobicContact CE1-CD2 4.43Å; F797-L801 HydrophobicContact CE1-CG 4.25Å; F797-L801 VanDerWaalsContact O-CG 3.29Å; F797-L801 WeakPolarHBondContact O-CG 3.46Å; F797-L801 PolarHBondContact O-N 3.07Å; C798-L801 PolarHBondContact O-N 3.29Å; Q799-L801 VanDerWaalsContact C-N 3.29Å; Q799-L801 PolarHBondContact O-N 3.41Å; L801-L806 HydrophobicContact CD2-CD1 3.41Å; L801-L806 VanDerWaalsContact CD2-CD1 3.41Å; L801-V809 HydrophobicContact CD2-CB 4.2Å; L801-V809 HydrophobicContact CD2-CG1 3.91Å; L801-V809 HydrophobicContact CD2-CG2 4.49Å; L801-F821 HydrophobicContact CD2-CE2 4.35Å; L801-N852 PolarHBondContact O-ND2 3.09Å; L801-L853 HydrophobicContact CD1-CD1 3.64Å; L801-L853 HydrophobicContact CD1-CD2 3.93Å; L801-L853 HydrophobicContact CD1-CG 3.77Å; L801-L853 HydrophobicContact CD2-CD2 4.07Å |
| 802 | T | 93.7 | Very high | 95.9 | Very high | 24 Ų | 24 | 26.2 Ų | 26.2 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -95.5 | -43.9 | 177.5 | -53 | 0 | 0 | 0 | 0 | 111.6 | C798 Q799 L800 W845 L848 G849 I930 | C798-T802 PolarHBondContact O-N 3.38Å; C798-T802 PolarHBondContact O-OG1 2.79Å; Q799-T802 CarbonylContact O-C 3.57Å; Q799-T802 WeakPolarHBondContact O-CA 3.35Å; Q799-T802 WeakPolarHBondContact O-CB 3.49Å; Q799-T802 PolarHBondContact O-N 2.81Å; L800-T802 PolarHBondContact O-N 3.03Å; T802-W845 HydrophobicContact CG2-CE3 4.25Å; T802-W845 HydrophobicContact CG2-CZ3 3.83Å; T802-L848 HydrophobicContact CG2-CB 3.75Å; T802-L848 HydrophobicContact CG2-CD1 4.15Å; T802-L848 HydrophobicContact CG2-CG 4.42Å; T802-L848 WeakPolarHBondContact OG1-CB 3.36Å; T802-G849 PolarHBondContact OG1-N 3.01Å; T802-I930 HydrophobicContact CG2-CD1 4.34Å; T802-I930 HydrophobicContact CG2-CG2 4.5Å |
| 803 | V | 93.6 | Very high | 96 | Very high | 34 Ų | 34 | 24.7 Ų | 24.7 | 21% | 0.206 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -83.1 | -36.7 | -171.5 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | A758 Q799 L800 W845 I930 | A758-V803 VanDerWaalsContact O-CG1 3.29Å; A758-V803 WeakPolarHBondContact O-CG1 3.48Å; Q799-V803 HydrophobicContact CG-CG2 3.78Å; Q799-V803 VanDerWaalsContact O-CG2 3.28Å; Q799-V803 WeakPolarHBondContact O-CG2 3.33Å; Q799-V803 PolarHBondContact O-N 3.32Å; L800-V803 PolarHBondContact O-N 2.89Å; V803-W845 HydrophobicContact CG2-CH2 3.8Å; V803-W845 HydrophobicContact CG2-CZ3 3.93Å; V803-I930 HydrophobicContact CB-CD1 3.89Å; V803-I930 HydrophobicContact CG1-CD1 4.18Å; V803-I930 HydrophobicContact CG2-CD1 3.5Å |
| 804 | H | 94.9 | Very high | 96 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 7% | 0.069 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -107 | 160.8 | -180 | -57 | 156.1 | 0 | 0 | 0 | 110.2 | A758 Y763 F766 Y770 L800 L806 V809 | A758-H804 PolarHBondContact O-NE2 2.94Å; Y763-H804 HydrophobicContact CD2-CB 4.3Å; Y763-H804 AromaticContact CD2-CD2 3.94Å; Y763-H804 AromaticContact CD2-CG 3.91Å; Y763-H804 HydrophobicContact CE2-CB 4.38Å; F766-H804 AromaticContact CD1-CE1 3.56Å; F766-H804 AromaticContact CE1-CE1 3.65Å; Y770-H804 AromaticContact CE2-CE1 3.93Å; Y770-H804 AromaticContact CE2-ND1 3.25Å; Y770-H804 VanDerWaalsContact CE2-ND1 3.25Å; Y770-H804 WeakPolarHBondContact CE2-ND1 3.35Å; Y770-H804 AromaticContact CZ-ND1 3.66Å; Y770-H804 PolarHBondContact OH-ND1 3.37Å; L800-H804 PolarHBondContact O-N 2.87Å; H804-L806 PolarHBondContact O-N 3.45Å; H804-V809 HydrophobicContact CB-CG2 4.08Å |
| 805 | K | 94.3 | Very high | 95.9 | Very high | 156 Ų | 156 | 31.5 Ų | 31.5 | 68% | 0.678 | 16% | 0.163 | S | C | * | . | trans | -64 | 129.8 | 178.3 | -63.4 | 178.8 | 179.2 | 175.8 | 0 | 109.3 | A807 D808 V809 | K805-A807 PolarHBondContact O-N 3Å; K805-A807 VanDerWaalsContact O-N 3.13Å; K805-D808 HydrophobicContact CB-CB 4.38Å; K805-D808 WeakPolarHBondContact CB-OD2 3.25Å; K805-D808 WeakPolarHBondContact O-CA 3.4Å; K805-D808 WeakPolarHBondContact O-CB 3.42Å; K805-D808 PolarHBondContact O-N 3.39Å; K805-V809 PolarHBondContact O-N 2.83Å; K805-V809 VanDerWaalsContact O-N 3.15Å | ||
| 806 | L | 95.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 13% | 0.131 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -49.2 | -43.8 | -179.7 | 177.8 | 62.9 | 0 | 0 | 0 | 113.4 | L801 H804 D808 V809 I810 L853 D856 C857 | L801-L806 HydrophobicContact CD2-CD1 3.41Å; L801-L806 VanDerWaalsContact CD2-CD1 3.41Å; H804-L806 PolarHBondContact O-N 3.45Å; L806-D808 VanDerWaalsContact C-N 3.26Å; L806-D808 PolarHBondContact O-N 2.76Å; L806-V809 PolarHBondContact O-N 3.34Å; L806-I810 HydrophobicContact CD1-CD1 4.05Å; L806-I810 HydrophobicContact CD1-CG1 4.35Å; L806-I810 HydrophobicContact CG-CD1 3.92Å; L806-I810 WeakPolarHBondContact O-CG1 3.37Å; L806-I810 PolarHBondContact O-N 2.8Å; L806-L853 HydrophobicContact CD1-CD2 4.16Å; L806-D856 HydrophobicContact CD2-CB 4.06Å; L806-C857 HydrophobicContact CD2-CB 3.69Å |
| 807 | A | 95.2 | Very high | 95.6 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 52% | 0.521 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.2 | -32.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K805 R811 | K805-A807 PolarHBondContact O-N 3Å; K805-A807 VanDerWaalsContact O-N 3.13Å; A807-R811 WeakPolarHBondContact O-CB 3.29Å; A807-R811 PolarHBondContact O-N 3.08Å; A807-R811 VanDerWaalsContact O-N 3.1Å |
| 808 | D | 95.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.7 | -43.5 | 177.3 | -65.2 | -28.3 | 0 | 0 | 0 | 110.7 | Y763 K805 L806 I810 R811 H812 | Y763-D808 HydrophobicContact CE2-CB 4.29Å; Y763-D808 VanDerWaalsContact OH-CB 3.32Å; Y763-D808 WeakPolarHBondContact OH-CB 3.27Å; K805-D808 HydrophobicContact CB-CB 4.38Å; K805-D808 WeakPolarHBondContact CB-OD2 3.25Å; K805-D808 WeakPolarHBondContact O-CA 3.4Å; K805-D808 WeakPolarHBondContact O-CB 3.42Å; K805-D808 PolarHBondContact O-N 3.39Å; L806-D808 VanDerWaalsContact C-N 3.26Å; L806-D808 PolarHBondContact O-N 2.76Å; D808-I810 PolarHBondContact O-N 3.18Å; D808-R811 PolarHBondContact O-N 3.32Å; D808-R811 IonicContact OD1-CZ 3.15Å; D808-R811 IonicContact OD1-NH1 2.69Å; D808-R811 PolarHBondContact OD1-NH1 3Å; D808-R811 IonicContact OD1-NH2 2.74Å; D808-R811 PolarHBondContact OD1-NH2 2.77Å; D808-H812 PolarHBondContact O-CD2 3.33Å; D808-H812 PolarHBondContact O-N 3.11Å |
| 809 | V | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 175.8 | -173.1 | 0 | 0 | 0 | 0 | 110.7 | F797 L801 H804 K805 L806 R811 H812 V813 | F797-V809 HydrophobicContact CE2-CG1 4.42Å; F797-V809 HydrophobicContact CZ-CG1 4.37Å; L801-V809 HydrophobicContact CD2-CB 4.2Å; L801-V809 HydrophobicContact CD2-CG1 3.91Å; L801-V809 HydrophobicContact CD2-CG2 4.49Å; H804-V809 HydrophobicContact CB-CG2 4.08Å; K805-V809 PolarHBondContact O-N 2.83Å; K805-V809 VanDerWaalsContact O-N 3.15Å; L806-V809 PolarHBondContact O-N 3.34Å; V809-R811 VanDerWaalsContact C-N 3.35Å; V809-R811 PolarHBondContact O-N 3.13Å; V809-H812 PolarHBondContact O-N 2.94Å; V809-V813 WeakPolarHBondContact O-CG2 3.16Å; V809-V813 PolarHBondContact O-N 2.75Å; V809-V813 VanDerWaalsContact O-N 3.08Å |
| 810 | I | 96.4 | Very high | 95.2 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 177 | -66.2 | 165.7 | 0 | 0 | 0 | 110.1 | L806 D808 H812 V813 E814 F821 L859 | L806-I810 HydrophobicContact CD1-CD1 4.05Å; L806-I810 HydrophobicContact CD1-CG1 4.35Å; L806-I810 HydrophobicContact CG-CD1 3.92Å; L806-I810 WeakPolarHBondContact O-CG1 3.37Å; L806-I810 PolarHBondContact O-N 2.8Å; D808-I810 PolarHBondContact O-N 3.18Å; I810-H812 VanDerWaalsContact C-N 3.32Å; I810-H812 PolarHBondContact O-N 2.93Å; I810-V813 PolarHBondContact O-N 3.18Å; I810-E814 HydrophobicContact CG2-CG 4.06Å; I810-E814 WeakPolarHBondContact O-CB 3.27Å; I810-E814 VanDerWaalsContact O-CG 3.25Å; I810-E814 WeakPolarHBondContact O-CG 3.49Å; I810-E814 PolarHBondContact O-N 3.44Å; I810-F821 HydrophobicContact CD1-CE1 4.21Å; I810-F821 HydrophobicContact CD1-CZ 4.2Å; I810-F821 HydrophobicContact CG1-CD1 4.18Å; I810-F821 HydrophobicContact CG1-CD2 3.99Å; I810-F821 HydrophobicContact CG1-CE1 3.89Å; I810-F821 HydrophobicContact CG1-CE2 3.7Å; I810-F821 HydrophobicContact CG1-CG 4.22Å; I810-F821 HydrophobicContact CG1-CZ 3.64Å; I810-F821 HydrophobicContact CG2-CG 4.46Å; I810-L859 HydrophobicContact CD1-CD1 4.17Å; I810-L859 HydrophobicContact CG2-CD1 4.02Å |
| 811 | R | 96.5 | Very high | 95.2 | Very high | 124 Ų | 124 | 51.1 Ų | 51.1 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | -179.5 | -167.8 | -169 | -49.3 | 114.4 | 8.9 | 111.9 | A807 D808 V809 E814 T815 | A807-R811 WeakPolarHBondContact O-CB 3.29Å; A807-R811 PolarHBondContact O-N 3.08Å; A807-R811 VanDerWaalsContact O-N 3.1Å; D808-R811 PolarHBondContact O-N 3.32Å; D808-R811 IonicContact OD1-CZ 3.15Å; D808-R811 IonicContact OD1-NH1 2.69Å; D808-R811 PolarHBondContact OD1-NH1 3Å; D808-R811 IonicContact OD1-NH2 2.74Å; D808-R811 PolarHBondContact OD1-NH2 2.77Å; V809-R811 VanDerWaalsContact C-N 3.35Å; V809-R811 PolarHBondContact O-N 3.13Å; R811-E814 PolarHBondContact O-N 3.41Å; R811-T815 WeakPolarHBondContact O-CB 3.37Å; R811-T815 PolarHBondContact O-N 3.3Å; R811-T815 PolarHBondContact O-OG1 3.18Å |
| 812 | H | 97.2 | Very high | 95.2 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 179.5 | -79.2 | -64.7 | 0 | 0 | 0 | 112.6 | Y763 Y770 N771 L774 D808 V809 I810 T815 | Y763-H812 PolarHBondContact OH-NE2 3.25Å; Y770-H812 HydrophobicContact CD1-CB 3.7Å; Y770-H812 AromaticContact CD1-CG 3.78Å; Y770-H812 AromaticContact CD2-CD2 3.58Å; Y770-H812 AromaticContact CD2-NE2 3.82Å; Y770-H812 HydrophobicContact CE1-CB 4.04Å; Y770-H812 AromaticContact CE2-CD2 3.97Å; Y770-H812 HydrophobicContact CG-CB 4.14Å; Y770-H812 AromaticContact CG-CD2 3.65Å; Y770-H812 AromaticContact CG-CG 3.67Å; Y770-H812 AromaticContact CG-ND1 3.98Å; Y770-H812 AromaticContact CG-NE2 3.99Å; N771-H812 PolarHBondContact OD1-ND1 3.17Å; N771-H812 PolarHBondContact OD1-O 3.19Å; L774-H812 HydrophobicContact CD1-CB 4.14Å; D808-H812 PolarHBondContact O-CD2 3.33Å; D808-H812 PolarHBondContact O-N 3.11Å; V809-H812 PolarHBondContact O-N 2.94Å; I810-H812 VanDerWaalsContact C-N 3.32Å; I810-H812 PolarHBondContact O-N 2.93Å; H812-T815 PolarHBondContact O-N 2.92Å |
| 813 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | L774 F797 V809 I810 T815 I816 Q817 L820 F821 V824 | L774-V813 HydrophobicContact CD1-CG2 3.84Å; F797-V813 HydrophobicContact CE2-CG2 3.91Å; F797-V813 HydrophobicContact CZ-CG2 4.15Å; V809-V813 WeakPolarHBondContact O-CG2 3.16Å; V809-V813 PolarHBondContact O-N 2.75Å; V809-V813 VanDerWaalsContact O-N 3.08Å; I810-V813 PolarHBondContact O-N 3.18Å; V813-T815 VanDerWaalsContact C-N 3.29Å; V813-T815 PolarHBondContact O-N 3.14Å; V813-I816 WeakPolarHBondContact O-CB 3.25Å; V813-I816 PolarHBondContact O-N 3.06Å; V813-Q817 PolarHBondContact O-N 3.16Å; V813-L820 HydrophobicContact CG1-CB 3.94Å; V813-L820 HydrophobicContact CG1-CD2 4.01Å; V813-L820 HydrophobicContact CG1-CG 3.8Å; V813-F821 HydrophobicContact CB-CD2 4.4Å; V813-F821 HydrophobicContact CG1-CB 4.03Å; V813-F821 HydrophobicContact CG1-CD2 4.43Å; V813-F821 HydrophobicContact CG2-CD2 4.48Å; V813-V824 HydrophobicContact CG1-CG2 4.27Å |
| 814 | E | 96.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.5 | -25.3 | 180 | -69.1 | -65.6 | 142.6 | 0 | 0 | 113.2 | I810 R811 I816 Q817 Q818 N819 L820 F821 | I810-E814 HydrophobicContact CG2-CG 4.06Å; I810-E814 WeakPolarHBondContact O-CB 3.27Å; I810-E814 VanDerWaalsContact O-CG 3.25Å; I810-E814 WeakPolarHBondContact O-CG 3.49Å; I810-E814 PolarHBondContact O-N 3.44Å; R811-E814 PolarHBondContact O-N 3.41Å; E814-I816 VanDerWaalsContact C-N 3.26Å; E814-I816 PolarHBondContact O-N 3.37Å; E814-Q817 CarbonylContact O-C 3.34Å; E814-Q817 PolarHBondContact O-N 3.01Å; E814-Q818 WeakPolarHBondContact OE2-CA 3.49Å; E814-N819 WeakPolarHBondContact OE1-CA 3.16Å; E814-N819 WeakPolarHBondContact OE2-CA 3.3Å; E814-N819 PolarHBondContact OE2-N 3.11Å; E814-L820 PolarHBondContact OE1-N 2.78Å; E814-F821 HydrophobicContact CG-CB 4.35Å; E814-F821 WeakPolarHBondContact OE1-CB 3.48Å; E814-F821 PolarHBondContact OE1-N 3.43Å |
| 815 | T | 95.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.5 | -29.8 | 173.9 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | R811 H812 V813 | R811-T815 WeakPolarHBondContact O-CB 3.37Å; R811-T815 PolarHBondContact O-N 3.3Å; R811-T815 PolarHBondContact O-OG1 3.18Å; H812-T815 PolarHBondContact O-N 2.92Å; V813-T815 VanDerWaalsContact C-N 3.29Å; V813-T815 PolarHBondContact O-N 3.14Å |
| 816 | I | 94 | Very high | 95.5 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 30% | 0.303 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.1 | -46.9 | 177.4 | -65.8 | 168.2 | 0 | 0 | 0 | 110.1 | L774 F778 V813 E814 L820 | L774-I816 HydrophobicContact CB-CD1 3.51Å; L774-I816 HydrophobicContact CD1-CD1 4.06Å; L774-I816 HydrophobicContact CG-CD1 4.47Å; F778-I816 HydrophobicContact CD2-CD1 4.12Å; F778-I816 HydrophobicContact CE2-CD1 3.85Å; V813-I816 WeakPolarHBondContact O-CB 3.25Å; V813-I816 PolarHBondContact O-N 3.06Å; E814-I816 VanDerWaalsContact C-N 3.26Å; E814-I816 PolarHBondContact O-N 3.37Å; I816-L820 HydrophobicContact CB-CD2 4.13Å; I816-L820 HydrophobicContact CG2-CD2 3.98Å |
| 817 | Q | 93.1 | Very high | 95.5 | Very high | 105 Ų | 105 | 52.6 Ų | 52.6 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -156.7 | 137.3 | 176.1 | 176.4 | -177.6 | -9.6 | 0 | 0 | 110.1 | V813 E814 N819 L820 | V813-Q817 PolarHBondContact O-N 3.16Å; E814-Q817 CarbonylContact O-C 3.34Å; E814-Q817 PolarHBondContact O-N 3.01Å; Q817-N819 PolarHBondContact O-N 3.48Å; Q817-L820 HydrophobicContact CB-CB 4.04Å; Q817-L820 HydrophobicContact CB-CD2 4.18Å; Q817-L820 WeakPolarHBondContact O-CB 3.4Å; Q817-L820 PolarHBondContact O-N 3.21Å; Q817-L820 VanDerWaalsContact O-N 3.15Å |
| 818 | Q | 93.9 | Very high | 95.4 | Very high | 154 Ų | 154 | 51 Ų | 51 | 72% | 0.72 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 136.5 | 177.3 | -166.9 | -177.7 | 17 | 0 | 0 | 111.6 | E814 L820 | E814-Q818 WeakPolarHBondContact OE2-CA 3.49Å; Q818-L820 PolarHBondContact O-N 2.83Å |
| 819 | N | 92.1 | Very high | 95.4 | Very high | 90 Ų | 90 | 50 Ų | 50 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 13.7 | -174 | -55.6 | -59.8 | 0 | 0 | 0 | 115 | E814 Q817 F821 G822 | E814-N819 WeakPolarHBondContact OE1-CA 3.16Å; E814-N819 WeakPolarHBondContact OE2-CA 3.3Å; E814-N819 PolarHBondContact OE2-N 3.11Å; Q817-N819 PolarHBondContact O-N 3.48Å; N819-F821 PolarHBondContact O-N 2.82Å; N819-G822 PolarHBondContact O-N 3.07Å |
| 820 | L | 94.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -30.6 | -180 | -177.9 | 61.2 | 0 | 0 | 0 | 112.1 | F778 V813 E814 I816 Q817 Q818 G822 I823 V824 | F778-L820 HydrophobicContact CD2-CD2 4.1Å; F778-L820 HydrophobicContact CE2-CD2 3.7Å; F778-L820 HydrophobicContact CZ-CD2 4.23Å; V813-L820 HydrophobicContact CG1-CB 3.94Å; V813-L820 HydrophobicContact CG1-CD2 4.01Å; V813-L820 HydrophobicContact CG1-CG 3.8Å; E814-L820 PolarHBondContact OE1-N 2.78Å; I816-L820 HydrophobicContact CB-CD2 4.13Å; I816-L820 HydrophobicContact CG2-CD2 3.98Å; Q817-L820 HydrophobicContact CB-CB 4.04Å; Q817-L820 HydrophobicContact CB-CD2 4.18Å; Q817-L820 WeakPolarHBondContact O-CB 3.4Å; Q817-L820 PolarHBondContact O-N 3.21Å; Q817-L820 VanDerWaalsContact O-N 3.15Å; Q818-L820 PolarHBondContact O-N 2.83Å; L820-G822 VanDerWaalsContact C-N 3.33Å; L820-G822 PolarHBondContact O-N 2.91Å; L820-I823 HydrophobicContact CD1-CB 4.38Å; L820-I823 WeakPolarHBondContact O-CB 2.93Å; L820-I823 PolarHBondContact O-N 3.32Å; L820-I823 VanDerWaalsContact O-N 3.12Å; L820-V824 HydrophobicContact CD1-CG2 4.21Å; L820-V824 HydrophobicContact CG-CG2 4.03Å; L820-V824 VanDerWaalsContact O-CG2 3.31Å; L820-V824 WeakPolarHBondContact O-CG2 3.42Å; L820-V824 PolarHBondContact O-N 2.82Å |
| 821 | F | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | -178.4 | -176.3 | -105.7 | 0 | 0 | 0 | 112 | F797 L801 I810 V813 E814 N819 I823 V824 L825 L853 L859 L865 | F797-F821 HydrophobicContact CE1-CE2 4.1Å; F797-F821 HydrophobicContact CZ-CD2 4.11Å; F797-F821 AromaticContact CZ-CE2 3.89Å; F797-F821 HydrophobicContact CZ-CE2 3.89Å; L801-F821 HydrophobicContact CD2-CE2 4.35Å; I810-F821 HydrophobicContact CD1-CE1 4.21Å; I810-F821 HydrophobicContact CD1-CZ 4.2Å; I810-F821 HydrophobicContact CG1-CD1 4.18Å; I810-F821 HydrophobicContact CG1-CD2 3.99Å; I810-F821 HydrophobicContact CG1-CE1 3.89Å; I810-F821 HydrophobicContact CG1-CE2 3.7Å; I810-F821 HydrophobicContact CG1-CG 4.22Å; I810-F821 HydrophobicContact CG1-CZ 3.64Å; I810-F821 HydrophobicContact CG2-CG 4.46Å; V813-F821 HydrophobicContact CB-CD2 4.4Å; V813-F821 HydrophobicContact CG1-CB 4.03Å; V813-F821 HydrophobicContact CG1-CD2 4.43Å; V813-F821 HydrophobicContact CG2-CD2 4.48Å; E814-F821 HydrophobicContact CG-CB 4.35Å; E814-F821 WeakPolarHBondContact OE1-CB 3.48Å; E814-F821 PolarHBondContact OE1-N 3.43Å; N819-F821 PolarHBondContact O-N 2.82Å; F821-I823 PolarHBondContact O-N 3.01Å; F821-V824 PolarHBondContact O-N 3Å; F821-L825 HydrophobicContact CD1-CD1 4.13Å; F821-L825 HydrophobicContact CE1-CD1 3.59Å; F821-L825 HydrophobicContact CE1-CG 4.3Å; F821-L825 HydrophobicContact CZ-CD1 3.95Å; F821-L825 HydrophobicContact CZ-CD2 4.46Å; F821-L825 HydrophobicContact CZ-CG 4.35Å; F821-L825 WeakPolarHBondContact O-CG 3.17Å; F821-L825 PolarHBondContact O-N 3.42Å; F821-L825 VanDerWaalsContact O-N 3.09Å; F821-L853 HydrophobicContact CE1-CD2 4.47Å; F821-L853 HydrophobicContact CZ-CD2 3.77Å; F821-L859 HydrophobicContact CD1-CD1 4.16Å; F821-L859 HydrophobicContact CE1-CD1 4.47Å; F821-L865 HydrophobicContact CD1-CD1 3.78Å; F821-L865 HydrophobicContact CE1-CD1 4.24Å |
| 822 | G | 95.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N819 L820 V824 L825 E826 | N819-G822 PolarHBondContact O-N 3.07Å; L820-G822 VanDerWaalsContact C-N 3.33Å; L820-G822 PolarHBondContact O-N 2.91Å; G822-V824 PolarHBondContact O-N 3.49Å; G822-L825 PolarHBondContact O-N 2.97Å; G822-E826 WeakPolarHBondContact O-CB 3.39Å; G822-E826 PolarHBondContact O-N 3.19Å |
| 823 | I | 94.8 | Very high | 94.7 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 40% | 0.395 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 178.1 | -60.7 | 172.3 | 0 | 0 | 0 | 110.9 | L820 F821 E826 K827 | L820-I823 HydrophobicContact CD1-CB 4.38Å; L820-I823 WeakPolarHBondContact O-CB 2.93Å; L820-I823 PolarHBondContact O-N 3.32Å; L820-I823 VanDerWaalsContact O-N 3.12Å; F821-I823 PolarHBondContact O-N 3.01Å; I823-E826 PolarHBondContact O-N 2.92Å; I823-K827 HydrophobicContact CG2-CG 4.13Å; I823-K827 VanDerWaalsContact O-CB 3.32Å; I823-K827 WeakPolarHBondContact O-CB 3.11Å; I823-K827 PolarHBondContact O-N 3.37Å |
| 824 | V | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | F778 F793 F797 V813 L820 F821 G822 L828 I829 | F778-V824 HydrophobicContact CE1-CG2 3.68Å; F778-V824 HydrophobicContact CZ-CG2 3.76Å; F793-V824 HydrophobicContact CE1-CG1 4.07Å; F793-V824 HydrophobicContact CZ-CG1 4.1Å; F797-V824 HydrophobicContact CD1-CG1 4.28Å; F797-V824 HydrophobicContact CD2-CG1 4.28Å; F797-V824 HydrophobicContact CE1-CG1 3.93Å; F797-V824 HydrophobicContact CE2-CG1 3.94Å; F797-V824 HydrophobicContact CG-CG1 4.44Å; F797-V824 HydrophobicContact CZ-CG1 3.75Å; V813-V824 HydrophobicContact CG1-CG2 4.27Å; L820-V824 HydrophobicContact CD1-CG2 4.21Å; L820-V824 HydrophobicContact CG-CG2 4.03Å; L820-V824 VanDerWaalsContact O-CG2 3.31Å; L820-V824 WeakPolarHBondContact O-CG2 3.42Å; L820-V824 PolarHBondContact O-N 2.82Å; F821-V824 PolarHBondContact O-N 3Å; G822-V824 PolarHBondContact O-N 3.49Å; V824-L828 HydrophobicContact CB-CD1 4.41Å; V824-L828 HydrophobicContact CG1-CB 4.49Å; V824-L828 HydrophobicContact CG1-CD1 4.26Å; V824-L828 HydrophobicContact CG2-CD1 4.16Å; V824-L828 WeakPolarHBondContact O-CA 3.44Å; V824-L828 VanDerWaalsContact O-CB 3.25Å; V824-L828 WeakPolarHBondContact O-CB 3.33Å; V824-L828 PolarHBondContact O-N 3.39Å; V824-I829 HydrophobicContact CG1-CD1 4.39Å; V824-I829 HydrophobicContact CG1-CG1 4.14Å; V824-I829 PolarHBondContact O-N 2.84Å |
| 825 | L | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -60.8 | -50.1 | 178.3 | -65.9 | -176.9 | 0 | 0 | 0 | 111.8 | F797 F821 G822 I829 I830 L853 V860 L865 L868 | F797-L825 HydrophobicContact CE1-CD2 4.14Å; F821-L825 HydrophobicContact CD1-CD1 4.13Å; F821-L825 HydrophobicContact CE1-CD1 3.59Å; F821-L825 HydrophobicContact CE1-CG 4.3Å; F821-L825 HydrophobicContact CZ-CD1 3.95Å; F821-L825 HydrophobicContact CZ-CD2 4.46Å; F821-L825 HydrophobicContact CZ-CG 4.35Å; F821-L825 WeakPolarHBondContact O-CG 3.17Å; F821-L825 PolarHBondContact O-N 3.42Å; F821-L825 VanDerWaalsContact O-N 3.09Å; G822-L825 PolarHBondContact O-N 2.97Å; L825-I829 HydrophobicContact CD2-CB 4.46Å; L825-I829 HydrophobicContact CD2-CG1 4.1Å; L825-I829 PolarHBondContact O-N 3.45Å; L825-I830 WeakPolarHBondContact O-CB 3.3Å; L825-I830 WeakPolarHBondContact O-CG1 3.35Å; L825-I830 PolarHBondContact O-N 3.32Å; L825-L853 HydrophobicContact CD1-CD2 4.43Å; L825-L853 HydrophobicContact CD2-CD1 3.72Å; L825-L853 HydrophobicContact CD2-CD2 4.37Å; L825-V860 HydrophobicContact CD1-CG2 4.14Å; L825-L865 HydrophobicContact CD1-CD1 4.46Å; L825-L868 HydrophobicContact CB-CD1 3.89Å; L825-L868 HydrophobicContact CD1-CD1 4.42Å |
| 826 | E | 95.9 | Very high | 92.9 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -68.9 | -44.8 | -175.2 | -164.9 | -163.3 | 153.4 | 0 | 0 | 113 | G822 I823 P831 L868 | G822-E826 WeakPolarHBondContact O-CB 3.39Å; G822-E826 PolarHBondContact O-N 3.19Å; I823-E826 PolarHBondContact O-N 2.92Å; E826-P831 WeakPolarHBondContact O-CD 3.49Å; E826-L868 HydrophobicContact CB-CD1 4.35Å; E826-L868 HydrophobicContact CB-CD2 4.1Å; E826-L868 HydrophobicContact CG-CD2 3.98Å |
| 827 | K | 93.6 | Very high | 92.4 | Very high | 111 Ų | 111 | 49.6 Ų | 49.6 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -101.2 | -21.3 | -169.3 | -55.5 | -54.9 | -171.4 | -162.1 | 0 | 114.2 | I823 | I823-K827 HydrophobicContact CG2-CG 4.13Å; I823-K827 VanDerWaalsContact O-CB 3.32Å; I823-K827 WeakPolarHBondContact O-CB 3.11Å; I823-K827 PolarHBondContact O-N 3.37Å |
| 828 | L | 93.9 | Very high | 91.7 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -115.1 | -37.8 | -175.1 | -54.7 | 175.4 | 0 | 0 | 0 | 113.2 | F778 L781 F793 V824 Q832 | F778-L828 HydrophobicContact CD1-CD1 4.35Å; F778-L828 HydrophobicContact CE1-CD1 4.28Å; L781-L828 HydrophobicContact CD1-CD1 3.82Å; L781-L828 HydrophobicContact CD1-CD2 4.22Å; F793-L828 HydrophobicContact CD1-CB 4.18Å; F793-L828 HydrophobicContact CE1-CB 3.84Å; F793-L828 HydrophobicContact CE1-CD1 3.86Å; F793-L828 HydrophobicContact CE1-CG 4.49Å; F793-L828 HydrophobicContact CZ-CD1 4.27Å; V824-L828 HydrophobicContact CB-CD1 4.41Å; V824-L828 HydrophobicContact CG1-CB 4.49Å; V824-L828 HydrophobicContact CG1-CD1 4.26Å; V824-L828 HydrophobicContact CG2-CD1 4.16Å; V824-L828 WeakPolarHBondContact O-CA 3.44Å; V824-L828 VanDerWaalsContact O-CB 3.25Å; V824-L828 WeakPolarHBondContact O-CB 3.33Å; V824-L828 PolarHBondContact O-N 3.39Å; L828-Q832 WeakPolarHBondContact O-CG 3.45Å |
| 829 | I | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -89.6 | -60.3 | -177.2 | -51.9 | -54.7 | 0 | 0 | 0 | 111.7 | F793 A794 F797 V824 L825 P831 Q832 L833 | F793-I829 HydrophobicContact CD1-CD1 4.27Å; F793-I829 HydrophobicContact CE1-CD1 3.89Å; A794-I829 HydrophobicContact CB-CD1 4.01Å; F797-I829 HydrophobicContact CB-CD1 3.73Å; F797-I829 HydrophobicContact CD1-CD1 3.71Å; F797-I829 HydrophobicContact CD1-CG1 3.94Å; F797-I829 HydrophobicContact CE1-CG1 4.46Å; F797-I829 HydrophobicContact CG-CD1 3.92Å; V824-I829 HydrophobicContact CG1-CD1 4.39Å; V824-I829 HydrophobicContact CG1-CG1 4.14Å; V824-I829 PolarHBondContact O-N 2.84Å; L825-I829 HydrophobicContact CD2-CB 4.46Å; L825-I829 HydrophobicContact CD2-CG1 4.1Å; L825-I829 PolarHBondContact O-N 3.45Å; I829-P831 VanDerWaalsContact C-CD 3.47Å; I829-P831 VanDerWaalsContact C-N 3.34Å; I829-Q832 WeakPolarHBondContact O-CB 3.47Å; I829-Q832 PolarHBondContact O-N 2.99Å; I829-L833 HydrophobicContact CG2-CD2 4.07Å; I829-L833 HydrophobicContact CG2-CG 4.46Å; I829-L833 WeakPolarHBondContact O-CG 3.42Å |
| 830 | I | 95.9 | Very high | 90.9 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.185 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -51 | -45.1 | -175.8 | -75.7 | 163.6 | 0 | 0 | 0 | 112.8 | L825 Q832 L833 L868 P871 L872 | L825-I830 WeakPolarHBondContact O-CB 3.3Å; L825-I830 WeakPolarHBondContact O-CG1 3.35Å; L825-I830 PolarHBondContact O-N 3.32Å; I830-Q832 PolarHBondContact O-N 3.39Å; I830-Q832 VanDerWaalsContact O-N 3.08Å; I830-L833 HydrophobicContact CG1-CD1 4.39Å; I830-L833 PolarHBondContact O-N 3.25Å; I830-L833 VanDerWaalsContact O-N 3.11Å; I830-L868 HydrophobicContact CD1-CB 4.28Å; I830-L868 HydrophobicContact CD1-CD2 4Å; I830-P871 HydrophobicContact CD1-CB 3.76Å; I830-P871 HydrophobicContact CD1-CG 4.45Å; I830-P871 HydrophobicContact CG1-CB 4.1Å; I830-P871 HydrophobicContact CG2-CB 3.93Å; I830-L872 HydrophobicContact CD1-CD2 4.25Å; I830-L872 HydrophobicContact CD1-CG 4.21Å; I830-L872 HydrophobicContact CG1-CD2 3.8Å; I830-L872 HydrophobicContact CG1-CG 4.2Å |
| 831 | P | 93.9 | Very high | 90.4 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -62.8 | -17.4 | 179.2 | -25.5 | 37.3 | 0 | 0 | 0 | 114.8 | E826 I829 | E826-P831 WeakPolarHBondContact O-CD 3.49Å; I829-P831 VanDerWaalsContact C-CD 3.47Å; I829-P831 VanDerWaalsContact C-N 3.34Å |
| 832 | Q | 92.9 | Very high | 90.1 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -95.9 | -8.4 | 179.7 | -55.9 | -55.2 | -46.2 | 0 | 0 | 113.2 | A790 A794 L828 I829 I830 K835 R846 | A790-Q832 HydrophobicContact CB-CG 4.26Å; A794-Q832 HydrophobicContact CB-CB 3.77Å; A794-Q832 HydrophobicContact CB-CG 3.96Å; L828-Q832 WeakPolarHBondContact O-CG 3.45Å; I829-Q832 WeakPolarHBondContact O-CB 3.47Å; I829-Q832 PolarHBondContact O-N 2.99Å; I830-Q832 PolarHBondContact O-N 3.39Å; I830-Q832 VanDerWaalsContact O-N 3.08Å; Q832-K835 PolarHBondContact O-N 3.17Å; Q832-R846 PolarHBondContact O-NH1 3.3Å |
| 833 | L | 88.6 | Confident | 89.8 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -20.9 | -175 | -58 | -175.2 | 0 | 0 | 0 | 113.9 | I829 I830 K835 L850 L872 S878 | I829-L833 HydrophobicContact CG2-CD2 4.07Å; I829-L833 HydrophobicContact CG2-CG 4.46Å; I829-L833 WeakPolarHBondContact O-CG 3.42Å; I830-L833 HydrophobicContact CG1-CD1 4.39Å; I830-L833 PolarHBondContact O-N 3.25Å; I830-L833 VanDerWaalsContact O-N 3.11Å; L833-K835 PolarHBondContact O-N 2.68Å; L833-L850 HydrophobicContact CD1-CD1 4.17Å; L833-L850 HydrophobicContact CD1-CD2 3.77Å; L833-L850 HydrophobicContact CD2-CD1 3.92Å; L833-L850 HydrophobicContact CD2-CD2 4.22Å; L833-L850 HydrophobicContact CD2-CG 4.5Å; L833-L872 HydrophobicContact CD1-CD2 4.08Å; L833-S878 PolarHBondContact O-OG 3.37Å |
| 834 | S | 83.5 | Confident | 89.5 | Confident | 97 Ų | 97 | 50.8 Ų | 50.8 | 68% | 0.678 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -16.7 | 172 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 835 | K | 84.8 | Confident | 89.3 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -99 | 116.3 | -177.2 | -58.3 | -175.6 | -178.8 | -175.4 | 0 | 109.9 | E787 Q832 L833 P837 R846 | E787-K835 IonicContact OE1-NZ 3.26Å; E787-K835 PolarHBondContact OE1-NZ 3.42Å; E787-K835 IonicContact OE2-NZ 2.69Å; E787-K835 PolarHBondContact OE2-NZ 3.43Å; Q832-K835 PolarHBondContact O-N 3.17Å; L833-K835 PolarHBondContact O-N 2.68Å; K835-P837 WeakPolarHBondContact O-CD 3.36Å; K835-R846 PolarHBondContact O-NH1 3.45Å |
| 836 | T | 83 | Confident | 89.1 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 36% | 0.362 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 124.7 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | T882 | T836-T882 PolarHBondContact OG1-OG1 3.45Š|
| 837 | P | 84.1 | Confident | 89 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 13% | 0.13 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 141.8 | 173.5 | -21.7 | 33.7 | 0 | 0 | 0 | 111.5 | K835 K839 D842 R843 | K835-P837 WeakPolarHBondContact O-CD 3.36Å; P837-K839 VanDerWaalsContact C-N 3.34Å; P837-D842 HydrophobicContact CB-CB 3.65Å; P837-D842 HydrophobicContact CG-CB 4.17Å; P837-R843 HydrophobicContact CB-CB 4.46Å; P837-R843 HydrophobicContact CG-CB 4.32Å |
| 838 | S | 78.8 | Confident | 88.9 | Confident | 120 Ų | 120 | 43 Ų | 43 | 84% | 0.839 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -69.1 | -32.8 | 173.1 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 839 | K | 84 | Confident | 88.9 | Confident | 100 Ų | 100 | 41.7 Ų | 41.7 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -82.9 | 125.9 | 179.5 | -65.1 | -177.5 | -176.6 | 176.7 | 0 | 110.9 | P837 L841 D842 R843 | P837-K839 VanDerWaalsContact C-N 3.34Å; K839-L841 PolarHBondContact O-N 3.4Å; K839-D842 HydrophobicContact CB-CB 4.16Å; K839-D842 PolarHBondContact O-N 3Å; K839-D842 VanDerWaalsContact O-N 3.08Å; K839-R843 PolarHBondContact O-N 2.96Å; K839-R843 VanDerWaalsContact O-N 3.16Å |
| 840 | P | 83.8 | Confident | 88.9 | Confident | 70 Ų | 70 | 41.7 Ų | 41.7 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.5 | -36.1 | 177 | -28.1 | 35.3 | 0 | 0 | 0 | 113.6 | R843 R844 | P840-R843 PolarHBondContact O-N 2.71Å; P840-R844 WeakPolarHBondContact O-CG 3.48Å; P840-R844 PolarHBondContact O-N 3.05Å |
| 841 | L | 85.4 | Confident | 88.8 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.8 | -175.4 | 61.4 | 0 | 0 | 0 | 112.5 | K839 R843 R844 W845 Y932 | K839-L841 PolarHBondContact O-N 3.4Å; L841-R843 VanDerWaalsContact C-N 3.33Å; L841-R843 PolarHBondContact O-N 3.34Å; L841-R844 WeakPolarHBondContact O-CB 3.44Å; L841-R844 PolarHBondContact O-N 3.36Å; L841-W845 VanDerWaalsContact O-CD1 3.3Å; L841-W845 PolarHBondContact O-N 2.96Å; L841-Y932 HydrophobicContact CD1-CD2 4.45Å; L841-Y932 HydrophobicContact CD1-CE2 3.94Å |
| 842 | D | 89.8 | Confident | 88.7 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -38.6 | 179 | -66.7 | -8.9 | 0 | 0 | 0 | 111.1 | T795 P837 K839 R844 W845 R846 | T795-D842 HydrophobicContact CG2-CB 3.71Å; P837-D842 HydrophobicContact CB-CB 3.65Å; P837-D842 HydrophobicContact CG-CB 4.17Å; K839-D842 HydrophobicContact CB-CB 4.16Å; K839-D842 PolarHBondContact O-N 3Å; K839-D842 VanDerWaalsContact O-N 3.08Å; D842-R844 VanDerWaalsContact C-N 3.32Å; D842-R844 PolarHBondContact O-N 3.2Å; D842-W845 PolarHBondContact O-N 3.36Å; D842-R846 WeakPolarHBondContact O-CG 3.22Å; D842-R846 PolarHBondContact O-N 3.15Å |
| 843 | R | 89.8 | Confident | 88.9 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 172.9 | -171.6 | -178.7 | 176.7 | 175.3 | 2.7 | 111 | P837 K839 P840 L841 R846 V847 L879 T882 L936 | P837-R843 HydrophobicContact CB-CB 4.46Å; P837-R843 HydrophobicContact CG-CB 4.32Å; K839-R843 PolarHBondContact O-N 2.96Å; K839-R843 VanDerWaalsContact O-N 3.16Å; P840-R843 PolarHBondContact O-N 2.71Å; L841-R843 VanDerWaalsContact C-N 3.33Å; L841-R843 PolarHBondContact O-N 3.34Å; R843-R846 PolarHBondContact O-N 3.02Å; R843-V847 WeakPolarHBondContact O-CG2 3.39Å; R843-V847 PolarHBondContact O-N 3.04Å; R843-V847 VanDerWaalsContact O-N 3.17Å; R843-L879 HydrophobicContact CG-CD2 4.45Å; R843-L879 PolarHBondContact NE-O 2.94Å; R843-L879 PolarHBondContact NH2-O 2.92Å; R843-T882 PolarHBondContact NH2-O 3.24Å; R843-L936 HydrophobicContact CG-CD1 3.79Å |
| 844 | R | 88.8 | Confident | 89.1 | Confident | 73 Ų | 73 | 38.5 Ų | 38.5 | 28% | 0.275 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61 | -47.9 | 175.8 | -73.6 | 165.9 | -174.2 | -178.5 | 6.5 | 112.3 | P840 L841 D842 R846 V847 L848 L936 | P840-R844 WeakPolarHBondContact O-CG 3.48Å; P840-R844 PolarHBondContact O-N 3.05Å; L841-R844 WeakPolarHBondContact O-CB 3.44Å; L841-R844 PolarHBondContact O-N 3.36Å; D842-R844 VanDerWaalsContact C-N 3.32Å; D842-R844 PolarHBondContact O-N 3.2Å; R844-R846 VanDerWaalsContact C-N 3.29Å; R844-R846 PolarHBondContact O-N 3.21Å; R844-V847 PolarHBondContact O-N 3.28Å; R844-L848 WeakPolarHBondContact O-CG 3.42Å; R844-L848 PolarHBondContact O-N 3.3Å; R844-L936 HydrophobicContact CB-CD2 4.18Å; R844-L936 HydrophobicContact CG-CD2 3.6Å; R844-L936 HydrophobicContact CG-CG 4.47Å |
| 845 | W | 91.7 | Very high | 89.5 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.4 | -42.8 | 178.2 | -75 | 130.7 | 0 | 0 | 0 | 112.8 | T795 C798 Q799 T802 V803 L841 D842 L848 G849 I930 Y932 | T795-W845 HydrophobicContact CG2-CB 4.03Å; C798-W845 WeakPolarHBondContact CB-O 3.22Å; Q799-W845 HydrophobicContact CB-CB 4.37Å; Q799-W845 HydrophobicContact CB-CD2 3.84Å; Q799-W845 HydrophobicContact CB-CE3 4Å; Q799-W845 HydrophobicContact CB-CG 4.03Å; Q799-W845 HydrophobicContact CG-CD2 3.76Å; Q799-W845 HydrophobicContact CG-CE3 3.85Å; Q799-W845 HydrophobicContact CG-CG 4.37Å; Q799-W845 HydrophobicContact CG-CH2 3.91Å; Q799-W845 HydrophobicContact CG-CZ2 3.8Å; Q799-W845 HydrophobicContact CG-CZ3 3.95Å; T802-W845 HydrophobicContact CG2-CE3 4.25Å; T802-W845 HydrophobicContact CG2-CZ3 3.83Å; V803-W845 HydrophobicContact CG2-CH2 3.8Å; V803-W845 HydrophobicContact CG2-CZ3 3.93Å; L841-W845 VanDerWaalsContact O-CD1 3.3Å; L841-W845 PolarHBondContact O-N 2.96Å; D842-W845 PolarHBondContact O-N 3.36Å; W845-L848 HydrophobicContact CE3-CD1 4.4Å; W845-L848 PolarHBondContact O-N 3.37Å; W845-G849 PolarHBondContact O-N 2.78Å; W845-I930 HydrophobicContact CH2-CD1 4.46Å; W845-I930 HydrophobicContact CZ3-CD1 4.49Å; W845-Y932 HydrophobicContact CE3-CE1 4.33Å; W845-Y932 AromaticContact CH2-CE1 3.64Å; W845-Y932 HydrophobicContact CH2-CE1 3.64Å; W845-Y932 AromaticContact CH2-CZ 3.66Å; W845-Y932 WeakPolarHBondContact CH2-OH 3.49Å; W845-Y932 HydrophobicContact CZ2-CE1 4.05Å; W845-Y932 AromaticContact CZ2-CZ 3.73Å; W845-Y932 WeakPolarHBondContact CZ2-OH 3.14Å; W845-Y932 AromaticContact CZ3-CE1 3.78Å; W845-Y932 HydrophobicContact CZ3-CE1 3.78Å |
| 846 | R | 93.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 34 Ų | 34 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 177.7 | -69.6 | -178.1 | -177.1 | -168.2 | -1.7 | 112.1 | A791 T795 Q832 K835 D842 R843 R844 L850 L879 | A791-R846 PolarHBondContact O-NH2 3.27Å; T795-R846 PolarHBondContact OG1-NE 2.94Å; T795-R846 PolarHBondContact OG1-NH2 3.38Å; Q832-R846 PolarHBondContact O-NH1 3.3Å; K835-R846 PolarHBondContact O-NH1 3.45Å; D842-R846 WeakPolarHBondContact O-CG 3.22Å; D842-R846 PolarHBondContact O-N 3.15Å; R843-R846 PolarHBondContact O-N 3.02Å; R844-R846 VanDerWaalsContact C-N 3.29Å; R844-R846 PolarHBondContact O-N 3.21Å; R846-L850 VanDerWaalsContact O-CB 3.31Å; R846-L850 WeakPolarHBondContact O-CB 3.47Å; R846-L850 WeakPolarHBondContact O-CD1 3.31Å; R846-L850 WeakPolarHBondContact O-CG 3.41Å; R846-L850 PolarHBondContact O-N 2.99Å; R846-L879 HydrophobicContact CB-CD1 3.63Å |
| 847 | V | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 179.7 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | R843 R844 L850 S851 L879 T880 L936 | R843-V847 WeakPolarHBondContact O-CG2 3.39Å; R843-V847 PolarHBondContact O-N 3.04Å; R843-V847 VanDerWaalsContact O-N 3.17Å; R844-V847 PolarHBondContact O-N 3.28Å; V847-L850 PolarHBondContact O-N 3.42Å; V847-S851 WeakPolarHBondContact O-CB 3.38Å; V847-S851 PolarHBondContact O-N 3.34Å; V847-S851 PolarHBondContact O-OG 3.1Å; V847-L879 HydrophobicContact CG2-CB 3.82Å; V847-L879 HydrophobicContact CG2-CD1 4.48Å; V847-T880 HydrophobicContact CG1-CG2 4.34Å; V847-T880 HydrophobicContact CG2-CG2 4.35Å; V847-L936 HydrophobicContact CB-CD2 4.14Å; V847-L936 HydrophobicContact CG1-CB 4.49Å; V847-L936 HydrophobicContact CG1-CD2 4.32Å; V847-L936 HydrophobicContact CG2-CD1 4.29Å; V847-L936 HydrophobicContact CG2-CD2 4.29Å |
| 848 | L | 92.4 | Very high | 90.8 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 178.9 | -71.3 | 164.3 | 0 | 0 | 0 | 112.2 | T802 R844 W845 L850 S851 N852 Y932 V939 | T802-L848 HydrophobicContact CG2-CB 3.75Å; T802-L848 HydrophobicContact CG2-CD1 4.15Å; T802-L848 HydrophobicContact CG2-CG 4.42Å; T802-L848 WeakPolarHBondContact OG1-CB 3.36Å; R844-L848 WeakPolarHBondContact O-CG 3.42Å; R844-L848 PolarHBondContact O-N 3.3Å; W845-L848 HydrophobicContact CE3-CD1 4.4Å; W845-L848 PolarHBondContact O-N 3.37Å; L848-L850 PolarHBondContact O-N 3.08Å; L848-S851 WeakPolarHBondContact O-CB 3.46Å; L848-S851 PolarHBondContact O-N 2.86Å; L848-N852 PolarHBondContact O-N 2.91Å; L848-Y932 HydrophobicContact CD1-CD1 3.76Å; L848-Y932 HydrophobicContact CD1-CE1 4.11Å; L848-V939 HydrophobicContact CD2-CG1 3.68Å |
| 849 | G | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C798 T802 W845 N852 L853 | C798-G849 WeakPolarHBondContact O-CA 3.46Å; T802-G849 PolarHBondContact OG1-N 3.01Å; W845-G849 PolarHBondContact O-N 2.78Å; G849-N852 PolarHBondContact O-N 3.25Å; G849-L853 WeakPolarHBondContact O-CG 3.47Å; G849-L853 PolarHBondContact O-N 3.4Å |
| 850 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.7 | -37 | 175.6 | -70.1 | 171.8 | 0 | 0 | 0 | 112.3 | L833 R846 V847 L848 N852 L853 L854 L872 M876 L879 | L833-L850 HydrophobicContact CD1-CD1 4.17Å; L833-L850 HydrophobicContact CD1-CD2 3.77Å; L833-L850 HydrophobicContact CD2-CD1 3.92Å; L833-L850 HydrophobicContact CD2-CD2 4.22Å; L833-L850 HydrophobicContact CD2-CG 4.5Å; R846-L850 VanDerWaalsContact O-CB 3.31Å; R846-L850 WeakPolarHBondContact O-CB 3.47Å; R846-L850 WeakPolarHBondContact O-CD1 3.31Å; R846-L850 WeakPolarHBondContact O-CG 3.41Å; R846-L850 PolarHBondContact O-N 2.99Å; V847-L850 PolarHBondContact O-N 3.42Å; L848-L850 PolarHBondContact O-N 3.08Å; L850-N852 VanDerWaalsContact C-N 3.33Å; L850-N852 PolarHBondContact O-N 3.42Å; L850-L853 HydrophobicContact CD2-CD1 4.39Å; L850-L853 PolarHBondContact O-N 3.23Å; L850-L854 WeakPolarHBondContact O-CB 3.36Å; L850-L854 VanDerWaalsContact O-CG 3.26Å; L850-L854 WeakPolarHBondContact O-CG 3.19Å; L850-L854 PolarHBondContact O-N 3.11Å; L850-L872 HydrophobicContact CD2-CB 4.45Å; L850-L872 HydrophobicContact CD2-CD2 3.67Å; L850-M876 HydrophobicContact CB-CB 4.13Å; L850-M876 HydrophobicContact CB-CG 4.39Å; L850-M876 HydrophobicContact CD1-CB 4.03Å; L850-L879 HydrophobicContact CD1-CD1 3.91Å |
| 851 | S | 93.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | V847 L848 L853 L854 V855 | V847-S851 WeakPolarHBondContact O-CB 3.38Å; V847-S851 PolarHBondContact O-N 3.34Å; V847-S851 PolarHBondContact O-OG 3.1Å; L848-S851 WeakPolarHBondContact O-CB 3.46Å; L848-S851 PolarHBondContact O-N 2.86Å; S851-L853 PolarHBondContact O-N 3.39Å; S851-L854 PolarHBondContact O-N 3.36Å; S851-V855 WeakPolarHBondContact O-CB 3.32Å; S851-V855 WeakPolarHBondContact O-CG2 3.49Å; S851-V855 PolarHBondContact O-N 3.22Å; S851-V855 VanDerWaalsContact O-N 3.13Å |
| 852 | N | 93.7 | Very high | 92.4 | Very high | 41 Ų | 41 | 25 Ų | 25 | 22% | 0.219 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.6 | -70 | -1.7 | 0 | 0 | 0 | 111.9 | L801 L848 G849 L850 D856 C857 | L801-N852 PolarHBondContact O-ND2 3.09Å; L848-N852 PolarHBondContact O-N 2.91Å; G849-N852 PolarHBondContact O-N 3.25Å; L850-N852 VanDerWaalsContact C-N 3.33Å; L850-N852 PolarHBondContact O-N 3.42Å; N852-D856 WeakPolarHBondContact O-CA 3.38Å; N852-D856 WeakPolarHBondContact O-CB 3.37Å; N852-D856 PolarHBondContact O-N 2.98Å; N852-C857 PolarHBondContact O-N 3.02Å |
| 853 | L | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 176 | -73.6 | 173.3 | 0 | 0 | 0 | 112.8 | L801 L806 F821 L825 G849 L850 S851 V855 C857 L872 | L801-L853 HydrophobicContact CD1-CD1 3.64Å; L801-L853 HydrophobicContact CD1-CD2 3.93Å; L801-L853 HydrophobicContact CD1-CG 3.77Å; L801-L853 HydrophobicContact CD2-CD2 4.07Å; L806-L853 HydrophobicContact CD1-CD2 4.16Å; F821-L853 HydrophobicContact CE1-CD2 4.47Å; F821-L853 HydrophobicContact CZ-CD2 3.77Å; L825-L853 HydrophobicContact CD1-CD2 4.43Å; L825-L853 HydrophobicContact CD2-CD1 3.72Å; L825-L853 HydrophobicContact CD2-CD2 4.37Å; G849-L853 WeakPolarHBondContact O-CG 3.47Å; G849-L853 PolarHBondContact O-N 3.4Å; L850-L853 HydrophobicContact CD2-CD1 4.39Å; L850-L853 PolarHBondContact O-N 3.23Å; S851-L853 PolarHBondContact O-N 3.39Å; L853-V855 VanDerWaalsContact C-N 3.33Å; L853-C857 HydrophobicContact CD2-CB 4.33Å; L853-C857 WeakPolarHBondContact O-CB 3.25Å; L853-L872 HydrophobicContact CD1-CD2 4.36Å |
| 854 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -76.2 | -23.1 | -174.3 | -70.9 | 169.2 | 0 | 0 | 0 | 113.3 | L850 S851 T861 W869 L872 A873 M876 | L850-L854 WeakPolarHBondContact O-CB 3.36Å; L850-L854 VanDerWaalsContact O-CG 3.26Å; L850-L854 WeakPolarHBondContact O-CG 3.19Å; L850-L854 PolarHBondContact O-N 3.11Å; S851-L854 PolarHBondContact O-N 3.36Å; L854-T861 VanDerWaalsContact O-CG2 3.23Å; L854-T861 WeakPolarHBondContact O-CG2 3.27Å; L854-W869 HydrophobicContact CD2-CD2 4Å; L854-W869 HydrophobicContact CD2-CG 3.88Å; L854-W869 WeakPolarHBondContact CD2-O 3.36Å; L854-W869 PolarHBondContact O-NE1 3.17Å; L854-W869 VanDerWaalsContact O-NE1 3.12Å; L854-L872 HydrophobicContact CD2-CB 3.73Å; L854-L872 HydrophobicContact CG-CB 4.33Å; L854-A873 HydrophobicContact CD1-CB 4.19Å; L854-A873 HydrophobicContact CD2-CB 4.06Å; L854-M876 HydrophobicContact CD1-CB 4.06Å; L854-M876 HydrophobicContact CD1-CE 3.62Å; L854-M876 HydrophobicContact CD1-SD 3.76Å |
| 855 | V | 92.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -110.9 | -46.5 | -173.9 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | S851 L853 A943 R946 L947 | S851-V855 WeakPolarHBondContact O-CB 3.32Å; S851-V855 WeakPolarHBondContact O-CG2 3.49Å; S851-V855 PolarHBondContact O-N 3.22Å; S851-V855 VanDerWaalsContact O-N 3.13Å; L853-V855 VanDerWaalsContact C-N 3.33Å; V855-A943 HydrophobicContact CG2-CB 4Å; V855-A943 VanDerWaalsContact CG2-O 3.31Å; V855-A943 WeakPolarHBondContact CG2-O 3.48Å; V855-R946 VanDerWaalsContact CG1-NH2 3.27Å; V855-L947 HydrophobicContact CB-CB 4.44Å; V855-L947 HydrophobicContact CG1-CB 3.89Å; V855-L947 HydrophobicContact CG1-CD1 4.4Å; V855-L947 HydrophobicContact CG2-CB 4.11Å; V855-L947 HydrophobicContact CG2-CD2 4.44Å |
| 856 | D | 92 | Very high | 92.5 | Very high | 67 Ų | 67 | 28.1 Ų | 28.1 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -99.9 | -12.8 | -170.7 | -58.7 | -49.8 | 0 | 0 | 0 | 113.2 | L806 N852 T858 R946 | L806-D856 HydrophobicContact CD2-CB 4.06Å; N852-D856 WeakPolarHBondContact O-CA 3.38Å; N852-D856 WeakPolarHBondContact O-CB 3.37Å; N852-D856 PolarHBondContact O-N 2.98Å; D856-T858 PolarHBondContact O-N 3.29Å; D856-R946 IonicContact OD1-CZ 3.7Å; D856-R946 IonicContact OD1-NH1 2.69Å; D856-R946 PolarHBondContact OD1-NH1 2.82Å; D856-R946 IonicContact OD1-NH2 3.68Å; D856-R946 PolarHBondContact OD1-NH2 3.32Å; D856-R946 IonicContact OD2-CZ 3.34Å; D856-R946 IonicContact OD2-NH1 3.4Å; D856-R946 IonicContact OD2-NH2 2.92Å; D856-R946 PolarHBondContact OD2-NH2 3.23Å |
| 857 | C | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | trans | -87 | 98.1 | -179.2 | -162.9 | 0 | 0 | 0 | 0 | 112.4 | L806 N852 L853 L859 V860 T861 | L806-C857 HydrophobicContact CD2-CB 3.69Å; N852-C857 PolarHBondContact O-N 3.02Å; L853-C857 HydrophobicContact CD2-CB 4.33Å; L853-C857 WeakPolarHBondContact O-CB 3.25Å; C857-L859 PolarHBondContact O-N 3.35Å; C857-V860 HydrophobicContact CB-CB 4.14Å; C857-V860 HydrophobicContact CB-CG2 4.09Å; C857-V860 PolarHBondContact O-N 2.96Å; C857-T861 PolarHBondContact O-N 3.38Å; C857-T861 PolarHBondContact O-OG1 3.16Å | ||
| 858 | T | 91.4 | Very high | 92.6 | Very high | 95 Ų | 95 | 32.2 Ų | 32.2 | 58% | 0.583 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -57.1 | -32.4 | 177.5 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | D856 V860 T861 S862 G863 | D856-T858 PolarHBondContact O-N 3.29Å; T858-V860 PolarHBondContact O-N 3.27Å; T858-T861 WeakPolarHBondContact CA-OG1 3.36Å; T858-T861 PolarHBondContact O-N 3.36Å; T858-S862 CarbonylContact O-C 3.56Å; T858-S862 PolarHBondContact O-N 3.23Å; T858-S862 PolarHBondContact O-OG 3.45Å; T858-G863 PolarHBondContact O-N 3.28Å |
| 859 | L | 93 | Very high | 92.8 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.6 | -36.3 | 174.7 | -61.3 | 178 | 0 | 0 | 0 | 112.2 | I810 F821 C857 G863 L865 S866 | I810-L859 HydrophobicContact CD1-CD1 4.17Å; I810-L859 HydrophobicContact CG2-CD1 4.02Å; F821-L859 HydrophobicContact CD1-CD1 4.16Å; F821-L859 HydrophobicContact CE1-CD1 4.47Å; C857-L859 PolarHBondContact O-N 3.35Å; L859-G863 CarbonylContact O-C 3.06Å; L859-G863 VanDerWaalsContact O-CA 3.29Å; L859-G863 WeakPolarHBondContact O-CA 3.13Å; L859-G863 PolarHBondContact O-N 2.92Å; L859-L865 HydrophobicContact CB-CB 4.48Å; L859-L865 HydrophobicContact CB-CD1 4.08Å; L859-L865 HydrophobicContact CB-CG 4.34Å; L859-L865 HydrophobicContact CD1-CD1 4.45Å; L859-L865 CarbonylContact O-C 3.2Å; L859-L865 WeakPolarHBondContact O-CA 3.49Å; L859-L865 WeakPolarHBondContact O-CB 3.25Å; L859-L865 PolarHBondContact O-N 2.99Å; L859-S866 PolarHBondContact O-N 2.88Å |
| 860 | V | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -92.3 | -31.3 | -178.3 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | L825 C857 T858 L865 S866 W869 L872 | L825-V860 HydrophobicContact CD1-CG2 4.14Å; C857-V860 HydrophobicContact CB-CB 4.14Å; C857-V860 HydrophobicContact CB-CG2 4.09Å; C857-V860 PolarHBondContact O-N 2.96Å; T858-V860 PolarHBondContact O-N 3.27Å; V860-L865 HydrophobicContact CG2-CB 4.14Å; V860-S866 VanDerWaalsContact O-CA 3.27Å; V860-S866 WeakPolarHBondContact O-CA 3.42Å; V860-W869 HydrophobicContact CG1-CB 3.95Å; V860-W869 HydrophobicContact CG1-CG 4.34Å; V860-L872 HydrophobicContact CG1-CD1 3.86Å; V860-L872 HydrophobicContact CG2-CD1 4.48Å |
| 861 | T | 91.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.5 | -36 | -179 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | L854 C857 T858 L954 | L854-T861 VanDerWaalsContact O-CG2 3.23Å; L854-T861 WeakPolarHBondContact O-CG2 3.27Å; C857-T861 PolarHBondContact O-N 3.38Å; C857-T861 PolarHBondContact O-OG1 3.16Å; T858-T861 WeakPolarHBondContact CA-OG1 3.36Å; T858-T861 PolarHBondContact O-N 3.36Å; T861-L954 WeakPolarHBondContact O-CD1 3.24Å |
| 862 | S | 87.4 | Confident | 92.9 | Very high | 82 Ų | 82 | 34.7 Ų | 34.7 | 57% | 0.573 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -141.3 | -7.2 | -175.3 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | T858 | T858-S862 CarbonylContact O-C 3.56Å; T858-S862 PolarHBondContact O-N 3.23Å; T858-S862 PolarHBondContact O-OG 3.45Å |
| 863 | G | 89 | Confident | 92.9 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 27% | 0.268 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -93.3 | -160.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T858 L859 L865 S866 | T858-G863 PolarHBondContact O-N 3.28Å; L859-G863 CarbonylContact O-C 3.06Å; L859-G863 VanDerWaalsContact O-CA 3.29Å; L859-G863 WeakPolarHBondContact O-CA 3.13Å; L859-G863 PolarHBondContact O-N 2.92Å; G863-L865 PolarHBondContact O-N 2.64Å; G863-S866 WeakPolarHBondContact O-CB 3.44Å; G863-S866 PolarHBondContact O-N 3.38Å; G863-S866 PolarHBondContact O-OG 3.42Å |
| 864 | N | 90.2 | Very high | 92.9 | Very high | 110 Ų | 110 | 38 Ų | 38 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -11.6 | -177.3 | 62.8 | -31.5 | 0 | 0 | 0 | 114.6 | ||
| 865 | L | 93.4 | Very high | 92.8 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 14% | 0.136 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 13.5 | 177.7 | -55.2 | 179.9 | 0 | 0 | 0 | 112.7 | F821 L825 L859 V860 G863 A867 L868 | F821-L865 HydrophobicContact CD1-CD1 3.78Å; F821-L865 HydrophobicContact CE1-CD1 4.24Å; L825-L865 HydrophobicContact CD1-CD1 4.46Å; L859-L865 HydrophobicContact CB-CB 4.48Å; L859-L865 HydrophobicContact CB-CD1 4.08Å; L859-L865 HydrophobicContact CB-CG 4.34Å; L859-L865 HydrophobicContact CD1-CD1 4.45Å; L859-L865 CarbonylContact O-C 3.2Å; L859-L865 WeakPolarHBondContact O-CA 3.49Å; L859-L865 WeakPolarHBondContact O-CB 3.25Å; L859-L865 PolarHBondContact O-N 2.99Å; V860-L865 HydrophobicContact CG2-CB 4.14Å; G863-L865 PolarHBondContact O-N 2.64Å; L865-A867 PolarHBondContact O-N 3.19Å; L865-A867 VanDerWaalsContact O-N 3.15Å; L865-L868 HydrophobicContact CB-CD1 4.32Å; L865-L868 HydrophobicContact CD2-CD1 4.32Å; L865-L868 WeakPolarHBondContact O-CB 3.49Å; L865-L868 PolarHBondContact O-N 3.22Å |
| 866 | S | 91 | Very high | 92.8 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -55.4 | -30.4 | 179.6 | 48 | 0 | 0 | 0 | 0 | 114.7 | L859 V860 G863 L868 W869 | L859-S866 PolarHBondContact O-N 2.88Å; V860-S866 VanDerWaalsContact O-CA 3.27Å; V860-S866 WeakPolarHBondContact O-CA 3.42Å; G863-S866 WeakPolarHBondContact O-CB 3.44Å; G863-S866 PolarHBondContact O-N 3.38Å; G863-S866 PolarHBondContact O-OG 3.42Å; S866-L868 PolarHBondContact O-N 3.39Å; S866-W869 WeakPolarHBondContact O-CB 3.29Å; S866-W869 PolarHBondContact O-N 2.85Å; S866-W869 VanDerWaalsContact O-N 3.14Å |
| 867 | A | 92.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 59% | 0.587 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -61.5 | -24.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L865 P871 | L865-A867 PolarHBondContact O-N 3.19Å; L865-A867 VanDerWaalsContact O-N 3.15Å; A867-P871 WeakPolarHBondContact O-CD 3.39Å |
| 868 | L | 95.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -82.7 | -11.4 | 178.9 | -56.8 | -175.7 | 0 | 0 | 0 | 113.1 | L825 E826 I830 L865 S866 V870 P871 L872 | L825-L868 HydrophobicContact CB-CD1 3.89Å; L825-L868 HydrophobicContact CD1-CD1 4.42Å; E826-L868 HydrophobicContact CB-CD1 4.35Å; E826-L868 HydrophobicContact CB-CD2 4.1Å; E826-L868 HydrophobicContact CG-CD2 3.98Å; I830-L868 HydrophobicContact CD1-CB 4.28Å; I830-L868 HydrophobicContact CD1-CD2 4Å; L865-L868 HydrophobicContact CB-CD1 4.32Å; L865-L868 HydrophobicContact CD2-CD1 4.32Å; L865-L868 WeakPolarHBondContact O-CB 3.49Å; L865-L868 PolarHBondContact O-N 3.22Å; S866-L868 PolarHBondContact O-N 3.39Å; L868-V870 PolarHBondContact O-N 3.19Å; L868-P871 WeakPolarHBondContact O-CD 3.49Å; L868-L872 HydrophobicContact CB-CD1 4.24Å; L868-L872 WeakPolarHBondContact O-CB 3.42Å; L868-L872 WeakPolarHBondContact O-CD1 3.24Å; L868-L872 WeakPolarHBondContact O-CG 3.5Å; L868-L872 PolarHBondContact O-N 3.46Å; L868-L872 VanDerWaalsContact O-N 3.12Å |
| 869 | W | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | -177.6 | -169 | 97.3 | 0 | 0 | 0 | 111.9 | L854 V860 S866 L872 A873 M955 L958 M959 L970 | L854-W869 HydrophobicContact CD2-CD2 4Å; L854-W869 HydrophobicContact CD2-CG 3.88Å; L854-W869 WeakPolarHBondContact CD2-O 3.36Å; L854-W869 PolarHBondContact O-NE1 3.17Å; L854-W869 VanDerWaalsContact O-NE1 3.12Å; V860-W869 HydrophobicContact CG1-CB 3.95Å; V860-W869 HydrophobicContact CG1-CG 4.34Å; S866-W869 WeakPolarHBondContact O-CB 3.29Å; S866-W869 PolarHBondContact O-N 2.85Å; S866-W869 VanDerWaalsContact O-N 3.14Å; W869-L872 PolarHBondContact O-N 3.26Å; W869-A873 HydrophobicContact CE3-CB 4.09Å; W869-A873 HydrophobicContact CH2-CB 4.24Å; W869-A873 HydrophobicContact CZ3-CB 3.94Å; W869-A873 VanDerWaalsContact O-CB 3.3Å; W869-A873 WeakPolarHBondContact O-CB 3.33Å; W869-A873 PolarHBondContact O-N 3.46Å; W869-M955 HydrophobicContact CH2-CE 4.29Å; W869-M955 HydrophobicContact CH2-SD 4.42Å; W869-M955 HydrophobicContact CZ2-CE 4.35Å; W869-M955 HydrophobicContact CZ2-SD 4.13Å; W869-L958 HydrophobicContact CB-CD2 4.03Å; W869-L958 HydrophobicContact CD2-CB 3.86Å; W869-L958 HydrophobicContact CD2-CD1 4.26Å; W869-L958 HydrophobicContact CD2-CD2 4.04Å; W869-L958 HydrophobicContact CD2-CG 4.28Å; W869-L958 HydrophobicContact CE3-CB 3.88Å; W869-L958 HydrophobicContact CG-CB 4.49Å; W869-L958 HydrophobicContact CG-CD1 4.32Å; W869-L958 HydrophobicContact CG-CD2 3.77Å; W869-L958 HydrophobicContact CG-CG 4.42Å; W869-L958 HydrophobicContact CH2-CB 4.04Å; W869-L958 HydrophobicContact CZ2-CB 4.01Å; W869-L958 HydrophobicContact CZ2-CD1 4.32Å; W869-L958 HydrophobicContact CZ3-CB 3.98Å; W869-M959 HydrophobicContact CH2-CG 4.41Å; W869-L970 HydrophobicContact CH2-CD1 3.89Å; W869-L970 HydrophobicContact CZ3-CD1 4.02Å |
| 870 | V | 94.7 | Very high | 92 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -51.6 | -179 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | L868 L872 A873 K874 M961 A962 L966 | L868-V870 PolarHBondContact O-N 3.19Å; V870-L872 VanDerWaalsContact C-N 3.33Å; V870-L872 PolarHBondContact O-N 3.42Å; V870-A873 PolarHBondContact O-N 2.94Å; V870-K874 WeakPolarHBondContact O-CB 3.31Å; V870-K874 PolarHBondContact O-N 3.04Å; V870-M961 HydrophobicContact CG2-CB 3.75Å; V870-A962 HydrophobicContact CG1-CB 4.32Å; V870-A962 HydrophobicContact CG2-CB 4.22Å; V870-L966 HydrophobicContact CG1-CD2 3.98Å |
| 871 | P | 95.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.2 | -40.5 | 173.7 | -26.7 | 32.3 | 0 | 0 | 0 | 114.4 | I830 A867 L868 K874 G875 | I830-P871 HydrophobicContact CD1-CB 3.76Å; I830-P871 HydrophobicContact CD1-CG 4.45Å; I830-P871 HydrophobicContact CG1-CB 4.1Å; I830-P871 HydrophobicContact CG2-CB 3.93Å; A867-P871 WeakPolarHBondContact O-CD 3.39Å; L868-P871 WeakPolarHBondContact O-CD 3.49Å; P871-K874 PolarHBondContact O-N 3.45Å; P871-G875 PolarHBondContact O-N 3.37Å |
| 872 | L | 96.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -42.7 | 178.2 | -69.9 | 168.8 | 0 | 0 | 0 | 111.4 | I830 L833 L850 L853 L854 V860 L868 W869 V870 G875 M876 | I830-L872 HydrophobicContact CD1-CD2 4.25Å; I830-L872 HydrophobicContact CD1-CG 4.21Å; I830-L872 HydrophobicContact CG1-CD2 3.8Å; I830-L872 HydrophobicContact CG1-CG 4.2Å; L833-L872 HydrophobicContact CD1-CD2 4.08Å; L850-L872 HydrophobicContact CD2-CB 4.45Å; L850-L872 HydrophobicContact CD2-CD2 3.67Å; L853-L872 HydrophobicContact CD1-CD2 4.36Å; L854-L872 HydrophobicContact CD2-CB 3.73Å; L854-L872 HydrophobicContact CG-CB 4.33Å; V860-L872 HydrophobicContact CG1-CD1 3.86Å; V860-L872 HydrophobicContact CG2-CD1 4.48Å; L868-L872 HydrophobicContact CB-CD1 4.24Å; L868-L872 WeakPolarHBondContact O-CB 3.42Å; L868-L872 WeakPolarHBondContact O-CD1 3.24Å; L868-L872 WeakPolarHBondContact O-CG 3.5Å; L868-L872 PolarHBondContact O-N 3.46Å; L868-L872 VanDerWaalsContact O-N 3.12Å; W869-L872 PolarHBondContact O-N 3.26Å; V870-L872 VanDerWaalsContact C-N 3.33Å; V870-L872 PolarHBondContact O-N 3.42Å; L872-G875 PolarHBondContact O-N 3.15Å; L872-M876 PolarHBondContact O-N 2.85Å |
| 873 | A | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L854 W869 V870 G875 M876 V877 L966 L970 | L854-A873 HydrophobicContact CD1-CB 4.19Å; L854-A873 HydrophobicContact CD2-CB 4.06Å; W869-A873 HydrophobicContact CE3-CB 4.09Å; W869-A873 HydrophobicContact CH2-CB 4.24Å; W869-A873 HydrophobicContact CZ3-CB 3.94Å; W869-A873 VanDerWaalsContact O-CB 3.3Å; W869-A873 WeakPolarHBondContact O-CB 3.33Å; W869-A873 PolarHBondContact O-N 3.46Å; V870-A873 PolarHBondContact O-N 2.94Å; A873-G875 VanDerWaalsContact C-N 3.29Å; A873-G875 PolarHBondContact O-N 3.38Å; A873-M876 PolarHBondContact O-N 2.89Å; A873-V877 WeakPolarHBondContact O-CG2 3.37Å; A873-V877 PolarHBondContact O-N 3.37Å; A873-L966 HydrophobicContact CB-CD2 4.41Å; A873-L970 HydrophobicContact CB-CD1 4.48Å; A873-L970 HydrophobicContact CB-CD2 4.49Å |
| 874 | K | 93.7 | Very high | 85.4 | Confident | 109 Ų | 109 | 43.5 Ų | 43.5 | 47% | 0.474 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 174.1 | -168.3 | 167.3 | -174.8 | 158.3 | 0 | 111.9 | V870 P871 V877 S878 D963 L966 | V870-K874 WeakPolarHBondContact O-CB 3.31Å; V870-K874 PolarHBondContact O-N 3.04Å; P871-K874 PolarHBondContact O-N 3.45Å; K874-V877 PolarHBondContact O-N 2.94Å; K874-S878 PolarHBondContact O-N 3Å; K874-S878 PolarHBondContact O-OG 3.29Å; K874-D963 IonicContact NZ-OD2 3.1Å; K874-L966 HydrophobicContact CB-CD1 4.36Å; K874-L966 HydrophobicContact CB-CD2 4.02Å |
| 875 | G | 92.4 | Very high | 83 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | P871 L872 A873 S878 L879 | P871-G875 PolarHBondContact O-N 3.37Å; L872-G875 PolarHBondContact O-N 3.15Å; A873-G875 VanDerWaalsContact C-N 3.29Å; A873-G875 PolarHBondContact O-N 3.38Å; G875-S878 PolarHBondContact O-OG 2.89Å; G875-L879 WeakPolarHBondContact O-CB 3.38Å; G875-L879 WeakPolarHBondContact O-CD1 3.19Å; G875-L879 VanDerWaalsContact O-CG 3.23Å; G875-L879 WeakPolarHBondContact O-CG 3.41Å; G875-L879 PolarHBondContact O-N 3.23Å |
| 876 | M | 93.1 | Very high | 80.3 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.3 | -176.3 | -178.4 | 66.4 | 0 | 0 | 110.7 | L850 L854 L872 A873 L879 T880 A940 L944 | L850-M876 HydrophobicContact CB-CB 4.13Å; L850-M876 HydrophobicContact CB-CG 4.39Å; L850-M876 HydrophobicContact CD1-CB 4.03Å; L854-M876 HydrophobicContact CD1-CB 4.06Å; L854-M876 HydrophobicContact CD1-CE 3.62Å; L854-M876 HydrophobicContact CD1-SD 3.76Å; L872-M876 PolarHBondContact O-N 2.85Å; A873-M876 PolarHBondContact O-N 2.89Å; M876-L879 PolarHBondContact O-N 3.37Å; M876-T880 WeakPolarHBondContact O-CG2 3.28Å; M876-T880 PolarHBondContact O-N 2.75Å; M876-T880 VanDerWaalsContact O-N 3.12Å; M876-T880 PolarHBondContact O-OG1 2.71Å; M876-A940 HydrophobicContact CE-CB 4.07Å; M876-A940 HydrophobicContact CG-CB 4.21Å; M876-A940 HydrophobicContact SD-CB 3.83Å; M876-L944 HydrophobicContact CE-CD1 3.83Å; M876-L944 HydrophobicContact CE-CD2 4.18Å; M876-L944 HydrophobicContact CE-CG 4.04Å |
| 877 | V | 90.9 | Very high | 77.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 179.1 | 173 | 0 | 0 | 0 | 0 | 110.6 | A873 K874 L879 T880 T881 L966 Q969 L970 L973 | A873-V877 WeakPolarHBondContact O-CG2 3.37Å; A873-V877 PolarHBondContact O-N 3.37Å; K874-V877 PolarHBondContact O-N 2.94Å; V877-L879 VanDerWaalsContact C-N 3.27Å; V877-L879 PolarHBondContact O-N 3.1Å; V877-T880 CarbonylContact O-C 3.27Å; V877-T880 WeakPolarHBondContact O-CA 3.44Å; V877-T880 PolarHBondContact O-N 3.39Å; V877-T880 PolarHBondContact O-OG1 3.33Å; V877-T881 HydrophobicContact CG1-CG2 3.8Å; V877-T881 WeakPolarHBondContact O-CG2 3.19Å; V877-T881 PolarHBondContact O-N 3.02Å; V877-T881 PolarHBondContact O-OG1 3.04Å; V877-L966 HydrophobicContact CB-CD1 4.27Å; V877-L966 HydrophobicContact CG2-CD1 3.93Å; V877-Q969 HydrophobicContact CG1-CB 3.79Å; V877-Q969 HydrophobicContact CG1-CG 4.21Å; V877-L970 HydrophobicContact CG2-CD2 3.86Å; V877-L970 HydrophobicContact CG2-CG 4.44Å; V877-L973 HydrophobicContact CG2-CD1 3.97Å |
| 878 | S | 89.3 | Confident | 75.2 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.8 | -43.9 | 177.2 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | L833 K874 G875 T880 T881 T882 | L833-S878 PolarHBondContact O-OG 3.37Å; K874-S878 PolarHBondContact O-N 3Å; K874-S878 PolarHBondContact O-OG 3.29Å; G875-S878 PolarHBondContact O-OG 2.89Å; S878-T880 PolarHBondContact O-N 3.24Å; S878-T881 PolarHBondContact O-N 3.22Å; S878-T881 PolarHBondContact O-OG1 2.86Å; S878-T882 WeakPolarHBondContact O-CB 3.37Å; S878-T882 PolarHBondContact O-N 3.32Å; S878-T882 PolarHBondContact O-OG1 2.86Å |
| 879 | L | 88.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -18.7 | 177.4 | -69.1 | 170.8 | 0 | 0 | 0 | 113.5 | R843 R846 V847 L850 G875 M876 V877 | R843-L879 HydrophobicContact CG-CD2 4.45Å; R843-L879 PolarHBondContact NE-O 2.94Å; R843-L879 PolarHBondContact NH2-O 2.92Å; R846-L879 HydrophobicContact CB-CD1 3.63Å; V847-L879 HydrophobicContact CG2-CB 3.82Å; V847-L879 HydrophobicContact CG2-CD1 4.48Å; L850-L879 HydrophobicContact CD1-CD1 3.91Å; G875-L879 WeakPolarHBondContact O-CB 3.38Å; G875-L879 WeakPolarHBondContact O-CD1 3.19Å; G875-L879 VanDerWaalsContact O-CG 3.23Å; G875-L879 WeakPolarHBondContact O-CG 3.41Å; G875-L879 PolarHBondContact O-N 3.23Å; M876-L879 PolarHBondContact O-N 3.37Å; V877-L879 VanDerWaalsContact C-N 3.27Å; V877-L879 PolarHBondContact O-N 3.1Å |
| 880 | T | 86.1 | Confident | 69.4 | Low | 12 Ų | 12 | 51.5 Ų | 51.5 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -96 | -25.7 | 173.9 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | V847 M876 V877 S878 L936 A940 | V847-T880 HydrophobicContact CG1-CG2 4.34Å; V847-T880 HydrophobicContact CG2-CG2 4.35Å; M876-T880 WeakPolarHBondContact O-CG2 3.28Å; M876-T880 PolarHBondContact O-N 2.75Å; M876-T880 VanDerWaalsContact O-N 3.12Å; M876-T880 PolarHBondContact O-OG1 2.71Å; V877-T880 CarbonylContact O-C 3.27Å; V877-T880 WeakPolarHBondContact O-CA 3.44Å; V877-T880 PolarHBondContact O-N 3.39Å; V877-T880 PolarHBondContact O-OG1 3.33Å; S878-T880 PolarHBondContact O-N 3.24Å; T880-L936 HydrophobicContact CG2-CB 4.33Å; T880-A940 HydrophobicContact CG2-CB 3.97Å |
| 881 | T | 76.6 | Confident | 66.8 | Low | 72 Ų | 72 | 56.3 Ų | 56.3 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -95 | -20.7 | -176 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | V877 S878 S883 | V877-T881 HydrophobicContact CG1-CG2 3.8Å; V877-T881 WeakPolarHBondContact O-CG2 3.19Å; V877-T881 PolarHBondContact O-N 3.02Å; V877-T881 PolarHBondContact O-OG1 3.04Å; S878-T881 PolarHBondContact O-N 3.22Å; S878-T881 PolarHBondContact O-OG1 2.86Å; T881-S883 PolarHBondContact O-N 3.16Å |
| 882 | T | 58.1 | Low | 63.7 | Low | 57 Ų | 57 | 60.1 Ų | 60.1 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -60.5 | 106.8 | 178.3 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | T836 R843 S878 | T836-T882 PolarHBondContact OG1-OG1 3.45Å; R843-T882 PolarHBondContact NH2-O 3.24Å; S878-T882 WeakPolarHBondContact O-CB 3.37Å; S878-T882 PolarHBondContact O-N 3.32Å; S878-T882 PolarHBondContact O-OG1 2.86Å |
| 883 | S | 46.9 | Very low | 60.5 | Low | 57 Ų | 57 | 63.7 Ų | 63.7 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | trans | 48.7 | 111.5 | 170.5 | -102.1 | 0 | 0 | 0 | 0 | 121.1 | T881 S885 N886 | T881-S883 PolarHBondContact O-N 3.16Å; S883-S885 VanDerWaalsContact CB-OG 3.24Å; S883-S885 WeakPolarHBondContact CB-OG 3.37Å; S883-S885 PolarHBondContact O-N 3.38Å; S883-S885 PolarHBondContact OG-OG 2.96Å; S883-N886 PolarHBondContact O-N 3.43Å | ||
| 884 | R | 40.1 | Very low | 57.4 | Low | 218 Ų | 218 | 66.5 Ų | 66.5 | 82% | 0.823 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65 | -18.6 | 157.1 | -80.5 | 179.2 | 167.4 | 176.7 | -4.8 | 113.6 | N886 | R884-N886 VanDerWaalsContact C-N 3.25Å; R884-N886 PolarHBondContact O-N 3.43Å |
| 885 | S | 39.6 | Very low | 54.2 | Low | 62 Ų | 62 | 69.3 Ų | 69.3 | 43% | 0.434 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 174.9 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | S883 Q889 | S883-S885 VanDerWaalsContact CB-OG 3.24Å; S883-S885 WeakPolarHBondContact CB-OG 3.37Å; S883-S885 PolarHBondContact O-N 3.38Å; S883-S885 PolarHBondContact OG-OG 2.96Å; S885-Q889 PolarHBondContact O-OE1 3.26Å |
| 886 | N | 37.8 | Very low | 51.1 | Low | 67 Ų | 67 | 74 Ų | 74 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -89.5 | -24.6 | -174.6 | -81.3 | 56.6 | 0 | 0 | 0 | 112.9 | S883 R884 A888 Q889 D890 | S883-N886 PolarHBondContact O-N 3.43Å; R884-N886 VanDerWaalsContact C-N 3.25Å; R884-N886 PolarHBondContact O-N 3.43Å; N886-A888 VanDerWaalsContact C-N 3.3Å; N886-A888 PolarHBondContact O-N 3.03Å; N886-Q889 PolarHBondContact O-N 2.98Å; N886-D890 WeakPolarHBondContact CB-OD1 3.22Å; N886-D890 WeakPolarHBondContact CB-OD2 3.43Å; N886-D890 PolarHBondContact ND2-OD1 3.48Å; N886-D890 WeakPolarHBondContact O-CA 3.25Å; N886-D890 WeakPolarHBondContact O-CB 3.49Å; N886-D890 PolarHBondContact O-N 2.8Å |
| 887 | Q | 37.4 | Very low | 47.9 | Very low | 88 Ų | 88 | 81.2 Ų | 81.2 | 41% | 0.411 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.5 | -25 | -178.5 | -74.3 | -178.1 | -8.3 | 0 | 0 | 114.7 | ||
| 888 | A | 37.9 | Very low | 44.9 | Very low | 68 Ų | 68 | 84.9 Ų | 84.9 | 56% | 0.562 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -87.8 | -34.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | N886 | N886-A888 VanDerWaalsContact C-N 3.3Å; N886-A888 PolarHBondContact O-N 3.03Å |
| 889 | Q | 32.1 | Very low | 42.1 | Very low | 94 Ų | 94 | 86.9 Ų | 86.9 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -78.2 | -37 | 175.5 | -77.5 | -175.9 | -86.3 | 0 | 0 | 113.4 | S885 N886 E891 E892 E893 | S885-Q889 PolarHBondContact O-OE1 3.26Å; N886-Q889 PolarHBondContact O-N 2.98Å; Q889-E891 PolarHBondContact O-N 3.46Å; Q889-E892 PolarHBondContact O-N 3.3Å; Q889-E892 VanDerWaalsContact O-N 3.15Å; Q889-E893 PolarHBondContact NE2-OE1 3.15Å; Q889-E893 VanDerWaalsContact O-CB 3.23Å; Q889-E893 WeakPolarHBondContact O-CB 3.46Å; Q889-E893 WeakPolarHBondContact O-CG 3.42Å; Q889-E893 PolarHBondContact O-N 2.87Å |
| 890 | D | 37.7 | Very low | 39.5 | Very low | 58 Ų | 58 | 88.4 Ų | 88.4 | 31% | 0.31 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.6 | -23.9 | 179.8 | -64.1 | -15.8 | 0 | 0 | 0 | 111.8 | N886 | N886-D890 WeakPolarHBondContact CB-OD1 3.22Å; N886-D890 WeakPolarHBondContact CB-OD2 3.43Å; N886-D890 PolarHBondContact ND2-OD1 3.48Å; N886-D890 WeakPolarHBondContact O-CA 3.25Å; N886-D890 WeakPolarHBondContact O-CB 3.49Å; N886-D890 PolarHBondContact O-N 2.8Å |
| 891 | E | 38.8 | Very low | 37 | Very low | 131 Ų | 131 | 91.5 Ų | 91.5 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -84.6 | -28 | 174 | -72.7 | -170.5 | 169.7 | 0 | 0 | 112.5 | Q889 | Q889-E891 PolarHBondContact O-N 3.46Å |
| 892 | E | 31.6 | Very low | 34.8 | Very low | 129 Ų | 129 | 95.3 Ų | 95.3 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -90.4 | -38.9 | 177.1 | -71.3 | -177.4 | 170.7 | 0 | 0 | 112.3 | Q889 E896 | Q889-E892 PolarHBondContact O-N 3.3Å; Q889-E892 VanDerWaalsContact O-N 3.15Å; E892-E896 WeakPolarHBondContact O-CB 3.32Å; E892-E896 WeakPolarHBondContact O-CG 3.31Å; E892-E896 PolarHBondContact O-N 3.13Å |
| 893 | E | 28.6 | Very low | 33.9 | Very low | 76 Ų | 76 | 94.1 Ų | 94.1 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.7 | -32.6 | -178.7 | -69.5 | 172.5 | -173.4 | 0 | 0 | 112.2 | Q889 E895 E897 | Q889-E893 PolarHBondContact NE2-OE1 3.15Å; Q889-E893 VanDerWaalsContact O-CB 3.23Å; Q889-E893 WeakPolarHBondContact O-CB 3.46Å; Q889-E893 WeakPolarHBondContact O-CG 3.42Å; Q889-E893 PolarHBondContact O-N 2.87Å; E893-E895 PolarHBondContact O-N 2.54Å; E893-E897 HydrophobicContact CB-CG 4.41Å; E893-E897 WeakPolarHBondContact O-CB 3.44Å; E893-E897 PolarHBondContact O-N 3.44Å; E893-E897 VanDerWaalsContact O-N 3.1Å |
| 894 | G | 27.6 | Very low | 33.2 | Very low | 58 Ų | 58 | 98.8 Ų | 98.8 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70 | -28.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 895 | E | 28 | Very low | 32.9 | Very low | 168 Ų | 168 | 91.8 Ų | 91.8 | 79% | 0.785 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -95.9 | -24.8 | 177 | -67.6 | -169.2 | 174.2 | 0 | 0 | 112.7 | E893 | E893-E895 PolarHBondContact O-N 2.54Å |
| 896 | E | 26.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 92.6 Ų | 92.6 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -100.7 | -25 | -174.1 | -65.3 | -157.3 | 150 | 0 | 0 | 116.2 | E892 T898 | E892-E896 WeakPolarHBondContact O-CB 3.32Å; E892-E896 WeakPolarHBondContact O-CG 3.31Å; E892-E896 PolarHBondContact O-N 3.13Å; E896-T898 VanDerWaalsContact C-N 3.29Å; E896-T898 PolarHBondContact O-N 2.89Å |
| 897 | E | 25.8 | Very low | 32.1 | Very low | 153 Ų | 153 | 95.5 Ų | 95.5 | 72% | 0.715 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -4.8 | -173.1 | -75.4 | -159.4 | 146.3 | 0 | 0 | 115.5 | E893 | E893-E897 HydrophobicContact CB-CG 4.41Å; E893-E897 WeakPolarHBondContact O-CB 3.44Å; E893-E897 PolarHBondContact O-N 3.44Å; E893-E897 VanDerWaalsContact O-N 3.1Å |
| 898 | T | 28.3 | Very low | 31.7 | Very low | 78 Ų | 78 | 96 Ų | 96 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 8.1 | -178.5 | 56.3 | 0 | 0 | 0 | 0 | 115.1 | E896 G900 V920 | E896-T898 VanDerWaalsContact C-N 3.29Å; E896-T898 PolarHBondContact O-N 2.89Å; T898-G900 VanDerWaalsContact C-N 3.26Å; T898-G900 PolarHBondContact O-N 3.42Å; T898-V920 VanDerWaalsContact O-CG1 3.3Å; T898-V920 WeakPolarHBondContact O-CG1 3.31Å; T898-V920 VanDerWaalsContact O-CG2 3.28Å; T898-V920 WeakPolarHBondContact O-CG2 3.49Å |
| 899 | V | 29.4 | Very low | 31.6 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -75.4 | 79.5 | 174.3 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | Q901 | V899-Q901 PolarHBondContact O-N 3.47Š|
| 900 | G | 35 | Very low | 31.9 | Very low | 31 Ų | 31 | 100.6 Ų | 100.6 | 32% | 0.32 | 53% | 0.528 | S | S | . | . | S | Bend | 76.4 | 16 | 127.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | T898 | T898-G900 VanDerWaalsContact C-N 3.26Å; T898-G900 PolarHBondContact O-N 3.42Å | |
| 901 | Q | 33.3 | Very low | 31.8 | Very low | 78 Ų | 78 | 99.7 Ų | 99.7 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -119.4 | -27.2 | 174.2 | -70 | -166.6 | -19.7 | 0 | 0 | 115.7 | S446 V899 I903 | S446-Q901 PolarHBondContact OG-OE1 3.07Å; V899-Q901 PolarHBondContact O-N 3.47Å; Q901-I903 VanDerWaalsContact C-N 3.26Å; Q901-I903 PolarHBondContact O-N 3.36Å |
| 902 | N | 31.1 | Very low | 31.6 | Very low | 152 Ų | 152 | 100.7 Ų | 100.7 | 81% | 0.813 | 54% | 0.541 | S | S | * | . | trans | -86.9 | 75.7 | 169.9 | -69.5 | -15 | 0 | 0 | 0 | 108.3 | Q904 | N902-Q904 PolarHBondContact O-N 2.88Š| ||
| 903 | I | 38.6 | Very low | 32.4 | Very low | 32 Ų | 32 | 97.6 Ų | 97.6 | 16% | 0.164 | 53% | 0.528 | C | S | . | . | trans | -60.9 | 96.8 | 152.9 | -51.8 | -172.7 | 0 | 0 | 0 | 103.9 | Y615 H618 F619 Q901 L905 | Y615-I903 HydrophobicContact CD1-CD1 3.43Å; Y615-I903 VanDerWaalsContact CD1-CD1 3.43Å; Y615-I903 HydrophobicContact CE1-CB 4.48Å; Y615-I903 HydrophobicContact CE1-CD1 3.69Å; Y615-I903 HydrophobicContact CE1-CG1 4.4Å; Y615-I903 HydrophobicContact CG-CD1 4.48Å; H618-I903 HydrophobicContact CB-CD1 4.33Å; F619-I903 HydrophobicContact CE2-CD1 4.15Å; Q901-I903 VanDerWaalsContact C-N 3.26Å; Q901-I903 PolarHBondContact O-N 3.36Å; I903-L905 HydrophobicContact CG2-CD2 3.88Å; I903-L905 HydrophobicContact CG2-CG 3.68Å; I903-L905 PolarHBondContact O-N 2.99Å | ||
| 904 | Q | 31.9 | Very low | 33.6 | Very low | 154 Ų | 154 | 94.8 Ų | 94.8 | 72% | 0.72 | 52% | 0.518 | S | S | * | . | trans | -66.7 | 77.4 | 158.9 | -70 | -178.2 | 10 | 0 | 0 | 104.9 | N902 T906 | N902-Q904 PolarHBondContact O-N 2.88Å; Q904-T906 PolarHBondContact O-N 3.47Å | ||
| 905 | L | 34.4 | Very low | 35.4 | Very low | 71 Ų | 71 | 94.3 Ų | 94.3 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | trans | -59.1 | 93.2 | 147.1 | -66.8 | 173.6 | 0 | 0 | 0 | 101.6 | Y615 I903 E907 | Y615-L905 HydrophobicContact CE2-CD1 4.08Å; I903-L905 HydrophobicContact CG2-CD2 3.88Å; I903-L905 HydrophobicContact CG2-CG 3.68Å; I903-L905 PolarHBondContact O-N 2.99Å; L905-E907 VanDerWaalsContact C-N 3.31Å; L905-E907 PolarHBondContact O-N 2.86Å | ||
| 906 | T | 30.4 | Very low | 37.7 | Very low | 79 Ų | 79 | 88.8 Ų | 88.8 | 49% | 0.485 | 48% | 0.475 | S | S | . | . | trans | -51.1 | 115.2 | 161.6 | 44.7 | 0 | 0 | 0 | 0 | 103.2 | Q904 V915 | Q904-T906 PolarHBondContact O-N 3.47Å; T906-V915 WeakPolarHBondContact OG1-CG1 3.3Å | ||
| 907 | E | 29 | Very low | 40.4 | Very low | 128 Ų | 128 | 84.3 Ų | 84.3 | 60% | 0.598 | 46% | 0.455 | S | S | * | . | trans | -41.4 | 134.7 | 168.1 | -70.7 | -175.4 | 153.3 | 0 | 0 | 106.2 | L905 K909 | L905-E907 VanDerWaalsContact C-N 3.31Å; L905-E907 PolarHBondContact O-N 2.86Å; E907-K909 PolarHBondContact O-N 3.41Å | ||
| 908 | P | 30.7 | Very low | 43.5 | Very low | 98 Ų | 98 | 80.1 Ų | 80.1 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | trans | -62.1 | 83 | -179.3 | 25.1 | -32.7 | 0 | 0 | 0 | 108 | D910 | P908-D910 PolarHBondContact O-N 3.39Š| ||
| 909 | K | 35.1 | Very low | 46.6 | Very low | 163 Ų | 163 | 76.4 Ų | 76.4 | 71% | 0.709 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -65 | -19.9 | 178 | -79.2 | -166.6 | 173.3 | -173.9 | 0 | 109.5 | E907 | E907-K909 PolarHBondContact O-N 3.41Š|
| 910 | D | 38.3 | Very low | 49.4 | Very low | 96 Ų | 96 | 74.3 Ų | 74.3 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -135.4 | 92.7 | 173.5 | -59.3 | -56.8 | 0 | 0 | 0 | 109.1 | P908 I912 D913 | P908-D910 PolarHBondContact O-N 3.39Å; D910-I912 PolarHBondContact O-N 2.89Å; D910-D913 PolarHBondContact O-N 2.96Å |
| 911 | G | 34.8 | Very low | 52.1 | Low | 40 Ų | 40 | 74.1 Ų | 74.1 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 137.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 912 | I | 36.3 | Very low | 55 | Low | 152 Ų | 152 | 70.5 Ų | 70.5 | 78% | 0.779 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.8 | -22.7 | -177.1 | -52.2 | 172.6 | 0 | 0 | 0 | 115.2 | D910 | D910-I912 PolarHBondContact O-N 2.89Š|
| 913 | D | 48.1 | Very low | 57.7 | Low | 63 Ų | 63 | 68.2 Ų | 68.2 | 34% | 0.337 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -77.7 | 132.5 | 171.9 | -86.2 | -4.9 | 0 | 0 | 0 | 111.1 | H703 D910 V915 | H703-D913 IonicContact CD2-OD2 2.62Å; H703-D913 PolarHBondContact CD2-OD2 3.13Å; H703-D913 IonicContact CG-OD2 3.91Å; D910-D913 PolarHBondContact O-N 2.96Å; D913-V915 PolarHBondContact O-N 3.37Å |
| 914 | S | 53.5 | Low | 59.9 | Low | 18 Ų | 18 | 68.6 Ų | 68.6 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 128.6 | 172.4 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | A659 G704 Y705 | A659-S914 WeakPolarHBondContact O-CB 3.48Å; G704-S914 WeakPolarHBondContact CA-O 2.93Å; G704-S914 PolarHBondContact N-O 3.45Å; Y705-S914 VanDerWaalsContact CD1-OG 3.25Å; Y705-S914 WeakPolarHBondContact CD1-OG 3.42Å; Y705-S914 WeakPolarHBondContact CE1-OG 3.45Å |
| 915 | V | 65.6 | Low | 62.3 | Low | 47 Ų | 47 | 67.5 Ų | 67.5 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 129.8 | 173.6 | 170.7 | 0 | 0 | 0 | 0 | 109.3 | T906 D913 S917 | T906-V915 WeakPolarHBondContact OG1-CG1 3.3Å; D913-V915 PolarHBondContact O-N 3.37Å; V915-S917 PolarHBondContact O-N 3.21Å |
| 916 | Y | 76.7 | Confident | 64.6 | Low | 53 Ų | 53 | 65.8 Ų | 65.8 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | trans | -78 | 108.5 | 172.1 | 177 | -109.2 | 0 | 0 | 0 | 109.8 | P663 Q667 G704 P707 A708 F918 | P663-Y916 HydrophobicContact CB-CD2 4.28Å; Q667-Y916 HydrophobicContact CG-CE2 4.35Å; Q667-Y916 PolarHBondContact OE1-OH 2.94Å; Q667-Y916 VanDerWaalsContact OE1-OH 3.08Å; G704-Y916 WeakPolarHBondContact O-CB 3.27Å; G704-Y916 WeakPolarHBondContact O-CD2 3.49Å; P707-Y916 HydrophobicContact CB-CD1 3.97Å; P707-Y916 HydrophobicContact CB-CD2 4.11Å; P707-Y916 HydrophobicContact CB-CE1 3.74Å; P707-Y916 HydrophobicContact CB-CE2 3.94Å; P707-Y916 HydrophobicContact CB-CG 4.14Å; P707-Y916 HydrophobicContact CG-CD1 3.97Å; P707-Y916 HydrophobicContact CG-CD2 4.3Å; P707-Y916 HydrophobicContact CG-CE1 4.25Å; P707-Y916 HydrophobicContact CG-CG 3.98Å; A708-Y916 HydrophobicContact CB-CD2 4.38Å; A708-Y916 HydrophobicContact CB-CE2 3.93Å; Y916-F918 HydrophobicContact CE1-CB 3.95Å; Y916-F918 WeakPolarHBondContact OH-CD2 3.36Å | ||
| 917 | S | 83.2 | Confident | 67.1 | Low | 8 Ų | 8 | 66.2 Ų | 66.2 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | trans | -102 | 118.8 | 168.4 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | Y664 Q667 V915 | Y664-S917 WeakPolarHBondContact OH-CB 3.02Å; Q667-S917 PolarHBondContact NE2-O 2.82Å; V915-S917 PolarHBondContact O-N 3.21Å | ||
| 918 | F | 89.9 | Confident | 69.6 | Low | 65 Ų | 65 | 62.7 Ų | 62.7 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | trans | -72.8 | 127.6 | 179.7 | 172 | -120.4 | 0 | 0 | 0 | 111.4 | H618 R711 Y916 V920 E923 | H618-F918 PolarHBondContact CE1-O 3.21Å; R711-F918 VanDerWaalsContact CZ-CE2 3.44Å; Y916-F918 HydrophobicContact CE1-CB 3.95Å; Y916-F918 WeakPolarHBondContact OH-CD2 3.36Å; F918-V920 HydrophobicContact CD1-CG2 4.42Å; F918-V920 HydrophobicContact CE1-CG2 4.31Å; F918-E923 HydrophobicContact CE2-CG 4.12Å; F918-E923 HydrophobicContact CZ-CG 3.73Å; F918-E923 WeakPolarHBondContact CZ-OE1 3.43Å | ||
| 919 | L | 93.3 | Very high | 71.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -85.4 | 108.1 | 171.8 | -65.8 | 176.9 | 0 | 0 | 0 | 110.1 | F621 E622 Y664 Q667 V668 H921 S922 | F621-L919 HydrophobicContact CB-CD1 3.83Å; F621-L919 HydrophobicContact CB-CD2 3.81Å; F621-L919 HydrophobicContact CB-CG 4.47Å; E622-L919 HydrophobicContact CG-CD2 3.83Å; E622-L919 VanDerWaalsContact OE1-CA 3.25Å; E622-L919 WeakPolarHBondContact OE1-CA 3.46Å; Y664-L919 HydrophobicContact CD1-CD1 3.85Å; Y664-L919 HydrophobicContact CD1-CD2 3.57Å; Y664-L919 HydrophobicContact CD1-CG 3.66Å; Y664-L919 HydrophobicContact CE1-CD2 3.63Å; Y664-L919 HydrophobicContact CE1-CG 4.07Å; Q667-L919 HydrophobicContact CB-CD1 3.93Å; Q667-L919 HydrophobicContact CB-CG 4.49Å; V668-L919 HydrophobicContact CG2-CD1 3.96Å; L919-H921 VanDerWaalsContact C-N 3.29Å; L919-H921 PolarHBondContact O-N 3Å; L919-S922 VanDerWaalsContact O-CB 3.28Å; L919-S922 WeakPolarHBondContact O-CB 3.38Å; L919-S922 PolarHBondContact O-N 3.29Å; L919-S922 PolarHBondContact O-OG 3.3Å | ||
| 920 | V | 88.9 | Confident | 73.6 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -56.7 | -45.1 | -179.3 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | E622 T898 F918 S922 E923 | E622-V920 PolarHBondContact OE1-N 3.11Å; T898-V920 VanDerWaalsContact O-CG1 3.3Å; T898-V920 WeakPolarHBondContact O-CG1 3.31Å; T898-V920 VanDerWaalsContact O-CG2 3.28Å; T898-V920 WeakPolarHBondContact O-CG2 3.49Å; F918-V920 HydrophobicContact CD1-CG2 4.42Å; F918-V920 HydrophobicContact CE1-CG2 4.31Å; V920-S922 PolarHBondContact O-N 3.33Å; V920-E923 PolarHBondContact O-N 3.1Å |
| 921 | H | 92 | Very high | 75 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 13% | 0.13 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -78.5 | 1.2 | -178.4 | -54.1 | 96.6 | 0 | 0 | 0 | 113.2 | E622 C625 M626 K629 L919 E923 | E622-H921 VanDerWaalsContact OE2-CB 3.27Å; E622-H921 WeakPolarHBondContact OE2-CB 3.3Å; E622-H921 IonicContact OE2-CE1 2.82Å; E622-H921 IonicContact OE2-CG 3.76Å; E622-H921 PolarHBondContact OE2-N 3.23Å; E622-H921 IonicContact OE2-ND1 2.82Å; E622-H921 PolarHBondContact OE2-ND1 3.14Å; C625-H921 HydrophobicContact CB-CB 3.74Å; M626-H921 HydrophobicContact CG-CB 3.96Å; M626-H921 HydrophobicContact SD-CB 3.74Å; M626-H921 PolarHBondContact SD-CD2 3.15Å; K629-H921 WeakPolarHBondContact CD-O 3.41Å; K629-H921 WeakPolarHBondContact CE-O 3.33Å; K629-H921 PolarHBondContact NZ-O 3.04Å; L919-H921 VanDerWaalsContact C-N 3.29Å; L919-H921 PolarHBondContact O-N 3Å; H921-E923 VanDerWaalsContact C-N 3.29Å |
| 922 | S | 92.9 | Very high | 76.5 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -76.1 | -14.3 | 170.6 | 76 | 0 | 0 | 0 | 0 | 113.7 | R711 L919 V920 | R711-S922 PolarHBondContact NH2-OG 3.14Å; L919-S922 VanDerWaalsContact O-CB 3.28Å; L919-S922 WeakPolarHBondContact O-CB 3.38Å; L919-S922 PolarHBondContact O-N 3.29Å; L919-S922 PolarHBondContact O-OG 3.3Å; V920-S922 PolarHBondContact O-N 3.33Å |
| 923 | E | 87.4 | Confident | 77.8 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | trans | -81.9 | 137.1 | 178.4 | -76.2 | -170.6 | 171.8 | 0 | 0 | 113.1 | K629 R711 F918 V920 H921 | K629-E923 WeakPolarHBondContact CE-O 3.21Å; K629-E923 PolarHBondContact NZ-O 3.01Å; R711-E923 IonicContact CZ-OE1 3.18Å; R711-E923 IonicContact NH1-OE1 3.6Å; R711-E923 PolarHBondContact NH1-OE1 3.25Å; R711-E923 IonicContact NH2-OE1 3.05Å; F918-E923 HydrophobicContact CE2-CG 4.12Å; F918-E923 HydrophobicContact CZ-CG 3.73Å; F918-E923 WeakPolarHBondContact CZ-OE1 3.43Å; V920-E923 PolarHBondContact O-N 3.1Å; H921-E923 VanDerWaalsContact C-N 3.29Å | ||
| 924 | V | 86 | Confident | 78.6 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 24% | 0.242 | 32% | 0.316 | C | S | . | . | trans | -126.6 | 138.1 | 172.6 | -164.3 | 0 | 0 | 0 | 0 | 107.3 | L671 M675 I926 | L671-V924 HydrophobicContact CD1-CG2 3.16Å; M675-V924 HydrophobicContact CG-CG2 4.43Å; M675-V924 HydrophobicContact SD-CG1 4.11Å; M675-V924 HydrophobicContact SD-CG2 3.95Å; V924-I926 WeakPolarHBondContact O-CG1 3.21Å; V924-I926 PolarHBondContact O-N 3.08Å | ||
| 925 | P | 81.8 | Confident | 79.9 | Confident | 132 Ų | 132 | 59.1 Ų | 59.1 | 86% | 0.857 | 33% | 0.329 | S | S | * | . | trans | -59.6 | 121.7 | 168.5 | -21.5 | 32.6 | 0 | 0 | 0 | 109.7 | ||||
| 926 | I | 83.5 | Confident | 80.8 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 18% | 0.179 | 32% | 0.318 | C | S | . | . | trans | -109.9 | 121.9 | 177.5 | -58.1 | 172.5 | 0 | 0 | 0 | 108 | N674 I677 W760 V924 H928 | N674-I926 HydrophobicContact CB-CD1 4.11Å; N674-I926 VanDerWaalsContact OD1-CD1 3.24Å; N674-I926 WeakPolarHBondContact OD1-CD1 3.41Å; I677-I926 HydrophobicContact CD1-CD1 3.95Å; I677-I926 HydrophobicContact CD1-CG1 4.31Å; I677-I926 HydrophobicContact CD1-CG2 4.02Å; I677-I926 HydrophobicContact CG2-CG2 4.26Å; W760-I926 HydrophobicContact CH2-CG2 3.55Å; W760-I926 HydrophobicContact CZ2-CG2 3.59Å; V924-I926 WeakPolarHBondContact O-CG1 3.21Å; V924-I926 PolarHBondContact O-N 3.08Å; I926-H928 PolarHBondContact O-CD2 2.9Å; I926-H928 PolarHBondContact O-N 2.9Å | ||
| 927 | A | 81.5 | Confident | 81.2 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 72% | 0.719 | 32% | 0.323 | S | S | * | . | trans | -68.9 | 117.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | W760 | W760-A927 WeakPolarHBondContact CH2-O 3.5Š| ||
| 928 | H | 83.2 | Confident | 81.4 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | trans | -73.2 | 146 | 178.7 | -75.8 | -100.7 | 0 | 0 | 0 | 111.6 | E759 I926 I930 Y932 | E759-H928 VanDerWaalsContact OE1-CB 3.23Å; E759-H928 WeakPolarHBondContact OE1-CB 3.4Å; E759-H928 IonicContact OE1-CE1 3.33Å; E759-H928 IonicContact OE1-CG 3.73Å; E759-H928 VanDerWaalsContact OE1-CG 3.3Å; E759-H928 IonicContact OE1-ND1 2.71Å; E759-H928 PolarHBondContact OE1-ND1 2.72Å; E759-H928 IonicContact OE2-CE1 3.54Å; E759-H928 PolarHBondContact OE2-CE1 2.67Å; E759-H928 IonicContact OE2-ND1 3.02Å; E759-H928 PolarHBondContact OE2-ND1 3.06Å; I926-H928 PolarHBondContact O-CD2 2.9Å; I926-H928 PolarHBondContact O-N 2.9Å; H928-I930 PolarHBondContact O-N 3.35Å; H928-Y932 HydrophobicContact CB-CD2 4.24Å; H928-Y932 HydrophobicContact CB-CE2 3.29Å; H928-Y932 WeakPolarHBondContact CB-OH 3.37Å; H928-Y932 AromaticContact CD2-CE2 3.61Å; H928-Y932 AromaticContact CG-CE2 3.35Å; H928-Y932 AromaticContact CG-CZ 3.82Å; H928-Y932 AromaticContact ND1-CE2 3.93Å; H928-Y932 PolarHBondContact ND1-OH 3.32Å | ||
| 929 | P | 76.8 | Confident | 81.2 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -59.8 | -30.8 | -179.1 | -25 | 35.1 | 0 | 0 | 0 | 113.6 | Y721 E759 W760 | Y721-P929 HydrophobicContact CD2-CG 4.26Å; Y721-P929 HydrophobicContact CE2-CB 3.96Å; Y721-P929 HydrophobicContact CE2-CG 3.69Å; E759-P929 HydrophobicContact CG-CG 4.22Å; E759-P929 WeakPolarHBondContact OE1-CD 3.28Å; W760-P929 HydrophobicContact CD2-CG 4.05Å; W760-P929 HydrophobicContact CE3-CG 3.95Å; W760-P929 HydrophobicContact CH2-CG 4.2Å; W760-P929 HydrophobicContact CZ2-CG 4.27Å; W760-P929 HydrophobicContact CZ3-CG 4.02Å |
| 930 | I | 71.7 | Confident | 80.9 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -96 | 102.7 | 173.7 | -53.9 | 176.4 | 0 | 0 | 0 | 106 | T802 V803 W845 H928 Y932 | T802-I930 HydrophobicContact CG2-CD1 4.34Å; T802-I930 HydrophobicContact CG2-CG2 4.5Å; V803-I930 HydrophobicContact CB-CD1 3.89Å; V803-I930 HydrophobicContact CG1-CD1 4.18Å; V803-I930 HydrophobicContact CG2-CD1 3.5Å; W845-I930 HydrophobicContact CH2-CD1 4.46Å; W845-I930 HydrophobicContact CZ3-CD1 4.49Å; H928-I930 PolarHBondContact O-N 3.35Å; I930-Y932 HydrophobicContact CB-CE1 4.4Å; I930-Y932 HydrophobicContact CG2-CE1 4.49Å; I930-Y932 WeakPolarHBondContact O-CE1 3.29Å; I930-Y932 PolarHBondContact O-N 2.88Å |
| 931 | G | 67.6 | Low | 81 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 130.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 932 | Y | 66.3 | Low | 80.9 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 126.2 | -179.8 | -55.4 | -60.7 | 0 | 0 | 0 | 111.3 | E759 L841 W845 L848 H928 I930 R934 | E759-Y932 PolarHBondContact OE1-OH 3.46Å; L841-Y932 HydrophobicContact CD1-CD2 4.45Å; L841-Y932 HydrophobicContact CD1-CE2 3.94Å; W845-Y932 HydrophobicContact CE3-CE1 4.33Å; W845-Y932 AromaticContact CH2-CE1 3.64Å; W845-Y932 HydrophobicContact CH2-CE1 3.64Å; W845-Y932 AromaticContact CH2-CZ 3.66Å; W845-Y932 WeakPolarHBondContact CH2-OH 3.49Å; W845-Y932 HydrophobicContact CZ2-CE1 4.05Å; W845-Y932 AromaticContact CZ2-CZ 3.73Å; W845-Y932 WeakPolarHBondContact CZ2-OH 3.14Å; W845-Y932 AromaticContact CZ3-CE1 3.78Å; W845-Y932 HydrophobicContact CZ3-CE1 3.78Å; L848-Y932 HydrophobicContact CD1-CD1 3.76Å; L848-Y932 HydrophobicContact CD1-CE1 4.11Å; H928-Y932 HydrophobicContact CB-CD2 4.24Å; H928-Y932 HydrophobicContact CB-CE2 3.29Å; H928-Y932 WeakPolarHBondContact CB-OH 3.37Å; H928-Y932 AromaticContact CD2-CE2 3.61Å; H928-Y932 AromaticContact CG-CE2 3.35Å; H928-Y932 AromaticContact CG-CZ 3.82Å; H928-Y932 AromaticContact ND1-CE2 3.93Å; H928-Y932 PolarHBondContact ND1-OH 3.32Å; I930-Y932 HydrophobicContact CB-CE1 4.4Å; I930-Y932 HydrophobicContact CG2-CE1 4.49Å; I930-Y932 WeakPolarHBondContact O-CE1 3.29Å; I930-Y932 PolarHBondContact O-N 2.88Å; Y932-R934 PolarHBondContact O-N 3.2Å |
| 933 | P | 63.5 | Low | 80.7 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -66 | 135.2 | 169.4 | -16.8 | 31.5 | 0 | 0 | 0 | 109.8 | N935 V939 | P933-N935 VanDerWaalsContact C-N 3.32Å; P933-N935 PolarHBondContact O-N 2.88Å; P933-V939 HydrophobicContact CB-CG2 3.43Å; P933-V939 VanDerWaalsContact CB-CG2 3.43Å; P933-V939 HydrophobicContact CG-CG2 3.47Å; P933-V939 VanDerWaalsContact CG-CG2 3.47Å |
| 934 | R | 64.7 | Low | 80.9 | Confident | 216 Ų | 216 | 57.9 Ų | 57.9 | 82% | 0.815 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -64.8 | -35.6 | -178.2 | -67.1 | -173.9 | -179.1 | -170.3 | -1.5 | 112.7 | Y932 | Y932-R934 PolarHBondContact O-N 3.2Š|
| 935 | N | 81.5 | Confident | 81.1 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | trans | -99 | 103.4 | -176.8 | -170.9 | -23.3 | 0 | 0 | 0 | 111.7 | P933 R937 T938 V939 | P933-N935 VanDerWaalsContact C-N 3.32Å; P933-N935 PolarHBondContact O-N 2.88Å; N935-R937 PolarHBondContact O-N 2.71Å; N935-R937 WeakPolarHBondContact OD1-CA 3.33Å; N935-R937 WeakPolarHBondContact OD1-CB 3.41Å; N935-R937 PolarHBondContact OD1-N 2.94Å; N935-T938 WeakPolarHBondContact CB-OG1 3.34Å; N935-T938 VanDerWaalsContact CG-OG1 3.23Å; N935-T938 PolarHBondContact ND2-OG1 3.13Å; N935-T938 WeakPolarHBondContact O-CB 3.07Å; N935-T938 PolarHBondContact O-N 3.35Å; N935-T938 PolarHBondContact OD1-N 3.19Å; N935-V939 WeakPolarHBondContact O-CG2 3.22Å; N935-V939 PolarHBondContact O-N 3.49Å; N935-V939 VanDerWaalsContact O-N 3.13Å | ||
| 936 | L | 84 | Confident | 81.6 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.3 | -34 | 177 | -65.7 | -179.8 | 0 | 0 | 0 | 113.4 | R843 R844 V847 T880 V939 A940 | R843-L936 HydrophobicContact CG-CD1 3.79Å; R844-L936 HydrophobicContact CB-CD2 4.18Å; R844-L936 HydrophobicContact CG-CD2 3.6Å; R844-L936 HydrophobicContact CG-CG 4.47Å; V847-L936 HydrophobicContact CB-CD2 4.14Å; V847-L936 HydrophobicContact CG1-CB 4.49Å; V847-L936 HydrophobicContact CG1-CD2 4.32Å; V847-L936 HydrophobicContact CG2-CD1 4.29Å; V847-L936 HydrophobicContact CG2-CD2 4.29Å; T880-L936 HydrophobicContact CG2-CB 4.33Å; L936-V939 PolarHBondContact O-N 3.1Å; L936-A940 PolarHBondContact O-N 2.73Å; L936-A940 VanDerWaalsContact O-N 3.08Å |
| 937 | R | 86.4 | Confident | 81.9 | Confident | 81 Ų | 81 | 56 Ų | 56 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | 177.7 | -168.7 | -178 | 172.5 | 153.9 | -0.9 | 111 | N935 S941 Q972 L973 | N935-R937 PolarHBondContact O-N 2.71Å; N935-R937 WeakPolarHBondContact OD1-CA 3.33Å; N935-R937 WeakPolarHBondContact OD1-CB 3.41Å; N935-R937 PolarHBondContact OD1-N 2.94Å; R937-S941 WeakPolarHBondContact O-CB 3.4Å; R937-S941 PolarHBondContact O-N 3.27Å; R937-Q972 VanDerWaalsContact NH2-CG 3.34Å; R937-Q972 PolarHBondContact NH2-O 3.02Å; R937-L973 HydrophobicContact CG-CD2 3.43Å; R937-L973 VanDerWaalsContact CG-CD2 3.43Å |
| 938 | T | 85.9 | Confident | 82.4 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 174.2 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | N935 S941 E942 | N935-T938 WeakPolarHBondContact CB-OG1 3.34Å; N935-T938 VanDerWaalsContact CG-OG1 3.23Å; N935-T938 PolarHBondContact ND2-OG1 3.13Å; N935-T938 WeakPolarHBondContact O-CB 3.07Å; N935-T938 PolarHBondContact O-N 3.35Å; N935-T938 PolarHBondContact OD1-N 3.19Å; T938-S941 PolarHBondContact O-N 2.82Å; T938-E942 HydrophobicContact CG2-CG 4.2Å; T938-E942 WeakPolarHBondContact CG2-OE1 3.49Å; T938-E942 WeakPolarHBondContact O-CB 3.33Å; T938-E942 WeakPolarHBondContact O-CG 3.45Å; T938-E942 PolarHBondContact O-N 3.17Å |
| 939 | V | 85.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.6 | -52.7 | 175.6 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | L848 P933 N935 L936 S941 E942 A943 | L848-V939 HydrophobicContact CD2-CG1 3.68Å; P933-V939 HydrophobicContact CB-CG2 3.43Å; P933-V939 VanDerWaalsContact CB-CG2 3.43Å; P933-V939 HydrophobicContact CG-CG2 3.47Å; P933-V939 VanDerWaalsContact CG-CG2 3.47Å; N935-V939 WeakPolarHBondContact O-CG2 3.22Å; N935-V939 PolarHBondContact O-N 3.49Å; N935-V939 VanDerWaalsContact O-N 3.13Å; L936-V939 PolarHBondContact O-N 3.1Å; V939-S941 VanDerWaalsContact C-N 3.32Å; V939-S941 PolarHBondContact O-N 3.31Å; V939-E942 PolarHBondContact O-N 2.69Å; V939-A943 WeakPolarHBondContact O-CB 3.25Å; V939-A943 PolarHBondContact O-N 3Å |
| 940 | A | 88.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M876 T880 L936 L944 L973 | M876-A940 HydrophobicContact CE-CB 4.07Å; M876-A940 HydrophobicContact CG-CB 4.21Å; M876-A940 HydrophobicContact SD-CB 3.83Å; T880-A940 HydrophobicContact CG2-CB 3.97Å; L936-A940 PolarHBondContact O-N 2.73Å; L936-A940 VanDerWaalsContact O-N 3.08Å; A940-L944 WeakPolarHBondContact O-CB 3.41Å; A940-L944 VanDerWaalsContact O-CG 3.28Å; A940-L944 WeakPolarHBondContact O-CG 3.37Å; A940-L944 PolarHBondContact O-N 3.04Å; A940-L973 HydrophobicContact CB-CD1 4.35Å |
| 941 | S | 90.2 | Very high | 84.1 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 112 | R937 T938 V939 A943 L944 K945 L973 | R937-S941 WeakPolarHBondContact O-CB 3.4Å; R937-S941 PolarHBondContact O-N 3.27Å; T938-S941 PolarHBondContact O-N 2.82Å; V939-S941 VanDerWaalsContact C-N 3.32Å; V939-S941 PolarHBondContact O-N 3.31Å; S941-A943 PolarHBondContact O-N 2.67Å; S941-L944 PolarHBondContact O-N 2.74Å; S941-K945 VanDerWaalsContact O-CB 3.25Å; S941-K945 WeakPolarHBondContact O-CB 3.3Å; S941-K945 VanDerWaalsContact O-CG 3.24Å; S941-K945 WeakPolarHBondContact O-CG 3.31Å; S941-K945 PolarHBondContact O-N 3.44Å; S941-K945 WeakPolarHBondContact OG-CE 3.36Å; S941-K945 PolarHBondContact OG-NZ 3.06Å; S941-L973 VanDerWaalsContact CB-O 3.24Å; S941-L973 WeakPolarHBondContact CB-O 3.35Å; S941-L973 PolarHBondContact OG-O 3.32Å |
| 942 | E | 89.5 | Confident | 85 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 58% | 0.575 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 179.8 | -75.2 | 179.1 | 179.1 | 0 | 0 | 111.8 | T938 V939 K945 R946 | T938-E942 HydrophobicContact CG2-CG 4.2Å; T938-E942 WeakPolarHBondContact CG2-OE1 3.49Å; T938-E942 WeakPolarHBondContact O-CB 3.33Å; T938-E942 WeakPolarHBondContact O-CG 3.45Å; T938-E942 PolarHBondContact O-N 3.17Å; V939-E942 PolarHBondContact O-N 2.69Å; E942-K945 PolarHBondContact O-N 2.9Å; E942-R946 WeakPolarHBondContact O-CB 3.38Å; E942-R946 PolarHBondContact O-N 2.94Å |
| 943 | A | 88.9 | Confident | 86 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V855 V939 S941 R946 L947 | V855-A943 HydrophobicContact CG2-CB 4Å; V855-A943 VanDerWaalsContact CG2-O 3.31Å; V855-A943 WeakPolarHBondContact CG2-O 3.48Å; V939-A943 WeakPolarHBondContact O-CB 3.25Å; V939-A943 PolarHBondContact O-N 3Å; S941-A943 PolarHBondContact O-N 2.67Å; A943-R946 WeakPolarHBondContact O-CB 3.25Å; A943-R946 PolarHBondContact O-N 3.36Å; A943-L947 PolarHBondContact O-N 3.31Å; A943-L947 VanDerWaalsContact O-N 3.1Å |
| 944 | L | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 178.2 | -68.3 | 178.2 | 0 | 0 | 0 | 112.6 | M876 A940 S941 R946 L947 N948 M955 L970 L973 L974 | M876-L944 HydrophobicContact CE-CD1 3.83Å; M876-L944 HydrophobicContact CE-CD2 4.18Å; M876-L944 HydrophobicContact CE-CG 4.04Å; A940-L944 WeakPolarHBondContact O-CB 3.41Å; A940-L944 VanDerWaalsContact O-CG 3.28Å; A940-L944 WeakPolarHBondContact O-CG 3.37Å; A940-L944 PolarHBondContact O-N 3.04Å; S941-L944 PolarHBondContact O-N 2.74Å; L944-R946 VanDerWaalsContact C-N 3.3Å; L944-R946 PolarHBondContact O-N 2.89Å; L944-L947 PolarHBondContact O-N 3.16Å; L944-N948 WeakPolarHBondContact O-CB 3.19Å; L944-N948 PolarHBondContact O-N 3.08Å; L944-M955 HydrophobicContact CB-CE 4.38Å; L944-M955 HydrophobicContact CD2-CE 3.88Å; L944-L970 HydrophobicContact CD1-CD2 3.71Å; L944-L973 HydrophobicContact CD1-CB 4.05Å; L944-L973 HydrophobicContact CD1-CD1 3.94Å; L944-L974 HydrophobicContact CB-CD2 3.91Å |
| 945 | K | 91.5 | Very high | 88.4 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62 | -39 | 174.4 | -79.2 | 172.4 | 173.3 | 170.6 | 0 | 111.1 | S941 E942 N948 R949 L974 S975 | S941-K945 VanDerWaalsContact O-CB 3.25Å; S941-K945 WeakPolarHBondContact O-CB 3.3Å; S941-K945 VanDerWaalsContact O-CG 3.24Å; S941-K945 WeakPolarHBondContact O-CG 3.31Å; S941-K945 PolarHBondContact O-N 3.44Å; S941-K945 WeakPolarHBondContact OG-CE 3.36Å; S941-K945 PolarHBondContact OG-NZ 3.06Å; E942-K945 PolarHBondContact O-N 2.9Å; K945-N948 PolarHBondContact O-N 2.72Å; K945-R949 VanDerWaalsContact O-CB 3.29Å; K945-R949 WeakPolarHBondContact O-CB 3.43Å; K945-R949 PolarHBondContact O-N 3.49Å; K945-L974 WeakPolarHBondContact CE-O 3.35Å; K945-L974 HydrophobicContact CG-CD2 4.28Å; K945-S975 WeakPolarHBondContact CE-O 2.99Å; K945-S975 PolarHBondContact NZ-O 3.03Å |
| 946 | R | 91.8 | Very high | 88.7 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.4 | -51.1 | 173.1 | -178 | -179.4 | 61.2 | 157.8 | -0.2 | 110.9 | V855 D856 E942 A943 L944 N948 R949 E950 | V855-R946 VanDerWaalsContact CG1-NH2 3.27Å; D856-R946 IonicContact OD1-CZ 3.7Å; D856-R946 IonicContact OD1-NH1 2.69Å; D856-R946 PolarHBondContact OD1-NH1 2.82Å; D856-R946 IonicContact OD1-NH2 3.68Å; D856-R946 PolarHBondContact OD1-NH2 3.32Å; D856-R946 IonicContact OD2-CZ 3.34Å; D856-R946 IonicContact OD2-NH1 3.4Å; D856-R946 IonicContact OD2-NH2 2.92Å; D856-R946 PolarHBondContact OD2-NH2 3.23Å; E942-R946 WeakPolarHBondContact O-CB 3.38Å; E942-R946 PolarHBondContact O-N 2.94Å; A943-R946 WeakPolarHBondContact O-CB 3.25Å; A943-R946 PolarHBondContact O-N 3.36Å; L944-R946 VanDerWaalsContact C-N 3.3Å; L944-R946 PolarHBondContact O-N 2.89Å; R946-N948 VanDerWaalsContact C-N 3.35Å; R946-N948 PolarHBondContact O-N 3.08Å; R946-R949 PolarHBondContact O-N 2.84Å; R946-E950 WeakPolarHBondContact CG-OE1 3.15Å; R946-E950 WeakPolarHBondContact O-CB 3.36Å; R946-E950 WeakPolarHBondContact O-CG 3.43Å; R946-E950 PolarHBondContact O-N 3.27Å |
| 947 | L | 89.9 | Confident | 88.9 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 176.9 | -175.2 | 60.3 | 0 | 0 | 0 | 112 | V855 A943 L944 R949 E950 Q951 M955 | V855-L947 HydrophobicContact CB-CB 4.44Å; V855-L947 HydrophobicContact CG1-CB 3.89Å; V855-L947 HydrophobicContact CG1-CD1 4.4Å; V855-L947 HydrophobicContact CG2-CB 4.11Å; V855-L947 HydrophobicContact CG2-CD2 4.44Å; A943-L947 PolarHBondContact O-N 3.31Å; A943-L947 VanDerWaalsContact O-N 3.1Å; L944-L947 PolarHBondContact O-N 3.16Å; L947-R949 VanDerWaalsContact C-N 3.34Å; L947-R949 PolarHBondContact O-N 3.28Å; L947-E950 PolarHBondContact O-N 3.3Å; L947-Q951 HydrophobicContact CD1-CB 4.4Å; L947-Q951 CarbonylContact O-C 3.6Å; L947-Q951 WeakPolarHBondContact O-CA 3.32Å; L947-Q951 PolarHBondContact O-N 3.43Å; L947-M955 HydrophobicContact CD2-SD 3.75Å; L947-M955 HydrophobicContact CG-SD 4.28Å |
| 948 | N | 90.9 | Very high | 89.1 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 179.6 | -172.6 | 40.7 | 0 | 0 | 0 | 112.2 | L944 K945 R946 S952 M955 L974 | L944-N948 WeakPolarHBondContact O-CB 3.19Å; L944-N948 PolarHBondContact O-N 3.08Å; K945-N948 PolarHBondContact O-N 2.72Å; R946-N948 VanDerWaalsContact C-N 3.35Å; R946-N948 PolarHBondContact O-N 3.08Å; N948-S952 WeakPolarHBondContact O-CA 3.41Å; N948-S952 WeakPolarHBondContact O-CB 3.4Å; N948-S952 PolarHBondContact O-N 3.39Å; N948-S952 VanDerWaalsContact O-N 3.12Å; N948-S952 PolarHBondContact OD1-OG 3.49Å; N948-S952 VanDerWaalsContact OD1-OG 3.14Å; N948-M955 HydrophobicContact CB-CB 4.39Å; N948-M955 HydrophobicContact CB-CG 4.07Å; N948-L974 HydrophobicContact CB-CD2 3.88Å |
| 949 | R | 89.9 | Confident | 89.2 | Confident | 197 Ų | 197 | 60.4 Ų | 60.4 | 74% | 0.743 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.7 | -41.5 | 176.3 | -175.7 | -176.7 | 66.3 | -175.1 | -0.8 | 111.9 | K945 R946 L947 | K945-R949 VanDerWaalsContact O-CB 3.29Å; K945-R949 WeakPolarHBondContact O-CB 3.43Å; K945-R949 PolarHBondContact O-N 3.49Å; R946-R949 PolarHBondContact O-N 2.84Å; L947-R949 VanDerWaalsContact C-N 3.34Å; L947-R949 PolarHBondContact O-N 3.28Å |
| 950 | E | 89.6 | Confident | 89.3 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -81.2 | -35.3 | -175.8 | -70.8 | 170.3 | -166.6 | 0 | 0 | 112.3 | R946 L947 | R946-E950 WeakPolarHBondContact CG-OE1 3.15Å; R946-E950 WeakPolarHBondContact O-CB 3.36Å; R946-E950 WeakPolarHBondContact O-CG 3.43Å; R946-E950 PolarHBondContact O-N 3.27Å; L947-E950 PolarHBondContact O-N 3.3Å |
| 951 | Q | 87.8 | Confident | 89.3 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | trans | -144.5 | 59.6 | -172.7 | -61.1 | -174 | -31.4 | 0 | 0 | 112.1 | L947 Q953 L954 M955 | L947-Q951 HydrophobicContact CD1-CB 4.4Å; L947-Q951 CarbonylContact O-C 3.6Å; L947-Q951 WeakPolarHBondContact O-CA 3.32Å; L947-Q951 PolarHBondContact O-N 3.43Å; Q951-Q953 VanDerWaalsContact C-N 3.33Å; Q951-Q953 PolarHBondContact O-N 2.82Å; Q951-L954 HydrophobicContact CB-CB 3.91Å; Q951-L954 HydrophobicContact CB-CD2 4.42Å; Q951-L954 WeakPolarHBondContact O-CB 3.32Å; Q951-L954 PolarHBondContact O-N 2.92Å; Q951-M955 PolarHBondContact O-N 3.33Å | ||
| 952 | S | 87.2 | Confident | 89.2 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 47% | 0.469 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.2 | -40.2 | -175.3 | -168.1 | 0 | 0 | 0 | 0 | 114.5 | N948 L954 M955 S956 | N948-S952 WeakPolarHBondContact O-CA 3.41Å; N948-S952 WeakPolarHBondContact O-CB 3.4Å; N948-S952 PolarHBondContact O-N 3.39Å; N948-S952 VanDerWaalsContact O-N 3.12Å; N948-S952 PolarHBondContact OD1-OG 3.49Å; N948-S952 VanDerWaalsContact OD1-OG 3.14Å; S952-L954 VanDerWaalsContact C-N 3.33Å; S952-L954 PolarHBondContact O-N 3.33Å; S952-M955 PolarHBondContact O-N 2.85Å; S952-S956 PolarHBondContact O-N 3.4Å |
| 953 | Q | 88.2 | Confident | 89.2 | Confident | 169 Ų | 169 | 64.3 Ų | 64.3 | 79% | 0.79 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 176.9 | -70.4 | -176.5 | -10.5 | 0 | 0 | 112.2 | Q951 S956 T957 | Q951-Q953 VanDerWaalsContact C-N 3.33Å; Q951-Q953 PolarHBondContact O-N 2.82Å; Q953-S956 PolarHBondContact O-N 3.39Å; Q953-T957 PolarHBondContact O-N 3.14Å; Q953-T957 PolarHBondContact O-OG1 2.96Å |
| 954 | L | 88.9 | Confident | 89.2 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67 | -45.3 | 176.7 | -172.4 | 64.3 | 0 | 0 | 0 | 110.4 | T861 Q951 S952 S956 T957 L958 | T861-L954 WeakPolarHBondContact O-CD1 3.24Å; Q951-L954 HydrophobicContact CB-CB 3.91Å; Q951-L954 HydrophobicContact CB-CD2 4.42Å; Q951-L954 WeakPolarHBondContact O-CB 3.32Å; Q951-L954 PolarHBondContact O-N 2.92Å; S952-L954 VanDerWaalsContact C-N 3.33Å; S952-L954 PolarHBondContact O-N 3.33Å; L954-S956 VanDerWaalsContact C-N 3.33Å; L954-S956 PolarHBondContact O-N 2.78Å; L954-T957 WeakPolarHBondContact O-CB 3.25Å; L954-T957 PolarHBondContact O-N 3.3Å; L954-L958 HydrophobicContact CD1-CD1 4.48Å; L954-L958 HydrophobicContact CD2-CD1 4.44Å; L954-L958 HydrophobicContact CG-CD1 3.91Å; L954-L958 HydrophobicContact CG-CG 4.4Å; L954-L958 WeakPolarHBondContact O-CG 3.18Å; L954-L958 PolarHBondContact O-N 3.24Å |
| 955 | M | 89.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 176.4 | -172.7 | 61.4 | -178 | 0 | 0 | 111.5 | W869 L944 L947 N948 Q951 S952 T957 L958 M959 L974 | W869-M955 HydrophobicContact CH2-CE 4.29Å; W869-M955 HydrophobicContact CH2-SD 4.42Å; W869-M955 HydrophobicContact CZ2-CE 4.35Å; W869-M955 HydrophobicContact CZ2-SD 4.13Å; L944-M955 HydrophobicContact CB-CE 4.38Å; L944-M955 HydrophobicContact CD2-CE 3.88Å; L947-M955 HydrophobicContact CD2-SD 3.75Å; L947-M955 HydrophobicContact CG-SD 4.28Å; N948-M955 HydrophobicContact CB-CB 4.39Å; N948-M955 HydrophobicContact CB-CG 4.07Å; Q951-M955 PolarHBondContact O-N 3.33Å; S952-M955 PolarHBondContact O-N 2.85Å; M955-T957 VanDerWaalsContact C-N 3.27Å; M955-T957 PolarHBondContact O-N 3.28Å; M955-L958 PolarHBondContact O-N 3.43Å; M955-M959 HydrophobicContact CE-CG 3.89Å; M955-M959 HydrophobicContact CE-SD 3.75Å; M955-M959 HydrophobicContact CG-CG 4.44Å; M955-M959 HydrophobicContact CG-SD 4.09Å; M955-M959 WeakPolarHBondContact O-CB 3.49Å; M955-M959 VanDerWaalsContact O-CG 3.25Å; M955-M959 WeakPolarHBondContact O-CG 3.3Å; M955-M959 PolarHBondContact O-N 3.29Å; M955-M959 HydrophobicContact SD-CG 4.38Å; M955-L974 HydrophobicContact CE-CD1 3.87Å; M955-L974 HydrophobicContact CE-CD2 4.37Å; M955-L974 HydrophobicContact CE-CG 4.39Å |
| 956 | S | 87.5 | Confident | 89 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 57% | 0.573 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.5 | -37.3 | 175.2 | -174 | 0 | 0 | 0 | 0 | 112.4 | S952 Q953 L954 G960 | S952-S956 PolarHBondContact O-N 3.4Å; Q953-S956 PolarHBondContact O-N 3.39Å; L954-S956 VanDerWaalsContact C-N 3.33Å; L954-S956 PolarHBondContact O-N 2.78Å; S956-G960 PolarHBondContact O-N 3.42Å |
| 957 | T | 89.5 | Confident | 88.9 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 55% | 0.546 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.2 | -47.9 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | Q953 L954 M955 G960 M961 | Q953-T957 PolarHBondContact O-N 3.14Å; Q953-T957 PolarHBondContact O-OG1 2.96Å; L954-T957 WeakPolarHBondContact O-CB 3.25Å; L954-T957 PolarHBondContact O-N 3.3Å; M955-T957 VanDerWaalsContact C-N 3.27Å; M955-T957 PolarHBondContact O-N 3.28Å; T957-G960 PolarHBondContact O-N 2.92Å; T957-G960 VanDerWaalsContact O-N 3.14Å; T957-M961 PolarHBondContact O-N 2.84Å |
| 958 | L | 89.4 | Confident | 88.8 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 179 | -69.5 | 168.2 | 0 | 0 | 0 | 111.9 | W869 L954 M955 G960 M961 | W869-L958 HydrophobicContact CB-CD2 4.03Å; W869-L958 HydrophobicContact CD2-CB 3.86Å; W869-L958 HydrophobicContact CD2-CD1 4.26Å; W869-L958 HydrophobicContact CD2-CD2 4.04Å; W869-L958 HydrophobicContact CD2-CG 4.28Å; W869-L958 HydrophobicContact CE3-CB 3.88Å; W869-L958 HydrophobicContact CG-CB 4.49Å; W869-L958 HydrophobicContact CG-CD1 4.32Å; W869-L958 HydrophobicContact CG-CD2 3.77Å; W869-L958 HydrophobicContact CG-CG 4.42Å; W869-L958 HydrophobicContact CH2-CB 4.04Å; W869-L958 HydrophobicContact CZ2-CB 4.01Å; W869-L958 HydrophobicContact CZ2-CD1 4.32Å; W869-L958 HydrophobicContact CZ3-CB 3.98Å; L954-L958 HydrophobicContact CD1-CD1 4.48Å; L954-L958 HydrophobicContact CD2-CD1 4.44Å; L954-L958 HydrophobicContact CG-CD1 3.91Å; L954-L958 HydrophobicContact CG-CG 4.4Å; L954-L958 WeakPolarHBondContact O-CG 3.18Å; L954-L958 PolarHBondContact O-N 3.24Å; M955-L958 PolarHBondContact O-N 3.43Å; L958-G960 VanDerWaalsContact C-N 3.3Å; L958-G960 PolarHBondContact O-N 3.33Å; L958-M961 HydrophobicContact CD2-SD 4.34Å; L958-M961 WeakPolarHBondContact O-CB 3.32Å; L958-M961 PolarHBondContact O-N 2.92Å |
| 959 | M | 87.8 | Confident | 88.8 | Confident | 21 Ų | 21 | 73.7 Ų | 73.7 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63 | -37 | 172.7 | -70.8 | -178.9 | 73.8 | 0 | 0 | 111.8 | W869 M955 M961 A962 Q967 L970 Q971 L974 | W869-M959 HydrophobicContact CH2-CG 4.41Å; M955-M959 HydrophobicContact CE-CG 3.89Å; M955-M959 HydrophobicContact CE-SD 3.75Å; M955-M959 HydrophobicContact CG-CG 4.44Å; M955-M959 HydrophobicContact CG-SD 4.09Å; M955-M959 WeakPolarHBondContact O-CB 3.49Å; M955-M959 VanDerWaalsContact O-CG 3.25Å; M955-M959 WeakPolarHBondContact O-CG 3.3Å; M955-M959 PolarHBondContact O-N 3.29Å; M955-M959 HydrophobicContact SD-CG 4.38Å; M959-M961 PolarHBondContact O-N 3.48Å; M959-A962 WeakPolarHBondContact O-CB 3.39Å; M959-A962 PolarHBondContact O-N 2.83Å; M959-Q967 VanDerWaalsContact O-CG 3.25Å; M959-Q967 WeakPolarHBondContact O-CG 3.3Å; M959-Q967 PolarHBondContact O-NE2 2.97Å; M959-L970 HydrophobicContact CE-CB 3.95Å; M959-L970 HydrophobicContact CG-CD1 4.4Å; M959-Q971 HydrophobicContact CE-CG 3.64Å; M959-L974 HydrophobicContact CE-CD1 4.14Å; M959-L974 HydrophobicContact SD-CD1 3.7Å |
| 960 | G | 87.9 | Confident | 88.8 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 56% | 0.557 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.4 | -21.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S956 T957 L958 | S956-G960 PolarHBondContact O-N 3.42Å; T957-G960 PolarHBondContact O-N 2.92Å; T957-G960 VanDerWaalsContact O-N 3.14Å; L958-G960 VanDerWaalsContact C-N 3.3Å; L958-G960 PolarHBondContact O-N 3.33Å |
| 961 | M | 88.6 | Confident | 88.7 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.7 | 175.2 | -61 | 172.4 | 66.1 | 0 | 0 | 113.2 | V870 T957 L958 M959 | V870-M961 HydrophobicContact CG2-CB 3.75Å; T957-M961 PolarHBondContact O-N 2.84Å; L958-M961 HydrophobicContact CD2-SD 4.34Å; L958-M961 WeakPolarHBondContact O-CB 3.32Å; L958-M961 PolarHBondContact O-N 2.92Å; M959-M961 PolarHBondContact O-N 3.48Å |
| 962 | A | 88.7 | Confident | 88.7 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -83.1 | 157.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V870 M959 L966 Q967 | V870-A962 HydrophobicContact CG1-CB 4.32Å; V870-A962 HydrophobicContact CG2-CB 4.22Å; M959-A962 WeakPolarHBondContact O-CB 3.39Å; M959-A962 PolarHBondContact O-N 2.83Å; A962-L966 HydrophobicContact CB-CB 4.16Å; A962-L966 HydrophobicContact CB-CD2 3.83Å; A962-L966 HydrophobicContact CB-CG 4.09Å; A962-Q967 HydrophobicContact CB-CG 4.05Å; A962-Q967 PolarHBondContact O-NE2 3.09Å; A962-Q967 VanDerWaalsContact O-NE2 3.14Å |
| 963 | D | 89.9 | Confident | 88.7 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | trans | -67.4 | 163 | 169.6 | 61 | 34 | 0 | 0 | 0 | 111.7 | K874 E965 L966 Q967 | K874-D963 IonicContact NZ-OD2 3.1Å; D963-E965 PolarHBondContact O-N 3.06Å; D963-E965 PolarHBondContact OD1-N 3.32Å; D963-L966 PolarHBondContact O-N 2.68Å; D963-L966 WeakPolarHBondContact OD1-CB 3.49Å; D963-L966 PolarHBondContact OD1-N 3.06Å; D963-Q967 WeakPolarHBondContact O-CB 3.46Å; D963-Q967 VanDerWaalsContact O-CG 3.31Å; D963-Q967 WeakPolarHBondContact O-CG 3.44Å; D963-Q967 PolarHBondContact O-N 2.8Å | ||
| 964 | L | 87.7 | Confident | 88.6 | Confident | 147 Ų | 147 | 55.4 Ų | 55.4 | 77% | 0.77 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.6 | -31.8 | -176.7 | -70.3 | 170.9 | 0 | 0 | 0 | 112.9 | A968 | L964-A968 PolarHBondContact O-N 3.04Å; L964-A968 VanDerWaalsContact O-N 3.13Å |
| 965 | E | 89 | Confident | 88.3 | Confident | 132 Ų | 132 | 59 Ų | 59 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.2 | -50.4 | 179.8 | -173.2 | -176.5 | 172.4 | 0 | 0 | 111.1 | D963 Q967 A968 Q969 | D963-E965 PolarHBondContact O-N 3.06Å; D963-E965 PolarHBondContact OD1-N 3.32Å; E965-Q967 VanDerWaalsContact C-N 3.33Å; E965-Q967 PolarHBondContact O-N 3.03Å; E965-A968 PolarHBondContact O-N 3.14Å; E965-Q969 WeakPolarHBondContact O-CG 3.5Å; E965-Q969 PolarHBondContact O-N 3.43Å; E965-Q969 VanDerWaalsContact O-N 3.09Å |
| 966 | L | 90.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 177.8 | -178.8 | 60.5 | 0 | 0 | 0 | 111.3 | V870 A873 K874 V877 A962 D963 A968 Q969 L970 | V870-L966 HydrophobicContact CG1-CD2 3.98Å; A873-L966 HydrophobicContact CB-CD2 4.41Å; K874-L966 HydrophobicContact CB-CD1 4.36Å; K874-L966 HydrophobicContact CB-CD2 4.02Å; V877-L966 HydrophobicContact CB-CD1 4.27Å; V877-L966 HydrophobicContact CG2-CD1 3.93Å; A962-L966 HydrophobicContact CB-CB 4.16Å; A962-L966 HydrophobicContact CB-CD2 3.83Å; A962-L966 HydrophobicContact CB-CG 4.09Å; D963-L966 PolarHBondContact O-N 2.68Å; D963-L966 WeakPolarHBondContact OD1-CB 3.49Å; D963-L966 PolarHBondContact OD1-N 3.06Å; L966-A968 VanDerWaalsContact C-N 3.33Å; L966-A968 PolarHBondContact O-N 3.33Å; L966-Q969 PolarHBondContact O-N 2.91Å; L966-L970 HydrophobicContact CD1-CD1 4.24Å; L966-L970 HydrophobicContact CD1-CG 4.08Å; L966-L970 HydrophobicContact CG-CD1 3.91Å; L966-L970 HydrophobicContact CG-CG 4.23Å; L966-L970 WeakPolarHBondContact O-CB 3.15Å; L966-L970 VanDerWaalsContact O-CG 3.27Å; L966-L970 WeakPolarHBondContact O-CG 3.29Å; L966-L970 PolarHBondContact O-N 3.43Å |
| 967 | Q | 89.1 | Confident | 88.3 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.5 | -46.8 | 172.7 | -77.2 | 179.1 | 0.2 | 0 | 0 | 111.6 | M959 A962 D963 E965 L970 Q971 | M959-Q967 VanDerWaalsContact O-CG 3.25Å; M959-Q967 WeakPolarHBondContact O-CG 3.3Å; M959-Q967 PolarHBondContact O-NE2 2.97Å; A962-Q967 HydrophobicContact CB-CG 4.05Å; A962-Q967 PolarHBondContact O-NE2 3.09Å; A962-Q967 VanDerWaalsContact O-NE2 3.14Å; D963-Q967 WeakPolarHBondContact O-CB 3.46Å; D963-Q967 VanDerWaalsContact O-CG 3.31Å; D963-Q967 WeakPolarHBondContact O-CG 3.44Å; D963-Q967 PolarHBondContact O-N 2.8Å; E965-Q967 VanDerWaalsContact C-N 3.33Å; E965-Q967 PolarHBondContact O-N 3.03Å; Q967-L970 PolarHBondContact O-N 3.18Å; Q967-Q971 WeakPolarHBondContact O-CB 3.5Å; Q967-Q971 VanDerWaalsContact O-CG 3.3Å; Q967-Q971 WeakPolarHBondContact O-CG 3.26Å; Q967-Q971 PolarHBondContact O-N 2.65Å |
| 968 | A | 88.3 | Confident | 88.3 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 45% | 0.446 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L964 E965 L966 Q971 Q972 | L964-A968 PolarHBondContact O-N 3.04Å; L964-A968 VanDerWaalsContact O-N 3.13Å; E965-A968 PolarHBondContact O-N 3.14Å; L966-A968 VanDerWaalsContact C-N 3.33Å; L966-A968 PolarHBondContact O-N 3.33Å; A968-Q971 PolarHBondContact O-N 3.33Å; A968-Q972 PolarHBondContact O-N 3.49Å |
| 969 | Q | 90 | Very high | 88.2 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 177.5 | -68.3 | 172.1 | -15.7 | 0 | 0 | 112.3 | V877 E965 L966 Q972 L973 | V877-Q969 HydrophobicContact CG1-CB 3.79Å; V877-Q969 HydrophobicContact CG1-CG 4.21Å; E965-Q969 WeakPolarHBondContact O-CG 3.5Å; E965-Q969 PolarHBondContact O-N 3.43Å; E965-Q969 VanDerWaalsContact O-N 3.09Å; L966-Q969 PolarHBondContact O-N 2.91Å; Q969-Q972 WeakPolarHBondContact O-CB 3.45Å; Q969-Q972 PolarHBondContact O-N 3.26Å; Q969-L973 PolarHBondContact O-N 2.89Å; Q969-L973 VanDerWaalsContact O-N 3.17Å |
| 970 | L | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 176 | -71.2 | 172.4 | 0 | 0 | 0 | 111.8 | W869 A873 V877 L944 M959 L966 Q967 Q972 L973 L974 | W869-L970 HydrophobicContact CH2-CD1 3.89Å; W869-L970 HydrophobicContact CZ3-CD1 4.02Å; A873-L970 HydrophobicContact CB-CD1 4.48Å; A873-L970 HydrophobicContact CB-CD2 4.49Å; V877-L970 HydrophobicContact CG2-CD2 3.86Å; V877-L970 HydrophobicContact CG2-CG 4.44Å; L944-L970 HydrophobicContact CD1-CD2 3.71Å; M959-L970 HydrophobicContact CE-CB 3.95Å; M959-L970 HydrophobicContact CG-CD1 4.4Å; L966-L970 HydrophobicContact CD1-CD1 4.24Å; L966-L970 HydrophobicContact CD1-CG 4.08Å; L966-L970 HydrophobicContact CG-CD1 3.91Å; L966-L970 HydrophobicContact CG-CG 4.23Å; L966-L970 WeakPolarHBondContact O-CB 3.15Å; L966-L970 VanDerWaalsContact O-CG 3.27Å; L966-L970 WeakPolarHBondContact O-CG 3.29Å; L966-L970 PolarHBondContact O-N 3.43Å; Q967-L970 PolarHBondContact O-N 3.18Å; L970-Q972 VanDerWaalsContact C-N 3.25Å; L970-Q972 PolarHBondContact O-N 2.91Å; L970-L973 PolarHBondContact O-N 2.94Å; L970-L973 VanDerWaalsContact O-N 3.1Å; L970-L974 WeakPolarHBondContact O-CG 3.43Å; L970-L974 PolarHBondContact O-N 2.93Å |
| 971 | Q | 88.3 | Confident | 88.3 | Confident | 120 Ų | 120 | 65.9 Ų | 65.9 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.3 | -38.9 | 171.8 | -76.7 | 179.5 | -3.8 | 0 | 0 | 111.4 | M959 Q967 A968 L973 L974 S975 | M959-Q971 HydrophobicContact CE-CG 3.64Å; Q967-Q971 WeakPolarHBondContact O-CB 3.5Å; Q967-Q971 VanDerWaalsContact O-CG 3.3Å; Q967-Q971 WeakPolarHBondContact O-CG 3.26Å; Q967-Q971 PolarHBondContact O-N 2.65Å; A968-Q971 PolarHBondContact O-N 3.33Å; Q971-L973 VanDerWaalsContact C-N 3.26Å; Q971-L973 PolarHBondContact O-N 3.23Å; Q971-L974 PolarHBondContact O-N 3.42Å; Q971-L974 VanDerWaalsContact O-N 3.14Å; Q971-S975 PolarHBondContact O-N 3.09Å; Q971-S975 PolarHBondContact O-OG 3.26Å |
| 972 | Q | 87.6 | Confident | 88.2 | Confident | 101 Ų | 101 | 63.6 Ų | 63.6 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.4 | -19.6 | 176.5 | -152.8 | -161.2 | 2.2 | 0 | 0 | 114.1 | R937 A968 Q969 L970 S975 | R937-Q972 VanDerWaalsContact NH2-CG 3.34Å; R937-Q972 PolarHBondContact NH2-O 3.02Å; A968-Q972 PolarHBondContact O-N 3.49Å; Q969-Q972 WeakPolarHBondContact O-CB 3.45Å; Q969-Q972 PolarHBondContact O-N 3.26Å; L970-Q972 VanDerWaalsContact C-N 3.25Å; L970-Q972 PolarHBondContact O-N 2.91Å; Q972-S975 WeakPolarHBondContact CA-OG 3.48Å; Q972-S975 PolarHBondContact O-OG 3.29Å; Q972-S975 VanDerWaalsContact O-OG 3.13Å |
| 973 | L | 87 | Confident | 88.2 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -86 | -29.6 | 169.9 | -69.7 | 175.8 | 0 | 0 | 0 | 111.5 | V877 R937 A940 S941 L944 Q969 L970 Q971 | V877-L973 HydrophobicContact CG2-CD1 3.97Å; R937-L973 HydrophobicContact CG-CD2 3.43Å; R937-L973 VanDerWaalsContact CG-CD2 3.43Å; A940-L973 HydrophobicContact CB-CD1 4.35Å; S941-L973 VanDerWaalsContact CB-O 3.24Å; S941-L973 WeakPolarHBondContact CB-O 3.35Å; S941-L973 PolarHBondContact OG-O 3.32Å; L944-L973 HydrophobicContact CD1-CB 4.05Å; L944-L973 HydrophobicContact CD1-CD1 3.94Å; Q969-L973 PolarHBondContact O-N 2.89Å; Q969-L973 VanDerWaalsContact O-N 3.17Å; L970-L973 PolarHBondContact O-N 2.94Å; L970-L973 VanDerWaalsContact O-N 3.1Å; Q971-L973 VanDerWaalsContact C-N 3.26Å; Q971-L973 PolarHBondContact O-N 3.23Å |
| 974 | L | 86.7 | Confident | 88.1 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 17% | 0.173 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.5 | -29.2 | 177.2 | -76 | 173 | 0 | 0 | 0 | 113.5 | L944 K945 N948 M955 M959 L970 Q971 | L944-L974 HydrophobicContact CB-CD2 3.91Å; K945-L974 WeakPolarHBondContact CE-O 3.35Å; K945-L974 HydrophobicContact CG-CD2 4.28Å; N948-L974 HydrophobicContact CB-CD2 3.88Å; M955-L974 HydrophobicContact CE-CD1 3.87Å; M955-L974 HydrophobicContact CE-CD2 4.37Å; M955-L974 HydrophobicContact CE-CG 4.39Å; M959-L974 HydrophobicContact CE-CD1 4.14Å; M959-L974 HydrophobicContact SD-CD1 3.7Å; L970-L974 WeakPolarHBondContact O-CG 3.43Å; L970-L974 PolarHBondContact O-N 2.93Å; Q971-L974 PolarHBondContact O-N 3.42Å; Q971-L974 VanDerWaalsContact O-N 3.14Å |
| 975 | S | 82.9 | Confident | 88.1 | Confident | 115 Ų | 115 | 60.2 Ų | 60.2 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | trans | -66.6 | 0 | 165 | 65.2 | 0 | 0 | 0 | 0 | 109.1 | K945 Q971 Q972 | K945-S975 WeakPolarHBondContact CE-O 2.99Å; K945-S975 PolarHBondContact NZ-O 3.03Å; Q971-S975 PolarHBondContact O-N 3.09Å; Q971-S975 PolarHBondContact O-OG 3.26Å; Q972-S975 WeakPolarHBondContact CA-OG 3.48Å; Q972-S975 PolarHBondContact O-OG 3.29Å; Q972-S975 VanDerWaalsContact O-OG 3.13Å |
Retrieved 975 of 975 residues in 843.2 ms
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