| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.5 | Very low | 71.9 | Confident | 211 Ų | 211 | 109.7 Ų | 109.7 | 100% | 1.039 | 56% | 0.558 | S | S | * | * | 0 | -42.8 | 0 | -89.2 | -178.9 | -172.3 | 0 | 0 | 113.3 | S3 V5 | M1-S3 PolarHBondContact O-N 3.36Å; M1-V5 WeakPolarHBondContact O-CG2 3.45Å; M1-V5 PolarHBondContact O-N 3.21Å | |||
| 2 | G | 65.6 | Low | 73.5 | Confident | 51 Ų | 51 | 111.1 Ų | 111.1 | 53% | 0.526 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.4 | -33.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | R6 | G2-R6 VanDerWaalsContact O-CG 3.29Å; G2-R6 WeakPolarHBondContact O-CG 3.22Å; G2-R6 PolarHBondContact O-N 2.68Å |
| 3 | S | 70.4 | Confident | 75.1 | Confident | 86 Ų | 86 | 104.5 Ų | 104.5 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.1 | -46.1 | -179.8 | 55 | 0 | 0 | 0 | 0 | 112.8 | M1 V5 R6 Q7 | M1-S3 PolarHBondContact O-N 3.36Å; S3-V5 PolarHBondContact O-N 2.98Å; S3-R6 PolarHBondContact O-N 2.86Å; S3-Q7 WeakPolarHBondContact O-CG 3.31Å; S3-Q7 PolarHBondContact O-N 3.26Å |
| 4 | Y | 64.4 | Low | 76.6 | Confident | 149 Ų | 149 | 97.2 Ų | 97.2 | 58% | 0.584 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | -178.4 | -174.3 | -105.6 | 0 | 0 | 0 | 112.5 | R6 Q7 L8 | Y4-R6 VanDerWaalsContact C-N 3.35Å; Y4-R6 PolarHBondContact O-N 3.06Å; Y4-Q7 PolarHBondContact O-N 2.88Å; Y4-L8 HydrophobicContact CD1-CD1 3.84Å; Y4-L8 HydrophobicContact CE1-CD1 3.42Å; Y4-L8 VanDerWaalsContact CE1-CD1 3.42Å; Y4-L8 HydrophobicContact CE1-CG 4.17Å; Y4-L8 PolarHBondContact O-N 3.16Å |
| 5 | V | 67.3 | Low | 77.7 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | M1 S3 L8 F9 | M1-V5 WeakPolarHBondContact O-CG2 3.45Å; M1-V5 PolarHBondContact O-N 3.21Å; S3-V5 PolarHBondContact O-N 2.98Å; V5-L8 PolarHBondContact O-N 3.32Å; V5-F9 HydrophobicContact CG1-CD2 3.69Å; V5-F9 HydrophobicContact CG1-CE2 3.31Å; V5-F9 HydrophobicContact CG1-CZ 4.38Å; V5-F9 WeakPolarHBondContact O-CD2 3.46Å; V5-F9 PolarHBondContact O-N 3.45Å |
| 6 | R | 71.6 | Confident | 78.7 | Confident | 200 Ų | 200 | 95.3 Ų | 95.3 | 76% | 0.755 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 174.7 | -78 | 179.8 | -175.7 | -171.4 | 1.6 | 112.6 | G2 S3 Y4 F9 A10 | G2-R6 VanDerWaalsContact O-CG 3.29Å; G2-R6 WeakPolarHBondContact O-CG 3.22Å; G2-R6 PolarHBondContact O-N 2.68Å; S3-R6 PolarHBondContact O-N 2.86Å; Y4-R6 VanDerWaalsContact C-N 3.35Å; Y4-R6 PolarHBondContact O-N 3.06Å; R6-F9 PolarHBondContact O-N 2.99Å; R6-A10 PolarHBondContact O-N 3.24Å |
| 7 | Q | 72.8 | Confident | 79.6 | Confident | 122 Ų | 122 | 89.7 Ų | 89.7 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.3 | -47.1 | 177.3 | -76 | 176.1 | -26.5 | 0 | 0 | 111.7 | S3 Y4 F9 A10 D11 | S3-Q7 WeakPolarHBondContact O-CG 3.31Å; S3-Q7 PolarHBondContact O-N 3.26Å; Y4-Q7 PolarHBondContact O-N 2.88Å; Q7-F9 VanDerWaalsContact C-N 3.33Å; Q7-F9 PolarHBondContact O-N 3.42Å; Q7-A10 WeakPolarHBondContact O-CB 3.37Å; Q7-A10 PolarHBondContact O-N 3.07Å; Q7-A10 VanDerWaalsContact O-N 3.07Å; Q7-D11 PolarHBondContact O-N 2.71Å |
| 8 | L | 74.9 | Confident | 80.4 | Confident | 72 Ų | 72 | 89.6 Ų | 89.6 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 176.5 | -75.8 | 170.3 | 0 | 0 | 0 | 112.6 | Y4 V5 A10 D11 E12 | Y4-L8 HydrophobicContact CD1-CD1 3.84Å; Y4-L8 HydrophobicContact CE1-CD1 3.42Å; Y4-L8 VanDerWaalsContact CE1-CD1 3.42Å; Y4-L8 HydrophobicContact CE1-CG 4.17Å; Y4-L8 PolarHBondContact O-N 3.16Å; V5-L8 PolarHBondContact O-N 3.32Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 2.79Å; L8-D11 PolarHBondContact O-N 3.39Å; L8-E12 WeakPolarHBondContact O-CG 3.43Å; L8-E12 PolarHBondContact O-N 3.35Å |
| 9 | F | 84 | Confident | 81 | Confident | 133 Ų | 133 | 90.5 Ų | 90.5 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.1 | -34.1 | 176.8 | -74.6 | -57.8 | 0 | 0 | 0 | 113 | V5 R6 Q7 F13 | V5-F9 HydrophobicContact CG1-CD2 3.69Å; V5-F9 HydrophobicContact CG1-CE2 3.31Å; V5-F9 HydrophobicContact CG1-CZ 4.38Å; V5-F9 WeakPolarHBondContact O-CD2 3.46Å; V5-F9 PolarHBondContact O-N 3.45Å; R6-F9 PolarHBondContact O-N 2.99Å; Q7-F9 VanDerWaalsContact C-N 3.33Å; Q7-F9 PolarHBondContact O-N 3.42Å; F9-F13 WeakPolarHBondContact O-CB 3.4Å; F9-F13 PolarHBondContact O-N 3.37Å; F9-F13 VanDerWaalsContact O-N 3.08Å |
| 10 | A | 85.5 | Confident | 81.5 | Confident | 24 Ų | 24 | 86.5 Ų | 86.5 | 20% | 0.198 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R6 Q7 L8 F13 W14 | R6-A10 PolarHBondContact O-N 3.24Å; Q7-A10 WeakPolarHBondContact O-CB 3.37Å; Q7-A10 PolarHBondContact O-N 3.07Å; Q7-A10 VanDerWaalsContact O-N 3.07Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 2.79Å; A10-F13 WeakPolarHBondContact O-CB 3.31Å; A10-F13 PolarHBondContact O-N 3.48Å; A10-W14 PolarHBondContact O-N 3.44Å |
| 11 | D | 88.6 | Confident | 82 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 178.7 | -67.9 | -19.8 | 0 | 0 | 0 | 111.7 | Q7 L8 F13 W14 N15 | Q7-D11 PolarHBondContact O-N 2.71Å; L8-D11 PolarHBondContact O-N 3.39Å; D11-F13 VanDerWaalsContact C-N 3.31Å; D11-F13 PolarHBondContact O-N 3.38Å; D11-W14 PolarHBondContact O-N 2.9Å; D11-N15 WeakPolarHBondContact O-CB 3.33Å; D11-N15 PolarHBondContact O-N 3.25Å; D11-N15 PolarHBondContact O-ND2 3.19Å; D11-N15 VanDerWaalsContact O-ND2 3.13Å |
| 12 | E | 91.9 | Very high | 84.2 | Confident | 126 Ų | 126 | 78.4 Ų | 78.4 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.2 | -41.6 | 173.5 | -74.4 | -179.5 | 178.7 | 0 | 0 | 111.9 | L8 N15 K16 | L8-E12 WeakPolarHBondContact O-CG 3.43Å; L8-E12 PolarHBondContact O-N 3.35Å; E12-N15 PolarHBondContact O-N 3.06Å; E12-K16 PolarHBondContact O-N 2.66Å |
| 13 | F | 94.7 | Very high | 85 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 11% | 0.114 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.5 | -50.1 | 175.9 | 171.9 | -94.7 | 0 | 0 | 0 | 111.7 | F9 A10 D11 N15 K16 I17 D33 N36 A37 L40 | F9-F13 WeakPolarHBondContact O-CB 3.4Å; F9-F13 PolarHBondContact O-N 3.37Å; F9-F13 VanDerWaalsContact O-N 3.08Å; A10-F13 WeakPolarHBondContact O-CB 3.31Å; A10-F13 PolarHBondContact O-N 3.48Å; D11-F13 VanDerWaalsContact C-N 3.31Å; D11-F13 PolarHBondContact O-N 3.38Å; F13-N15 VanDerWaalsContact C-N 3.29Å; F13-N15 PolarHBondContact O-N 3.2Å; F13-K16 WeakPolarHBondContact O-CA 3.33Å; F13-K16 VanDerWaalsContact O-CB 3.31Å; F13-K16 WeakPolarHBondContact O-CB 3.28Å; F13-K16 PolarHBondContact O-N 3.41Å; F13-I17 HydrophobicContact CD1-CG1 4.17Å; F13-I17 HydrophobicContact CE1-CD1 4.25Å; F13-I17 HydrophobicContact CE1-CG1 3.59Å; F13-I17 HydrophobicContact CE2-CD1 3.94Å; F13-I17 HydrophobicContact CE2-CG1 4.07Å; F13-I17 HydrophobicContact CZ-CD1 3.65Å; F13-I17 HydrophobicContact CZ-CG1 3.54Å; F13-I17 WeakPolarHBondContact O-CG1 3.35Å; F13-I17 PolarHBondContact O-N 2.87Å; F13-D33 WeakPolarHBondContact CZ-O 3.32Å; F13-N36 HydrophobicContact CE2-CB 3.76Å; F13-N36 HydrophobicContact CZ-CB 3.81Å; F13-A37 HydrophobicContact CE1-CB 3.96Å; F13-A37 HydrophobicContact CZ-CB 3.87Å; F13-L40 HydrophobicContact CD1-CD1 3.78Å; F13-L40 HydrophobicContact CE1-CD1 4.15Å; F13-L40 HydrophobicContact CG-CD1 4.09Å |
| 14 | W | 95.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 85 Ų | 85 | 1% | 0.008 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.9 | -33.5 | 179.4 | -73.2 | 113.6 | 0 | 0 | 0 | 112.2 | A10 D11 I17 R18 A37 L40 A41 H46 L49 I50 | A10-W14 PolarHBondContact O-N 3.44Å; D11-W14 PolarHBondContact O-N 2.9Å; W14-I17 HydrophobicContact CE3-CB 4.17Å; W14-I17 HydrophobicContact CE3-CG1 4.33Å; W14-I17 HydrophobicContact CE3-CG2 4.29Å; W14-I17 HydrophobicContact CZ3-CG2 4.31Å; W14-I17 PolarHBondContact O-N 3.43Å; W14-R18 WeakPolarHBondContact O-CG 3.42Å; W14-R18 PolarHBondContact O-N 3.08Å; W14-A37 HydrophobicContact CH2-CB 3.88Å; W14-A37 HydrophobicContact CZ3-CB 4.25Å; W14-L40 HydrophobicContact CZ2-CB 4.28Å; W14-A41 HydrophobicContact CH2-CB 4.42Å; W14-A41 HydrophobicContact CZ2-CB 4.29Å; W14-H46 AromaticContact CD1-CD2 3.94Å; W14-H46 AromaticContact CD1-CE1 3.6Å; W14-H46 AromaticContact CD1-NE2 3.42Å; W14-H46 AromaticContact CD2-CD2 3.65Å; W14-H46 AromaticContact CD2-CG 3.95Å; W14-H46 AromaticContact CD2-NE2 3.95Å; W14-H46 AromaticContact CE2-CD2 3.59Å; W14-H46 AromaticContact CE2-CE1 3.76Å; W14-H46 AromaticContact CE2-CG 3.45Å; W14-H46 VanDerWaalsContact CE2-CG 3.45Å; W14-H46 AromaticContact CE2-ND1 3.52Å; W14-H46 AromaticContact CE2-NE2 3.8Å; W14-H46 AromaticContact CG-CD2 3.92Å; W14-H46 AromaticContact CG-NE2 3.76Å; W14-H46 HydrophobicContact CH2-CB 3.56Å; W14-H46 AromaticContact CH2-CG 3.97Å; W14-H46 HydrophobicContact CZ2-CB 3.53Å; W14-H46 AromaticContact CZ2-CG 3.49Å; W14-H46 VanDerWaalsContact CZ2-CG 3.49Å; W14-H46 AromaticContact CZ2-ND1 3.67Å; W14-H46 HydrophobicContact CZ3-CB 4.07Å; W14-H46 AromaticContact NE1-CD2 3.77Å; W14-H46 AromaticContact NE1-CE1 3.23Å; W14-H46 PolarHBondContact NE1-CE1 3.12Å; W14-H46 AromaticContact NE1-CG 3.77Å; W14-H46 AromaticContact NE1-ND1 3.4Å; W14-H46 PolarHBondContact NE1-ND1 3.25Å; W14-H46 AromaticContact NE1-NE2 3.46Å; W14-H46 PolarHBondContact NE1-NE2 3.3Å; W14-L49 HydrophobicContact CE3-CB 4.43Å; W14-L49 HydrophobicContact CE3-CD1 3.61Å; W14-L49 HydrophobicContact CZ3-CB 3.96Å; W14-L49 HydrophobicContact CZ3-CD1 4Å; W14-I50 HydrophobicContact CH2-CD1 4.36Å; W14-I50 HydrophobicContact CH2-CG1 4.31Å |
| 15 | N | 93.4 | Very high | 86.3 | Confident | 74 Ų | 74 | 80 Ų | 80 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 168.8 | -75 | -30.3 | 0 | 0 | 0 | 111.2 | D11 E12 F13 I17 R18 H19 | D11-N15 WeakPolarHBondContact O-CB 3.33Å; D11-N15 PolarHBondContact O-N 3.25Å; D11-N15 PolarHBondContact O-ND2 3.19Å; D11-N15 VanDerWaalsContact O-ND2 3.13Å; E12-N15 PolarHBondContact O-N 3.06Å; F13-N15 VanDerWaalsContact C-N 3.29Å; F13-N15 PolarHBondContact O-N 3.2Å; N15-I17 VanDerWaalsContact C-N 3.33Å; N15-I17 PolarHBondContact O-N 3.12Å; N15-R18 PolarHBondContact O-N 3Å; N15-R18 PolarHBondContact OD1-NH1 3.36Å; N15-H19 PolarHBondContact O-N 3.43Å; N15-H19 VanDerWaalsContact O-N 3.13Å; N15-H19 PolarHBondContact O-ND1 2.83Å |
| 16 | K | 93.1 | Very high | 86.9 | Confident | 90 Ų | 90 | 84 Ų | 84 | 39% | 0.391 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 173.1 | 177.3 | -168.3 | 169.6 | -167.2 | 0 | 111.9 | E12 F13 H19 D33 | E12-K16 PolarHBondContact O-N 2.66Å; F13-K16 WeakPolarHBondContact O-CA 3.33Å; F13-K16 VanDerWaalsContact O-CB 3.31Å; F13-K16 WeakPolarHBondContact O-CB 3.28Å; F13-K16 PolarHBondContact O-N 3.41Å; K16-H19 WeakPolarHBondContact O-CB 3.44Å; K16-H19 PolarHBondContact O-N 3.33Å; K16-D33 IonicContact NZ-OD1 3.67Å; K16-D33 PolarHBondContact NZ-OD1 3.23Å; K16-D33 IonicContact NZ-OD2 3.67Å; K16-D33 PolarHBondContact NZ-OD2 3.2Å |
| 17 | I | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 178.4 | -62.1 | -52.7 | 0 | 0 | 0 | 111.5 | F13 W14 N15 H19 Y20 F21 D33 L49 M53 | F13-I17 HydrophobicContact CD1-CG1 4.17Å; F13-I17 HydrophobicContact CE1-CD1 4.25Å; F13-I17 HydrophobicContact CE1-CG1 3.59Å; F13-I17 HydrophobicContact CE2-CD1 3.94Å; F13-I17 HydrophobicContact CE2-CG1 4.07Å; F13-I17 HydrophobicContact CZ-CD1 3.65Å; F13-I17 HydrophobicContact CZ-CG1 3.54Å; F13-I17 WeakPolarHBondContact O-CG1 3.35Å; F13-I17 PolarHBondContact O-N 2.87Å; W14-I17 HydrophobicContact CE3-CB 4.17Å; W14-I17 HydrophobicContact CE3-CG1 4.33Å; W14-I17 HydrophobicContact CE3-CG2 4.29Å; W14-I17 HydrophobicContact CZ3-CG2 4.31Å; W14-I17 PolarHBondContact O-N 3.43Å; N15-I17 VanDerWaalsContact C-N 3.33Å; N15-I17 PolarHBondContact O-N 3.12Å; I17-H19 PolarHBondContact O-N 2.98Å; I17-Y20 HydrophobicContact CD1-CD2 4.19Å; I17-Y20 HydrophobicContact CD1-CE2 3.96Å; I17-Y20 VanDerWaalsContact O-CB 3.31Å; I17-Y20 WeakPolarHBondContact O-CB 3.28Å; I17-Y20 PolarHBondContact O-N 2.99Å; I17-F21 HydrophobicContact CG2-CE2 4.14Å; I17-F21 WeakPolarHBondContact O-CD2 3.01Å; I17-D33 HydrophobicContact CD1-CB 4.3Å; I17-L49 HydrophobicContact CG2-CB 4.31Å; I17-L49 HydrophobicContact CG2-CD1 4.41Å; I17-M53 HydrophobicContact CD1-CE 3.99Å; I17-M53 HydrophobicContact CD1-SD 4.37Å; I17-M53 HydrophobicContact CG2-CG 4.35Å; I17-M53 HydrophobicContact CG2-SD 3.69Å |
| 18 | R | 94.5 | Very high | 88.5 | Confident | 87 Ų | 87 | 75.2 Ų | 75.2 | 33% | 0.328 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.6 | -36.6 | 174.4 | -70.7 | 178.1 | -170.2 | 118.1 | -0 | 111.9 | W14 N15 Y20 F21 E45 L49 | W14-R18 WeakPolarHBondContact O-CG 3.42Å; W14-R18 PolarHBondContact O-N 3.08Å; N15-R18 PolarHBondContact O-N 3Å; N15-R18 PolarHBondContact OD1-NH1 3.36Å; R18-Y20 PolarHBondContact O-N 3.06Å; R18-F21 PolarHBondContact O-N 3.35Å; R18-E45 IonicContact CZ-OE2 3.82Å; R18-E45 VanDerWaalsContact NH2-CD 3.25Å; R18-E45 IonicContact NH2-OE1 3.21Å; R18-E45 PolarHBondContact NH2-OE1 2.89Å; R18-E45 IonicContact NH2-OE2 2.73Å; R18-E45 PolarHBondContact NH2-OE2 2.69Å; R18-L49 HydrophobicContact CG-CD1 3.9Å; R18-L49 HydrophobicContact CG-CD2 4.22Å |
| 19 | H | 91.5 | Very high | 89.2 | Confident | 108 Ų | 108 | 72.1 Ų | 72.1 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -28.6 | 177.6 | -76.4 | 79 | 0 | 0 | 0 | 113.2 | N15 K16 I17 F21 L22 N25 | N15-H19 PolarHBondContact O-N 3.43Å; N15-H19 VanDerWaalsContact O-N 3.13Å; N15-H19 PolarHBondContact O-ND1 2.83Å; K16-H19 WeakPolarHBondContact O-CB 3.44Å; K16-H19 PolarHBondContact O-N 3.33Å; I17-H19 PolarHBondContact O-N 2.98Å; H19-F21 PolarHBondContact O-N 3.49Å; H19-L22 HydrophobicContact CB-CD1 4.27Å; H19-L22 PolarHBondContact O-N 3.46Å; H19-N25 PolarHBondContact O-ND2 3.44Å |
| 20 | Y | 91.3 | Very high | 89.6 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 4% | 0.039 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -37.7 | 174.5 | -68.9 | -15.3 | 0 | 0 | 0 | 111.3 | I17 R18 L27 I29 D33 R56 | I17-Y20 HydrophobicContact CD1-CD2 4.19Å; I17-Y20 HydrophobicContact CD1-CE2 3.96Å; I17-Y20 VanDerWaalsContact O-CB 3.31Å; I17-Y20 WeakPolarHBondContact O-CB 3.28Å; I17-Y20 PolarHBondContact O-N 2.99Å; R18-Y20 PolarHBondContact O-N 3.06Å; Y20-L27 HydrophobicContact CD1-CB 3.97Å; Y20-L27 HydrophobicContact CD1-CD1 3.7Å; Y20-L27 HydrophobicContact CD1-CG 4.49Å; Y20-L27 HydrophobicContact CE1-CB 4.26Å; Y20-L27 HydrophobicContact CE1-CD1 3.88Å; Y20-I29 HydrophobicContact CD2-CD1 3.25Å; Y20-I29 HydrophobicContact CE2-CD1 3.83Å; Y20-I29 HydrophobicContact CG-CD1 3.99Å; Y20-D33 HydrophobicContact CE2-CB 4.44Å; Y20-D33 PolarHBondContact OH-OD2 3.46Å; Y20-R56 PolarHBondContact O-NH1 3.28Å |
| 21 | F | 91.7 | Very high | 89.9 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 17% | 0.171 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 9.7 | -173.3 | -56 | -77.6 | 0 | 0 | 0 | 114.1 | I17 R18 H19 I29 L49 Q52 M53 R56 | I17-F21 HydrophobicContact CG2-CE2 4.14Å; I17-F21 WeakPolarHBondContact O-CD2 3.01Å; R18-F21 PolarHBondContact O-N 3.35Å; H19-F21 PolarHBondContact O-N 3.49Å; F21-I29 HydrophobicContact CZ-CD1 4.16Å; F21-L49 HydrophobicContact CD2-CD2 4.13Å; F21-L49 HydrophobicContact CE2-CD2 4.44Å; F21-Q52 HydrophobicContact CD1-CB 3.96Å; F21-Q52 HydrophobicContact CE1-CB 3.53Å; F21-Q52 HydrophobicContact CE2-CB 4.19Å; F21-Q52 HydrophobicContact CG-CB 4.48Å; F21-Q52 HydrophobicContact CZ-CB 3.66Å; F21-M53 HydrophobicContact CE2-CG 3.87Å; F21-M53 HydrophobicContact CZ-CB 4.35Å; F21-M53 HydrophobicContact CZ-CG 3.63Å; F21-R56 HydrophobicContact CE1-CB 4.29Å |
| 22 | L | 90.4 | Very high | 90.1 | Very high | 88 Ų | 88 | 74 Ų | 74 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -61 | 148.1 | 171.7 | -71.6 | 172.6 | 0 | 0 | 0 | 111.3 | H19 N24 N25 | H19-L22 HydrophobicContact CB-CD1 4.27Å; H19-L22 PolarHBondContact O-N 3.46Å; L22-N24 PolarHBondContact O-N 3.44Å; L22-N25 HydrophobicContact CB-CB 4.46Å; L22-N25 VanDerWaalsContact O-CB 3.26Å; L22-N25 WeakPolarHBondContact O-CB 3.32Å; L22-N25 PolarHBondContact O-N 3.33Å; L22-N25 VanDerWaalsContact O-N 3.16Å |
| 23 | P | 84.3 | Confident | 90.2 | Very high | 111 Ų | 111 | 68.9 Ų | 68.9 | 72% | 0.721 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 140.5 | 174.3 | -24.7 | 33.4 | 0 | 0 | 0 | 111.6 | N25 | P23-N25 PolarHBondContact O-N 3.46Š|
| 24 | N | 80.5 | Confident | 90.2 | Very high | 166 Ų | 166 | 67.6 Ų | 67.6 | 89% | 0.888 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 9.9 | -178.7 | -49 | -43.8 | 0 | 0 | 0 | 115.9 | L22 | L22-N24 PolarHBondContact O-N 3.44Š|
| 25 | N | 80.1 | Confident | 90.2 | Very high | 43 Ų | 43 | 70.5 Ų | 70.5 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | trans | -92.3 | 119.1 | 176.3 | -161.4 | -14.6 | 0 | 0 | 0 | 112.3 | H19 L22 P23 L27 | H19-N25 PolarHBondContact O-ND2 3.44Å; L22-N25 HydrophobicContact CB-CB 4.46Å; L22-N25 VanDerWaalsContact O-CB 3.26Å; L22-N25 WeakPolarHBondContact O-CB 3.32Å; L22-N25 PolarHBondContact O-N 3.33Å; L22-N25 VanDerWaalsContact O-N 3.16Å; P23-N25 PolarHBondContact O-N 3.46Å; N25-L27 VanDerWaalsContact ND2-CD1 3.3Å; N25-L27 WeakPolarHBondContact ND2-CD1 3.33Å; N25-L27 WeakPolarHBondContact OD1-CB 3.45Å; N25-L27 WeakPolarHBondContact OD1-CG 3.49Å; N25-L27 PolarHBondContact OD1-N 2.84Å | ||
| 26 | N | 80.6 | Confident | 90.3 | Very high | 153 Ų | 153 | 70.4 Ų | 70.4 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | trans | -102.7 | 19.2 | 177.6 | -70.2 | -26.4 | 0 | 0 | 0 | 113.1 | L28 | N26-L28 PolarHBondContact O-N 3.02Š| ||
| 27 | L | 87.6 | Confident | 90.4 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 39% | 0.387 | 33% | 0.332 | S | S | . | . | trans | -56.5 | 137.5 | -179.7 | -79.9 | 173 | 0 | 0 | 0 | 111.9 | Y20 N25 Q60 | Y20-L27 HydrophobicContact CD1-CB 3.97Å; Y20-L27 HydrophobicContact CD1-CD1 3.7Å; Y20-L27 HydrophobicContact CD1-CG 4.49Å; Y20-L27 HydrophobicContact CE1-CB 4.26Å; Y20-L27 HydrophobicContact CE1-CD1 3.88Å; N25-L27 VanDerWaalsContact ND2-CD1 3.3Å; N25-L27 WeakPolarHBondContact ND2-CD1 3.33Å; N25-L27 WeakPolarHBondContact OD1-CB 3.45Å; N25-L27 WeakPolarHBondContact OD1-CG 3.49Å; N25-L27 PolarHBondContact OD1-N 2.84Å; L27-Q60 PolarHBondContact O-NE2 3.1Å | ||
| 28 | L | 89.5 | Confident | 90.5 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | trans | -74 | 142.2 | 175.2 | -62.9 | 177.7 | 0 | 0 | 0 | 110.4 | N26 Y30 Q60 L64 | N26-L28 PolarHBondContact O-N 3.02Å; L28-Y30 PolarHBondContact O-N 3.22Å; L28-Q60 HydrophobicContact CD2-CG 3.84Å; L28-L64 HydrophobicContact CD2-CD1 4.38Å | ||
| 29 | I | 91.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | trans | -82.2 | 107.9 | 172 | -59.2 | -60.2 | 0 | 0 | 0 | 107 | Y20 F21 F34 M53 R56 Y57 | Y20-I29 HydrophobicContact CD2-CD1 3.25Å; Y20-I29 HydrophobicContact CE2-CD1 3.83Å; Y20-I29 HydrophobicContact CG-CD1 3.99Å; F21-I29 HydrophobicContact CZ-CD1 4.16Å; I29-F34 HydrophobicContact CG2-CB 3.97Å; I29-F34 HydrophobicContact CG2-CD1 4.24Å; I29-F34 HydrophobicContact CG2-CG 4.25Å; I29-M53 HydrophobicContact CD1-CE 4.47Å; I29-M53 HydrophobicContact CD1-CG 4.34Å; I29-M53 HydrophobicContact CG2-CE 3.68Å; I29-R56 HydrophobicContact CG1-CB 4.11Å; I29-R56 HydrophobicContact CG1-CG 3.82Å; I29-Y57 HydrophobicContact CB-CD2 4.02Å; I29-Y57 HydrophobicContact CG2-CD2 3.88Å | ||
| 30 | Y | 91.2 | Very high | 90.6 | Very high | 136 Ų | 136 | 65.4 Ų | 65.4 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | trans | -72.3 | 140.5 | 175.9 | -66.8 | -76.9 | 0 | 0 | 0 | 110.9 | L28 E32 D33 F34 | L28-Y30 PolarHBondContact O-N 3.22Å; Y30-E32 VanDerWaalsContact C-N 3.26Å; Y30-E32 PolarHBondContact O-N 3.39Å; Y30-D33 PolarHBondContact O-N 2.93Å; Y30-D33 VanDerWaalsContact O-N 3.14Å; Y30-F34 PolarHBondContact O-N 3.31Å | ||
| 31 | T | 92.3 | Very high | 90.7 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 27% | 0.27 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54 | -40.7 | 179.4 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | F34 K35 Y57 Y69 F71 | T31-F34 PolarHBondContact O-N 2.87Å; T31-K35 HydrophobicContact CG2-CD 4.43Å; T31-K35 WeakPolarHBondContact O-CG 3.49Å; T31-K35 PolarHBondContact O-N 3.43Å; T31-Y57 PolarHBondContact OG1-OH 3.26Å; T31-Y69 HydrophobicContact CG2-CG 4.1Å; T31-F71 HydrophobicContact CG2-CE2 4.1Å; T31-F71 HydrophobicContact CG2-CZ 4.14Å; T31-F71 WeakPolarHBondContact O-CZ 3.14Å |
| 32 | E | 92.9 | Very high | 90.7 | Very high | 108 Ų | 108 | 71.3 Ų | 71.3 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | 179.7 | -64.7 | -52.4 | 121.4 | 0 | 0 | 112.4 | Y30 F34 K35 N36 | Y30-E32 VanDerWaalsContact C-N 3.26Å; Y30-E32 PolarHBondContact O-N 3.39Å; E32-F34 VanDerWaalsContact C-N 3.26Å; E32-F34 PolarHBondContact O-N 2.88Å; E32-K35 PolarHBondContact O-N 3.24Å; E32-K35 IonicContact OE1-NZ 2.69Å; E32-K35 PolarHBondContact OE1-NZ 3.44Å; E32-K35 IonicContact OE2-NZ 2.67Å; E32-N36 WeakPolarHBondContact O-CB 3.49Å; E32-N36 VanDerWaalsContact O-CG 3.22Å; E32-N36 PolarHBondContact O-N 3.11Å; E32-N36 PolarHBondContact O-ND2 3.29Å |
| 33 | D | 94.2 | Very high | 90.9 | Very high | 18 Ų | 18 | 71.6 Ų | 71.6 | 10% | 0.096 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 174.2 | -75.3 | -42.5 | 0 | 0 | 0 | 110.9 | F13 K16 I17 Y20 Y30 N36 A37 | F13-D33 WeakPolarHBondContact CZ-O 3.32Å; K16-D33 IonicContact NZ-OD1 3.67Å; K16-D33 PolarHBondContact NZ-OD1 3.23Å; K16-D33 IonicContact NZ-OD2 3.67Å; K16-D33 PolarHBondContact NZ-OD2 3.2Å; I17-D33 HydrophobicContact CD1-CB 4.3Å; Y20-D33 HydrophobicContact CE2-CB 4.44Å; Y20-D33 PolarHBondContact OH-OD2 3.46Å; Y30-D33 PolarHBondContact O-N 2.93Å; Y30-D33 VanDerWaalsContact O-N 3.14Å; D33-N36 PolarHBondContact O-N 3.31Å; D33-A37 WeakPolarHBondContact O-CB 3.2Å; D33-A37 PolarHBondContact O-N 3.02Å |
| 34 | F | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71 | -39.6 | 177.6 | -161.4 | -175.1 | 0 | 0 | 0 | 112.8 | I29 Y30 T31 E32 N36 A37 V38 I50 M53 C54 Y57 F71 I75 F100 | I29-F34 HydrophobicContact CG2-CB 3.97Å; I29-F34 HydrophobicContact CG2-CD1 4.24Å; I29-F34 HydrophobicContact CG2-CG 4.25Å; Y30-F34 PolarHBondContact O-N 3.31Å; T31-F34 PolarHBondContact O-N 2.87Å; E32-F34 VanDerWaalsContact C-N 3.26Å; E32-F34 PolarHBondContact O-N 2.88Å; F34-N36 VanDerWaalsContact C-N 3.32Å; F34-N36 PolarHBondContact O-N 3.45Å; F34-A37 PolarHBondContact O-N 3.34Å; F34-V38 HydrophobicContact CD2-CG2 4.16Å; F34-V38 HydrophobicContact CE2-CG2 4.19Å; F34-V38 WeakPolarHBondContact O-CG2 3.36Å; F34-V38 PolarHBondContact O-N 2.79Å; F34-I50 HydrophobicContact CE2-CG2 4.36Å; F34-M53 HydrophobicContact CB-CE 3.83Å; F34-M53 HydrophobicContact CD2-CB 3.95Å; F34-M53 HydrophobicContact CD2-CE 3.75Å; F34-M53 HydrophobicContact CD2-SD 4.06Å; F34-M53 HydrophobicContact CE1-CB 4.43Å; F34-M53 HydrophobicContact CE2-CB 3.6Å; F34-M53 HydrophobicContact CE2-SD 4.42Å; F34-M53 HydrophobicContact CG-CE 3.97Å; F34-M53 HydrophobicContact CZ-CB 3.86Å; F34-C54 HydrophobicContact CZ-CB 4.4Å; F34-Y57 HydrophobicContact CD1-CD1 4.22Å; F34-Y57 AromaticContact CD1-CD2 3.98Å; F34-Y57 HydrophobicContact CD1-CD2 3.98Å; F34-Y57 HydrophobicContact CD1-CE2 4.38Å; F34-Y57 AromaticContact CD1-CG 3.86Å; F34-Y57 HydrophobicContact CD1-CG 3.86Å; F34-Y57 HydrophobicContact CE1-CD1 4.13Å; F34-Y57 AromaticContact CE1-CG 3.95Å; F34-Y57 HydrophobicContact CE1-CG 3.95Å; F34-F71 HydrophobicContact CB-CE1 3.89Å; F34-F71 HydrophobicContact CB-CE2 4.07Å; F34-F71 HydrophobicContact CB-CZ 3.54Å; F34-F71 AromaticContact CD1-CD1 3.87Å; F34-F71 HydrophobicContact CD1-CD1 3.87Å; F34-F71 AromaticContact CD1-CD2 3.56Å; F34-F71 HydrophobicContact CD1-CD2 3.56Å; F34-F71 AromaticContact CD1-CE1 3.85Å; F34-F71 HydrophobicContact CD1-CE1 3.85Å; F34-F71 AromaticContact CD1-CE2 3.53Å; F34-F71 HydrophobicContact CD1-CE2 3.53Å; F34-F71 AromaticContact CD1-CG 3.74Å; F34-F71 HydrophobicContact CD1-CG 3.74Å; F34-F71 AromaticContact CD1-CZ 3.69Å; F34-F71 HydrophobicContact CD1-CZ 3.69Å; F34-F71 HydrophobicContact CD2-CD1 4.44Å; F34-F71 HydrophobicContact CD2-CE1 4.27Å; F34-F71 HydrophobicContact CE1-CB 4.14Å; F34-F71 HydrophobicContact CE1-CD1 4.07Å; F34-F71 AromaticContact CE1-CD2 3.88Å; F34-F71 HydrophobicContact CE1-CD2 3.88Å; F34-F71 HydrophobicContact CE1-CE1 4.49Å; F34-F71 HydrophobicContact CE1-CE2 4.31Å; F34-F71 AromaticContact CE1-CG 3.74Å; F34-F71 HydrophobicContact CE1-CG 3.74Å; F34-F71 HydrophobicContact CG-CD1 4.07Å; F34-F71 HydrophobicContact CG-CD2 4.39Å; F34-F71 AromaticContact CG-CE1 3.71Å; F34-F71 HydrophobicContact CG-CE1 3.71Å; F34-F71 HydrophobicContact CG-CE2 4.06Å; F34-F71 HydrophobicContact CG-CG 4.4Å; F34-F71 AromaticContact CG-CZ 3.72Å; F34-F71 HydrophobicContact CG-CZ 3.72Å; F34-F71 HydrophobicContact CZ-CD1 4.43Å; F34-F71 HydrophobicContact CZ-CG 4.41Å; F34-I75 HydrophobicContact CE2-CD1 3.94Å; F34-I75 HydrophobicContact CZ-CD1 4.03Å; F34-F100 HydrophobicContact CE1-CZ 4.37Å |
| 35 | K | 95 | Very high | 92.1 | Very high | 63 Ų | 63 | 67.1 Ų | 67.1 | 27% | 0.274 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 171.4 | -73.7 | 173.2 | -176.3 | 167.2 | 0 | 112.1 | T31 E32 V38 S39 F71 | T31-K35 HydrophobicContact CG2-CD 4.43Å; T31-K35 WeakPolarHBondContact O-CG 3.49Å; T31-K35 PolarHBondContact O-N 3.43Å; E32-K35 PolarHBondContact O-N 3.24Å; E32-K35 IonicContact OE1-NZ 2.69Å; E32-K35 PolarHBondContact OE1-NZ 3.44Å; E32-K35 IonicContact OE2-NZ 2.67Å; K35-V38 PolarHBondContact O-N 3.42Å; K35-S39 PolarHBondContact O-N 3.29Å; K35-S39 PolarHBondContact O-OG 3.11Å; K35-F71 HydrophobicContact CG-CE1 3.96Å; K35-F71 HydrophobicContact CG-CZ 3.86Å |
| 36 | N | 94.8 | Very high | 92.8 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.8 | -70.8 | -21.7 | 0 | 0 | 0 | 111.1 | F13 E32 D33 F34 V38 S39 L40 | F13-N36 HydrophobicContact CE2-CB 3.76Å; F13-N36 HydrophobicContact CZ-CB 3.81Å; E32-N36 WeakPolarHBondContact O-CB 3.49Å; E32-N36 VanDerWaalsContact O-CG 3.22Å; E32-N36 PolarHBondContact O-N 3.11Å; E32-N36 PolarHBondContact O-ND2 3.29Å; D33-N36 PolarHBondContact O-N 3.31Å; F34-N36 VanDerWaalsContact C-N 3.32Å; F34-N36 PolarHBondContact O-N 3.45Å; N36-V38 VanDerWaalsContact C-N 3.33Å; N36-V38 PolarHBondContact O-N 2.96Å; N36-S39 PolarHBondContact O-N 3.04Å; N36-S39 VanDerWaalsContact O-N 3.09Å; N36-L40 WeakPolarHBondContact O-CB 3.48Å; N36-L40 VanDerWaalsContact O-CG 3.32Å; N36-L40 WeakPolarHBondContact O-CG 3.23Å; N36-L40 PolarHBondContact O-N 3.15Å |
| 37 | A | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F13 W14 D33 F34 S39 L40 A41 I50 M53 | F13-A37 HydrophobicContact CE1-CB 3.96Å; F13-A37 HydrophobicContact CZ-CB 3.87Å; W14-A37 HydrophobicContact CH2-CB 3.88Å; W14-A37 HydrophobicContact CZ3-CB 4.25Å; D33-A37 WeakPolarHBondContact O-CB 3.2Å; D33-A37 PolarHBondContact O-N 3.02Å; F34-A37 PolarHBondContact O-N 3.34Å; A37-S39 VanDerWaalsContact C-N 3.27Å; A37-S39 PolarHBondContact O-N 3.46Å; A37-L40 PolarHBondContact O-N 2.96Å; A37-A41 WeakPolarHBondContact O-CB 3.42Å; A37-A41 PolarHBondContact O-N 3.26Å; A37-A41 VanDerWaalsContact O-N 3.11Å; A37-I50 HydrophobicContact CB-CG1 4.34Å; A37-M53 HydrophobicContact CB-CE 4.11Å; A37-M53 HydrophobicContact CB-SD 3.72Å |
| 38 | V | 95.3 | Very high | 94 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 177 | 173.3 | 0 | 0 | 0 | 0 | 112.2 | F34 K35 N36 I50 V74 I75 L78 | F34-V38 HydrophobicContact CD2-CG2 4.16Å; F34-V38 HydrophobicContact CE2-CG2 4.19Å; F34-V38 WeakPolarHBondContact O-CG2 3.36Å; F34-V38 PolarHBondContact O-N 2.79Å; K35-V38 PolarHBondContact O-N 3.42Å; N36-V38 VanDerWaalsContact C-N 3.33Å; N36-V38 PolarHBondContact O-N 2.96Å; V38-I50 HydrophobicContact CG2-CD1 4.47Å; V38-V74 HydrophobicContact CG1-CG1 3.76Å; V38-I75 HydrophobicContact CG2-CD1 3.41Å; V38-I75 VanDerWaalsContact CG2-CD1 3.41Å; V38-L78 HydrophobicContact CG1-CB 4.28Å; V38-L78 HydrophobicContact CG1-CD2 4.15Å |
| 39 | S | 93.2 | Very high | 94.4 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 69% | 0.685 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -79.2 | -22.3 | -178.7 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | K35 N36 A37 | K35-S39 PolarHBondContact O-N 3.29Å; K35-S39 PolarHBondContact O-OG 3.11Å; N36-S39 PolarHBondContact O-N 3.04Å; N36-S39 VanDerWaalsContact O-N 3.09Å; A37-S39 VanDerWaalsContact C-N 3.27Å; A37-S39 PolarHBondContact O-N 3.46Å |
| 40 | L | 94.3 | Very high | 94.6 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -106.8 | 1.2 | -175.9 | -64.8 | 173.1 | 0 | 0 | 0 | 113.5 | F13 W14 N36 A37 E42 H46 | F13-L40 HydrophobicContact CD1-CD1 3.78Å; F13-L40 HydrophobicContact CE1-CD1 4.15Å; F13-L40 HydrophobicContact CG-CD1 4.09Å; W14-L40 HydrophobicContact CZ2-CB 4.28Å; N36-L40 WeakPolarHBondContact O-CB 3.48Å; N36-L40 VanDerWaalsContact O-CG 3.32Å; N36-L40 WeakPolarHBondContact O-CG 3.23Å; N36-L40 PolarHBondContact O-N 3.15Å; A37-L40 PolarHBondContact O-N 2.96Å; L40-E42 PolarHBondContact O-N 3.33Å; L40-H46 PolarHBondContact O-ND1 3.42Å |
| 41 | A | 94.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | trans | -74.6 | 125.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | W14 A37 H46 F47 I50 L78 | W14-A41 HydrophobicContact CH2-CB 4.42Å; W14-A41 HydrophobicContact CZ2-CB 4.29Å; A37-A41 WeakPolarHBondContact O-CB 3.42Å; A37-A41 PolarHBondContact O-N 3.26Å; A37-A41 VanDerWaalsContact O-N 3.11Å; A41-H46 HydrophobicContact CB-CB 3.98Å; A41-F47 HydrophobicContact CB-CE1 4.34Å; A41-F47 HydrophobicContact CB-CZ 4.26Å; A41-I50 HydrophobicContact CB-CD1 3.42Å; A41-I50 VanDerWaalsContact CB-CD1 3.42Å; A41-L78 HydrophobicContact CB-CD1 4.43Å; A41-L78 HydrophobicContact CB-CD2 4.2Å | ||
| 42 | E | 92.3 | Very high | 95.1 | Very high | 161 Ų | 161 | 54.4 Ų | 54.4 | 75% | 0.752 | 28% | 0.278 | S | S | * | . | trans | -143 | -45.3 | -175.7 | -67.6 | -173.8 | 177.3 | 0 | 0 | 110.8 | L40 H46 | L40-E42 PolarHBondContact O-N 3.33Å; E42-H46 PolarHBondContact N-ND1 3.22Å | ||
| 43 | L | 93.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 49.3 Ų | 49.3 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -86.3 | 152.6 | 180 | -54.7 | -179.2 | 0 | 0 | 0 | 112.1 | E45 H46 F47 | L43-E45 VanDerWaalsContact C-N 3.25Å; L43-E45 HydrophobicContact CB-CG 3.87Å; L43-E45 HydrophobicContact CD1-CG 4.43Å; L43-E45 PolarHBondContact O-N 3.45Å; L43-H46 PolarHBondContact N-ND1 3.4Å; L43-H46 WeakPolarHBondContact O-CA 3.32Å; L43-H46 VanDerWaalsContact O-CB 3.23Å; L43-H46 WeakPolarHBondContact O-CB 3.18Å; L43-H46 PolarHBondContact O-N 3.37Å; L43-F47 WeakPolarHBondContact O-CD2 3.2Å; L43-F47 PolarHBondContact O-N 3.44Å |
| 44 | D | 94.6 | Very high | 95.3 | Very high | 105 Ų | 105 | 48.4 Ų | 48.4 | 56% | 0.561 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -50.9 | -43.9 | 177.6 | -71.4 | -35.1 | 0 | 0 | 0 | 112.7 | H46 F47 E48 R84 | D44-H46 PolarHBondContact O-N 3.35Å; D44-F47 PolarHBondContact O-N 3.45Å; D44-E48 PolarHBondContact O-N 3.39Å; D44-E48 VanDerWaalsContact O-N 3.16Å; D44-R84 IonicContact OD1-CZ 3.36Å; D44-R84 IonicContact OD1-NH1 2.68Å; D44-R84 PolarHBondContact OD1-NH1 3.18Å; D44-R84 IonicContact OD1-NH2 3.19Å; D44-R84 PolarHBondContact OD1-NH2 3.02Å |
| 45 | E | 95 | Very high | 95.2 | Very high | 78 Ų | 78 | 51.3 Ų | 51.3 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.3 | -31.6 | 176.7 | 53.9 | 163.9 | -173.5 | 0 | 0 | 113.5 | R18 L43 F47 E48 L49 | R18-E45 IonicContact CZ-OE2 3.82Å; R18-E45 VanDerWaalsContact NH2-CD 3.25Å; R18-E45 IonicContact NH2-OE1 3.21Å; R18-E45 PolarHBondContact NH2-OE1 2.89Å; R18-E45 IonicContact NH2-OE2 2.73Å; R18-E45 PolarHBondContact NH2-OE2 2.69Å; L43-E45 VanDerWaalsContact C-N 3.25Å; L43-E45 HydrophobicContact CB-CG 3.87Å; L43-E45 HydrophobicContact CD1-CG 4.43Å; L43-E45 PolarHBondContact O-N 3.45Å; E45-F47 VanDerWaalsContact C-N 3.31Å; E45-F47 PolarHBondContact O-N 2.78Å; E45-E48 PolarHBondContact O-N 2.67Å; E45-L49 WeakPolarHBondContact O-CG 3.33Å; E45-L49 PolarHBondContact O-N 3.36Å; E45-L49 VanDerWaalsContact O-N 3.07Å |
| 46 | H | 96 | Very high | 95.1 | Very high | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.06 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 176.9 | -60.2 | 175.5 | 0 | 0 | 0 | 110.5 | W14 L40 A41 E42 L43 D44 L49 I50 | W14-H46 AromaticContact CD1-CD2 3.94Å; W14-H46 AromaticContact CD1-CE1 3.6Å; W14-H46 AromaticContact CD1-NE2 3.42Å; W14-H46 AromaticContact CD2-CD2 3.65Å; W14-H46 AromaticContact CD2-CG 3.95Å; W14-H46 AromaticContact CD2-NE2 3.95Å; W14-H46 AromaticContact CE2-CD2 3.59Å; W14-H46 AromaticContact CE2-CE1 3.76Å; W14-H46 AromaticContact CE2-CG 3.45Å; W14-H46 VanDerWaalsContact CE2-CG 3.45Å; W14-H46 AromaticContact CE2-ND1 3.52Å; W14-H46 AromaticContact CE2-NE2 3.8Å; W14-H46 AromaticContact CG-CD2 3.92Å; W14-H46 AromaticContact CG-NE2 3.76Å; W14-H46 HydrophobicContact CH2-CB 3.56Å; W14-H46 AromaticContact CH2-CG 3.97Å; W14-H46 HydrophobicContact CZ2-CB 3.53Å; W14-H46 AromaticContact CZ2-CG 3.49Å; W14-H46 VanDerWaalsContact CZ2-CG 3.49Å; W14-H46 AromaticContact CZ2-ND1 3.67Å; W14-H46 HydrophobicContact CZ3-CB 4.07Å; W14-H46 AromaticContact NE1-CD2 3.77Å; W14-H46 AromaticContact NE1-CE1 3.23Å; W14-H46 PolarHBondContact NE1-CE1 3.12Å; W14-H46 AromaticContact NE1-CG 3.77Å; W14-H46 AromaticContact NE1-ND1 3.4Å; W14-H46 PolarHBondContact NE1-ND1 3.25Å; W14-H46 AromaticContact NE1-NE2 3.46Å; W14-H46 PolarHBondContact NE1-NE2 3.3Å; L40-H46 PolarHBondContact O-ND1 3.42Å; A41-H46 HydrophobicContact CB-CB 3.98Å; E42-H46 PolarHBondContact N-ND1 3.22Å; L43-H46 PolarHBondContact N-ND1 3.4Å; L43-H46 WeakPolarHBondContact O-CA 3.32Å; L43-H46 VanDerWaalsContact O-CB 3.23Å; L43-H46 WeakPolarHBondContact O-CB 3.18Å; L43-H46 PolarHBondContact O-N 3.37Å; D44-H46 PolarHBondContact O-N 3.35Å; H46-L49 PolarHBondContact O-N 2.74Å; H46-I50 WeakPolarHBondContact O-CG1 3.49Å; H46-I50 PolarHBondContact O-N 3.49Å |
| 47 | F | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.4 | -36.7 | 179.2 | -63.1 | -90.3 | 0 | 0 | 0 | 111.9 | A41 L43 D44 E45 L49 I50 E51 L78 F79 S82 R84 M87 | A41-F47 HydrophobicContact CB-CE1 4.34Å; A41-F47 HydrophobicContact CB-CZ 4.26Å; L43-F47 WeakPolarHBondContact O-CD2 3.2Å; L43-F47 PolarHBondContact O-N 3.44Å; D44-F47 PolarHBondContact O-N 3.45Å; E45-F47 VanDerWaalsContact C-N 3.31Å; E45-F47 PolarHBondContact O-N 2.78Å; F47-L49 VanDerWaalsContact C-N 3.33Å; F47-I50 WeakPolarHBondContact O-CB 3.08Å; F47-I50 PolarHBondContact O-N 2.92Å; F47-E51 PolarHBondContact O-N 2.96Å; F47-L78 HydrophobicContact CD1-CD2 4.22Å; F47-L78 HydrophobicContact CD1-CG 4.47Å; F47-L78 HydrophobicContact CE1-CD1 3.97Å; F47-L78 HydrophobicContact CE1-CD2 3.99Å; F47-L78 HydrophobicContact CE1-CG 3.85Å; F47-L78 HydrophobicContact CZ-CD1 4.5Å; F47-F79 HydrophobicContact CD1-CD1 4.2Å; F47-F79 HydrophobicContact CD1-CE1 4.1Å; F47-S82 WeakPolarHBondContact CZ-OG 3.09Å; F47-R84 VanDerWaalsContact CE2-CZ 3.49Å; F47-R84 VanDerWaalsContact CZ-NE 3.34Å; F47-M87 HydrophobicContact CB-CE 3.72Å; F47-M87 HydrophobicContact CB-SD 3.61Å; F47-M87 HydrophobicContact CG-SD 4.37Å |
| 48 | E | 96.2 | Very high | 94.9 | Very high | 119 Ų | 119 | 49.3 Ų | 49.3 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.7 | -41.9 | 172.1 | -66.6 | -178.5 | 174.2 | 0 | 0 | 111.6 | D44 E45 E51 Q52 | D44-E48 PolarHBondContact O-N 3.39Å; D44-E48 VanDerWaalsContact O-N 3.16Å; E45-E48 PolarHBondContact O-N 2.67Å; E48-E51 PolarHBondContact O-N 2.84Å; E48-Q52 WeakPolarHBondContact O-CG 3.09Å; E48-Q52 PolarHBondContact O-N 2.98Å; E48-Q52 VanDerWaalsContact O-N 3.14Å |
| 49 | L | 96.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 173.6 | -71.9 | 172.3 | 0 | 0 | 0 | 111.7 | W14 I17 R18 F21 E45 H46 F47 E51 Q52 M53 | W14-L49 HydrophobicContact CE3-CB 4.43Å; W14-L49 HydrophobicContact CE3-CD1 3.61Å; W14-L49 HydrophobicContact CZ3-CB 3.96Å; W14-L49 HydrophobicContact CZ3-CD1 4Å; I17-L49 HydrophobicContact CG2-CB 4.31Å; I17-L49 HydrophobicContact CG2-CD1 4.41Å; R18-L49 HydrophobicContact CG-CD1 3.9Å; R18-L49 HydrophobicContact CG-CD2 4.22Å; F21-L49 HydrophobicContact CD2-CD2 4.13Å; F21-L49 HydrophobicContact CE2-CD2 4.44Å; E45-L49 WeakPolarHBondContact O-CG 3.33Å; E45-L49 PolarHBondContact O-N 3.36Å; E45-L49 VanDerWaalsContact O-N 3.07Å; H46-L49 PolarHBondContact O-N 2.74Å; F47-L49 VanDerWaalsContact C-N 3.33Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 2.94Å; L49-Q52 PolarHBondContact O-N 3.21Å; L49-M53 VanDerWaalsContact O-CG 3.29Å; L49-M53 WeakPolarHBondContact O-CG 3.21Å; L49-M53 PolarHBondContact O-N 3.18Å |
| 50 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.2 | -78.9 | 172.2 | 0 | 0 | 0 | 111.9 | W14 F34 A37 V38 A41 H46 F47 M53 C54 I75 L78 | W14-I50 HydrophobicContact CH2-CD1 4.36Å; W14-I50 HydrophobicContact CH2-CG1 4.31Å; F34-I50 HydrophobicContact CE2-CG2 4.36Å; A37-I50 HydrophobicContact CB-CG1 4.34Å; V38-I50 HydrophobicContact CG2-CD1 4.47Å; A41-I50 HydrophobicContact CB-CD1 3.42Å; A41-I50 VanDerWaalsContact CB-CD1 3.42Å; H46-I50 WeakPolarHBondContact O-CG1 3.49Å; H46-I50 PolarHBondContact O-N 3.49Å; F47-I50 WeakPolarHBondContact O-CB 3.08Å; F47-I50 PolarHBondContact O-N 2.92Å; I50-M53 WeakPolarHBondContact O-CB 3.44Å; I50-M53 PolarHBondContact O-N 3.44Å; I50-C54 PolarHBondContact O-N 2.96Å; I50-C54 PolarHBondContact O-SG 3.15Å; I50-I75 HydrophobicContact CG2-CD1 3.72Å; I50-L78 HydrophobicContact CD1-CD2 3.57Å |
| 51 | E | 96.5 | Very high | 94.2 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 174.2 | 166.7 | 167.4 | 178.2 | 0 | 0 | 110.9 | F47 E48 L49 M53 C54 R55 M87 R90 M91 | F47-E51 PolarHBondContact O-N 2.96Å; E48-E51 PolarHBondContact O-N 2.84Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 2.94Å; E51-M53 VanDerWaalsContact C-N 3.31Å; E51-M53 PolarHBondContact O-N 2.96Å; E51-C54 WeakPolarHBondContact O-CB 3.48Å; E51-C54 PolarHBondContact O-N 2.87Å; E51-C54 VanDerWaalsContact O-N 3.14Å; E51-R55 PolarHBondContact O-N 2.84Å; E51-R55 VanDerWaalsContact O-N 3.16Å; E51-R55 IonicContact OE1-CZ 3.67Å; E51-R55 IonicContact OE1-NE 2.7Å; E51-R55 IonicContact OE1-NH2 2.89Å; E51-R55 PolarHBondContact OE1-NH2 2.73Å; E51-M87 HydrophobicContact CB-CE 4.4Å; E51-R90 IonicContact OE2-NH1 3.11Å; E51-M91 HydrophobicContact CB-CE 4.25Å; E51-M91 HydrophobicContact CB-SD 4.05Å; E51-M91 HydrophobicContact CG-CE 4.08Å; E51-M91 HydrophobicContact CG-SD 3.51Å; E51-M91 VanDerWaalsContact CG-SD 3.51Å |
| 52 | Q | 95.7 | Very high | 93.9 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 36% | 0.36 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.7 | -65.5 | 177.2 | 52.8 | 0 | 0 | 112.2 | F21 E48 L49 R55 R56 | F21-Q52 HydrophobicContact CD1-CB 3.96Å; F21-Q52 HydrophobicContact CE1-CB 3.53Å; F21-Q52 HydrophobicContact CE2-CB 4.19Å; F21-Q52 HydrophobicContact CG-CB 4.48Å; F21-Q52 HydrophobicContact CZ-CB 3.66Å; E48-Q52 WeakPolarHBondContact O-CG 3.09Å; E48-Q52 PolarHBondContact O-N 2.98Å; E48-Q52 VanDerWaalsContact O-N 3.14Å; L49-Q52 PolarHBondContact O-N 3.21Å; Q52-R55 PolarHBondContact O-N 3.42Å; Q52-R56 WeakPolarHBondContact O-CB 3.48Å; Q52-R56 PolarHBondContact O-N 3.47Å |
| 53 | M | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 173.8 | -69.5 | 179.5 | 83 | 0 | 0 | 111.7 | I17 F21 I29 F34 A37 L49 I50 E51 Y57 | I17-M53 HydrophobicContact CD1-CE 3.99Å; I17-M53 HydrophobicContact CD1-SD 4.37Å; I17-M53 HydrophobicContact CG2-CG 4.35Å; I17-M53 HydrophobicContact CG2-SD 3.69Å; F21-M53 HydrophobicContact CE2-CG 3.87Å; F21-M53 HydrophobicContact CZ-CB 4.35Å; F21-M53 HydrophobicContact CZ-CG 3.63Å; I29-M53 HydrophobicContact CD1-CE 4.47Å; I29-M53 HydrophobicContact CD1-CG 4.34Å; I29-M53 HydrophobicContact CG2-CE 3.68Å; F34-M53 HydrophobicContact CB-CE 3.83Å; F34-M53 HydrophobicContact CD2-CB 3.95Å; F34-M53 HydrophobicContact CD2-CE 3.75Å; F34-M53 HydrophobicContact CD2-SD 4.06Å; F34-M53 HydrophobicContact CE1-CB 4.43Å; F34-M53 HydrophobicContact CE2-CB 3.6Å; F34-M53 HydrophobicContact CE2-SD 4.42Å; F34-M53 HydrophobicContact CG-CE 3.97Å; F34-M53 HydrophobicContact CZ-CB 3.86Å; A37-M53 HydrophobicContact CB-CE 4.11Å; A37-M53 HydrophobicContact CB-SD 3.72Å; L49-M53 VanDerWaalsContact O-CG 3.29Å; L49-M53 WeakPolarHBondContact O-CG 3.21Å; L49-M53 PolarHBondContact O-N 3.18Å; I50-M53 WeakPolarHBondContact O-CB 3.44Å; I50-M53 PolarHBondContact O-N 3.44Å; E51-M53 VanDerWaalsContact C-N 3.31Å; E51-M53 PolarHBondContact O-N 2.96Å; M53-Y57 WeakPolarHBondContact O-CB 3.37Å; M53-Y57 PolarHBondContact O-N 2.78Å |
| 54 | C | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.7 | -51.2 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 111 | F34 I50 E51 Y57 H58 M91 F100 | F34-C54 HydrophobicContact CZ-CB 4.4Å; I50-C54 PolarHBondContact O-N 2.96Å; I50-C54 PolarHBondContact O-SG 3.15Å; E51-C54 WeakPolarHBondContact O-CB 3.48Å; E51-C54 PolarHBondContact O-N 2.87Å; E51-C54 VanDerWaalsContact O-N 3.14Å; C54-Y57 PolarHBondContact O-N 2.81Å; C54-H58 VanDerWaalsContact O-CB 3.24Å; C54-H58 WeakPolarHBondContact O-CB 3.16Å; C54-H58 PolarHBondContact O-N 3.25Å; C54-M91 HydrophobicContact CB-CE 3.57Å; C54-F100 HydrophobicContact CB-CE1 4.24Å; C54-F100 HydrophobicContact CB-CZ 4.04Å |
| 55 | R | 94.4 | Very high | 92.4 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58 | -55 | -179.8 | -65.5 | 179.6 | -170.3 | -71.6 | -8.4 | 111.4 | E51 Q52 Y57 H58 E59 D94 L97 | E51-R55 PolarHBondContact O-N 2.84Å; E51-R55 VanDerWaalsContact O-N 3.16Å; E51-R55 IonicContact OE1-CZ 3.67Å; E51-R55 IonicContact OE1-NE 2.7Å; E51-R55 IonicContact OE1-NH2 2.89Å; E51-R55 PolarHBondContact OE1-NH2 2.73Å; Q52-R55 PolarHBondContact O-N 3.42Å; R55-Y57 PolarHBondContact O-N 3.29Å; R55-H58 WeakPolarHBondContact O-CB 3.12Å; R55-H58 PolarHBondContact O-N 2.92Å; R55-E59 WeakPolarHBondContact O-CG 3.36Å; R55-E59 PolarHBondContact O-N 3.2Å; R55-D94 IonicContact CZ-OD2 3.99Å; R55-D94 IonicContact NH1-OD1 3.38Å; R55-D94 IonicContact NH1-OD2 2.89Å; R55-D94 PolarHBondContact NH1-OD2 3.29Å; R55-D94 IonicContact NH2-OD2 2.69Å; R55-D94 PolarHBondContact NH2-OD2 2.69Å; R55-L97 HydrophobicContact CB-CD2 4.43Å; R55-L97 HydrophobicContact CG-CD1 4.46Å; R55-L97 HydrophobicContact CG-CD2 4.03Å; R55-L97 HydrophobicContact CG-CG 4.46Å |
| 56 | R | 92.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | -178.1 | -177.1 | 169.5 | -68.3 | 169.7 | -4.2 | 112.6 | Y20 F21 I29 Q52 H58 Q60 | Y20-R56 PolarHBondContact O-NH1 3.28Å; F21-R56 HydrophobicContact CE1-CB 4.29Å; I29-R56 HydrophobicContact CG1-CB 4.11Å; I29-R56 HydrophobicContact CG1-CG 3.82Å; Q52-R56 WeakPolarHBondContact O-CB 3.48Å; Q52-R56 PolarHBondContact O-N 3.47Å; R56-H58 VanDerWaalsContact C-N 3.35Å; R56-Q60 VanDerWaalsContact CG-NE2 3.25Å; R56-Q60 WeakPolarHBondContact O-CB 3.49Å; R56-Q60 WeakPolarHBondContact O-CG 3.33Å; R56-Q60 PolarHBondContact O-N 2.87Å |
| 57 | Y | 93 | Very high | 89.8 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67 | -37.7 | 177.1 | -170.4 | -98 | 0 | 0 | 0 | 111.8 | I29 T31 F34 M53 C54 R55 Q60 S61 V68 F71 F100 | I29-Y57 HydrophobicContact CB-CD2 4.02Å; I29-Y57 HydrophobicContact CG2-CD2 3.88Å; T31-Y57 PolarHBondContact OG1-OH 3.26Å; F34-Y57 HydrophobicContact CD1-CD1 4.22Å; F34-Y57 AromaticContact CD1-CD2 3.98Å; F34-Y57 HydrophobicContact CD1-CD2 3.98Å; F34-Y57 HydrophobicContact CD1-CE2 4.38Å; F34-Y57 AromaticContact CD1-CG 3.86Å; F34-Y57 HydrophobicContact CD1-CG 3.86Å; F34-Y57 HydrophobicContact CE1-CD1 4.13Å; F34-Y57 AromaticContact CE1-CG 3.95Å; F34-Y57 HydrophobicContact CE1-CG 3.95Å; M53-Y57 WeakPolarHBondContact O-CB 3.37Å; M53-Y57 PolarHBondContact O-N 2.78Å; C54-Y57 PolarHBondContact O-N 2.81Å; R55-Y57 PolarHBondContact O-N 3.29Å; Y57-Q60 PolarHBondContact O-N 3.3Å; Y57-S61 WeakPolarHBondContact O-CB 3.48Å; Y57-S61 PolarHBondContact O-N 3.25Å; Y57-S61 PolarHBondContact O-OG 3.19Å; Y57-V68 HydrophobicContact CD1-CG1 4.08Å; Y57-V68 HydrophobicContact CE1-CB 4.41Å; Y57-V68 HydrophobicContact CE1-CG1 3.05Å; Y57-V68 HydrophobicContact CE2-CG1 4.01Å; Y57-V68 WeakPolarHBondContact OH-CG1 3.07Å; Y57-F71 HydrophobicContact CD1-CD2 4.01Å; Y57-F71 AromaticContact CE1-CD2 3.37Å; Y57-F71 HydrophobicContact CE1-CD2 3.37Å; Y57-F71 AromaticContact CE1-CE2 3.75Å; Y57-F71 HydrophobicContact CE1-CE2 3.75Å; Y57-F71 HydrophobicContact CE2-CD2 4.48Å; Y57-F71 HydrophobicContact CE2-CE2 4.08Å; Y57-F71 AromaticContact CZ-CD2 3.64Å; Y57-F71 AromaticContact CZ-CE2 3.47Å; Y57-F71 VanDerWaalsContact CZ-CE2 3.47Å; Y57-F71 WeakPolarHBondContact OH-CE2 3.45Å; Y57-F100 HydrophobicContact CD1-CE2 4.12Å |
| 58 | H | 93 | Very high | 88.8 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 13% | 0.125 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 175 | -175.2 | 56.5 | 0 | 0 | 0 | 111.6 | C54 R55 R56 Q60 S61 C62 D96 L97 R98 F100 | C54-H58 VanDerWaalsContact O-CB 3.24Å; C54-H58 WeakPolarHBondContact O-CB 3.16Å; C54-H58 PolarHBondContact O-N 3.25Å; R55-H58 WeakPolarHBondContact O-CB 3.12Å; R55-H58 PolarHBondContact O-N 2.92Å; R56-H58 VanDerWaalsContact C-N 3.35Å; H58-Q60 VanDerWaalsContact C-N 3.29Å; H58-Q60 PolarHBondContact O-N 3.45Å; H58-S61 WeakPolarHBondContact O-CB 3.37Å; H58-S61 PolarHBondContact O-N 3.06Å; H58-S61 VanDerWaalsContact O-N 3.07Å; H58-C62 VanDerWaalsContact CE1-SG 3.54Å; H58-C62 PolarHBondContact O-N 2.95Å; H58-C62 PolarHBondContact O-SG 3.23Å; H58-C62 VanDerWaalsContact O-SG 3.42Å; H58-D96 PolarHBondContact CD2-O 2.92Å; H58-D96 VanDerWaalsContact CD2-O 3.32Å; H58-L97 HydrophobicContact CB-CD2 3.98Å; H58-R98 PolarHBondContact CE1-O 3.13Å; H58-R98 VanDerWaalsContact CE1-O 3.26Å; H58-R98 PolarHBondContact NE2-O 3.35Å; H58-F100 HydrophobicContact CB-CD2 3.72Å; H58-F100 HydrophobicContact CB-CE2 4.33Å; H58-F100 AromaticContact ND1-CD2 3.86Å |
| 59 | E | 91.3 | Very high | 88.4 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -55 | -44.6 | 175.2 | -72.1 | 170.8 | -172.3 | 0 | 0 | 111.8 | R55 S61 C62 R63 | R55-E59 WeakPolarHBondContact O-CG 3.36Å; R55-E59 PolarHBondContact O-N 3.2Å; E59-S61 PolarHBondContact O-N 3.45Å; E59-C62 PolarHBondContact O-N 2.69Å; E59-R63 VanDerWaalsContact O-CB 3.32Å; E59-R63 WeakPolarHBondContact O-CB 3.48Å; E59-R63 PolarHBondContact O-N 2.74Å |
| 60 | Q | 90.7 | Very high | 88.2 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61 | -42.9 | 176.3 | -74.7 | 166.9 | 7.4 | 0 | 0 | 112.1 | L27 L28 R56 Y57 H58 R63 L64 | L27-Q60 PolarHBondContact O-NE2 3.1Å; L28-Q60 HydrophobicContact CD2-CG 3.84Å; R56-Q60 VanDerWaalsContact CG-NE2 3.25Å; R56-Q60 WeakPolarHBondContact O-CB 3.49Å; R56-Q60 WeakPolarHBondContact O-CG 3.33Å; R56-Q60 PolarHBondContact O-N 2.87Å; Y57-Q60 PolarHBondContact O-N 3.3Å; H58-Q60 VanDerWaalsContact C-N 3.29Å; H58-Q60 PolarHBondContact O-N 3.45Å; Q60-R63 PolarHBondContact O-N 3.08Å; Q60-L64 VanDerWaalsContact O-CB 3.27Å; Q60-L64 WeakPolarHBondContact O-CB 3.48Å; Q60-L64 VanDerWaalsContact O-CG 3.31Å; Q60-L64 WeakPolarHBondContact O-CG 3.37Å; Q60-L64 PolarHBondContact O-N 2.85Å |
| 61 | S | 87.6 | Confident | 88.1 | Confident | 24 Ų | 24 | 78.5 Ų | 78.5 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 179.1 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | Y57 H58 E59 R65 V68 | Y57-S61 WeakPolarHBondContact O-CB 3.48Å; Y57-S61 PolarHBondContact O-N 3.25Å; Y57-S61 PolarHBondContact O-OG 3.19Å; H58-S61 WeakPolarHBondContact O-CB 3.37Å; H58-S61 PolarHBondContact O-N 3.06Å; H58-S61 VanDerWaalsContact O-N 3.07Å; E59-S61 PolarHBondContact O-N 3.45Å; S61-R65 WeakPolarHBondContact O-CA 3.24Å; S61-R65 PolarHBondContact O-N 3.19Å; S61-V68 WeakPolarHBondContact OG-CG1 3.48Å; S61-V68 WeakPolarHBondContact OG-CG2 3.49Å |
| 62 | C | 87.5 | Confident | 88 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 54% | 0.541 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177.9 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | H58 E59 | H58-C62 VanDerWaalsContact CE1-SG 3.54Å; H58-C62 PolarHBondContact O-N 2.95Å; H58-C62 PolarHBondContact O-SG 3.23Å; H58-C62 VanDerWaalsContact O-SG 3.42Å; E59-C62 PolarHBondContact O-N 2.69Å |
| 63 | R | 86.5 | Confident | 88.1 | Confident | 178 Ų | 178 | 74.9 Ų | 74.9 | 67% | 0.672 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70.3 | -45.2 | -179.7 | -172.3 | 178.9 | 70.5 | 175.9 | 0.4 | 112.9 | E59 Q60 | E59-R63 VanDerWaalsContact O-CB 3.32Å; E59-R63 WeakPolarHBondContact O-CB 3.48Å; E59-R63 PolarHBondContact O-N 2.74Å; Q60-R63 PolarHBondContact O-N 3.08Å |
| 64 | L | 85 | Confident | 88.2 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -87.8 | -11.7 | -172.9 | -60.3 | 175.5 | 0 | 0 | 0 | 113.2 | L28 Q60 L66 | L28-L64 HydrophobicContact CD2-CD1 4.38Å; Q60-L64 VanDerWaalsContact O-CB 3.27Å; Q60-L64 WeakPolarHBondContact O-CB 3.48Å; Q60-L64 VanDerWaalsContact O-CG 3.31Å; Q60-L64 WeakPolarHBondContact O-CG 3.37Å; Q60-L64 PolarHBondContact O-N 2.85Å; L64-L66 HydrophobicContact CB-CD1 3.78Å; L64-L66 HydrophobicContact CB-CG 3.76Å; L64-L66 HydrophobicContact CD1-CD1 3.86Å; L64-L66 HydrophobicContact CG-CD1 4.47Å; L64-L66 PolarHBondContact O-N 2.91Å; L64-L66 VanDerWaalsContact O-N 3.12Å |
| 65 | R | 78.3 | Confident | 88.3 | Confident | 228 Ų | 228 | 77.1 Ų | 77.1 | 86% | 0.86 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 33.5 | -176.9 | -59.8 | -176.3 | 176.4 | -173.7 | -1.5 | 113.4 | S61 | S61-R65 WeakPolarHBondContact O-CA 3.24Å; S61-R65 PolarHBondContact O-N 3.19Å |
| 66 | L | 71.5 | Confident | 88.5 | Confident | 115 Ų | 115 | 74.2 Ų | 74.2 | 60% | 0.602 | 34% | 0.337 | S | S | * | . | trans | -78.6 | 153.1 | 179.3 | -67.3 | 171.4 | 0 | 0 | 0 | 110.3 | L64 V68 | L64-L66 HydrophobicContact CB-CD1 3.78Å; L64-L66 HydrophobicContact CB-CG 3.76Å; L64-L66 HydrophobicContact CD1-CD1 3.86Å; L64-L66 HydrophobicContact CG-CD1 4.47Å; L64-L66 PolarHBondContact O-N 2.91Å; L64-L66 VanDerWaalsContact O-N 3.12Å; L66-V68 VanDerWaalsContact C-N 3.29Å; L66-V68 HydrophobicContact CB-CG2 3.72Å; L66-V68 WeakPolarHBondContact O-CG2 3.34Å; L66-V68 PolarHBondContact O-N 3.35Å | ||
| 67 | F | 64.2 | Low | 88.7 | Confident | 224 Ų | 224 | 78.8 Ų | 78.8 | 98% | 0.982 | 35% | 0.354 | S | S | * | . | trans | -73 | 90.1 | 167.3 | -74.8 | -79.7 | 0 | 0 | 0 | 108.7 | ||||
| 68 | V | 75.2 | Confident | 88.9 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | trans | -92.1 | 144.5 | -169 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | Y57 S61 L66 R70 | Y57-V68 HydrophobicContact CD1-CG1 4.08Å; Y57-V68 HydrophobicContact CE1-CB 4.41Å; Y57-V68 HydrophobicContact CE1-CG1 3.05Å; Y57-V68 HydrophobicContact CE2-CG1 4.01Å; Y57-V68 WeakPolarHBondContact OH-CG1 3.07Å; S61-V68 WeakPolarHBondContact OG-CG1 3.48Å; S61-V68 WeakPolarHBondContact OG-CG2 3.49Å; L66-V68 VanDerWaalsContact C-N 3.29Å; L66-V68 HydrophobicContact CB-CG2 3.72Å; L66-V68 WeakPolarHBondContact O-CG2 3.34Å; L66-V68 PolarHBondContact O-N 3.35Å; V68-R70 PolarHBondContact O-N 3.3Å | ||
| 69 | Y | 88.5 | Confident | 89.2 | Confident | 104 Ų | 104 | 78 Ų | 78 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | trans | -57.3 | 134.9 | 174.3 | -178.1 | -87.1 | 0 | 0 | 0 | 110.8 | T31 F71 V74 | T31-Y69 HydrophobicContact CG2-CG 4.1Å; Y69-F71 HydrophobicContact CD1-CD1 4.08Å; Y69-F71 AromaticContact CD1-CD2 3.52Å; Y69-F71 HydrophobicContact CD1-CD2 3.52Å; Y69-F71 HydrophobicContact CD1-CE1 4.01Å; Y69-F71 AromaticContact CD1-CE2 3.45Å; Y69-F71 HydrophobicContact CD1-CE2 3.45Å; Y69-F71 VanDerWaalsContact CD1-CE2 3.45Å; Y69-F71 AromaticContact CD1-CG 3.84Å; Y69-F71 HydrophobicContact CD1-CG 3.84Å; Y69-F71 AromaticContact CD1-CZ 3.69Å; Y69-F71 HydrophobicContact CD1-CZ 3.69Å; Y69-F71 HydrophobicContact CE1-CD1 4.05Å; Y69-F71 HydrophobicContact CE1-CD2 4.31Å; Y69-F71 HydrophobicContact CE1-CE1 4.01Å; Y69-F71 HydrophobicContact CE1-CE2 4.27Å; Y69-F71 HydrophobicContact CE1-CG 4.19Å; Y69-F71 HydrophobicContact CE1-CZ 4.11Å; Y69-F71 HydrophobicContact CG-CD2 4.43Å; Y69-F71 HydrophobicContact CG-CE2 4.13Å; Y69-F71 HydrophobicContact CG-CZ 4.49Å; Y69-F71 PolarHBondContact O-N 3.35Å; Y69-F71 VanDerWaalsContact O-N 3.07Å; Y69-V74 HydrophobicContact CE1-CG2 4.17Å | ||
| 70 | R | 91.6 | Very high | 89.5 | Confident | 166 Ų | 166 | 73.9 Ų | 73.9 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | trans | -81.8 | 89.4 | -176.8 | -63.3 | -178.9 | 179.8 | 171.5 | 2.5 | 110.9 | V68 Y103 | V68-R70 PolarHBondContact O-N 3.3Å; R70-Y103 WeakPolarHBondContact CD-OH 3.45Å; R70-Y103 HydrophobicContact CG-CE1 4.39Å; R70-Y103 WeakPolarHBondContact CG-OH 3.37Å | ||
| 71 | F | 95.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 1% | 0.013 | 36% | 0.36 | C | S | . | . | trans | -72.7 | -29.2 | 179.3 | -85.1 | -80 | 0 | 0 | 0 | 114.2 | T31 F34 K35 Y57 Y69 V74 I75 F100 | T31-F71 HydrophobicContact CG2-CE2 4.1Å; T31-F71 HydrophobicContact CG2-CZ 4.14Å; T31-F71 WeakPolarHBondContact O-CZ 3.14Å; F34-F71 HydrophobicContact CB-CE1 3.89Å; F34-F71 HydrophobicContact CB-CE2 4.07Å; F34-F71 HydrophobicContact CB-CZ 3.54Å; F34-F71 AromaticContact CD1-CD1 3.87Å; F34-F71 HydrophobicContact CD1-CD1 3.87Å; F34-F71 AromaticContact CD1-CD2 3.56Å; F34-F71 HydrophobicContact CD1-CD2 3.56Å; F34-F71 AromaticContact CD1-CE1 3.85Å; F34-F71 HydrophobicContact CD1-CE1 3.85Å; F34-F71 AromaticContact CD1-CE2 3.53Å; F34-F71 HydrophobicContact CD1-CE2 3.53Å; F34-F71 AromaticContact CD1-CG 3.74Å; F34-F71 HydrophobicContact CD1-CG 3.74Å; F34-F71 AromaticContact CD1-CZ 3.69Å; F34-F71 HydrophobicContact CD1-CZ 3.69Å; F34-F71 HydrophobicContact CD2-CD1 4.44Å; F34-F71 HydrophobicContact CD2-CE1 4.27Å; F34-F71 HydrophobicContact CE1-CB 4.14Å; F34-F71 HydrophobicContact CE1-CD1 4.07Å; F34-F71 AromaticContact CE1-CD2 3.88Å; F34-F71 HydrophobicContact CE1-CD2 3.88Å; F34-F71 HydrophobicContact CE1-CE1 4.49Å; F34-F71 HydrophobicContact CE1-CE2 4.31Å; F34-F71 AromaticContact CE1-CG 3.74Å; F34-F71 HydrophobicContact CE1-CG 3.74Å; F34-F71 HydrophobicContact CG-CD1 4.07Å; F34-F71 HydrophobicContact CG-CD2 4.39Å; F34-F71 AromaticContact CG-CE1 3.71Å; F34-F71 HydrophobicContact CG-CE1 3.71Å; F34-F71 HydrophobicContact CG-CE2 4.06Å; F34-F71 HydrophobicContact CG-CG 4.4Å; F34-F71 AromaticContact CG-CZ 3.72Å; F34-F71 HydrophobicContact CG-CZ 3.72Å; F34-F71 HydrophobicContact CZ-CD1 4.43Å; F34-F71 HydrophobicContact CZ-CG 4.41Å; K35-F71 HydrophobicContact CG-CE1 3.96Å; K35-F71 HydrophobicContact CG-CZ 3.86Å; Y57-F71 HydrophobicContact CD1-CD2 4.01Å; Y57-F71 AromaticContact CE1-CD2 3.37Å; Y57-F71 HydrophobicContact CE1-CD2 3.37Å; Y57-F71 AromaticContact CE1-CE2 3.75Å; Y57-F71 HydrophobicContact CE1-CE2 3.75Å; Y57-F71 HydrophobicContact CE2-CD2 4.48Å; Y57-F71 HydrophobicContact CE2-CE2 4.08Å; Y57-F71 AromaticContact CZ-CD2 3.64Å; Y57-F71 AromaticContact CZ-CE2 3.47Å; Y57-F71 VanDerWaalsContact CZ-CE2 3.47Å; Y57-F71 WeakPolarHBondContact OH-CE2 3.45Å; Y69-F71 HydrophobicContact CD1-CD1 4.08Å; Y69-F71 AromaticContact CD1-CD2 3.52Å; Y69-F71 HydrophobicContact CD1-CD2 3.52Å; Y69-F71 HydrophobicContact CD1-CE1 4.01Å; Y69-F71 AromaticContact CD1-CE2 3.45Å; Y69-F71 HydrophobicContact CD1-CE2 3.45Å; Y69-F71 VanDerWaalsContact CD1-CE2 3.45Å; Y69-F71 AromaticContact CD1-CG 3.84Å; Y69-F71 HydrophobicContact CD1-CG 3.84Å; Y69-F71 AromaticContact CD1-CZ 3.69Å; Y69-F71 HydrophobicContact CD1-CZ 3.69Å; Y69-F71 HydrophobicContact CE1-CD1 4.05Å; Y69-F71 HydrophobicContact CE1-CD2 4.31Å; Y69-F71 HydrophobicContact CE1-CE1 4.01Å; Y69-F71 HydrophobicContact CE1-CE2 4.27Å; Y69-F71 HydrophobicContact CE1-CG 4.19Å; Y69-F71 HydrophobicContact CE1-CZ 4.11Å; Y69-F71 HydrophobicContact CG-CD2 4.43Å; Y69-F71 HydrophobicContact CG-CE2 4.13Å; Y69-F71 HydrophobicContact CG-CZ 4.49Å; Y69-F71 PolarHBondContact O-N 3.35Å; Y69-F71 VanDerWaalsContact O-N 3.07Å; F71-V74 WeakPolarHBondContact O-CA 3.4Å; F71-V74 PolarHBondContact O-N 3.2Å; F71-I75 HydrophobicContact CB-CG1 4.13Å; F71-I75 WeakPolarHBondContact O-CG1 3.22Å; F71-I75 PolarHBondContact O-N 3.33Å; F71-F100 HydrophobicContact CB-CE1 4.27Å; F71-F100 HydrophobicContact CB-CE2 4.37Å; F71-F100 HydrophobicContact CB-CZ 3.64Å | ||
| 72 | G | 96.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -43.1 | -56 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V74 I75 M76 | G72-V74 VanDerWaalsContact C-N 3.32Å; G72-V74 PolarHBondContact O-N 3.25Å; G72-I75 PolarHBondContact O-N 3.48Å; G72-M76 PolarHBondContact O-N 3.06Å |
| 73 | P | 97.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 81.9 Ų | 81.9 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 178.9 | -26.9 | 35.7 | 0 | 0 | 0 | 114.4 | R77 T105 C106 | P73-R77 WeakPolarHBondContact O-CB 3.35Å; P73-R77 PolarHBondContact O-N 2.97Å; P73-R77 VanDerWaalsContact O-N 3.11Å; P73-T105 HydrophobicContact CB-CG2 4.3Å; P73-C106 VanDerWaalsContact N-SG 3.38Å |
| 74 | V | 96.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 76 Ų | 76 | 28% | 0.279 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73.6 | -42.1 | -179.1 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | V38 Y69 F71 G72 R77 L78 | V38-V74 HydrophobicContact CG1-CG1 3.76Å; Y69-V74 HydrophobicContact CE1-CG2 4.17Å; F71-V74 WeakPolarHBondContact O-CA 3.4Å; F71-V74 PolarHBondContact O-N 3.2Å; G72-V74 VanDerWaalsContact C-N 3.32Å; G72-V74 PolarHBondContact O-N 3.25Å; V74-R77 PolarHBondContact O-N 3.43Å; V74-L78 PolarHBondContact O-N 2.91Å |
| 75 | I | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 176.3 | -63.1 | -64.2 | 0 | 0 | 0 | 110.9 | F34 V38 I50 F71 G72 R77 L78 F79 F100 F101 | F34-I75 HydrophobicContact CE2-CD1 3.94Å; F34-I75 HydrophobicContact CZ-CD1 4.03Å; V38-I75 HydrophobicContact CG2-CD1 3.41Å; V38-I75 VanDerWaalsContact CG2-CD1 3.41Å; I50-I75 HydrophobicContact CG2-CD1 3.72Å; F71-I75 HydrophobicContact CB-CG1 4.13Å; F71-I75 WeakPolarHBondContact O-CG1 3.22Å; F71-I75 PolarHBondContact O-N 3.33Å; G72-I75 PolarHBondContact O-N 3.48Å; I75-R77 VanDerWaalsContact C-N 3.26Å; I75-R77 PolarHBondContact O-N 3.37Å; I75-L78 WeakPolarHBondContact O-CB 3.36Å; I75-L78 PolarHBondContact O-N 3.4Å; I75-F79 HydrophobicContact CG2-CD2 4.05Å; I75-F79 HydrophobicContact CG2-CE1 4.4Å; I75-F79 HydrophobicContact CG2-CE2 3.44Å; I75-F79 VanDerWaalsContact CG2-CE2 3.44Å; I75-F79 HydrophobicContact CG2-CZ 3.65Å; I75-F79 WeakPolarHBondContact O-CG 3.46Å; I75-F79 PolarHBondContact O-N 3.05Å; I75-F100 HydrophobicContact CG1-CE1 4.46Å; I75-F101 HydrophobicContact CB-CE1 4.07Å; I75-F101 HydrophobicContact CG2-CE1 3.91Å; I75-F101 HydrophobicContact CG2-CZ 4.06Å |
| 76 | M | 98.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -35.3 | 175.7 | -73.5 | -63.3 | 133.7 | 0 | 0 | 112.2 | G72 F79 H80 A88 M91 I92 F101 C106 V109 C110 | G72-M76 PolarHBondContact O-N 3.06Å; M76-F79 HydrophobicContact CE-CD2 3.81Å; M76-F79 HydrophobicContact CE-CE2 3.88Å; M76-F79 PolarHBondContact O-N 3.49Å; M76-F79 HydrophobicContact SD-CD2 4.19Å; M76-H80 WeakPolarHBondContact O-CB 3.28Å; M76-H80 PolarHBondContact O-N 2.9Å; M76-A88 HydrophobicContact SD-CB 4.18Å; M76-M91 HydrophobicContact CE-CB 4.03Å; M76-I92 HydrophobicContact CE-CB 4.29Å; M76-F101 HydrophobicContact CE-CD1 3.58Å; M76-F101 HydrophobicContact CE-CD2 4.46Å; M76-F101 HydrophobicContact CE-CE1 3.33Å; M76-F101 HydrophobicContact CE-CE2 4.25Å; M76-F101 HydrophobicContact CE-CG 4.16Å; M76-F101 HydrophobicContact CE-CZ 3.7Å; M76-F101 HydrophobicContact CG-CD1 3.97Å; M76-F101 HydrophobicContact CG-CE1 4.19Å; M76-C106 HydrophobicContact CG-CB 4Å; M76-V109 HydrophobicContact CB-CB 4.3Å; M76-V109 HydrophobicContact CB-CG1 4.05Å; M76-V109 WeakPolarHBondContact O-CG1 3.43Å; M76-C110 HydrophobicContact SD-CB 4.09Å |
| 77 | R | 97.7 | Very high | 93.9 | Very high | 150 Ų | 150 | 63.3 Ų | 63.3 | 57% | 0.566 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.1 | -34.2 | 176.3 | -157.2 | -178.5 | -69.9 | 168 | -4.4 | 112.5 | P73 V74 I75 H80 T81 | P73-R77 WeakPolarHBondContact O-CB 3.35Å; P73-R77 PolarHBondContact O-N 2.97Å; P73-R77 VanDerWaalsContact O-N 3.11Å; V74-R77 PolarHBondContact O-N 3.43Å; I75-R77 VanDerWaalsContact C-N 3.26Å; I75-R77 PolarHBondContact O-N 3.37Å; R77-H80 PolarHBondContact O-N 2.98Å; R77-T81 WeakPolarHBondContact O-CB 3.34Å; R77-T81 PolarHBondContact O-N 3.03Å; R77-T81 PolarHBondContact O-OG1 3.32Å |
| 78 | L | 97.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -52.9 | 169.9 | 172 | 66 | 0 | 0 | 0 | 110 | V38 A41 F47 I50 V74 I75 H80 T81 S82 | V38-L78 HydrophobicContact CG1-CB 4.28Å; V38-L78 HydrophobicContact CG1-CD2 4.15Å; A41-L78 HydrophobicContact CB-CD1 4.43Å; A41-L78 HydrophobicContact CB-CD2 4.2Å; F47-L78 HydrophobicContact CD1-CD2 4.22Å; F47-L78 HydrophobicContact CD1-CG 4.47Å; F47-L78 HydrophobicContact CE1-CD1 3.97Å; F47-L78 HydrophobicContact CE1-CD2 3.99Å; F47-L78 HydrophobicContact CE1-CG 3.85Å; F47-L78 HydrophobicContact CZ-CD1 4.5Å; I50-L78 HydrophobicContact CD1-CD2 3.57Å; V74-L78 PolarHBondContact O-N 2.91Å; I75-L78 WeakPolarHBondContact O-CB 3.36Å; I75-L78 PolarHBondContact O-N 3.4Å; L78-H80 VanDerWaalsContact C-N 3.26Å; L78-H80 PolarHBondContact O-N 3.23Å; L78-T81 PolarHBondContact O-N 3.49Å; L78-S82 WeakPolarHBondContact O-CB 3.41Å; L78-S82 PolarHBondContact O-N 3.45Å; L78-S82 PolarHBondContact O-OG 3.16Å |
| 79 | F | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -36.9 | 177.7 | -61.5 | -31 | 0 | 0 | 0 | 112.8 | F47 I75 M76 S82 K83 R84 M87 A88 M91 | F47-F79 HydrophobicContact CD1-CD1 4.2Å; F47-F79 HydrophobicContact CD1-CE1 4.1Å; I75-F79 HydrophobicContact CG2-CD2 4.05Å; I75-F79 HydrophobicContact CG2-CE1 4.4Å; I75-F79 HydrophobicContact CG2-CE2 3.44Å; I75-F79 VanDerWaalsContact CG2-CE2 3.44Å; I75-F79 HydrophobicContact CG2-CZ 3.65Å; I75-F79 WeakPolarHBondContact O-CG 3.46Å; I75-F79 PolarHBondContact O-N 3.05Å; M76-F79 HydrophobicContact CE-CD2 3.81Å; M76-F79 HydrophobicContact CE-CE2 3.88Å; M76-F79 PolarHBondContact O-N 3.49Å; M76-F79 HydrophobicContact SD-CD2 4.19Å; F79-S82 CarbonylContact O-C 3.55Å; F79-K83 PolarHBondContact O-N 3.15Å; F79-R84 HydrophobicContact CB-CB 4.38Å; F79-R84 HydrophobicContact CD1-CB 4.39Å; F79-R84 PolarHBondContact O-N 3.45Å; F79-M87 HydrophobicContact CD1-CB 4.32Å; F79-M87 HydrophobicContact CE1-CB 4.15Å; F79-M87 HydrophobicContact CE1-CE 4.11Å; F79-M87 HydrophobicContact CE1-SD 4.39Å; F79-M87 HydrophobicContact CE2-CB 4.46Å; F79-M87 HydrophobicContact CZ-CB 4.22Å; F79-M87 HydrophobicContact CZ-CE 4.3Å; F79-A88 HydrophobicContact CB-CB 3.99Å; F79-A88 HydrophobicContact CD2-CB 4.03Å; F79-A88 HydrophobicContact CG-CB 4.4Å; F79-M91 HydrophobicContact CE2-CB 4.16Å; F79-M91 HydrophobicContact CE2-CG 3.91Å; F79-M91 HydrophobicContact CZ-CG 4.15Å |
| 80 | H | 98.1 | Very high | 97 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 174.6 | -175.9 | -76.5 | 0 | 0 | 0 | 112.4 | M76 R77 L78 S82 K83 V109 D112 L113 | M76-H80 WeakPolarHBondContact O-CB 3.28Å; M76-H80 PolarHBondContact O-N 2.9Å; R77-H80 PolarHBondContact O-N 2.98Å; L78-H80 VanDerWaalsContact C-N 3.26Å; L78-H80 PolarHBondContact O-N 3.23Å; H80-S82 VanDerWaalsContact C-N 3.29Å; H80-S82 PolarHBondContact O-N 3.02Å; H80-K83 PolarHBondContact O-N 3.31Å; H80-K83 VanDerWaalsContact O-N 3.14Å; H80-V109 HydrophobicContact CB-CG1 3.7Å; H80-V109 PolarHBondContact CD2-O 2.75Å; H80-D112 IonicContact CD2-OD2 2.64Å; H80-D112 IonicContact CE1-OD2 3.11Å; H80-D112 IonicContact NE2-OD2 2.75Å; H80-D112 PolarHBondContact NE2-OD2 3.3Å; H80-L113 HydrophobicContact CB-CB 4.47Å |
| 81 | T | 96.6 | Very high | 97.3 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 68% | 0.681 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.9 | -33.8 | -178.2 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | R77 L78 K83 | R77-T81 WeakPolarHBondContact O-CB 3.34Å; R77-T81 PolarHBondContact O-N 3.03Å; R77-T81 PolarHBondContact O-OG1 3.32Å; L78-T81 PolarHBondContact O-N 3.49Å; T81-K83 VanDerWaalsContact C-N 3.35Å |
| 82 | S | 96.5 | Very high | 97.4 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 33% | 0.329 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 5.4 | 176.8 | -54 | 0 | 0 | 0 | 0 | 114 | F47 L78 F79 H80 R84 | F47-S82 WeakPolarHBondContact CZ-OG 3.09Å; L78-S82 WeakPolarHBondContact O-CB 3.41Å; L78-S82 PolarHBondContact O-N 3.45Å; L78-S82 PolarHBondContact O-OG 3.16Å; F79-S82 CarbonylContact O-C 3.55Å; H80-S82 VanDerWaalsContact C-N 3.29Å; H80-S82 PolarHBondContact O-N 3.02Å; S82-R84 VanDerWaalsContact C-N 3.28Å; S82-R84 PolarHBondContact O-N 3.04Å |
| 83 | K | 96.7 | Very high | 97.4 | Very high | 135 Ų | 135 | 50.7 Ų | 50.7 | 59% | 0.587 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 35.6 | 179.5 | -57.8 | -175.3 | 168.4 | -149.8 | 0 | 115.4 | F79 H80 T81 C85 E117 | F79-K83 PolarHBondContact O-N 3.15Å; H80-K83 PolarHBondContact O-N 3.31Å; H80-K83 VanDerWaalsContact O-N 3.14Å; T81-K83 VanDerWaalsContact C-N 3.35Å; K83-C85 PolarHBondContact O-N 3.33Å; K83-E117 WeakPolarHBondContact CD-OE1 3.18Å; K83-E117 WeakPolarHBondContact CE-OE1 3.11Å; K83-E117 IonicContact NZ-OE1 3.33Å; K83-E117 PolarHBondContact NZ-OE1 3.24Å |
| 84 | R | 96.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 21% | 0.208 | 25% | 0.245 | C | C | . | . | trans | -91.7 | 73.4 | -178 | -64.6 | -168.4 | 177.7 | -91 | -6.2 | 112.1 | D44 F47 F79 S82 D86 M87 A88 | D44-R84 IonicContact OD1-CZ 3.36Å; D44-R84 IonicContact OD1-NH1 2.68Å; D44-R84 PolarHBondContact OD1-NH1 3.18Å; D44-R84 IonicContact OD1-NH2 3.19Å; D44-R84 PolarHBondContact OD1-NH2 3.02Å; F47-R84 VanDerWaalsContact CE2-CZ 3.49Å; F47-R84 VanDerWaalsContact CZ-NE 3.34Å; F79-R84 HydrophobicContact CB-CB 4.38Å; F79-R84 HydrophobicContact CD1-CB 4.39Å; F79-R84 PolarHBondContact O-N 3.45Å; S82-R84 VanDerWaalsContact C-N 3.28Å; S82-R84 PolarHBondContact O-N 3.04Å; R84-D86 PolarHBondContact O-N 3.13Å; R84-M87 HydrophobicContact CB-CB 4.14Å; R84-M87 HydrophobicContact CB-CG 4.37Å; R84-M87 PolarHBondContact O-N 2.98Å; R84-A88 WeakPolarHBondContact O-CB 3.47Å; R84-A88 PolarHBondContact O-N 3.45Å | ||
| 85 | C | 97.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 10% | 0.101 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.9 | -50.7 | -180 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | K83 M87 A88 K89 L114 E117 | K83-C85 PolarHBondContact O-N 3.33Å; C85-M87 VanDerWaalsContact C-N 3.32Å; C85-M87 PolarHBondContact O-N 2.92Å; C85-A88 PolarHBondContact O-N 2.95Å; C85-K89 WeakPolarHBondContact O-CB 3.49Å; C85-K89 PolarHBondContact O-N 3.21Å; C85-L114 HydrophobicContact CB-CD2 3.84Å; C85-E117 VanDerWaalsContact SG-CB 3.57Å; C85-E117 VanDerWaalsContact SG-CG 3.59Å |
| 86 | D | 97.2 | Very high | 97 | Very high | 119 Ų | 119 | 61.5 Ų | 61.5 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.7 | -41.9 | -176.2 | -64.8 | -27.6 | 0 | 0 | 0 | 112.2 | R84 R90 | R84-D86 PolarHBondContact O-N 3.13Å; D86-R90 WeakPolarHBondContact O-CB 3.32Å; D86-R90 PolarHBondContact O-N 3.49Å |
| 87 | M | 97.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 61.6 Ų | 61.6 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 178 | -64.7 | -166.9 | 72.1 | 0 | 0 | 111.4 | F47 E51 F79 R84 C85 K89 R90 M91 | F47-M87 HydrophobicContact CB-CE 3.72Å; F47-M87 HydrophobicContact CB-SD 3.61Å; F47-M87 HydrophobicContact CG-SD 4.37Å; E51-M87 HydrophobicContact CB-CE 4.4Å; F79-M87 HydrophobicContact CD1-CB 4.32Å; F79-M87 HydrophobicContact CE1-CB 4.15Å; F79-M87 HydrophobicContact CE1-CE 4.11Å; F79-M87 HydrophobicContact CE1-SD 4.39Å; F79-M87 HydrophobicContact CE2-CB 4.46Å; F79-M87 HydrophobicContact CZ-CB 4.22Å; F79-M87 HydrophobicContact CZ-CE 4.3Å; R84-M87 HydrophobicContact CB-CB 4.14Å; R84-M87 HydrophobicContact CB-CG 4.37Å; R84-M87 PolarHBondContact O-N 2.98Å; C85-M87 VanDerWaalsContact C-N 3.32Å; C85-M87 PolarHBondContact O-N 2.92Å; M87-K89 VanDerWaalsContact C-N 3.35Å; M87-K89 PolarHBondContact O-N 3.49Å; M87-R90 PolarHBondContact O-N 3.27Å; M87-M91 VanDerWaalsContact O-CB 3.23Å; M87-M91 WeakPolarHBondContact O-CB 2.99Å; M87-M91 WeakPolarHBondContact O-CG 3.37Å; M87-M91 PolarHBondContact O-N 2.79Å |
| 88 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M76 F79 R84 C85 I92 L113 | M76-A88 HydrophobicContact SD-CB 4.18Å; F79-A88 HydrophobicContact CB-CB 3.99Å; F79-A88 HydrophobicContact CD2-CB 4.03Å; F79-A88 HydrophobicContact CG-CB 4.4Å; R84-A88 WeakPolarHBondContact O-CB 3.47Å; R84-A88 PolarHBondContact O-N 3.45Å; C85-A88 PolarHBondContact O-N 2.95Å; A88-I92 WeakPolarHBondContact O-CB 3.48Å; A88-I92 VanDerWaalsContact O-CG2 3.29Å; A88-I92 WeakPolarHBondContact O-CG2 3.33Å; A88-I92 PolarHBondContact O-N 2.95Å; A88-L113 HydrophobicContact CB-CD2 3.77Å |
| 89 | K | 98 | Very high | 96.3 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 23% | 0.226 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.7 | -51 | 177 | -173.2 | -174 | -174.9 | 179.4 | 0 | 111.1 | C85 M87 M91 I92 M93 D122 D125 | C85-K89 WeakPolarHBondContact O-CB 3.49Å; C85-K89 PolarHBondContact O-N 3.21Å; M87-K89 VanDerWaalsContact C-N 3.35Å; M87-K89 PolarHBondContact O-N 3.49Å; K89-M91 VanDerWaalsContact C-N 3.33Å; K89-M91 PolarHBondContact O-N 3.3Å; K89-I92 WeakPolarHBondContact O-CG2 3.47Å; K89-I92 PolarHBondContact O-N 3.31Å; K89-M93 HydrophobicContact CG-CG 4.27Å; K89-M93 VanDerWaalsContact O-CB 3.3Å; K89-M93 WeakPolarHBondContact O-CB 3.29Å; K89-M93 WeakPolarHBondContact O-CG 3.35Å; K89-M93 PolarHBondContact O-N 3.41Å; K89-M93 VanDerWaalsContact O-N 3.16Å; K89-D122 HydrophobicContact CD-CB 3.93Å; K89-D122 VanDerWaalsContact NZ-CG 3.34Å; K89-D122 IonicContact NZ-OD1 3.8Å; K89-D122 PolarHBondContact NZ-OD1 2.93Å; K89-D125 WeakPolarHBondContact CE-OD2 3.23Å; K89-D125 IonicContact NZ-OD2 2.8Å; K89-D125 PolarHBondContact NZ-OD2 3.43Å |
| 90 | R | 97.3 | Very high | 96.1 | Very high | 136 Ų | 136 | 63.6 Ų | 63.6 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.3 | -48.3 | -179 | -172.7 | -170.9 | -52.2 | 159.6 | 2.8 | 111.4 | E51 D86 M87 M93 D94 | E51-R90 IonicContact OE2-NH1 3.11Å; D86-R90 WeakPolarHBondContact O-CB 3.32Å; D86-R90 PolarHBondContact O-N 3.49Å; M87-R90 PolarHBondContact O-N 3.27Å; R90-M93 PolarHBondContact O-N 2.93Å; R90-D94 WeakPolarHBondContact O-CB 3.41Å; R90-D94 PolarHBondContact O-N 3.36Å |
| 91 | M | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.8 | -39.4 | -175.4 | -69.1 | -67.2 | -72.8 | 0 | 0 | 113.2 | E51 C54 M76 F79 M87 K89 M93 D94 L97 F101 | E51-M91 HydrophobicContact CB-CE 4.25Å; E51-M91 HydrophobicContact CB-SD 4.05Å; E51-M91 HydrophobicContact CG-CE 4.08Å; E51-M91 HydrophobicContact CG-SD 3.51Å; E51-M91 VanDerWaalsContact CG-SD 3.51Å; C54-M91 HydrophobicContact CB-CE 3.57Å; M76-M91 HydrophobicContact CE-CB 4.03Å; F79-M91 HydrophobicContact CE2-CB 4.16Å; F79-M91 HydrophobicContact CE2-CG 3.91Å; F79-M91 HydrophobicContact CZ-CG 4.15Å; M87-M91 VanDerWaalsContact O-CB 3.23Å; M87-M91 WeakPolarHBondContact O-CB 2.99Å; M87-M91 WeakPolarHBondContact O-CG 3.37Å; M87-M91 PolarHBondContact O-N 2.79Å; K89-M91 VanDerWaalsContact C-N 3.33Å; K89-M91 PolarHBondContact O-N 3.3Å; M91-M93 VanDerWaalsContact C-N 3.3Å; M91-D94 WeakPolarHBondContact O-CB 3.32Å; M91-D94 PolarHBondContact O-N 3.25Å; M91-L97 HydrophobicContact CE-CD1 3.34Å; M91-L97 HydrophobicContact SD-CD1 3.85Å; M91-F101 HydrophobicContact CB-CE2 3.81Å; M91-F101 HydrophobicContact CB-CZ 4.01Å; M91-F101 HydrophobicContact CE-CE2 4.06Å; M91-F101 HydrophobicContact CE-CZ 3.98Å; M91-F101 VanDerWaalsContact O-CD2 3.26Å; M91-F101 WeakPolarHBondContact O-CD2 3.41Å; M91-F101 VanDerWaalsContact O-CE2 3.31Å; M91-F101 WeakPolarHBondContact O-CE2 3.49Å |
| 92 | I | 97.4 | Very high | 96 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.7 | -25.7 | -179.7 | -158.9 | 166.1 | 0 | 0 | 0 | 112.6 | M76 A88 K89 F101 C106 F107 C110 V126 | M76-I92 HydrophobicContact CE-CB 4.29Å; A88-I92 WeakPolarHBondContact O-CB 3.48Å; A88-I92 VanDerWaalsContact O-CG2 3.29Å; A88-I92 WeakPolarHBondContact O-CG2 3.33Å; A88-I92 PolarHBondContact O-N 2.95Å; K89-I92 WeakPolarHBondContact O-CG2 3.47Å; K89-I92 PolarHBondContact O-N 3.31Å; I92-F101 HydrophobicContact CG1-CB 4.04Å; I92-C106 HydrophobicContact CD1-CB 4.39Å; I92-F107 HydrophobicContact CD1-CB 4.5Å; I92-F107 HydrophobicContact CD1-CD1 3.58Å; I92-F107 HydrophobicContact CD1-CE1 3.94Å; I92-F107 HydrophobicContact CD1-CG 4.08Å; I92-F107 HydrophobicContact CG1-CD1 4.18Å; I92-F107 HydrophobicContact CG1-CE1 4.02Å; I92-C110 HydrophobicContact CD1-CB 3.79Å; I92-V126 HydrophobicContact CD1-CG1 4.19Å; I92-V126 HydrophobicContact CG2-CG1 4.39Å; I92-V126 HydrophobicContact CG2-CG2 4Å |
| 93 | M | 96.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.1 | 178.9 | -58.6 | -66.3 | -63.8 | 0 | 0 | 112.6 | K89 R90 M91 E95 V126 A129 | K89-M93 HydrophobicContact CG-CG 4.27Å; K89-M93 VanDerWaalsContact O-CB 3.3Å; K89-M93 WeakPolarHBondContact O-CB 3.29Å; K89-M93 WeakPolarHBondContact O-CG 3.35Å; K89-M93 PolarHBondContact O-N 3.41Å; K89-M93 VanDerWaalsContact O-N 3.16Å; R90-M93 PolarHBondContact O-N 2.93Å; M91-M93 VanDerWaalsContact C-N 3.3Å; M93-E95 PolarHBondContact O-N 3.36Å; M93-V126 HydrophobicContact SD-CG2 4.32Å; M93-A129 HydrophobicContact CE-CB 3.76Å; M93-A129 HydrophobicContact SD-CB 3.32Å; M93-A129 WeakPolarHBondContact SD-CB 3.47Å |
| 94 | D | 96.3 | Very high | 95.9 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | trans | -79.6 | 115.7 | -176.4 | -163.5 | -34.4 | 0 | 0 | 0 | 111.1 | R55 R90 M91 D96 L97 R98 | R55-D94 IonicContact CZ-OD2 3.99Å; R55-D94 IonicContact NH1-OD1 3.38Å; R55-D94 IonicContact NH1-OD2 2.89Å; R55-D94 PolarHBondContact NH1-OD2 3.29Å; R55-D94 IonicContact NH2-OD2 2.69Å; R55-D94 PolarHBondContact NH2-OD2 2.69Å; R90-D94 WeakPolarHBondContact O-CB 3.41Å; R90-D94 PolarHBondContact O-N 3.36Å; M91-D94 WeakPolarHBondContact O-CB 3.32Å; M91-D94 PolarHBondContact O-N 3.25Å; D94-D96 VanDerWaalsContact C-N 3.26Å; D94-D96 PolarHBondContact O-N 2.93Å; D94-D96 WeakPolarHBondContact OD1-CB 3.43Å; D94-D96 PolarHBondContact OD1-N 3.29Å; D94-L97 HydrophobicContact CB-CB 4.22Å; D94-L97 HydrophobicContact CB-CD1 4.19Å; D94-L97 HydrophobicContact CB-CG 4.32Å; D94-L97 CarbonylContact O-C 3.55Å; D94-L97 PolarHBondContact O-N 2.97Å; D94-L97 VanDerWaalsContact O-N 3.08Å; D94-R98 PolarHBondContact O-N 3.16Å | ||
| 95 | E | 93.7 | Very high | 96 | Very high | 142 Ų | 142 | 54.9 Ų | 54.9 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -66 | -27.6 | 179.7 | -66 | -64.5 | 154.9 | 0 | 0 | 112.5 | M93 L97 R98 | M93-E95 PolarHBondContact O-N 3.36Å; E95-L97 PolarHBondContact O-N 3.33Å; E95-R98 VanDerWaalsContact O-CB 3.26Å; E95-R98 WeakPolarHBondContact O-CB 3.35Å; E95-R98 PolarHBondContact O-N 3.41Å |
| 96 | D | 93.3 | Very high | 96 | Very high | 126 Ų | 126 | 54.2 Ų | 54.2 | 67% | 0.674 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -71.1 | -16.4 | 175.6 | -65.4 | -27.8 | 0 | 0 | 0 | 111.9 | H58 D94 | H58-D96 PolarHBondContact CD2-O 2.92Å; H58-D96 VanDerWaalsContact CD2-O 3.32Å; D94-D96 VanDerWaalsContact C-N 3.26Å; D94-D96 PolarHBondContact O-N 2.93Å; D94-D96 WeakPolarHBondContact OD1-CB 3.43Å; D94-D96 PolarHBondContact OD1-N 3.29Å |
| 97 | L | 94.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -106.5 | 18.6 | 176 | -64.3 | 176.2 | 0 | 0 | 0 | 112.3 | R55 H58 M91 D94 E95 G99 F100 F101 | R55-L97 HydrophobicContact CB-CD2 4.43Å; R55-L97 HydrophobicContact CG-CD1 4.46Å; R55-L97 HydrophobicContact CG-CD2 4.03Å; R55-L97 HydrophobicContact CG-CG 4.46Å; H58-L97 HydrophobicContact CB-CD2 3.98Å; M91-L97 HydrophobicContact CE-CD1 3.34Å; M91-L97 HydrophobicContact SD-CD1 3.85Å; D94-L97 HydrophobicContact CB-CB 4.22Å; D94-L97 HydrophobicContact CB-CD1 4.19Å; D94-L97 HydrophobicContact CB-CG 4.32Å; D94-L97 CarbonylContact O-C 3.55Å; D94-L97 PolarHBondContact O-N 2.97Å; D94-L97 VanDerWaalsContact O-N 3.08Å; E95-L97 PolarHBondContact O-N 3.33Å; L97-G99 PolarHBondContact O-N 3.21Å; L97-F100 HydrophobicContact CB-CB 4.24Å; L97-F100 WeakPolarHBondContact O-CB 3.31Å; L97-F100 PolarHBondContact O-N 3.17Å; L97-F101 HydrophobicContact CB-CD2 4.37Å; L97-F101 HydrophobicContact CB-CE2 4.32Å; L97-F101 HydrophobicContact CD1-CE2 3.85Å |
| 98 | R | 91.9 | Very high | 96.1 | Very high | 158 Ų | 158 | 49.8 Ų | 49.8 | 60% | 0.596 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 126.2 | 178.7 | -175.6 | 174.2 | 176.4 | -173.7 | -0.9 | 111.1 | H58 D94 E95 F100 | H58-R98 PolarHBondContact CE1-O 3.13Å; H58-R98 VanDerWaalsContact CE1-O 3.26Å; H58-R98 PolarHBondContact NE2-O 3.35Å; D94-R98 PolarHBondContact O-N 3.16Å; E95-R98 VanDerWaalsContact O-CB 3.26Å; E95-R98 WeakPolarHBondContact O-CB 3.35Å; E95-R98 PolarHBondContact O-N 3.41Å; R98-F100 VanDerWaalsContact C-N 3.32Å |
| 99 | G | 91.3 | Very high | 96.1 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 38% | 0.381 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -21.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L97 | L97-G99 PolarHBondContact O-N 3.21Š|
| 100 | F | 94.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -42.3 | 176 | -170.8 | -87.9 | 0 | 0 | 0 | 111.9 | F34 C54 Y57 H58 F71 I75 L97 R98 Y103 | F34-F100 HydrophobicContact CE1-CZ 4.37Å; C54-F100 HydrophobicContact CB-CE1 4.24Å; C54-F100 HydrophobicContact CB-CZ 4.04Å; Y57-F100 HydrophobicContact CD1-CE2 4.12Å; H58-F100 HydrophobicContact CB-CD2 3.72Å; H58-F100 HydrophobicContact CB-CE2 4.33Å; H58-F100 AromaticContact ND1-CD2 3.86Å; F71-F100 HydrophobicContact CB-CE1 4.27Å; F71-F100 HydrophobicContact CB-CE2 4.37Å; F71-F100 HydrophobicContact CB-CZ 3.64Å; I75-F100 HydrophobicContact CG1-CE1 4.46Å; L97-F100 HydrophobicContact CB-CB 4.24Å; L97-F100 WeakPolarHBondContact O-CB 3.31Å; L97-F100 PolarHBondContact O-N 3.17Å; R98-F100 VanDerWaalsContact C-N 3.32Å; F100-Y103 WeakPolarHBondContact O-CE2 3.35Å |
| 101 | F | 96.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -103.5 | 9.3 | 177.7 | -60.8 | -71 | 0 | 0 | 0 | 113.7 | I75 M76 M91 I92 L97 Y103 C106 | I75-F101 HydrophobicContact CB-CE1 4.07Å; I75-F101 HydrophobicContact CG2-CE1 3.91Å; I75-F101 HydrophobicContact CG2-CZ 4.06Å; M76-F101 HydrophobicContact CE-CD1 3.58Å; M76-F101 HydrophobicContact CE-CD2 4.46Å; M76-F101 HydrophobicContact CE-CE1 3.33Å; M76-F101 HydrophobicContact CE-CE2 4.25Å; M76-F101 HydrophobicContact CE-CG 4.16Å; M76-F101 HydrophobicContact CE-CZ 3.7Å; M76-F101 HydrophobicContact CG-CD1 3.97Å; M76-F101 HydrophobicContact CG-CE1 4.19Å; M91-F101 HydrophobicContact CB-CE2 3.81Å; M91-F101 HydrophobicContact CB-CZ 4.01Å; M91-F101 HydrophobicContact CE-CE2 4.06Å; M91-F101 HydrophobicContact CE-CZ 3.98Å; M91-F101 VanDerWaalsContact O-CD2 3.26Å; M91-F101 WeakPolarHBondContact O-CD2 3.41Å; M91-F101 VanDerWaalsContact O-CE2 3.31Å; M91-F101 WeakPolarHBondContact O-CE2 3.49Å; I92-F101 HydrophobicContact CG1-CB 4.04Å; L97-F101 HydrophobicContact CB-CD2 4.37Å; L97-F101 HydrophobicContact CB-CE2 4.32Å; L97-F101 HydrophobicContact CD1-CE2 3.85Å; F101-Y103 PolarHBondContact O-N 3.42Å; F101-C106 HydrophobicContact CB-CB 4.24Å; F101-C106 WeakPolarHBondContact O-CB 3.21Å |
| 102 | D | 95.2 | Very high | 96.2 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | trans | -77.7 | 63 | -177.9 | -164.3 | -4.1 | 0 | 0 | 0 | 111.9 | S133 E134 S135 | D102-S133 WeakPolarHBondContact OD1-CB 3.31Å; D102-E134 VanDerWaalsContact OD2-CB 3.24Å; D102-E134 WeakPolarHBondContact OD2-CB 3.45Å; D102-E134 PolarHBondContact OD2-N 2.93Å; D102-S135 VanDerWaalsContact C-OG 3.25Å; D102-S135 PolarHBondContact O-OG 2.81Å; D102-S135 VanDerWaalsContact O-OG 3.09Å; D102-S135 WeakPolarHBondContact OD1-CB 3.35Å; D102-S135 PolarHBondContact OD1-N 3.41Å; D102-S135 PolarHBondContact OD1-OG 2.69Å | ||
| 103 | Y | 95.6 | Very high | 96.3 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 27% | 0.271 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -136.1 | 134.7 | 173.4 | -57.8 | -83 | 0 | 0 | 0 | 108 | R70 F100 F101 T105 C106 F107 S135 | R70-Y103 WeakPolarHBondContact CD-OH 3.45Å; R70-Y103 HydrophobicContact CG-CE1 4.39Å; R70-Y103 WeakPolarHBondContact CG-OH 3.37Å; F100-Y103 WeakPolarHBondContact O-CE2 3.35Å; F101-Y103 PolarHBondContact O-N 3.42Å; Y103-T105 PolarHBondContact O-N 3.34Å; Y103-C106 VanDerWaalsContact O-CB 3.29Å; Y103-C106 WeakPolarHBondContact O-CB 3.43Å; Y103-C106 PolarHBondContact O-N 2.85Å; Y103-F107 VanDerWaalsContact O-CD2 3.24Å; Y103-F107 WeakPolarHBondContact O-CD2 3.48Å; Y103-F107 PolarHBondContact O-N 3.01Å; Y103-S135 PolarHBondContact N-OG 2.92Å |
| 104 | L | 97 | Very high | 96.4 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -46.7 | -40.2 | 177.3 | 174.1 | 57 | 0 | 0 | 0 | 113.4 | C106 F107 T108 Y130 I139 P142 L145 | L104-C106 VanDerWaalsContact C-N 3.32Å; L104-C106 PolarHBondContact O-N 3.32Å; L104-F107 PolarHBondContact O-N 3.13Å; L104-T108 WeakPolarHBondContact O-CB 3.21Å; L104-T108 PolarHBondContact O-N 3.19Å; L104-T108 PolarHBondContact O-OG1 2.97Å; L104-Y130 HydrophobicContact CD1-CE2 4.24Å; L104-I139 HydrophobicContact CD2-CD1 4.01Å; L104-I139 HydrophobicContact CD2-CG2 4.23Å; L104-P142 HydrophobicContact CD1-CB 3.69Å; L104-P142 HydrophobicContact CD1-CG 3.44Å; L104-P142 VanDerWaalsContact CD1-CG 3.44Å; L104-P142 HydrophobicContact CD2-CB 3.82Å; L104-P142 HydrophobicContact CD2-CG 4.46Å; L104-P142 HydrophobicContact CG-CB 4.42Å; L104-L145 HydrophobicContact CD1-CD1 3.9Å; L104-L145 HydrophobicContact CD1-CG 4.11Å |
| 105 | T | 97.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.4 | -37.7 | 178.1 | -53.9 | 0 | 0 | 0 | 0 | 112.6 | P73 Y103 T108 V109 | P73-T105 HydrophobicContact CB-CG2 4.3Å; Y103-T105 PolarHBondContact O-N 3.34Å; T105-T108 PolarHBondContact O-N 3.45Å; T105-V109 HydrophobicContact CG2-CG2 4.16Å; T105-V109 WeakPolarHBondContact O-CB 3.34Å; T105-V109 VanDerWaalsContact O-CG2 3.23Å; T105-V109 WeakPolarHBondContact O-CG2 3.24Å; T105-V109 PolarHBondContact O-N 3.33Å |
| 106 | C | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -50.5 | 177.3 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | P73 M76 I92 F101 Y103 L104 T108 V109 C110 | P73-C106 VanDerWaalsContact N-SG 3.38Å; M76-C106 HydrophobicContact CG-CB 4Å; I92-C106 HydrophobicContact CD1-CB 4.39Å; F101-C106 HydrophobicContact CB-CB 4.24Å; F101-C106 WeakPolarHBondContact O-CB 3.21Å; Y103-C106 VanDerWaalsContact O-CB 3.29Å; Y103-C106 WeakPolarHBondContact O-CB 3.43Å; Y103-C106 PolarHBondContact O-N 2.85Å; L104-C106 VanDerWaalsContact C-N 3.32Å; L104-C106 PolarHBondContact O-N 3.32Å; C106-T108 VanDerWaalsContact C-N 3.34Å; C106-T108 PolarHBondContact O-N 3.25Å; C106-V109 PolarHBondContact O-N 3.32Å; C106-C110 VanDerWaalsContact O-CB 3.25Å; C106-C110 WeakPolarHBondContact O-CB 3.49Å; C106-C110 PolarHBondContact O-N 3.04Å |
| 107 | F | 98.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 4% | 0.044 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 177.1 | -61.7 | -80.6 | 0 | 0 | 0 | 111.7 | I92 Y103 L104 C110 M111 V126 Y130 L145 | I92-F107 HydrophobicContact CD1-CB 4.5Å; I92-F107 HydrophobicContact CD1-CD1 3.58Å; I92-F107 HydrophobicContact CD1-CE1 3.94Å; I92-F107 HydrophobicContact CD1-CG 4.08Å; I92-F107 HydrophobicContact CG1-CD1 4.18Å; I92-F107 HydrophobicContact CG1-CE1 4.02Å; Y103-F107 VanDerWaalsContact O-CD2 3.24Å; Y103-F107 WeakPolarHBondContact O-CD2 3.48Å; Y103-F107 PolarHBondContact O-N 3.01Å; L104-F107 PolarHBondContact O-N 3.13Å; F107-C110 PolarHBondContact O-N 3.39Å; F107-M111 VanDerWaalsContact O-CB 3.31Å; F107-M111 WeakPolarHBondContact O-CB 3.47Å; F107-M111 WeakPolarHBondContact O-CG 3.06Å; F107-M111 PolarHBondContact O-N 2.65Å; F107-V126 HydrophobicContact CD1-CG1 3.97Å; F107-Y130 HydrophobicContact CB-CD2 4.15Å; F107-Y130 HydrophobicContact CD1-CD2 4.04Å; F107-Y130 HydrophobicContact CD1-CG 4.36Å; F107-Y130 AromaticContact CD2-CD2 3.44Å; F107-Y130 HydrophobicContact CD2-CD2 3.44Å; F107-Y130 VanDerWaalsContact CD2-CD2 3.44Å; F107-Y130 AromaticContact CD2-CE2 3.98Å; F107-Y130 HydrophobicContact CD2-CE2 3.98Å; F107-Y130 HydrophobicContact CD2-CG 4.46Å; F107-Y130 HydrophobicContact CE1-CD2 4.31Å; F107-Y130 AromaticContact CE2-CD2 3.74Å; F107-Y130 HydrophobicContact CE2-CD2 3.74Å; F107-Y130 HydrophobicContact CE2-CE2 4.35Å; F107-Y130 AromaticContact CG-CD2 3.61Å; F107-Y130 HydrophobicContact CG-CD2 3.61Å; F107-Y130 HydrophobicContact CG-CE2 4.44Å; F107-Y130 HydrophobicContact CG-CG 4.23Å; F107-Y130 HydrophobicContact CZ-CD2 4.17Å; F107-L145 HydrophobicContact CB-CD1 4.17Å |
| 108 | T | 98.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 40 Ų | 40 | 20% | 0.202 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 178.5 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | L104 T105 C106 D112 S144 | L104-T108 WeakPolarHBondContact O-CB 3.21Å; L104-T108 PolarHBondContact O-N 3.19Å; L104-T108 PolarHBondContact O-OG1 2.97Å; T105-T108 PolarHBondContact O-N 3.45Å; C106-T108 VanDerWaalsContact C-N 3.34Å; C106-T108 PolarHBondContact O-N 3.25Å; T108-D112 VanDerWaalsContact O-CB 3.29Å; T108-D112 WeakPolarHBondContact O-CB 3.13Å; T108-D112 PolarHBondContact O-N 3.35Å; T108-S144 PolarHBondContact OG1-OG 3.36Å |
| 109 | V | 98.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 34.1 Ų | 34.1 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 179.8 | 172.5 | 0 | 0 | 0 | 0 | 111 | M76 H80 T105 C106 D112 L113 | M76-V109 HydrophobicContact CB-CB 4.3Å; M76-V109 HydrophobicContact CB-CG1 4.05Å; M76-V109 WeakPolarHBondContact O-CG1 3.43Å; H80-V109 HydrophobicContact CB-CG1 3.7Å; H80-V109 PolarHBondContact CD2-O 2.75Å; T105-V109 HydrophobicContact CG2-CG2 4.16Å; T105-V109 WeakPolarHBondContact O-CB 3.34Å; T105-V109 VanDerWaalsContact O-CG2 3.23Å; T105-V109 WeakPolarHBondContact O-CG2 3.24Å; T105-V109 PolarHBondContact O-N 3.33Å; C106-V109 PolarHBondContact O-N 3.32Å; V109-D112 PolarHBondContact O-N 2.68Å; V109-L113 PolarHBondContact O-N 3.49Å |
| 110 | C | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -50.5 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | M76 I92 C106 F107 D112 L113 L114 | M76-C110 HydrophobicContact SD-CB 4.09Å; I92-C110 HydrophobicContact CD1-CB 3.79Å; C106-C110 VanDerWaalsContact O-CB 3.25Å; C106-C110 WeakPolarHBondContact O-CB 3.49Å; C106-C110 PolarHBondContact O-N 3.04Å; F107-C110 PolarHBondContact O-N 3.39Å; C110-D112 VanDerWaalsContact C-N 3.32Å; C110-D112 PolarHBondContact O-N 3.48Å; C110-L113 WeakPolarHBondContact O-CB 3.03Å; C110-L113 PolarHBondContact O-N 3.37Å; C110-L114 VanDerWaalsContact O-CG 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.39Å; C110-L114 PolarHBondContact O-N 2.93Å |
| 111 | M | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -34.5 | 178.4 | -71.7 | 173.9 | 68.7 | 0 | 0 | 112.3 | F107 F115 V123 V126 W127 L145 L148 V149 | F107-M111 VanDerWaalsContact O-CB 3.31Å; F107-M111 WeakPolarHBondContact O-CB 3.47Å; F107-M111 WeakPolarHBondContact O-CG 3.06Å; F107-M111 PolarHBondContact O-N 2.65Å; M111-F115 WeakPolarHBondContact O-CB 3.14Å; M111-F115 PolarHBondContact O-N 3.04Å; M111-V123 HydrophobicContact CB-CG1 4.17Å; M111-V123 HydrophobicContact CE-CG1 3.4Å; M111-V123 VanDerWaalsContact CE-CG1 3.4Å; M111-V123 HydrophobicContact CG-CG1 4.12Å; M111-V126 HydrophobicContact CG-CB 3.91Å; M111-V126 HydrophobicContact CG-CG1 3.6Å; M111-V126 HydrophobicContact SD-CG1 4.11Å; M111-W127 HydrophobicContact CE-CB 3.96Å; M111-W127 HydrophobicContact SD-CB 4.45Å; M111-L145 HydrophobicContact CE-CB 4.44Å; M111-L145 HydrophobicContact CE-CD2 4.33Å; M111-L145 HydrophobicContact SD-CD1 4.29Å; M111-L145 HydrophobicContact SD-CD2 3.62Å; M111-L145 HydrophobicContact SD-CG 4.34Å; M111-L148 HydrophobicContact CB-CB 4.35Å; M111-L148 HydrophobicContact CB-CD1 3.74Å; M111-L148 HydrophobicContact CE-CB 4.06Å; M111-V149 HydrophobicContact CE-CB 4.01Å |
| 112 | D | 98.1 | Very high | 97.6 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 173.7 | -179.3 | 77.8 | 0 | 0 | 0 | 112.2 | H80 T108 V109 C110 F115 K116 L148 | H80-D112 IonicContact CD2-OD2 2.64Å; H80-D112 IonicContact CE1-OD2 3.11Å; H80-D112 IonicContact NE2-OD2 2.75Å; H80-D112 PolarHBondContact NE2-OD2 3.3Å; T108-D112 VanDerWaalsContact O-CB 3.29Å; T108-D112 WeakPolarHBondContact O-CB 3.13Å; T108-D112 PolarHBondContact O-N 3.35Å; V109-D112 PolarHBondContact O-N 2.68Å; C110-D112 VanDerWaalsContact C-N 3.32Å; C110-D112 PolarHBondContact O-N 3.48Å; D112-F115 PolarHBondContact O-N 3.45Å; D112-K116 WeakPolarHBondContact O-CB 3.48Å; D112-K116 WeakPolarHBondContact O-CG 3.44Å; D112-K116 PolarHBondContact O-N 3.47Å; D112-K116 IonicContact OD1-NZ 3.91Å; D112-K116 VanDerWaalsContact OD2-CE 3.27Å; D112-K116 WeakPolarHBondContact OD2-CE 3.34Å; D112-K116 IonicContact OD2-NZ 3.79Å; D112-K116 PolarHBondContact OD2-NZ 2.94Å; D112-L148 HydrophobicContact CB-CD1 4.39Å; D112-L148 HydrophobicContact CB-CD2 4.47Å |
| 113 | L | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57 | -54.8 | 173.2 | 168 | 61.2 | 0 | 0 | 0 | 110.5 | H80 A88 V109 C110 F115 K116 E117 | H80-L113 HydrophobicContact CB-CB 4.47Å; A88-L113 HydrophobicContact CB-CD2 3.77Å; V109-L113 PolarHBondContact O-N 3.49Å; C110-L113 WeakPolarHBondContact O-CB 3.03Å; C110-L113 PolarHBondContact O-N 3.37Å; L113-F115 VanDerWaalsContact C-N 3.31Å; L113-F115 PolarHBondContact O-N 2.87Å; L113-K116 PolarHBondContact O-N 2.89Å; L113-E117 HydrophobicContact CD1-CG 4.01Å; L113-E117 PolarHBondContact O-N 2.64Å; L113-E117 VanDerWaalsContact O-N 3.09Å |
| 114 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | -177.6 | -67 | 170.7 | 0 | 0 | 0 | 111.6 | C85 C110 E117 G118 C119 D122 V123 V126 | C85-L114 HydrophobicContact CB-CD2 3.84Å; C110-L114 VanDerWaalsContact O-CG 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.39Å; C110-L114 PolarHBondContact O-N 2.93Å; L114-E117 PolarHBondContact O-N 2.95Å; L114-G118 PolarHBondContact O-N 2.74Å; L114-C119 HydrophobicContact CB-CB 4.11Å; L114-C119 HydrophobicContact CD2-CB 3.93Å; L114-C119 WeakPolarHBondContact O-CB 3.34Å; L114-C119 PolarHBondContact O-N 3.24Å; L114-D122 HydrophobicContact CD1-CB 3.88Å; L114-D122 HydrophobicContact CD2-CB 4Å; L114-D122 HydrophobicContact CG-CB 4.4Å; L114-V123 HydrophobicContact CB-CG2 3.61Å; L114-V126 HydrophobicContact CD1-CG2 3.73Å |
| 115 | F | 97.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 35.1 Ų | 35.1 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.1 | -171.2 | -85.3 | 0 | 0 | 0 | 112.1 | M111 D112 L113 E117 G118 F120 V123 L148 | M111-F115 WeakPolarHBondContact O-CB 3.14Å; M111-F115 PolarHBondContact O-N 3.04Å; D112-F115 PolarHBondContact O-N 3.45Å; L113-F115 VanDerWaalsContact C-N 3.31Å; L113-F115 PolarHBondContact O-N 2.87Å; F115-E117 VanDerWaalsContact C-N 3.34Å; F115-E117 PolarHBondContact O-N 2.95Å; F115-G118 PolarHBondContact O-N 3.11Å; F115-F120 AromaticContact CD2-CD1 3.94Å; F115-F120 HydrophobicContact CD2-CD1 3.94Å; F115-F120 AromaticContact CD2-CE1 3.93Å; F115-F120 HydrophobicContact CD2-CE1 3.93Å; F115-F120 HydrophobicContact CE2-CD1 4.04Å; F115-F120 AromaticContact CE2-CE1 3.85Å; F115-F120 HydrophobicContact CE2-CE1 3.85Å; F115-F120 HydrophobicContact CG-CE1 4.32Å; F115-F120 HydrophobicContact CZ-CE1 4.19Å; F115-V123 HydrophobicContact CB-CG2 4.14Å; F115-L148 HydrophobicContact CB-CD2 3.94Å; F115-L148 HydrophobicContact CD2-CD2 4.42Å; F115-L148 HydrophobicContact CG-CD2 4.07Å |
| 116 | K | 95.9 | Very high | 98 | Very high | 127 Ų | 127 | 31.9 Ų | 31.9 | 55% | 0.552 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -64.7 | -36.3 | 179.2 | -80.1 | 172.8 | 174.9 | 163.5 | 0 | 113.3 | D112 L113 G118 | D112-K116 WeakPolarHBondContact O-CB 3.48Å; D112-K116 WeakPolarHBondContact O-CG 3.44Å; D112-K116 PolarHBondContact O-N 3.47Å; D112-K116 IonicContact OD1-NZ 3.91Å; D112-K116 VanDerWaalsContact OD2-CE 3.27Å; D112-K116 WeakPolarHBondContact OD2-CE 3.34Å; D112-K116 IonicContact OD2-NZ 3.79Å; D112-K116 PolarHBondContact OD2-NZ 2.94Å; L113-K116 PolarHBondContact O-N 2.89Å; K116-G118 VanDerWaalsContact C-N 3.27Å |
| 117 | E | 97.1 | Very high | 98 | Very high | 85 Ų | 85 | 32.2 Ų | 32.2 | 40% | 0.397 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 6.5 | 178.9 | -58.5 | -63.2 | 145.6 | 0 | 0 | 112.3 | K83 C85 L113 L114 F115 C119 | K83-E117 WeakPolarHBondContact CD-OE1 3.18Å; K83-E117 WeakPolarHBondContact CE-OE1 3.11Å; K83-E117 IonicContact NZ-OE1 3.33Å; K83-E117 PolarHBondContact NZ-OE1 3.24Å; C85-E117 VanDerWaalsContact SG-CB 3.57Å; C85-E117 VanDerWaalsContact SG-CG 3.59Å; L113-E117 HydrophobicContact CD1-CG 4.01Å; L113-E117 PolarHBondContact O-N 2.64Å; L113-E117 VanDerWaalsContact O-N 3.09Å; L114-E117 PolarHBondContact O-N 2.95Å; F115-E117 VanDerWaalsContact C-N 3.34Å; F115-E117 PolarHBondContact O-N 2.95Å; E117-C119 PolarHBondContact O-N 2.77Å |
| 118 | G | 96.3 | Very high | 97.9 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 38% | 0.381 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 10.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L114 F115 K116 F120 | L114-G118 PolarHBondContact O-N 2.74Å; F115-G118 PolarHBondContact O-N 3.11Å; K116-G118 VanDerWaalsContact C-N 3.27Å; G118-F120 WeakPolarHBondContact O-CD2 3.27Å; G118-F120 PolarHBondContact O-N 3.33Å |
| 119 | C | 97.8 | Very high | 97.8 | Very high | 34 Ų | 34 | 33.8 Ų | 33.8 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | trans | -80.5 | 58.3 | 179.4 | -57 | 0 | 0 | 0 | 0 | 111.7 | L114 E117 S121 D122 V123 | L114-C119 HydrophobicContact CB-CB 4.11Å; L114-C119 HydrophobicContact CD2-CB 3.93Å; L114-C119 WeakPolarHBondContact O-CB 3.34Å; L114-C119 PolarHBondContact O-N 3.24Å; E117-C119 PolarHBondContact O-N 2.77Å; C119-S121 PolarHBondContact O-N 2.99Å; C119-D122 HydrophobicContact CB-CB 4.06Å; C119-D122 WeakPolarHBondContact O-CB 3.27Å; C119-D122 PolarHBondContact O-N 3.08Å; C119-D122 VanDerWaalsContact O-N 3.1Å; C119-V123 PolarHBondContact O-N 3.39Å; C119-V123 VanDerWaalsContact O-N 3.17Å | ||
| 120 | F | 98.1 | Very high | 97.8 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 20% | 0.202 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -34.5 | -171 | -54.7 | -60.6 | 0 | 0 | 0 | 114.4 | F115 G118 D122 V123 I124 K155 L156 | F115-F120 AromaticContact CD2-CD1 3.94Å; F115-F120 HydrophobicContact CD2-CD1 3.94Å; F115-F120 AromaticContact CD2-CE1 3.93Å; F115-F120 HydrophobicContact CD2-CE1 3.93Å; F115-F120 HydrophobicContact CE2-CD1 4.04Å; F115-F120 AromaticContact CE2-CE1 3.85Å; F115-F120 HydrophobicContact CE2-CE1 3.85Å; F115-F120 HydrophobicContact CG-CE1 4.32Å; F115-F120 HydrophobicContact CZ-CE1 4.19Å; G118-F120 WeakPolarHBondContact O-CD2 3.27Å; G118-F120 PolarHBondContact O-N 3.33Å; F120-D122 VanDerWaalsContact C-N 3.28Å; F120-D122 PolarHBondContact O-N 2.87Å; F120-V123 WeakPolarHBondContact O-CB 2.98Å; F120-V123 PolarHBondContact O-N 3.15Å; F120-I124 PolarHBondContact O-N 3.35Å; F120-K155 HydrophobicContact CD1-CB 4.04Å; F120-K155 HydrophobicContact CD1-CG 4.31Å; F120-K155 HydrophobicContact CD2-CB 3.77Å; F120-K155 HydrophobicContact CE1-CB 4.03Å; F120-K155 HydrophobicContact CE1-CG 3.86Å; F120-K155 HydrophobicContact CE2-CB 3.75Å; F120-K155 HydrophobicContact CE2-CG 4.11Å; F120-K155 HydrophobicContact CG-CB 3.92Å; F120-K155 HydrophobicContact CZ-CB 3.88Å; F120-K155 HydrophobicContact CZ-CD 4.29Å; F120-K155 HydrophobicContact CZ-CG 3.75Å; F120-L156 HydrophobicContact CB-CD1 4.13Å; F120-L156 HydrophobicContact CB-CD2 4.16Å; F120-L156 HydrophobicContact CB-CG 3.85Å |
| 121 | S | 97.8 | Very high | 97.7 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 43% | 0.434 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 173.1 | 51.9 | 0 | 0 | 0 | 0 | 111.2 | C119 V123 I124 D125 | C119-S121 PolarHBondContact O-N 2.99Å; S121-V123 VanDerWaalsContact C-N 3.31Å; S121-V123 PolarHBondContact O-N 2.92Å; S121-I124 WeakPolarHBondContact O-CA 3.24Å; S121-I124 WeakPolarHBondContact O-CB 3.31Å; S121-I124 PolarHBondContact O-N 3.39Å; S121-D125 PolarHBondContact O-N 3.44Å |
| 122 | D | 98.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 43.6 Ų | 43.6 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70 | -31.8 | -177.9 | -59.4 | -17.5 | 0 | 0 | 0 | 111.4 | K89 L114 C119 F120 I124 D125 V126 | K89-D122 HydrophobicContact CD-CB 3.93Å; K89-D122 VanDerWaalsContact NZ-CG 3.34Å; K89-D122 IonicContact NZ-OD1 3.8Å; K89-D122 PolarHBondContact NZ-OD1 2.93Å; L114-D122 HydrophobicContact CD1-CB 3.88Å; L114-D122 HydrophobicContact CD2-CB 4Å; L114-D122 HydrophobicContact CG-CB 4.4Å; C119-D122 HydrophobicContact CB-CB 4.06Å; C119-D122 WeakPolarHBondContact O-CB 3.27Å; C119-D122 PolarHBondContact O-N 3.08Å; C119-D122 VanDerWaalsContact O-N 3.1Å; F120-D122 VanDerWaalsContact C-N 3.28Å; F120-D122 PolarHBondContact O-N 2.87Å; D122-I124 PolarHBondContact O-N 3.15Å; D122-D125 WeakPolarHBondContact O-CB 3.25Å; D122-D125 PolarHBondContact O-N 3.24Å; D122-V126 WeakPolarHBondContact O-CG2 3.39Å; D122-V126 PolarHBondContact O-N 3.05Å |
| 123 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.8 | -38.7 | 170.4 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | M111 L114 F115 C119 F120 S121 W127 S152 | M111-V123 HydrophobicContact CB-CG1 4.17Å; M111-V123 HydrophobicContact CE-CG1 3.4Å; M111-V123 VanDerWaalsContact CE-CG1 3.4Å; M111-V123 HydrophobicContact CG-CG1 4.12Å; L114-V123 HydrophobicContact CB-CG2 3.61Å; F115-V123 HydrophobicContact CB-CG2 4.14Å; C119-V123 PolarHBondContact O-N 3.39Å; C119-V123 VanDerWaalsContact O-N 3.17Å; F120-V123 WeakPolarHBondContact O-CB 2.98Å; F120-V123 PolarHBondContact O-N 3.15Å; S121-V123 VanDerWaalsContact C-N 3.31Å; S121-V123 PolarHBondContact O-N 2.92Å; V123-W127 WeakPolarHBondContact O-CB 3.46Å; V123-W127 PolarHBondContact O-N 3.49Å; V123-S152 VanDerWaalsContact CB-OG 3.28Å; V123-S152 WeakPolarHBondContact CB-OG 3.43Å; V123-S152 VanDerWaalsContact CG1-OG 3.24Å; V123-S152 WeakPolarHBondContact CG1-OG 3.48Å |
| 124 | I | 98 | Very high | 97.2 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.7 | -40 | 177.7 | -62.2 | 168.8 | 0 | 0 | 0 | 110.8 | F120 S121 D122 V126 W127 N128 F153 L156 | F120-I124 PolarHBondContact O-N 3.35Å; S121-I124 WeakPolarHBondContact O-CA 3.24Å; S121-I124 WeakPolarHBondContact O-CB 3.31Å; S121-I124 PolarHBondContact O-N 3.39Å; D122-I124 PolarHBondContact O-N 3.15Å; I124-V126 VanDerWaalsContact C-N 3.35Å; I124-V126 PolarHBondContact O-N 3.39Å; I124-W127 WeakPolarHBondContact O-CB 3.47Å; I124-W127 PolarHBondContact O-N 3.09Å; I124-N128 PolarHBondContact O-N 2.85Å; I124-N128 PolarHBondContact O-ND2 3.43Å; I124-F153 HydrophobicContact CD1-CD1 3.54Å; I124-F153 HydrophobicContact CD1-CE1 3.5Å; I124-F153 VanDerWaalsContact CD1-CE1 3.5Å; I124-F153 HydrophobicContact CG1-CD1 4.01Å; I124-F153 HydrophobicContact CG1-CE1 3.64Å; I124-F153 HydrophobicContact CG1-CZ 4.46Å; I124-F153 HydrophobicContact CG2-CE1 4.11Å; I124-L156 HydrophobicContact CD1-CD1 3.28Å; I124-L156 HydrophobicContact CG1-CD1 4.48Å |
| 125 | D | 97.9 | Very high | 97 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 34% | 0.337 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 174.6 | -68.5 | -19.7 | 0 | 0 | 0 | 111.2 | K89 S121 D122 W127 N128 A129 | K89-D125 WeakPolarHBondContact CE-OD2 3.23Å; K89-D125 IonicContact NZ-OD2 2.8Å; K89-D125 PolarHBondContact NZ-OD2 3.43Å; S121-D125 PolarHBondContact O-N 3.44Å; D122-D125 WeakPolarHBondContact O-CB 3.25Å; D122-D125 PolarHBondContact O-N 3.24Å; D125-W127 VanDerWaalsContact C-N 3.34Å; D125-W127 PolarHBondContact O-N 2.76Å; D125-N128 WeakPolarHBondContact O-CB 3.32Å; D125-N128 PolarHBondContact O-N 3.03Å; D125-N128 VanDerWaalsContact O-N 3.15Å; D125-A129 PolarHBondContact O-N 3.25Å |
| 126 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 178 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | I92 M93 F107 M111 L114 D122 I124 N128 A129 Y130 | I92-V126 HydrophobicContact CD1-CG1 4.19Å; I92-V126 HydrophobicContact CG2-CG1 4.39Å; I92-V126 HydrophobicContact CG2-CG2 4Å; M93-V126 HydrophobicContact SD-CG2 4.32Å; F107-V126 HydrophobicContact CD1-CG1 3.97Å; M111-V126 HydrophobicContact CG-CB 3.91Å; M111-V126 HydrophobicContact CG-CG1 3.6Å; M111-V126 HydrophobicContact SD-CG1 4.11Å; L114-V126 HydrophobicContact CD1-CG2 3.73Å; D122-V126 WeakPolarHBondContact O-CG2 3.39Å; D122-V126 PolarHBondContact O-N 3.05Å; I124-V126 VanDerWaalsContact C-N 3.35Å; I124-V126 PolarHBondContact O-N 3.39Å; V126-N128 VanDerWaalsContact C-N 3.32Å; V126-N128 PolarHBondContact O-N 3.35Å; V126-A129 PolarHBondContact O-N 3.37Å; V126-Y130 WeakPolarHBondContact O-CB 3.37Å; V126-Y130 PolarHBondContact O-N 3.01Å |
| 127 | W | 98.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 170.9 | 169.1 | -112.1 | 0 | 0 | 0 | 112 | M111 V123 I124 D125 A129 Y130 K131 Y136 Y141 L145 V149 L168 | M111-W127 HydrophobicContact CE-CB 3.96Å; M111-W127 HydrophobicContact SD-CB 4.45Å; V123-W127 WeakPolarHBondContact O-CB 3.46Å; V123-W127 PolarHBondContact O-N 3.49Å; I124-W127 WeakPolarHBondContact O-CB 3.47Å; I124-W127 PolarHBondContact O-N 3.09Å; D125-W127 VanDerWaalsContact C-N 3.34Å; D125-W127 PolarHBondContact O-N 2.76Å; W127-A129 VanDerWaalsContact C-N 3.35Å; W127-Y130 AromaticContact CE3-CD1 3.86Å; W127-Y130 HydrophobicContact CE3-CD1 3.86Å; W127-Y130 HydrophobicContact CH2-CD1 4.36Å; W127-Y130 AromaticContact CZ3-CD1 3.54Å; W127-Y130 HydrophobicContact CZ3-CD1 3.54Å; W127-Y130 AromaticContact CZ3-CE1 3.94Å; W127-Y130 HydrophobicContact CZ3-CE1 3.94Å; W127-Y130 WeakPolarHBondContact O-CB 3.46Å; W127-Y130 PolarHBondContact O-N 3.08Å; W127-K131 HydrophobicContact CD2-CG 4.36Å; W127-K131 HydrophobicContact CH2-CG 4.44Å; W127-K131 HydrophobicContact CZ2-CD 3.97Å; W127-K131 HydrophobicContact CZ2-CG 3.89Å; W127-K131 PolarHBondContact O-N 3.05Å; W127-Y136 HydrophobicContact CH2-CE2 4.35Å; W127-Y141 AromaticContact CH2-CD1 3.64Å; W127-Y141 HydrophobicContact CH2-CD1 3.64Å; W127-Y141 AromaticContact CH2-CE1 3.99Å; W127-Y141 HydrophobicContact CH2-CE1 3.99Å; W127-Y141 AromaticContact CZ2-CD1 3.86Å; W127-Y141 HydrophobicContact CZ2-CD1 3.86Å; W127-Y141 AromaticContact CZ2-CE1 3.77Å; W127-Y141 HydrophobicContact CZ2-CE1 3.77Å; W127-L145 HydrophobicContact CE3-CB 4.12Å; W127-L145 HydrophobicContact CE3-CD1 4.34Å; W127-L145 HydrophobicContact CZ3-CB 3.92Å; W127-L145 HydrophobicContact CZ3-CD1 4.24Å; W127-V149 HydrophobicContact CB-CB 4.45Å; W127-V149 HydrophobicContact CB-CG2 3.8Å; W127-V149 HydrophobicContact CD2-CB 4.38Å; W127-V149 HydrophobicContact CD2-CG1 4.38Å; W127-V149 HydrophobicContact CD2-CG2 4.14Å; W127-V149 HydrophobicContact CG-CB 4.25Å; W127-V149 HydrophobicContact CG-CG2 3.58Å; W127-L168 HydrophobicContact CH2-CD1 3.98Å; W127-L168 HydrophobicContact CZ2-CD1 3.43Å; W127-L168 VanDerWaalsContact CZ2-CD1 3.43Å |
| 128 | N | 97.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 31% | 0.305 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.4 | -34.6 | 177.5 | -73.2 | -37.8 | 0 | 0 | 0 | 112.5 | I124 D125 V126 K131 K132 | I124-N128 PolarHBondContact O-N 2.85Å; I124-N128 PolarHBondContact O-ND2 3.43Å; D125-N128 WeakPolarHBondContact O-CB 3.32Å; D125-N128 PolarHBondContact O-N 3.03Å; D125-N128 VanDerWaalsContact O-N 3.15Å; V126-N128 VanDerWaalsContact C-N 3.32Å; V126-N128 PolarHBondContact O-N 3.35Å; N128-K131 WeakPolarHBondContact OD1-CE 3.44Å; N128-K131 PolarHBondContact OD1-NZ 3.4Å; N128-K131 VanDerWaalsContact OD1-NZ 3.17Å; N128-K132 WeakPolarHBondContact O-CG 3.35Å; N128-K132 PolarHBondContact O-N 3.35Å |
| 129 | A | 96.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | M93 D125 V126 W127 K131 K132 S133 | M93-A129 HydrophobicContact CE-CB 3.76Å; M93-A129 HydrophobicContact SD-CB 3.32Å; M93-A129 WeakPolarHBondContact SD-CB 3.47Å; D125-A129 PolarHBondContact O-N 3.25Å; V126-A129 PolarHBondContact O-N 3.37Å; W127-A129 VanDerWaalsContact C-N 3.35Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.2Å; A129-K132 PolarHBondContact O-N 3.26Å; A129-S133 PolarHBondContact O-N 3.44Å |
| 130 | Y | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.1 | 178.5 | -111.7 | 0 | 0 | 0 | 111.5 | L104 F107 V126 W127 K132 S133 Y136 I139 P142 L145 | L104-Y130 HydrophobicContact CD1-CE2 4.24Å; F107-Y130 HydrophobicContact CB-CD2 4.15Å; F107-Y130 HydrophobicContact CD1-CD2 4.04Å; F107-Y130 HydrophobicContact CD1-CG 4.36Å; F107-Y130 AromaticContact CD2-CD2 3.44Å; F107-Y130 HydrophobicContact CD2-CD2 3.44Å; F107-Y130 VanDerWaalsContact CD2-CD2 3.44Å; F107-Y130 AromaticContact CD2-CE2 3.98Å; F107-Y130 HydrophobicContact CD2-CE2 3.98Å; F107-Y130 HydrophobicContact CD2-CG 4.46Å; F107-Y130 HydrophobicContact CE1-CD2 4.31Å; F107-Y130 AromaticContact CE2-CD2 3.74Å; F107-Y130 HydrophobicContact CE2-CD2 3.74Å; F107-Y130 HydrophobicContact CE2-CE2 4.35Å; F107-Y130 AromaticContact CG-CD2 3.61Å; F107-Y130 HydrophobicContact CG-CD2 3.61Å; F107-Y130 HydrophobicContact CG-CE2 4.44Å; F107-Y130 HydrophobicContact CG-CG 4.23Å; F107-Y130 HydrophobicContact CZ-CD2 4.17Å; V126-Y130 WeakPolarHBondContact O-CB 3.37Å; V126-Y130 PolarHBondContact O-N 3.01Å; W127-Y130 AromaticContact CE3-CD1 3.86Å; W127-Y130 HydrophobicContact CE3-CD1 3.86Å; W127-Y130 HydrophobicContact CH2-CD1 4.36Å; W127-Y130 AromaticContact CZ3-CD1 3.54Å; W127-Y130 HydrophobicContact CZ3-CD1 3.54Å; W127-Y130 AromaticContact CZ3-CE1 3.94Å; W127-Y130 HydrophobicContact CZ3-CE1 3.94Å; W127-Y130 WeakPolarHBondContact O-CB 3.46Å; W127-Y130 PolarHBondContact O-N 3.08Å; Y130-K132 PolarHBondContact O-N 2.85Å; Y130-S133 VanDerWaalsContact O-CB 3.29Å; Y130-S133 WeakPolarHBondContact O-CB 3.32Å; Y130-S133 PolarHBondContact O-N 3.11Å; Y130-S133 PolarHBondContact O-OG 2.83Å; Y130-Y136 AromaticContact CD1-CD2 3.92Å; Y130-Y136 HydrophobicContact CD1-CD2 3.92Å; Y130-Y136 AromaticContact CE1-CD2 3.65Å; Y130-Y136 HydrophobicContact CE1-CD2 3.65Å; Y130-Y136 HydrophobicContact CE1-CG 4.4Å; Y130-Y136 WeakPolarHBondContact O-CB 3.28Å; Y130-I139 PolarHBondContact OH-O 3.2Å; Y130-P142 HydrophobicContact CE1-CG 3.88Å; Y130-P142 WeakPolarHBondContact OH-CG 3.43Å; Y130-L145 HydrophobicContact CD1-CD1 3.51Å; Y130-L145 HydrophobicContact CD2-CD1 4.09Å; Y130-L145 HydrophobicContact CE1-CD1 3.57Å; Y130-L145 HydrophobicContact CE2-CD1 4.16Å; Y130-L145 HydrophobicContact CG-CD1 3.75Å |
| 131 | K | 96.5 | Very high | 96.3 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55 | -25.5 | 175.5 | -73.9 | -167.3 | -66.1 | 179.3 | 0 | 113.9 | W127 N128 A129 Y136 E167 | W127-K131 HydrophobicContact CD2-CG 4.36Å; W127-K131 HydrophobicContact CH2-CG 4.44Å; W127-K131 HydrophobicContact CZ2-CD 3.97Å; W127-K131 HydrophobicContact CZ2-CG 3.89Å; W127-K131 PolarHBondContact O-N 3.05Å; N128-K131 WeakPolarHBondContact OD1-CE 3.44Å; N128-K131 PolarHBondContact OD1-NZ 3.4Å; N128-K131 VanDerWaalsContact OD1-NZ 3.17Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.2Å; K131-Y136 HydrophobicContact CG-CD2 4.37Å; K131-Y136 HydrophobicContact CG-CE2 4.11Å; K131-Y136 WeakPolarHBondContact O-CD1 3.34Å; K131-E167 IonicContact NZ-OE1 2.68Å |
| 132 | K | 95 | Very high | 96.2 | Very high | 170 Ų | 170 | 46.4 Ų | 46.4 | 74% | 0.739 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -93.5 | -7.9 | 178.2 | -63.1 | 171.8 | -177.1 | 177.8 | 0 | 113.7 | N128 A129 Y130 | N128-K132 WeakPolarHBondContact O-CG 3.35Å; N128-K132 PolarHBondContact O-N 3.35Å; A129-K132 PolarHBondContact O-N 3.26Å; Y130-K132 PolarHBondContact O-N 2.85Å |
| 133 | S | 95.3 | Very high | 96 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -81 | 162.3 | -176.1 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | D102 A129 Y130 S135 Y136 | D102-S133 WeakPolarHBondContact OD1-CB 3.31Å; A129-S133 PolarHBondContact O-N 3.44Å; Y130-S133 VanDerWaalsContact O-CB 3.29Å; Y130-S133 WeakPolarHBondContact O-CB 3.32Å; Y130-S133 PolarHBondContact O-N 3.11Å; Y130-S133 PolarHBondContact O-OG 2.83Å; S133-S135 VanDerWaalsContact C-N 3.27Å; S133-S135 PolarHBondContact O-N 2.65Å; S133-S135 PolarHBondContact OG-N 3.24Å; S133-Y136 PolarHBondContact O-N 3.49Å; S133-Y136 PolarHBondContact OG-N 3.02Å |
| 134 | E | 94.2 | Very high | 95.9 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.9 | -28.5 | 172.5 | -59.8 | -60.7 | 133 | 0 | 0 | 111.2 | D102 Y136 K137 N138 | D102-E134 VanDerWaalsContact OD2-CB 3.24Å; D102-E134 WeakPolarHBondContact OD2-CB 3.45Å; D102-E134 PolarHBondContact OD2-N 2.93Å; E134-Y136 PolarHBondContact O-N 3.32Å; E134-K137 PolarHBondContact O-N 2.9Å; E134-K137 IonicContact OE1-NZ 2.8Å; E134-K137 PolarHBondContact OE1-NZ 2.91Å; E134-K137 WeakPolarHBondContact OE2-CD 3.45Å; E134-K137 WeakPolarHBondContact OE2-CE 3.44Å; E134-K137 IonicContact OE2-NZ 2.7Å; E134-K137 PolarHBondContact OE2-NZ 3.42Å; E134-N138 PolarHBondContact O-N 3.47Å; E134-N138 PolarHBondContact O-ND2 3.35Å |
| 135 | S | 94 | Very high | 95.9 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -33.3 | 174.5 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | D102 Y103 S133 N138 I139 | D102-S135 VanDerWaalsContact C-OG 3.25Å; D102-S135 PolarHBondContact O-OG 2.81Å; D102-S135 VanDerWaalsContact O-OG 3.09Å; D102-S135 WeakPolarHBondContact OD1-CB 3.35Å; D102-S135 PolarHBondContact OD1-N 3.41Å; D102-S135 PolarHBondContact OD1-OG 2.69Å; Y103-S135 PolarHBondContact N-OG 2.92Å; S133-S135 VanDerWaalsContact C-N 3.27Å; S133-S135 PolarHBondContact O-N 2.65Å; S133-S135 PolarHBondContact OG-N 3.24Å; S135-N138 PolarHBondContact O-N 2.74Å; S135-I139 PolarHBondContact O-N 2.87Å |
| 136 | Y | 95.9 | Very high | 95.8 | Very high | 34 Ų | 34 | 52 Ų | 52 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.5 | -35.1 | 178.3 | 176.9 | -96.8 | 0 | 0 | 0 | 112.8 | W127 Y130 K131 S133 E134 N138 I139 P140 Y141 Q175 | W127-Y136 HydrophobicContact CH2-CE2 4.35Å; Y130-Y136 AromaticContact CD1-CD2 3.92Å; Y130-Y136 HydrophobicContact CD1-CD2 3.92Å; Y130-Y136 AromaticContact CE1-CD2 3.65Å; Y130-Y136 HydrophobicContact CE1-CD2 3.65Å; Y130-Y136 HydrophobicContact CE1-CG 4.4Å; Y130-Y136 WeakPolarHBondContact O-CB 3.28Å; K131-Y136 HydrophobicContact CG-CD2 4.37Å; K131-Y136 HydrophobicContact CG-CE2 4.11Å; K131-Y136 WeakPolarHBondContact O-CD1 3.34Å; S133-Y136 PolarHBondContact O-N 3.49Å; S133-Y136 PolarHBondContact OG-N 3.02Å; E134-Y136 PolarHBondContact O-N 3.32Å; Y136-N138 PolarHBondContact O-N 2.96Å; Y136-I139 CarbonylContact O-C 3.42Å; Y136-I139 PolarHBondContact O-N 3.34Å; Y136-P140 HydrophobicContact CE2-CB 4.31Å; Y136-P140 WeakPolarHBondContact O-CA 3.09Å; Y136-Y141 HydrophobicContact CE2-CE2 4.41Å; Y136-Y141 WeakPolarHBondContact OH-CE2 3.22Å; Y136-Y141 VanDerWaalsContact OH-CZ 3.23Å; Y136-Y141 PolarHBondContact OH-OH 3.15Å; Y136-Y141 VanDerWaalsContact OH-OH 3.07Å; Y136-Q175 PolarHBondContact OH-NE2 3.33Å |
| 137 | K | 93.5 | Very high | 95.7 | Very high | 138 Ų | 138 | 53.9 Ų | 53.9 | 60% | 0.6 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.2 | -35.5 | 175.3 | -61.1 | -179.9 | -170.8 | 163.8 | 0 | 112 | E134 | E134-K137 PolarHBondContact O-N 2.9Å; E134-K137 IonicContact OE1-NZ 2.8Å; E134-K137 PolarHBondContact OE1-NZ 2.91Å; E134-K137 WeakPolarHBondContact OE2-CD 3.45Å; E134-K137 WeakPolarHBondContact OE2-CE 3.44Å; E134-K137 IonicContact OE2-NZ 2.7Å; E134-K137 PolarHBondContact OE2-NZ 3.42Å |
| 138 | N | 93.5 | Very high | 95.7 | Very high | 132 Ų | 132 | 54.4 Ų | 54.4 | 71% | 0.706 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -84.1 | -36.8 | -178.9 | -65.6 | -54.2 | 0 | 0 | 0 | 112.8 | E134 S135 Y136 | E134-N138 PolarHBondContact O-N 3.47Å; E134-N138 PolarHBondContact O-ND2 3.35Å; S135-N138 PolarHBondContact O-N 2.74Å; Y136-N138 PolarHBondContact O-N 2.96Å |
| 139 | I | 94.9 | Very high | 95.8 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 43% | 0.426 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -135 | 77.6 | -175.5 | -49.4 | 175.5 | 0 | 0 | 0 | 108.4 | L104 Y130 S135 Y136 P142 | L104-I139 HydrophobicContact CD2-CD1 4.01Å; L104-I139 HydrophobicContact CD2-CG2 4.23Å; Y130-I139 PolarHBondContact OH-O 3.2Å; S135-I139 PolarHBondContact O-N 2.87Å; Y136-I139 CarbonylContact O-C 3.42Å; Y136-I139 PolarHBondContact O-N 3.34Å; I139-P142 HydrophobicContact CG2-CB 4.05Å |
| 140 | P | 95.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 21% | 0.214 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -67.6 | 146 | 176.9 | 27.6 | -34 | 0 | 0 | 0 | 111 | Y136 V177 | Y136-P140 HydrophobicContact CE2-CB 4.31Å; Y136-P140 WeakPolarHBondContact O-CA 3.09Å; P140-V177 HydrophobicContact CB-CG2 4.39Å; P140-V177 HydrophobicContact CG-CG2 3.98Å |
| 141 | Y | 95.5 | Very high | 95.8 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 42.3 | 57.3 | 176.6 | -53.2 | -80.5 | 0 | 0 | 0 | 114.9 | W127 Y136 Q146 L168 G171 C172 Q175 V177 | W127-Y141 AromaticContact CH2-CD1 3.64Å; W127-Y141 HydrophobicContact CH2-CD1 3.64Å; W127-Y141 AromaticContact CH2-CE1 3.99Å; W127-Y141 HydrophobicContact CH2-CE1 3.99Å; W127-Y141 AromaticContact CZ2-CD1 3.86Å; W127-Y141 HydrophobicContact CZ2-CD1 3.86Å; W127-Y141 AromaticContact CZ2-CE1 3.77Å; W127-Y141 HydrophobicContact CZ2-CE1 3.77Å; Y136-Y141 HydrophobicContact CE2-CE2 4.41Å; Y136-Y141 WeakPolarHBondContact OH-CE2 3.22Å; Y136-Y141 VanDerWaalsContact OH-CZ 3.23Å; Y136-Y141 PolarHBondContact OH-OH 3.15Å; Y136-Y141 VanDerWaalsContact OH-OH 3.07Å; Y141-Q146 PolarHBondContact O-NE2 2.6Å; Y141-L168 HydrophobicContact CD1-CD1 3.74Å; Y141-L168 HydrophobicContact CE1-CD1 3.89Å; Y141-G171 VanDerWaalsContact CE2-O 3.28Å; Y141-G171 WeakPolarHBondContact CE2-O 3.24Å; Y141-G171 WeakPolarHBondContact OH-CA 3.29Å; Y141-C172 VanDerWaalsContact CB-SG 3.55Å; Y141-C172 VanDerWaalsContact CD1-SG 3.5Å; Y141-C172 HydrophobicContact CG-CB 4.49Å; Y141-Q175 HydrophobicContact CE2-CG 4.28Å; Y141-V177 HydrophobicContact CD2-CG2 4.26Å |
| 142 | P | 96.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.065 | 23% | 0.228 | C | C | . | . | trans | -61.3 | 143.5 | 178.7 | 29.5 | -37.8 | 0 | 0 | 0 | 110.8 | L104 Y130 I139 S144 L145 Q146 | L104-P142 HydrophobicContact CD1-CB 3.69Å; L104-P142 HydrophobicContact CD1-CG 3.44Å; L104-P142 VanDerWaalsContact CD1-CG 3.44Å; L104-P142 HydrophobicContact CD2-CB 3.82Å; L104-P142 HydrophobicContact CD2-CG 4.46Å; L104-P142 HydrophobicContact CG-CB 4.42Å; Y130-P142 HydrophobicContact CE1-CG 3.88Å; Y130-P142 WeakPolarHBondContact OH-CG 3.43Å; I139-P142 HydrophobicContact CG2-CB 4.05Å; P142-S144 VanDerWaalsContact C-N 3.26Å; P142-S144 PolarHBondContact O-N 3.34Å; P142-S144 VanDerWaalsContact O-N 3.13Å; P142-L145 HydrophobicContact CG-CB 3.8Å; P142-L145 HydrophobicContact CG-CD1 3.61Å; P142-L145 HydrophobicContact CG-CG 3.56Å; P142-L145 PolarHBondContact O-N 2.72Å; P142-Q146 PolarHBondContact O-N 3.32Å | ||
| 143 | R | 95.1 | Very high | 96.1 | Very high | 186 Ų | 186 | 40 Ų | 40 | 70% | 0.702 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -52.3 | -41.5 | -173.6 | -65.2 | -179.4 | 64.1 | -171.9 | 0 | 113.7 | I147 V180 | R143-I147 VanDerWaalsContact O-CG1 3.31Å; R143-I147 WeakPolarHBondContact O-CG1 3.43Å; R143-I147 PolarHBondContact O-N 3.14Å; R143-V180 HydrophobicContact CB-CG2 3.63Å; R143-V180 HydrophobicContact CG-CG2 3.59Å |
| 144 | S | 95.1 | Very high | 96.2 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 179.2 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | T108 P142 I147 L148 | T108-S144 PolarHBondContact OG1-OG 3.36Å; P142-S144 VanDerWaalsContact C-N 3.26Å; P142-S144 PolarHBondContact O-N 3.34Å; P142-S144 VanDerWaalsContact O-N 3.13Å; S144-I147 PolarHBondContact O-N 2.92Å; S144-L148 WeakPolarHBondContact O-CG 3.4Å; S144-L148 PolarHBondContact O-N 2.91Å; S144-L148 VanDerWaalsContact O-N 3.11Å |
| 145 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.5 | -34.3 | -177.5 | -53.2 | -170.7 | 0 | 0 | 0 | 111.9 | L104 F107 M111 W127 Y130 P142 I147 L148 V149 | L104-L145 HydrophobicContact CD1-CD1 3.9Å; L104-L145 HydrophobicContact CD1-CG 4.11Å; F107-L145 HydrophobicContact CB-CD1 4.17Å; M111-L145 HydrophobicContact CE-CB 4.44Å; M111-L145 HydrophobicContact CE-CD2 4.33Å; M111-L145 HydrophobicContact SD-CD1 4.29Å; M111-L145 HydrophobicContact SD-CD2 3.62Å; M111-L145 HydrophobicContact SD-CG 4.34Å; W127-L145 HydrophobicContact CE3-CB 4.12Å; W127-L145 HydrophobicContact CE3-CD1 4.34Å; W127-L145 HydrophobicContact CZ3-CB 3.92Å; W127-L145 HydrophobicContact CZ3-CD1 4.24Å; Y130-L145 HydrophobicContact CD1-CD1 3.51Å; Y130-L145 HydrophobicContact CD2-CD1 4.09Å; Y130-L145 HydrophobicContact CE1-CD1 3.57Å; Y130-L145 HydrophobicContact CE2-CD1 4.16Å; Y130-L145 HydrophobicContact CG-CD1 3.75Å; P142-L145 HydrophobicContact CG-CB 3.8Å; P142-L145 HydrophobicContact CG-CD1 3.61Å; P142-L145 HydrophobicContact CG-CG 3.56Å; P142-L145 PolarHBondContact O-N 2.72Å; L145-I147 PolarHBondContact O-N 3.15Å; L145-L148 HydrophobicContact CD2-CD1 4.24Å; L145-L148 PolarHBondContact O-N 3.12Å; L145-V149 WeakPolarHBondContact O-CB 3.41Å; L145-V149 WeakPolarHBondContact O-CG1 3.23Å; L145-V149 PolarHBondContact O-N 3.38Å |
| 146 | Q | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.2 | -47 | 170.8 | -72.3 | -174.3 | 31.9 | 0 | 0 | 110.7 | Y141 P142 S150 P178 V180 A183 | Y141-Q146 PolarHBondContact O-NE2 2.6Å; P142-Q146 PolarHBondContact O-N 3.32Å; Q146-S150 VanDerWaalsContact O-CB 3.23Å; Q146-S150 WeakPolarHBondContact O-CB 3.39Å; Q146-S150 PolarHBondContact O-N 3.11Å; Q146-S150 VanDerWaalsContact O-N 3.11Å; Q146-S150 PolarHBondContact O-OG 3.22Å; Q146-P178 PolarHBondContact NE2-O 3.5Å; Q146-P178 VanDerWaalsContact NE2-O 3.09Å; Q146-V180 HydrophobicContact CB-CG2 4.49Å; Q146-A183 HydrophobicContact CB-CB 4.02Å |
| 147 | I | 96.5 | Very high | 96.3 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 21% | 0.205 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -49.8 | 179.9 | -61.9 | 167 | 0 | 0 | 0 | 110.9 | R143 S144 L145 S150 G151 V180 K182 F186 V302 | R143-I147 VanDerWaalsContact O-CG1 3.31Å; R143-I147 WeakPolarHBondContact O-CG1 3.43Å; R143-I147 PolarHBondContact O-N 3.14Å; S144-I147 PolarHBondContact O-N 2.92Å; L145-I147 PolarHBondContact O-N 3.15Å; I147-S150 PolarHBondContact O-OG 3.14Å; I147-S150 VanDerWaalsContact O-OG 3.11Å; I147-G151 PolarHBondContact O-N 3.09Å; I147-V180 HydrophobicContact CD1-CG1 3.92Å; I147-V180 HydrophobicContact CG1-CB 4.43Å; I147-V180 HydrophobicContact CG1-CG1 3.79Å; I147-K182 HydrophobicContact CG1-CB 4.31Å; I147-K182 HydrophobicContact CG2-CG 4.1Å; I147-F186 HydrophobicContact CG2-CE2 4.08Å; I147-V302 HydrophobicContact CD1-CG2 4.32Å |
| 148 | L | 98 | Very high | 96.4 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 9% | 0.094 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | -175.9 | -71.5 | 166.5 | 0 | 0 | 0 | 111.6 | M111 D112 F115 S144 L145 S152 | M111-L148 HydrophobicContact CB-CB 4.35Å; M111-L148 HydrophobicContact CB-CD1 3.74Å; M111-L148 HydrophobicContact CE-CB 4.06Å; D112-L148 HydrophobicContact CB-CD1 4.39Å; D112-L148 HydrophobicContact CB-CD2 4.47Å; F115-L148 HydrophobicContact CB-CD2 3.94Å; F115-L148 HydrophobicContact CD2-CD2 4.42Å; F115-L148 HydrophobicContact CG-CD2 4.07Å; S144-L148 WeakPolarHBondContact O-CG 3.4Å; S144-L148 PolarHBondContact O-N 2.91Å; S144-L148 VanDerWaalsContact O-N 3.11Å; L145-L148 HydrophobicContact CD2-CD1 4.24Å; L145-L148 PolarHBondContact O-N 3.12Å; L148-S152 PolarHBondContact O-N 3.04Å; L148-S152 PolarHBondContact O-OG 2.95Å |
| 149 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.6 | -42.1 | -178.1 | 77.4 | 0 | 0 | 0 | 0 | 112.1 | M111 W127 L145 G151 S152 F153 L168 | M111-V149 HydrophobicContact CE-CB 4.01Å; W127-V149 HydrophobicContact CB-CB 4.45Å; W127-V149 HydrophobicContact CB-CG2 3.8Å; W127-V149 HydrophobicContact CD2-CB 4.38Å; W127-V149 HydrophobicContact CD2-CG1 4.38Å; W127-V149 HydrophobicContact CD2-CG2 4.14Å; W127-V149 HydrophobicContact CG-CB 4.25Å; W127-V149 HydrophobicContact CG-CG2 3.58Å; L145-V149 WeakPolarHBondContact O-CB 3.41Å; L145-V149 WeakPolarHBondContact O-CG1 3.23Å; L145-V149 PolarHBondContact O-N 3.38Å; V149-G151 VanDerWaalsContact C-N 3.34Å; V149-G151 PolarHBondContact O-N 3.29Å; V149-S152 WeakPolarHBondContact O-CB 3.44Å; V149-S152 PolarHBondContact O-N 3.46Å; V149-F153 HydrophobicContact CB-CE2 4.49Å; V149-F153 HydrophobicContact CG1-CE2 4.32Å; V149-F153 HydrophobicContact CG2-CD2 4.31Å; V149-F153 HydrophobicContact CG2-CE1 4.3Å; V149-F153 HydrophobicContact CG2-CE2 3.63Å; V149-F153 HydrophobicContact CG2-CZ 3.61Å; V149-F153 VanDerWaalsContact O-CD2 3.29Å; V149-F153 WeakPolarHBondContact O-CD2 3.29Å; V149-F153 WeakPolarHBondContact O-CG 3.5Å; V149-F153 PolarHBondContact O-N 3.3Å; V149-L168 HydrophobicContact CG1-CD1 3.77Å; V149-L168 HydrophobicContact CG1-CD2 3.54Å; V149-L168 HydrophobicContact CG1-CG 4.3Å |
| 150 | S | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 176.1 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | Q146 I147 S152 F153 Y154 A183 | Q146-S150 VanDerWaalsContact O-CB 3.23Å; Q146-S150 WeakPolarHBondContact O-CB 3.39Å; Q146-S150 PolarHBondContact O-N 3.11Å; Q146-S150 VanDerWaalsContact O-N 3.11Å; Q146-S150 PolarHBondContact O-OG 3.22Å; I147-S150 PolarHBondContact O-OG 3.14Å; I147-S150 VanDerWaalsContact O-OG 3.11Å; S150-S152 VanDerWaalsContact C-N 3.34Å; S150-S152 PolarHBondContact O-N 2.9Å; S150-F153 PolarHBondContact O-N 3.16Å; S150-Y154 WeakPolarHBondContact O-CB 3.42Å; S150-Y154 PolarHBondContact O-N 2.95Å; S150-A183 VanDerWaalsContact OG-CA 3.25Å; S150-A183 WeakPolarHBondContact OG-CA 3.24Å; S150-A183 WeakPolarHBondContact OG-CB 3.5Å |
| 151 | G | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I147 V149 Y154 K155 | I147-G151 PolarHBondContact O-N 3.09Å; V149-G151 VanDerWaalsContact C-N 3.34Å; V149-G151 PolarHBondContact O-N 3.29Å; G151-Y154 WeakPolarHBondContact O-CB 3.17Å; G151-Y154 PolarHBondContact O-N 3.03Å; G151-K155 WeakPolarHBondContact O-CG 3.37Å; G151-K155 PolarHBondContact O-N 3.14Å |
| 152 | S | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.8 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | V123 L148 V149 S150 Y154 K155 L156 | V123-S152 VanDerWaalsContact CB-OG 3.28Å; V123-S152 WeakPolarHBondContact CB-OG 3.43Å; V123-S152 VanDerWaalsContact CG1-OG 3.24Å; V123-S152 WeakPolarHBondContact CG1-OG 3.48Å; L148-S152 PolarHBondContact O-N 3.04Å; L148-S152 PolarHBondContact O-OG 2.95Å; V149-S152 WeakPolarHBondContact O-CB 3.44Å; V149-S152 PolarHBondContact O-N 3.46Å; S150-S152 VanDerWaalsContact C-N 3.34Å; S150-S152 PolarHBondContact O-N 2.9Å; S152-Y154 VanDerWaalsContact C-N 3.3Å; S152-Y154 PolarHBondContact O-N 3.11Å; S152-K155 PolarHBondContact O-N 3.01Å; S152-L156 WeakPolarHBondContact O-CB 3.47Å; S152-L156 WeakPolarHBondContact O-CG 3.31Å; S152-L156 PolarHBondContact O-N 3.4Å |
| 153 | F | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 173.9 | -66.3 | -40.6 | 0 | 0 | 0 | 111.8 | I124 V149 S150 L156 G157 S161 N164 A165 L168 L190 | I124-F153 HydrophobicContact CD1-CD1 3.54Å; I124-F153 HydrophobicContact CD1-CE1 3.5Å; I124-F153 VanDerWaalsContact CD1-CE1 3.5Å; I124-F153 HydrophobicContact CG1-CD1 4.01Å; I124-F153 HydrophobicContact CG1-CE1 3.64Å; I124-F153 HydrophobicContact CG1-CZ 4.46Å; I124-F153 HydrophobicContact CG2-CE1 4.11Å; V149-F153 HydrophobicContact CB-CE2 4.49Å; V149-F153 HydrophobicContact CG1-CE2 4.32Å; V149-F153 HydrophobicContact CG2-CD2 4.31Å; V149-F153 HydrophobicContact CG2-CE1 4.3Å; V149-F153 HydrophobicContact CG2-CE2 3.63Å; V149-F153 HydrophobicContact CG2-CZ 3.61Å; V149-F153 VanDerWaalsContact O-CD2 3.29Å; V149-F153 WeakPolarHBondContact O-CD2 3.29Å; V149-F153 WeakPolarHBondContact O-CG 3.5Å; V149-F153 PolarHBondContact O-N 3.3Å; S150-F153 PolarHBondContact O-N 3.16Å; F153-L156 PolarHBondContact O-N 3.5Å; F153-G157 PolarHBondContact O-N 3.13Å; F153-S161 WeakPolarHBondContact O-CB 3.19Å; F153-N164 HydrophobicContact CD1-CB 4.28Å; F153-N164 HydrophobicContact CE1-CB 3.56Å; F153-N164 HydrophobicContact CE2-CB 4.16Å; F153-N164 HydrophobicContact CZ-CB 3.5Å; F153-A165 HydrophobicContact CB-CB 4.13Å; F153-A165 HydrophobicContact CD2-CB 3.71Å; F153-A165 HydrophobicContact CE2-CB 4.43Å; F153-A165 HydrophobicContact CG-CB 4.15Å; F153-L168 HydrophobicContact CE2-CB 4.49Å; F153-L168 HydrophobicContact CE2-CD2 4.45Å; F153-L190 HydrophobicContact CB-CD2 4.12Å |
| 154 | Y | 97.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 6% | 0.063 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 176.7 | 170.9 | -107.2 | 0 | 0 | 0 | 112.4 | S150 G151 S152 G157 F186 A189 L190 D295 V298 | S150-Y154 WeakPolarHBondContact O-CB 3.42Å; S150-Y154 PolarHBondContact O-N 2.95Å; G151-Y154 WeakPolarHBondContact O-CB 3.17Å; G151-Y154 PolarHBondContact O-N 3.03Å; S152-Y154 VanDerWaalsContact C-N 3.3Å; S152-Y154 PolarHBondContact O-N 3.11Å; Y154-G157 PolarHBondContact O-N 2.67Å; Y154-F186 AromaticContact CD1-CD1 3.79Å; Y154-F186 HydrophobicContact CD1-CD1 3.79Å; Y154-F186 HydrophobicContact CD1-CE1 4.13Å; Y154-F186 AromaticContact CG-CD1 3.98Å; Y154-F186 HydrophobicContact CG-CD1 3.98Å; Y154-A189 HydrophobicContact CD2-CB 3.91Å; Y154-A189 HydrophobicContact CE2-CB 3.55Å; Y154-L190 HydrophobicContact CD2-CB 4.16Å; Y154-D295 VanDerWaalsContact CE1-OD1 3.23Å; Y154-D295 WeakPolarHBondContact CE1-OD1 3.26Å; Y154-D295 WeakPolarHBondContact OH-CA 3.46Å; Y154-D295 PolarHBondContact OH-OD1 2.86Å; Y154-V298 HydrophobicContact CD1-CG2 4.23Å; Y154-V298 HydrophobicContact CE1-CG2 3.56Å |
| 155 | K | 96.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 27% | 0.27 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 179.7 | -73.6 | -65.2 | -175.2 | -170.9 | 0 | 112.3 | F120 G151 S152 D295 C299 | F120-K155 HydrophobicContact CD1-CB 4.04Å; F120-K155 HydrophobicContact CD1-CG 4.31Å; F120-K155 HydrophobicContact CD2-CB 3.77Å; F120-K155 HydrophobicContact CE1-CB 4.03Å; F120-K155 HydrophobicContact CE1-CG 3.86Å; F120-K155 HydrophobicContact CE2-CB 3.75Å; F120-K155 HydrophobicContact CE2-CG 4.11Å; F120-K155 HydrophobicContact CG-CB 3.92Å; F120-K155 HydrophobicContact CZ-CB 3.88Å; F120-K155 HydrophobicContact CZ-CD 4.29Å; F120-K155 HydrophobicContact CZ-CG 3.75Å; G151-K155 WeakPolarHBondContact O-CG 3.37Å; G151-K155 PolarHBondContact O-N 3.14Å; S152-K155 PolarHBondContact O-N 3.01Å; K155-D295 IonicContact NZ-OD1 3.98Å; K155-D295 PolarHBondContact NZ-OD1 3.24Å; K155-D295 IonicContact NZ-OD2 2.73Å; K155-D295 PolarHBondContact NZ-OD2 3.18Å; K155-C299 WeakPolarHBondContact CE-SG 3.07Å; K155-C299 PolarHBondContact NZ-SG 2.68Å; K155-C299 VanDerWaalsContact NZ-SG 3.37Å |
| 156 | L | 96.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 30.2 Ų | 30.2 | 33% | 0.325 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68 | -42.5 | 176.1 | -72.3 | 166.7 | 0 | 0 | 0 | 112.7 | F120 I124 S152 F153 T158 S161 | F120-L156 HydrophobicContact CB-CD1 4.13Å; F120-L156 HydrophobicContact CB-CD2 4.16Å; F120-L156 HydrophobicContact CB-CG 3.85Å; I124-L156 HydrophobicContact CD1-CD1 3.28Å; I124-L156 HydrophobicContact CG1-CD1 4.48Å; S152-L156 WeakPolarHBondContact O-CB 3.47Å; S152-L156 WeakPolarHBondContact O-CG 3.31Å; S152-L156 PolarHBondContact O-N 3.4Å; F153-L156 PolarHBondContact O-N 3.5Å; L156-T158 HydrophobicContact CB-CG2 4.46Å; L156-T158 PolarHBondContact O-N 2.88Å; L156-T158 VanDerWaalsContact O-N 3.1Å; L156-S161 WeakPolarHBondContact CB-OG 3.16Å |
| 157 | G | 94.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | trans | 64.1 | 13.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | F153 Y154 | F153-G157 PolarHBondContact O-N 3.13Å; Y154-G157 PolarHBondContact O-N 2.67Å | ||
| 158 | T | 94.8 | Very high | 96.5 | Very high | 63 Ų | 63 | 31.9 Ų | 31.9 | 39% | 0.387 | 17% | 0.172 | S | C | . | . | trans | -76.1 | 159.9 | 179.2 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | L156 E160 S161 Y162 | L156-T158 HydrophobicContact CB-CG2 4.46Å; L156-T158 PolarHBondContact O-N 2.88Å; L156-T158 VanDerWaalsContact O-N 3.1Å; T158-E160 VanDerWaalsContact C-N 3.27Å; T158-E160 PolarHBondContact O-N 3.41Å; T158-S161 WeakPolarHBondContact O-CB 3.11Å; T158-S161 PolarHBondContact O-N 3.44Å; T158-S161 WeakPolarHBondContact OG1-CB 3.41Å; T158-S161 PolarHBondContact OG1-N 2.93Å; T158-S161 VanDerWaalsContact OG1-N 3.12Å; T158-S161 PolarHBondContact OG1-OG 2.96Å; T158-Y162 PolarHBondContact O-N 3.36Å | ||
| 159 | A | 94.5 | Very high | 96.3 | Very high | 63 Ų | 63 | 31.3 Ų | 31.3 | 52% | 0.521 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.1 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S161 Y162 D163 | A159-S161 VanDerWaalsContact C-N 3.35Å; A159-S161 PolarHBondContact O-N 3.22Å; A159-Y162 WeakPolarHBondContact O-CB 3.4Å; A159-Y162 PolarHBondContact O-N 3.27Å; A159-D163 PolarHBondContact O-N 3.21Å |
| 160 | E | 95.2 | Very high | 96.1 | Very high | 136 Ų | 136 | 32.1 Ų | 32.1 | 64% | 0.636 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -61.9 | -41.3 | 173.9 | -178.2 | 179.2 | -173.5 | 0 | 0 | 112.2 | T158 Y162 D163 N164 | T158-E160 VanDerWaalsContact C-N 3.27Å; T158-E160 PolarHBondContact O-N 3.41Å; E160-Y162 VanDerWaalsContact C-N 3.27Å; E160-Y162 PolarHBondContact O-N 3.49Å; E160-D163 PolarHBondContact O-N 3.07Å; E160-N164 WeakPolarHBondContact CG-ND2 3.13Å; E160-N164 VanDerWaalsContact O-CB 3.31Å; E160-N164 WeakPolarHBondContact O-CB 3.46Å; E160-N164 VanDerWaalsContact O-CG 3.25Å; E160-N164 PolarHBondContact O-N 2.88Å; E160-N164 PolarHBondContact O-ND2 3.1Å |
| 161 | S | 95.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -35.9 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | F153 L156 T158 A159 A165 | F153-S161 WeakPolarHBondContact O-CB 3.19Å; L156-S161 WeakPolarHBondContact CB-OG 3.16Å; T158-S161 WeakPolarHBondContact O-CB 3.11Å; T158-S161 PolarHBondContact O-N 3.44Å; T158-S161 WeakPolarHBondContact OG1-CB 3.41Å; T158-S161 PolarHBondContact OG1-N 2.93Å; T158-S161 VanDerWaalsContact OG1-N 3.12Å; T158-S161 PolarHBondContact OG1-OG 2.96Å; A159-S161 VanDerWaalsContact C-N 3.35Å; A159-S161 PolarHBondContact O-N 3.22Å; S161-A165 WeakPolarHBondContact O-CB 3.36Å; S161-A165 PolarHBondContact O-N 3.46Å |
| 162 | Y | 95.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -50.9 | 175.6 | 174.1 | -94 | 0 | 0 | 0 | 111.8 | T158 A159 E160 N164 A165 L166 L190 C191 R194 E196 | T158-Y162 PolarHBondContact O-N 3.36Å; A159-Y162 WeakPolarHBondContact O-CB 3.4Å; A159-Y162 PolarHBondContact O-N 3.27Å; E160-Y162 VanDerWaalsContact C-N 3.27Å; E160-Y162 PolarHBondContact O-N 3.49Å; Y162-N164 PolarHBondContact O-N 2.94Å; Y162-A165 PolarHBondContact O-N 3.39Å; Y162-L166 HydrophobicContact CD1-CD1 4.26Å; Y162-L166 HydrophobicContact CE1-CD1 3.6Å; Y162-L166 HydrophobicContact CE1-CG 4.48Å; Y162-L166 HydrophobicContact CE2-CD1 4.44Å; Y162-L166 PolarHBondContact O-N 2.87Å; Y162-L166 VanDerWaalsContact O-N 3.1Å; Y162-L190 HydrophobicContact CD2-CG 4.32Å; Y162-C191 HydrophobicContact CE2-CB 4.39Å; Y162-R194 HydrophobicContact CD2-CG 4.32Å; Y162-E196 HydrophobicContact CE2-CG 4.38Å |
| 163 | D | 96.2 | Very high | 95.4 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 34% | 0.342 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 179.2 | -71.7 | -34.5 | 0 | 0 | 0 | 111.4 | A159 E160 A165 L166 E167 | A159-D163 PolarHBondContact O-N 3.21Å; E160-D163 PolarHBondContact O-N 3.07Å; D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 3.25Å; D163-L166 PolarHBondContact O-N 2.75Å; D163-E167 PolarHBondContact O-N 2.77Å |
| 164 | N | 96.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 19% | 0.193 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66 | -32.4 | 176.7 | -72.4 | -30.6 | 0 | 0 | 0 | 112.8 | F153 E160 Y162 E167 L168 | F153-N164 HydrophobicContact CD1-CB 4.28Å; F153-N164 HydrophobicContact CE1-CB 3.56Å; F153-N164 HydrophobicContact CE2-CB 4.16Å; F153-N164 HydrophobicContact CZ-CB 3.5Å; E160-N164 WeakPolarHBondContact CG-ND2 3.13Å; E160-N164 VanDerWaalsContact O-CB 3.31Å; E160-N164 WeakPolarHBondContact O-CB 3.46Å; E160-N164 VanDerWaalsContact O-CG 3.25Å; E160-N164 PolarHBondContact O-N 2.88Å; E160-N164 PolarHBondContact O-ND2 3.1Å; Y162-N164 PolarHBondContact O-N 2.94Å; N164-E167 PolarHBondContact O-N 3.12Å; N164-L168 WeakPolarHBondContact O-CB 3.34Å; N164-L168 PolarHBondContact O-N 3.1Å |
| 165 | A | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F153 S161 Y162 D163 L168 L169 V187 L190 | F153-A165 HydrophobicContact CB-CB 4.13Å; F153-A165 HydrophobicContact CD2-CB 3.71Å; F153-A165 HydrophobicContact CE2-CB 4.43Å; F153-A165 HydrophobicContact CG-CB 4.15Å; S161-A165 WeakPolarHBondContact O-CB 3.36Å; S161-A165 PolarHBondContact O-N 3.46Å; Y162-A165 PolarHBondContact O-N 3.39Å; D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 3.25Å; A165-L168 WeakPolarHBondContact O-CB 3.43Å; A165-L168 PolarHBondContact O-N 3.37Å; A165-L169 WeakPolarHBondContact O-CG 3.36Å; A165-L169 PolarHBondContact O-N 3.29Å; A165-V187 HydrophobicContact CB-CG1 4Å; A165-V187 HydrophobicContact CB-CG2 4.03Å; A165-L190 HydrophobicContact CB-CD2 3.93Å |
| 166 | L | 95.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 47.7 Ų | 47.7 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 173.3 | -64 | -179.2 | 0 | 0 | 0 | 111.5 | Y162 D163 L168 L169 S170 V187 M199 L203 | Y162-L166 HydrophobicContact CD1-CD1 4.26Å; Y162-L166 HydrophobicContact CE1-CD1 3.6Å; Y162-L166 HydrophobicContact CE1-CG 4.48Å; Y162-L166 HydrophobicContact CE2-CD1 4.44Å; Y162-L166 PolarHBondContact O-N 2.87Å; Y162-L166 VanDerWaalsContact O-N 3.1Å; D163-L166 PolarHBondContact O-N 2.75Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 2.78Å; L166-L169 PolarHBondContact O-N 2.95Å; L166-S170 WeakPolarHBondContact O-CB 3.3Å; L166-S170 PolarHBondContact O-N 3.19Å; L166-S170 PolarHBondContact O-OG 3.44Å; L166-V187 HydrophobicContact CD2-CG1 4.28Å; L166-M199 HydrophobicContact CD2-CG 4.31Å; L166-M199 HydrophobicContact CD2-SD 4.43Å; L166-L203 HydrophobicContact CD2-CD1 3.95Å |
| 167 | E | 95.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 46 Ų | 46 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 173.9 | -172.5 | -173.3 | 137.9 | 0 | 0 | 111.8 | K131 D163 N164 S170 G171 | K131-E167 IonicContact NZ-OE1 2.68Å; D163-E167 PolarHBondContact O-N 2.77Å; N164-E167 PolarHBondContact O-N 3.12Å; E167-S170 WeakPolarHBondContact CA-OG 3.27Å; E167-S170 PolarHBondContact O-OG 3.02Å; E167-G171 PolarHBondContact O-N 3.49Å |
| 168 | L | 96.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 174.8 | 178.5 | 79.3 | 0 | 0 | 0 | 111.3 | W127 Y141 V149 F153 N164 A165 L166 G171 C172 | W127-L168 HydrophobicContact CH2-CD1 3.98Å; W127-L168 HydrophobicContact CZ2-CD1 3.43Å; W127-L168 VanDerWaalsContact CZ2-CD1 3.43Å; Y141-L168 HydrophobicContact CD1-CD1 3.74Å; Y141-L168 HydrophobicContact CE1-CD1 3.89Å; V149-L168 HydrophobicContact CG1-CD1 3.77Å; V149-L168 HydrophobicContact CG1-CD2 3.54Å; V149-L168 HydrophobicContact CG1-CG 4.3Å; F153-L168 HydrophobicContact CE2-CB 4.49Å; F153-L168 HydrophobicContact CE2-CD2 4.45Å; N164-L168 WeakPolarHBondContact O-CB 3.34Å; N164-L168 PolarHBondContact O-N 3.1Å; A165-L168 WeakPolarHBondContact O-CB 3.43Å; A165-L168 PolarHBondContact O-N 3.37Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 2.78Å; L168-G171 PolarHBondContact O-N 2.74Å; L168-C172 PolarHBondContact O-N 3.33Å; L168-C172 PolarHBondContact O-SG 3.48Å |
| 169 | L | 94.7 | Very high | 94 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -42.7 | -179.3 | -64.6 | -175 | 0 | 0 | 0 | 111.5 | A165 L166 G171 C172 I173 L179 L184 V187 L203 | A165-L169 WeakPolarHBondContact O-CG 3.36Å; A165-L169 PolarHBondContact O-N 3.29Å; L166-L169 PolarHBondContact O-N 2.95Å; L169-G171 VanDerWaalsContact C-N 3.3Å; L169-G171 PolarHBondContact O-N 3.43Å; L169-C172 PolarHBondContact O-N 3.11Å; L169-I173 WeakPolarHBondContact O-CG1 3.18Å; L169-I173 PolarHBondContact O-N 3.28Å; L169-L179 HydrophobicContact CD2-CD2 3.54Å; L169-L184 HydrophobicContact CD1-CD1 4.02Å; L169-V187 HydrophobicContact CD1-CB 3.87Å; L169-V187 HydrophobicContact CD1-CG1 3.68Å; L169-V187 HydrophobicContact CD1-CG2 3.98Å; L169-V187 HydrophobicContact CD2-CG2 4.24Å; L169-V187 HydrophobicContact CG-CG1 4.46Å; L169-V187 HydrophobicContact CG-CG2 4.11Å; L169-L203 HydrophobicContact CD1-CD1 4.13Å; L169-L203 HydrophobicContact CD1-CD2 3.78Å |
| 170 | S | 93.6 | Very high | 94 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | L166 E167 I173 G174 | L166-S170 WeakPolarHBondContact O-CB 3.3Å; L166-S170 PolarHBondContact O-N 3.19Å; L166-S170 PolarHBondContact O-OG 3.44Å; E167-S170 WeakPolarHBondContact CA-OG 3.27Å; E167-S170 PolarHBondContact O-OG 3.02Å; S170-I173 PolarHBondContact O-N 2.93Å; S170-G174 PolarHBondContact O-N 2.93Å |
| 171 | G | 93.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y141 E167 L168 L169 Q175 | Y141-G171 VanDerWaalsContact CE2-O 3.28Å; Y141-G171 WeakPolarHBondContact CE2-O 3.24Å; Y141-G171 WeakPolarHBondContact OH-CA 3.29Å; E167-G171 PolarHBondContact O-N 3.49Å; L168-G171 PolarHBondContact O-N 2.74Å; L169-G171 VanDerWaalsContact C-N 3.3Å; L169-G171 PolarHBondContact O-N 3.43Å; G171-Q175 PolarHBondContact O-N 2.88Å; G171-Q175 VanDerWaalsContact O-N 3.11Å |
| 172 | C | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 173.3 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | Y141 L168 L169 E176 V177 L179 | Y141-C172 VanDerWaalsContact CB-SG 3.55Å; Y141-C172 VanDerWaalsContact CD1-SG 3.5Å; Y141-C172 HydrophobicContact CG-CB 4.49Å; L168-C172 PolarHBondContact O-N 3.33Å; L168-C172 PolarHBondContact O-SG 3.48Å; L169-C172 PolarHBondContact O-N 3.11Å; C172-E176 PolarHBondContact O-N 2.98Å; C172-V177 PolarHBondContact O-N 3.38Å; C172-L179 HydrophobicContact CB-CD2 3.39Å; C172-L179 HydrophobicContact CB-CG 4.17Å |
| 173 | I | 92.5 | Very high | 93.6 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 33% | 0.328 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 179.5 | -66.2 | 166.6 | 0 | 0 | 0 | 110.7 | L169 S170 Q175 E176 L179 | L169-I173 WeakPolarHBondContact O-CG1 3.18Å; L169-I173 PolarHBondContact O-N 3.28Å; S170-I173 PolarHBondContact O-N 2.93Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.16Å; I173-E176 PolarHBondContact O-N 3.41Å; I173-L179 HydrophobicContact CD1-CD1 4.18Å; I173-L179 HydrophobicContact CG1-CD1 3.98Å |
| 174 | G | 91.1 | Very high | 93.6 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 67% | 0.67 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.4 | -26.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S170 | S170-G174 PolarHBondContact O-N 2.93Å |
| 175 | Q | 92.5 | Very high | 93.5 | Very high | 89 Ų | 89 | 43.6 Ų | 43.6 | 42% | 0.416 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 11.7 | 173.5 | -62.5 | -171.8 | 22.7 | 0 | 0 | 113.1 | Y136 Y141 G171 I173 V177 | Y136-Q175 PolarHBondContact OH-NE2 3.33Å; Y141-Q175 HydrophobicContact CE2-CG 4.28Å; G171-Q175 PolarHBondContact O-N 2.88Å; G171-Q175 VanDerWaalsContact O-N 3.11Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.16Å; Q175-V177 HydrophobicContact CB-CG2 4.09Å; Q175-V177 PolarHBondContact O-N 2.96Å; Q175-V177 VanDerWaalsContact O-N 3.08Å |
| 176 | E | 90.9 | Very high | 93.5 | Very high | 177 Ų | 177 | 44 Ų | 44 | 83% | 0.827 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 27.7 | 179.6 | -54.9 | -174 | 161 | 0 | 0 | 113.8 | C172 I173 | C172-E176 PolarHBondContact O-N 2.98Å; I173-E176 PolarHBondContact O-N 3.41Å |
| 177 | V | 91.6 | Very high | 93.6 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 16% | 0.164 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 130.5 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | P140 Y141 C172 Q175 L179 | P140-V177 HydrophobicContact CB-CG2 4.39Å; P140-V177 HydrophobicContact CG-CG2 3.98Å; Y141-V177 HydrophobicContact CD2-CG2 4.26Å; C172-V177 PolarHBondContact O-N 3.38Å; Q175-V177 HydrophobicContact CB-CG2 4.09Å; Q175-V177 PolarHBondContact O-N 2.96Å; Q175-V177 VanDerWaalsContact O-N 3.08Å; V177-L179 PolarHBondContact O-N 3.02Å |
| 178 | P | 90.5 | Very high | 93.7 | Very high | 104 Ų | 104 | 39.3 Ų | 39.3 | 68% | 0.675 | 22% | 0.215 | S | C | * | . | P | Polyproline II helix | trans | -56.9 | 127 | 177.9 | -26.5 | 34.4 | 0 | 0 | 0 | 112.8 | Q146 V180 | Q146-P178 PolarHBondContact NE2-O 3.5Å; Q146-P178 VanDerWaalsContact NE2-O 3.09Å; P178-V180 PolarHBondContact O-N 3.41Å |
| 179 | L | 92.2 | Very high | 93.7 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -72.2 | 125.9 | 173.6 | -76.5 | 177 | 0 | 0 | 0 | 111.1 | L169 C172 I173 V177 R181 L206 | L169-L179 HydrophobicContact CD2-CD2 3.54Å; C172-L179 HydrophobicContact CB-CD2 3.39Å; C172-L179 HydrophobicContact CB-CG 4.17Å; I173-L179 HydrophobicContact CD1-CD1 4.18Å; I173-L179 HydrophobicContact CG1-CD1 3.98Å; V177-L179 PolarHBondContact O-N 3.02Å; L179-R181 PolarHBondContact O-N 2.89Å; L179-L206 HydrophobicContact CD1-CD1 4.02Å |
| 180 | V | 92.6 | Very high | 93.8 | Very high | 14 Ų | 14 | 39 Ų | 39 | 9% | 0.085 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -76.5 | 121 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | R143 Q146 I147 P178 K182 A183 L184 | R143-V180 HydrophobicContact CB-CG2 3.63Å; R143-V180 HydrophobicContact CG-CG2 3.59Å; Q146-V180 HydrophobicContact CB-CG2 4.49Å; I147-V180 HydrophobicContact CD1-CG1 3.92Å; I147-V180 HydrophobicContact CG1-CB 4.43Å; I147-V180 HydrophobicContact CG1-CG1 3.79Å; P178-V180 PolarHBondContact O-N 3.41Å; V180-K182 HydrophobicContact CG1-CB 4.21Å; V180-K182 PolarHBondContact O-N 2.89Å; V180-K182 VanDerWaalsContact O-N 3.08Å; V180-A183 HydrophobicContact CB-CB 4.17Å; V180-A183 WeakPolarHBondContact O-CA 3.33Å; V180-A183 WeakPolarHBondContact O-CB 3.23Å; V180-A183 PolarHBondContact O-N 3.1Å; V180-L184 PolarHBondContact O-N 3.18Å |
| 181 | R | 91.7 | Very high | 94 | Very high | 137 Ų | 137 | 38.1 Ų | 38.1 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -46.1 | -43.6 | 178.4 | -174.5 | -172.5 | -64.8 | 159.6 | -4.8 | 113.8 | L179 L184 F185 L207 | L179-R181 PolarHBondContact O-N 2.89Å; R181-L184 WeakPolarHBondContact O-CB 3.39Å; R181-L184 PolarHBondContact O-N 3.04Å; R181-F185 HydrophobicContact CG-CD2 4.11Å; R181-F185 HydrophobicContact CG-CE1 4.12Å; R181-F185 HydrophobicContact CG-CE2 3.5Å; R181-F185 HydrophobicContact CG-CZ 3.5Å; R181-F185 VanDerWaalsContact CG-CZ 3.5Å; R181-F185 WeakPolarHBondContact O-CG 3.41Å; R181-F185 PolarHBondContact O-N 3.38Å; R181-L207 HydrophobicContact CG-CD1 4.2Å; R181-L207 HydrophobicContact CG-CD2 4.17Å |
| 182 | K | 92.2 | Very high | 94 | Very high | 32 Ų | 32 | 38 Ų | 38 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 178.4 | -174.5 | 65.7 | 161.2 | -171 | 0 | 112.3 | I147 V180 F185 F186 V298 L300 V302 | I147-K182 HydrophobicContact CG1-CB 4.31Å; I147-K182 HydrophobicContact CG2-CG 4.1Å; V180-K182 HydrophobicContact CG1-CB 4.21Å; V180-K182 PolarHBondContact O-N 2.89Å; V180-K182 VanDerWaalsContact O-N 3.08Å; K182-F185 PolarHBondContact O-N 3.16Å; K182-F186 HydrophobicContact CD-CE2 4.39Å; K182-F186 HydrophobicContact CG-CD2 4.44Å; K182-F186 HydrophobicContact CG-CE2 4.02Å; K182-F186 WeakPolarHBondContact O-CD2 3.31Å; K182-F186 PolarHBondContact O-N 3.46Å; K182-F186 VanDerWaalsContact O-N 3.15Å; K182-V298 WeakPolarHBondContact CE-O 3.49Å; K182-V298 PolarHBondContact NZ-O 3.21Å; K182-L300 WeakPolarHBondContact CE-O 3.49Å; K182-L300 PolarHBondContact NZ-O 2.87Å; K182-V302 HydrophobicContact CG-CG2 4.3Å |
| 183 | A | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q146 S150 V180 F185 F186 V187 | Q146-A183 HydrophobicContact CB-CB 4.02Å; S150-A183 VanDerWaalsContact OG-CA 3.25Å; S150-A183 WeakPolarHBondContact OG-CA 3.24Å; S150-A183 WeakPolarHBondContact OG-CB 3.5Å; V180-A183 HydrophobicContact CB-CB 4.17Å; V180-A183 WeakPolarHBondContact O-CA 3.33Å; V180-A183 WeakPolarHBondContact O-CB 3.23Å; V180-A183 PolarHBondContact O-N 3.1Å; A183-F185 VanDerWaalsContact C-N 3.33Å; A183-F185 PolarHBondContact O-N 3.04Å; A183-F186 WeakPolarHBondContact O-CB 3.49Å; A183-F186 PolarHBondContact O-N 2.94Å; A183-F186 VanDerWaalsContact O-N 3.15Å; A183-V187 WeakPolarHBondContact O-CG2 3.28Å; A183-V187 PolarHBondContact O-N 3.06Å; A183-V187 VanDerWaalsContact O-N 3.14Å |
| 184 | L | 95.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.5 | -44.5 | 174 | -177.5 | 63.1 | 0 | 0 | 0 | 112 | L169 V180 R181 F186 V187 V188 L203 L206 L207 | L169-L184 HydrophobicContact CD1-CD1 4.02Å; V180-L184 PolarHBondContact O-N 3.18Å; R181-L184 WeakPolarHBondContact O-CB 3.39Å; R181-L184 PolarHBondContact O-N 3.04Å; L184-F186 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.4Å; L184-V187 PolarHBondContact O-N 2.93Å; L184-V187 VanDerWaalsContact O-N 3.15Å; L184-V188 HydrophobicContact CD1-CG2 4.26Å; L184-V188 HydrophobicContact CG-CG2 4.26Å; L184-V188 VanDerWaalsContact O-CG2 3.31Å; L184-V188 WeakPolarHBondContact O-CG2 3.45Å; L184-V188 PolarHBondContact O-N 3.46Å; L184-L203 HydrophobicContact CD1-CB 4.15Å; L184-L206 HydrophobicContact CD1-CD1 4.16Å; L184-L206 HydrophobicContact CD2-CB 4.21Å; L184-L207 HydrophobicContact CD2-CD1 4.18Å; L184-L207 HydrophobicContact CD2-CD2 3.84Å; L184-L207 HydrophobicContact CD2-CG 3.71Å |
| 185 | F | 95.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 176.5 | -67.6 | -27.5 | 0 | 0 | 0 | 113.5 | R181 K182 A183 A189 L207 S213 T215 L219 | R181-F185 HydrophobicContact CG-CD2 4.11Å; R181-F185 HydrophobicContact CG-CE1 4.12Å; R181-F185 HydrophobicContact CG-CE2 3.5Å; R181-F185 HydrophobicContact CG-CZ 3.5Å; R181-F185 VanDerWaalsContact CG-CZ 3.5Å; R181-F185 WeakPolarHBondContact O-CG 3.41Å; R181-F185 PolarHBondContact O-N 3.38Å; K182-F185 PolarHBondContact O-N 3.16Å; A183-F185 VanDerWaalsContact C-N 3.33Å; A183-F185 PolarHBondContact O-N 3.04Å; F185-A189 VanDerWaalsContact O-CB 3.24Å; F185-A189 WeakPolarHBondContact O-CB 3.21Å; F185-A189 PolarHBondContact O-N 3.43Å; F185-L207 HydrophobicContact CD1-CD1 4.39Å; F185-L207 HydrophobicContact CE1-CD1 3.43Å; F185-L207 VanDerWaalsContact CE1-CD1 3.43Å; F185-L207 HydrophobicContact CZ-CD1 3.89Å; F185-S213 WeakPolarHBondContact CZ-OG 3.44Å; F185-T215 HydrophobicContact CB-CG2 4.23Å; F185-T215 HydrophobicContact CD2-CG2 3.6Å; F185-T215 HydrophobicContact CE2-CG2 4.04Å; F185-T215 HydrophobicContact CG-CG2 3.96Å; F185-L219 HydrophobicContact CB-CD1 4.01Å; F185-L219 HydrophobicContact CD1-CD1 3.89Å; F185-L219 HydrophobicContact CG-CD1 4.13Å |
| 186 | F | 97.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.1 | -77.7 | -56 | 0 | 0 | 0 | 111.9 | I147 Y154 K182 A183 L184 A189 L190 V298 | I147-F186 HydrophobicContact CG2-CE2 4.08Å; Y154-F186 AromaticContact CD1-CD1 3.79Å; Y154-F186 HydrophobicContact CD1-CD1 3.79Å; Y154-F186 HydrophobicContact CD1-CE1 4.13Å; Y154-F186 AromaticContact CG-CD1 3.98Å; Y154-F186 HydrophobicContact CG-CD1 3.98Å; K182-F186 HydrophobicContact CD-CE2 4.39Å; K182-F186 HydrophobicContact CG-CD2 4.44Å; K182-F186 HydrophobicContact CG-CE2 4.02Å; K182-F186 WeakPolarHBondContact O-CD2 3.31Å; K182-F186 PolarHBondContact O-N 3.46Å; K182-F186 VanDerWaalsContact O-N 3.15Å; A183-F186 WeakPolarHBondContact O-CB 3.49Å; A183-F186 PolarHBondContact O-N 2.94Å; A183-F186 VanDerWaalsContact O-N 3.15Å; L184-F186 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.4Å; F186-A189 PolarHBondContact O-N 3.28Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 3.39Å; F186-V298 HydrophobicContact CD1-CB 4.25Å; F186-V298 HydrophobicContact CD1-CG2 4.12Å; F186-V298 HydrophobicContact CE1-CB 4.22Å; F186-V298 HydrophobicContact CE1-CG2 4.05Å; F186-V298 VanDerWaalsContact CE1-O 3.27Å; F186-V298 WeakPolarHBondContact CE1-O 3.06Å; F186-V298 VanDerWaalsContact CZ-O 3.27Å; F186-V298 WeakPolarHBondContact CZ-O 3.32Å |
| 187 | V | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 179.2 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | A165 L166 L169 A183 L184 A189 L190 C191 L203 | A165-V187 HydrophobicContact CB-CG1 4Å; A165-V187 HydrophobicContact CB-CG2 4.03Å; L166-V187 HydrophobicContact CD2-CG1 4.28Å; L169-V187 HydrophobicContact CD1-CB 3.87Å; L169-V187 HydrophobicContact CD1-CG1 3.68Å; L169-V187 HydrophobicContact CD1-CG2 3.98Å; L169-V187 HydrophobicContact CD2-CG2 4.24Å; L169-V187 HydrophobicContact CG-CG1 4.46Å; L169-V187 HydrophobicContact CG-CG2 4.11Å; A183-V187 WeakPolarHBondContact O-CG2 3.28Å; A183-V187 PolarHBondContact O-N 3.06Å; A183-V187 VanDerWaalsContact O-N 3.14Å; L184-V187 PolarHBondContact O-N 2.93Å; L184-V187 VanDerWaalsContact O-N 3.15Å; V187-A189 VanDerWaalsContact C-N 3.34Å; V187-A189 PolarHBondContact O-N 3.34Å; V187-L190 WeakPolarHBondContact O-CB 3.24Å; V187-L190 PolarHBondContact O-N 3.42Å; V187-L190 VanDerWaalsContact O-N 3.12Å; V187-C191 PolarHBondContact O-N 2.74Å; V187-C191 PolarHBondContact O-SG 3.42Å; V187-L203 HydrophobicContact CG1-CD1 3.8Å |
| 188 | V | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L184 L190 C191 L192 A200 L203 I204 L219 I223 | L184-V188 HydrophobicContact CD1-CG2 4.26Å; L184-V188 HydrophobicContact CG-CG2 4.26Å; L184-V188 VanDerWaalsContact O-CG2 3.31Å; L184-V188 WeakPolarHBondContact O-CG2 3.45Å; L184-V188 PolarHBondContact O-N 3.46Å; V188-L190 VanDerWaalsContact C-N 3.29Å; V188-L190 PolarHBondContact O-N 3.36Å; V188-C191 WeakPolarHBondContact O-CB 3.29Å; V188-C191 PolarHBondContact O-N 3.43Å; V188-L192 PolarHBondContact O-N 3.2Å; V188-A200 HydrophobicContact CG1-CB 4.31Å; V188-L203 HydrophobicContact CG2-CB 3.76Å; V188-I204 HydrophobicContact CG1-CB 4.3Å; V188-I204 HydrophobicContact CG1-CD1 4.24Å; V188-I204 HydrophobicContact CG1-CG1 4.41Å; V188-I204 HydrophobicContact CG2-CB 4.13Å; V188-I204 HydrophobicContact CG2-CG1 4.45Å; V188-L219 HydrophobicContact CG1-CB 4.31Å; V188-L219 HydrophobicContact CG1-CD1 4.17Å; V188-I223 HydrophobicContact CG1-CD1 3.71Å |
| 189 | A | 97.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -34.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y154 F185 F186 V187 L192 K193 L219 V298 | Y154-A189 HydrophobicContact CD2-CB 3.91Å; Y154-A189 HydrophobicContact CE2-CB 3.55Å; F185-A189 VanDerWaalsContact O-CB 3.24Å; F185-A189 WeakPolarHBondContact O-CB 3.21Å; F185-A189 PolarHBondContact O-N 3.43Å; F186-A189 PolarHBondContact O-N 3.28Å; V187-A189 VanDerWaalsContact C-N 3.34Å; V187-A189 PolarHBondContact O-N 3.34Å; A189-L192 PolarHBondContact O-N 3.38Å; A189-K193 PolarHBondContact O-N 2.99Å; A189-L219 HydrophobicContact CB-CD2 4.05Å; A189-V298 HydrophobicContact CB-CG1 4.05Å |
| 190 | L | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 173.1 | 178.2 | 58.6 | 0 | 0 | 0 | 111.7 | F153 Y154 Y162 A165 F186 V187 V188 L192 K193 R194 | F153-L190 HydrophobicContact CB-CD2 4.12Å; Y154-L190 HydrophobicContact CD2-CB 4.16Å; Y162-L190 HydrophobicContact CD2-CG 4.32Å; A165-L190 HydrophobicContact CB-CD2 3.93Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 3.39Å; V187-L190 WeakPolarHBondContact O-CB 3.24Å; V187-L190 PolarHBondContact O-N 3.42Å; V187-L190 VanDerWaalsContact O-N 3.12Å; V188-L190 VanDerWaalsContact C-N 3.29Å; V188-L190 PolarHBondContact O-N 3.36Å; L190-L192 VanDerWaalsContact C-N 3.34Å; L190-L192 PolarHBondContact O-N 2.72Å; L190-K193 PolarHBondContact O-N 2.99Å; L190-R194 HydrophobicContact CD1-CG 4.39Å; L190-R194 WeakPolarHBondContact O-CB 3.42Å; L190-R194 WeakPolarHBondContact O-CG 3.34Å; L190-R194 PolarHBondContact O-N 2.74Å; L190-R194 VanDerWaalsContact O-N 3.09Å |
| 191 | C | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 173 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | Y162 V187 V188 R194 N195 E196 A200 | Y162-C191 HydrophobicContact CE2-CB 4.39Å; V187-C191 PolarHBondContact O-N 2.74Å; V187-C191 PolarHBondContact O-SG 3.42Å; V188-C191 WeakPolarHBondContact O-CB 3.29Å; V188-C191 PolarHBondContact O-N 3.43Å; C191-R194 CarbonylContact O-C 3.14Å; C191-R194 PolarHBondContact O-N 3.5Å; C191-R194 VanDerWaalsContact O-N 3.14Å; C191-N195 PolarHBondContact O-N 3.43Å; C191-N195 VanDerWaalsContact O-N 3.16Å; C191-E196 HydrophobicContact CB-CB 4.36Å; C191-E196 PolarHBondContact O-N 3.35Å; C191-A200 HydrophobicContact CB-CB 3.73Å |
| 192 | L | 95.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.8 | -72.5 | 176.9 | 0 | 0 | 0 | 112.8 | V188 A189 L190 R194 N195 A200 L219 I222 I223 R226 | V188-L192 PolarHBondContact O-N 3.2Å; A189-L192 PolarHBondContact O-N 3.38Å; L190-L192 VanDerWaalsContact C-N 3.34Å; L190-L192 PolarHBondContact O-N 2.72Å; L192-R194 PolarHBondContact O-N 3Å; L192-N195 PolarHBondContact O-N 3.25Å; L192-A200 HydrophobicContact CD2-CB 4.09Å; L192-A200 HydrophobicContact CG-CB 4.13Å; L192-L219 HydrophobicContact CD1-CD2 3.8Å; L192-I222 HydrophobicContact CD1-CB 4.23Å; L192-I222 HydrophobicContact CD1-CG2 3.89Å; L192-I222 HydrophobicContact CD2-CG2 3.97Å; L192-I222 HydrophobicContact CG-CG2 4.5Å; L192-I223 HydrophobicContact CD1-CG1 4.03Å; L192-I223 HydrophobicContact CD2-CG1 3.7Å; L192-I223 HydrophobicContact CG-CG1 4.14Å; L192-R226 PolarHBondContact O-NH1 3.24Å |
| 193 | K | 94 | Very high | 95.4 | Very high | 126 Ų | 126 | 37.9 Ų | 37.9 | 55% | 0.548 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.9 | -29.4 | 175.2 | -168.6 | 178.2 | -177.8 | 178.3 | 0 | 112.2 | A189 L190 | A189-K193 PolarHBondContact O-N 2.99Å; L190-K193 PolarHBondContact O-N 2.99Å |
| 194 | R | 93.9 | Very high | 95.4 | Very high | 119 Ų | 119 | 37.8 Ų | 37.8 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 0.8 | 178.5 | -72.1 | -102.5 | 42.4 | 124 | -5.2 | 114.1 | Y162 L190 C191 L192 E196 | Y162-R194 HydrophobicContact CD2-CG 4.32Å; L190-R194 HydrophobicContact CD1-CG 4.39Å; L190-R194 WeakPolarHBondContact O-CB 3.42Å; L190-R194 WeakPolarHBondContact O-CG 3.34Å; L190-R194 PolarHBondContact O-N 2.74Å; L190-R194 VanDerWaalsContact O-N 3.09Å; C191-R194 CarbonylContact O-C 3.14Å; C191-R194 PolarHBondContact O-N 3.5Å; C191-R194 VanDerWaalsContact O-N 3.14Å; L192-R194 PolarHBondContact O-N 3Å; R194-E196 VanDerWaalsContact C-N 3.28Å; R194-E196 HydrophobicContact CB-CG 4.25Å; R194-E196 PolarHBondContact O-N 3.2Å |
| 195 | N | 93 | Very high | 95.2 | Very high | 118 Ų | 118 | 40.7 Ų | 40.7 | 63% | 0.631 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 26.4 | -175.2 | -157.2 | 42.6 | 0 | 0 | 0 | 114.9 | C191 L192 A197 | C191-N195 PolarHBondContact O-N 3.43Å; C191-N195 VanDerWaalsContact O-N 3.16Å; L192-N195 PolarHBondContact O-N 3.25Å; N195-A197 PolarHBondContact O-N 3.37Å |
| 196 | E | 93.9 | Very high | 95 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 43% | 0.425 | 21% | 0.212 | S | C | . | . | trans | -97.1 | 65.3 | 178.6 | -65.8 | -66.3 | 169 | 0 | 0 | 110.5 | Y162 C191 R194 N198 M199 A200 | Y162-E196 HydrophobicContact CE2-CG 4.38Å; C191-E196 HydrophobicContact CB-CB 4.36Å; C191-E196 PolarHBondContact O-N 3.35Å; R194-E196 VanDerWaalsContact C-N 3.28Å; R194-E196 HydrophobicContact CB-CG 4.25Å; R194-E196 PolarHBondContact O-N 3.2Å; E196-N198 VanDerWaalsContact C-N 3.34Å; E196-N198 PolarHBondContact O-N 3.47Å; E196-M199 HydrophobicContact CB-CB 4.29Å; E196-M199 PolarHBondContact O-N 3.11Å; E196-A200 PolarHBondContact O-N 3.43Å | ||
| 197 | A | 94 | Very high | 94.6 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -36 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N195 A200 F201 R226 L227 | N195-A197 PolarHBondContact O-N 3.37Å; A197-A200 PolarHBondContact O-N 2.89Å; A197-F201 PolarHBondContact O-N 2.91Å; A197-R226 HydrophobicContact CB-CB 3.85Å; A197-L227 HydrophobicContact CB-CD2 3.96Å; A197-L227 HydrophobicContact CB-CG 4.35Å |
| 198 | N | 95.1 | Very high | 94 | Very high | 116 Ų | 116 | 54.6 Ų | 54.6 | 62% | 0.62 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.9 | -49.1 | 176.7 | -67.2 | -39.2 | 0 | 0 | 0 | 111.1 | E196 A200 F201 E202 L227 | E196-N198 VanDerWaalsContact C-N 3.34Å; E196-N198 PolarHBondContact O-N 3.47Å; N198-A200 VanDerWaalsContact C-N 3.34Å; N198-A200 PolarHBondContact O-N 3.22Å; N198-F201 WeakPolarHBondContact O-CB 3.4Å; N198-F201 PolarHBondContact O-N 2.86Å; N198-E202 PolarHBondContact O-N 2.9Å; N198-E202 VanDerWaalsContact O-N 3.13Å; N198-L227 WeakPolarHBondContact OD1-CD2 3.31Å |
| 199 | M | 95 | Very high | 93.4 | Very high | 59 Ų | 59 | 60 Ų | 60 | 29% | 0.291 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.7 | -173.6 | 59.5 | 64.8 | 0 | 0 | 111.5 | L166 E196 F201 E202 L203 | L166-M199 HydrophobicContact CD2-CG 4.31Å; L166-M199 HydrophobicContact CD2-SD 4.43Å; E196-M199 HydrophobicContact CB-CB 4.29Å; E196-M199 PolarHBondContact O-N 3.11Å; M199-F201 PolarHBondContact O-N 3.45Å; M199-E202 PolarHBondContact O-N 3.46Å; M199-L203 HydrophobicContact CG-CD1 4.18Å; M199-L203 HydrophobicContact CG-CG 4.38Å; M199-L203 WeakPolarHBondContact O-CB 3.5Å; M199-L203 VanDerWaalsContact O-CG 3.31Å; M199-L203 WeakPolarHBondContact O-CG 3.45Å; M199-L203 PolarHBondContact O-N 3.4Å; M199-L203 HydrophobicContact SD-CG 4.34Å |
| 200 | A | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V188 C191 L192 E196 A197 N198 I204 I223 | V188-A200 HydrophobicContact CG1-CB 4.31Å; C191-A200 HydrophobicContact CB-CB 3.73Å; L192-A200 HydrophobicContact CD2-CB 4.09Å; L192-A200 HydrophobicContact CG-CB 4.13Å; E196-A200 PolarHBondContact O-N 3.43Å; A197-A200 PolarHBondContact O-N 2.89Å; N198-A200 VanDerWaalsContact C-N 3.34Å; N198-A200 PolarHBondContact O-N 3.22Å; A200-I204 WeakPolarHBondContact O-CB 3.49Å; A200-I204 PolarHBondContact O-N 3.37Å; A200-I223 HydrophobicContact CB-CD1 3.88Å; A200-I223 HydrophobicContact CB-CG1 3.81Å |
| 201 | F | 96 | Very high | 92.3 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 176.8 | -172.8 | -106.6 | 0 | 0 | 0 | 112.7 | A197 N198 M199 L203 I204 N205 Y220 I223 L224 L227 | A197-F201 PolarHBondContact O-N 2.91Å; N198-F201 WeakPolarHBondContact O-CB 3.4Å; N198-F201 PolarHBondContact O-N 2.86Å; M199-F201 PolarHBondContact O-N 3.45Å; F201-L203 VanDerWaalsContact C-N 3.32Å; F201-L203 PolarHBondContact O-N 2.94Å; F201-I204 WeakPolarHBondContact O-CG2 3.49Å; F201-I204 PolarHBondContact O-N 3.48Å; F201-N205 WeakPolarHBondContact CD1-ND2 3.37Å; F201-N205 WeakPolarHBondContact CE1-ND2 3.42Å; F201-N205 WeakPolarHBondContact CE2-ND2 3.36Å; F201-N205 WeakPolarHBondContact CZ-ND2 3.48Å; F201-N205 WeakPolarHBondContact O-CB 3.45Å; F201-N205 VanDerWaalsContact O-CG 3.25Å; F201-N205 PolarHBondContact O-N 3.4Å; F201-N205 PolarHBondContact O-ND2 2.97Å; F201-N205 VanDerWaalsContact O-ND2 3.1Å; F201-Y220 HydrophobicContact CD2-CE2 4.3Å; F201-Y220 AromaticContact CE2-CE2 3.89Å; F201-Y220 HydrophobicContact CE2-CE2 3.89Å; F201-I223 HydrophobicContact CB-CG2 3.55Å; F201-I223 HydrophobicContact CD2-CG2 3.76Å; F201-I223 HydrophobicContact CG-CG2 4.13Å; F201-L224 HydrophobicContact CD2-CD2 4.32Å; F201-L224 HydrophobicContact CE2-CD2 3.81Å; F201-L227 HydrophobicContact CB-CD1 3.78Å; F201-L227 HydrophobicContact CD1-CD1 4.36Å; F201-L227 HydrophobicContact CD2-CD1 3.92Å; F201-L227 HydrophobicContact CG-CD1 3.75Å |
| 202 | E | 93.7 | Very high | 91.6 | Very high | 79 Ų | 79 | 66.1 Ų | 66.1 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.3 | -64.5 | -52.3 | 139.1 | 0 | 0 | 111.6 | N198 M199 | N198-E202 PolarHBondContact O-N 2.9Å; N198-E202 VanDerWaalsContact O-N 3.13Å; M199-E202 PolarHBondContact O-N 3.46Å |
| 203 | L | 94.6 | Very high | 91.2 | Very high | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.2 | -42.2 | -179.8 | -69.4 | -178.4 | 0 | 0 | 0 | 112.5 | L166 L169 L184 V187 V188 M199 F201 N205 L206 | L166-L203 HydrophobicContact CD2-CD1 3.95Å; L169-L203 HydrophobicContact CD1-CD1 4.13Å; L169-L203 HydrophobicContact CD1-CD2 3.78Å; L184-L203 HydrophobicContact CD1-CB 4.15Å; V187-L203 HydrophobicContact CG1-CD1 3.8Å; V188-L203 HydrophobicContact CG2-CB 3.76Å; M199-L203 HydrophobicContact CG-CD1 4.18Å; M199-L203 HydrophobicContact CG-CG 4.38Å; M199-L203 WeakPolarHBondContact O-CB 3.5Å; M199-L203 VanDerWaalsContact O-CG 3.31Å; M199-L203 WeakPolarHBondContact O-CG 3.45Å; M199-L203 PolarHBondContact O-N 3.4Å; M199-L203 HydrophobicContact SD-CG 4.34Å; F201-L203 VanDerWaalsContact C-N 3.32Å; F201-L203 PolarHBondContact O-N 2.94Å; L203-N205 VanDerWaalsContact C-N 3.27Å; L203-N205 PolarHBondContact O-N 3.4Å; L203-L206 HydrophobicContact CD2-CD1 4.2Å; L203-L206 VanDerWaalsContact O-CB 3.28Å; L203-L206 WeakPolarHBondContact O-CB 3.05Å; L203-L206 WeakPolarHBondContact O-CG 3.39Å; L203-L206 PolarHBondContact O-N 3.1Å |
| 204 | I | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.2 | -29.8 | -177 | -152.5 | 175.6 | 0 | 0 | 0 | 111.8 | V188 A200 F201 L206 L207 P210 L219 Y220 I223 | V188-I204 HydrophobicContact CG1-CB 4.3Å; V188-I204 HydrophobicContact CG1-CD1 4.24Å; V188-I204 HydrophobicContact CG1-CG1 4.41Å; V188-I204 HydrophobicContact CG2-CB 4.13Å; V188-I204 HydrophobicContact CG2-CG1 4.45Å; A200-I204 WeakPolarHBondContact O-CB 3.49Å; A200-I204 PolarHBondContact O-N 3.37Å; F201-I204 WeakPolarHBondContact O-CG2 3.49Å; F201-I204 PolarHBondContact O-N 3.48Å; I204-L206 PolarHBondContact O-N 2.83Å; I204-L207 WeakPolarHBondContact O-CB 3.45Å; I204-L207 PolarHBondContact O-N 3.44Å; I204-L207 VanDerWaalsContact O-N 3.08Å; I204-P210 HydrophobicContact CD1-CB 3.99Å; I204-P210 HydrophobicContact CG1-CB 3.74Å; I204-L219 HydrophobicContact CD1-CB 3.85Å; I204-Y220 HydrophobicContact CD1-CD2 4.22Å; I204-Y220 HydrophobicContact CG2-CD2 3.77Å; I204-Y220 HydrophobicContact CG2-CE2 4.18Å; I204-I223 HydrophobicContact CB-CD1 3.98Å; I204-I223 HydrophobicContact CD1-CD1 3.71Å; I204-I223 HydrophobicContact CG1-CD1 4.42Å; I204-I223 HydrophobicContact CG2-CD1 3.76Å |
| 205 | N | 92.8 | Very high | 90.9 | Very high | 64 Ų | 64 | 57 Ų | 57 | 34% | 0.342 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -5.2 | 176.1 | -68.9 | -24.8 | 0 | 0 | 0 | 114 | F201 L203 L207 | F201-N205 WeakPolarHBondContact CD1-ND2 3.37Å; F201-N205 WeakPolarHBondContact CE1-ND2 3.42Å; F201-N205 WeakPolarHBondContact CE2-ND2 3.36Å; F201-N205 WeakPolarHBondContact CZ-ND2 3.48Å; F201-N205 WeakPolarHBondContact O-CB 3.45Å; F201-N205 VanDerWaalsContact O-CG 3.25Å; F201-N205 PolarHBondContact O-N 3.4Å; F201-N205 PolarHBondContact O-ND2 2.97Å; F201-N205 VanDerWaalsContact O-ND2 3.1Å; L203-N205 VanDerWaalsContact C-N 3.27Å; L203-N205 PolarHBondContact O-N 3.4Å; N205-L207 PolarHBondContact O-N 3.46Å |
| 206 | L | 90.8 | Very high | 90.9 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 38% | 0.377 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.8 | 162.5 | -61.8 | 176.7 | 0 | 0 | 0 | 111.5 | L179 L184 L203 I204 | L179-L206 HydrophobicContact CD1-CD1 4.02Å; L184-L206 HydrophobicContact CD1-CD1 4.16Å; L184-L206 HydrophobicContact CD2-CB 4.21Å; L203-L206 HydrophobicContact CD2-CD1 4.2Å; L203-L206 VanDerWaalsContact O-CB 3.28Å; L203-L206 WeakPolarHBondContact O-CB 3.05Å; L203-L206 WeakPolarHBondContact O-CG 3.39Å; L203-L206 PolarHBondContact O-N 3.1Å; I204-L206 PolarHBondContact O-N 2.83Å |
| 207 | L | 89.1 | Confident | 90.8 | Very high | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -86.9 | 130.1 | 167 | -54.8 | 176.2 | 0 | 0 | 0 | 109.3 | R181 L184 F185 I204 N205 K209 P210 | R181-L207 HydrophobicContact CG-CD1 4.2Å; R181-L207 HydrophobicContact CG-CD2 4.17Å; L184-L207 HydrophobicContact CD2-CD1 4.18Å; L184-L207 HydrophobicContact CD2-CD2 3.84Å; L184-L207 HydrophobicContact CD2-CG 3.71Å; F185-L207 HydrophobicContact CD1-CD1 4.39Å; F185-L207 HydrophobicContact CE1-CD1 3.43Å; F185-L207 VanDerWaalsContact CE1-CD1 3.43Å; F185-L207 HydrophobicContact CZ-CD1 3.89Å; I204-L207 WeakPolarHBondContact O-CB 3.45Å; I204-L207 PolarHBondContact O-N 3.44Å; I204-L207 VanDerWaalsContact O-N 3.08Å; N205-L207 PolarHBondContact O-N 3.46Å; L207-K209 PolarHBondContact O-N 3.48Å; L207-P210 HydrophobicContact CB-CB 4.43Å; L207-P210 HydrophobicContact CD1-CB 4.47Å |
| 208 | K | 84.4 | Confident | 90.8 | Very high | 206 Ų | 206 | 46.5 Ų | 46.5 | 90% | 0.896 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -57.8 | -31.9 | 176.4 | -65.4 | -173.4 | 177.9 | -174.7 | 0 | 113.7 | ||
| 209 | K | 85.8 | Confident | 90.9 | Very high | 115 Ų | 115 | 41 Ų | 41 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | trans | -145.1 | 80.4 | -179 | -69.3 | 177.7 | 170.5 | -175.6 | 0 | 110 | L207 E211 E212 | L207-K209 PolarHBondContact O-N 3.48Å; K209-E211 VanDerWaalsContact C-OE2 3.31Å; K209-E211 PolarHBondContact O-N 2.92Å; K209-E212 HydrophobicContact CB-CB 4.49Å; K209-E212 HydrophobicContact CB-CG 3.68Å; K209-E212 HydrophobicContact CD-CG 4.07Å; K209-E212 WeakPolarHBondContact CD-OE1 3.29Å; K209-E212 IonicContact NZ-OE1 2.74Å; K209-E212 PolarHBondContact O-N 3.22Å | ||
| 210 | P | 85.4 | Confident | 90.9 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -59.6 | -30.7 | -178.3 | 26.1 | -36.1 | 0 | 0 | 0 | 112.8 | I204 L207 E212 G216 R217 Y220 | I204-P210 HydrophobicContact CD1-CB 3.99Å; I204-P210 HydrophobicContact CG1-CB 3.74Å; L207-P210 HydrophobicContact CB-CB 4.43Å; L207-P210 HydrophobicContact CD1-CB 4.47Å; P210-E212 VanDerWaalsContact C-N 3.27Å; P210-E212 PolarHBondContact O-N 3.48Å; P210-G216 CarbonylContact O-C 3.52Å; P210-G216 WeakPolarHBondContact O-CA 3.24Å; P210-R217 PolarHBondContact O-N 3.26Å; P210-Y220 HydrophobicContact CB-CD2 4.26Å; P210-Y220 HydrophobicContact CB-CG 4.42Å; P210-Y220 HydrophobicContact CG-CD1 4.42Å; P210-Y220 HydrophobicContact CG-CD2 3.73Å; P210-Y220 HydrophobicContact CG-CE2 3.87Å; P210-Y220 HydrophobicContact CG-CG 4.02Å |
| 211 | E | 84.5 | Confident | 90.9 | Very high | 37 Ų | 37 | 39.5 Ų | 39.5 | 17% | 0.173 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -73.4 | -3.7 | 179.9 | 75.7 | -69.5 | 166.2 | 0 | 0 | 114.9 | K209 R217 V236 F248 | K209-E211 VanDerWaalsContact C-OE2 3.31Å; K209-E211 PolarHBondContact O-N 2.92Å; E211-R217 HydrophobicContact CB-CB 4.41Å; E211-R217 HydrophobicContact CB-CG 4.22Å; E211-R217 PolarHBondContact O-NE 3.09Å; E211-R217 PolarHBondContact O-NH2 2.78Å; E211-V236 HydrophobicContact CB-CG1 4.15Å; E211-F248 HydrophobicContact CG-CZ 4.36Å; E211-F248 VanDerWaalsContact O-CE1 3.28Å; E211-F248 WeakPolarHBondContact O-CE1 3.47Å |
| 212 | E | 83.2 | Confident | 90.9 | Very high | 88 Ų | 88 | 38.4 Ų | 38.4 | 41% | 0.411 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -66.7 | -36.4 | 176.5 | -84.4 | -179.9 | 173.1 | 0 | 0 | 113 | K209 P210 R217 | K209-E212 HydrophobicContact CB-CB 4.49Å; K209-E212 HydrophobicContact CB-CG 3.68Å; K209-E212 HydrophobicContact CD-CG 4.07Å; K209-E212 WeakPolarHBondContact CD-OE1 3.29Å; K209-E212 IonicContact NZ-OE1 2.74Å; K209-E212 PolarHBondContact O-N 3.22Å; P210-E212 VanDerWaalsContact C-N 3.27Å; P210-E212 PolarHBondContact O-N 3.48Å; E212-R217 PolarHBondContact O-NH2 2.91Å |
| 213 | S | 86.8 | Confident | 91 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -100.2 | 148.8 | -177.8 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | F185 T215 G216 R217 | F185-S213 WeakPolarHBondContact CZ-OG 3.44Å; S213-T215 VanDerWaalsContact C-N 3.28Å; S213-T215 PolarHBondContact O-N 3.43Å; S213-G216 PolarHBondContact O-N 3.37Å; S213-G216 WeakPolarHBondContact OG-CA 3.47Å; S213-G216 PolarHBondContact OG-N 2.78Å; S213-R217 VanDerWaalsContact O-CB 3.23Å; S213-R217 WeakPolarHBondContact O-CB 3.41Å; S213-R217 PolarHBondContact O-N 3.04Å |
| 214 | V | 89.2 | Confident | 91 | Very high | 20 Ų | 20 | 34 Ų | 34 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.8 | -43.6 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | S218 D252 K254 L290 L297 | V214-S218 WeakPolarHBondContact O-CB 3.43Å; V214-S218 PolarHBondContact O-N 3.12Å; V214-S218 PolarHBondContact O-OG 3.17Å; V214-D252 WeakPolarHBondContact CG2-O 3.43Å; V214-K254 HydrophobicContact CG1-CB 4Å; V214-K254 HydrophobicContact CG2-CB 3.91Å; V214-L290 HydrophobicContact CG1-CD2 4.45Å; V214-L297 HydrophobicContact CG1-CD1 3.96Å; V214-L297 HydrophobicContact CG1-CD2 4.39Å |
| 215 | T | 91.6 | Very high | 91 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.117 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -54.1 | 176.8 | -49.6 | 0 | 0 | 0 | 0 | 111.8 | F185 S213 R217 S218 L219 L297 V298 | F185-T215 HydrophobicContact CB-CG2 4.23Å; F185-T215 HydrophobicContact CD2-CG2 3.6Å; F185-T215 HydrophobicContact CE2-CG2 4.04Å; F185-T215 HydrophobicContact CG-CG2 3.96Å; S213-T215 VanDerWaalsContact C-N 3.28Å; S213-T215 PolarHBondContact O-N 3.43Å; T215-R217 PolarHBondContact O-N 2.62Å; T215-S218 PolarHBondContact O-N 2.97Å; T215-L219 HydrophobicContact CG2-CD1 4.1Å; T215-L219 WeakPolarHBondContact O-CG 3.49Å; T215-L219 PolarHBondContact O-N 3.49Å; T215-L297 HydrophobicContact CG2-CD2 4.45Å; T215-L297 HydrophobicContact CG2-CG 4.08Å; T215-V298 HydrophobicContact CG2-CG1 3.86Å |
| 216 | G | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P210 S213 S218 L219 Y220 | P210-G216 CarbonylContact O-C 3.52Å; P210-G216 WeakPolarHBondContact O-CA 3.24Å; S213-G216 PolarHBondContact O-N 3.37Å; S213-G216 WeakPolarHBondContact OG-CA 3.47Å; S213-G216 PolarHBondContact OG-N 2.78Å; G216-S218 PolarHBondContact O-N 3.42Å; G216-L219 PolarHBondContact O-N 3.24Å; G216-Y220 WeakPolarHBondContact O-CB 3.46Å; G216-Y220 PolarHBondContact O-N 3.47Å |
| 217 | R | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.7 | -167.6 | 179.6 | -53.7 | 115.3 | -1.4 | 112.6 | P210 E211 E212 S213 T215 L219 Y220 C221 V236 D252 K254 | P210-R217 PolarHBondContact O-N 3.26Å; E211-R217 HydrophobicContact CB-CB 4.41Å; E211-R217 HydrophobicContact CB-CG 4.22Å; E211-R217 PolarHBondContact O-NE 3.09Å; E211-R217 PolarHBondContact O-NH2 2.78Å; E212-R217 PolarHBondContact O-NH2 2.91Å; S213-R217 VanDerWaalsContact O-CB 3.23Å; S213-R217 WeakPolarHBondContact O-CB 3.41Å; S213-R217 PolarHBondContact O-N 3.04Å; T215-R217 PolarHBondContact O-N 2.62Å; R217-L219 PolarHBondContact O-N 2.84Å; R217-Y220 PolarHBondContact O-N 3.15Å; R217-C221 PolarHBondContact O-N 3.17Å; R217-C221 PolarHBondContact O-SG 3.49Å; R217-V236 HydrophobicContact CG-CG1 3.8Å; R217-D252 PolarHBondContact NH1-O 3.29Å; R217-D252 PolarHBondContact NH2-O 2.97Å; R217-K254 PolarHBondContact NH1-O 3.42Å |
| 218 | S | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 179.9 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | V214 T215 G216 I222 A256 A259 | V214-S218 WeakPolarHBondContact O-CB 3.43Å; V214-S218 PolarHBondContact O-N 3.12Å; V214-S218 PolarHBondContact O-OG 3.17Å; T215-S218 PolarHBondContact O-N 2.97Å; G216-S218 PolarHBondContact O-N 3.42Å; S218-I222 WeakPolarHBondContact O-CG1 3.49Å; S218-I222 PolarHBondContact O-N 2.93Å; S218-A256 PolarHBondContact OG-N 2.94Å; S218-A259 WeakPolarHBondContact O-CB 3.39Å |
| 219 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 173.8 | -68.2 | 171.4 | 0 | 0 | 0 | 111.5 | F185 V188 A189 L192 I204 T215 G216 R217 C221 I222 I223 I294 V298 | F185-L219 HydrophobicContact CB-CD1 4.01Å; F185-L219 HydrophobicContact CD1-CD1 3.89Å; F185-L219 HydrophobicContact CG-CD1 4.13Å; V188-L219 HydrophobicContact CG1-CB 4.31Å; V188-L219 HydrophobicContact CG1-CD1 4.17Å; A189-L219 HydrophobicContact CB-CD2 4.05Å; L192-L219 HydrophobicContact CD1-CD2 3.8Å; I204-L219 HydrophobicContact CD1-CB 3.85Å; T215-L219 HydrophobicContact CG2-CD1 4.1Å; T215-L219 WeakPolarHBondContact O-CG 3.49Å; T215-L219 PolarHBondContact O-N 3.49Å; G216-L219 PolarHBondContact O-N 3.24Å; R217-L219 PolarHBondContact O-N 2.84Å; L219-C221 PolarHBondContact O-N 3.19Å; L219-I222 PolarHBondContact O-N 3.02Å; L219-I223 WeakPolarHBondContact O-CD1 3.42Å; L219-I223 VanDerWaalsContact O-CG1 3.22Å; L219-I223 WeakPolarHBondContact O-CG1 3.33Å; L219-I223 PolarHBondContact O-N 3.18Å; L219-I294 HydrophobicContact CD2-CG2 3.7Å; L219-V298 HydrophobicContact CD1-CG1 4.25Å; L219-V298 HydrophobicContact CD2-CG1 4.47Å |
| 220 | Y | 95.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 24.9 Ų | 24.9 | 11% | 0.106 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | -179 | -167.7 | -118.8 | 0 | 0 | 0 | 112.3 | F201 I204 P210 G216 R217 I222 I223 L224 V236 | F201-Y220 HydrophobicContact CD2-CE2 4.3Å; F201-Y220 AromaticContact CE2-CE2 3.89Å; F201-Y220 HydrophobicContact CE2-CE2 3.89Å; I204-Y220 HydrophobicContact CD1-CD2 4.22Å; I204-Y220 HydrophobicContact CG2-CD2 3.77Å; I204-Y220 HydrophobicContact CG2-CE2 4.18Å; P210-Y220 HydrophobicContact CB-CD2 4.26Å; P210-Y220 HydrophobicContact CB-CG 4.42Å; P210-Y220 HydrophobicContact CG-CD1 4.42Å; P210-Y220 HydrophobicContact CG-CD2 3.73Å; P210-Y220 HydrophobicContact CG-CE2 3.87Å; P210-Y220 HydrophobicContact CG-CG 4.02Å; G216-Y220 WeakPolarHBondContact O-CB 3.46Å; G216-Y220 PolarHBondContact O-N 3.47Å; R217-Y220 PolarHBondContact O-N 3.15Å; Y220-I222 VanDerWaalsContact C-N 3.33Å; Y220-I222 PolarHBondContact O-N 2.91Å; Y220-I223 PolarHBondContact O-N 3.03Å; Y220-L224 HydrophobicContact CD1-CD1 3.76Å; Y220-L224 HydrophobicContact CD1-CG 4.38Å; Y220-L224 HydrophobicContact CE1-CD1 3.38Å; Y220-L224 HydrophobicContact CE1-CG 4.12Å; Y220-L224 HydrophobicContact CE2-CD1 4.46Å; Y220-L224 HydrophobicContact CE2-CD2 4.5Å; Y220-L224 HydrophobicContact CE2-CG 4.34Å; Y220-L224 HydrophobicContact CG-CD1 4.43Å; Y220-L224 WeakPolarHBondContact O-CG 3.46Å; Y220-L224 PolarHBondContact O-N 3.29Å; Y220-V236 HydrophobicContact CD1-CG2 4.17Å; Y220-V236 HydrophobicContact CE1-CG2 4.04Å |
| 221 | C | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 174.7 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | R217 L219 G225 V233 V263 | R217-C221 PolarHBondContact O-N 3.17Å; R217-C221 PolarHBondContact O-SG 3.49Å; L219-C221 PolarHBondContact O-N 3.19Å; C221-G225 PolarHBondContact O-N 3.48Å; C221-V233 HydrophobicContact CB-CG1 4.26Å; C221-V263 HydrophobicContact CB-CG2 4.33Å |
| 222 | I | 95.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.9 | -67.3 | 167.6 | 0 | 0 | 0 | 110.6 | L192 S218 L219 Y220 G225 R226 A259 E262 I294 | L192-I222 HydrophobicContact CD1-CB 4.23Å; L192-I222 HydrophobicContact CD1-CG2 3.89Å; L192-I222 HydrophobicContact CD2-CG2 3.97Å; L192-I222 HydrophobicContact CG-CG2 4.5Å; S218-I222 WeakPolarHBondContact O-CG1 3.49Å; S218-I222 PolarHBondContact O-N 2.93Å; L219-I222 PolarHBondContact O-N 3.02Å; Y220-I222 VanDerWaalsContact C-N 3.33Å; Y220-I222 PolarHBondContact O-N 2.91Å; I222-G225 PolarHBondContact O-N 2.63Å; I222-R226 HydrophobicContact CG2-CG 4.5Å; I222-R226 WeakPolarHBondContact O-CG 3.39Å; I222-R226 PolarHBondContact O-N 2.9Å; I222-A259 HydrophobicContact CD1-CB 3.95Å; I222-A259 HydrophobicContact CG1-CB 3.8Å; I222-E262 HydrophobicContact CG1-CB 4.38Å; I222-E262 WeakPolarHBondContact CG2-OE2 3.39Å; I222-I294 HydrophobicContact CD1-CD1 3.55Å; I222-I294 HydrophobicContact CD1-CG1 3.55Å |
| 223 | I | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.5 | -54.8 | 179.5 | -67.3 | 161.8 | 0 | 0 | 0 | 110.4 | V188 L192 A200 F201 I204 L219 Y220 G225 R226 L227 | V188-I223 HydrophobicContact CG1-CD1 3.71Å; L192-I223 HydrophobicContact CD1-CG1 4.03Å; L192-I223 HydrophobicContact CD2-CG1 3.7Å; L192-I223 HydrophobicContact CG-CG1 4.14Å; A200-I223 HydrophobicContact CB-CD1 3.88Å; A200-I223 HydrophobicContact CB-CG1 3.81Å; F201-I223 HydrophobicContact CB-CG2 3.55Å; F201-I223 HydrophobicContact CD2-CG2 3.76Å; F201-I223 HydrophobicContact CG-CG2 4.13Å; I204-I223 HydrophobicContact CB-CD1 3.98Å; I204-I223 HydrophobicContact CD1-CD1 3.71Å; I204-I223 HydrophobicContact CG1-CD1 4.42Å; I204-I223 HydrophobicContact CG2-CD1 3.76Å; L219-I223 WeakPolarHBondContact O-CD1 3.42Å; L219-I223 VanDerWaalsContact O-CG1 3.22Å; L219-I223 WeakPolarHBondContact O-CG1 3.33Å; L219-I223 PolarHBondContact O-N 3.18Å; Y220-I223 PolarHBondContact O-N 3.03Å; I223-G225 VanDerWaalsContact C-N 3.28Å; I223-G225 PolarHBondContact O-N 3.35Å; I223-R226 PolarHBondContact O-N 2.76Å; I223-R226 VanDerWaalsContact O-N 3.16Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 HydrophobicContact CG2-CG 4.49Å; I223-L227 WeakPolarHBondContact O-CG 3.46Å; I223-L227 PolarHBondContact O-N 2.94Å |
| 224 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -40 | 179.2 | -71.2 | 178.6 | 0 | 0 | 0 | 111.9 | F201 Y220 R226 L227 G228 R229 E232 V233 | F201-L224 HydrophobicContact CD2-CD2 4.32Å; F201-L224 HydrophobicContact CE2-CD2 3.81Å; Y220-L224 HydrophobicContact CD1-CD1 3.76Å; Y220-L224 HydrophobicContact CD1-CG 4.38Å; Y220-L224 HydrophobicContact CE1-CD1 3.38Å; Y220-L224 HydrophobicContact CE1-CG 4.12Å; Y220-L224 HydrophobicContact CE2-CD1 4.46Å; Y220-L224 HydrophobicContact CE2-CD2 4.5Å; Y220-L224 HydrophobicContact CE2-CG 4.34Å; Y220-L224 HydrophobicContact CG-CD1 4.43Å; Y220-L224 WeakPolarHBondContact O-CG 3.46Å; Y220-L224 PolarHBondContact O-N 3.29Å; L224-R226 VanDerWaalsContact C-N 3.34Å; L224-R226 PolarHBondContact O-N 3.5Å; L224-L227 CarbonylContact O-C 3.52Å; L224-L227 PolarHBondContact O-N 2.78Å; L224-G228 PolarHBondContact O-N 2.75Å; L224-G228 VanDerWaalsContact O-N 3.13Å; L224-R229 HydrophobicContact CB-CB 4.25Å; L224-R229 HydrophobicContact CD2-CB 3.88Å; L224-R229 HydrophobicContact CD2-CG 4.45Å; L224-R229 PolarHBondContact O-N 3.47Å; L224-E232 HydrophobicContact CD1-CB 3.95Å; L224-V233 HydrophobicContact CB-CG2 3.38Å; L224-V233 HydrophobicContact CD1-CG2 4.2Å; L224-V233 HydrophobicContact CG-CG2 4.47Å |
| 225 | G | 94.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C221 I222 I223 G228 | C221-G225 PolarHBondContact O-N 3.48Å; I222-G225 PolarHBondContact O-N 2.63Å; I223-G225 VanDerWaalsContact C-N 3.28Å; I223-G225 PolarHBondContact O-N 3.35Å; G225-G228 PolarHBondContact O-N 3.26Å |
| 226 | R | 94.5 | Very high | 93.7 | Very high | 78 Ų | 78 | 25.1 Ų | 25.1 | 29% | 0.294 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -73.7 | -27 | 176.5 | -69.4 | -174.8 | -176.2 | -167 | 9.2 | 113.5 | L192 A197 I222 I223 L224 E262 | L192-R226 PolarHBondContact O-NH1 3.24Å; A197-R226 HydrophobicContact CB-CB 3.85Å; I222-R226 HydrophobicContact CG2-CG 4.5Å; I222-R226 WeakPolarHBondContact O-CG 3.39Å; I222-R226 PolarHBondContact O-N 2.9Å; I223-R226 PolarHBondContact O-N 2.76Å; I223-R226 VanDerWaalsContact O-N 3.16Å; L224-R226 VanDerWaalsContact C-N 3.34Å; L224-R226 PolarHBondContact O-N 3.5Å; R226-E262 IonicContact CZ-OE1 3.71Å; R226-E262 IonicContact CZ-OE2 2.78Å; R226-E262 IonicContact NE-OE2 3.24Å; R226-E262 PolarHBondContact NE-OE2 3.35Å; R226-E262 IonicContact NH2-OE1 3.67Å; R226-E262 PolarHBondContact NH2-OE1 3.4Å; R226-E262 IonicContact NH2-OE2 2.75Å; R226-E262 PolarHBondContact NH2-OE2 2.89Å |
| 227 | L | 94.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 25.1 Ų | 25.1 | 26% | 0.262 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.7 | 172.3 | -65 | -179.7 | 0 | 0 | 0 | 113.4 | A197 N198 F201 I223 L224 R229 | A197-L227 HydrophobicContact CB-CD2 3.96Å; A197-L227 HydrophobicContact CB-CG 4.35Å; N198-L227 WeakPolarHBondContact OD1-CD2 3.31Å; F201-L227 HydrophobicContact CB-CD1 3.78Å; F201-L227 HydrophobicContact CD1-CD1 4.36Å; F201-L227 HydrophobicContact CD2-CD1 3.92Å; F201-L227 HydrophobicContact CG-CD1 3.75Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 HydrophobicContact CG2-CG 4.49Å; I223-L227 WeakPolarHBondContact O-CG 3.46Å; I223-L227 PolarHBondContact O-N 2.94Å; L224-L227 CarbonylContact O-C 3.52Å; L224-L227 PolarHBondContact O-N 2.78Å; L227-R229 HydrophobicContact CB-CG 4.26Å; L227-R229 PolarHBondContact O-N 3.39Å |
| 228 | G | 92.5 | Very high | 93.5 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 53% | 0.526 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 9.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L224 G225 L230 | L224-G228 PolarHBondContact O-N 2.75Å; L224-G228 VanDerWaalsContact O-N 3.13Å; G225-G228 PolarHBondContact O-N 3.26Å; G228-L230 PolarHBondContact O-N 3.22Å |
| 229 | R | 94 | Very high | 93.1 | Very high | 90 Ų | 90 | 32.9 Ų | 32.9 | 34% | 0.34 | 18% | 0.175 | S | C | . | . | trans | -81.6 | 56 | 178.4 | -65.3 | 174.9 | 68 | 163 | 2.4 | 110.8 | L224 L227 A231 E232 V233 | L224-R229 HydrophobicContact CB-CB 4.25Å; L224-R229 HydrophobicContact CD2-CB 3.88Å; L224-R229 HydrophobicContact CD2-CG 4.45Å; L224-R229 PolarHBondContact O-N 3.47Å; L227-R229 HydrophobicContact CB-CG 4.26Å; L227-R229 PolarHBondContact O-N 3.39Å; R229-A231 PolarHBondContact O-N 2.96Å; R229-E232 IonicContact CZ-OE1 3.72Å; R229-E232 IonicContact CZ-OE2 3.87Å; R229-E232 IonicContact NE-OE1 2.74Å; R229-E232 PolarHBondContact NE-OE1 3.09Å; R229-E232 IonicContact NE-OE2 3.62Å; R229-E232 PolarHBondContact NE-OE2 3.48Å; R229-E232 IonicContact NH2-OE1 2.79Å; R229-E232 PolarHBondContact NH2-OE1 2.83Å; R229-E232 IonicContact NH2-OE2 2.72Å; R229-E232 PolarHBondContact NH2-OE2 3.49Å; R229-E232 PolarHBondContact O-N 3.14Å; R229-V233 PolarHBondContact O-N 2.87Å | ||
| 230 | L | 92.2 | Very high | 92.6 | Very high | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68 | -34 | -168.5 | -61.1 | 169.9 | 0 | 0 | 0 | 113 | G228 E232 V233 L234 L267 L272 | G228-L230 PolarHBondContact O-N 3.22Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 3.47Å; L230-V233 WeakPolarHBondContact O-CB 3.25Å; L230-V233 PolarHBondContact O-N 3.2Å; L230-L234 WeakPolarHBondContact O-CG 3.29Å; L230-L234 PolarHBondContact O-N 3.45Å; L230-L234 VanDerWaalsContact O-N 3.15Å; L230-L267 HydrophobicContact CB-CD2 4.25Å; L230-L267 HydrophobicContact CD1-CD2 4.16Å; L230-L267 HydrophobicContact CD2-CD2 4.19Å; L230-L267 HydrophobicContact CG-CD2 4.42Å; L230-L272 HydrophobicContact CB-CD1 4.29Å; L230-L272 HydrophobicContact CD1-CD1 4.48Å |
| 231 | A | 90.9 | Very high | 91.9 | Very high | 53 Ų | 53 | 33.5 Ų | 33.5 | 44% | 0.438 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.9 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R229 V233 L234 D235 | R229-A231 PolarHBondContact O-N 2.96Å; A231-V233 VanDerWaalsContact C-N 3.33Å; A231-V233 PolarHBondContact O-N 3.3Å; A231-L234 WeakPolarHBondContact O-CB 3.46Å; A231-L234 PolarHBondContact O-N 2.91Å; A231-L234 VanDerWaalsContact O-N 3.11Å; A231-D235 PolarHBondContact O-N 2.97Å |
| 232 | E | 92.6 | Very high | 91 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67 | -33.7 | 179.1 | -65.9 | 173.9 | -118.2 | 0 | 0 | 112.5 | L224 R229 L230 L234 D235 V236 | L224-E232 HydrophobicContact CD1-CB 3.95Å; R229-E232 IonicContact CZ-OE1 3.72Å; R229-E232 IonicContact CZ-OE2 3.87Å; R229-E232 IonicContact NE-OE1 2.74Å; R229-E232 PolarHBondContact NE-OE1 3.09Å; R229-E232 IonicContact NE-OE2 3.62Å; R229-E232 PolarHBondContact NE-OE2 3.48Å; R229-E232 IonicContact NH2-OE1 2.79Å; R229-E232 PolarHBondContact NH2-OE1 2.83Å; R229-E232 IonicContact NH2-OE2 2.72Å; R229-E232 PolarHBondContact NH2-OE2 3.49Å; R229-E232 PolarHBondContact O-N 3.14Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 3.47Å; E232-L234 VanDerWaalsContact C-N 3.3Å; E232-L234 PolarHBondContact O-N 3.44Å; E232-D235 PolarHBondContact O-N 2.88Å; E232-V236 VanDerWaalsContact O-CG2 3.32Å; E232-V236 WeakPolarHBondContact O-CG2 3.41Å; E232-V236 PolarHBondContact O-N 3.18Å |
| 233 | V | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 171.8 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | C221 L224 R229 L230 A231 D235 V236 L237 V263 | C221-V233 HydrophobicContact CB-CG1 4.26Å; L224-V233 HydrophobicContact CB-CG2 3.38Å; L224-V233 HydrophobicContact CD1-CG2 4.2Å; L224-V233 HydrophobicContact CG-CG2 4.47Å; R229-V233 PolarHBondContact O-N 2.87Å; L230-V233 WeakPolarHBondContact O-CB 3.25Å; L230-V233 PolarHBondContact O-N 3.2Å; A231-V233 VanDerWaalsContact C-N 3.33Å; A231-V233 PolarHBondContact O-N 3.3Å; V233-D235 VanDerWaalsContact C-N 3.33Å; V233-V236 PolarHBondContact O-N 2.97Å; V233-L237 HydrophobicContact CG1-CD1 3.95Å; V233-L237 HydrophobicContact CG1-CG 4.39Å; V233-L237 VanDerWaalsContact O-CG 3.28Å; V233-L237 WeakPolarHBondContact O-CG 3.44Å; V233-L237 PolarHBondContact O-N 2.97Å; V233-V263 HydrophobicContact CG1-CB 4.36Å; V233-V263 HydrophobicContact CG1-CG1 3.67Å; V233-V263 HydrophobicContact CG1-CG2 3.74Å |
| 234 | L | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 178.7 | -60.5 | 179.9 | 0 | 0 | 0 | 111.1 | L230 A231 E232 L237 E238 L272 R275 F276 I279 | L230-L234 WeakPolarHBondContact O-CG 3.29Å; L230-L234 PolarHBondContact O-N 3.45Å; L230-L234 VanDerWaalsContact O-N 3.15Å; A231-L234 WeakPolarHBondContact O-CB 3.46Å; A231-L234 PolarHBondContact O-N 2.91Å; A231-L234 VanDerWaalsContact O-N 3.11Å; E232-L234 VanDerWaalsContact C-N 3.3Å; E232-L234 PolarHBondContact O-N 3.44Å; L234-L237 PolarHBondContact O-N 2.73Å; L234-E238 WeakPolarHBondContact O-CB 3.36Å; L234-E238 PolarHBondContact O-N 2.92Å; L234-L272 HydrophobicContact CD1-CB 4.37Å; L234-L272 HydrophobicContact CD1-CD2 3.74Å; L234-R275 HydrophobicContact CD1-CB 4.15Å; L234-R275 HydrophobicContact CD1-CG 4.05Å; L234-F276 HydrophobicContact CD2-CB 3.78Å; L234-F276 HydrophobicContact CD2-CD2 3.9Å; L234-F276 HydrophobicContact CD2-CG 4.35Å; L234-I279 HydrophobicContact CB-CD1 4.13Å; L234-I279 HydrophobicContact CD2-CD1 4.2Å |
| 235 | D | 91.5 | Very high | 84.9 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 177.9 | -61.9 | -23.9 | 0 | 0 | 0 | 111.6 | A231 E232 V233 L237 E238 Q239 R275 | A231-D235 PolarHBondContact O-N 2.97Å; E232-D235 PolarHBondContact O-N 2.88Å; V233-D235 VanDerWaalsContact C-N 3.33Å; D235-L237 VanDerWaalsContact C-N 3.34Å; D235-L237 PolarHBondContact O-N 3.36Å; D235-E238 PolarHBondContact O-N 2.84Å; D235-Q239 VanDerWaalsContact O-CG 3.31Å; D235-Q239 WeakPolarHBondContact O-CG 3.49Å; D235-Q239 PolarHBondContact O-N 2.99Å; D235-Q239 VanDerWaalsContact O-N 3.07Å; D235-R275 IonicContact OD1-CZ 3.56Å; D235-R275 IonicContact OD1-NH1 3.6Å; D235-R275 IonicContact OD1-NH2 2.71Å; D235-R275 PolarHBondContact OD1-NH2 2.94Å |
| 236 | V | 90.2 | Very high | 82.9 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | E211 R217 Y220 E232 V233 | E211-V236 HydrophobicContact CB-CG1 4.15Å; R217-V236 HydrophobicContact CG-CG1 3.8Å; Y220-V236 HydrophobicContact CD1-CG2 4.17Å; Y220-V236 HydrophobicContact CE1-CG2 4.04Å; E232-V236 VanDerWaalsContact O-CG2 3.32Å; E232-V236 WeakPolarHBondContact O-CG2 3.41Å; E232-V236 PolarHBondContact O-N 3.18Å; V233-V236 PolarHBondContact O-N 2.97Å |
| 237 | L | 91.5 | Very high | 81 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.8 | -35.5 | 178.2 | -68.3 | 175.3 | 0 | 0 | 0 | 112.3 | V233 L234 D235 L240 V255 L260 F276 I279 L283 | V233-L237 HydrophobicContact CG1-CD1 3.95Å; V233-L237 HydrophobicContact CG1-CG 4.39Å; V233-L237 VanDerWaalsContact O-CG 3.28Å; V233-L237 WeakPolarHBondContact O-CG 3.44Å; V233-L237 PolarHBondContact O-N 2.97Å; L234-L237 PolarHBondContact O-N 2.73Å; D235-L237 VanDerWaalsContact C-N 3.34Å; D235-L237 PolarHBondContact O-N 3.36Å; L237-L240 HydrophobicContact CD2-CD1 4.4Å; L237-L240 VanDerWaalsContact O-CB 3.31Å; L237-L240 WeakPolarHBondContact O-CB 3.32Å; L237-L240 PolarHBondContact O-N 3.35Å; L237-V255 HydrophobicContact CD2-CB 4.45Å; L237-V255 HydrophobicContact CD2-CG1 4.25Å; L237-V255 HydrophobicContact CD2-CG2 4.12Å; L237-L260 HydrophobicContact CD1-CD2 3.88Å; L237-L260 HydrophobicContact CD2-CD2 3.89Å; L237-F276 HydrophobicContact CD1-CD2 4.2Å; L237-F276 HydrophobicContact CD1-CE2 3.94Å; L237-I279 HydrophobicContact CB-CG2 3.79Å; L237-L283 HydrophobicContact CD2-CD1 4.37Å |
| 238 | E | 89.3 | Confident | 79.1 | Confident | 77 Ų | 77 | 54 Ų | 54 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67 | -37.4 | 178.8 | -174.4 | 166.3 | -171.4 | 0 | 0 | 111.5 | L234 D235 L240 T241 V242 R275 I279 | L234-E238 WeakPolarHBondContact O-CB 3.36Å; L234-E238 PolarHBondContact O-N 2.92Å; D235-E238 PolarHBondContact O-N 2.84Å; E238-L240 PolarHBondContact O-N 3.2Å; E238-T241 WeakPolarHBondContact O-CB 3.47Å; E238-T241 PolarHBondContact O-N 3.33Å; E238-T241 PolarHBondContact O-OG1 3.42Å; E238-V242 PolarHBondContact O-N 3.1Å; E238-R275 IonicContact OE2-CZ 2.95Å; E238-R275 IonicContact OE2-NE 2.78Å; E238-R275 IonicContact OE2-NH2 2.95Å; E238-R275 PolarHBondContact OE2-NH2 2.9Å; E238-I279 HydrophobicContact CB-CD1 4.1Å |
| 239 | Q | 86.5 | Confident | 77.5 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.8 | 173.5 | -73.4 | 174 | 17.7 | 0 | 0 | 113.5 | D235 T241 F248 | D235-Q239 VanDerWaalsContact O-CG 3.31Å; D235-Q239 WeakPolarHBondContact O-CG 3.49Å; D235-Q239 PolarHBondContact O-N 2.99Å; D235-Q239 VanDerWaalsContact O-N 3.07Å; Q239-T241 VanDerWaalsContact C-N 3.33Å; Q239-F248 HydrophobicContact CB-CE2 4.26Å |
| 240 | L | 84.6 | Confident | 75.8 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -24.9 | 175 | -64 | 178.6 | 0 | 0 | 0 | 113.5 | L237 E238 F248 R253 V255 L283 | L237-L240 HydrophobicContact CD2-CD1 4.4Å; L237-L240 VanDerWaalsContact O-CB 3.31Å; L237-L240 WeakPolarHBondContact O-CB 3.32Å; L237-L240 PolarHBondContact O-N 3.35Å; E238-L240 PolarHBondContact O-N 3.2Å; L240-F248 HydrophobicContact CD2-CD2 3.98Å; L240-F248 HydrophobicContact CD2-CE2 3.95Å; L240-R253 HydrophobicContact CD2-CB 4.26Å; L240-V255 HydrophobicContact CD1-CB 4.17Å; L240-V255 HydrophobicContact CD1-CG1 4.24Å; L240-L283 HydrophobicContact CB-CD2 3.59Å; L240-L283 HydrophobicContact CD1-CD2 4.09Å |
| 241 | T | 81.3 | Confident | 74.3 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -24 | -178.8 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | E238 Q239 T243 I279 L282 L283 | E238-T241 WeakPolarHBondContact O-CB 3.47Å; E238-T241 PolarHBondContact O-N 3.33Å; E238-T241 PolarHBondContact O-OG1 3.42Å; Q239-T241 VanDerWaalsContact C-N 3.33Å; T241-T243 PolarHBondContact O-N 3.17Å; T241-I279 HydrophobicContact CG2-CG2 4.24Å; T241-L282 HydrophobicContact CG2-CB 3.79Å; T241-L282 HydrophobicContact CG2-CD1 4.28Å; T241-L283 HydrophobicContact CG2-CD2 3.8Å; T241-L283 HydrophobicContact CG2-CG 4.15Å |
| 242 | V | 76.3 | Confident | 73.3 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -69.2 | 102.2 | 180 | -176 | 0 | 0 | 0 | 0 | 109.6 | E238 S244 R253 | E238-V242 PolarHBondContact O-N 3.1Å; V242-S244 VanDerWaalsContact C-N 3.28Å; V242-S244 PolarHBondContact O-N 3.07Å; V242-R253 PolarHBondContact O-NH1 3.22Å | ||
| 243 | T | 60 | Low | 72.6 | Confident | 114 Ų | 114 | 66.4 Ų | 66.4 | 70% | 0.699 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -30.3 | -175 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | T241 R253 | T241-T243 PolarHBondContact O-N 3.17Å; T243-R253 PolarHBondContact O-NH1 3.37Å; T243-R253 VanDerWaalsContact O-NH1 3.16Å |
| 244 | S | 48.7 | Very low | 72.3 | Confident | 119 Ų | 119 | 70 Ų | 70 | 83% | 0.832 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 10.7 | -162.7 | -49.5 | 0 | 0 | 0 | 0 | 117 | V242 | V242-S244 VanDerWaalsContact C-N 3.28Å; V242-S244 PolarHBondContact O-N 3.07Å |
| 245 | G | 51.6 | Low | 72.1 | Confident | 18 Ų | 18 | 70 Ų | 70 | 19% | 0.186 | 38% | 0.382 | C | S | . | . | trans | -105.6 | 145 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V247 R253 | G245-V247 PolarHBondContact O-N 2.95Å; G245-R253 PolarHBondContact O-NH2 2.97Å | ||
| 246 | P | 52.4 | Low | 72.1 | Confident | 136 Ų | 136 | 66.6 Ų | 66.6 | 88% | 0.883 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 8.8 | 169.2 | 30.5 | -35 | 0 | 0 | 0 | 113.5 | F248 | P246-F248 VanDerWaalsContact C-N 3.3Å; P246-F248 PolarHBondContact O-N 3.46Å |
| 247 | V | 54.8 | Low | 72.2 | Confident | 90 Ų | 90 | 68.7 Ų | 68.7 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -37.4 | -166.7 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | G245 | G245-V247 PolarHBondContact O-N 2.95Š|
| 248 | F | 54 | Low | 72.2 | Confident | 8 Ų | 8 | 71.6 Ų | 71.6 | 4% | 0.035 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -137.7 | 137.4 | 176 | -54.2 | -62.9 | 0 | 0 | 0 | 111.1 | E211 Q239 L240 P246 I250 R253 | E211-F248 HydrophobicContact CG-CZ 4.36Å; E211-F248 VanDerWaalsContact O-CE1 3.28Å; E211-F248 WeakPolarHBondContact O-CE1 3.47Å; Q239-F248 HydrophobicContact CB-CE2 4.26Å; L240-F248 HydrophobicContact CD2-CD2 3.98Å; L240-F248 HydrophobicContact CD2-CE2 3.95Å; P246-F248 VanDerWaalsContact C-N 3.3Å; P246-F248 PolarHBondContact O-N 3.46Å; F248-I250 PolarHBondContact O-N 2.92Å; F248-R253 HydrophobicContact CB-CG 3.54Å; F248-R253 HydrophobicContact CD2-CG 4.26Å; F248-R253 HydrophobicContact CG-CG 4.31Å; F248-R253 PolarHBondContact O-NE 3.2Å; F248-R253 PolarHBondContact O-NH2 3.25Å |
| 249 | P | 59.3 | Low | 72.3 | Confident | 83 Ų | 83 | 67.9 Ų | 67.9 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | trans | -52 | 138.3 | 161.2 | -20.5 | 31.1 | 0 | 0 | 0 | 109.5 | R251 D252 R253 | P249-R251 PolarHBondContact O-N 3.24Å; P249-D252 PolarHBondContact O-N 3.06Å; P249-R253 PolarHBondContact O-N 2.95Å | ||
| 250 | I | 58.2 | Low | 72.6 | Confident | 144 Ų | 144 | 64.5 Ų | 64.5 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -51.5 | -36.1 | -175.9 | -61.7 | 170.1 | 0 | 0 | 0 | 111.9 | F248 D252 R253 | F248-I250 PolarHBondContact O-N 2.92Å; I250-D252 VanDerWaalsContact C-N 3.26Å; I250-D252 PolarHBondContact O-N 2.97Å; I250-R253 PolarHBondContact O-N 3.29Å |
| 251 | R | 60.4 | Low | 72.9 | Confident | 219 Ų | 219 | 67.7 Ų | 67.7 | 83% | 0.826 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -65.5 | -25.8 | 178.9 | -68.1 | -175 | 174.9 | -170.6 | -1.3 | 114 | P249 | P249-R251 PolarHBondContact O-N 3.24Š|
| 252 | D | 70.3 | Confident | 73.4 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -101.3 | 1.9 | -174.7 | -63.2 | -36.4 | 0 | 0 | 0 | 112.9 | V214 R217 P249 I250 K254 | V214-D252 WeakPolarHBondContact CG2-O 3.43Å; R217-D252 PolarHBondContact NH1-O 3.29Å; R217-D252 PolarHBondContact NH2-O 2.97Å; P249-D252 PolarHBondContact O-N 3.06Å; I250-D252 VanDerWaalsContact C-N 3.26Å; I250-D252 PolarHBondContact O-N 2.97Å; D252-K254 PolarHBondContact O-N 3.29Å |
| 253 | R | 77.7 | Confident | 74.1 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | trans | -77.1 | 39.9 | 174.1 | -67.3 | -176.9 | -170.8 | -168.5 | 0.6 | 112.9 | L240 V242 T243 G245 F248 P249 I250 C288 | L240-R253 HydrophobicContact CD2-CB 4.26Å; V242-R253 PolarHBondContact O-NH1 3.22Å; T243-R253 PolarHBondContact O-NH1 3.37Å; T243-R253 VanDerWaalsContact O-NH1 3.16Å; G245-R253 PolarHBondContact O-NH2 2.97Å; F248-R253 HydrophobicContact CB-CG 3.54Å; F248-R253 HydrophobicContact CD2-CG 4.26Å; F248-R253 HydrophobicContact CG-CG 4.31Å; F248-R253 PolarHBondContact O-NE 3.2Å; F248-R253 PolarHBondContact O-NH2 3.25Å; P249-R253 PolarHBondContact O-N 2.95Å; I250-R253 PolarHBondContact O-N 3.29Å; R253-C288 WeakPolarHBondContact O-CA 3.35Å; R253-C288 WeakPolarHBondContact O-CB 3.38Å; R253-C288 PolarHBondContact O-SG 3.43Å; R253-C288 VanDerWaalsContact O-SG 3.38Å | ||
| 254 | K | 87.1 | Confident | 75.7 | Confident | 76 Ų | 76 | 64.4 Ų | 64.4 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | trans | -113.7 | 153.6 | -178.7 | -60.4 | -171 | -179.9 | -173.6 | 0 | 112.7 | V214 R217 D252 C288 L290 | V214-K254 HydrophobicContact CG1-CB 4Å; V214-K254 HydrophobicContact CG2-CB 3.91Å; R217-K254 PolarHBondContact NH1-O 3.42Å; D252-K254 PolarHBondContact O-N 3.29Å; K254-C288 CarbonylContact C-O 3.37Å; K254-C288 WeakPolarHBondContact CA-O 3.43Å; K254-L290 HydrophobicContact CB-CB 4.5Å; K254-L290 HydrophobicContact CD-CD1 3.79Å | ||
| 255 | V | 88.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 143 | 171.2 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | L237 L240 A259 L260 L283 C288 L290 | L237-V255 HydrophobicContact CD2-CB 4.45Å; L237-V255 HydrophobicContact CD2-CG1 4.25Å; L237-V255 HydrophobicContact CD2-CG2 4.12Å; L240-V255 HydrophobicContact CD1-CB 4.17Å; L240-V255 HydrophobicContact CD1-CG1 4.24Å; V255-A259 HydrophobicContact CG2-CB 4.25Å; V255-L260 HydrophobicContact CG1-CD1 3.99Å; V255-L260 HydrophobicContact CG1-CD2 4.12Å; V255-L260 HydrophobicContact CG1-CG 4.09Å; V255-L283 HydrophobicContact CG1-CD1 4.23Å; V255-C288 PolarHBondContact N-O 3.03Å; V255-L290 PolarHBondContact O-N 2.8Å |
| 256 | A | 91.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 143.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | S218 E258 A259 L260 L290 I294 L297 | S218-A256 PolarHBondContact OG-N 2.94Å; A256-E258 PolarHBondContact O-N 3.45Å; A256-A259 HydrophobicContact CB-CB 4.5Å; A256-A259 PolarHBondContact O-N 2.83Å; A256-L260 PolarHBondContact O-N 3.09Å; A256-L290 WeakPolarHBondContact CA-O 3.44Å; A256-I294 HydrophobicContact CB-CD1 4.19Å; A256-L297 HydrophobicContact CB-CD2 4.14Å |
| 257 | T | 92.4 | Very high | 81.2 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 34% | 0.344 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58 | -37.7 | 173.3 | 41.2 | 0 | 0 | 0 | 0 | 112.5 | A259 L260 S261 I289 L290 C292 | T257-A259 PolarHBondContact O-N 3.35Å; T257-L260 PolarHBondContact O-N 2.95Å; T257-S261 PolarHBondContact O-N 3.24Å; T257-S261 PolarHBondContact O-OG 3.4Å; T257-I289 HydrophobicContact CG2-CG2 3.3Å; T257-L290 PolarHBondContact N-O 3.06Å; T257-L290 PolarHBondContact OG1-O 3.42Å; T257-C292 PolarHBondContact OG1-N 3.06Å; T257-C292 PolarHBondContact OG1-O 3.02Å |
| 258 | E | 91.5 | Very high | 82.7 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 29% | 0.285 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | -179.8 | -173.3 | 176.9 | 160.2 | 0 | 0 | 112.1 | A256 L260 S261 E262 T293 I294 | A256-E258 PolarHBondContact O-N 3.45Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-L260 PolarHBondContact O-N 3.38Å; E258-S261 VanDerWaalsContact CA-OG 3.29Å; E258-S261 WeakPolarHBondContact CA-OG 3.48Å; E258-S261 PolarHBondContact O-N 3.36Å; E258-S261 PolarHBondContact O-OG 2.9Å; E258-E262 PolarHBondContact O-N 3.42Å; E258-T293 WeakPolarHBondContact OE2-CA 3.48Å; E258-T293 WeakPolarHBondContact OE2-CB 3.24Å; E258-I294 HydrophobicContact CB-CG1 4.25Å; E258-I294 HydrophobicContact CG-CG1 4.16Å; E258-I294 PolarHBondContact OE2-N 3.34Å |
| 259 | A | 91.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S218 I222 V255 A256 T257 E262 V263 | S218-A259 WeakPolarHBondContact O-CB 3.39Å; I222-A259 HydrophobicContact CD1-CB 3.95Å; I222-A259 HydrophobicContact CG1-CB 3.8Å; V255-A259 HydrophobicContact CG2-CB 4.25Å; A256-A259 HydrophobicContact CB-CB 4.5Å; A256-A259 PolarHBondContact O-N 2.83Å; T257-A259 PolarHBondContact O-N 3.35Å; A259-E262 PolarHBondContact O-N 3.46Å; A259-V263 VanDerWaalsContact O-CG2 3.24Å; A259-V263 WeakPolarHBondContact O-CG2 3.34Å; A259-V263 PolarHBondContact O-N 3.32Å |
| 260 | L | 92.5 | Very high | 85.5 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 175.8 | -64.9 | 177.9 | 0 | 0 | 0 | 112 | L237 V255 A256 T257 E258 K264 F276 V280 I289 | L237-L260 HydrophobicContact CD1-CD2 3.88Å; L237-L260 HydrophobicContact CD2-CD2 3.89Å; V255-L260 HydrophobicContact CG1-CD1 3.99Å; V255-L260 HydrophobicContact CG1-CD2 4.12Å; V255-L260 HydrophobicContact CG1-CG 4.09Å; A256-L260 PolarHBondContact O-N 3.09Å; T257-L260 PolarHBondContact O-N 2.95Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-L260 PolarHBondContact O-N 3.38Å; L260-K264 WeakPolarHBondContact O-CB 3.12Å; L260-K264 PolarHBondContact O-N 3.16Å; L260-F276 HydrophobicContact CB-CZ 4.31Å; L260-F276 HydrophobicContact CD2-CE2 4.11Å; L260-F276 HydrophobicContact CD2-CZ 4.27Å; L260-F276 WeakPolarHBondContact O-CZ 3.34Å; L260-V280 HydrophobicContact CD2-CG2 4.37Å; L260-I289 HydrophobicContact CD1-CD1 3.8Å; L260-I289 HydrophobicContact CD1-CG1 3.96Å; L260-I289 HydrophobicContact CD1-CG2 4.32Å |
| 261 | S | 92.3 | Very high | 87 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 177.1 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | T257 E258 K264 A265 | T257-S261 PolarHBondContact O-N 3.24Å; T257-S261 PolarHBondContact O-OG 3.4Å; E258-S261 VanDerWaalsContact CA-OG 3.29Å; E258-S261 WeakPolarHBondContact CA-OG 3.48Å; E258-S261 PolarHBondContact O-N 3.36Å; E258-S261 PolarHBondContact O-OG 2.9Å; S261-K264 PolarHBondContact O-N 3.48Å; S261-A265 PolarHBondContact O-N 3.45Å |
| 262 | E | 91 | Very high | 88.3 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 175.6 | -78.8 | -138.4 | -168.8 | 0 | 0 | 111.3 | I222 R226 E258 A259 K264 A265 T266 | I222-E262 HydrophobicContact CG1-CB 4.38Å; I222-E262 WeakPolarHBondContact CG2-OE2 3.39Å; R226-E262 IonicContact CZ-OE1 3.71Å; R226-E262 IonicContact CZ-OE2 2.78Å; R226-E262 IonicContact NE-OE2 3.24Å; R226-E262 PolarHBondContact NE-OE2 3.35Å; R226-E262 IonicContact NH2-OE1 3.67Å; R226-E262 PolarHBondContact NH2-OE1 3.4Å; R226-E262 IonicContact NH2-OE2 2.75Å; R226-E262 PolarHBondContact NH2-OE2 2.89Å; E258-E262 PolarHBondContact O-N 3.42Å; A259-E262 PolarHBondContact O-N 3.46Å; E262-K264 VanDerWaalsContact C-N 3.3Å; E262-K264 PolarHBondContact O-N 3.06Å; E262-A265 WeakPolarHBondContact O-CB 3.5Å; E262-A265 PolarHBondContact O-N 3.23Å; E262-A265 VanDerWaalsContact O-N 3.13Å; E262-T266 PolarHBondContact O-N 2.92Å |
| 263 | V | 91.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | C221 V233 A259 A265 T266 L267 F276 | C221-V263 HydrophobicContact CB-CG2 4.33Å; V233-V263 HydrophobicContact CG1-CB 4.36Å; V233-V263 HydrophobicContact CG1-CG1 3.67Å; V233-V263 HydrophobicContact CG1-CG2 3.74Å; A259-V263 VanDerWaalsContact O-CG2 3.24Å; A259-V263 WeakPolarHBondContact O-CG2 3.34Å; A259-V263 PolarHBondContact O-N 3.32Å; V263-A265 VanDerWaalsContact C-N 3.26Å; V263-A265 PolarHBondContact O-N 2.68Å; V263-T266 PolarHBondContact O-N 2.96Å; V263-T266 VanDerWaalsContact O-N 3.15Å; V263-T266 PolarHBondContact O-OG1 3.21Å; V263-L267 HydrophobicContact CG1-CD1 4.16Å; V263-L267 HydrophobicContact CG1-CG 4.36Å; V263-L267 WeakPolarHBondContact O-CG 3.23Å; V263-L267 PolarHBondContact O-N 3.48Å; V263-L267 VanDerWaalsContact O-N 3.16Å; V263-F276 HydrophobicContact CB-CE2 4.28Å; V263-F276 HydrophobicContact CG1-CD2 4.09Å; V263-F276 HydrophobicContact CG1-CE2 3.73Å; V263-F276 HydrophobicContact CG1-CZ 4.45Å |
| 264 | K | 91.8 | Very high | 89.9 | Confident | 107 Ų | 107 | 57.9 Ų | 57.9 | 47% | 0.465 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 176.6 | -169.4 | 178 | -179.5 | 179.5 | 0 | 112.3 | L260 S261 E262 T266 L267 F276 | L260-K264 WeakPolarHBondContact O-CB 3.12Å; L260-K264 PolarHBondContact O-N 3.16Å; S261-K264 PolarHBondContact O-N 3.48Å; E262-K264 VanDerWaalsContact C-N 3.3Å; E262-K264 PolarHBondContact O-N 3.06Å; K264-T266 VanDerWaalsContact C-N 3.28Å; K264-T266 PolarHBondContact O-N 3.45Å; K264-L267 PolarHBondContact O-N 3.39Å; K264-F276 HydrophobicContact CB-CE1 3.75Å; K264-F276 HydrophobicContact CB-CZ 4.08Å; K264-F276 HydrophobicContact CD-CE1 4.26Å; K264-F276 HydrophobicContact CG-CE1 3.97Å |
| 265 | A | 90.8 | Very high | 90.1 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 74% | 0.736 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.2 | -23.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S261 E262 V263 | S261-A265 PolarHBondContact O-N 3.45Å; E262-A265 WeakPolarHBondContact O-CB 3.5Å; E262-A265 PolarHBondContact O-N 3.23Å; E262-A265 VanDerWaalsContact O-N 3.13Å; V263-A265 VanDerWaalsContact C-N 3.26Å; V263-A265 PolarHBondContact O-N 2.68Å |
| 266 | T | 89.7 | Confident | 90.4 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -94.8 | -10.2 | 178.5 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | E262 V263 K264 | E262-T266 PolarHBondContact O-N 2.92Å; V263-T266 PolarHBondContact O-N 2.96Å; V263-T266 VanDerWaalsContact O-N 3.15Å; V263-T266 PolarHBondContact O-OG1 3.21Å; K264-T266 VanDerWaalsContact C-N 3.28Å; K264-T266 PolarHBondContact O-N 3.45Å |
| 267 | L | 89.1 | Confident | 90.4 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 129.5 | 179.9 | -78.1 | 167.6 | 0 | 0 | 0 | 111.8 | L230 V263 K264 L272 F276 | L230-L267 HydrophobicContact CB-CD2 4.25Å; L230-L267 HydrophobicContact CD1-CD2 4.16Å; L230-L267 HydrophobicContact CD2-CD2 4.19Å; L230-L267 HydrophobicContact CG-CD2 4.42Å; V263-L267 HydrophobicContact CG1-CD1 4.16Å; V263-L267 HydrophobicContact CG1-CG 4.36Å; V263-L267 WeakPolarHBondContact O-CG 3.23Å; V263-L267 PolarHBondContact O-N 3.48Å; V263-L267 VanDerWaalsContact O-N 3.16Å; K264-L267 PolarHBondContact O-N 3.39Å; L267-L272 HydrophobicContact CD2-CB 3.92Å; L267-F276 HydrophobicContact CD1-CB 3.42Å; L267-F276 VanDerWaalsContact CD1-CB 3.42Å; L267-F276 HydrophobicContact CD1-CD1 3.67Å; L267-F276 HydrophobicContact CD1-CD2 3.7Å; L267-F276 HydrophobicContact CD1-CE1 4.32Å; L267-F276 HydrophobicContact CD1-CE2 4.35Å; L267-F276 HydrophobicContact CD1-CG 3.3Å |
| 268 | P | 86.7 | Confident | 90.4 | Very high | 73 Ų | 73 | 65 Ų | 65 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 148 | 170.9 | 31 | -34 | 0 | 0 | 0 | 110.8 | G270 L272 | P268-G270 PolarHBondContact O-N 2.75Å; P268-L272 HydrophobicContact CG-CD1 4.47Å |
| 269 | S | 84.3 | Confident | 90.4 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 78% | 0.776 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 122.3 | 173.3 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | E273 | S269-E273 WeakPolarHBondContact CA-OE2 3.48Å; S269-E273 PolarHBondContact OG-OE2 3.24Å |
| 270 | G | 86.9 | Confident | 90.4 | Very high | 36 Ų | 36 | 63.2 Ų | 63.2 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 154.4 | -150.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P268 L272 E273 N274 | P268-G270 PolarHBondContact O-N 2.75Å; G270-L272 PolarHBondContact O-N 2.69Å; G270-E273 PolarHBondContact O-N 3.47Å; G270-N274 PolarHBondContact O-N 3.3Å; G270-N274 PolarHBondContact O-ND2 3.5Å |
| 271 | E | 88.7 | Confident | 90.3 | Very high | 168 Ų | 168 | 65 Ų | 65 | 79% | 0.785 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | -175.8 | -172.5 | 177.9 | 177.4 | 0 | 0 | 112.9 | E273 N274 R275 | E271-E273 PolarHBondContact O-N 2.95Å; E271-N274 PolarHBondContact O-N 3.08Å; E271-R275 PolarHBondContact O-N 3.12Å |
| 272 | L | 88.5 | Confident | 90.2 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 29% | 0.293 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 179.2 | -63.3 | 178 | 0 | 0 | 0 | 112.1 | L230 L234 L267 P268 G270 R275 F276 | L230-L272 HydrophobicContact CB-CD1 4.29Å; L230-L272 HydrophobicContact CD1-CD1 4.48Å; L234-L272 HydrophobicContact CD1-CB 4.37Å; L234-L272 HydrophobicContact CD1-CD2 3.74Å; L267-L272 HydrophobicContact CD2-CB 3.92Å; P268-L272 HydrophobicContact CG-CD1 4.47Å; G270-L272 PolarHBondContact O-N 2.69Å; L272-R275 PolarHBondContact O-N 2.89Å; L272-F276 VanDerWaalsContact O-CB 3.32Å; L272-F276 WeakPolarHBondContact O-CB 3.18Å; L272-F276 PolarHBondContact O-N 3.43Å |
| 273 | E | 91 | Very high | 90.1 | Very high | 53 Ų | 53 | 62 Ų | 62 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 175.4 | -171.3 | -177.5 | -179 | 0 | 0 | 111.2 | S269 G270 E271 F276 N277 | S269-E273 WeakPolarHBondContact CA-OE2 3.48Å; S269-E273 PolarHBondContact OG-OE2 3.24Å; G270-E273 PolarHBondContact O-N 3.47Å; E271-E273 PolarHBondContact O-N 2.95Å; E273-F276 PolarHBondContact O-N 2.98Å; E273-N277 WeakPolarHBondContact O-CB 3.31Å; E273-N277 VanDerWaalsContact O-CG 3.25Å; E273-N277 PolarHBondContact O-N 3.07Å; E273-N277 PolarHBondContact O-ND2 3.48Å; E273-N277 VanDerWaalsContact O-ND2 3.15Å |
| 274 | N | 91.6 | Very high | 89.9 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 59% | 0.594 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 176.3 | -69.9 | -28.7 | 0 | 0 | 0 | 111.8 | G270 E271 F276 N277 M278 | G270-N274 PolarHBondContact O-N 3.3Å; G270-N274 PolarHBondContact O-ND2 3.5Å; E271-N274 PolarHBondContact O-N 3.08Å; N274-F276 VanDerWaalsContact C-N 3.35Å; N274-F276 PolarHBondContact O-N 3.42Å; N274-N277 PolarHBondContact O-N 3.38Å; N274-M278 PolarHBondContact O-N 3.32Å |
| 275 | R | 91.4 | Very high | 89.7 | Confident | 87 Ų | 87 | 71 Ų | 71 | 33% | 0.328 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 175.9 | -174.4 | 171.6 | 171.3 | -152.8 | -6.6 | 111 | L234 D235 E238 E271 L272 M278 I279 | L234-R275 HydrophobicContact CD1-CB 4.15Å; L234-R275 HydrophobicContact CD1-CG 4.05Å; D235-R275 IonicContact OD1-CZ 3.56Å; D235-R275 IonicContact OD1-NH1 3.6Å; D235-R275 IonicContact OD1-NH2 2.71Å; D235-R275 PolarHBondContact OD1-NH2 2.94Å; E238-R275 IonicContact OE2-CZ 2.95Å; E238-R275 IonicContact OE2-NE 2.78Å; E238-R275 IonicContact OE2-NH2 2.95Å; E238-R275 PolarHBondContact OE2-NH2 2.9Å; E271-R275 PolarHBondContact O-N 3.12Å; L272-R275 PolarHBondContact O-N 2.89Å; R275-M278 PolarHBondContact O-N 3.42Å; R275-I279 HydrophobicContact CG-CD1 4.03Å; R275-I279 WeakPolarHBondContact O-CG1 3.49Å; R275-I279 PolarHBondContact O-N 3.26Å |
| 276 | F | 93.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 69 Ų | 69 | 2% | 0.022 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 174.6 | 178.6 | -101.1 | 0 | 0 | 0 | 112.5 | L234 L237 L260 V263 K264 L267 L272 E273 N274 M278 I279 V280 | L234-F276 HydrophobicContact CD2-CB 3.78Å; L234-F276 HydrophobicContact CD2-CD2 3.9Å; L234-F276 HydrophobicContact CD2-CG 4.35Å; L237-F276 HydrophobicContact CD1-CD2 4.2Å; L237-F276 HydrophobicContact CD1-CE2 3.94Å; L260-F276 HydrophobicContact CB-CZ 4.31Å; L260-F276 HydrophobicContact CD2-CE2 4.11Å; L260-F276 HydrophobicContact CD2-CZ 4.27Å; L260-F276 WeakPolarHBondContact O-CZ 3.34Å; V263-F276 HydrophobicContact CB-CE2 4.28Å; V263-F276 HydrophobicContact CG1-CD2 4.09Å; V263-F276 HydrophobicContact CG1-CE2 3.73Å; V263-F276 HydrophobicContact CG1-CZ 4.45Å; K264-F276 HydrophobicContact CB-CE1 3.75Å; K264-F276 HydrophobicContact CB-CZ 4.08Å; K264-F276 HydrophobicContact CD-CE1 4.26Å; K264-F276 HydrophobicContact CG-CE1 3.97Å; L267-F276 HydrophobicContact CD1-CB 3.42Å; L267-F276 VanDerWaalsContact CD1-CB 3.42Å; L267-F276 HydrophobicContact CD1-CD1 3.67Å; L267-F276 HydrophobicContact CD1-CD2 3.7Å; L267-F276 HydrophobicContact CD1-CE1 4.32Å; L267-F276 HydrophobicContact CD1-CE2 4.35Å; L267-F276 HydrophobicContact CD1-CG 3.3Å; L272-F276 VanDerWaalsContact O-CB 3.32Å; L272-F276 WeakPolarHBondContact O-CB 3.18Å; L272-F276 PolarHBondContact O-N 3.43Å; E273-F276 PolarHBondContact O-N 2.98Å; N274-F276 VanDerWaalsContact C-N 3.35Å; N274-F276 PolarHBondContact O-N 3.42Å; F276-M278 VanDerWaalsContact C-N 3.28Å; F276-M278 PolarHBondContact O-N 3.24Å; F276-I279 PolarHBondContact O-N 3.32Å; F276-V280 HydrophobicContact CD1-CG2 4.03Å; F276-V280 HydrophobicContact CD2-CG2 4.23Å; F276-V280 HydrophobicContact CE1-CG2 3.61Å; F276-V280 HydrophobicContact CE2-CG2 3.84Å; F276-V280 HydrophobicContact CG-CG2 4.33Å; F276-V280 HydrophobicContact CZ-CG2 3.51Å; F276-V280 WeakPolarHBondContact O-CB 3.48Å; F276-V280 WeakPolarHBondContact O-CG2 2.85Å; F276-V280 PolarHBondContact O-N 3.2Å |
| 277 | N | 92.8 | Very high | 89 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 34% | 0.337 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 179.9 | -74.6 | -34.3 | 0 | 0 | 0 | 111.7 | E273 N274 S281 | E273-N277 WeakPolarHBondContact O-CB 3.31Å; E273-N277 VanDerWaalsContact O-CG 3.25Å; E273-N277 PolarHBondContact O-N 3.07Å; E273-N277 PolarHBondContact O-ND2 3.48Å; E273-N277 VanDerWaalsContact O-ND2 3.15Å; N274-N277 PolarHBondContact O-N 3.38Å; N277-S281 PolarHBondContact O-N 3.45Å |
| 278 | M | 92.6 | Very high | 88.8 | Confident | 126 Ų | 126 | 70.6 Ų | 70.6 | 62% | 0.621 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.3 | -50.8 | 173.3 | -175.3 | 177.2 | 178.3 | 0 | 0 | 111.3 | N274 R275 F276 V280 S281 L282 | N274-M278 PolarHBondContact O-N 3.32Å; R275-M278 PolarHBondContact O-N 3.42Å; F276-M278 VanDerWaalsContact C-N 3.28Å; F276-M278 PolarHBondContact O-N 3.24Å; M278-V280 PolarHBondContact O-N 3.38Å; M278-S281 WeakPolarHBondContact O-CB 3.3Å; M278-S281 PolarHBondContact O-N 3.26Å; M278-S281 VanDerWaalsContact O-N 3.12Å; M278-S281 PolarHBondContact O-OG 3.5Å; M278-L282 PolarHBondContact O-N 3Å; M278-L282 VanDerWaalsContact O-N 3.12Å |
| 279 | I | 91.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 177.9 | -67.8 | 164.8 | 0 | 0 | 0 | 110.7 | L234 L237 E238 T241 R275 F276 S281 L282 L283 | L234-I279 HydrophobicContact CB-CD1 4.13Å; L234-I279 HydrophobicContact CD2-CD1 4.2Å; L237-I279 HydrophobicContact CB-CG2 3.79Å; E238-I279 HydrophobicContact CB-CD1 4.1Å; T241-I279 HydrophobicContact CG2-CG2 4.24Å; R275-I279 HydrophobicContact CG-CD1 4.03Å; R275-I279 WeakPolarHBondContact O-CG1 3.49Å; R275-I279 PolarHBondContact O-N 3.26Å; F276-I279 PolarHBondContact O-N 3.32Å; I279-S281 VanDerWaalsContact C-N 3.26Å; I279-S281 PolarHBondContact O-N 3.34Å; I279-L282 WeakPolarHBondContact O-CB 3.05Å; I279-L282 PolarHBondContact O-N 3.46Å; I279-L282 VanDerWaalsContact O-N 3.08Å; I279-L283 HydrophobicContact CG2-CD1 3.92Å; I279-L283 HydrophobicContact CG2-CG 4.16Å; I279-L283 WeakPolarHBondContact O-CG 3.26Å; I279-L283 PolarHBondContact O-N 3.11Å |
| 280 | V | 90.2 | Very high | 88.8 | Confident | 18 Ų | 18 | 66 Ų | 66 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 177.5 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | L260 F276 M278 L283 K284 I289 | L260-V280 HydrophobicContact CD2-CG2 4.37Å; F276-V280 HydrophobicContact CD1-CG2 4.03Å; F276-V280 HydrophobicContact CD2-CG2 4.23Å; F276-V280 HydrophobicContact CE1-CG2 3.61Å; F276-V280 HydrophobicContact CE2-CG2 3.84Å; F276-V280 HydrophobicContact CG-CG2 4.33Å; F276-V280 HydrophobicContact CZ-CG2 3.51Å; F276-V280 WeakPolarHBondContact O-CB 3.48Å; F276-V280 WeakPolarHBondContact O-CG2 2.85Å; F276-V280 PolarHBondContact O-N 3.2Å; M278-V280 PolarHBondContact O-N 3.38Å; V280-L283 PolarHBondContact O-N 3.49Å; V280-K284 HydrophobicContact CG1-CD 4.36Å; V280-K284 WeakPolarHBondContact O-CG 3.33Å; V280-K284 PolarHBondContact O-N 3.47Å; V280-I289 HydrophobicContact CG1-CD1 4.48Å |
| 281 | S | 90.6 | Very high | 88.8 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.2 | 83 | 0 | 0 | 0 | 0 | 112 | N277 M278 I279 K284 Q285 | N277-S281 PolarHBondContact O-N 3.45Å; M278-S281 WeakPolarHBondContact O-CB 3.3Å; M278-S281 PolarHBondContact O-N 3.26Å; M278-S281 VanDerWaalsContact O-N 3.12Å; M278-S281 PolarHBondContact O-OG 3.5Å; I279-S281 VanDerWaalsContact C-N 3.26Å; I279-S281 PolarHBondContact O-N 3.34Å; S281-K284 PolarHBondContact O-N 3.49Å; S281-Q285 WeakPolarHBondContact O-CG 3.14Å; S281-Q285 PolarHBondContact O-N 3.45Å |
| 282 | L | 89.6 | Confident | 88.8 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 176.6 | -65.6 | 173.2 | 0 | 0 | 0 | 111.3 | T241 M278 I279 K284 Q285 G286 | T241-L282 HydrophobicContact CG2-CB 3.79Å; T241-L282 HydrophobicContact CG2-CD1 4.28Å; M278-L282 PolarHBondContact O-N 3Å; M278-L282 VanDerWaalsContact O-N 3.12Å; I279-L282 WeakPolarHBondContact O-CB 3.05Å; I279-L282 PolarHBondContact O-N 3.46Å; I279-L282 VanDerWaalsContact O-N 3.08Å; L282-K284 VanDerWaalsContact C-N 3.31Å; L282-K284 PolarHBondContact O-N 3.04Å; L282-Q285 PolarHBondContact O-N 3.28Å; L282-G286 PolarHBondContact O-N 2.64Å |
| 283 | L | 89.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 176 | -66.3 | 176.1 | 0 | 0 | 0 | 112.2 | L237 L240 T241 V255 I279 V280 G286 S287 C288 I289 | L237-L283 HydrophobicContact CD2-CD1 4.37Å; L240-L283 HydrophobicContact CB-CD2 3.59Å; L240-L283 HydrophobicContact CD1-CD2 4.09Å; T241-L283 HydrophobicContact CG2-CD2 3.8Å; T241-L283 HydrophobicContact CG2-CG 4.15Å; V255-L283 HydrophobicContact CG1-CD1 4.23Å; I279-L283 HydrophobicContact CG2-CD1 3.92Å; I279-L283 HydrophobicContact CG2-CG 4.16Å; I279-L283 WeakPolarHBondContact O-CG 3.26Å; I279-L283 PolarHBondContact O-N 3.11Å; V280-L283 PolarHBondContact O-N 3.49Å; L283-G286 PolarHBondContact O-N 3.22Å; L283-S287 PolarHBondContact O-N 2.7Å; L283-C288 HydrophobicContact CB-CB 4.2Å; L283-C288 HydrophobicContact CD2-CB 3.72Å; L283-C288 PolarHBondContact O-N 3.49Å; L283-I289 HydrophobicContact CB-CD1 4.08Å; L283-I289 HydrophobicContact CB-CG1 3.93Å |
| 284 | K | 88.2 | Confident | 88.8 | Confident | 144 Ų | 144 | 60.8 Ų | 60.8 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 173.3 | -76.6 | 176.9 | -179.6 | -179.7 | 0 | 111.4 | V280 S281 L282 G286 S287 I289 | V280-K284 HydrophobicContact CG1-CD 4.36Å; V280-K284 WeakPolarHBondContact O-CG 3.33Å; V280-K284 PolarHBondContact O-N 3.47Å; S281-K284 PolarHBondContact O-N 3.49Å; L282-K284 VanDerWaalsContact C-N 3.31Å; L282-K284 PolarHBondContact O-N 3.04Å; K284-G286 VanDerWaalsContact C-N 3.29Å; K284-G286 PolarHBondContact O-N 2.9Å; K284-S287 PolarHBondContact O-N 3.32Å; K284-I289 HydrophobicContact CB-CD1 4.47Å; K284-I289 HydrophobicContact CG-CD1 3.5Å |
| 285 | Q | 86.3 | Confident | 88.8 | Confident | 152 Ų | 152 | 58 Ų | 58 | 71% | 0.71 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | 176.5 | -70.6 | 174 | 6.3 | 0 | 0 | 111.7 | S281 L282 S287 | S281-Q285 WeakPolarHBondContact O-CG 3.14Å; S281-Q285 PolarHBondContact O-N 3.45Å; L282-Q285 PolarHBondContact O-N 3.28Å; Q285-S287 VanDerWaalsContact C-N 3.28Å; Q285-S287 PolarHBondContact O-N 3.4Å |
| 286 | G | 83 | Confident | 88.8 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -1.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L282 L283 K284 C288 | L282-G286 PolarHBondContact O-N 2.64Å; L283-G286 PolarHBondContact O-N 3.22Å; K284-G286 VanDerWaalsContact C-N 3.29Å; K284-G286 PolarHBondContact O-N 2.9Å; G286-C288 PolarHBondContact O-N 3.48Å; G286-C288 PolarHBondContact O-SG 2.94Å |
| 287 | S | 82.9 | Confident | 88.5 | Confident | 93 Ų | 93 | 57.7 Ų | 57.7 | 65% | 0.65 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 31.8 | -171 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | L283 K284 Q285 I289 | L283-S287 PolarHBondContact O-N 2.7Å; K284-S287 PolarHBondContact O-N 3.32Å; Q285-S287 VanDerWaalsContact C-N 3.28Å; Q285-S287 PolarHBondContact O-N 3.4Å; S287-I289 VanDerWaalsContact C-N 3.27Å; S287-I289 PolarHBondContact O-N 2.93Å |
| 288 | C | 85.2 | Confident | 88.4 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | trans | -86.4 | 7.4 | -178.4 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | R253 K254 V255 L283 G286 | R253-C288 WeakPolarHBondContact O-CA 3.35Å; R253-C288 WeakPolarHBondContact O-CB 3.38Å; R253-C288 PolarHBondContact O-SG 3.43Å; R253-C288 VanDerWaalsContact O-SG 3.38Å; K254-C288 CarbonylContact C-O 3.37Å; K254-C288 WeakPolarHBondContact CA-O 3.43Å; V255-C288 PolarHBondContact N-O 3.03Å; L283-C288 HydrophobicContact CB-CB 4.2Å; L283-C288 HydrophobicContact CD2-CB 3.72Å; L283-C288 PolarHBondContact O-N 3.49Å; G286-C288 PolarHBondContact O-N 3.48Å; G286-C288 PolarHBondContact O-SG 2.94Å | ||
| 289 | I | 86.1 | Confident | 88.2 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.205 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.8 | -178.5 | -61.6 | 178.6 | 0 | 0 | 0 | 109.1 | T257 L260 V280 L283 K284 S287 | T257-I289 HydrophobicContact CG2-CG2 3.3Å; L260-I289 HydrophobicContact CD1-CD1 3.8Å; L260-I289 HydrophobicContact CD1-CG1 3.96Å; L260-I289 HydrophobicContact CD1-CG2 4.32Å; V280-I289 HydrophobicContact CG1-CD1 4.48Å; L283-I289 HydrophobicContact CB-CD1 4.08Å; L283-I289 HydrophobicContact CB-CG1 3.93Å; K284-I289 HydrophobicContact CB-CD1 4.47Å; K284-I289 HydrophobicContact CG-CD1 3.5Å; S287-I289 VanDerWaalsContact C-N 3.27Å; S287-I289 PolarHBondContact O-N 2.93Å |
| 290 | L | 86.3 | Confident | 88 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.4 | 175.6 | -157.9 | 76.9 | 0 | 0 | 0 | 108.9 | V214 K254 V255 A256 T257 C292 L297 | V214-L290 HydrophobicContact CG1-CD2 4.45Å; K254-L290 HydrophobicContact CB-CB 4.5Å; K254-L290 HydrophobicContact CD-CD1 3.79Å; V255-L290 PolarHBondContact O-N 2.8Å; A256-L290 WeakPolarHBondContact CA-O 3.44Å; T257-L290 PolarHBondContact N-O 3.06Å; T257-L290 PolarHBondContact OG1-O 3.42Å; L290-C292 HydrophobicContact CD2-CB 4.45Å; L290-C292 WeakPolarHBondContact CD2-SG 3.19Å; L290-C292 PolarHBondContact O-N 2.83Å; L290-L297 HydrophobicContact CD2-CD1 4.17Å |
| 291 | S | 87 | Confident | 87.3 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 78% | 0.776 | 35% | 0.346 | S | S | * | . | trans | -76.5 | 73.3 | 176.3 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 292 | C | 87.1 | Confident | 86.5 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | trans | -145.9 | 162.9 | 176.9 | 75.3 | 0 | 0 | 0 | 0 | 110.7 | T257 L290 D296 | T257-C292 PolarHBondContact OG1-N 3.06Å; T257-C292 PolarHBondContact OG1-O 3.02Å; L290-C292 HydrophobicContact CD2-CB 4.45Å; L290-C292 WeakPolarHBondContact CD2-SG 3.19Å; L290-C292 PolarHBondContact O-N 2.83Å; C292-D296 HydrophobicContact CB-CB 3.98Å | ||
| 293 | T | 90.1 | Very high | 85.2 | Confident | 58 Ų | 58 | 68.5 Ų | 68.5 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | trans | -80.9 | 167 | 170.9 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | E258 D295 D296 L297 | E258-T293 WeakPolarHBondContact OE2-CA 3.48Å; E258-T293 WeakPolarHBondContact OE2-CB 3.24Å; T293-D295 VanDerWaalsContact C-N 3.28Å; T293-D295 PolarHBondContact OG1-N 3.14Å; T293-D296 WeakPolarHBondContact CB-OD2 3.39Å; T293-D296 PolarHBondContact N-OD2 3.23Å; T293-D296 PolarHBondContact O-N 2.69Å; T293-D296 PolarHBondContact OG1-N 3.46Å; T293-D296 PolarHBondContact OG1-OD2 3.34Å; T293-L297 WeakPolarHBondContact O-CB 3.29Å; T293-L297 PolarHBondContact O-N 3.01Å; T293-L297 VanDerWaalsContact O-N 3.11Å | ||
| 294 | I | 90 | Very high | 83.3 | Confident | 11 Ų | 11 | 77.1 Ų | 77.1 | 6% | 0.056 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 169 | -64 | -60.2 | 0 | 0 | 0 | 110.2 | L219 I222 A256 E258 L297 V298 | L219-I294 HydrophobicContact CD2-CG2 3.7Å; I222-I294 HydrophobicContact CD1-CD1 3.55Å; I222-I294 HydrophobicContact CD1-CG1 3.55Å; A256-I294 HydrophobicContact CB-CD1 4.19Å; E258-I294 HydrophobicContact CB-CG1 4.25Å; E258-I294 HydrophobicContact CG-CG1 4.16Å; E258-I294 PolarHBondContact OE2-N 3.34Å; I294-L297 PolarHBondContact O-N 2.86Å; I294-V298 HydrophobicContact CG2-CG1 4.18Å; I294-V298 WeakPolarHBondContact O-CG2 3.27Å; I294-V298 PolarHBondContact O-N 3.43Å |
| 295 | D | 91.4 | Very high | 81 | Confident | 54 Ų | 54 | 81.7 Ų | 81.7 | 29% | 0.289 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 175.1 | -173.7 | 85.5 | 0 | 0 | 0 | 111 | Y154 K155 T293 L297 V298 C299 | Y154-D295 VanDerWaalsContact CE1-OD1 3.23Å; Y154-D295 WeakPolarHBondContact CE1-OD1 3.26Å; Y154-D295 WeakPolarHBondContact OH-CA 3.46Å; Y154-D295 PolarHBondContact OH-OD1 2.86Å; K155-D295 IonicContact NZ-OD1 3.98Å; K155-D295 PolarHBondContact NZ-OD1 3.24Å; K155-D295 IonicContact NZ-OD2 2.73Å; K155-D295 PolarHBondContact NZ-OD2 3.18Å; T293-D295 VanDerWaalsContact C-N 3.28Å; T293-D295 PolarHBondContact OG1-N 3.14Å; D295-L297 VanDerWaalsContact C-N 3.28Å; D295-L297 PolarHBondContact O-N 3.16Å; D295-V298 WeakPolarHBondContact O-CG2 3.39Å; D295-V298 PolarHBondContact O-N 3.14Å; D295-C299 WeakPolarHBondContact O-CB 3.41Å; D295-C299 PolarHBondContact O-N 3.4Å; D295-C299 PolarHBondContact O-SG 2.93Å |
| 296 | D | 90.7 | Very high | 78.2 | Confident | 80 Ų | 80 | 82.7 Ų | 82.7 | 43% | 0.428 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 176.1 | -62.3 | -43.9 | 0 | 0 | 0 | 110.8 | C292 T293 C299 L300 | C292-D296 HydrophobicContact CB-CB 3.98Å; T293-D296 WeakPolarHBondContact CB-OD2 3.39Å; T293-D296 PolarHBondContact N-OD2 3.23Å; T293-D296 PolarHBondContact O-N 2.69Å; T293-D296 PolarHBondContact OG1-N 3.46Å; T293-D296 PolarHBondContact OG1-OD2 3.34Å; D296-C299 CarbonylContact O-C 3.49Å; D296-C299 PolarHBondContact O-N 2.8Å; D296-L300 WeakPolarHBondContact O-CG 3.23Å; D296-L300 PolarHBondContact O-N 3.2Å |
| 297 | L | 88.9 | Confident | 75.9 | Confident | 4 Ų | 4 | 85.1 Ų | 85.1 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.2 | -43.6 | -174.6 | -172 | 61.6 | 0 | 0 | 0 | 112.5 | V214 T215 A256 L290 T293 I294 D295 C299 L300 | V214-L297 HydrophobicContact CG1-CD1 3.96Å; V214-L297 HydrophobicContact CG1-CD2 4.39Å; T215-L297 HydrophobicContact CG2-CD2 4.45Å; T215-L297 HydrophobicContact CG2-CG 4.08Å; A256-L297 HydrophobicContact CB-CD2 4.14Å; L290-L297 HydrophobicContact CD2-CD1 4.17Å; T293-L297 WeakPolarHBondContact O-CB 3.29Å; T293-L297 PolarHBondContact O-N 3.01Å; T293-L297 VanDerWaalsContact O-N 3.11Å; I294-L297 PolarHBondContact O-N 2.86Å; D295-L297 VanDerWaalsContact C-N 3.28Å; D295-L297 PolarHBondContact O-N 3.16Å; L297-C299 VanDerWaalsContact C-N 3.34Å; L297-L300 HydrophobicContact CD1-CD1 4Å |
| 298 | V | 89.4 | Confident | 73.5 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -75.7 | -24.1 | 176.1 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | Y154 K182 F186 A189 T215 L219 I294 D295 | Y154-V298 HydrophobicContact CD1-CG2 4.23Å; Y154-V298 HydrophobicContact CE1-CG2 3.56Å; K182-V298 WeakPolarHBondContact CE-O 3.49Å; K182-V298 PolarHBondContact NZ-O 3.21Å; F186-V298 HydrophobicContact CD1-CB 4.25Å; F186-V298 HydrophobicContact CD1-CG2 4.12Å; F186-V298 HydrophobicContact CE1-CB 4.22Å; F186-V298 HydrophobicContact CE1-CG2 4.05Å; F186-V298 VanDerWaalsContact CE1-O 3.27Å; F186-V298 WeakPolarHBondContact CE1-O 3.06Å; F186-V298 VanDerWaalsContact CZ-O 3.27Å; F186-V298 WeakPolarHBondContact CZ-O 3.32Å; A189-V298 HydrophobicContact CB-CG1 4.05Å; T215-V298 HydrophobicContact CG2-CG1 3.86Å; L219-V298 HydrophobicContact CD1-CG1 4.25Å; L219-V298 HydrophobicContact CD2-CG1 4.47Å; I294-V298 HydrophobicContact CG2-CG1 4.18Å; I294-V298 WeakPolarHBondContact O-CG2 3.27Å; I294-V298 PolarHBondContact O-N 3.43Å; D295-V298 WeakPolarHBondContact O-CG2 3.39Å; D295-V298 PolarHBondContact O-N 3.14Å |
| 299 | C | 89.4 | Confident | 70.8 | Confident | 41 Ų | 41 | 91 Ų | 91 | 28% | 0.277 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -91.5 | -1.3 | 177.1 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | K155 D295 D296 L297 | K155-C299 WeakPolarHBondContact CE-SG 3.07Å; K155-C299 PolarHBondContact NZ-SG 2.68Å; K155-C299 VanDerWaalsContact NZ-SG 3.37Å; D295-C299 WeakPolarHBondContact O-CB 3.41Å; D295-C299 PolarHBondContact O-N 3.4Å; D295-C299 PolarHBondContact O-SG 2.93Å; D296-C299 CarbonylContact O-C 3.49Å; D296-C299 PolarHBondContact O-N 2.8Å; L297-C299 VanDerWaalsContact C-N 3.34Å |
| 300 | L | 85.6 | Confident | 68.1 | Low | 86 Ų | 86 | 94.6 Ų | 94.6 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -51 | 135.1 | 175 | -76.6 | 179.5 | 0 | 0 | 0 | 111.3 | K182 D296 L297 V302 | K182-L300 WeakPolarHBondContact CE-O 3.49Å; K182-L300 PolarHBondContact NZ-O 2.87Å; D296-L300 WeakPolarHBondContact O-CG 3.23Å; D296-L300 PolarHBondContact O-N 3.2Å; L297-L300 HydrophobicContact CD1-CD1 4Å; L300-V302 PolarHBondContact O-N 3.39Å |
| 301 | P | 77.2 | Confident | 65.4 | Low | 112 Ų | 112 | 101.2 Ų | 101.2 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | trans | -53.8 | 141.3 | 175.1 | -26.2 | 33.9 | 0 | 0 | 0 | 111.6 | R303 | P301-R303 PolarHBondContact O-N 3.44Š| ||
| 302 | V | 73.1 | Confident | 62.7 | Low | 96 Ų | 96 | 99.4 Ų | 99.4 | 58% | 0.582 | 53% | 0.526 | S | S | * | . | trans | -65 | 110.4 | 171.1 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | I147 K182 L300 Q304 | I147-V302 HydrophobicContact CD1-CG2 4.32Å; K182-V302 HydrophobicContact CG-CG2 4.3Å; L300-V302 PolarHBondContact O-N 3.39Å; V302-Q304 PolarHBondContact O-N 2.99Å | ||
| 303 | R | 62.8 | Low | 59.9 | Low | 220 Ų | 220 | 105.3 Ų | 105.3 | 83% | 0.83 | 56% | 0.556 | S | S | * | * | trans | -60.5 | 125.9 | 172.9 | -69.9 | -175.6 | 178.2 | 150.2 | 0.9 | 108.2 | P301 R305 | P301-R303 PolarHBondContact O-N 3.44Å; R303-R305 PolarHBondContact O-N 2.94Å | ||
| 304 | Q | 48 | Very low | 56.9 | Low | 183 Ų | 183 | 112.4 Ų | 112.4 | 86% | 0.855 | 59% | 0.585 | S | S | * | * | trans | -61.6 | 123.3 | 161.6 | -69.9 | -176.8 | -10.3 | 0 | 0 | 105.9 | V302 E306 | V302-Q304 PolarHBondContact O-N 2.99Å; Q304-E306 PolarHBondContact O-N 2.7Å | ||
| 305 | R | 39.5 | Very low | 54 | Low | 240 Ų | 240 | 116.2 Ų | 116.2 | 91% | 0.906 | 61% | 0.612 | S | S | * | * | trans | -58.7 | 112.6 | 166.8 | -174.1 | 176.5 | -175.5 | 170.5 | 0.5 | 104.3 | R303 S307 | R303-R305 PolarHBondContact O-N 2.94Å; R305-S307 PolarHBondContact O-N 2.91Å | ||
| 306 | E | 29.2 | Very low | 51 | Low | 172 Ų | 172 | 120.4 Ų | 120.4 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -51.8 | 112.4 | 165.4 | -73.2 | 171.2 | -177.7 | 0 | 0 | 104.5 | Q304 V308 | Q304-E306 PolarHBondContact O-N 2.7Å; E306-V308 PolarHBondContact O-N 3.46Å | ||
| 307 | S | 34.3 | Very low | 47.8 | Very low | 99 Ų | 99 | 120 Ų | 120 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | trans | -60.6 | 103 | 166.5 | 47.9 | 0 | 0 | 0 | 0 | 103.8 | R305 T309 | R305-S307 PolarHBondContact O-N 2.91Å; S307-T309 VanDerWaalsContact C-N 3.26Å; S307-T309 PolarHBondContact O-N 2.94Å | ||
| 308 | V | 32 | Very low | 44.6 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | trans | -53.9 | 107.3 | 159.9 | 178.5 | 0 | 0 | 0 | 0 | 103.4 | E306 T310 | E306-V308 PolarHBondContact O-N 3.46Å; V308-T310 HydrophobicContact CG1-CG2 4.36Å; V308-T310 PolarHBondContact O-N 3.04Å; V308-T310 PolarHBondContact O-OG1 3.29Å | ||
| 309 | T | 27.7 | Very low | 41.6 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | -63.1 | 81.6 | 163.8 | 41.8 | 0 | 0 | 0 | 0 | 105.2 | S307 E311 | S307-T309 VanDerWaalsContact C-N 3.26Å; S307-T309 PolarHBondContact O-N 2.94Å; T309-E311 PolarHBondContact O-N 3.17Å | ||
| 310 | T | 31.4 | Very low | 38.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -72.7 | 86 | 165.1 | 0.8 | 0 | 0 | 0 | 0 | 105.5 | V308 A312 | V308-T310 HydrophobicContact CG1-CG2 4.36Å; V308-T310 PolarHBondContact O-N 3.04Å; V308-T310 PolarHBondContact O-OG1 3.29Å; T310-A312 PolarHBondContact O-N 3.47Å; T310-A312 VanDerWaalsContact O-N 3.11Å | ||
| 311 | E | 28.4 | Very low | 35.8 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -61.9 | 92.8 | 148.8 | -68.3 | 177.8 | 173.8 | 0 | 0 | 106.4 | T309 | T309-E311 PolarHBondContact O-N 3.17Š| ||
| 312 | A | 30.4 | Very low | 33.3 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 61% | 0.612 | 78% | 0.776 | S | S | * | * | trans | -175.3 | 126.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T310 | T310-A312 PolarHBondContact O-N 3.47Å; T310-A312 VanDerWaalsContact O-N 3.11Å | ||
| 313 | D | 28.9 | Very low | 31.1 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 76.9 | 71.2 | 156.8 | -57.5 | -18 | 0 | 0 | 0 | 118.3 | S315 | D313-S315 PolarHBondContact O-N 3.34Š| ||
| 314 | E | 27.3 | Very low | 29.3 | Very low | 207 Ų | 207 | 141.9 Ų | 141.9 | 97% | 0.967 | 79% | 0.786 | S | S | * | * | trans | -56 | 82.6 | 136.6 | -67.7 | -176.6 | 163.4 | 0 | 0 | 110.2 | ||||
| 315 | S | 27.5 | Very low | 28.1 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | -158.3 | 130.9 | 153 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | D313 | D313-S315 PolarHBondContact O-N 3.34Š| ||
| 316 | V | 28.5 | Very low | 27.3 | Very low | 143 Ų | 143 | 135 Ų | 135 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | 82.9 | 109.1 | 157.9 | -162.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 317 | G | 24.6 | Very low | 27 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | 120 | 81.5 | 128 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 318 | G | 21.6 | Very low | 26.5 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | -66.5 | 126.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 319 | D | 25.4 | Very low | 26.3 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 171.2 | 99.7 | 139.9 | -98.3 | -13.4 | 0 | 0 | 0 | 108.5 | ||||
| 320 | S | 29.2 | Very low | 26.1 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -174.1 | 22.3 | 151.5 | -78.7 | 0 | 0 | 0 | 0 | 112.7 | Q322 | S320-Q322 VanDerWaalsContact C-N 3.33Å; S320-Q322 PolarHBondContact O-N 3.03Å | ||
| 321 | V | 26 | Very low | 25.9 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -91.8 | 74.2 | 163.6 | -176.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 322 | Q | 24.6 | Very low | 25.7 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -175 | 133.6 | 154.4 | -144.4 | 64.7 | 11.9 | 0 | 0 | 109.7 | S320 | S320-Q322 VanDerWaalsContact C-N 3.33Å; S320-Q322 PolarHBondContact O-N 3.03Å | ||
| 323 | K | 25.5 | Very low | 25.6 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | trans | 89.3 | 97.5 | -173.6 | -54.4 | 172.5 | -179.5 | -179.5 | 0 | 110.7 | ||||
| 324 | F | 25 | Very low | 25.4 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | -141.2 | 105.2 | 53.1 | -79.1 | -97.5 | 0 | 0 | 0 | 110.7 | |||||
| 325 | I | 22.4 | Very low | 25.4 | Very low | 138 Ų | 138 | 142 Ų | 142 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -96 | 103 | 148.2 | -64.7 | 170.9 | 0 | 0 | 0 | 102.9 | E327 | I325-E327 HydrophobicContact CG2-CG 4.46Š| ||
| 326 | D | 24.1 | Very low | 25.5 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -117.9 | 98.8 | 155.9 | -89.7 | -31.9 | 0 | 0 | 0 | 106.2 | ||||
| 327 | E | 22.3 | Very low | 25.5 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -53.1 | 135 | 152.5 | -68.3 | 174.5 | 137.3 | 0 | 0 | 108.2 | I325 | I325-E327 HydrophobicContact CG2-CG 4.46Š| ||
| 328 | S | 24.4 | Very low | 25.7 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | -174.3 | 137.3 | 129.7 | -77.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 329 | I | 27.6 | Very low | 26.1 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 94.2 | 73.3 | 156.4 | -34.8 | -163.9 | 0 | 0 | 0 | 117.3 | R331 | I329-R331 HydrophobicContact CG2-CB 4.33Å; I329-R331 HydrophobicContact CG2-CG 3.77Å; I329-R331 PolarHBondContact O-N 3.34Å | ||
| 330 | L | 23.2 | Very low | 26.7 | Very low | 165 Ų | 165 | 151.8 Ų | 151.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | -48.4 | 119 | 128.9 | -76.7 | 155.7 | 0 | 0 | 0 | 110.5 | |||||
| 331 | R | 26.7 | Very low | 27.2 | Very low | 228 Ų | 228 | 150.8 Ų | 150.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -137 | 112 | 148.8 | -82.3 | -169.3 | -176 | -173.7 | 2.1 | 110.1 | I329 | I329-R331 HydrophobicContact CG2-CB 4.33Å; I329-R331 HydrophobicContact CG2-CG 3.77Å; I329-R331 PolarHBondContact O-N 3.34Å | ||
| 332 | I | 24.3 | Very low | 27.8 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -72.1 | 130.8 | 166.7 | -64.6 | 165.4 | 0 | 0 | 0 | 107.5 | ||||
| 333 | H | 27.8 | Very low | 28.4 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | trans | -136.3 | 109.7 | 150.5 | -116.5 | -56 | 0 | 0 | 0 | 108.8 | ||||
| 334 | D | 25.1 | Very low | 28.8 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | trans | -60 | 139.9 | 155.6 | -75 | -44.6 | 0 | 0 | 0 | 109.5 | ||||
| 335 | S | 27.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | 158.7 | 132.1 | 112 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 336 | E | 30.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | trans | 94 | 126.1 | 143.6 | -72.7 | 176.9 | -174 | 0 | 0 | 122.4 | ||||
| 337 | Q | 26.6 | Very low | 30.5 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | trans | -66 | 139.3 | 174.2 | -66.8 | 161.5 | -24.1 | 0 | 0 | 112.2 | ||||
| 338 | S | 30.2 | Very low | 31.1 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | 172.8 | 142.1 | 128.3 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 339 | D | 29.8 | Very low | 32 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | trans | 60.5 | 75.8 | 167 | -79.1 | -22.8 | 0 | 0 | 0 | 121.1 | S341 T343 | D339-S341 VanDerWaalsContact C-N 3.33Å; D339-S341 PolarHBondContact O-N 3.46Å; D339-T343 PolarHBondContact O-OG1 3.07Å | ||
| 340 | V | 37.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 79% | 0.788 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -72 | -9 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 341 | S | 39.5 | Very low | 33.7 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -89.5 | -30.5 | -177 | 76.7 | 0 | 0 | 0 | 0 | 114 | D339 | D339-S341 VanDerWaalsContact C-N 3.33Å; D339-S341 PolarHBondContact O-N 3.46Å |
| 342 | T | 38 | Very low | 34.6 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 52% | 0.515 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -83.7 | -35.4 | 177.5 | -10.8 | 0 | 0 | 0 | 0 | 111.1 | R344 R345 E346 | T342-R344 VanDerWaalsContact C-N 3.28Å; T342-R344 PolarHBondContact O-N 3.24Å; T342-R345 PolarHBondContact O-N 3.08Å; T342-E346 PolarHBondContact O-N 2.91Å |
| 343 | T | 38.7 | Very low | 35.7 | Very low | 60 Ų | 60 | 124.9 Ų | 124.9 | 37% | 0.368 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -61.8 | -31.9 | 179.4 | -3.2 | 0 | 0 | 0 | 0 | 112.5 | D339 R345 E346 L347 | D339-T343 PolarHBondContact O-OG1 3.07Å; T343-R345 PolarHBondContact O-N 3.46Å; T343-E346 PolarHBondContact O-N 2.92Å; T343-L347 HydrophobicContact CG2-CD1 4.03Å; T343-L347 WeakPolarHBondContact O-CB 3.41Å; T343-L347 WeakPolarHBondContact O-CD1 3.47Å; T343-L347 VanDerWaalsContact O-CG 3.3Å; T343-L347 WeakPolarHBondContact O-CG 3.45Å; T343-L347 PolarHBondContact O-N 3.46Å |
| 344 | R | 33.9 | Very low | 36.7 | Very low | 178 Ų | 178 | 121 Ų | 121 | 67% | 0.672 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.7 | -34.3 | -177.3 | -166.9 | 174.1 | -178.3 | 175 | -0.9 | 113.3 | T342 Q348 | T342-R344 VanDerWaalsContact C-N 3.28Å; T342-R344 PolarHBondContact O-N 3.24Å; R344-Q348 WeakPolarHBondContact O-CB 3.34Å; R344-Q348 PolarHBondContact O-N 3.23Å |
| 345 | R | 38 | Very low | 38.1 | Very low | 201 Ų | 201 | 116.4 Ų | 116.4 | 76% | 0.758 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.9 | -34.5 | 176.3 | -85.4 | -177.1 | -179.7 | 157.2 | 1.1 | 112.2 | T342 T343 K349 | T342-R345 PolarHBondContact O-N 3.08Å; T343-R345 PolarHBondContact O-N 3.46Å; R345-K349 PolarHBondContact O-N 3.39Å; R345-K349 VanDerWaalsContact O-N 3.12Å |
| 346 | E | 36.2 | Very low | 39.3 | Very low | 124 Ų | 124 | 115.3 Ų | 115.3 | 58% | 0.579 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.1 | -40.7 | 173.4 | -70.5 | -176 | 163.1 | 0 | 0 | 111.1 | T342 T343 Q348 K349 V350 | T342-E346 PolarHBondContact O-N 2.91Å; T343-E346 PolarHBondContact O-N 2.92Å; E346-Q348 VanDerWaalsContact C-N 3.34Å; E346-Q348 PolarHBondContact O-N 3.05Å; E346-K349 CarbonylContact O-C 3.58Å; E346-K349 PolarHBondContact O-N 2.92Å; E346-K349 VanDerWaalsContact O-N 3.1Å; E346-V350 WeakPolarHBondContact O-CB 3.29Å; E346-V350 VanDerWaalsContact O-CG2 3.24Å; E346-V350 WeakPolarHBondContact O-CG2 3.5Å; E346-V350 PolarHBondContact O-N 2.97Å |
| 347 | L | 32.5 | Very low | 40.4 | Very low | 96 Ų | 96 | 109.7 Ų | 109.7 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -36.9 | 170.5 | -82.3 | 156.1 | 0 | 0 | 0 | 111.9 | T343 K349 V350 V351 | T343-L347 HydrophobicContact CG2-CD1 4.03Å; T343-L347 WeakPolarHBondContact O-CB 3.41Å; T343-L347 WeakPolarHBondContact O-CD1 3.47Å; T343-L347 VanDerWaalsContact O-CG 3.3Å; T343-L347 WeakPolarHBondContact O-CG 3.45Å; T343-L347 PolarHBondContact O-N 3.46Å; L347-K349 VanDerWaalsContact C-N 3.35Å; L347-V350 PolarHBondContact O-N 3.45Å; L347-V351 VanDerWaalsContact O-CB 3.22Å; L347-V351 WeakPolarHBondContact O-CB 3.49Å; L347-V351 WeakPolarHBondContact O-CG2 3.05Å; L347-V351 PolarHBondContact O-N 3.24Å |
| 348 | Q | 34.7 | Very low | 41.8 | Very low | 90 Ų | 90 | 102.4 Ų | 102.4 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -32.6 | 172.9 | -90.1 | -177.7 | -29 | 0 | 0 | 113.2 | R344 E346 K352 | R344-Q348 WeakPolarHBondContact O-CB 3.34Å; R344-Q348 PolarHBondContact O-N 3.23Å; E346-Q348 VanDerWaalsContact C-N 3.34Å; E346-Q348 PolarHBondContact O-N 3.05Å; Q348-K352 PolarHBondContact O-N 3.46Å; Q348-K352 VanDerWaalsContact O-N 3.1Å |
| 349 | K | 42.6 | Very low | 42.8 | Very low | 160 Ų | 160 | 98.6 Ų | 98.6 | 70% | 0.696 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.4 | -44.2 | 171.8 | -83.9 | -174.2 | 175.7 | -178 | 0 | 111.5 | R345 E346 L347 V351 K352 E353 | R345-K349 PolarHBondContact O-N 3.39Å; R345-K349 VanDerWaalsContact O-N 3.12Å; E346-K349 CarbonylContact O-C 3.58Å; E346-K349 PolarHBondContact O-N 2.92Å; E346-K349 VanDerWaalsContact O-N 3.1Å; L347-K349 VanDerWaalsContact C-N 3.35Å; K349-V351 VanDerWaalsContact C-N 3.35Å; K349-K352 WeakPolarHBondContact O-CB 3.35Å; K349-K352 PolarHBondContact O-N 3.16Å; K349-E353 WeakPolarHBondContact O-CB 3.38Å; K349-E353 PolarHBondContact O-N 3.05Å |
| 350 | V | 43.5 | Very low | 43.7 | Very low | 65 Ų | 65 | 94.4 Ų | 94.4 | 39% | 0.394 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 177.5 | 174 | 0 | 0 | 0 | 0 | 110.9 | E346 L347 E353 E354 | E346-V350 WeakPolarHBondContact O-CB 3.29Å; E346-V350 VanDerWaalsContact O-CG2 3.24Å; E346-V350 WeakPolarHBondContact O-CG2 3.5Å; E346-V350 PolarHBondContact O-N 2.97Å; L347-V350 PolarHBondContact O-N 3.45Å; V350-E353 CarbonylContact O-C 3.57Å; V350-E353 PolarHBondContact O-N 3.27Å; V350-E354 HydrophobicContact CG1-CG 4.16Å; V350-E354 WeakPolarHBondContact O-CA 3.36Å; V350-E354 VanDerWaalsContact O-CB 3.24Å; V350-E354 WeakPolarHBondContact O-CB 3.31Å; V350-E354 WeakPolarHBondContact O-CG 3.32Å; V350-E354 PolarHBondContact O-N 3.22Å |
| 351 | V | 44.3 | Very low | 44.3 | Very low | 50 Ų | 50 | 96.2 Ų | 96.2 | 30% | 0.303 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 173.7 | 169.9 | 0 | 0 | 0 | 0 | 111 | L347 K349 E353 E354 V355 | L347-V351 VanDerWaalsContact O-CB 3.22Å; L347-V351 WeakPolarHBondContact O-CB 3.49Å; L347-V351 WeakPolarHBondContact O-CG2 3.05Å; L347-V351 PolarHBondContact O-N 3.24Å; K349-V351 VanDerWaalsContact C-N 3.35Å; V351-E353 VanDerWaalsContact C-N 3.31Å; V351-E354 PolarHBondContact O-N 3.07Å; V351-V355 HydrophobicContact CG1-CG2 4.46Å; V351-V355 WeakPolarHBondContact O-CB 3.45Å; V351-V355 WeakPolarHBondContact O-CG2 3.45Å; V351-V355 PolarHBondContact O-N 2.86Å |
| 352 | K | 45.8 | Very low | 44.6 | Very low | 122 Ų | 122 | 99.1 Ų | 99.1 | 53% | 0.53 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 168.9 | -83 | -177.1 | 178.2 | 178.3 | 0 | 110.7 | Q348 K349 V356 | Q348-K352 PolarHBondContact O-N 3.46Å; Q348-K352 VanDerWaalsContact O-N 3.1Å; K349-K352 WeakPolarHBondContact O-CB 3.35Å; K349-K352 PolarHBondContact O-N 3.16Å; K352-V356 WeakPolarHBondContact O-CB 3.1Å; K352-V356 WeakPolarHBondContact O-CG2 3.35Å; K352-V356 PolarHBondContact O-N 3.06Å |
| 353 | E | 47.5 | Very low | 44.9 | Very low | 116 Ų | 116 | 100.2 Ų | 100.2 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.3 | -32.2 | 179.7 | -145.8 | 172 | -168.8 | 0 | 0 | 112.3 | K349 V350 V351 V356 N357 | K349-E353 WeakPolarHBondContact O-CB 3.38Å; K349-E353 PolarHBondContact O-N 3.05Å; V350-E353 CarbonylContact O-C 3.57Å; V350-E353 PolarHBondContact O-N 3.27Å; V351-E353 VanDerWaalsContact C-N 3.31Å; E353-V356 CarbonylContact O-C 3.54Å; E353-N357 WeakPolarHBondContact O-CA 3.43Å; E353-N357 WeakPolarHBondContact O-CB 3.37Å; E353-N357 PolarHBondContact O-N 3.45Å; E353-N357 PolarHBondContact O-ND2 3.13Å |
| 354 | E | 49 | Very low | 45 | Very low | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77 | -36.8 | 177.5 | -84.1 | -170.2 | 158.4 | 0 | 0 | 112 | V350 V351 N357 A358 | V350-E354 HydrophobicContact CG1-CG 4.16Å; V350-E354 WeakPolarHBondContact O-CA 3.36Å; V350-E354 VanDerWaalsContact O-CB 3.24Å; V350-E354 WeakPolarHBondContact O-CB 3.31Å; V350-E354 WeakPolarHBondContact O-CG 3.32Å; V350-E354 PolarHBondContact O-N 3.22Å; V351-E354 PolarHBondContact O-N 3.07Å; E354-N357 CarbonylContact O-C 3.46Å; E354-N357 PolarHBondContact O-N 3.47Å; E354-A358 WeakPolarHBondContact O-CA 3.31Å; E354-A358 WeakPolarHBondContact O-CB 3.45Å; E354-A358 PolarHBondContact O-N 2.89Å |
| 355 | V | 52.6 | Low | 45.8 | Very low | 39 Ų | 39 | 96.5 Ų | 96.5 | 24% | 0.236 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 168.6 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | V351 N357 A358 V359 | V351-V355 HydrophobicContact CG1-CG2 4.46Å; V351-V355 WeakPolarHBondContact O-CB 3.45Å; V351-V355 WeakPolarHBondContact O-CG2 3.45Å; V351-V355 PolarHBondContact O-N 2.86Å; V355-N357 VanDerWaalsContact C-N 3.25Å; V355-N357 PolarHBondContact O-N 3.14Å; V355-A358 PolarHBondContact O-N 2.65Å; V355-V359 HydrophobicContact CG1-CG2 4.44Å; V355-V359 VanDerWaalsContact O-CB 3.32Å; V355-V359 WeakPolarHBondContact O-CB 3.46Å; V355-V359 WeakPolarHBondContact O-CG2 3.39Å; V355-V359 PolarHBondContact O-N 3.39Å |
| 356 | V | 53.4 | Low | 45.9 | Very low | 81 Ų | 81 | 91.9 Ų | 91.9 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.9 | -37.3 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | K352 E353 A360 | K352-V356 WeakPolarHBondContact O-CB 3.1Å; K352-V356 WeakPolarHBondContact O-CG2 3.35Å; K352-V356 PolarHBondContact O-N 3.06Å; E353-V356 CarbonylContact O-C 3.54Å; V356-A360 WeakPolarHBondContact O-CA 3.38Å; V356-A360 WeakPolarHBondContact O-CB 3.31Å; V356-A360 PolarHBondContact O-N 2.73Å |
| 357 | N | 54.2 | Low | 45.9 | Very low | 72 Ų | 72 | 88.2 Ų | 88.2 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -81 | -25.6 | 179.6 | -75.1 | -27.1 | 0 | 0 | 0 | 112.6 | E353 E354 V355 R361 | E353-N357 WeakPolarHBondContact O-CA 3.43Å; E353-N357 WeakPolarHBondContact O-CB 3.37Å; E353-N357 PolarHBondContact O-N 3.45Å; E353-N357 PolarHBondContact O-ND2 3.13Å; E354-N357 CarbonylContact O-C 3.46Å; E354-N357 PolarHBondContact O-N 3.47Å; V355-N357 VanDerWaalsContact C-N 3.25Å; V355-N357 PolarHBondContact O-N 3.14Å; N357-R361 WeakPolarHBondContact O-CA 3.34Å; N357-R361 WeakPolarHBondContact O-CB 3.49Å; N357-R361 WeakPolarHBondContact O-CG 3.35Å; N357-R361 PolarHBondContact O-N 3.21Å; N357-R361 PolarHBondContact O-NE 2.72Å |
| 358 | A | 55.7 | Low | 46 | Very low | 36 Ų | 36 | 89.7 Ų | 89.7 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.3 | -42 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | E354 V355 R362 | E354-A358 WeakPolarHBondContact O-CA 3.31Å; E354-A358 WeakPolarHBondContact O-CB 3.45Å; E354-A358 PolarHBondContact O-N 2.89Å; V355-A358 PolarHBondContact O-N 2.65Å; A358-R362 PolarHBondContact O-N 3.13Å |
| 359 | V | 52.4 | Low | 46.2 | Very low | 30 Ų | 30 | 95 Ų | 95 | 18% | 0.182 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 169.3 | 174.9 | 0 | 0 | 0 | 0 | 110 | V355 R362 I363 | V355-V359 HydrophobicContact CG1-CG2 4.44Å; V355-V359 VanDerWaalsContact O-CB 3.32Å; V355-V359 WeakPolarHBondContact O-CB 3.46Å; V355-V359 WeakPolarHBondContact O-CG2 3.39Å; V355-V359 PolarHBondContact O-N 3.39Å; V359-R362 WeakPolarHBondContact O-CA 3.37Å; V359-R362 WeakPolarHBondContact O-CB 3.38Å; V359-R362 PolarHBondContact O-N 3.41Å; V359-I363 HydrophobicContact CG1-CD1 4.24Å; V359-I363 WeakPolarHBondContact O-CG1 3.26Å; V359-I363 PolarHBondContact O-N 3.25Å |
| 360 | A | 47.1 | Very low | 45.7 | Very low | 38 Ų | 38 | 96.4 Ų | 96.4 | 31% | 0.314 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.5 | -33.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V356 R362 I363 A364 | V356-A360 WeakPolarHBondContact O-CA 3.38Å; V356-A360 WeakPolarHBondContact O-CB 3.31Å; V356-A360 PolarHBondContact O-N 2.73Å; A360-R362 PolarHBondContact O-N 3.27Å; A360-I363 CarbonylContact O-C 3.52Å; A360-I363 WeakPolarHBondContact O-CA 3.05Å; A360-I363 WeakPolarHBondContact O-CB 3.3Å; A360-I363 PolarHBondContact O-N 3.17Å; A360-A364 WeakPolarHBondContact O-CB 3.47Å; A360-A364 PolarHBondContact O-N 3.04Å |
| 361 | R | 49.8 | Very low | 45.2 | Very low | 168 Ų | 168 | 103.7 Ų | 103.7 | 63% | 0.634 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.8 | -33.1 | 170 | -84 | -176.9 | -80.2 | -176.7 | -5.4 | 111 | N357 A364 S365 | N357-R361 WeakPolarHBondContact O-CA 3.34Å; N357-R361 WeakPolarHBondContact O-CB 3.49Å; N357-R361 WeakPolarHBondContact O-CG 3.35Å; N357-R361 PolarHBondContact O-N 3.21Å; N357-R361 PolarHBondContact O-NE 2.72Å; R361-A364 PolarHBondContact O-N 2.99Å; R361-S365 PolarHBondContact O-N 2.79Å; R361-S365 PolarHBondContact O-OG 3.37Å |
| 362 | R | 47.3 | Very low | 45.2 | Very low | 161 Ų | 161 | 106.4 Ų | 106.4 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65 | -45.7 | 169.9 | -159.2 | 76.6 | -172.6 | -172.3 | 5 | 111.1 | A358 V359 A360 A364 S365 E366 | A358-R362 PolarHBondContact O-N 3.13Å; V359-R362 WeakPolarHBondContact O-CA 3.37Å; V359-R362 WeakPolarHBondContact O-CB 3.38Å; V359-R362 PolarHBondContact O-N 3.41Å; A360-R362 PolarHBondContact O-N 3.27Å; R362-A364 VanDerWaalsContact C-N 3.3Å; R362-A364 PolarHBondContact O-N 2.85Å; R362-S365 PolarHBondContact O-N 2.88Å; R362-S365 PolarHBondContact O-OG 3.31Å; R362-E366 PolarHBondContact O-N 3.22Å |
| 363 | I | 43.7 | Very low | 45.2 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 54% | 0.544 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.1 | -39.5 | 172.4 | -64.2 | 160.3 | 0 | 0 | 0 | 111.5 | V359 A360 E366 | V359-I363 HydrophobicContact CG1-CD1 4.24Å; V359-I363 WeakPolarHBondContact O-CG1 3.26Å; V359-I363 PolarHBondContact O-N 3.25Å; A360-I363 CarbonylContact O-C 3.52Å; A360-I363 WeakPolarHBondContact O-CA 3.05Å; A360-I363 WeakPolarHBondContact O-CB 3.3Å; A360-I363 PolarHBondContact O-N 3.17Å; I363-E366 CarbonylContact O-C 3.56Å; I363-E366 PolarHBondContact O-N 3.27Å |
| 364 | A | 39.9 | Very low | 45.1 | Very low | 78 Ų | 78 | 104.9 Ų | 104.9 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.8 | -29.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A360 R361 R362 E366 | A360-A364 WeakPolarHBondContact O-CB 3.47Å; A360-A364 PolarHBondContact O-N 3.04Å; R361-A364 PolarHBondContact O-N 2.99Å; R362-A364 VanDerWaalsContact C-N 3.3Å; R362-A364 PolarHBondContact O-N 2.85Å; A364-E366 VanDerWaalsContact C-N 3.28Å |
| 365 | S | 51.8 | Low | 44.9 | Very low | 83 Ų | 83 | 104.6 Ų | 104.6 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.9 | -24.1 | 174.7 | 69.3 | 0 | 0 | 0 | 0 | 113 | R361 R362 | R361-S365 PolarHBondContact O-N 2.79Å; R361-S365 PolarHBondContact O-OG 3.37Å; R362-S365 PolarHBondContact O-N 2.88Å; R362-S365 PolarHBondContact O-OG 3.31Å |
| 366 | E | 39 | Very low | 44.4 | Very low | 103 Ų | 103 | 108.7 Ų | 108.7 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -103.4 | 79.7 | 172.4 | -64 | -173.9 | -164.9 | 0 | 0 | 107 | R362 I363 A364 | R362-E366 PolarHBondContact O-N 3.22Å; I363-E366 CarbonylContact O-C 3.56Å; I363-E366 PolarHBondContact O-N 3.27Å; A364-E366 VanDerWaalsContact C-N 3.28Å |
| 367 | G | 36.7 | Very low | 43.8 | Very low | 48 Ų | 48 | 110.5 Ų | 110.5 | 50% | 0.495 | 60% | 0.599 | S | S | . | * | trans | -42.9 | 157.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y369 | G367-Y369 PolarHBondContact O-N 3.47Š| ||
| 368 | P | 34.4 | Very low | 43 | Very low | 127 Ų | 127 | 113.3 Ų | 113.3 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | trans | -60 | 130.7 | -157.3 | 25.5 | -34.4 | 0 | 0 | 0 | 112.6 | E370 | P368-E370 PolarHBondContact O-N 3.16Š| ||
| 369 | Y | 39.5 | Very low | 42 | Very low | 200 Ų | 200 | 119.2 Ų | 119.2 | 78% | 0.784 | 64% | 0.638 | S | S | * | * | trans | -62.5 | 115.2 | 163.8 | -68.3 | -87.3 | 0 | 0 | 0 | 107.8 | G367 | G367-Y369 PolarHBondContact O-N 3.47Š| ||
| 370 | E | 31.8 | Very low | 41.2 | Very low | 191 Ų | 191 | 126.7 Ų | 126.7 | 89% | 0.893 | 68% | 0.676 | S | S | * | * | trans | -59.1 | 136 | 168.6 | -70.2 | -176.8 | 161.3 | 0 | 0 | 109.4 | P368 | P368-E370 PolarHBondContact O-N 3.16Š| ||
| 371 | V | 33.1 | Very low | 40.6 | Very low | 217 Ų | 217 | 134.7 Ų | 134.7 | 100% | 1.315 | 71% | 0.709 | S | S | * | * | trans | -24.8 | 0 | -174.8 | -175.1 | 0 | 0 | 0 | 0 | 117 |
Retrieved 371 of 371 residues in 268.8 ms
(Link to these results)