| 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 | 51.3 | Low | 70.7 | Confident | 186 Ų | 186 | 99.9 Ų | 99.9 | 92% | 0.916 | 56% | 0.56 | S | S | * | * | 0 | -69.3 | 0 | -111.7 | 176.4 | 78.9 | 0 | 0 | 114.8 | S3 E4 V5 | M1-S3 PolarHBondContact O-N 3.34Å; M1-E4 PolarHBondContact N-OE2 2.98Å; M1-V5 WeakPolarHBondContact O-CG2 3.32Å; M1-V5 PolarHBondContact O-N 3.39Å | |||
| 2 | S | 69.2 | Low | 70.7 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 71% | 0.713 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.9 | -33.1 | -174.6 | -161.3 | 0 | 0 | 0 | 0 | 114.3 | V6 | S2-V6 WeakPolarHBondContact O-CG2 3.44Å; S2-V6 PolarHBondContact O-N 2.87Å |
| 3 | S | 69.1 | Low | 70.6 | Confident | 90 Ų | 90 | 107 Ų | 107 | 63% | 0.629 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.2 | -41.1 | 179.4 | -162.7 | 0 | 0 | 0 | 0 | 112.4 | M1 V6 V7 | M1-S3 PolarHBondContact O-N 3.34Å; S3-V6 PolarHBondContact O-N 3.45Å; S3-V7 VanDerWaalsContact O-CG2 3.25Å; S3-V7 WeakPolarHBondContact O-CG2 3.47Å; S3-V7 PolarHBondContact O-N 3.47Å |
| 4 | E | 66.2 | Low | 70.1 | Confident | 131 Ų | 131 | 103.2 Ų | 103.2 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | -179.9 | -70 | 156.9 | 136.9 | 0 | 0 | 111.6 | M1 V6 V7 E8 | M1-E4 PolarHBondContact N-OE2 2.98Å; E4-V6 VanDerWaalsContact C-N 3.28Å; E4-V6 PolarHBondContact O-N 2.91Å; E4-V7 PolarHBondContact O-N 2.98Å; E4-E8 VanDerWaalsContact O-CB 3.26Å; E4-E8 WeakPolarHBondContact O-CB 3.27Å; E4-E8 PolarHBondContact O-N 3.13Å |
| 5 | V | 78.8 | Confident | 69.5 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 177.2 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | M1 A9 | M1-V5 WeakPolarHBondContact O-CG2 3.32Å; M1-V5 PolarHBondContact O-N 3.39Å; V5-A9 WeakPolarHBondContact O-CB 3.37Å; V5-A9 PolarHBondContact O-N 2.86Å |
| 6 | V | 76.9 | Confident | 69 | Low | 73 Ų | 73 | 111.7 Ų | 111.7 | 44% | 0.442 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.6 | -46.8 | 175 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | S2 S3 E4 E8 A9 E10 | S2-V6 WeakPolarHBondContact O-CG2 3.44Å; S2-V6 PolarHBondContact O-N 2.87Å; S3-V6 PolarHBondContact O-N 3.45Å; E4-V6 VanDerWaalsContact C-N 3.28Å; E4-V6 PolarHBondContact O-N 2.91Å; V6-E8 VanDerWaalsContact C-N 3.33Å; V6-E8 PolarHBondContact O-N 2.97Å; V6-A9 PolarHBondContact O-N 3.21Å; V6-E10 HydrophobicContact CG1-CG 4.49Å; V6-E10 WeakPolarHBondContact O-CB 3.33Å; V6-E10 WeakPolarHBondContact O-CG 3.37Å; V6-E10 PolarHBondContact O-N 3.35Å |
| 7 | V | 74.2 | Confident | 68.8 | Low | 82 Ų | 82 | 110.7 Ų | 110.7 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.4 | -44.1 | 176.8 | 171 | 0 | 0 | 0 | 0 | 110.8 | S3 E4 E10 L11 | S3-V7 VanDerWaalsContact O-CG2 3.25Å; S3-V7 WeakPolarHBondContact O-CG2 3.47Å; S3-V7 PolarHBondContact O-N 3.47Å; E4-V7 PolarHBondContact O-N 2.98Å; V7-E10 PolarHBondContact O-N 3.45Å; V7-L11 VanDerWaalsContact O-CB 3.26Å; V7-L11 WeakPolarHBondContact O-CB 3.35Å; V7-L11 PolarHBondContact O-N 2.9Å |
| 8 | E | 74.5 | Confident | 68.5 | Low | 119 Ų | 119 | 107.2 Ų | 107.2 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -39.2 | 178.6 | -165.3 | 173.7 | -165.8 | 0 | 0 | 111.6 | E4 V6 L11 L12 | E4-E8 VanDerWaalsContact O-CB 3.26Å; E4-E8 WeakPolarHBondContact O-CB 3.27Å; E4-E8 PolarHBondContact O-N 3.13Å; V6-E8 VanDerWaalsContact C-N 3.33Å; V6-E8 PolarHBondContact O-N 2.97Å; E8-L11 PolarHBondContact O-N 2.9Å; E8-L12 HydrophobicContact CG-CD1 4.33Å; E8-L12 VanDerWaalsContact O-CB 3.29Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 WeakPolarHBondContact O-CG 3.42Å; E8-L12 PolarHBondContact O-N 3.26Å |
| 9 | A | 75 | Confident | 68.4 | Low | 44 Ų | 44 | 102.2 Ų | 102.2 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V5 V6 R13 | V5-A9 WeakPolarHBondContact O-CB 3.37Å; V5-A9 PolarHBondContact O-N 2.86Å; V6-A9 PolarHBondContact O-N 3.21Å; A9-R13 WeakPolarHBondContact O-CB 3.31Å; A9-R13 VanDerWaalsContact O-CG 3.22Å; A9-R13 WeakPolarHBondContact O-CG 3.06Å; A9-R13 PolarHBondContact O-N 2.89Å |
| 10 | E | 73.5 | Confident | 68.6 | Low | 111 Ų | 111 | 99.6 Ų | 99.6 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 172.7 | -77.7 | -179.8 | 165.9 | 0 | 0 | 110.9 | V6 V7 L12 R13 E14 | V6-E10 HydrophobicContact CG1-CG 4.49Å; V6-E10 WeakPolarHBondContact O-CB 3.33Å; V6-E10 WeakPolarHBondContact O-CG 3.37Å; V6-E10 PolarHBondContact O-N 3.35Å; V7-E10 PolarHBondContact O-N 3.45Å; E10-L12 PolarHBondContact O-N 2.99Å; E10-R13 WeakPolarHBondContact O-CB 3.34Å; E10-R13 PolarHBondContact O-N 3.4Å; E10-R13 VanDerWaalsContact O-N 3.12Å; E10-E14 WeakPolarHBondContact O-CG 3.48Å; E10-E14 PolarHBondContact O-N 3.36Å |
| 11 | L | 68.7 | Low | 69 | Low | 73 Ų | 73 | 97 Ų | 97 | 38% | 0.382 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 176 | -161.6 | 85.7 | 0 | 0 | 0 | 111.2 | V7 E8 R13 E14 M15 F20 | V7-L11 VanDerWaalsContact O-CB 3.26Å; V7-L11 WeakPolarHBondContact O-CB 3.35Å; V7-L11 PolarHBondContact O-N 2.9Å; E8-L11 PolarHBondContact O-N 2.9Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 2.78Å; L11-E14 PolarHBondContact O-N 2.98Å; L11-M15 HydrophobicContact CG-SD 4.5Å; L11-M15 VanDerWaalsContact O-CB 3.32Å; L11-M15 WeakPolarHBondContact O-CB 3.28Å; L11-M15 VanDerWaalsContact O-CG 3.23Å; L11-M15 WeakPolarHBondContact O-CG 3.4Å; L11-M15 PolarHBondContact O-N 3.18Å; L11-F20 HydrophobicContact CD1-CD2 4.21Å; L11-F20 HydrophobicContact CD1-CE2 3.27Å; L11-F20 HydrophobicContact CD1-CZ 3.54Å; L11-F20 HydrophobicContact CG-CE2 4.16Å; L11-F20 HydrophobicContact CG-CZ 4.29Å |
| 12 | L | 70.7 | Confident | 70.4 | Confident | 105 Ų | 105 | 91.7 Ų | 91.7 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 177 | -75 | 169.8 | 0 | 0 | 0 | 112 | E8 E10 R16 | E8-L12 HydrophobicContact CG-CD1 4.33Å; E8-L12 VanDerWaalsContact O-CB 3.29Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 WeakPolarHBondContact O-CG 3.42Å; E8-L12 PolarHBondContact O-N 3.26Å; E10-L12 PolarHBondContact O-N 2.99Å; L12-R16 WeakPolarHBondContact O-CB 3.49Å; L12-R16 PolarHBondContact O-N 2.87Å; L12-R16 VanDerWaalsContact O-N 3.13Å |
| 13 | R | 70.3 | Confident | 71 | Confident | 187 Ų | 187 | 89.5 Ų | 89.5 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.6 | -48.5 | 174.4 | -80.6 | 174.9 | -180 | -175.2 | 1.8 | 111.4 | A9 E10 L11 R16 T17 | A9-R13 WeakPolarHBondContact O-CB 3.31Å; A9-R13 VanDerWaalsContact O-CG 3.22Å; A9-R13 WeakPolarHBondContact O-CG 3.06Å; A9-R13 PolarHBondContact O-N 2.89Å; E10-R13 WeakPolarHBondContact O-CB 3.34Å; E10-R13 PolarHBondContact O-N 3.4Å; E10-R13 VanDerWaalsContact O-N 3.12Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 2.78Å; R13-R16 WeakPolarHBondContact O-CB 3.49Å; R13-R16 PolarHBondContact O-N 2.87Å; R13-R16 VanDerWaalsContact O-N 3.16Å; R13-T17 PolarHBondContact O-N 3.47Å; R13-T17 VanDerWaalsContact O-N 3.13Å; R13-T17 PolarHBondContact O-OG1 3.24Å |
| 14 | E | 63 | Low | 71.6 | Confident | 54 Ų | 54 | 90.1 Ų | 90.1 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 179.8 | -67.7 | -169 | 143.7 | 0 | 0 | 112.1 | E10 L11 R16 T17 G18 F20 R23 | E10-E14 WeakPolarHBondContact O-CG 3.48Å; E10-E14 PolarHBondContact O-N 3.36Å; L11-E14 PolarHBondContact O-N 2.98Å; E14-R16 VanDerWaalsContact C-N 3.27Å; E14-R16 PolarHBondContact O-N 3.32Å; E14-T17 PolarHBondContact O-N 3.5Å; E14-T17 PolarHBondContact O-OG1 3.03Å; E14-T17 VanDerWaalsContact O-OG1 3.1Å; E14-G18 PolarHBondContact O-N 2.91Å; E14-F20 VanDerWaalsContact C-CB 3.44Å; E14-F20 HydrophobicContact CB-CB 3.77Å; E14-F20 HydrophobicContact CB-CD2 4Å; E14-F20 HydrophobicContact CB-CG 4.33Å; E14-F20 VanDerWaalsContact O-CB 3.29Å; E14-F20 WeakPolarHBondContact O-CB 3.24Å; E14-F20 PolarHBondContact O-N 3.38Å; E14-F20 VanDerWaalsContact O-N 3.15Å; E14-F20 WeakPolarHBondContact OE2-CD2 3.45Å; E14-R23 IonicContact OE1-CZ 3.72Å; E14-R23 IonicContact OE1-NH1 3.37Å; E14-R23 PolarHBondContact OE1-NH1 3.32Å |
| 15 | M | 60.7 | Low | 72.4 | Confident | 113 Ų | 113 | 89.2 Ų | 89.2 | 56% | 0.557 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.4 | -37.2 | 173.3 | -77.6 | -176.9 | 72.3 | 0 | 0 | 111.2 | L11 F20 | L11-M15 HydrophobicContact CG-SD 4.5Å; L11-M15 VanDerWaalsContact O-CB 3.32Å; L11-M15 WeakPolarHBondContact O-CB 3.28Å; L11-M15 VanDerWaalsContact O-CG 3.23Å; L11-M15 WeakPolarHBondContact O-CG 3.4Å; L11-M15 PolarHBondContact O-N 3.18Å; M15-F20 HydrophobicContact CG-CB 4.39Å; M15-F20 HydrophobicContact CG-CD1 3.81Å; M15-F20 HydrophobicContact CG-CE1 4.23Å; M15-F20 HydrophobicContact CG-CG 4.08Å |
| 16 | R | 61.9 | Low | 72.9 | Confident | 229 Ų | 229 | 86.6 Ų | 86.6 | 86% | 0.864 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -73.6 | -29.8 | -179.2 | -153.5 | 177.2 | -160.3 | -179.3 | 5.5 | 113 | L12 R13 E14 | L12-R16 WeakPolarHBondContact O-CB 3.49Å; L12-R16 PolarHBondContact O-N 2.87Å; L12-R16 VanDerWaalsContact O-N 3.13Å; R13-R16 WeakPolarHBondContact O-CB 3.49Å; R13-R16 PolarHBondContact O-N 2.87Å; R13-R16 VanDerWaalsContact O-N 3.16Å; E14-R16 VanDerWaalsContact C-N 3.27Å; E14-R16 PolarHBondContact O-N 3.32Å |
| 17 | T | 66.4 | Low | 73.3 | Confident | 95 Ų | 95 | 85 Ų | 85 | 58% | 0.583 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -85.1 | -9.1 | 178.4 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | R13 E14 T19 | R13-T17 PolarHBondContact O-N 3.47Å; R13-T17 VanDerWaalsContact O-N 3.13Å; R13-T17 PolarHBondContact O-OG1 3.24Å; E14-T17 PolarHBondContact O-N 3.5Å; E14-T17 PolarHBondContact O-OG1 3.03Å; E14-T17 VanDerWaalsContact O-OG1 3.1Å; T17-T19 PolarHBondContact O-N 3.35Å; T17-T19 VanDerWaalsContact O-N 3.14Å; T17-T19 WeakPolarHBondContact OG1-CB 3.08Å; T17-T19 PolarHBondContact OG1-N 3.47Å; T17-T19 PolarHBondContact OG1-OG1 3.02Å |
| 18 | G | 63.1 | Low | 73.8 | Confident | 48 Ų | 48 | 83 Ų | 83 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 71.9 | -6.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E14 F20 G21 | E14-G18 PolarHBondContact O-N 2.91Å; G18-F20 VanDerWaalsContact C-N 3.28Å; G18-F20 PolarHBondContact O-N 2.79Å; G18-G21 PolarHBondContact O-N 2.97Å |
| 19 | T | 66.9 | Low | 74.5 | Confident | 12 Ų | 12 | 80.6 Ų | 80.6 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | T17 G21 L22 R23 H322 | T17-T19 PolarHBondContact O-N 3.35Å; T17-T19 VanDerWaalsContact O-N 3.14Å; T17-T19 WeakPolarHBondContact OG1-CB 3.08Å; T17-T19 PolarHBondContact OG1-N 3.47Å; T17-T19 PolarHBondContact OG1-OG1 3.02Å; T19-G21 VanDerWaalsContact C-N 3.35Å; T19-G21 PolarHBondContact O-N 2.95Å; T19-L22 PolarHBondContact O-N 3.03Å; T19-R23 HydrophobicContact CG2-CG 4.12Å; T19-R23 WeakPolarHBondContact O-CG 3.42Å; T19-R23 PolarHBondContact O-N 3.43Å; T19-H322 WeakPolarHBondContact CB-O 3.34Å; T19-H322 HydrophobicContact CG2-CB 3.75Å; T19-H322 WeakPolarHBondContact CG2-O 3.48Å; T19-H322 PolarHBondContact OG1-O 3.33Å |
| 20 | F | 72.5 | Confident | 75.2 | Confident | 50 Ų | 50 | 78.7 Ų | 78.7 | 22% | 0.219 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -53.9 | -51.1 | -179.8 | -171.3 | -109.9 | 0 | 0 | 0 | 111.8 | L11 E14 M15 G18 L22 R23 H24 | L11-F20 HydrophobicContact CD1-CD2 4.21Å; L11-F20 HydrophobicContact CD1-CE2 3.27Å; L11-F20 HydrophobicContact CD1-CZ 3.54Å; L11-F20 HydrophobicContact CG-CE2 4.16Å; L11-F20 HydrophobicContact CG-CZ 4.29Å; E14-F20 VanDerWaalsContact C-CB 3.44Å; E14-F20 HydrophobicContact CB-CB 3.77Å; E14-F20 HydrophobicContact CB-CD2 4Å; E14-F20 HydrophobicContact CB-CG 4.33Å; E14-F20 VanDerWaalsContact O-CB 3.29Å; E14-F20 WeakPolarHBondContact O-CB 3.24Å; E14-F20 PolarHBondContact O-N 3.38Å; E14-F20 VanDerWaalsContact O-N 3.15Å; E14-F20 WeakPolarHBondContact OE2-CD2 3.45Å; M15-F20 HydrophobicContact CG-CB 4.39Å; M15-F20 HydrophobicContact CG-CD1 3.81Å; M15-F20 HydrophobicContact CG-CE1 4.23Å; M15-F20 HydrophobicContact CG-CG 4.08Å; G18-F20 VanDerWaalsContact C-N 3.28Å; G18-F20 PolarHBondContact O-N 2.79Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 3.47Å; F20-R23 PolarHBondContact O-N 3.31Å; F20-H24 AromaticContact CD1-CD2 3.67Å; F20-H24 AromaticContact CD2-CD2 3.77Å; F20-H24 AromaticContact CD2-NE2 3.59Å; F20-H24 AromaticContact CE1-CD2 3.48Å; F20-H24 VanDerWaalsContact CE1-CD2 3.48Å; F20-H24 WeakPolarHBondContact CE1-CD2 3.42Å; F20-H24 AromaticContact CE1-NE2 3.51Å; F20-H24 AromaticContact CE2-CD2 3.58Å; F20-H24 AromaticContact CE2-NE2 2.97Å; F20-H24 WeakPolarHBondContact CE2-NE2 3.41Å; F20-H24 AromaticContact CG-CD2 3.81Å; F20-H24 AromaticContact CZ-CD2 3.44Å; F20-H24 VanDerWaalsContact CZ-CD2 3.44Å; F20-H24 WeakPolarHBondContact CZ-CD2 3.33Å; F20-H24 AromaticContact CZ-NE2 2.93Å; F20-H24 WeakPolarHBondContact CZ-NE2 3.08Å; F20-H24 PolarHBondContact O-CD2 3.22Å; F20-H24 PolarHBondContact O-N 3.02Å |
| 21 | G | 77.2 | Confident | 75.8 | Confident | 45 Ų | 45 | 76 Ų | 76 | 46% | 0.464 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G18 T19 L25 | G18-G21 PolarHBondContact O-N 2.97Å; T19-G21 VanDerWaalsContact C-N 3.35Å; T19-G21 PolarHBondContact O-N 2.95Å; G21-L25 VanDerWaalsContact O-CB 3.3Å; G21-L25 WeakPolarHBondContact O-CB 3.29Å; G21-L25 PolarHBondContact O-N 3.08Å |
| 22 | L | 80.4 | Confident | 76.6 | Confident | 75 Ų | 75 | 79.5 Ų | 79.5 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 178.5 | -175.3 | 65.8 | 0 | 0 | 0 | 112.2 | T19 F20 L25 L26 H322 | T19-L22 PolarHBondContact O-N 3.03Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 3.47Å; L22-L25 PolarHBondContact O-N 2.98Å; L22-L26 VanDerWaalsContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 PolarHBondContact O-N 2.91Å; L22-H322 VanDerWaalsContact CD2-CD2 3.48Å; L22-H322 WeakPolarHBondContact CD2-CD2 3.34Å |
| 23 | R | 82.2 | Confident | 77.6 | Confident | 56 Ų | 56 | 78 Ų | 78 | 21% | 0.211 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 176.3 | -72.2 | -177.5 | 172.4 | -168.6 | -9.9 | 110.9 | E14 T19 F20 L25 L26 D27 Y319 | E14-R23 IonicContact OE1-CZ 3.72Å; E14-R23 IonicContact OE1-NH1 3.37Å; E14-R23 PolarHBondContact OE1-NH1 3.32Å; T19-R23 HydrophobicContact CG2-CG 4.12Å; T19-R23 WeakPolarHBondContact O-CG 3.42Å; T19-R23 PolarHBondContact O-N 3.43Å; F20-R23 PolarHBondContact O-N 3.31Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-L25 PolarHBondContact O-N 3.4Å; R23-L26 WeakPolarHBondContact O-CB 3.26Å; R23-L26 PolarHBondContact O-N 3.34Å; R23-L26 VanDerWaalsContact O-N 3.15Å; R23-D27 PolarHBondContact O-N 2.89Å; R23-Y319 HydrophobicContact CB-CD1 4.39Å; R23-Y319 HydrophobicContact CB-CE1 3.99Å; R23-Y319 HydrophobicContact CG-CD1 3.74Å; R23-Y319 HydrophobicContact CG-CE1 3.86Å; R23-Y319 PolarHBondContact NH2-O 2.96Å |
| 24 | H | 80.5 | Confident | 78.4 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 48% | 0.477 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.1 | -78.2 | -63.5 | 0 | 0 | 0 | 113.5 | F20 L26 G28 | F20-H24 AromaticContact CD1-CD2 3.67Å; F20-H24 AromaticContact CD2-CD2 3.77Å; F20-H24 AromaticContact CD2-NE2 3.59Å; F20-H24 AromaticContact CE1-CD2 3.48Å; F20-H24 VanDerWaalsContact CE1-CD2 3.48Å; F20-H24 WeakPolarHBondContact CE1-CD2 3.42Å; F20-H24 AromaticContact CE1-NE2 3.51Å; F20-H24 AromaticContact CE2-CD2 3.58Å; F20-H24 AromaticContact CE2-NE2 2.97Å; F20-H24 WeakPolarHBondContact CE2-NE2 3.41Å; F20-H24 AromaticContact CG-CD2 3.81Å; F20-H24 AromaticContact CZ-CD2 3.44Å; F20-H24 VanDerWaalsContact CZ-CD2 3.44Å; F20-H24 WeakPolarHBondContact CZ-CD2 3.33Å; F20-H24 AromaticContact CZ-NE2 2.93Å; F20-H24 WeakPolarHBondContact CZ-NE2 3.08Å; F20-H24 PolarHBondContact O-CD2 3.22Å; F20-H24 PolarHBondContact O-N 3.02Å; H24-L26 VanDerWaalsContact C-N 3.35Å; H24-G28 PolarHBondContact O-N 3.35Å |
| 25 | L | 84.2 | Confident | 79.5 | Confident | 112 Ų | 112 | 68.2 Ų | 68.2 | 59% | 0.586 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 174.2 | 179.4 | 65.1 | 0 | 0 | 0 | 111.2 | G21 L22 R23 G28 V29 | G21-L25 VanDerWaalsContact O-CB 3.3Å; G21-L25 WeakPolarHBondContact O-CB 3.29Å; G21-L25 PolarHBondContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 2.98Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-L25 PolarHBondContact O-N 3.4Å; L25-G28 PolarHBondContact O-N 3.32Å; L25-V29 WeakPolarHBondContact O-CG2 3.25Å; L25-V29 PolarHBondContact O-N 3.1Å |
| 26 | L | 87.5 | Confident | 80.8 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.168 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 179.7 | -176.2 | 61.9 | 0 | 0 | 0 | 111.5 | L22 R23 H24 G28 V29 I30 C315 L318 Y319 | L22-L26 VanDerWaalsContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 PolarHBondContact O-N 2.91Å; R23-L26 WeakPolarHBondContact O-CB 3.26Å; R23-L26 PolarHBondContact O-N 3.34Å; R23-L26 VanDerWaalsContact O-N 3.15Å; H24-L26 VanDerWaalsContact C-N 3.35Å; L26-G28 VanDerWaalsContact C-N 3.33Å; L26-G28 PolarHBondContact O-N 3.26Å; L26-V29 PolarHBondContact O-N 2.82Å; L26-I30 HydrophobicContact CD1-CD1 4.49Å; L26-I30 HydrophobicContact CG-CD1 4.19Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.35Å; L26-I30 PolarHBondContact O-N 3.48Å; L26-C315 HydrophobicContact CD1-CB 4.4Å; L26-C315 HydrophobicContact CD2-CB 4.07Å; L26-C315 HydrophobicContact CG-CB 4.47Å; L26-L318 HydrophobicContact CD2-CB 4.22Å; L26-Y319 HydrophobicContact CD2-CD2 3.94Å; L26-Y319 HydrophobicContact CD2-CE1 4.38Å; L26-Y319 HydrophobicContact CD2-CE2 3.44Å; L26-Y319 VanDerWaalsContact CD2-CE2 3.44Å; L26-Y319 HydrophobicContact CG-CE2 4.14Å |
| 27 | D | 86.6 | Confident | 82.2 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 21% | 0.214 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.7 | -46 | 172.5 | -79 | -52.1 | 0 | 0 | 0 | 111.2 | R23 V29 I30 D31 R312 Y319 | R23-D27 PolarHBondContact O-N 2.89Å; D27-V29 VanDerWaalsContact C-N 3.34Å; D27-V29 PolarHBondContact O-N 3.05Å; D27-I30 PolarHBondContact O-N 3.38Å; D27-D31 WeakPolarHBondContact O-CB 3.49Å; D27-D31 PolarHBondContact O-N 3.42Å; D27-R312 IonicContact OD1-NH2 3.21Å; D27-Y319 PolarHBondContact OD1-OH 3.46Å; D27-Y319 PolarHBondContact OD2-OH 3.45Å; D27-Y319 VanDerWaalsContact OD2-OH 3.13Å |
| 28 | G | 84.1 | Confident | 83.3 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H24 L25 L26 F32 | H24-G28 PolarHBondContact O-N 3.35Å; L25-G28 PolarHBondContact O-N 3.32Å; L26-G28 VanDerWaalsContact C-N 3.33Å; L26-G28 PolarHBondContact O-N 3.26Å; G28-F32 VanDerWaalsContact O-CB 3.25Å; G28-F32 WeakPolarHBondContact O-CB 3.29Å; G28-F32 PolarHBondContact O-N 2.93Å |
| 29 | V | 88.6 | Confident | 84.4 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | L25 L26 D27 F32 I33 | L25-V29 WeakPolarHBondContact O-CG2 3.25Å; L25-V29 PolarHBondContact O-N 3.1Å; L26-V29 PolarHBondContact O-N 2.82Å; D27-V29 VanDerWaalsContact C-N 3.34Å; D27-V29 PolarHBondContact O-N 3.05Å; V29-F32 PolarHBondContact O-N 2.84Å; V29-I33 HydrophobicContact CG1-CD1 3.83Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.18Å; V29-I33 PolarHBondContact O-N 3.27Å |
| 30 | I | 89.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 177.3 | -70.3 | 172.2 | 0 | 0 | 0 | 110.2 | L26 D27 F32 I33 A34 Q308 L311 R312 C315 | L26-I30 HydrophobicContact CD1-CD1 4.49Å; L26-I30 HydrophobicContact CG-CD1 4.19Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.35Å; L26-I30 PolarHBondContact O-N 3.48Å; D27-I30 PolarHBondContact O-N 3.38Å; I30-F32 VanDerWaalsContact C-N 3.32Å; I30-F32 PolarHBondContact O-N 2.93Å; I30-I33 PolarHBondContact O-N 3.3Å; I30-A34 VanDerWaalsContact O-CB 3.28Å; I30-A34 WeakPolarHBondContact O-CB 3.34Å; I30-A34 PolarHBondContact O-N 3.44Å; I30-Q308 HydrophobicContact CG2-CB 4.45Å; I30-Q308 HydrophobicContact CG2-CG 3.86Å; I30-L311 HydrophobicContact CB-CB 4.49Å; I30-L311 HydrophobicContact CD1-CB 4.39Å; I30-L311 HydrophobicContact CG1-CB 3.98Å; I30-L311 HydrophobicContact CG2-CB 3.95Å; I30-L311 HydrophobicContact CG2-CD1 4.32Å; I30-R312 HydrophobicContact CD1-CG 4.01Å; I30-R312 HydrophobicContact CG2-CG 4.18Å; I30-C315 HydrophobicContact CD1-CB 4.25Å |
| 31 | D | 86.6 | Confident | 86.6 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | -179.3 | -71.6 | -23.9 | 0 | 0 | 0 | 111.7 | D27 G35 Y304 Q308 | D27-D31 WeakPolarHBondContact O-CB 3.49Å; D27-D31 PolarHBondContact O-N 3.42Å; D31-G35 PolarHBondContact O-N 3.15Å; D31-Y304 PolarHBondContact OD1-OH 3.4Å; D31-Y304 VanDerWaalsContact OD1-OH 3.14Å; D31-Q308 PolarHBondContact OD1-NE2 2.82Å |
| 32 | F | 85.9 | Confident | 87.1 | Confident | 147 Ų | 147 | 50.1 Ų | 50.1 | 65% | 0.645 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 173.3 | 175.9 | -98.7 | 0 | 0 | 0 | 112.5 | G28 V29 I30 G35 T36 | G28-F32 VanDerWaalsContact O-CB 3.25Å; G28-F32 WeakPolarHBondContact O-CB 3.29Å; G28-F32 PolarHBondContact O-N 2.93Å; V29-F32 PolarHBondContact O-N 2.84Å; I30-F32 VanDerWaalsContact C-N 3.32Å; I30-F32 PolarHBondContact O-N 2.93Å; F32-G35 PolarHBondContact O-N 3.41Å; F32-T36 WeakPolarHBondContact O-CB 3.48Å; F32-T36 PolarHBondContact O-N 3.29Å; F32-T36 PolarHBondContact O-OG1 3.07Å |
| 33 | I | 90.9 | Very high | 87.5 | Confident | 74 Ų | 74 | 47.3 Ų | 47.3 | 38% | 0.379 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 179.1 | -65.1 | 167.2 | 0 | 0 | 0 | 110.3 | V29 I30 T36 A37 V307 L311 | V29-I33 HydrophobicContact CG1-CD1 3.83Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.18Å; V29-I33 PolarHBondContact O-N 3.27Å; I30-I33 PolarHBondContact O-N 3.3Å; I33-T36 PolarHBondContact O-N 3.13Å; I33-A37 WeakPolarHBondContact O-CB 3.39Å; I33-A37 PolarHBondContact O-N 3.48Å; I33-V307 HydrophobicContact CG2-CG1 3.99Å; I33-L311 HydrophobicContact CB-CD1 3.89Å; I33-L311 HydrophobicContact CD1-CD1 4.18Å; I33-L311 HydrophobicContact CG2-CD1 3.78Å |
| 34 | A | 88.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I30 T36 A37 G38 Y304 V307 Q308 | I30-A34 VanDerWaalsContact O-CB 3.28Å; I30-A34 WeakPolarHBondContact O-CB 3.34Å; I30-A34 PolarHBondContact O-N 3.44Å; A34-T36 PolarHBondContact O-N 2.9Å; A34-A37 PolarHBondContact O-N 2.7Å; A34-G38 PolarHBondContact O-N 2.91Å; A34-Y304 HydrophobicContact CB-CD2 3.53Å; A34-Y304 HydrophobicContact CB-CE2 3.69Å; A34-Y304 HydrophobicContact CB-CG 4.18Å; A34-V307 HydrophobicContact CB-CB 4.29Å; A34-V307 HydrophobicContact CB-CG1 4.15Å; A34-Q308 HydrophobicContact CB-CB 3.83Å |
| 35 | G | 85.2 | Confident | 88.4 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D31 F32 G38 G39 | D31-G35 PolarHBondContact O-N 3.15Å; F32-G35 PolarHBondContact O-N 3.41Å; G35-G38 PolarHBondContact O-N 2.95Å; G35-G39 PolarHBondContact O-N 2.84Å |
| 36 | T | 89.1 | Confident | 88.6 | Confident | 72 Ų | 72 | 40.3 Ų | 40.3 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 175.1 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | F32 I33 A34 G38 G39 V40 | F32-T36 WeakPolarHBondContact O-CB 3.48Å; F32-T36 PolarHBondContact O-N 3.29Å; F32-T36 PolarHBondContact O-OG1 3.07Å; I33-T36 PolarHBondContact O-N 3.13Å; A34-T36 PolarHBondContact O-N 2.9Å; T36-G38 VanDerWaalsContact C-N 3.33Å; T36-G38 PolarHBondContact O-N 3.12Å; T36-G39 PolarHBondContact O-N 3.09Å; T36-V40 WeakPolarHBondContact O-CG2 3.42Å; T36-V40 PolarHBondContact O-N 3.04Å |
| 37 | A | 90.6 | Very high | 88.5 | Confident | 29 Ų | 29 | 39 Ų | 39 | 24% | 0.24 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I33 A34 V40 A41 V307 | I33-A37 WeakPolarHBondContact O-CB 3.39Å; I33-A37 PolarHBondContact O-N 3.48Å; A34-A37 PolarHBondContact O-N 2.7Å; A37-V40 PolarHBondContact O-N 3.25Å; A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.32Å; A37-V307 HydrophobicContact CB-CB 4.34Å; A37-V307 HydrophobicContact CB-CG1 4.45Å; A37-V307 HydrophobicContact CB-CG2 3.76Å |
| 38 | G | 88.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -50 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A34 G35 T36 V40 A41 A42 L300 | A34-G38 PolarHBondContact O-N 2.91Å; G35-G38 PolarHBondContact O-N 2.95Å; T36-G38 VanDerWaalsContact C-N 3.33Å; T36-G38 PolarHBondContact O-N 3.12Å; G38-V40 VanDerWaalsContact C-N 3.33Å; G38-V40 PolarHBondContact O-N 3.41Å; G38-A41 PolarHBondContact O-N 3.36Å; G38-A42 WeakPolarHBondContact O-CB 3.44Å; G38-A42 PolarHBondContact O-N 3.41Å; G38-L300 WeakPolarHBondContact CA-O 3.41Å; G38-L300 WeakPolarHBondContact O-CA 3.5Å |
| 39 | G | 87.7 | Confident | 88.9 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 19% | 0.186 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | G35 T36 V43 | G35-G39 PolarHBondContact O-N 2.84Å; T36-G39 PolarHBondContact O-N 3.09Å; G39-V43 WeakPolarHBondContact O-CG2 3.43Å; G39-V43 PolarHBondContact O-N 3.06Å |
| 40 | V | 91.9 | Very high | 88.7 | Confident | 54 Ų | 54 | 36.1 Ų | 36.1 | 33% | 0.327 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63 | -50.3 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | T36 A37 G38 A42 V43 Y44 L90 | T36-V40 WeakPolarHBondContact O-CG2 3.42Å; T36-V40 PolarHBondContact O-N 3.04Å; A37-V40 PolarHBondContact O-N 3.25Å; G38-V40 VanDerWaalsContact C-N 3.33Å; G38-V40 PolarHBondContact O-N 3.41Å; V40-A42 VanDerWaalsContact C-N 3.31Å; V40-A42 PolarHBondContact O-N 2.96Å; V40-V43 PolarHBondContact O-N 3.28Å; V40-Y44 HydrophobicContact CG1-CD2 3.76Å; V40-Y44 HydrophobicContact CG1-CE2 3.87Å; V40-Y44 VanDerWaalsContact O-CD2 3.32Å; V40-Y44 WeakPolarHBondContact O-CD2 3.32Å; V40-Y44 PolarHBondContact O-N 3.27Å; V40-Y44 VanDerWaalsContact O-N 3.09Å; V40-L90 HydrophobicContact CG2-CD1 4.09Å; V40-L90 HydrophobicContact CG2-CD2 4.16Å |
| 41 | A | 91.8 | Very high | 88.4 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A37 G38 V43 Y44 A45 A299 A303 | A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.32Å; G38-A41 PolarHBondContact O-N 3.36Å; A41-V43 PolarHBondContact O-N 3.21Å; A41-Y44 PolarHBondContact O-N 2.85Å; A41-A45 VanDerWaalsContact O-CB 3.24Å; A41-A45 WeakPolarHBondContact O-CB 3.42Å; A41-A45 PolarHBondContact O-N 2.84Å; A41-A299 HydrophobicContact CB-CB 4.28Å; A41-A299 WeakPolarHBondContact CB-O 3.33Å; A41-A303 HydrophobicContact CB-CB 3.47Å; A41-A303 VanDerWaalsContact CB-CB 3.47Å |
| 42 | A | 88.7 | Confident | 88.4 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 11% | 0.107 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G38 V40 A45 G46 A296 L300 | G38-A42 WeakPolarHBondContact O-CB 3.44Å; G38-A42 PolarHBondContact O-N 3.41Å; V40-A42 VanDerWaalsContact C-N 3.31Å; V40-A42 PolarHBondContact O-N 2.96Å; A42-A45 PolarHBondContact O-N 3.19Å; A42-G46 PolarHBondContact O-N 3.47Å; A42-A296 WeakPolarHBondContact CA-O 3.32Å; A42-A296 HydrophobicContact CB-CB 4.27Å; A42-A296 WeakPolarHBondContact CB-O 3.31Å; A42-A296 WeakPolarHBondContact O-CB 3.46Å; A42-L300 HydrophobicContact CB-CB 4Å; A42-L300 HydrophobicContact CB-CD1 4.22Å |
| 43 | V | 88.4 | Confident | 88.4 | Confident | 16 Ų | 16 | 28 Ų | 28 | 10% | 0.097 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -47.4 | -179.9 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | G39 V40 A41 A45 G46 Q47 A89 L90 N93 | G39-V43 WeakPolarHBondContact O-CG2 3.43Å; G39-V43 PolarHBondContact O-N 3.06Å; V40-V43 PolarHBondContact O-N 3.28Å; A41-V43 PolarHBondContact O-N 3.21Å; V43-A45 PolarHBondContact O-N 2.96Å; V43-G46 PolarHBondContact O-N 3.41Å; V43-Q47 VanDerWaalsContact O-CB 3.31Å; V43-Q47 WeakPolarHBondContact O-CB 3.38Å; V43-Q47 PolarHBondContact O-N 3.17Å; V43-A89 HydrophobicContact CG1-CB 4.42Å; V43-L90 HydrophobicContact CB-CD1 4.08Å; V43-L90 HydrophobicContact CG1-CB 3.93Å; V43-L90 HydrophobicContact CG1-CD1 4.41Å; V43-L90 HydrophobicContact CG2-CD1 3.82Å; V43-N93 HydrophobicContact CG2-CB 4.22Å |
| 44 | Y | 91 | Very high | 87.8 | Confident | 86 Ų | 86 | 26 Ų | 26 | 34% | 0.337 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.4 | -33.1 | -179.5 | -80.8 | -83.5 | 0 | 0 | 0 | 113 | V40 A41 Y83 L90 | V40-Y44 HydrophobicContact CG1-CD2 3.76Å; V40-Y44 HydrophobicContact CG1-CE2 3.87Å; V40-Y44 VanDerWaalsContact O-CD2 3.32Å; V40-Y44 WeakPolarHBondContact O-CD2 3.32Å; V40-Y44 PolarHBondContact O-N 3.27Å; V40-Y44 VanDerWaalsContact O-N 3.09Å; A41-Y44 PolarHBondContact O-N 2.85Å; Y44-Y83 AromaticContact CD1-CD1 3.78Å; Y44-Y83 HydrophobicContact CD1-CD1 3.78Å; Y44-Y83 AromaticContact CD1-CE1 3.81Å; Y44-Y83 HydrophobicContact CD1-CE1 3.81Å; Y44-Y83 HydrophobicContact CE1-CD1 4.36Å; Y44-Y83 WeakPolarHBondContact O-CE1 3.16Å; Y44-Y83 PolarHBondContact O-OH 3.16Å; Y44-Y83 VanDerWaalsContact O-OH 3.12Å; Y44-L90 HydrophobicContact CE2-CD2 4.26Å |
| 45 | A | 90.5 | Very high | 87.4 | Confident | 37 Ų | 37 | 27.5 Ų | 27.5 | 31% | 0.306 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -70.1 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A41 A42 V43 A299 | A41-A45 VanDerWaalsContact O-CB 3.24Å; A41-A45 WeakPolarHBondContact O-CB 3.42Å; A41-A45 PolarHBondContact O-N 2.84Å; A42-A45 PolarHBondContact O-N 3.19Å; V43-A45 PolarHBondContact O-N 2.96Å; A45-A299 HydrophobicContact CB-CB 3.37Å |
| 46 | G | 88.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -79.5 | -23.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A42 V43 L49 D50 | A42-G46 PolarHBondContact O-N 3.47Å; V43-G46 PolarHBondContact O-N 3.41Å; G46-L49 PolarHBondContact O-N 3.04Å; G46-D50 PolarHBondContact O-N 3.01Å |
| 47 | Q | 86.9 | Confident | 86.7 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.4 | -42.7 | -170.8 | -179.2 | 66 | 21.4 | 0 | 0 | 115.4 | V43 L49 D50 T51 L82 Y83 A84 | V43-Q47 VanDerWaalsContact O-CB 3.31Å; V43-Q47 WeakPolarHBondContact O-CB 3.38Å; V43-Q47 PolarHBondContact O-N 3.17Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.04Å; Q47-D50 PolarHBondContact O-N 3.34Å; Q47-T51 PolarHBondContact O-N 3.49Å; Q47-T51 PolarHBondContact O-OG1 3.49Å; Q47-L82 WeakPolarHBondContact CG-O 3.42Å; Q47-Y83 HydrophobicContact CB-CD1 4.2Å; Q47-Y83 HydrophobicContact CB-CE1 4.26Å; Q47-Y83 HydrophobicContact CG-CD1 4.09Å; Q47-A84 PolarHBondContact NE2-O 2.98Å; Q47-A84 VanDerWaalsContact NE2-O 3.09Å |
| 48 | P | 89.9 | Confident | 86 | Confident | 21 Ų | 21 | 23.6 Ų | 23.6 | 14% | 0.136 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 178 | -25.6 | 36.5 | 0 | 0 | 0 | 112.8 | T51 V52 L82 Y83 | P48-T51 WeakPolarHBondContact O-CB 3.22Å; P48-T51 PolarHBondContact O-N 3.46Å; P48-V52 WeakPolarHBondContact O-CG2 3.38Å; P48-V52 PolarHBondContact O-N 3.33Å; P48-V52 VanDerWaalsContact O-N 3.13Å; P48-L82 HydrophobicContact CB-CB 4.24Å; P48-L82 HydrophobicContact CB-CD2 4.43Å; P48-L82 HydrophobicContact CG-CB 4.46Å; P48-Y83 HydrophobicContact CG-CE2 3.9Å |
| 49 | L | 89 | Confident | 85.5 | Confident | 35 Ų | 35 | 25.8 Ų | 25.8 | 18% | 0.183 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -76 | -34 | 179.3 | -66.5 | 170.1 | 0 | 0 | 0 | 111.7 | G46 Q47 T51 V52 K53 V291 R292 F295 | G46-L49 PolarHBondContact O-N 3.04Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.04Å; L49-T51 VanDerWaalsContact C-N 3.3Å; L49-T51 PolarHBondContact O-N 3.33Å; L49-V52 PolarHBondContact O-N 3.43Å; L49-K53 WeakPolarHBondContact O-CB 3.44Å; L49-K53 PolarHBondContact O-N 2.92Å; L49-V291 HydrophobicContact CD1-CG1 3.98Å; L49-R292 HydrophobicContact CB-CB 3.71Å; L49-R292 HydrophobicContact CB-CG 3.88Å; L49-R292 VanDerWaalsContact CD1-CA 3.47Å; L49-R292 HydrophobicContact CD1-CB 3.7Å; L49-R292 HydrophobicContact CD1-CG 4.31Å; L49-R292 HydrophobicContact CG-CB 4.36Å; L49-F295 HydrophobicContact CD1-CD2 4.17Å |
| 50 | D | 84 | Confident | 84.8 | Confident | 31 Ų | 31 | 26.7 Ų | 26.7 | 17% | 0.166 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 170.3 | -84.7 | -30.8 | 0 | 0 | 0 | 111.7 | G46 Q47 V52 K53 V54 R292 | G46-D50 PolarHBondContact O-N 3.01Å; Q47-D50 PolarHBondContact O-N 3.34Å; D50-V52 VanDerWaalsContact C-N 3.33Å; D50-V52 PolarHBondContact O-N 3.5Å; D50-K53 PolarHBondContact O-N 3.28Å; D50-V54 WeakPolarHBondContact O-CG2 3.39Å; D50-V54 PolarHBondContact O-N 3.35Å; D50-R292 WeakPolarHBondContact OD1-CD 3.45Å; D50-R292 IonicContact OD1-CZ 2.93Å; D50-R292 IonicContact OD1-NE 3.6Å; D50-R292 PolarHBondContact OD1-NE 2.92Å; D50-R292 IonicContact OD1-NH1 3.96Å; D50-R292 PolarHBondContact OD1-NH1 3.37Å; D50-R292 WeakPolarHBondContact OD2-CD 3.39Å; D50-R292 IonicContact OD2-CZ 3.9Å; D50-R292 IonicContact OD2-NH1 3.99Å; D50-R292 PolarHBondContact OD2-NH1 2.98Å; D50-R292 VanDerWaalsContact OD2-NH1 3.11Å |
| 51 | T | 83.5 | Confident | 84.1 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 10% | 0.104 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | Q47 P48 L49 K55 T73 L82 | Q47-T51 PolarHBondContact O-N 3.49Å; Q47-T51 PolarHBondContact O-OG1 3.49Å; P48-T51 WeakPolarHBondContact O-CB 3.22Å; P48-T51 PolarHBondContact O-N 3.46Å; L49-T51 VanDerWaalsContact C-N 3.3Å; L49-T51 PolarHBondContact O-N 3.33Å; T51-K55 HydrophobicContact CG2-CD 4.48Å; T51-K55 WeakPolarHBondContact O-CB 3.33Å; T51-K55 WeakPolarHBondContact O-CG 3.41Å; T51-K55 PolarHBondContact O-N 3.12Å; T51-K55 VanDerWaalsContact O-N 3.14Å; T51-T73 HydrophobicContact CG2-CG2 4.34Å; T51-L82 PolarHBondContact OG1-O 3.02Å |
| 52 | V | 86.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | P48 L49 D50 V54 K55 M56 G66 C69 L70 | P48-V52 WeakPolarHBondContact O-CG2 3.38Å; P48-V52 PolarHBondContact O-N 3.33Å; P48-V52 VanDerWaalsContact O-N 3.13Å; L49-V52 PolarHBondContact O-N 3.43Å; D50-V52 VanDerWaalsContact C-N 3.33Å; D50-V52 PolarHBondContact O-N 3.5Å; V52-V54 PolarHBondContact O-N 2.88Å; V52-K55 PolarHBondContact O-N 3.38Å; V52-M56 HydrophobicContact CG1-CG 4.23Å; V52-M56 HydrophobicContact CG1-SD 3.87Å; V52-M56 WeakPolarHBondContact O-CB 3.45Å; V52-M56 WeakPolarHBondContact O-CG 3.3Å; V52-M56 PolarHBondContact O-N 3.02Å; V52-G66 WeakPolarHBondContact CG1-O 3.19Å; V52-C69 HydrophobicContact CG1-CB 4.03Å; V52-L70 HydrophobicContact CG2-CB 3.83Å; V52-L70 HydrophobicContact CG2-CD1 3.74Å; V52-L70 HydrophobicContact CG2-CG 4.42Å |
| 53 | K | 85.1 | Confident | 83.2 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.5 | -57 | 176.7 | 175 | -166.3 | 167.5 | -179.7 | 0 | 110 | L49 D50 K55 M56 Q57 D252 | L49-K53 WeakPolarHBondContact O-CB 3.44Å; L49-K53 PolarHBondContact O-N 2.92Å; D50-K53 PolarHBondContact O-N 3.28Å; K53-K55 VanDerWaalsContact C-N 3.34Å; K53-K55 PolarHBondContact O-N 2.86Å; K53-M56 PolarHBondContact O-N 2.98Å; K53-Q57 HydrophobicContact CG-CG 4.43Å; K53-Q57 WeakPolarHBondContact O-CB 3.41Å; K53-Q57 VanDerWaalsContact O-CG 3.29Å; K53-Q57 WeakPolarHBondContact O-CG 3.3Å; K53-Q57 PolarHBondContact O-N 3.09Å; K53-D252 IonicContact NZ-OD2 3.68Å; K53-D252 PolarHBondContact NZ-OD2 2.75Å |
| 54 | V | 78.1 | Confident | 82.7 | Confident | 33 Ų | 33 | 44 Ų | 44 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | -176 | 174 | 0 | 0 | 0 | 0 | 111 | D50 V52 Q57 S58 | D50-V54 WeakPolarHBondContact O-CG2 3.39Å; D50-V54 PolarHBondContact O-N 3.35Å; V52-V54 PolarHBondContact O-N 2.88Å; V54-Q57 PolarHBondContact O-N 3Å; V54-S58 WeakPolarHBondContact O-CB 3.29Å; V54-S58 PolarHBondContact O-N 2.99Å; V54-S58 PolarHBondContact O-OG 3.4Å |
| 55 | K | 81.4 | Confident | 82.4 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 14% | 0.135 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.2 | -77.3 | -174.9 | 175.8 | -169.2 | 0 | 113.4 | T51 V52 K53 S58 F59 Y63 C69 T73 | T51-K55 HydrophobicContact CG2-CD 4.48Å; T51-K55 WeakPolarHBondContact O-CB 3.33Å; T51-K55 WeakPolarHBondContact O-CG 3.41Å; T51-K55 PolarHBondContact O-N 3.12Å; T51-K55 VanDerWaalsContact O-N 3.14Å; V52-K55 PolarHBondContact O-N 3.38Å; K53-K55 VanDerWaalsContact C-N 3.34Å; K53-K55 PolarHBondContact O-N 2.86Å; K55-S58 PolarHBondContact O-N 3.22Å; K55-F59 PolarHBondContact O-N 2.8Å; K55-Y63 HydrophobicContact CB-CD2 4.02Å; K55-Y63 HydrophobicContact CB-CE2 4.13Å; K55-Y63 HydrophobicContact CD-CE2 4.31Å; K55-C69 VanDerWaalsContact CB-SG 3.57Å; K55-T73 PolarHBondContact NZ-OG1 3.01Å |
| 56 | M | 82.3 | Confident | 82.2 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 176.3 | -72.4 | -176.8 | 71.2 | 0 | 0 | 111.8 | V52 K53 S58 P60 G66 C69 | V52-M56 HydrophobicContact CG1-CG 4.23Å; V52-M56 HydrophobicContact CG1-SD 3.87Å; V52-M56 WeakPolarHBondContact O-CB 3.45Å; V52-M56 WeakPolarHBondContact O-CG 3.3Å; V52-M56 PolarHBondContact O-N 3.02Å; K53-M56 PolarHBondContact O-N 2.98Å; M56-S58 VanDerWaalsContact C-N 3.32Å; M56-P60 WeakPolarHBondContact O-CA 3.29Å; M56-G66 WeakPolarHBondContact SD-CA 3.3Å; M56-G66 PolarHBondContact SD-N 3Å; M56-G66 VanDerWaalsContact SD-N 3.45Å; M56-C69 HydrophobicContact CG-CB 4.22Å |
| 57 | Q | 76.7 | Confident | 82.2 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 177.3 | -72.1 | 179 | -33.2 | 0 | 0 | 111.5 | K53 V54 | K53-Q57 HydrophobicContact CG-CG 4.43Å; K53-Q57 WeakPolarHBondContact O-CB 3.41Å; K53-Q57 VanDerWaalsContact O-CG 3.29Å; K53-Q57 WeakPolarHBondContact O-CG 3.3Å; K53-Q57 PolarHBondContact O-N 3.09Å; V54-Q57 PolarHBondContact O-N 3Å |
| 58 | S | 74.7 | Confident | 82.3 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.2 | -39.8 | -179.4 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | V54 K55 M56 P60 V260 | V54-S58 WeakPolarHBondContact O-CB 3.29Å; V54-S58 PolarHBondContact O-N 2.99Å; V54-S58 PolarHBondContact O-OG 3.4Å; K55-S58 PolarHBondContact O-N 3.22Å; M56-S58 VanDerWaalsContact C-N 3.32Å; S58-P60 VanDerWaalsContact C-CD 3.44Å; S58-P60 WeakPolarHBondContact O-CD 3.41Å; S58-V260 VanDerWaalsContact O-CG1 3.29Å; S58-V260 WeakPolarHBondContact O-CG1 3.39Å; S58-V260 WeakPolarHBondContact O-CG2 3.45Å |
| 59 | F | 79.1 | Confident | 82.1 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | trans | -128.3 | 64.5 | -174.8 | -51.8 | -79.1 | 0 | 0 | 0 | 111.8 | K55 H61 L62 Y63 E159 | K55-F59 PolarHBondContact O-N 2.8Å; F59-H61 PolarHBondContact O-N 3.29Å; F59-H61 VanDerWaalsContact O-N 3.13Å; F59-L62 HydrophobicContact CB-CB 4.02Å; F59-L62 HydrophobicContact CB-CD1 3.98Å; F59-L62 HydrophobicContact CB-CG 4.24Å; F59-L62 HydrophobicContact CD1-CD1 4.3Å; F59-L62 HydrophobicContact CG-CD1 4.26Å; F59-L62 PolarHBondContact O-N 2.95Å; F59-Y63 HydrophobicContact CB-CD2 4.08Å; F59-Y63 HydrophobicContact CB-CE2 4.4Å; F59-Y63 PolarHBondContact O-N 3.22Å; F59-E159 HydrophobicContact CE2-CB 4.33Å; F59-E159 HydrophobicContact CE2-CG 3.85Å; F59-E159 HydrophobicContact CZ-CB 3.85Å; F59-E159 HydrophobicContact CZ-CG 3.88Å | ||
| 60 | P | 73.2 | Confident | 82.2 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.4 | -174.3 | 24.8 | -34.9 | 0 | 0 | 0 | 113.3 | M56 S58 | M56-P60 WeakPolarHBondContact O-CA 3.29Å; S58-P60 VanDerWaalsContact C-CD 3.44Å; S58-P60 WeakPolarHBondContact O-CD 3.41Å |
| 61 | H | 78 | Confident | 82.6 | Confident | 157 Ų | 157 | 57.2 Ų | 57.2 | 73% | 0.727 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -27.4 | 175.9 | -57.6 | -64.7 | 0 | 0 | 0 | 113.2 | F59 | F59-H61 PolarHBondContact O-N 3.29Å; F59-H61 VanDerWaalsContact O-N 3.13Å |
| 62 | L | 78.7 | Confident | 82.8 | Confident | 124 Ų | 124 | 59.2 Ų | 59.2 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -37.5 | 178 | -65.5 | 178 | 0 | 0 | 0 | 112 | F59 | F59-L62 HydrophobicContact CB-CB 4.02Å; F59-L62 HydrophobicContact CB-CD1 3.98Å; F59-L62 HydrophobicContact CB-CG 4.24Å; F59-L62 HydrophobicContact CD1-CD1 4.3Å; F59-L62 HydrophobicContact CG-CD1 4.26Å; F59-L62 PolarHBondContact O-N 2.95Å |
| 63 | Y | 81.7 | Confident | 82.8 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | trans | -123.3 | 80.1 | -172.6 | -59.7 | -62.3 | 0 | 0 | 0 | 112 | K55 F59 C69 E72 | K55-Y63 HydrophobicContact CB-CD2 4.02Å; K55-Y63 HydrophobicContact CB-CE2 4.13Å; K55-Y63 HydrophobicContact CD-CE2 4.31Å; F59-Y63 HydrophobicContact CB-CD2 4.08Å; F59-Y63 HydrophobicContact CB-CE2 4.4Å; F59-Y63 PolarHBondContact O-N 3.22Å; Y63-C69 HydrophobicContact CD1-CB 3.72Å; Y63-C69 HydrophobicContact CE1-CB 4.45Å; Y63-C69 HydrophobicContact CG-CB 3.93Å; Y63-E72 HydrophobicContact CE1-CB 4.16Å | ||
| 64 | K | 78.8 | Confident | 83 | Confident | 179 Ų | 179 | 63.6 Ų | 63.6 | 78% | 0.778 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -73.6 | -25.8 | 177.8 | -62.7 | -173.8 | -179.6 | -178.2 | 0 | 113.9 | ||
| 65 | N | 84.4 | Confident | 83.6 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -126.6 | 131.8 | -176.7 | -174.7 | -31.4 | 0 | 0 | 0 | 109.9 | F67 T68 C69 | N65-F67 VanDerWaalsContact C-N 3.27Å; N65-F67 PolarHBondContact O-N 2.81Å; N65-F67 WeakPolarHBondContact OD1-CB 3.13Å; N65-F67 PolarHBondContact OD1-N 3.14Å; N65-T68 PolarHBondContact O-N 3.37Å; N65-C69 PolarHBondContact O-N 3.39Å |
| 66 | G | 85.5 | Confident | 83.7 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V52 M56 C69 L70 | V52-G66 WeakPolarHBondContact CG1-O 3.19Å; M56-G66 WeakPolarHBondContact SD-CA 3.3Å; M56-G66 PolarHBondContact SD-N 3Å; M56-G66 VanDerWaalsContact SD-N 3.45Å; G66-C69 PolarHBondContact O-N 3.33Å; G66-L70 WeakPolarHBondContact O-CB 3.44Å; G66-L70 PolarHBondContact O-N 2.99Å |
| 67 | F | 88.8 | Confident | 83.5 | Confident | 143 Ų | 143 | 76.3 Ų | 76.3 | 63% | 0.627 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.8 | -44.2 | 175.5 | -174.8 | -96.7 | 0 | 0 | 0 | 111.9 | N65 C69 L70 W71 | N65-F67 VanDerWaalsContact C-N 3.27Å; N65-F67 PolarHBondContact O-N 2.81Å; N65-F67 WeakPolarHBondContact OD1-CB 3.13Å; N65-F67 PolarHBondContact OD1-N 3.14Å; F67-C69 VanDerWaalsContact C-N 3.32Å; F67-C69 PolarHBondContact O-N 3.24Å; F67-L70 WeakPolarHBondContact O-CB 3.37Å; F67-L70 PolarHBondContact O-N 3.33Å; F67-W71 WeakPolarHBondContact O-CB 3.15Å; F67-W71 PolarHBondContact O-N 3Å |
| 68 | T | 88.2 | Confident | 84 | Confident | 65 Ų | 65 | 84.3 Ų | 84.3 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.8 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | N65 L70 W71 E72 | N65-T68 PolarHBondContact O-N 3.37Å; T68-L70 PolarHBondContact O-N 3.48Å; T68-W71 PolarHBondContact O-N 3.11Å; T68-E72 HydrophobicContact CG2-CG 4.34Å; T68-E72 WeakPolarHBondContact O-CB 3.5Å; T68-E72 VanDerWaalsContact O-CG 3.32Å; T68-E72 WeakPolarHBondContact O-CG 3.49Å; T68-E72 PolarHBondContact O-N 3.07Å |
| 69 | C | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | V52 K55 M56 Y63 N65 G66 F67 T73 | V52-C69 HydrophobicContact CG1-CB 4.03Å; K55-C69 VanDerWaalsContact CB-SG 3.57Å; M56-C69 HydrophobicContact CG-CB 4.22Å; Y63-C69 HydrophobicContact CD1-CB 3.72Å; Y63-C69 HydrophobicContact CE1-CB 4.45Å; Y63-C69 HydrophobicContact CG-CB 3.93Å; N65-C69 PolarHBondContact O-N 3.39Å; G66-C69 PolarHBondContact O-N 3.33Å; F67-C69 VanDerWaalsContact C-N 3.32Å; F67-C69 PolarHBondContact O-N 3.24Å; C69-T73 VanDerWaalsContact O-CB 3.28Å; C69-T73 WeakPolarHBondContact O-CB 3.28Å; C69-T73 PolarHBondContact O-N 3.13Å; C69-T73 PolarHBondContact O-OG1 3.47Å |
| 70 | L | 90.3 | Very high | 84.9 | Confident | 55 Ų | 55 | 94.9 Ų | 94.9 | 29% | 0.288 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 177.1 | -175.3 | 72.1 | 0 | 0 | 0 | 110.6 | V52 G66 F67 T68 T73 Y74 L82 | V52-L70 HydrophobicContact CG2-CB 3.83Å; V52-L70 HydrophobicContact CG2-CD1 3.74Å; V52-L70 HydrophobicContact CG2-CG 4.42Å; G66-L70 WeakPolarHBondContact O-CB 3.44Å; G66-L70 PolarHBondContact O-N 2.99Å; F67-L70 WeakPolarHBondContact O-CB 3.37Å; F67-L70 PolarHBondContact O-N 3.33Å; T68-L70 PolarHBondContact O-N 3.48Å; L70-T73 PolarHBondContact O-N 3.04Å; L70-Y74 WeakPolarHBondContact O-CB 3.42Å; L70-Y74 PolarHBondContact O-N 3.38Å; L70-L82 HydrophobicContact CD1-CD1 4.44Å; L70-L82 HydrophobicContact CD1-CD2 3.7Å |
| 71 | W | 92.6 | Very high | 85.2 | Confident | 126 Ų | 126 | 93.6 Ų | 93.6 | 48% | 0.477 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | -178.5 | -174.4 | -115 | 0 | 0 | 0 | 112.8 | F67 T68 T73 Y74 K75 | F67-W71 WeakPolarHBondContact O-CB 3.15Å; F67-W71 PolarHBondContact O-N 3Å; T68-W71 PolarHBondContact O-N 3.11Å; W71-T73 VanDerWaalsContact C-N 3.35Å; W71-T73 PolarHBondContact O-N 3.44Å; W71-Y74 PolarHBondContact O-N 2.94Å; W71-K75 WeakPolarHBondContact O-CG 3.4Å; W71-K75 PolarHBondContact O-N 3.36Å |
| 72 | E | 88.2 | Confident | 85.6 | Confident | 59 Ų | 59 | 86.9 Ų | 86.9 | 28% | 0.276 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 175.7 | -75.5 | -61.7 | 134.6 | 0 | 0 | 111.8 | Y63 T68 K75 R76 | Y63-E72 HydrophobicContact CE1-CB 4.16Å; T68-E72 HydrophobicContact CG2-CG 4.34Å; T68-E72 WeakPolarHBondContact O-CB 3.5Å; T68-E72 VanDerWaalsContact O-CG 3.32Å; T68-E72 WeakPolarHBondContact O-CG 3.49Å; T68-E72 PolarHBondContact O-N 3.07Å; E72-K75 PolarHBondContact O-N 3.35Å; E72-R76 WeakPolarHBondContact O-CB 3.4Å; E72-R76 VanDerWaalsContact O-CG 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.08Å; E72-R76 IonicContact OE2-NE 2.82Å |
| 73 | T | 86.2 | Confident | 86 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.012 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.4 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | T51 K55 C69 L70 W71 R76 G77 L82 | T51-T73 HydrophobicContact CG2-CG2 4.34Å; K55-T73 PolarHBondContact NZ-OG1 3.01Å; C69-T73 VanDerWaalsContact O-CB 3.28Å; C69-T73 WeakPolarHBondContact O-CB 3.28Å; C69-T73 PolarHBondContact O-N 3.13Å; C69-T73 PolarHBondContact O-OG1 3.47Å; L70-T73 PolarHBondContact O-N 3.04Å; W71-T73 VanDerWaalsContact C-N 3.35Å; W71-T73 PolarHBondContact O-N 3.44Å; T73-R76 PolarHBondContact O-N 3.44Å; T73-G77 PolarHBondContact O-N 3.01Å; T73-L82 HydrophobicContact CG2-CD2 3.7Å; T73-L82 HydrophobicContact CG2-CG 4.34Å |
| 74 | Y | 89.5 | Confident | 85.8 | Confident | 107 Ų | 107 | 85.6 Ų | 85.6 | 42% | 0.42 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.3 | -179.4 | -96.3 | 0 | 0 | 0 | 112 | L70 W71 R76 R78 I79 L82 | L70-Y74 WeakPolarHBondContact O-CB 3.42Å; L70-Y74 PolarHBondContact O-N 3.38Å; W71-Y74 PolarHBondContact O-N 2.94Å; Y74-R76 PolarHBondContact O-N 3.09Å; Y74-R78 WeakPolarHBondContact O-CA 3.49Å; Y74-R78 PolarHBondContact O-N 3Å; Y74-I79 HydrophobicContact CE2-CG1 4.42Å; Y74-L82 HydrophobicContact CD2-CD1 4.23Å |
| 75 | K | 89.6 | Confident | 85.6 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.6 | -43 | 176.5 | -81.8 | -178.8 | 164.7 | 179 | 0 | 112.8 | W71 E72 | W71-K75 WeakPolarHBondContact O-CG 3.4Å; W71-K75 PolarHBondContact O-N 3.36Å; E72-K75 PolarHBondContact O-N 3.35Å |
| 76 | R | 82.9 | Confident | 85.6 | Confident | 179 Ų | 179 | 75.2 Ų | 75.2 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -74.7 | -41.1 | -176.5 | -69.3 | 177.3 | -173.3 | -161.4 | 0.5 | 113.7 | E72 T73 Y74 | E72-R76 WeakPolarHBondContact O-CB 3.4Å; E72-R76 VanDerWaalsContact O-CG 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.08Å; E72-R76 IonicContact OE2-NE 2.82Å; T73-R76 PolarHBondContact O-N 3.44Å; Y74-R76 PolarHBondContact O-N 3.09Å |
| 77 | G | 78.6 | Confident | 85.4 | Confident | 31 Ų | 31 | 79.6 Ų | 79.6 | 32% | 0.32 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -129.8 | 0.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | T73 K80 G81 | T73-G77 PolarHBondContact O-N 3.01Å; G77-K80 PolarHBondContact O-N 3.04Å; G77-G81 PolarHBondContact O-N 3.12Å |
| 78 | R | 87.6 | Confident | 84.9 | Confident | 185 Ų | 185 | 75.4 Ų | 75.4 | 70% | 0.698 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | 50.2 | -148.3 | -171.3 | -59 | -175.1 | 174.1 | -176.8 | -1.9 | 111.3 | Y74 K80 G81 L82 | Y74-R78 WeakPolarHBondContact O-CA 3.49Å; Y74-R78 PolarHBondContact O-N 3Å; R78-K80 VanDerWaalsContact C-N 3.25Å; R78-K80 PolarHBondContact O-N 3.44Å; R78-G81 PolarHBondContact O-N 3.15Å; R78-G81 VanDerWaalsContact O-N 3.09Å; R78-L82 PolarHBondContact O-N 3.29Å |
| 79 | I | 88 | Confident | 84.6 | Confident | 109 Ų | 109 | 73 Ų | 73 | 56% | 0.559 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.1 | -36.7 | 179 | -61.8 | 167.7 | 0 | 0 | 0 | 111.2 | Y74 G81 L82 Y83 | Y74-I79 HydrophobicContact CE2-CG1 4.42Å; I79-G81 PolarHBondContact O-N 2.99Å; I79-L82 PolarHBondContact O-N 3.36Å; I79-L82 VanDerWaalsContact O-N 3.12Å; I79-Y83 HydrophobicContact CG2-CD2 3.63Å; I79-Y83 HydrophobicContact CG2-CE2 3.99Å; I79-Y83 WeakPolarHBondContact O-CD2 3.22Å; I79-Y83 PolarHBondContact O-N 2.93Å |
| 80 | K | 84.3 | Confident | 84.5 | Confident | 186 Ų | 186 | 74.1 Ų | 74.1 | 81% | 0.809 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.2 | -32.3 | 177.4 | -67 | -174 | 179 | -177.5 | 0 | 112.6 | G77 R78 A84 | G77-K80 PolarHBondContact O-N 3.04Å; R78-K80 VanDerWaalsContact C-N 3.25Å; R78-K80 PolarHBondContact O-N 3.44Å; K80-A84 WeakPolarHBondContact O-CB 3.38Å; K80-A84 PolarHBondContact O-N 2.98Å; K80-A84 VanDerWaalsContact O-N 3.15Å |
| 81 | G | 79.7 | Confident | 84.3 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.4 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | G77 R78 I79 A84 | G77-G81 PolarHBondContact O-N 3.12Å; R78-G81 PolarHBondContact O-N 3.15Å; R78-G81 VanDerWaalsContact O-N 3.09Å; I79-G81 PolarHBondContact O-N 2.99Å; G81-A84 WeakPolarHBondContact O-CB 3.46Å |
| 82 | L | 85.8 | Confident | 83.9 | Confident | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.4 | -32.6 | 179.9 | -65.5 | 173.9 | 0 | 0 | 0 | 113 | Q47 P48 T51 L70 T73 Y74 R78 I79 | Q47-L82 WeakPolarHBondContact CG-O 3.42Å; P48-L82 HydrophobicContact CB-CB 4.24Å; P48-L82 HydrophobicContact CB-CD2 4.43Å; P48-L82 HydrophobicContact CG-CB 4.46Å; T51-L82 PolarHBondContact OG1-O 3.02Å; L70-L82 HydrophobicContact CD1-CD1 4.44Å; L70-L82 HydrophobicContact CD1-CD2 3.7Å; T73-L82 HydrophobicContact CG2-CD2 3.7Å; T73-L82 HydrophobicContact CG2-CG 4.34Å; Y74-L82 HydrophobicContact CD2-CD1 4.23Å; R78-L82 PolarHBondContact O-N 3.29Å; I79-L82 PolarHBondContact O-N 3.36Å; I79-L82 VanDerWaalsContact O-N 3.12Å |
| 83 | Y | 87.3 | Confident | 83.7 | Confident | 82 Ų | 82 | 69.8 Ų | 69.8 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 5.7 | 179.3 | -75.6 | -91.4 | 0 | 0 | 0 | 113.6 | Y44 Q47 P48 I79 G85 S86 | Y44-Y83 AromaticContact CD1-CD1 3.78Å; Y44-Y83 HydrophobicContact CD1-CD1 3.78Å; Y44-Y83 AromaticContact CD1-CE1 3.81Å; Y44-Y83 HydrophobicContact CD1-CE1 3.81Å; Y44-Y83 HydrophobicContact CE1-CD1 4.36Å; Y44-Y83 WeakPolarHBondContact O-CE1 3.16Å; Y44-Y83 PolarHBondContact O-OH 3.16Å; Y44-Y83 VanDerWaalsContact O-OH 3.12Å; Q47-Y83 HydrophobicContact CB-CD1 4.2Å; Q47-Y83 HydrophobicContact CB-CE1 4.26Å; Q47-Y83 HydrophobicContact CG-CD1 4.09Å; P48-Y83 HydrophobicContact CG-CE2 3.9Å; I79-Y83 HydrophobicContact CG2-CD2 3.63Å; I79-Y83 HydrophobicContact CG2-CE2 3.99Å; I79-Y83 WeakPolarHBondContact O-CD2 3.22Å; I79-Y83 PolarHBondContact O-N 2.93Å; Y83-G85 PolarHBondContact O-N 2.85Å; Y83-S86 WeakPolarHBondContact O-CB 3.23Å; Y83-S86 PolarHBondContact O-N 2.69Å; Y83-S86 VanDerWaalsContact O-N 3.13Å; Y83-S86 PolarHBondContact O-OG 3.44Å |
| 84 | A | 77.6 | Confident | 83.8 | Confident | 26 Ų | 26 | 73.3 Ų | 73.3 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 122.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q47 K80 G81 | Q47-A84 PolarHBondContact NE2-O 2.98Å; Q47-A84 VanDerWaalsContact NE2-O 3.09Å; K80-A84 WeakPolarHBondContact O-CB 3.38Å; K80-A84 PolarHBondContact O-N 2.98Å; K80-A84 VanDerWaalsContact O-N 3.15Å; G81-A84 WeakPolarHBondContact O-CB 3.46Å |
| 85 | G | 75.9 | Confident | 83.8 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 10.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y83 L87 P88 A89 | Y83-G85 PolarHBondContact O-N 2.85Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 3.37Å; G85-P88 WeakPolarHBondContact O-CD 3.47Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 3.49Å |
| 86 | S | 82.7 | Confident | 83.7 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 11% | 0.112 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 176.4 | 62.3 | 0 | 0 | 0 | 0 | 113 | Y83 A89 L90 | Y83-S86 WeakPolarHBondContact O-CB 3.23Å; Y83-S86 PolarHBondContact O-N 2.69Å; Y83-S86 VanDerWaalsContact O-N 3.13Å; Y83-S86 PolarHBondContact O-OG 3.44Å; S86-A89 WeakPolarHBondContact O-CB 3.24Å; S86-A89 PolarHBondContact O-N 2.89Å; S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 3.33Å |
| 87 | L | 81.4 | Confident | 83.8 | Confident | 109 Ų | 109 | 58.6 Ų | 58.6 | 57% | 0.571 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.8 | -51.6 | -179.3 | 177.1 | 66.3 | 0 | 0 | 0 | 112.2 | G85 A89 L90 T91 | G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 3.37Å; L87-A89 PolarHBondContact O-N 3.08Å; L87-L90 PolarHBondContact O-N 3.04Å; L87-L90 VanDerWaalsContact O-N 3.15Å; L87-T91 PolarHBondContact O-N 2.89Å; L87-T91 PolarHBondContact O-OG1 3.29Å; L87-T91 VanDerWaalsContact O-OG1 3.12Å |
| 88 | P | 79.7 | Confident | 84.3 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.2 | -39.3 | 170.7 | -28.1 | 33.7 | 0 | 0 | 0 | 113.7 | G85 A92 | G85-P88 WeakPolarHBondContact O-CD 3.47Å; P88-A92 VanDerWaalsContact O-CB 3.31Å; P88-A92 WeakPolarHBondContact O-CB 2.93Å; P88-A92 PolarHBondContact O-N 2.93Å |
| 89 | A | 81.1 | Confident | 84.4 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 12% | 0.124 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V43 G85 S86 L87 A92 N93 | V43-A89 HydrophobicContact CG1-CB 4.42Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 3.49Å; S86-A89 WeakPolarHBondContact O-CB 3.24Å; S86-A89 PolarHBondContact O-N 2.89Å; L87-A89 PolarHBondContact O-N 3.08Å; A89-A92 PolarHBondContact O-N 3.1Å; A89-N93 WeakPolarHBondContact O-CB 3.45Å; A89-N93 PolarHBondContact O-N 2.98Å |
| 90 | L | 85.9 | Confident | 84.4 | Confident | 23 Ų | 23 | 48.9 Ų | 48.9 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 175.4 | 177.4 | 61.8 | 0 | 0 | 0 | 111.3 | V40 V43 Y44 S86 L87 A92 N93 V94 | V40-L90 HydrophobicContact CG2-CD1 4.09Å; V40-L90 HydrophobicContact CG2-CD2 4.16Å; V43-L90 HydrophobicContact CB-CD1 4.08Å; V43-L90 HydrophobicContact CG1-CB 3.93Å; V43-L90 HydrophobicContact CG1-CD1 4.41Å; V43-L90 HydrophobicContact CG2-CD1 3.82Å; Y44-L90 HydrophobicContact CE2-CD2 4.26Å; S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 3.33Å; L87-L90 PolarHBondContact O-N 3.04Å; L87-L90 VanDerWaalsContact O-N 3.15Å; L90-A92 VanDerWaalsContact C-N 3.34Å; L90-A92 PolarHBondContact O-N 3.44Å; L90-N93 PolarHBondContact O-N 3.41Å; L90-V94 HydrophobicContact CD1-CG2 4.03Å; L90-V94 HydrophobicContact CG-CG2 4.46Å; L90-V94 WeakPolarHBondContact O-CG2 3.37Å; L90-V94 PolarHBondContact O-N 3.41Å |
| 91 | T | 85.8 | Confident | 84.4 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | L87 A95 | L87-T91 PolarHBondContact O-N 2.89Å; L87-T91 PolarHBondContact O-OG1 3.29Å; L87-T91 VanDerWaalsContact O-OG1 3.12Å; T91-A95 VanDerWaalsContact O-CB 3.28Å; T91-A95 WeakPolarHBondContact O-CB 3.37Å; T91-A95 PolarHBondContact O-N 3.45Å |
| 92 | A | 84 | Confident | 84.7 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P88 A89 L90 V94 A95 E96 T147 | P88-A92 VanDerWaalsContact O-CB 3.31Å; P88-A92 WeakPolarHBondContact O-CB 2.93Å; P88-A92 PolarHBondContact O-N 2.93Å; A89-A92 PolarHBondContact O-N 3.1Å; L90-A92 VanDerWaalsContact C-N 3.34Å; L90-A92 PolarHBondContact O-N 3.44Å; A92-V94 PolarHBondContact O-N 2.98Å; A92-A95 PolarHBondContact O-N 3.39Å; A92-E96 WeakPolarHBondContact O-CB 3.48Å; A92-E96 PolarHBondContact O-N 3.11Å; A92-T147 HydrophobicContact CB-CG2 4.37Å |
| 93 | N | 85.1 | Confident | 85 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | -179.9 | -175.4 | 67.8 | 0 | 0 | 0 | 112.7 | V43 A89 L90 N97 | V43-N93 HydrophobicContact CG2-CB 4.22Å; A89-N93 WeakPolarHBondContact O-CB 3.45Å; A89-N93 PolarHBondContact O-N 2.98Å; L90-N93 PolarHBondContact O-N 3.41Å; N93-N97 PolarHBondContact ND2-ND2 3.48Å; N93-N97 WeakPolarHBondContact O-CB 3.39Å; N93-N97 PolarHBondContact O-N 3.23Å; N93-N97 PolarHBondContact O-ND2 2.93Å; N93-N97 PolarHBondContact OD1-ND2 3.27Å; N93-N97 VanDerWaalsContact OD1-ND2 3.14Å |
| 94 | V | 87.7 | Confident | 85.1 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 176.2 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | L90 A92 E96 N97 S98 | L90-V94 HydrophobicContact CD1-CG2 4.03Å; L90-V94 HydrophobicContact CG-CG2 4.46Å; L90-V94 WeakPolarHBondContact O-CG2 3.37Å; L90-V94 PolarHBondContact O-N 3.41Å; A92-V94 PolarHBondContact O-N 2.98Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.93Å; V94-N97 PolarHBondContact O-N 3.37Å; V94-S98 WeakPolarHBondContact O-CB 3.42Å; V94-S98 PolarHBondContact O-N 2.81Å; V94-S98 PolarHBondContact O-OG 3.36Å |
| 95 | A | 88.4 | Confident | 85.5 | Confident | 32 Ų | 32 | 47 Ų | 47 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T91 A92 V99 V143 | T91-A95 VanDerWaalsContact O-CB 3.28Å; T91-A95 WeakPolarHBondContact O-CB 3.37Å; T91-A95 PolarHBondContact O-N 3.45Å; A92-A95 PolarHBondContact O-N 3.39Å; A95-V99 WeakPolarHBondContact O-CG2 3.33Å; A95-V99 PolarHBondContact O-N 2.83Å; A95-V99 VanDerWaalsContact O-N 3.15Å; A95-V143 HydrophobicContact CB-CG1 3.38Å |
| 96 | E | 87.8 | Confident | 86.3 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -56.1 | 172.7 | -176.3 | -171.4 | 169.8 | 0 | 0 | 111.4 | A92 V94 S98 V99 L100 A140 Y204 | A92-E96 WeakPolarHBondContact O-CB 3.48Å; A92-E96 PolarHBondContact O-N 3.11Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.93Å; E96-S98 VanDerWaalsContact C-N 3.34Å; E96-S98 PolarHBondContact O-N 3.24Å; E96-V99 PolarHBondContact O-N 3.42Å; E96-L100 WeakPolarHBondContact O-CB 3.23Å; E96-L100 PolarHBondContact O-N 2.88Å; E96-A140 HydrophobicContact CG-CB 4.12Å; E96-Y204 PolarHBondContact OE1-OH 3.45Å |
| 97 | N | 86.1 | Confident | 86.8 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | -178.1 | -76.8 | -62.8 | 0 | 0 | 0 | 111.7 | N93 V94 V99 L100 F101 | N93-N97 PolarHBondContact ND2-ND2 3.48Å; N93-N97 WeakPolarHBondContact O-CB 3.39Å; N93-N97 PolarHBondContact O-N 3.23Å; N93-N97 PolarHBondContact O-ND2 2.93Å; N93-N97 PolarHBondContact OD1-ND2 3.27Å; N93-N97 VanDerWaalsContact OD1-ND2 3.14Å; V94-N97 PolarHBondContact O-N 3.37Å; N97-V99 PolarHBondContact O-N 3.03Å; N97-L100 PolarHBondContact O-N 3.11Å; N97-F101 HydrophobicContact CB-CD2 4.32Å; N97-F101 HydrophobicContact CB-CE2 4.32Å; N97-F101 WeakPolarHBondContact O-CD2 3.32Å; N97-F101 PolarHBondContact O-N 3.48Å |
| 98 | S | 87.5 | Confident | 87.3 | Confident | 72 Ų | 72 | 44 Ų | 44 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 177.4 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | V94 E96 A102 | V94-S98 WeakPolarHBondContact O-CB 3.42Å; V94-S98 PolarHBondContact O-N 2.81Å; V94-S98 PolarHBondContact O-OG 3.36Å; E96-S98 VanDerWaalsContact C-N 3.34Å; E96-S98 PolarHBondContact O-N 3.24Å; S98-A102 VanDerWaalsContact O-CB 3.29Å; S98-A102 WeakPolarHBondContact O-CB 2.9Å; S98-A102 PolarHBondContact O-N 2.95Å; S98-A102 VanDerWaalsContact O-N 3.09Å |
| 99 | V | 89.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.9 | -40.8 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | A95 E96 N97 A102 A103 F139 V143 | A95-V99 WeakPolarHBondContact O-CG2 3.33Å; A95-V99 PolarHBondContact O-N 2.83Å; A95-V99 VanDerWaalsContact O-N 3.15Å; E96-V99 PolarHBondContact O-N 3.42Å; N97-V99 PolarHBondContact O-N 3.03Å; V99-A102 PolarHBondContact O-N 3.45Å; V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 2.85Å; V99-F139 VanDerWaalsContact CG1-C 3.46Å; V99-F139 HydrophobicContact CG1-CB 3.69Å; V99-F139 WeakPolarHBondContact CG1-O 3.32Å; V99-V143 HydrophobicContact CB-CG2 4.43Å; V99-V143 HydrophobicContact CG2-CG2 3.69Å |
| 100 | L | 88.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -52.3 | 177.2 | -176.5 | 77.8 | 0 | 0 | 0 | 111 | E96 N97 A102 A103 Y104 A136 A140 Y204 F208 | E96-L100 WeakPolarHBondContact O-CB 3.23Å; E96-L100 PolarHBondContact O-N 2.88Å; N97-L100 PolarHBondContact O-N 3.11Å; L100-A102 PolarHBondContact O-N 3.02Å; L100-A103 PolarHBondContact O-N 2.88Å; L100-Y104 WeakPolarHBondContact O-CB 3.45Å; L100-Y104 PolarHBondContact O-N 2.94Å; L100-A136 HydrophobicContact CD1-CB 4.01Å; L100-A140 HydrophobicContact CB-CB 4.22Å; L100-A140 HydrophobicContact CD1-CB 4.22Å; L100-Y204 HydrophobicContact CD1-CD1 4.12Å; L100-Y204 HydrophobicContact CD1-CE1 3.88Å; L100-Y204 HydrophobicContact CD1-CE2 4.26Å; L100-Y204 HydrophobicContact CD1-CG 4.43Å; L100-Y204 HydrophobicContact CD2-CD1 4.05Å; L100-Y204 HydrophobicContact CD2-CE1 3.23Å; L100-Y204 HydrophobicContact CG-CE1 4.18Å; L100-F208 HydrophobicContact CD2-CE2 4.5Å; L100-F208 HydrophobicContact CD2-CZ 4.49Å |
| 101 | F | 83.7 | Confident | 88.9 | Confident | 137 Ų | 137 | 50.6 Ų | 50.6 | 60% | 0.601 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.2 | -39.6 | -178.9 | -78.2 | -64.3 | 0 | 0 | 0 | 112.4 | N97 Y104 | N97-F101 HydrophobicContact CB-CD2 4.32Å; N97-F101 HydrophobicContact CB-CE2 4.32Å; N97-F101 WeakPolarHBondContact O-CD2 3.32Å; N97-F101 PolarHBondContact O-N 3.48Å; F101-Y104 PolarHBondContact O-N 3.43Å |
| 102 | A | 87 | Confident | 89.2 | Confident | 76 Ų | 76 | 46.8 Ų | 46.8 | 63% | 0.628 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S98 V99 L100 | S98-A102 VanDerWaalsContact O-CB 3.29Å; S98-A102 WeakPolarHBondContact O-CB 2.9Å; S98-A102 PolarHBondContact O-N 2.95Å; S98-A102 VanDerWaalsContact O-N 3.09Å; V99-A102 PolarHBondContact O-N 3.45Å; L100-A102 PolarHBondContact O-N 3.02Å |
| 103 | A | 92.2 | Very high | 89.7 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.1 | -34.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V99 L100 G105 A106 C107 A136 F139 | V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 2.85Å; L100-A103 PolarHBondContact O-N 2.88Å; A103-G105 PolarHBondContact O-N 2.65Å; A103-A106 PolarHBondContact O-N 3.1Å; A103-C107 WeakPolarHBondContact O-CB 3.35Å; A103-C107 PolarHBondContact O-N 2.93Å; A103-C107 PolarHBondContact O-SG 3.44Å; A103-A136 HydrophobicContact CB-CB 3.99Å; A103-F139 HydrophobicContact CB-CB 3.88Å; A103-F139 HydrophobicContact CB-CD2 3.74Å; A103-F139 HydrophobicContact CB-CG 3.94Å |
| 104 | Y | 89.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 9% | 0.094 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | -176 | -178 | -118.7 | 0 | 0 | 0 | 111.9 | L100 F101 A106 C107 Q108 A132 A136 F208 | L100-Y104 WeakPolarHBondContact O-CB 3.45Å; L100-Y104 PolarHBondContact O-N 2.94Å; F101-Y104 PolarHBondContact O-N 3.43Å; Y104-A106 VanDerWaalsContact C-N 3.29Å; Y104-A106 PolarHBondContact O-N 2.94Å; Y104-C107 PolarHBondContact O-N 3.37Å; Y104-C107 VanDerWaalsContact O-N 3.13Å; Y104-Q108 HydrophobicContact CD1-CG 4.36Å; Y104-Q108 HydrophobicContact CD2-CG 4.17Å; Y104-Q108 HydrophobicContact CE1-CG 4.04Å; Y104-Q108 VanDerWaalsContact CE1-OE1 3.32Å; Y104-Q108 HydrophobicContact CE2-CG 3.83Å; Y104-Q108 HydrophobicContact CG-CG 4.42Å; Y104-Q108 VanDerWaalsContact CZ-CD 3.43Å; Y104-Q108 WeakPolarHBondContact O-CG 3.31Å; Y104-Q108 PolarHBondContact O-N 3.19Å; Y104-Q108 PolarHBondContact OH-NE2 3.45Å; Y104-A132 HydrophobicContact CD2-CB 4.38Å; Y104-A132 HydrophobicContact CE2-CB 4.02Å; Y104-A136 HydrophobicContact CD2-CB 4.41Å; Y104-F208 HydrophobicContact CD1-CE1 4.4Å; Y104-F208 HydrophobicContact CD2-CE1 4.23Å; Y104-F208 HydrophobicContact CD2-CE2 4.41Å; Y104-F208 AromaticContact CD2-CZ 3.97Å; Y104-F208 HydrophobicContact CD2-CZ 3.97Å; Y104-F208 AromaticContact CE1-CE1 3.93Å; Y104-F208 HydrophobicContact CE1-CE1 3.93Å; Y104-F208 HydrophobicContact CE1-CZ 4.46Å; Y104-F208 HydrophobicContact CE2-CD1 4.05Å; Y104-F208 AromaticContact CE2-CE1 3.75Å; Y104-F208 HydrophobicContact CE2-CE1 3.75Å; Y104-F208 HydrophobicContact CE2-CE2 4.37Å; Y104-F208 HydrophobicContact CE2-CG 4.49Å; Y104-F208 AromaticContact CE2-CZ 3.92Å; Y104-F208 HydrophobicContact CE2-CZ 3.92Å; Y104-F208 HydrophobicContact CG-CZ 4.26Å; Y104-F208 AromaticContact CZ-CD1 3.9Å; Y104-F208 AromaticContact CZ-CE1 3.58Å |
| 105 | G | 86.1 | Confident | 90.4 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A103 K109 | A103-G105 PolarHBondContact O-N 2.65Å; G105-K109 WeakPolarHBondContact O-CG 3.22Å; G105-K109 PolarHBondContact O-N 2.85Å |
| 106 | A | 91.1 | Very high | 90.5 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.5 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A103 Y104 Q108 K109 V110 | A103-A106 PolarHBondContact O-N 3.1Å; Y104-A106 VanDerWaalsContact C-N 3.29Å; Y104-A106 PolarHBondContact O-N 2.94Å; A106-Q108 PolarHBondContact O-N 3.32Å; A106-K109 PolarHBondContact O-N 3.49Å; A106-V110 WeakPolarHBondContact O-CG2 3.39Å; A106-V110 PolarHBondContact O-N 2.79Å; A106-V110 VanDerWaalsContact O-N 3.07Å |
| 107 | C | 93.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | A103 Y104 K109 V110 I111 A132 L135 A136 | A103-C107 WeakPolarHBondContact O-CB 3.35Å; A103-C107 PolarHBondContact O-N 2.93Å; A103-C107 PolarHBondContact O-SG 3.44Å; Y104-C107 PolarHBondContact O-N 3.37Å; Y104-C107 VanDerWaalsContact O-N 3.13Å; C107-K109 VanDerWaalsContact C-N 3.35Å; C107-K109 PolarHBondContact O-N 3.13Å; C107-V110 PolarHBondContact O-N 3.06Å; C107-I111 WeakPolarHBondContact O-CG1 3.42Å; C107-I111 PolarHBondContact O-N 3Å; C107-A132 HydrophobicContact CB-CB 4.29Å; C107-A132 WeakPolarHBondContact CB-O 3.43Å; C107-L135 HydrophobicContact CB-CB 4.28Å; C107-L135 HydrophobicContact CB-CD2 4.09Å; C107-L135 HydrophobicContact CB-CG 4.32Å; C107-A136 HydrophobicContact CB-CB 4.43Å |
| 108 | Q | 91.7 | Very high | 90.6 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 15% | 0.15 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.1 | -74.9 | -178.1 | -64 | 0 | 0 | 111.5 | Y104 A106 V110 I111 A112 P121 L124 A132 | Y104-Q108 HydrophobicContact CD1-CG 4.36Å; Y104-Q108 HydrophobicContact CD2-CG 4.17Å; Y104-Q108 HydrophobicContact CE1-CG 4.04Å; Y104-Q108 VanDerWaalsContact CE1-OE1 3.32Å; Y104-Q108 HydrophobicContact CE2-CG 3.83Å; Y104-Q108 HydrophobicContact CG-CG 4.42Å; Y104-Q108 VanDerWaalsContact CZ-CD 3.43Å; Y104-Q108 WeakPolarHBondContact O-CG 3.31Å; Y104-Q108 PolarHBondContact O-N 3.19Å; Y104-Q108 PolarHBondContact OH-NE2 3.45Å; A106-Q108 PolarHBondContact O-N 3.32Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 3.11Å; Q108-I111 PolarHBondContact O-N 3.17Å; Q108-A112 VanDerWaalsContact O-CB 3.24Å; Q108-A112 WeakPolarHBondContact O-CB 3.24Å; Q108-A112 PolarHBondContact O-N 3.08Å; Q108-P121 HydrophobicContact CB-CB 3.95Å; Q108-P121 HydrophobicContact CB-CG 4.09Å; Q108-L124 HydrophobicContact CB-CD1 3.75Å; Q108-L124 HydrophobicContact CG-CD1 3.89Å; Q108-A132 HydrophobicContact CB-CB 4.36Å; Q108-A132 HydrophobicContact CG-CB 3.72Å |
| 109 | K | 91.9 | Very high | 90.5 | Very high | 125 Ų | 125 | 57.8 Ų | 57.8 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 176.1 | -70.3 | 176.7 | -179.1 | -177.1 | 0 | 112.1 | G105 A106 C107 A112 T113 P121 | G105-K109 WeakPolarHBondContact O-CG 3.22Å; G105-K109 PolarHBondContact O-N 2.85Å; A106-K109 PolarHBondContact O-N 3.49Å; C107-K109 VanDerWaalsContact C-N 3.35Å; C107-K109 PolarHBondContact O-N 3.13Å; K109-A112 PolarHBondContact O-N 3.28Å; K109-T113 WeakPolarHBondContact O-CB 3.22Å; K109-T113 PolarHBondContact O-N 3.47Å; K109-T113 PolarHBondContact O-OG1 2.96Å; K109-P121 HydrophobicContact CG-CG 3.98Å |
| 110 | V | 94.6 | Very high | 90.4 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -50.9 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | A106 C107 Q108 A112 T113 V114 | A106-V110 WeakPolarHBondContact O-CG2 3.39Å; A106-V110 PolarHBondContact O-N 2.79Å; A106-V110 VanDerWaalsContact O-N 3.07Å; C107-V110 PolarHBondContact O-N 3.06Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 3.11Å; V110-A112 PolarHBondContact O-N 2.89Å; V110-T113 WeakPolarHBondContact O-CB 3.11Å; V110-T113 PolarHBondContact O-N 3.19Å; V110-T113 VanDerWaalsContact O-N 3.16Å; V110-V114 HydrophobicContact CG1-CG2 4.43Å; V110-V114 WeakPolarHBondContact O-CG2 3.42Å; V110-V114 PolarHBondContact O-N 2.85Å |
| 111 | I | 94 | Very high | 90.2 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 179.4 | -64 | -60 | 0 | 0 | 0 | 111.4 | C107 Q108 T113 V114 T115 L124 E128 A132 | C107-I111 WeakPolarHBondContact O-CG1 3.42Å; C107-I111 PolarHBondContact O-N 3Å; Q108-I111 PolarHBondContact O-N 3.17Å; I111-T113 VanDerWaalsContact C-N 3.26Å; I111-T113 PolarHBondContact O-N 3.24Å; I111-V114 PolarHBondContact O-N 3.46Å; I111-T115 HydrophobicContact CG2-CG2 4.14Å; I111-T115 WeakPolarHBondContact O-CB 3.31Å; I111-T115 WeakPolarHBondContact O-CG2 3.35Å; I111-T115 PolarHBondContact O-N 3.5Å; I111-T115 PolarHBondContact O-OG1 3.47Å; I111-L124 HydrophobicContact CG2-CD2 4.08Å; I111-E128 HydrophobicContact CG2-CB 3.89Å; I111-A132 HydrophobicContact CB-CB 4.47Å; I111-A132 HydrophobicContact CG1-CB 4.01Å |
| 112 | A | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q108 K109 V110 T115 G116 K117 L124 | Q108-A112 VanDerWaalsContact O-CB 3.24Å; Q108-A112 WeakPolarHBondContact O-CB 3.24Å; Q108-A112 PolarHBondContact O-N 3.08Å; K109-A112 PolarHBondContact O-N 3.28Å; V110-A112 PolarHBondContact O-N 2.89Å; A112-T115 PolarHBondContact O-OG1 2.95Å; A112-G116 PolarHBondContact O-N 3.48Å; A112-K117 HydrophobicContact CB-CB 4.31Å; A112-K117 WeakPolarHBondContact O-CA 3.29Å; A112-K117 WeakPolarHBondContact O-CB 3.37Å; A112-K117 PolarHBondContact O-N 2.82Å; A112-L124 HydrophobicContact CB-CD2 3.86Å; A112-L124 HydrophobicContact CB-CG 4.34Å |
| 113 | T | 94 | Very high | 90.1 | Very high | 94 Ų | 94 | 58.6 Ų | 58.6 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.9 | -46.7 | 174 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | K109 V110 I111 T115 G116 | K109-T113 WeakPolarHBondContact O-CB 3.22Å; K109-T113 PolarHBondContact O-N 3.47Å; K109-T113 PolarHBondContact O-OG1 2.96Å; V110-T113 WeakPolarHBondContact O-CB 3.11Å; V110-T113 PolarHBondContact O-N 3.19Å; V110-T113 VanDerWaalsContact O-N 3.16Å; I111-T113 VanDerWaalsContact C-N 3.26Å; I111-T113 PolarHBondContact O-N 3.24Å; T113-T115 VanDerWaalsContact C-N 3.31Å; T113-T115 PolarHBondContact O-N 2.87Å; T113-G116 PolarHBondContact O-N 2.7Å |
| 114 | V | 94.1 | Very high | 89.8 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 69% | 0.685 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.4 | -32.9 | -178.2 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | V110 I111 G116 | V110-V114 HydrophobicContact CG1-CG2 4.43Å; V110-V114 WeakPolarHBondContact O-CG2 3.42Å; V110-V114 PolarHBondContact O-N 2.85Å; I111-V114 PolarHBondContact O-N 3.46Å; V114-G116 VanDerWaalsContact C-N 3.32Å |
| 115 | T | 93.4 | Very high | 89.7 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 36% | 0.362 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 2.6 | 179.3 | 54 | 0 | 0 | 0 | 0 | 113.6 | I111 A112 T113 E128 | I111-T115 HydrophobicContact CG2-CG2 4.14Å; I111-T115 WeakPolarHBondContact O-CB 3.31Å; I111-T115 WeakPolarHBondContact O-CG2 3.35Å; I111-T115 PolarHBondContact O-N 3.5Å; I111-T115 PolarHBondContact O-OG1 3.47Å; A112-T115 PolarHBondContact O-OG1 2.95Å; T113-T115 VanDerWaalsContact C-N 3.31Å; T113-T115 PolarHBondContact O-N 2.87Å; T115-E128 HydrophobicContact CG2-CG 4.21Å |
| 116 | G | 90.6 | Very high | 89.6 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 20.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A112 T113 V114 N118 | A112-G116 PolarHBondContact O-N 3.48Å; T113-G116 PolarHBondContact O-N 2.7Å; V114-G116 VanDerWaalsContact C-N 3.32Å; G116-N118 VanDerWaalsContact C-N 3.29Å; G116-N118 PolarHBondContact O-N 3.37Å |
| 117 | K | 89.9 | Confident | 89.6 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -93.3 | 32.1 | -179.6 | -62.9 | -175.6 | 171 | -172.2 | 0 | 113.2 | A112 G119 D120 N123 L124 E128 | A112-K117 HydrophobicContact CB-CB 4.31Å; A112-K117 WeakPolarHBondContact O-CA 3.29Å; A112-K117 WeakPolarHBondContact O-CB 3.37Å; A112-K117 PolarHBondContact O-N 2.82Å; K117-G119 PolarHBondContact O-N 2.77Å; K117-D120 PolarHBondContact O-N 3.39Å; K117-N123 HydrophobicContact CB-CB 4.3Å; K117-N123 HydrophobicContact CD-CB 4.05Å; K117-N123 WeakPolarHBondContact CD-O 3.25Å; K117-N123 WeakPolarHBondContact CE-O 3.42Å; K117-N123 HydrophobicContact CG-CB 4.49Å; K117-N123 PolarHBondContact NZ-O 2.73Å; K117-L124 HydrophobicContact CD-CD2 4.2Å; K117-E128 WeakPolarHBondContact CE-OE1 3.47Å; K117-E128 WeakPolarHBondContact CE-OE2 3.44Å; K117-E128 VanDerWaalsContact NZ-CD 3.3Å; K117-E128 IonicContact NZ-OE1 2.7Å; K117-E128 PolarHBondContact NZ-OE1 2.93Å; K117-E128 IonicContact NZ-OE2 3.85Å; K117-E128 PolarHBondContact NZ-OE2 2.91Å |
| 118 | N | 86.2 | Confident | 89.4 | Confident | 165 Ų | 165 | 66.3 Ų | 66.3 | 88% | 0.882 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 23.3 | 179.4 | -61.7 | -34.8 | 0 | 0 | 0 | 115.1 | G116 D120 | G116-N118 VanDerWaalsContact C-N 3.29Å; G116-N118 PolarHBondContact O-N 3.37Å; N118-D120 PolarHBondContact O-N 3.42Å |
| 119 | G | 84.6 | Confident | 89.3 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 10.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K117 P121 | K117-G119 PolarHBondContact O-N 2.77Å; G119-P121 VanDerWaalsContact O-CD 3.29Å; G119-P121 WeakPolarHBondContact O-CD 3.41Å |
| 120 | D | 87.2 | Confident | 89.2 | Confident | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | trans | -88.8 | 111 | 179.1 | -177.8 | 6 | 0 | 0 | 0 | 111.7 | K117 N118 A122 N123 | K117-D120 PolarHBondContact O-N 3.39Å; N118-D120 PolarHBondContact O-N 3.42Å; D120-A122 PolarHBondContact O-N 3.49Å; D120-A122 WeakPolarHBondContact OD1-CB 3.3Å; D120-A122 PolarHBondContact OD1-N 2.84Å; D120-N123 PolarHBondContact O-N 3.41Å; D120-N123 PolarHBondContact OD2-ND2 3.24Å | ||
| 121 | P | 84.4 | Confident | 89.1 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -60.5 | -24.1 | 177.4 | -26.1 | 38.9 | 0 | 0 | 0 | 114.8 | Q108 K109 G119 N123 L124 | Q108-P121 HydrophobicContact CB-CB 3.95Å; Q108-P121 HydrophobicContact CB-CG 4.09Å; K109-P121 HydrophobicContact CG-CG 3.98Å; G119-P121 VanDerWaalsContact O-CD 3.29Å; G119-P121 WeakPolarHBondContact O-CD 3.41Å; P121-N123 PolarHBondContact O-N 3.16Å; P121-L124 HydrophobicContact CB-CD1 4.37Å; P121-L124 WeakPolarHBondContact O-CB 3.33Å; P121-L124 WeakPolarHBondContact O-CG 3.33Å; P121-L124 PolarHBondContact O-N 2.89Å |
| 122 | A | 83.2 | Confident | 89.1 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -65.1 | -28.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D120 L124 | D120-A122 PolarHBondContact O-N 3.49Å; D120-A122 WeakPolarHBondContact OD1-CB 3.3Å; D120-A122 PolarHBondContact OD1-N 2.84Å; A122-L124 VanDerWaalsContact C-N 3.31Å; A122-L124 PolarHBondContact O-N 3.32Å |
| 123 | N | 85.7 | Confident | 88.9 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -85.3 | -1.8 | -179.2 | -64 | -50.7 | 0 | 0 | 0 | 113.2 | K117 D120 P121 H125 | K117-N123 HydrophobicContact CB-CB 4.3Å; K117-N123 HydrophobicContact CD-CB 4.05Å; K117-N123 WeakPolarHBondContact CD-O 3.25Å; K117-N123 WeakPolarHBondContact CE-O 3.42Å; K117-N123 HydrophobicContact CG-CB 4.49Å; K117-N123 PolarHBondContact NZ-O 2.73Å; D120-N123 PolarHBondContact O-N 3.41Å; D120-N123 PolarHBondContact OD2-ND2 3.24Å; P121-N123 PolarHBondContact O-N 3.16Å; N123-H125 PolarHBondContact O-N 3.47Å |
| 124 | L | 86.3 | Confident | 88.9 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | trans | -67 | 128.8 | -177.8 | -67.5 | 177.9 | 0 | 0 | 0 | 111.5 | Q108 I111 A112 K117 P121 A122 E128 S129 | Q108-L124 HydrophobicContact CB-CD1 3.75Å; Q108-L124 HydrophobicContact CG-CD1 3.89Å; I111-L124 HydrophobicContact CG2-CD2 4.08Å; A112-L124 HydrophobicContact CB-CD2 3.86Å; A112-L124 HydrophobicContact CB-CG 4.34Å; K117-L124 HydrophobicContact CD-CD2 4.2Å; P121-L124 HydrophobicContact CB-CD1 4.37Å; P121-L124 WeakPolarHBondContact O-CB 3.33Å; P121-L124 WeakPolarHBondContact O-CG 3.33Å; P121-L124 PolarHBondContact O-N 2.89Å; A122-L124 VanDerWaalsContact C-N 3.31Å; A122-L124 PolarHBondContact O-N 3.32Å; L124-E128 VanDerWaalsContact CA-OE2 3.3Å; L124-E128 WeakPolarHBondContact CA-OE2 3.47Å; L124-E128 HydrophobicContact CB-CB 4.34Å; L124-E128 HydrophobicContact CD2-CB 3.89Å; L124-S129 WeakPolarHBondContact CB-OG 3.29Å | ||
| 125 | H | 87.3 | Confident | 88.9 | Confident | 113 Ų | 113 | 50.4 Ų | 50.4 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | trans | -73.3 | 155 | 172.6 | -139.6 | -113.9 | 0 | 0 | 0 | 109.3 | N123 I127 E128 S129 | N123-H125 PolarHBondContact O-N 3.47Å; H125-I127 PolarHBondContact O-N 2.84Å; H125-E128 HydrophobicContact CB-CG 4.46Å; H125-E128 PolarHBondContact N-OE2 3.49Å; H125-E128 WeakPolarHBondContact O-CB 3.27Å; H125-E128 PolarHBondContact O-N 3.11Å; H125-S129 PolarHBondContact O-N 3.47Å | ||
| 126 | P | 84.8 | Confident | 88.8 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.5 | -37.9 | -177 | -32.9 | 37.8 | 0 | 0 | 0 | 115.1 | A130 E212 | P126-A130 WeakPolarHBondContact O-CB 3.3Å; P126-A130 PolarHBondContact O-N 3.49Å; P126-E212 HydrophobicContact CB-CB 3.8Å; P126-E212 HydrophobicContact CG-CB 4.29Å |
| 127 | I | 90 | Very high | 88.9 | Confident | 113 Ų | 113 | 44.9 Ų | 44.9 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.1 | -39 | 177.4 | -65.1 | 170.3 | 0 | 0 | 0 | 111.8 | H125 A130 C131 | H125-I127 PolarHBondContact O-N 2.84Å; I127-A130 WeakPolarHBondContact O-CB 3.41Å; I127-A130 PolarHBondContact O-N 3.4Å; I127-C131 PolarHBondContact O-N 2.93Å; I127-C131 PolarHBondContact O-SG 2.91Å |
| 128 | E | 90.8 | Very high | 89.1 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73 | -38.4 | 179.8 | -60.1 | 166.2 | 157.6 | 0 | 0 | 111.2 | I111 T115 K117 L124 H125 A130 C131 A132 | I111-E128 HydrophobicContact CG2-CB 3.89Å; T115-E128 HydrophobicContact CG2-CG 4.21Å; K117-E128 WeakPolarHBondContact CE-OE1 3.47Å; K117-E128 WeakPolarHBondContact CE-OE2 3.44Å; K117-E128 VanDerWaalsContact NZ-CD 3.3Å; K117-E128 IonicContact NZ-OE1 2.7Å; K117-E128 PolarHBondContact NZ-OE1 2.93Å; K117-E128 IonicContact NZ-OE2 3.85Å; K117-E128 PolarHBondContact NZ-OE2 2.91Å; L124-E128 VanDerWaalsContact CA-OE2 3.3Å; L124-E128 WeakPolarHBondContact CA-OE2 3.47Å; L124-E128 HydrophobicContact CB-CB 4.34Å; L124-E128 HydrophobicContact CD2-CB 3.89Å; H125-E128 HydrophobicContact CB-CG 4.46Å; H125-E128 PolarHBondContact N-OE2 3.49Å; H125-E128 WeakPolarHBondContact O-CB 3.27Å; H125-E128 PolarHBondContact O-N 3.11Å; E128-A130 VanDerWaalsContact C-N 3.29Å; E128-A130 PolarHBondContact O-N 3Å; E128-C131 WeakPolarHBondContact O-CB 3.3Å; E128-C131 PolarHBondContact O-N 3.01Å; E128-A132 PolarHBondContact O-N 3.41Å |
| 129 | S | 88.6 | Confident | 89.4 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 169.3 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | L124 H125 A132 G133 | L124-S129 WeakPolarHBondContact CB-OG 3.29Å; H125-S129 PolarHBondContact O-N 3.47Å; S129-A132 WeakPolarHBondContact O-CB 3.44Å; S129-A132 PolarHBondContact O-N 3.49Å; S129-G133 PolarHBondContact O-N 2.93Å |
| 130 | A | 90.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P126 I127 E128 G133 S134 F205 F208 | P126-A130 WeakPolarHBondContact O-CB 3.3Å; P126-A130 PolarHBondContact O-N 3.49Å; I127-A130 WeakPolarHBondContact O-CB 3.41Å; I127-A130 PolarHBondContact O-N 3.4Å; E128-A130 VanDerWaalsContact C-N 3.29Å; E128-A130 PolarHBondContact O-N 3Å; A130-G133 PolarHBondContact O-N 3.27Å; A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 3.5Å; A130-S134 PolarHBondContact O-OG 3.41Å; A130-F205 HydrophobicContact CB-CD2 3.74Å; A130-F205 HydrophobicContact CB-CE2 3.82Å; A130-F205 HydrophobicContact CB-CG 4.38Å; A130-F205 WeakPolarHBondContact CB-O 3.45Å; A130-F208 HydrophobicContact CB-CB 4.33Å |
| 131 | C | 93.3 | Very high | 89.9 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 35% | 0.345 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 172.8 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | I127 E128 G133 S134 L135 | I127-C131 PolarHBondContact O-N 2.93Å; I127-C131 PolarHBondContact O-SG 2.91Å; E128-C131 WeakPolarHBondContact O-CB 3.3Å; E128-C131 PolarHBondContact O-N 3.01Å; C131-G133 VanDerWaalsContact C-N 3.34Å; C131-G133 PolarHBondContact O-N 3.39Å; C131-S134 WeakPolarHBondContact O-CB 3.32Å; C131-S134 PolarHBondContact O-N 3.17Å; C131-L135 PolarHBondContact O-N 3.25Å |
| 132 | A | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y104 C107 Q108 I111 E128 S129 L135 A136 | Y104-A132 HydrophobicContact CD2-CB 4.38Å; Y104-A132 HydrophobicContact CE2-CB 4.02Å; C107-A132 HydrophobicContact CB-CB 4.29Å; C107-A132 WeakPolarHBondContact CB-O 3.43Å; Q108-A132 HydrophobicContact CB-CB 4.36Å; Q108-A132 HydrophobicContact CG-CB 3.72Å; I111-A132 HydrophobicContact CB-CB 4.47Å; I111-A132 HydrophobicContact CG1-CB 4.01Å; E128-A132 PolarHBondContact O-N 3.41Å; S129-A132 WeakPolarHBondContact O-CB 3.44Å; S129-A132 PolarHBondContact O-N 3.49Å; A132-L135 PolarHBondContact O-N 2.99Å; A132-A136 WeakPolarHBondContact O-CB 3.36Å; A132-A136 PolarHBondContact O-N 3.43Å |
| 133 | G | 90.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | S129 A130 C131 L135 A136 S137 F208 | S129-G133 PolarHBondContact O-N 2.93Å; A130-G133 PolarHBondContact O-N 3.27Å; C131-G133 VanDerWaalsContact C-N 3.34Å; C131-G133 PolarHBondContact O-N 3.39Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 3.25Å; G133-A136 PolarHBondContact O-N 3.04Å; G133-S137 PolarHBondContact O-N 2.89Å; G133-F208 VanDerWaalsContact CA-CD2 3.47Å |
| 134 | S | 93.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 176 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | A130 C131 S137 V201 F205 | A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 3.5Å; A130-S134 PolarHBondContact O-OG 3.41Å; C131-S134 WeakPolarHBondContact O-CB 3.32Å; C131-S134 PolarHBondContact O-N 3.17Å; S134-S137 PolarHBondContact O-OG 2.94Å; S134-V201 PolarHBondContact OG-O 3.45Å; S134-F205 WeakPolarHBondContact OG-CA 3.35Å; S134-F205 WeakPolarHBondContact OG-CB 3.35Å; S134-F205 PolarHBondContact OG-N 3.13Å |
| 135 | L | 93.9 | Very high | 90.8 | Very high | 71 Ų | 71 | 32.8 Ų | 32.8 | 37% | 0.372 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 175.2 | -177.2 | 60.8 | 0 | 0 | 0 | 111.3 | C107 C131 A132 G133 S137 V138 | C107-L135 HydrophobicContact CB-CB 4.28Å; C107-L135 HydrophobicContact CB-CD2 4.09Å; C107-L135 HydrophobicContact CB-CG 4.32Å; C131-L135 PolarHBondContact O-N 3.25Å; A132-L135 PolarHBondContact O-N 2.99Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 3.25Å; L135-S137 PolarHBondContact O-N 3.36Å; L135-V138 WeakPolarHBondContact O-CB 3.43Å; L135-V138 PolarHBondContact O-N 3.15Å |
| 136 | A | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -32.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L100 A103 Y104 C107 A132 G133 V138 F139 A140 | L100-A136 HydrophobicContact CD1-CB 4.01Å; A103-A136 HydrophobicContact CB-CB 3.99Å; Y104-A136 HydrophobicContact CD2-CB 4.41Å; C107-A136 HydrophobicContact CB-CB 4.43Å; A132-A136 WeakPolarHBondContact O-CB 3.36Å; A132-A136 PolarHBondContact O-N 3.43Å; G133-A136 PolarHBondContact O-N 3.04Å; A136-V138 PolarHBondContact O-N 2.82Å; A136-F139 WeakPolarHBondContact O-CB 3.07Å; A136-F139 PolarHBondContact O-N 3.45Å; A136-F139 VanDerWaalsContact O-N 3.08Å; A136-A140 PolarHBondContact O-N 3.24Å |
| 137 | S | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -22.6 | -179.7 | 88.2 | 0 | 0 | 0 | 0 | 114 | G133 S134 L135 F139 A140 A141 E200 V201 | G133-S137 PolarHBondContact O-N 2.89Å; S134-S137 PolarHBondContact O-OG 2.94Å; L135-S137 PolarHBondContact O-N 3.36Å; S137-F139 VanDerWaalsContact C-N 3.26Å; S137-F139 PolarHBondContact O-N 3.09Å; S137-A140 PolarHBondContact O-N 3.36Å; S137-A141 WeakPolarHBondContact O-CB 3.42Å; S137-A141 PolarHBondContact O-N 2.9Å; S137-E200 VanDerWaalsContact OG-C 3.29Å; S137-E200 PolarHBondContact OG-O 3.31Å; S137-V201 VanDerWaalsContact OG-CA 3.3Å; S137-V201 WeakPolarHBondContact OG-CA 3.4Å; S137-V201 WeakPolarHBondContact OG-CG2 3.06Å; S137-V201 PolarHBondContact OG-N 2.9Å |
| 138 | V | 93.9 | Very high | 90.7 | Very high | 54 Ų | 54 | 26.2 Ų | 26.2 | 33% | 0.327 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 172.3 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L135 A136 A141 C142 F193 V201 | L135-V138 WeakPolarHBondContact O-CB 3.43Å; L135-V138 PolarHBondContact O-N 3.15Å; A136-V138 PolarHBondContact O-N 2.82Å; V138-A141 WeakPolarHBondContact O-CB 3.41Å; V138-A141 PolarHBondContact O-N 3.12Å; V138-C142 PolarHBondContact O-N 3.47Å; V138-C142 PolarHBondContact O-SG 3.29Å; V138-F193 HydrophobicContact CG1-CZ 4.44Å; V138-V201 HydrophobicContact CG2-CG2 3.76Å |
| 139 | F | 93.3 | Very high | 90.3 | Very high | 105 Ų | 105 | 25.5 Ų | 25.5 | 46% | 0.461 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -71.8 | -41.2 | 175.8 | -59.8 | -86.7 | 0 | 0 | 0 | 111.2 | V99 A103 A136 S137 A141 C142 | V99-F139 VanDerWaalsContact CG1-C 3.46Å; V99-F139 HydrophobicContact CG1-CB 3.69Å; V99-F139 WeakPolarHBondContact CG1-O 3.32Å; A103-F139 HydrophobicContact CB-CB 3.88Å; A103-F139 HydrophobicContact CB-CD2 3.74Å; A103-F139 HydrophobicContact CB-CG 3.94Å; A136-F139 WeakPolarHBondContact O-CB 3.07Å; A136-F139 PolarHBondContact O-N 3.45Å; A136-F139 VanDerWaalsContact O-N 3.08Å; S137-F139 VanDerWaalsContact C-N 3.26Å; S137-F139 PolarHBondContact O-N 3.09Å; F139-A141 VanDerWaalsContact C-N 3.26Å; F139-A141 PolarHBondContact O-N 2.95Å; F139-C142 VanDerWaalsContact O-CB 3.28Å; F139-C142 WeakPolarHBondContact O-CB 3.39Å; F139-C142 PolarHBondContact O-N 3.25Å |
| 140 | A | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.8 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E96 L100 A136 S137 C142 V143 L144 | E96-A140 HydrophobicContact CG-CB 4.12Å; L100-A140 HydrophobicContact CB-CB 4.22Å; L100-A140 HydrophobicContact CD1-CB 4.22Å; A136-A140 PolarHBondContact O-N 3.24Å; S137-A140 PolarHBondContact O-N 3.36Å; A140-C142 PolarHBondContact O-N 3.04Å; A140-V143 PolarHBondContact O-N 3.29Å; A140-L144 WeakPolarHBondContact O-CB 3.28Å; A140-L144 PolarHBondContact O-N 3.39Å |
| 141 | A | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -28 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | S137 V138 F139 V143 L144 C145 F193 T196 E200 | S137-A141 WeakPolarHBondContact O-CB 3.42Å; S137-A141 PolarHBondContact O-N 2.9Å; V138-A141 WeakPolarHBondContact O-CB 3.41Å; V138-A141 PolarHBondContact O-N 3.12Å; F139-A141 VanDerWaalsContact C-N 3.26Å; F139-A141 PolarHBondContact O-N 2.95Å; A141-V143 PolarHBondContact O-N 3.39Å; A141-L144 PolarHBondContact O-N 3.14Å; A141-C145 WeakPolarHBondContact O-CB 3.47Å; A141-C145 PolarHBondContact O-N 3.19Å; A141-F193 HydrophobicContact CB-CD2 4.46Å; A141-F193 HydrophobicContact CB-CE2 3.8Å; A141-F193 HydrophobicContact CB-CZ 4.27Å; A141-T196 HydrophobicContact CB-CG2 4.03Å; A141-E200 HydrophobicContact CB-CG 4.33Å |
| 142 | C | 91.5 | Very high | 88.8 | Confident | 54 Ų | 54 | 28 Ų | 28 | 37% | 0.365 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.9 | -28.2 | 176.6 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | V138 F139 A140 P146 F190 | V138-C142 PolarHBondContact O-N 3.47Å; V138-C142 PolarHBondContact O-SG 3.29Å; F139-C142 VanDerWaalsContact O-CB 3.28Å; F139-C142 WeakPolarHBondContact O-CB 3.39Å; F139-C142 PolarHBondContact O-N 3.25Å; A140-C142 PolarHBondContact O-N 3.04Å; C142-P146 VanDerWaalsContact O-CD 3.23Å; C142-P146 WeakPolarHBondContact O-CD 3.22Å; C142-P146 WeakPolarHBondContact O-CG 3.32Å; C142-F190 HydrophobicContact CB-CE1 4.46Å; C142-F190 WeakPolarHBondContact O-CE1 3.5Å |
| 143 | V | 90.6 | Very high | 88.3 | Confident | 40 Ų | 40 | 30.8 Ų | 30.8 | 24% | 0.242 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -92.9 | -36 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | A95 V99 A140 A141 P146 T147 | A95-V143 HydrophobicContact CB-CG1 3.38Å; V99-V143 HydrophobicContact CB-CG2 4.43Å; V99-V143 HydrophobicContact CG2-CG2 3.69Å; A140-V143 PolarHBondContact O-N 3.29Å; A141-V143 PolarHBondContact O-N 3.39Å; V143-P146 WeakPolarHBondContact O-CD 3.23Å; V143-P146 WeakPolarHBondContact O-CG 3.41Å; V143-T147 WeakPolarHBondContact O-CG2 3.49Å; V143-T147 PolarHBondContact O-OG1 3.03Å |
| 144 | L | 88.7 | Confident | 87.9 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.1 | -40.4 | -177.1 | -168.1 | 59 | 0 | 0 | 0 | 112.3 | A140 A141 T147 E148 T196 E200 | A140-L144 WeakPolarHBondContact O-CB 3.28Å; A140-L144 PolarHBondContact O-N 3.39Å; A141-L144 PolarHBondContact O-N 3.14Å; L144-T147 WeakPolarHBondContact CA-OG1 3.14Å; L144-T147 PolarHBondContact O-N 2.89Å; L144-T147 PolarHBondContact O-OG1 3.36Å; L144-E148 HydrophobicContact CD1-CG 3.89Å; L144-E148 HydrophobicContact CG-CG 3.93Å; L144-E148 VanDerWaalsContact O-CB 3.29Å; L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 WeakPolarHBondContact O-CG 3.32Å; L144-E148 PolarHBondContact O-N 3.05Å; L144-T196 HydrophobicContact CB-CG2 4.39Å; L144-T196 HydrophobicContact CD2-CG2 4.24Å; L144-T196 HydrophobicContact CG-CG2 4.38Å; L144-E200 HydrophobicContact CD2-CG 4.18Å; L144-E200 VanDerWaalsContact CD2-OE1 3.3Å; L144-E200 WeakPolarHBondContact CD2-OE1 3.28Å |
| 145 | C | 88.1 | Confident | 86.8 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.3 | -54.8 | 179.5 | -177.6 | 0 | 0 | 0 | 0 | 113.8 | A141 T147 E148 L149 F193 | A141-C145 WeakPolarHBondContact O-CB 3.47Å; A141-C145 PolarHBondContact O-N 3.19Å; C145-T147 VanDerWaalsContact C-N 3.35Å; C145-T147 PolarHBondContact O-N 2.94Å; C145-E148 PolarHBondContact O-N 3.21Å; C145-L149 WeakPolarHBondContact O-CB 3.13Å; C145-L149 PolarHBondContact O-N 3.33Å; C145-F193 HydrophobicContact CB-CD2 4.05Å |
| 146 | P | 89.4 | Confident | 85.8 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 18% | 0.175 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | -179.3 | 24.3 | -34.8 | 0 | 0 | 0 | 112.8 | C142 V143 L149 V150 L189 | C142-P146 VanDerWaalsContact O-CD 3.23Å; C142-P146 WeakPolarHBondContact O-CD 3.22Å; C142-P146 WeakPolarHBondContact O-CG 3.32Å; V143-P146 WeakPolarHBondContact O-CD 3.23Å; V143-P146 WeakPolarHBondContact O-CG 3.41Å; P146-L149 PolarHBondContact O-N 3.16Å; P146-V150 WeakPolarHBondContact O-CG2 3.38Å; P146-V150 PolarHBondContact O-N 3.3Å; P146-V150 VanDerWaalsContact O-N 3.11Å; P146-L189 WeakPolarHBondContact CA-O 3.39Å; P146-L189 HydrophobicContact CB-CB 4.12Å |
| 147 | T | 87.2 | Confident | 85 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 28% | 0.276 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.3 | -42.3 | -179.6 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | A92 V143 L144 C145 K151 | A92-T147 HydrophobicContact CB-CG2 4.37Å; V143-T147 WeakPolarHBondContact O-CG2 3.49Å; V143-T147 PolarHBondContact O-OG1 3.03Å; L144-T147 WeakPolarHBondContact CA-OG1 3.14Å; L144-T147 PolarHBondContact O-N 2.89Å; L144-T147 PolarHBondContact O-OG1 3.36Å; C145-T147 VanDerWaalsContact C-N 3.35Å; C145-T147 PolarHBondContact O-N 2.94Å; T147-K151 VanDerWaalsContact O-CB 3.3Å; T147-K151 WeakPolarHBondContact O-CB 3.3Å; T147-K151 PolarHBondContact O-N 3.35Å |
| 148 | E | 81.7 | Confident | 84 | Confident | 37 Ų | 37 | 42.5 Ų | 42.5 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 173 | -76.3 | -164.4 | 147.3 | 0 | 0 | 112.1 | L144 C145 V150 K151 C152 R199 K255 | L144-E148 HydrophobicContact CD1-CG 3.89Å; L144-E148 HydrophobicContact CG-CG 3.93Å; L144-E148 VanDerWaalsContact O-CB 3.29Å; L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 WeakPolarHBondContact O-CG 3.32Å; L144-E148 PolarHBondContact O-N 3.05Å; C145-E148 PolarHBondContact O-N 3.21Å; E148-V150 PolarHBondContact O-N 3.2Å; E148-K151 PolarHBondContact O-N 3.43Å; E148-C152 WeakPolarHBondContact O-CB 2.95Å; E148-C152 PolarHBondContact O-N 2.87Å; E148-C152 PolarHBondContact O-SG 3.09Å; E148-R199 VanDerWaalsContact CD-NH2 3.29Å; E148-R199 IonicContact OE1-CZ 3.27Å; E148-R199 IonicContact OE1-NH1 2.85Å; E148-R199 PolarHBondContact OE1-NH1 2.98Å; E148-R199 IonicContact OE1-NH2 3.48Å; E148-R199 PolarHBondContact OE1-NH2 3.46Å; E148-R199 IonicContact OE2-CZ 3.11Å; E148-R199 IonicContact OE2-NH1 2.88Å; E148-R199 IonicContact OE2-NH2 3.14Å; E148-R199 PolarHBondContact OE2-NH2 3.34Å; E148-K255 IonicContact OE1-NZ 2.65Å; E148-K255 IonicContact OE2-NZ 3.3Å; E148-K255 PolarHBondContact OE2-NZ 3.46Å |
| 149 | L | 83.1 | Confident | 82.8 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 180 | 179.7 | 69.4 | 0 | 0 | 0 | 111.1 | C145 P146 C152 R153 I180 G188 R191 | C145-L149 WeakPolarHBondContact O-CB 3.13Å; C145-L149 PolarHBondContact O-N 3.33Å; P146-L149 PolarHBondContact O-N 3.16Å; L149-C152 PolarHBondContact O-N 3.34Å; L149-R153 PolarHBondContact O-N 3.44Å; L149-I180 HydrophobicContact CD2-CD1 4.3Å; L149-G188 WeakPolarHBondContact CD2-O 3.46Å; L149-R191 HydrophobicContact CD2-CB 4.48Å |
| 150 | V | 84.6 | Confident | 81.7 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | P146 E148 C152 R153 L154 P173 M176 T177 I180 L189 | P146-V150 WeakPolarHBondContact O-CG2 3.38Å; P146-V150 PolarHBondContact O-N 3.3Å; P146-V150 VanDerWaalsContact O-N 3.11Å; E148-V150 PolarHBondContact O-N 3.2Å; V150-C152 PolarHBondContact O-N 2.86Å; V150-R153 PolarHBondContact O-N 2.89Å; V150-L154 HydrophobicContact CG1-CD1 4.12Å; V150-L154 HydrophobicContact CG1-CG 4.44Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 VanDerWaalsContact O-CG 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 2.78Å; V150-P173 HydrophobicContact CG1-CB 4.04Å; V150-M176 HydrophobicContact CG1-CB 4.19Å; V150-M176 HydrophobicContact CG1-CG 4.05Å; V150-T177 WeakPolarHBondContact CG2-OG1 3.14Å; V150-I180 HydrophobicContact CG2-CD1 3.98Å; V150-L189 HydrophobicContact CG2-CD2 4.45Å |
| 151 | K | 81.6 | Confident | 80.7 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 27% | 0.27 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 176.5 | 179.5 | 179.5 | 174.7 | -177.5 | 0 | 111.4 | T147 E148 L154 Q155 | T147-K151 VanDerWaalsContact O-CB 3.3Å; T147-K151 WeakPolarHBondContact O-CB 3.3Å; T147-K151 PolarHBondContact O-N 3.35Å; E148-K151 PolarHBondContact O-N 3.43Å; K151-L154 PolarHBondContact O-N 3.13Å; K151-Q155 WeakPolarHBondContact O-CB 3.27Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.37Å; K151-Q155 PolarHBondContact O-N 2.96Å |
| 152 | C | 74.9 | Confident | 79.5 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -47.5 | -179.8 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | E148 L149 V150 L154 Q155 T156 | E148-C152 WeakPolarHBondContact O-CB 2.95Å; E148-C152 PolarHBondContact O-N 2.87Å; E148-C152 PolarHBondContact O-SG 3.09Å; L149-C152 PolarHBondContact O-N 3.34Å; V150-C152 PolarHBondContact O-N 2.86Å; C152-L154 VanDerWaalsContact C-N 3.35Å; C152-L154 PolarHBondContact O-N 3.22Å; C152-Q155 PolarHBondContact O-N 2.85Å; C152-T156 PolarHBondContact O-N 3.27Å; C152-T156 PolarHBondContact O-OG1 2.99Å; C152-T156 VanDerWaalsContact O-OG1 3.11Å |
| 153 | R | 82 | Confident | 78.2 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 178.3 | -71.1 | -165.7 | -172.6 | -163.7 | 3.4 | 111.9 | L149 V150 T156 E157 M176 E184 | L149-R153 PolarHBondContact O-N 3.44Å; V150-R153 PolarHBondContact O-N 2.89Å; R153-T156 PolarHBondContact O-N 3.37Å; R153-E157 WeakPolarHBondContact O-CG 3.35Å; R153-E157 PolarHBondContact O-N 3.26Å; R153-M176 HydrophobicContact CB-CE 4.15Å; R153-M176 HydrophobicContact CB-CG 4.21Å; R153-M176 HydrophobicContact CB-SD 3.77Å; R153-M176 HydrophobicContact CG-SD 4.45Å; R153-E184 IonicContact CZ-OE1 3.22Å; R153-E184 VanDerWaalsContact CZ-OE1 3.31Å; R153-E184 IonicContact NH1-OE1 2.76Å; R153-E184 PolarHBondContact NH1-OE1 2.88Å; R153-E184 IonicContact NH2-OE1 3.86Å; R153-E184 PolarHBondContact NH2-OE1 3.41Å; R153-E184 IonicContact NH2-OE2 2.63Å; R153-E184 PolarHBondContact NH2-OE2 3.08Å |
| 154 | L | 80.4 | Confident | 77.1 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176 | -74.1 | 178.2 | 0 | 0 | 0 | 112.9 | V150 K151 C152 R158 R171 P173 M176 | V150-L154 HydrophobicContact CG1-CD1 4.12Å; V150-L154 HydrophobicContact CG1-CG 4.44Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 VanDerWaalsContact O-CG 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 2.78Å; K151-L154 PolarHBondContact O-N 3.13Å; C152-L154 VanDerWaalsContact C-N 3.35Å; C152-L154 PolarHBondContact O-N 3.22Å; L154-R158 WeakPolarHBondContact O-CB 3.22Å; L154-R158 PolarHBondContact O-N 2.85Å; L154-R158 VanDerWaalsContact O-N 3.08Å; L154-R171 HydrophobicContact CD2-CB 4.32Å; L154-R171 VanDerWaalsContact CD2-O 3.22Å; L154-R171 WeakPolarHBondContact CD2-O 3.18Å; L154-P173 HydrophobicContact CD1-CB 3.93Å; L154-M176 HydrophobicContact CD2-CB 3.94Å; L154-M176 HydrophobicContact CD2-CE 4.19Å; L154-M176 HydrophobicContact CD2-CG 4.33Å; L154-M176 HydrophobicContact CG-CB 4.26Å; L154-M176 HydrophobicContact CG-CG 4.3Å |
| 155 | Q | 71.1 | Confident | 75.9 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -44 | 179.1 | -75.9 | 178.3 | -22.1 | 0 | 0 | 111.3 | K151 C152 R158 E159 | K151-Q155 WeakPolarHBondContact O-CB 3.27Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.37Å; K151-Q155 PolarHBondContact O-N 2.96Å; C152-Q155 PolarHBondContact O-N 2.85Å; Q155-R158 PolarHBondContact O-N 3.45Å; Q155-E159 WeakPolarHBondContact O-CG 3.33Å; Q155-E159 PolarHBondContact O-N 2.84Å; Q155-E159 VanDerWaalsContact O-N 3.13Å |
| 156 | T | 72.4 | Confident | 74.4 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 176.6 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | C152 R153 R158 E159 L160 | C152-T156 PolarHBondContact O-N 3.27Å; C152-T156 PolarHBondContact O-OG1 2.99Å; C152-T156 VanDerWaalsContact O-OG1 3.11Å; R153-T156 PolarHBondContact O-N 3.37Å; T156-R158 VanDerWaalsContact C-N 3.3Å; T156-R158 PolarHBondContact O-N 3.35Å; T156-E159 PolarHBondContact O-N 3.42Å; T156-L160 HydrophobicContact CG2-CD1 3.86Å; T156-L160 HydrophobicContact CG2-CG 4.33Å; T156-L160 WeakPolarHBondContact O-CB 3.09Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.19Å |
| 157 | E | 76.5 | Confident | 72.6 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 178.3 | -74.9 | -174.3 | -177.3 | 0 | 0 | 112.8 | R153 S161 R171 M176 | R153-E157 WeakPolarHBondContact O-CG 3.35Å; R153-E157 PolarHBondContact O-N 3.26Å; E157-S161 VanDerWaalsContact O-CB 3.3Å; E157-S161 WeakPolarHBondContact O-CB 3.46Å; E157-S161 PolarHBondContact O-N 3.31Å; E157-S161 PolarHBondContact O-OG 3.08Å; E157-R171 IonicContact OE1-CZ 3.31Å; E157-R171 VanDerWaalsContact OE1-CZ 3.3Å; E157-R171 IonicContact OE1-NE 3.98Å; E157-R171 IonicContact OE1-NH1 2.74Å; E157-R171 IonicContact OE1-NH2 2.93Å; E157-R171 PolarHBondContact OE1-NH2 3.42Å; E157-R171 IonicContact OE2-CZ 3.98Å; E157-R171 IonicContact OE2-NE 2.73Å; E157-R171 PolarHBondContact OE2-NE 3.44Å; E157-R171 IonicContact OE2-NH2 3.39Å; E157-R171 PolarHBondContact OE2-NH2 3.1Å; E157-M176 VanDerWaalsContact CD-CE 3.46Å; E157-M176 VanDerWaalsContact OE1-CE 3.22Å; E157-M176 WeakPolarHBondContact OE1-CE 3.11Å; E157-M176 WeakPolarHBondContact OE2-CE 3.3Å |
| 158 | R | 71.8 | Confident | 71 | Confident | 112 Ų | 112 | 74.1 Ų | 74.1 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 177.8 | -179.4 | 173.5 | 178 | 168.1 | -0.6 | 112.2 | L154 Q155 T156 G162 | L154-R158 WeakPolarHBondContact O-CB 3.22Å; L154-R158 PolarHBondContact O-N 2.85Å; L154-R158 VanDerWaalsContact O-N 3.08Å; Q155-R158 PolarHBondContact O-N 3.45Å; T156-R158 VanDerWaalsContact C-N 3.3Å; T156-R158 PolarHBondContact O-N 3.35Å; R158-G162 PolarHBondContact O-N 2.83Å; R158-G162 VanDerWaalsContact O-N 3.07Å |
| 159 | E | 68.5 | Low | 70 | Confident | 54 Ų | 54 | 80.9 Ų | 80.9 | 25% | 0.252 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 179 | -66.5 | -68.6 | 160.9 | 0 | 0 | 111 | F59 Q155 T156 S161 G162 I163 | F59-E159 HydrophobicContact CE2-CB 4.33Å; F59-E159 HydrophobicContact CE2-CG 3.85Å; F59-E159 HydrophobicContact CZ-CB 3.85Å; F59-E159 HydrophobicContact CZ-CG 3.88Å; Q155-E159 WeakPolarHBondContact O-CG 3.33Å; Q155-E159 PolarHBondContact O-N 2.84Å; Q155-E159 VanDerWaalsContact O-N 3.13Å; T156-E159 PolarHBondContact O-N 3.42Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 3Å; E159-G162 PolarHBondContact O-N 3.14Å; E159-G162 VanDerWaalsContact O-N 3.15Å; E159-I163 WeakPolarHBondContact O-CG1 3.25Å; E159-I163 PolarHBondContact O-N 3.1Å |
| 160 | L | 69.5 | Low | 69 | Low | 107 Ų | 107 | 86.3 Ų | 86.3 | 56% | 0.56 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 174.6 | -71.5 | 173.7 | 0 | 0 | 0 | 112.3 | T156 G162 I163 A164 | T156-L160 HydrophobicContact CG2-CD1 3.86Å; T156-L160 HydrophobicContact CG2-CG 4.33Å; T156-L160 WeakPolarHBondContact O-CB 3.09Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.19Å; L160-G162 VanDerWaalsContact C-N 3.32Å; L160-G162 PolarHBondContact O-N 3.37Å; L160-I163 PolarHBondContact O-N 3.43Å; L160-A164 WeakPolarHBondContact O-CB 3.3Å; L160-A164 PolarHBondContact O-N 3.29Å |
| 161 | S | 70 | Confident | 68.5 | Low | 22 Ų | 22 | 90 Ų | 90 | 15% | 0.154 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | E157 E159 I163 A164 | E157-S161 VanDerWaalsContact O-CB 3.3Å; E157-S161 WeakPolarHBondContact O-CB 3.46Å; E157-S161 PolarHBondContact O-N 3.31Å; E157-S161 PolarHBondContact O-OG 3.08Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 3Å; S161-I163 VanDerWaalsContact C-N 3.33Å; S161-A164 PolarHBondContact O-N 3.25Å |
| 162 | G | 66.8 | Low | 68.5 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.2 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R158 E159 L160 | R158-G162 PolarHBondContact O-N 2.83Å; R158-G162 VanDerWaalsContact O-N 3.07Å; E159-G162 PolarHBondContact O-N 3.14Å; E159-G162 VanDerWaalsContact O-N 3.15Å; L160-G162 VanDerWaalsContact C-N 3.32Å; L160-G162 PolarHBondContact O-N 3.37Å |
| 163 | I | 63.6 | Low | 68.9 | Low | 123 Ų | 123 | 89.9 Ų | 89.9 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -74.8 | -41 | 176.3 | -66.5 | 166.4 | 0 | 0 | 0 | 111.3 | E159 L160 S161 N165 | E159-I163 WeakPolarHBondContact O-CG1 3.25Å; E159-I163 PolarHBondContact O-N 3.1Å; L160-I163 PolarHBondContact O-N 3.43Å; S161-I163 VanDerWaalsContact C-N 3.33Å; I163-N165 PolarHBondContact O-N 3.39Å |
| 164 | A | 66.7 | Low | 69.2 | Low | 75 Ų | 75 | 94.8 Ų | 94.8 | 62% | 0.62 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 0.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L160 S161 G166 | L160-A164 WeakPolarHBondContact O-CB 3.3Å; L160-A164 PolarHBondContact O-N 3.29Å; S161-A164 PolarHBondContact O-N 3.25Å; A164-G166 PolarHBondContact O-N 3.14Å |
| 165 | N | 63.1 | Low | 69.7 | Low | 157 Ų | 157 | 97.5 Ų | 97.5 | 84% | 0.84 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 16.5 | -168.2 | -73.9 | -29.7 | 0 | 0 | 0 | 113.8 | I163 | I163-N165 PolarHBondContact O-N 3.39Š|
| 166 | G | 56.6 | Low | 70.4 | Confident | 36 Ų | 36 | 94.6 Ų | 94.6 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | trans | -85.6 | 130 | -177 | 0 | 0 | 0 | 0 | 0 | 109.8 | A164 M168 | A164-G166 PolarHBondContact O-N 3.14Å; G166-M168 PolarHBondContact O-N 2.91Å | ||
| 167 | R | 52.1 | Low | 71.3 | Confident | 257 Ų | 257 | 93.5 Ų | 93.5 | 97% | 0.97 | 49% | 0.485 | S | S | * | . | trans | -69.8 | 63.7 | 162 | -68.1 | 178.6 | 178.6 | 164.3 | -0.7 | 109.4 | E169 | R167-E169 PolarHBondContact O-N 2.97Š| ||
| 168 | M | 54.8 | Low | 72.2 | Confident | 117 Ų | 117 | 95 Ų | 95 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | trans | -69.2 | 128.9 | 162.7 | -82.6 | -148.5 | 81.1 | 0 | 0 | 107.9 | G166 Q170 | G166-M168 PolarHBondContact O-N 2.91Å; M168-Q170 PolarHBondContact O-N 3.16Å | ||
| 169 | E | 59.4 | Low | 73.1 | Confident | 179 Ų | 179 | 91.4 Ų | 91.4 | 84% | 0.836 | 48% | 0.479 | S | S | * | . | trans | -56.3 | 132 | 170.8 | -75.5 | -159.8 | 147 | 0 | 0 | 109.7 | R167 R171 | R167-E169 PolarHBondContact O-N 2.97Å; E169-R171 PolarHBondContact O-N 3.45Å | ||
| 170 | Q | 62.9 | Low | 74.1 | Confident | 137 Ų | 137 | 88.8 Ų | 88.8 | 64% | 0.64 | 47% | 0.467 | S | S | * | . | trans | -65.6 | 108.2 | 177.3 | -65.1 | -105.6 | -37.7 | 0 | 0 | 108.5 | M168 | M168-Q170 PolarHBondContact O-N 3.16Š| ||
| 171 | R | 73.6 | Confident | 75.4 | Confident | 90 Ų | 90 | 87 Ų | 87 | 34% | 0.34 | 46% | 0.457 | S | S | . | . | trans | -68.5 | 135.1 | 173.9 | -74.9 | -168.2 | -84.8 | -171 | -14.7 | 110.4 | L154 E157 E169 D179 | L154-R171 HydrophobicContact CD2-CB 4.32Å; L154-R171 VanDerWaalsContact CD2-O 3.22Å; L154-R171 WeakPolarHBondContact CD2-O 3.18Å; E157-R171 IonicContact OE1-CZ 3.31Å; E157-R171 VanDerWaalsContact OE1-CZ 3.3Å; E157-R171 IonicContact OE1-NE 3.98Å; E157-R171 IonicContact OE1-NH1 2.74Å; E157-R171 IonicContact OE1-NH2 2.93Å; E157-R171 PolarHBondContact OE1-NH2 3.42Å; E157-R171 IonicContact OE2-CZ 3.98Å; E157-R171 IonicContact OE2-NE 2.73Å; E157-R171 PolarHBondContact OE2-NE 3.44Å; E157-R171 IonicContact OE2-NH2 3.39Å; E157-R171 PolarHBondContact OE2-NH2 3.1Å; E169-R171 PolarHBondContact O-N 3.45Å; R171-D179 IonicContact NH1-OD2 3.63Å; R171-D179 PolarHBondContact NH1-OD2 2.85Å; R171-D179 VanDerWaalsContact NH1-OD2 3.1Å | ||
| 172 | G | 81.2 | Confident | 76.6 | Confident | 25 Ų | 25 | 94.5 Ų | 94.5 | 26% | 0.258 | 48% | 0.482 | S | S | . | . | trans | -77.8 | 161.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F174 L175 M176 | G172-F174 VanDerWaalsContact C-N 3.25Å; G172-F174 PolarHBondContact O-N 3.44Å; G172-L175 PolarHBondContact O-N 3.34Å; G172-M176 PolarHBondContact O-N 2.93Å; G172-M176 VanDerWaalsContact O-N 3.14Å | ||
| 173 | P | 84.4 | Confident | 77.9 | Confident | 67 Ų | 67 | 98.8 Ų | 98.8 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.8 | -36 | 178.3 | 23.1 | -33.1 | 0 | 0 | 0 | 113.3 | V150 L154 M176 T177 | V150-P173 HydrophobicContact CG1-CB 4.04Å; L154-P173 HydrophobicContact CD1-CB 3.93Å; P173-M176 PolarHBondContact O-N 2.93Å; P173-T177 PolarHBondContact O-N 3.48Å; P173-T177 PolarHBondContact O-OG1 3.48Å |
| 174 | F | 88.4 | Confident | 79.2 | Confident | 161 Ų | 161 | 96.1 Ų | 96.1 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 178 | -178.3 | -97.1 | 0 | 0 | 0 | 113.1 | G172 T177 K178 | G172-F174 VanDerWaalsContact C-N 3.25Å; G172-F174 PolarHBondContact O-N 3.44Å; F174-T177 PolarHBondContact O-N 2.83Å; F174-K178 HydrophobicContact CE1-CD 4.49Å; F174-K178 WeakPolarHBondContact O-CB 3.47Å; F174-K178 PolarHBondContact O-N 3.02Å |
| 175 | L | 89.7 | Confident | 80.4 | Confident | 91 Ų | 91 | 93.9 Ų | 93.9 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.7 | -79 | 139 | 0 | 0 | 0 | 110.6 | G172 T177 K178 D179 | G172-L175 PolarHBondContact O-N 3.34Å; L175-T177 PolarHBondContact O-N 3.47Å; L175-K178 PolarHBondContact O-N 3.37Å; L175-D179 PolarHBondContact O-N 3.31Å |
| 176 | M | 87.2 | Confident | 81.8 | Confident | 4 Ų | 4 | 92.2 Ų | 92.2 | 2% | 0.02 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 175.5 | -177.6 | 53.7 | 62.2 | 0 | 0 | 111.9 | V150 R153 L154 E157 G172 P173 K178 D179 I180 | V150-M176 HydrophobicContact CG1-CB 4.19Å; V150-M176 HydrophobicContact CG1-CG 4.05Å; R153-M176 HydrophobicContact CB-CE 4.15Å; R153-M176 HydrophobicContact CB-CG 4.21Å; R153-M176 HydrophobicContact CB-SD 3.77Å; R153-M176 HydrophobicContact CG-SD 4.45Å; L154-M176 HydrophobicContact CD2-CB 3.94Å; L154-M176 HydrophobicContact CD2-CE 4.19Å; L154-M176 HydrophobicContact CD2-CG 4.33Å; L154-M176 HydrophobicContact CG-CB 4.26Å; L154-M176 HydrophobicContact CG-CG 4.3Å; E157-M176 VanDerWaalsContact CD-CE 3.46Å; E157-M176 VanDerWaalsContact OE1-CE 3.22Å; E157-M176 WeakPolarHBondContact OE1-CE 3.11Å; E157-M176 WeakPolarHBondContact OE2-CE 3.3Å; G172-M176 PolarHBondContact O-N 2.93Å; G172-M176 VanDerWaalsContact O-N 3.14Å; P173-M176 PolarHBondContact O-N 2.93Å; M176-K178 VanDerWaalsContact C-N 3.32Å; M176-K178 PolarHBondContact O-N 2.98Å; M176-D179 PolarHBondContact O-N 3.26Å; M176-I180 HydrophobicContact CG-CD1 4.07Å; M176-I180 VanDerWaalsContact O-CG1 3.27Å; M176-I180 WeakPolarHBondContact O-CG1 3.07Å; M176-I180 PolarHBondContact O-N 3.03Å; M176-I180 HydrophobicContact SD-CD1 4.21Å; M176-I180 HydrophobicContact SD-CG1 4.3Å |
| 177 | T | 90.7 | Very high | 83.4 | Confident | 43 Ų | 43 | 101.4 Ų | 101.4 | 26% | 0.264 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | V150 P173 F174 L175 D179 I180 I181 L189 | V150-T177 WeakPolarHBondContact CG2-OG1 3.14Å; P173-T177 PolarHBondContact O-N 3.48Å; P173-T177 PolarHBondContact O-OG1 3.48Å; F174-T177 PolarHBondContact O-N 2.83Å; L175-T177 PolarHBondContact O-N 3.47Å; T177-D179 PolarHBondContact O-N 2.93Å; T177-I180 PolarHBondContact O-N 3.11Å; T177-I181 HydrophobicContact CG2-CD1 3.93Å; T177-I181 VanDerWaalsContact O-CG1 3.31Å; T177-I181 WeakPolarHBondContact O-CG1 3.36Å; T177-I181 PolarHBondContact O-N 3.45Å; T177-L189 HydrophobicContact CG2-CD2 4.22Å |
| 178 | K | 94.5 | Very high | 85.1 | Confident | 84 Ų | 84 | 89.3 Ų | 89.3 | 37% | 0.365 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 178.5 | -178.1 | 178 | 176.2 | 179.5 | 0 | 112 | F174 L175 M176 I181 R182 | F174-K178 HydrophobicContact CE1-CD 4.49Å; F174-K178 WeakPolarHBondContact O-CB 3.47Å; F174-K178 PolarHBondContact O-N 3.02Å; L175-K178 PolarHBondContact O-N 3.37Å; M176-K178 VanDerWaalsContact C-N 3.32Å; M176-K178 PolarHBondContact O-N 2.98Å; K178-I181 PolarHBondContact O-N 2.79Å; K178-R182 VanDerWaalsContact CE-NH2 3.33Å; K178-R182 WeakPolarHBondContact O-CB 3.18Å; K178-R182 VanDerWaalsContact O-CG 3.28Å; K178-R182 WeakPolarHBondContact O-CG 3.27Å; K178-R182 PolarHBondContact O-N 2.94Å |
| 179 | D | 91.9 | Very high | 86.7 | Confident | 36 Ų | 36 | 84.7 Ų | 84.7 | 19% | 0.193 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 178.1 | -71.8 | -14.3 | 0 | 0 | 0 | 111.3 | R171 L175 M176 T177 I181 R182 Q183 | R171-D179 IonicContact NH1-OD2 3.63Å; R171-D179 PolarHBondContact NH1-OD2 2.85Å; R171-D179 VanDerWaalsContact NH1-OD2 3.1Å; L175-D179 PolarHBondContact O-N 3.31Å; M176-D179 PolarHBondContact O-N 3.26Å; T177-D179 PolarHBondContact O-N 2.93Å; D179-I181 PolarHBondContact O-N 3.17Å; D179-R182 PolarHBondContact O-N 3.35Å; D179-Q183 WeakPolarHBondContact O-CB 3.23Å; D179-Q183 VanDerWaalsContact O-CG 3.3Å; D179-Q183 WeakPolarHBondContact O-CG 3.45Å; D179-Q183 PolarHBondContact O-N 3.17Å |
| 180 | I | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 175.6 | -64.3 | 163.8 | 0 | 0 | 0 | 110.4 | L149 V150 M176 T177 R182 Q183 E184 G185 L189 | L149-I180 HydrophobicContact CD2-CD1 4.3Å; V150-I180 HydrophobicContact CG2-CD1 3.98Å; M176-I180 HydrophobicContact CG-CD1 4.07Å; M176-I180 VanDerWaalsContact O-CG1 3.27Å; M176-I180 WeakPolarHBondContact O-CG1 3.07Å; M176-I180 PolarHBondContact O-N 3.03Å; M176-I180 HydrophobicContact SD-CD1 4.21Å; M176-I180 HydrophobicContact SD-CG1 4.3Å; T177-I180 PolarHBondContact O-N 3.11Å; I180-R182 VanDerWaalsContact C-N 3.28Å; I180-R182 PolarHBondContact O-N 3.19Å; I180-Q183 PolarHBondContact O-N 3.05Å; I180-E184 PolarHBondContact O-N 2.96Å; I180-G185 PolarHBondContact O-N 3.14Å; I180-L189 HydrophobicContact CB-CD2 4.21Å; I180-L189 HydrophobicContact CD1-CD2 4.18Å; I180-L189 HydrophobicContact CG2-CD2 3.83Å; I180-L189 HydrophobicContact CG2-CG 4.18Å |
| 181 | I | 95.1 | Very high | 89.2 | Confident | 68 Ų | 68 | 81.9 Ų | 81.9 | 35% | 0.349 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | -179.6 | -66.5 | 170 | 0 | 0 | 0 | 111 | T177 K178 D179 G185 L186 L189 | T177-I181 HydrophobicContact CG2-CD1 3.93Å; T177-I181 VanDerWaalsContact O-CG1 3.31Å; T177-I181 WeakPolarHBondContact O-CG1 3.36Å; T177-I181 PolarHBondContact O-N 3.45Å; K178-I181 PolarHBondContact O-N 2.79Å; D179-I181 PolarHBondContact O-N 3.17Å; I181-G185 WeakPolarHBondContact O-CA 3.44Å; I181-G185 PolarHBondContact O-N 3.43Å; I181-L186 HydrophobicContact CD1-CD2 4.22Å; I181-L186 HydrophobicContact CG1-CD2 4.26Å; I181-L186 HydrophobicContact CG2-CD2 4.44Å; I181-L189 HydrophobicContact CD1-CD1 4.04Å; I181-L189 HydrophobicContact CG1-CD1 3.89Å; I181-L189 HydrophobicContact CG1-CG 4.26Å |
| 182 | R | 96.1 | Very high | 89.6 | Confident | 180 Ų | 180 | 79.5 Ų | 79.5 | 68% | 0.679 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -69.2 | -38.2 | 178.3 | -78.7 | 175.7 | 165.8 | -166.9 | -10.3 | 113.2 | K178 D179 I180 | K178-R182 VanDerWaalsContact CE-NH2 3.33Å; K178-R182 WeakPolarHBondContact O-CB 3.18Å; K178-R182 VanDerWaalsContact O-CG 3.28Å; K178-R182 WeakPolarHBondContact O-CG 3.27Å; K178-R182 PolarHBondContact O-N 2.94Å; D179-R182 PolarHBondContact O-N 3.35Å; I180-R182 VanDerWaalsContact C-N 3.28Å; I180-R182 PolarHBondContact O-N 3.19Å |
| 183 | Q | 93.8 | Very high | 89.8 | Confident | 145 Ų | 145 | 81.1 Ų | 81.1 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -89.1 | -40.7 | -174.2 | -66.8 | 175.3 | 11.4 | 0 | 0 | 113 | D179 I180 | D179-Q183 WeakPolarHBondContact O-CB 3.23Å; D179-Q183 VanDerWaalsContact O-CG 3.3Å; D179-Q183 WeakPolarHBondContact O-CG 3.45Å; D179-Q183 PolarHBondContact O-N 3.17Å; I180-Q183 PolarHBondContact O-N 3.05Å |
| 184 | E | 90.1 | Very high | 89.7 | Confident | 66 Ų | 66 | 81.3 Ų | 81.3 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -117.4 | -2.7 | -171.4 | -63.2 | 176.1 | -132.1 | 0 | 0 | 112.6 | R153 I180 G188 R191 | R153-E184 IonicContact CZ-OE1 3.22Å; R153-E184 VanDerWaalsContact CZ-OE1 3.31Å; R153-E184 IonicContact NH1-OE1 2.76Å; R153-E184 PolarHBondContact NH1-OE1 2.88Å; R153-E184 IonicContact NH2-OE1 3.86Å; R153-E184 PolarHBondContact NH2-OE1 3.41Å; R153-E184 IonicContact NH2-OE2 2.63Å; R153-E184 PolarHBondContact NH2-OE2 3.08Å; I180-E184 PolarHBondContact O-N 2.96Å; E184-G188 PolarHBondContact O-N 3.28Å; E184-R191 IonicContact OE2-NH1 3.94Å |
| 185 | G | 92.4 | Very high | 89.3 | Confident | 29 Ų | 29 | 76.1 Ų | 76.1 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | 70 | -173.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I180 I181 R187 G188 | I180-G185 PolarHBondContact O-N 3.14Å; I181-G185 WeakPolarHBondContact O-CA 3.44Å; I181-G185 PolarHBondContact O-N 3.43Å; G185-R187 PolarHBondContact O-N 2.8Å; G185-G188 PolarHBondContact O-N 2.95Å; G185-G188 VanDerWaalsContact O-N 3.1Å |
| 186 | L | 92.4 | Very high | 89 | Confident | 122 Ų | 122 | 72 Ų | 72 | 64% | 0.639 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.8 | -29 | 176.5 | -68.7 | 174 | 0 | 0 | 0 | 112.7 | I181 G188 L189 | I181-L186 HydrophobicContact CD1-CD2 4.22Å; I181-L186 HydrophobicContact CG1-CD2 4.26Å; I181-L186 HydrophobicContact CG2-CD2 4.44Å; L186-G188 PolarHBondContact O-N 2.85Å; L186-L189 WeakPolarHBondContact O-CB 3.33Å; L186-L189 PolarHBondContact O-N 3.36Å |
| 187 | R | 90.7 | Very high | 89 | Confident | 228 Ų | 228 | 72.6 Ų | 72.6 | 86% | 0.86 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.6 | -29.2 | 176.2 | -68.8 | -178 | 177.4 | 172 | -0.7 | 112.3 | G185 L189 F190 | G185-R187 PolarHBondContact O-N 2.8Å; R187-L189 PolarHBondContact O-N 3.03Å; R187-F190 PolarHBondContact O-N 3.48Å; R187-F190 VanDerWaalsContact O-N 3.08Å |
| 188 | G | 88.1 | Confident | 88.7 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.5 | -33.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L149 E184 G185 L186 F190 R191 | L149-G188 WeakPolarHBondContact CD2-O 3.46Å; E184-G188 PolarHBondContact O-N 3.28Å; G185-G188 PolarHBondContact O-N 2.95Å; G185-G188 VanDerWaalsContact O-N 3.1Å; L186-G188 PolarHBondContact O-N 2.85Å; G188-F190 PolarHBondContact O-N 2.94Å; G188-R191 VanDerWaalsContact O-CB 3.25Å; G188-R191 WeakPolarHBondContact O-CB 3.34Å; G188-R191 PolarHBondContact O-N 3.24Å |
| 189 | L | 88.7 | Confident | 88.2 | Confident | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.5 | 177.8 | -68.1 | 175.7 | 0 | 0 | 0 | 113.6 | P146 V150 T177 I180 I181 L186 R187 | P146-L189 WeakPolarHBondContact CA-O 3.39Å; P146-L189 HydrophobicContact CB-CB 4.12Å; V150-L189 HydrophobicContact CG2-CD2 4.45Å; T177-L189 HydrophobicContact CG2-CD2 4.22Å; I180-L189 HydrophobicContact CB-CD2 4.21Å; I180-L189 HydrophobicContact CD1-CD2 4.18Å; I180-L189 HydrophobicContact CG2-CD2 3.83Å; I180-L189 HydrophobicContact CG2-CG 4.18Å; I181-L189 HydrophobicContact CD1-CD1 4.04Å; I181-L189 HydrophobicContact CG1-CD1 3.89Å; I181-L189 HydrophobicContact CG1-CG 4.26Å; L186-L189 WeakPolarHBondContact O-CB 3.33Å; L186-L189 PolarHBondContact O-N 3.36Å; R187-L189 PolarHBondContact O-N 3.03Å |
| 190 | F | 90.7 | Very high | 87.9 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 11.8 | 178.6 | -68.6 | -87.8 | 0 | 0 | 0 | 112.6 | C142 R187 G188 G192 F193 | C142-F190 HydrophobicContact CB-CE1 4.46Å; C142-F190 WeakPolarHBondContact O-CE1 3.5Å; R187-F190 PolarHBondContact O-N 3.48Å; R187-F190 VanDerWaalsContact O-N 3.08Å; G188-F190 PolarHBondContact O-N 2.94Å; F190-G192 PolarHBondContact O-N 2.97Å; F190-G192 VanDerWaalsContact O-N 3.14Å; F190-F193 HydrophobicContact CB-CB 4.41Å; F190-F193 HydrophobicContact CD1-CD2 4.08Å; F190-F193 VanDerWaalsContact O-CB 3.27Å; F190-F193 WeakPolarHBondContact O-CB 3.49Å; F190-F193 PolarHBondContact O-N 2.88Å |
| 191 | R | 84.4 | Confident | 87.9 | Confident | 165 Ų | 165 | 72.9 Ų | 72.9 | 62% | 0.623 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 116.2 | 173.8 | -171.1 | 172.7 | -178.9 | -177.4 | -1.8 | 109.6 | L149 E184 G188 | L149-R191 HydrophobicContact CD2-CB 4.48Å; E184-R191 IonicContact OE2-NH1 3.94Å; G188-R191 VanDerWaalsContact O-CB 3.25Å; G188-R191 WeakPolarHBondContact O-CB 3.34Å; G188-R191 PolarHBondContact O-N 3.24Å |
| 192 | G | 81 | Confident | 87.6 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 42% | 0.423 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | 2.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F190 A194 A195 T196 | F190-G192 PolarHBondContact O-N 2.97Å; F190-G192 VanDerWaalsContact O-N 3.14Å; G192-A194 VanDerWaalsContact C-N 3.31Å; G192-A194 PolarHBondContact O-N 3.28Å; G192-A195 WeakPolarHBondContact O-CB 3.09Å; G192-A195 PolarHBondContact O-N 3.4Å; G192-T196 PolarHBondContact O-N 3.45Å; G192-T196 PolarHBondContact O-OG1 2.98Å |
| 193 | F | 85.4 | Confident | 87.3 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53 | -45.2 | -179.9 | 179.9 | -96.2 | 0 | 0 | 0 | 113.1 | V138 A141 C145 F190 A195 T196 A197 | V138-F193 HydrophobicContact CG1-CZ 4.44Å; A141-F193 HydrophobicContact CB-CD2 4.46Å; A141-F193 HydrophobicContact CB-CE2 3.8Å; A141-F193 HydrophobicContact CB-CZ 4.27Å; C145-F193 HydrophobicContact CB-CD2 4.05Å; F190-F193 HydrophobicContact CB-CB 4.41Å; F190-F193 HydrophobicContact CD1-CD2 4.08Å; F190-F193 VanDerWaalsContact O-CB 3.27Å; F190-F193 WeakPolarHBondContact O-CB 3.49Å; F190-F193 PolarHBondContact O-N 2.88Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A195 PolarHBondContact O-N 3.23Å; F193-T196 CarbonylContact O-C 3.54Å; F193-T196 PolarHBondContact O-N 2.86Å; F193-T196 VanDerWaalsContact O-N 3.13Å; F193-A197 HydrophobicContact CE1-CB 4.33Å; F193-A197 WeakPolarHBondContact O-CB 3.49Å; F193-A197 PolarHBondContact O-N 3.29Å |
| 194 | A | 83.6 | Confident | 87 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 59% | 0.587 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.2 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G192 T196 A197 V198 | G192-A194 VanDerWaalsContact C-N 3.31Å; G192-A194 PolarHBondContact O-N 3.28Å; A194-T196 VanDerWaalsContact C-N 3.34Å; A194-A197 PolarHBondContact O-N 2.81Å; A194-V198 WeakPolarHBondContact O-CB 3.41Å; A194-V198 VanDerWaalsContact O-CG2 3.23Å; A194-V198 WeakPolarHBondContact O-CG2 3.32Å; A194-V198 PolarHBondContact O-N 3.33Å |
| 195 | A | 78.8 | Confident | 87.1 | Confident | 52 Ų | 52 | 58 Ų | 58 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G192 F193 R199 | G192-A195 WeakPolarHBondContact O-CB 3.09Å; G192-A195 PolarHBondContact O-N 3.4Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A195 PolarHBondContact O-N 3.23Å; A195-R199 PolarHBondContact O-N 2.89Å |
| 196 | T | 83.9 | Confident | 87 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.4 | -48 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | A141 L144 G192 F193 A194 V198 R199 E200 | A141-T196 HydrophobicContact CB-CG2 4.03Å; L144-T196 HydrophobicContact CB-CG2 4.39Å; L144-T196 HydrophobicContact CD2-CG2 4.24Å; L144-T196 HydrophobicContact CG-CG2 4.38Å; G192-T196 PolarHBondContact O-N 3.45Å; G192-T196 PolarHBondContact O-OG1 2.98Å; F193-T196 CarbonylContact O-C 3.54Å; F193-T196 PolarHBondContact O-N 2.86Å; F193-T196 VanDerWaalsContact O-N 3.13Å; A194-T196 VanDerWaalsContact C-N 3.34Å; T196-V198 PolarHBondContact O-N 3.41Å; T196-R199 WeakPolarHBondContact O-CB 3.21Å; T196-R199 PolarHBondContact O-N 2.84Å; T196-R199 VanDerWaalsContact O-N 3.09Å; T196-E200 HydrophobicContact CG2-CG 4.1Å; T196-E200 WeakPolarHBondContact O-CG 3.17Å; T196-E200 PolarHBondContact O-N 2.85Å |
| 197 | A | 87.4 | Confident | 86.8 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F193 A194 R199 E200 V201 | F193-A197 HydrophobicContact CE1-CB 4.33Å; F193-A197 WeakPolarHBondContact O-CB 3.49Å; F193-A197 PolarHBondContact O-N 3.29Å; A194-A197 PolarHBondContact O-N 2.81Å; A197-R199 PolarHBondContact O-N 3.38Å; A197-E200 PolarHBondContact O-N 2.92Å; A197-V201 WeakPolarHBondContact O-CB 3.42Å; A197-V201 VanDerWaalsContact O-CG2 3.27Å; A197-V201 WeakPolarHBondContact O-CG2 3.43Å; A197-V201 PolarHBondContact O-N 2.99Å |
| 198 | V | 83.4 | Confident | 86.5 | Confident | 98 Ų | 98 | 47.9 Ų | 47.9 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.6 | -25.9 | 175.8 | 168.3 | 0 | 0 | 0 | 0 | 112.2 | A194 T196 P202 | A194-V198 WeakPolarHBondContact O-CB 3.41Å; A194-V198 VanDerWaalsContact O-CG2 3.23Å; A194-V198 WeakPolarHBondContact O-CG2 3.32Å; A194-V198 PolarHBondContact O-N 3.33Å; T196-V198 PolarHBondContact O-N 3.41Å; V198-P202 WeakPolarHBondContact O-CD 3.45Å; V198-P202 WeakPolarHBondContact O-CG 3.09Å |
| 199 | R | 83.7 | Confident | 86.5 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78 | -50.3 | 170.8 | -176.3 | -169.8 | 68.2 | -173.3 | 1.1 | 111.2 | E148 A195 T196 A197 G203 I248 D252 | E148-R199 VanDerWaalsContact CD-NH2 3.29Å; E148-R199 IonicContact OE1-CZ 3.27Å; E148-R199 IonicContact OE1-NH1 2.85Å; E148-R199 PolarHBondContact OE1-NH1 2.98Å; E148-R199 IonicContact OE1-NH2 3.48Å; E148-R199 PolarHBondContact OE1-NH2 3.46Å; E148-R199 IonicContact OE2-CZ 3.11Å; E148-R199 IonicContact OE2-NH1 2.88Å; E148-R199 IonicContact OE2-NH2 3.14Å; E148-R199 PolarHBondContact OE2-NH2 3.34Å; A195-R199 PolarHBondContact O-N 2.89Å; T196-R199 WeakPolarHBondContact O-CB 3.21Å; T196-R199 PolarHBondContact O-N 2.84Å; T196-R199 VanDerWaalsContact O-N 3.09Å; A197-R199 PolarHBondContact O-N 3.38Å; R199-G203 PolarHBondContact O-N 3.49Å; R199-G203 VanDerWaalsContact O-N 3.16Å; R199-I248 HydrophobicContact CG-CB 4.06Å; R199-I248 HydrophobicContact CG-CD1 3.63Å; R199-I248 HydrophobicContact CG-CG1 4.48Å; R199-I248 HydrophobicContact CG-CG2 4.29Å; R199-I248 VanDerWaalsContact O-CG2 3.29Å; R199-I248 WeakPolarHBondContact O-CG2 3.28Å; R199-D252 WeakPolarHBondContact CD-OD1 3.36Å; R199-D252 IonicContact NE-OD1 3.94Å; R199-D252 IonicContact NH1-OD1 2.77Å |
| 200 | E | 86.8 | Confident | 86.4 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.8 | -43.6 | -172.8 | -67.9 | -41.5 | 131.4 | 0 | 0 | 113 | S137 A141 L144 T196 A197 G203 Y204 | S137-E200 VanDerWaalsContact OG-C 3.29Å; S137-E200 PolarHBondContact OG-O 3.31Å; A141-E200 HydrophobicContact CB-CG 4.33Å; L144-E200 HydrophobicContact CD2-CG 4.18Å; L144-E200 VanDerWaalsContact CD2-OE1 3.3Å; L144-E200 WeakPolarHBondContact CD2-OE1 3.28Å; T196-E200 HydrophobicContact CG2-CG 4.1Å; T196-E200 WeakPolarHBondContact O-CG 3.17Å; T196-E200 PolarHBondContact O-N 2.85Å; A197-E200 PolarHBondContact O-N 2.92Å; E200-G203 PolarHBondContact O-N 3.25Å; E200-Y204 HydrophobicContact CB-CD2 4.3Å; E200-Y204 WeakPolarHBondContact O-CB 3.31Å; E200-Y204 VanDerWaalsContact O-CD2 3.32Å; E200-Y204 WeakPolarHBondContact O-CD2 3.31Å; E200-Y204 PolarHBondContact O-N 3.14Å; E200-Y204 WeakPolarHBondContact OE2-CE2 3.33Å |
| 201 | V | 90.4 | Very high | 86.2 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 30% | 0.297 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -53.5 | -173.7 | 173 | 0 | 0 | 0 | 0 | 111.7 | S134 S137 V138 A197 F205 | S134-V201 PolarHBondContact OG-O 3.45Å; S137-V201 VanDerWaalsContact OG-CA 3.3Å; S137-V201 WeakPolarHBondContact OG-CA 3.4Å; S137-V201 WeakPolarHBondContact OG-CG2 3.06Å; S137-V201 PolarHBondContact OG-N 2.9Å; V138-V201 HydrophobicContact CG2-CG2 3.76Å; A197-V201 WeakPolarHBondContact O-CB 3.42Å; A197-V201 VanDerWaalsContact O-CG2 3.27Å; A197-V201 WeakPolarHBondContact O-CG2 3.43Å; A197-V201 PolarHBondContact O-N 2.99Å; V201-F205 PolarHBondContact O-N 2.7Å; V201-F205 VanDerWaalsContact O-N 3.13Å |
| 202 | P | 88.5 | Confident | 86.1 | Confident | 55 Ų | 55 | 40.5 Ų | 40.5 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -38.5 | 175 | -18.7 | 33.9 | 0 | 0 | 0 | 112.1 | V198 Y204 F205 F206 | V198-P202 WeakPolarHBondContact O-CD 3.45Å; V198-P202 WeakPolarHBondContact O-CG 3.09Å; P202-Y204 PolarHBondContact O-N 2.91Å; P202-F205 VanDerWaalsContact O-CB 3.3Å; P202-F205 WeakPolarHBondContact O-CB 3.23Å; P202-F205 PolarHBondContact O-N 2.86Å; P202-F206 WeakPolarHBondContact O-CD2 3.16Å; P202-F206 PolarHBondContact O-N 2.91Å |
| 203 | G | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.3 | -51.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | R199 E200 F205 F206 F207 F244 | R199-G203 PolarHBondContact O-N 3.49Å; R199-G203 VanDerWaalsContact O-N 3.16Å; E200-G203 PolarHBondContact O-N 3.25Å; G203-F205 VanDerWaalsContact C-N 3.33Å; G203-F205 PolarHBondContact O-N 3.36Å; G203-F206 PolarHBondContact O-N 3.26Å; G203-F207 WeakPolarHBondContact O-CB 3.28Å; G203-F207 PolarHBondContact O-N 3.33Å; G203-F244 WeakPolarHBondContact O-CD2 3.28Å |
| 204 | Y | 88.1 | Confident | 86.4 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.6 | -29.4 | 179 | -83.1 | -75.1 | 0 | 0 | 0 | 113.1 | E96 L100 E200 P202 F207 F208 F244 | E96-Y204 PolarHBondContact OE1-OH 3.45Å; L100-Y204 HydrophobicContact CD1-CD1 4.12Å; L100-Y204 HydrophobicContact CD1-CE1 3.88Å; L100-Y204 HydrophobicContact CD1-CE2 4.26Å; L100-Y204 HydrophobicContact CD1-CG 4.43Å; L100-Y204 HydrophobicContact CD2-CD1 4.05Å; L100-Y204 HydrophobicContact CD2-CE1 3.23Å; L100-Y204 HydrophobicContact CG-CE1 4.18Å; E200-Y204 HydrophobicContact CB-CD2 4.3Å; E200-Y204 WeakPolarHBondContact O-CB 3.31Å; E200-Y204 VanDerWaalsContact O-CD2 3.32Å; E200-Y204 WeakPolarHBondContact O-CD2 3.31Å; E200-Y204 PolarHBondContact O-N 3.14Å; E200-Y204 WeakPolarHBondContact OE2-CE2 3.33Å; P202-Y204 PolarHBondContact O-N 2.91Å; Y204-F207 HydrophobicContact CD1-CB 4.48Å; Y204-F207 HydrophobicContact CD1-CD1 4.48Å; Y204-F207 PolarHBondContact O-N 2.96Å; Y204-F208 AromaticContact CD1-CD2 3.95Å; Y204-F208 HydrophobicContact CD1-CD2 3.95Å; Y204-F208 AromaticContact CD1-CE2 3.59Å; Y204-F208 HydrophobicContact CD1-CE2 3.59Å; Y204-F208 HydrophobicContact CE1-CE2 4.29Å; Y204-F208 HydrophobicContact CG-CE2 4.46Å; Y204-F208 WeakPolarHBondContact O-CB 3.35Å; Y204-F208 WeakPolarHBondContact O-CD2 3.28Å; Y204-F208 PolarHBondContact O-N 2.83Å; Y204-F244 HydrophobicContact CD2-CE2 4.09Å; Y204-F244 HydrophobicContact CE2-CE2 4.23Å; Y204-F244 HydrophobicContact CG-CE2 4.43Å |
| 205 | F | 91.2 | Very high | 86.3 | Confident | 75 Ų | 75 | 35 Ų | 35 | 33% | 0.329 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.8 | -53 | 168 | -176.4 | -98.8 | 0 | 0 | 0 | 111.1 | A130 S134 V201 P202 G203 G209 | A130-F205 HydrophobicContact CB-CD2 3.74Å; A130-F205 HydrophobicContact CB-CE2 3.82Å; A130-F205 HydrophobicContact CB-CG 4.38Å; A130-F205 WeakPolarHBondContact CB-O 3.45Å; S134-F205 WeakPolarHBondContact OG-CA 3.35Å; S134-F205 WeakPolarHBondContact OG-CB 3.35Å; S134-F205 PolarHBondContact OG-N 3.13Å; V201-F205 PolarHBondContact O-N 2.7Å; V201-F205 VanDerWaalsContact O-N 3.13Å; P202-F205 VanDerWaalsContact O-CB 3.3Å; P202-F205 WeakPolarHBondContact O-CB 3.23Å; P202-F205 PolarHBondContact O-N 2.86Å; G203-F205 VanDerWaalsContact C-N 3.33Å; G203-F205 PolarHBondContact O-N 3.36Å; F205-G209 WeakPolarHBondContact O-CA 3.13Å; F205-G209 PolarHBondContact O-N 3.48Å |
| 206 | F | 90.7 | Very high | 86.5 | Confident | 99 Ų | 99 | 39.5 Ų | 39.5 | 43% | 0.434 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.6 | -35.9 | 179.9 | -73.9 | -71.9 | 0 | 0 | 0 | 112.6 | P202 G203 A210 A243 S247 | P202-F206 WeakPolarHBondContact O-CD2 3.16Å; P202-F206 PolarHBondContact O-N 2.91Å; G203-F206 PolarHBondContact O-N 3.26Å; F206-A210 WeakPolarHBondContact O-CB 3.44Å; F206-A210 PolarHBondContact O-N 3.01Å; F206-A243 HydrophobicContact CB-CB 4.5Å; F206-S247 VanDerWaalsContact CD2-OG 3.31Å; F206-S247 WeakPolarHBondContact CD2-OG 3.45Å |
| 207 | F | 88.3 | Confident | 86.5 | Confident | 55 Ų | 55 | 46 Ų | 46 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -59.8 | 175.1 | -176.4 | -90.8 | 0 | 0 | 0 | 111.2 | G203 Y204 G209 A210 Y211 A240 F244 | G203-F207 WeakPolarHBondContact O-CB 3.28Å; G203-F207 PolarHBondContact O-N 3.33Å; Y204-F207 HydrophobicContact CD1-CB 4.48Å; Y204-F207 HydrophobicContact CD1-CD1 4.48Å; Y204-F207 PolarHBondContact O-N 2.96Å; F207-G209 PolarHBondContact O-N 3.04Å; F207-A210 PolarHBondContact O-N 3.37Å; F207-Y211 VanDerWaalsContact O-CB 3.3Å; F207-Y211 WeakPolarHBondContact O-CB 3.4Å; F207-Y211 PolarHBondContact O-N 2.84Å; F207-A240 HydrophobicContact CD1-CB 4.37Å; F207-A240 VanDerWaalsContact CD2-C 3.48Å; F207-A240 HydrophobicContact CD2-CB 3.68Å; F207-A240 WeakPolarHBondContact CD2-O 3.18Å; F207-A240 HydrophobicContact CE1-CB 4.35Å; F207-A240 HydrophobicContact CE2-CB 3.66Å; F207-A240 HydrophobicContact CG-CB 4.04Å; F207-A240 HydrophobicContact CZ-CB 4.01Å; F207-A240 VanDerWaalsContact O-CB 3.27Å; F207-A240 WeakPolarHBondContact O-CB 3.41Å; F207-F244 HydrophobicContact CB-CB 4.07Å; F207-F244 HydrophobicContact CB-CD2 4.03Å; F207-F244 HydrophobicContact CD2-CB 4.05Å |
| 208 | F | 84.5 | Confident | 86.3 | Confident | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.4 | -36.8 | -176.8 | -80.9 | -76.7 | 0 | 0 | 0 | 111.5 | L100 Y104 A130 G133 Y204 Y211 E212 | L100-F208 HydrophobicContact CD2-CE2 4.5Å; L100-F208 HydrophobicContact CD2-CZ 4.49Å; Y104-F208 HydrophobicContact CD1-CE1 4.4Å; Y104-F208 HydrophobicContact CD2-CE1 4.23Å; Y104-F208 HydrophobicContact CD2-CE2 4.41Å; Y104-F208 AromaticContact CD2-CZ 3.97Å; Y104-F208 HydrophobicContact CD2-CZ 3.97Å; Y104-F208 AromaticContact CE1-CE1 3.93Å; Y104-F208 HydrophobicContact CE1-CE1 3.93Å; Y104-F208 HydrophobicContact CE1-CZ 4.46Å; Y104-F208 HydrophobicContact CE2-CD1 4.05Å; Y104-F208 AromaticContact CE2-CE1 3.75Å; Y104-F208 HydrophobicContact CE2-CE1 3.75Å; Y104-F208 HydrophobicContact CE2-CE2 4.37Å; Y104-F208 HydrophobicContact CE2-CG 4.49Å; Y104-F208 AromaticContact CE2-CZ 3.92Å; Y104-F208 HydrophobicContact CE2-CZ 3.92Å; Y104-F208 HydrophobicContact CG-CZ 4.26Å; Y104-F208 AromaticContact CZ-CD1 3.9Å; Y104-F208 AromaticContact CZ-CE1 3.58Å; A130-F208 HydrophobicContact CB-CB 4.33Å; G133-F208 VanDerWaalsContact CA-CD2 3.47Å; Y204-F208 AromaticContact CD1-CD2 3.95Å; Y204-F208 HydrophobicContact CD1-CD2 3.95Å; Y204-F208 AromaticContact CD1-CE2 3.59Å; Y204-F208 HydrophobicContact CD1-CE2 3.59Å; Y204-F208 HydrophobicContact CE1-CE2 4.29Å; Y204-F208 HydrophobicContact CG-CE2 4.46Å; Y204-F208 WeakPolarHBondContact O-CB 3.35Å; Y204-F208 WeakPolarHBondContact O-CD2 3.28Å; Y204-F208 PolarHBondContact O-N 2.83Å; F208-Y211 PolarHBondContact O-N 2.91Å; F208-E212 VanDerWaalsContact O-CB 3.29Å; F208-E212 WeakPolarHBondContact O-CB 3.26Å; F208-E212 WeakPolarHBondContact O-CG 3.32Å; F208-E212 PolarHBondContact O-N 3.48Å |
| 209 | G | 87.5 | Confident | 86.1 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 26% | 0.258 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F205 F207 G213 | F205-G209 WeakPolarHBondContact O-CA 3.13Å; F205-G209 PolarHBondContact O-N 3.48Å; F207-G209 PolarHBondContact O-N 3.04Å; G209-G213 WeakPolarHBondContact O-CA 3.48Å; G209-G213 PolarHBondContact O-N 3.31Å |
| 210 | A | 88.3 | Confident | 85.7 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.6 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F206 F207 A214 A240 A243 | F206-A210 WeakPolarHBondContact O-CB 3.44Å; F206-A210 PolarHBondContact O-N 3.01Å; F207-A210 PolarHBondContact O-N 3.37Å; A210-A214 WeakPolarHBondContact O-CB 3.47Å; A210-A214 PolarHBondContact O-N 2.88Å; A210-A240 HydrophobicContact CB-CB 4.44Å; A210-A243 HydrophobicContact CB-CB 3.56Å |
| 211 | Y | 85.6 | Confident | 84.7 | Confident | 51 Ų | 51 | 58 Ų | 58 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -53.2 | 177.3 | 178.6 | -104.2 | 0 | 0 | 0 | 111.7 | F207 F208 A214 K215 T233 C236 | F207-Y211 VanDerWaalsContact O-CB 3.3Å; F207-Y211 WeakPolarHBondContact O-CB 3.4Å; F207-Y211 PolarHBondContact O-N 2.84Å; F208-Y211 PolarHBondContact O-N 2.91Å; Y211-A214 PolarHBondContact O-N 2.84Å; Y211-K215 HydrophobicContact CE1-CD 3.9Å; Y211-K215 HydrophobicContact CE1-CG 4.44Å; Y211-K215 HydrophobicContact CE2-CD 4.48Å; Y211-K215 WeakPolarHBondContact O-CB 3.41Å; Y211-K215 PolarHBondContact O-N 3.3Å; Y211-K215 VanDerWaalsContact OH-CE 3.31Å; Y211-K215 WeakPolarHBondContact OH-CE 3.37Å; Y211-T233 HydrophobicContact CE2-CG2 4.34Å; Y211-C236 HydrophobicContact CD2-CB 3.88Å; Y211-C236 HydrophobicContact CE2-CB 4.03Å |
| 212 | E | 82.8 | Confident | 83.7 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.2 | -38.2 | -179.5 | -68.9 | -65 | 149.5 | 0 | 0 | 111.7 | P126 F208 K215 Y216 K225 | P126-E212 HydrophobicContact CB-CB 3.8Å; P126-E212 HydrophobicContact CG-CB 4.29Å; F208-E212 VanDerWaalsContact O-CB 3.29Å; F208-E212 WeakPolarHBondContact O-CB 3.26Å; F208-E212 WeakPolarHBondContact O-CG 3.32Å; F208-E212 PolarHBondContact O-N 3.48Å; E212-K215 PolarHBondContact O-N 3.33Å; E212-Y216 VanDerWaalsContact O-CB 3.24Å; E212-Y216 WeakPolarHBondContact O-CB 3.16Å; E212-Y216 PolarHBondContact O-N 2.83Å; E212-K225 IonicContact OE2-NZ 3.1Å; E212-K225 PolarHBondContact OE2-NZ 2.86Å |
| 213 | G | 84.9 | Confident | 82.5 | Confident | 22 Ų | 22 | 62 Ų | 62 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G209 Y216 L217 | G209-G213 WeakPolarHBondContact O-CA 3.48Å; G209-G213 PolarHBondContact O-N 3.31Å; G213-Y216 PolarHBondContact O-N 3.36Å; G213-L217 VanDerWaalsContact O-CG 3.32Å; G213-L217 WeakPolarHBondContact O-CG 3.18Å; G213-L217 PolarHBondContact O-N 3.48Å |
| 214 | A | 86.5 | Confident | 81.5 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A210 Y211 L217 L218 C236 L239 | A210-A214 WeakPolarHBondContact O-CB 3.47Å; A210-A214 PolarHBondContact O-N 2.88Å; Y211-A214 PolarHBondContact O-N 2.84Å; A214-L217 PolarHBondContact O-N 2.91Å; A214-L218 WeakPolarHBondContact O-CB 3.49Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.02Å; A214-L218 VanDerWaalsContact O-N 3.1Å; A214-C236 HydrophobicContact CB-CB 4.03Å; A214-L239 HydrophobicContact CB-CD1 4.25Å |
| 215 | K | 82.8 | Confident | 80.3 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 172.4 | -85.7 | -157 | 145.9 | -154.8 | 0 | 110.9 | Y211 E212 L217 L218 T219 K225 I228 C236 | Y211-K215 HydrophobicContact CE1-CD 3.9Å; Y211-K215 HydrophobicContact CE1-CG 4.44Å; Y211-K215 HydrophobicContact CE2-CD 4.48Å; Y211-K215 WeakPolarHBondContact O-CB 3.41Å; Y211-K215 PolarHBondContact O-N 3.3Å; Y211-K215 VanDerWaalsContact OH-CE 3.31Å; Y211-K215 WeakPolarHBondContact OH-CE 3.37Å; E212-K215 PolarHBondContact O-N 3.33Å; K215-L217 VanDerWaalsContact C-N 3.3Å; K215-L217 PolarHBondContact O-N 3.49Å; K215-L218 CarbonylContact O-C 3.57Å; K215-L218 PolarHBondContact O-N 3.27Å; K215-T219 PolarHBondContact O-N 3.41Å; K215-T219 PolarHBondContact O-OG1 3.48Å; K215-K225 PolarHBondContact NZ-O 3.27Å; K215-I228 HydrophobicContact CB-CD1 3.87Å; K215-I228 HydrophobicContact CD-CD1 4.08Å; K215-I228 HydrophobicContact CG-CD1 3.83Å; K215-C236 HydrophobicContact CG-CB 4.25Å |
| 216 | Y | 81.9 | Confident | 78.9 | Confident | 146 Ų | 146 | 71.8 Ų | 71.8 | 57% | 0.573 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.9 | -41.8 | -179.6 | 179.6 | -99.1 | 0 | 0 | 0 | 112.8 | E212 G213 L218 | E212-Y216 VanDerWaalsContact O-CB 3.24Å; E212-Y216 WeakPolarHBondContact O-CB 3.16Å; E212-Y216 PolarHBondContact O-N 2.83Å; G213-Y216 PolarHBondContact O-N 3.36Å; Y216-L218 VanDerWaalsContact C-N 3.32Å; Y216-L218 PolarHBondContact O-N 3.23Å |
| 217 | L | 84.5 | Confident | 77.6 | Confident | 141 Ų | 141 | 72.5 Ų | 72.5 | 74% | 0.738 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.4 | -22.2 | 177.8 | -69.1 | 172.9 | 0 | 0 | 0 | 114.1 | G213 A214 K215 | G213-L217 VanDerWaalsContact O-CG 3.32Å; G213-L217 WeakPolarHBondContact O-CG 3.18Å; G213-L217 PolarHBondContact O-N 3.48Å; A214-L217 PolarHBondContact O-N 2.91Å; K215-L217 VanDerWaalsContact C-N 3.3Å; K215-L217 PolarHBondContact O-N 3.49Å |
| 218 | L | 84 | Confident | 76.6 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 42% | 0.419 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -104.4 | -10 | -176.8 | -64.3 | 172.8 | 0 | 0 | 0 | 113.1 | A214 K215 Y216 T232 F235 | A214-L218 WeakPolarHBondContact O-CB 3.49Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.02Å; A214-L218 VanDerWaalsContact O-N 3.1Å; K215-L218 CarbonylContact O-C 3.57Å; K215-L218 PolarHBondContact O-N 3.27Å; Y216-L218 VanDerWaalsContact C-N 3.32Å; Y216-L218 PolarHBondContact O-N 3.23Å; L218-T232 HydrophobicContact CB-CG2 3.84Å; L218-T232 HydrophobicContact CD1-CG2 3.68Å; L218-T232 HydrophobicContact CG-CG2 4.32Å; L218-F235 HydrophobicContact CD1-CD1 4.24Å |
| 219 | T | 78.6 | Confident | 76.3 | Confident | 25 Ų | 25 | 74.4 Ų | 74.4 | 15% | 0.153 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -69.4 | 127.2 | 167.5 | -54.6 | 0 | 0 | 0 | 0 | 108.7 | K215 G223 I228 | K215-T219 PolarHBondContact O-N 3.41Å; K215-T219 PolarHBondContact O-OG1 3.48Å; T219-G223 WeakPolarHBondContact CG2-O 3.3Å; T219-I228 WeakPolarHBondContact OG1-CD1 3.24Å |
| 220 | P | 74.4 | Confident | 75.6 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 52% | 0.519 | 41% | 0.411 | S | S | . | . | trans | -57 | 149.6 | 171.1 | -21.8 | 32.8 | 0 | 0 | 0 | 111.7 | D222 G223 | P220-D222 PolarHBondContact O-N 3.21Å; P220-D222 VanDerWaalsContact O-N 3.12Å; P220-G223 PolarHBondContact O-N 3.25Å | ||
| 221 | E | 66.9 | Low | 75 | Confident | 204 Ų | 204 | 80.2 Ų | 80.2 | 95% | 0.953 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.9 | -176.4 | -67.9 | -175.4 | 162.1 | 0 | 0 | 113.7 | ||
| 222 | D | 69.1 | Low | 74.7 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 91% | 0.909 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 0.5 | 178.6 | -59.9 | -40.4 | 0 | 0 | 0 | 113.7 | P220 | P220-D222 PolarHBondContact O-N 3.21Å; P220-D222 VanDerWaalsContact O-N 3.12Å |
| 223 | G | 64.1 | Low | 74.6 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 19% | 0.186 | 44% | 0.437 | C | S | . | . | trans | -103.7 | 157.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T219 P220 E227 | T219-G223 WeakPolarHBondContact CG2-O 3.3Å; P220-G223 PolarHBondContact O-N 3.25Å; G223-E227 WeakPolarHBondContact CA-OE2 3.47Å | ||
| 224 | T | 66.7 | Low | 74.2 | Confident | 77 Ų | 77 | 80.5 Ų | 80.5 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | trans | -86.4 | 156.5 | 171.2 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | D226 E227 | T224-D226 PolarHBondContact O-N 3.37Å; T224-E227 VanDerWaalsContact N-CD 3.31Å; T224-E227 PolarHBondContact N-OE1 3.07Å; T224-E227 WeakPolarHBondContact O-CB 3.44Å; T224-E227 PolarHBondContact O-N 2.91Å; T224-E227 WeakPolarHBondContact OG1-CG 3.49Å; T224-E227 PolarHBondContact OG1-OE1 3.44Å | ||
| 225 | K | 63.7 | Low | 74 | Confident | 70 Ų | 70 | 85.9 Ų | 85.9 | 30% | 0.304 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -17.1 | 175.2 | -72.4 | -174.2 | -179.6 | -177.9 | 0 | 113.8 | E212 K215 | E212-K225 IonicContact OE2-NZ 3.1Å; E212-K225 PolarHBondContact OE2-NZ 2.86Å; K215-K225 PolarHBondContact NZ-O 3.27Å |
| 226 | D | 61.9 | Low | 74.1 | Confident | 149 Ų | 149 | 84.9 Ų | 84.9 | 80% | 0.797 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -14.7 | -179.6 | -62.7 | -33.5 | 0 | 0 | 0 | 112.8 | T224 I228 | T224-D226 PolarHBondContact O-N 3.37Å; D226-I228 VanDerWaalsContact C-N 3.29Å |
| 227 | E | 61.9 | Low | 74.1 | Confident | 115 Ų | 115 | 79 Ų | 79 | 54% | 0.537 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -80.6 | -11.3 | 174.5 | -74.1 | 161.3 | -132.6 | 0 | 0 | 113.3 | G223 T224 N229 | G223-E227 WeakPolarHBondContact CA-OE2 3.47Å; T224-E227 VanDerWaalsContact N-CD 3.31Å; T224-E227 PolarHBondContact N-OE1 3.07Å; T224-E227 WeakPolarHBondContact O-CB 3.44Å; T224-E227 PolarHBondContact O-N 2.91Å; T224-E227 WeakPolarHBondContact OG1-CG 3.49Å; T224-E227 PolarHBondContact OG1-OE1 3.44Å; E227-N229 PolarHBondContact O-N 3.4Å; E227-N229 VanDerWaalsContact O-N 3.13Å |
| 228 | I | 69.1 | Low | 74.1 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.082 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -63.9 | 118.3 | 176.7 | -59.3 | 176.7 | 0 | 0 | 0 | 108.7 | K215 T219 D226 T232 | K215-I228 HydrophobicContact CB-CD1 3.87Å; K215-I228 HydrophobicContact CD-CD1 4.08Å; K215-I228 HydrophobicContact CG-CD1 3.83Å; T219-I228 WeakPolarHBondContact OG1-CD1 3.24Å; D226-I228 VanDerWaalsContact C-N 3.29Å; I228-T232 HydrophobicContact CG2-CG2 3.34Å |
| 229 | N | 76.7 | Confident | 74.2 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | trans | -57 | 157.7 | -179.8 | 74.6 | 50.2 | 0 | 0 | 0 | 112.1 | E227 I231 T232 T233 | E227-N229 PolarHBondContact O-N 3.4Å; E227-N229 VanDerWaalsContact O-N 3.13Å; N229-I231 VanDerWaalsContact C-N 3.28Å; N229-I231 PolarHBondContact O-N 3.27Å; N229-I231 WeakPolarHBondContact OD1-CA 3.29Å; N229-I231 WeakPolarHBondContact OD1-CB 3.45Å; N229-I231 PolarHBondContact OD1-N 3.05Å; N229-I231 VanDerWaalsContact OD1-N 3.08Å; N229-T232 PolarHBondContact ND2-OG1 2.96Å; N229-T232 PolarHBondContact O-N 3.44Å; N229-T232 PolarHBondContact OD1-N 3.38Å; N229-T232 PolarHBondContact OD1-OG1 3.14Å; N229-T232 VanDerWaalsContact OD1-OG1 3.11Å; N229-T233 PolarHBondContact O-N 2.81Å; N229-T233 PolarHBondContact O-OG1 3.49Å | ||
| 230 | G | 72.8 | Confident | 74.6 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 55% | 0.546 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -51.9 | -45.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T232 T233 C234 | G230-T232 PolarHBondContact O-N 2.98Å; G230-T233 WeakPolarHBondContact O-CB 3.33Å; G230-T233 PolarHBondContact O-N 3.45Å; G230-C234 PolarHBondContact O-N 3.46Å; G230-C234 PolarHBondContact O-SG 3.23Å |
| 231 | I | 76.2 | Confident | 75.2 | Confident | 125 Ų | 125 | 67.9 Ų | 67.9 | 64% | 0.641 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | -178.8 | -61 | 172.3 | 0 | 0 | 0 | 111.8 | N229 T233 C234 F235 | N229-I231 VanDerWaalsContact C-N 3.28Å; N229-I231 PolarHBondContact O-N 3.27Å; N229-I231 WeakPolarHBondContact OD1-CA 3.29Å; N229-I231 WeakPolarHBondContact OD1-CB 3.45Å; N229-I231 PolarHBondContact OD1-N 3.05Å; N229-I231 VanDerWaalsContact OD1-N 3.08Å; I231-T233 VanDerWaalsContact C-N 3.35Å; I231-C234 WeakPolarHBondContact O-CB 3.45Å; I231-C234 PolarHBondContact O-N 3.13Å; I231-F235 PolarHBondContact O-N 2.91Å |
| 232 | T | 80 | Confident | 76.2 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | L218 I228 N229 G230 C234 F235 C236 | L218-T232 HydrophobicContact CB-CG2 3.84Å; L218-T232 HydrophobicContact CD1-CG2 3.68Å; L218-T232 HydrophobicContact CG-CG2 4.32Å; I228-T232 HydrophobicContact CG2-CG2 3.34Å; N229-T232 PolarHBondContact ND2-OG1 2.96Å; N229-T232 PolarHBondContact O-N 3.44Å; N229-T232 PolarHBondContact OD1-N 3.38Å; N229-T232 PolarHBondContact OD1-OG1 3.14Å; N229-T232 VanDerWaalsContact OD1-OG1 3.11Å; G230-T232 PolarHBondContact O-N 2.98Å; T232-C234 VanDerWaalsContact C-N 3.29Å; T232-C234 PolarHBondContact O-N 3.44Å; T232-F235 WeakPolarHBondContact O-CB 3.36Å; T232-F235 PolarHBondContact O-N 3.15Å; T232-F235 VanDerWaalsContact O-N 3.14Å; T232-C236 PolarHBondContact O-N 3.01Å; T232-C236 PolarHBondContact O-SG 2.91Å |
| 233 | T | 79 | Confident | 77.2 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 172 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | Y211 N229 G230 I231 C236 G237 | Y211-T233 HydrophobicContact CE2-CG2 4.34Å; N229-T233 PolarHBondContact O-N 2.81Å; N229-T233 PolarHBondContact O-OG1 3.49Å; G230-T233 WeakPolarHBondContact O-CB 3.33Å; G230-T233 PolarHBondContact O-N 3.45Å; I231-T233 VanDerWaalsContact C-N 3.35Å; T233-C236 PolarHBondContact O-N 2.83Å; T233-G237 PolarHBondContact O-N 3.31Å |
| 234 | C | 77.5 | Confident | 78.4 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 172.8 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | G230 I231 T232 G237 G238 F301 | G230-C234 PolarHBondContact O-N 3.46Å; G230-C234 PolarHBondContact O-SG 3.23Å; I231-C234 WeakPolarHBondContact O-CB 3.45Å; I231-C234 PolarHBondContact O-N 3.13Å; T232-C234 VanDerWaalsContact C-N 3.29Å; T232-C234 PolarHBondContact O-N 3.44Å; C234-G237 CarbonylContact O-C 3.54Å; C234-G237 PolarHBondContact O-N 3.47Å; C234-G237 VanDerWaalsContact O-N 3.16Å; C234-G238 PolarHBondContact O-N 2.87Å; C234-F301 HydrophobicContact CB-CD2 3.85Å; C234-F301 HydrophobicContact CB-CE1 4.2Å; C234-F301 HydrophobicContact CB-CE2 3.32Å; C234-F301 HydrophobicContact CB-CZ 3.54Å; C234-F301 WeakPolarHBondContact SG-CD1 3.44Å; C234-F301 WeakPolarHBondContact SG-CD2 3.43Å; C234-F301 WeakPolarHBondContact SG-CE1 3.44Å; C234-F301 WeakPolarHBondContact SG-CE2 3.34Å; C234-F301 VanDerWaalsContact SG-CG 3.53Å; C234-F301 WeakPolarHBondContact SG-CZ 3.29Å |
| 235 | F | 82.9 | Confident | 79.3 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 54% | 0.544 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | -178.2 | -176.5 | -105.7 | 0 | 0 | 0 | 111.1 | L218 I231 T232 G237 G238 L239 | L218-F235 HydrophobicContact CD1-CD1 4.24Å; I231-F235 PolarHBondContact O-N 2.91Å; T232-F235 WeakPolarHBondContact O-CB 3.36Å; T232-F235 PolarHBondContact O-N 3.15Å; T232-F235 VanDerWaalsContact O-N 3.14Å; F235-G237 VanDerWaalsContact C-N 3.31Å; F235-G237 PolarHBondContact O-N 2.88Å; F235-G238 PolarHBondContact O-N 3.42Å; F235-G238 VanDerWaalsContact O-N 3.16Å; F235-L239 HydrophobicContact CD1-CD1 3.93Å; F235-L239 HydrophobicContact CD1-CG 4.36Å; F235-L239 HydrophobicContact CE1-CD1 3.46Å; F235-L239 VanDerWaalsContact CE1-CD1 3.46Å; F235-L239 HydrophobicContact CE1-CG 4.03Å; F235-L239 HydrophobicContact CZ-CD1 3.95Å; F235-L239 HydrophobicContact CZ-CD2 4.22Å; F235-L239 HydrophobicContact CZ-CG 4.13Å; F235-L239 WeakPolarHBondContact O-CG 3.49Å; F235-L239 PolarHBondContact O-N 2.9Å |
| 236 | C | 84.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57 | -44.4 | 171.4 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | Y211 A214 K215 T232 T233 G238 L239 A240 | Y211-C236 HydrophobicContact CD2-CB 3.88Å; Y211-C236 HydrophobicContact CE2-CB 4.03Å; A214-C236 HydrophobicContact CB-CB 4.03Å; K215-C236 HydrophobicContact CG-CB 4.25Å; T232-C236 PolarHBondContact O-N 3.01Å; T232-C236 PolarHBondContact O-SG 2.91Å; T233-C236 PolarHBondContact O-N 2.83Å; C236-G238 PolarHBondContact O-N 3.36Å; C236-L239 PolarHBondContact O-N 3.28Å; C236-A240 VanDerWaalsContact O-CB 3.25Å; C236-A240 WeakPolarHBondContact O-CB 3.42Å; C236-A240 PolarHBondContact O-N 3.02Å |
| 237 | G | 82 | Confident | 81.8 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T233 C234 F235 A240 G241 | T233-G237 PolarHBondContact O-N 3.31Å; C234-G237 CarbonylContact O-C 3.54Å; C234-G237 PolarHBondContact O-N 3.47Å; C234-G237 VanDerWaalsContact O-N 3.16Å; F235-G237 VanDerWaalsContact C-N 3.31Å; F235-G237 PolarHBondContact O-N 2.88Å; G237-A240 PolarHBondContact O-N 3.48Å; G237-G241 PolarHBondContact O-N 2.86Å |
| 238 | G | 83.9 | Confident | 83.1 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C234 F235 C236 A240 G241 I242 | C234-G238 PolarHBondContact O-N 2.87Å; F235-G238 PolarHBondContact O-N 3.42Å; F235-G238 VanDerWaalsContact O-N 3.16Å; C236-G238 PolarHBondContact O-N 3.36Å; G238-A240 VanDerWaalsContact C-N 3.33Å; G238-A240 PolarHBondContact O-N 3.3Å; G238-G241 PolarHBondContact O-N 3.03Å; G238-I242 WeakPolarHBondContact O-CG1 3.35Å; G238-I242 PolarHBondContact O-N 3.49Å |
| 239 | L | 87.1 | Confident | 84 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 174.1 | -70.7 | -179 | 0 | 0 | 0 | 111.7 | A214 F235 C236 G241 I242 A243 | A214-L239 HydrophobicContact CB-CD1 4.25Å; F235-L239 HydrophobicContact CD1-CD1 3.93Å; F235-L239 HydrophobicContact CD1-CG 4.36Å; F235-L239 HydrophobicContact CE1-CD1 3.46Å; F235-L239 VanDerWaalsContact CE1-CD1 3.46Å; F235-L239 HydrophobicContact CE1-CG 4.03Å; F235-L239 HydrophobicContact CZ-CD1 3.95Å; F235-L239 HydrophobicContact CZ-CD2 4.22Å; F235-L239 HydrophobicContact CZ-CG 4.13Å; F235-L239 WeakPolarHBondContact O-CG 3.49Å; F235-L239 PolarHBondContact O-N 2.9Å; C236-L239 PolarHBondContact O-N 3.28Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3Å; L239-I242 PolarHBondContact O-N 3.31Å; L239-A243 PolarHBondContact O-N 2.94Å |
| 240 | A | 87 | Confident | 84.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | F207 A210 C236 G237 G238 I242 A243 F244 | F207-A240 HydrophobicContact CD1-CB 4.37Å; F207-A240 VanDerWaalsContact CD2-C 3.48Å; F207-A240 HydrophobicContact CD2-CB 3.68Å; F207-A240 WeakPolarHBondContact CD2-O 3.18Å; F207-A240 HydrophobicContact CE1-CB 4.35Å; F207-A240 HydrophobicContact CE2-CB 3.66Å; F207-A240 HydrophobicContact CG-CB 4.04Å; F207-A240 HydrophobicContact CZ-CB 4.01Å; F207-A240 VanDerWaalsContact O-CB 3.27Å; F207-A240 WeakPolarHBondContact O-CB 3.41Å; A210-A240 HydrophobicContact CB-CB 4.44Å; C236-A240 VanDerWaalsContact O-CB 3.25Å; C236-A240 WeakPolarHBondContact O-CB 3.42Å; C236-A240 PolarHBondContact O-N 3.02Å; G237-A240 PolarHBondContact O-N 3.48Å; G238-A240 VanDerWaalsContact C-N 3.33Å; G238-A240 PolarHBondContact O-N 3.3Å; A240-I242 PolarHBondContact O-N 2.92Å; A240-A243 PolarHBondContact O-N 3.25Å; A240-F244 WeakPolarHBondContact O-CB 3.31Å; A240-F244 PolarHBondContact O-N 3.02Å |
| 241 | G | 85.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G237 G238 L239 F244 W245 | G237-G241 PolarHBondContact O-N 2.86Å; G238-G241 PolarHBondContact O-N 3.03Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3Å; G241-F244 PolarHBondContact O-N 3.48Å; G241-W245 PolarHBondContact O-N 2.93Å |
| 242 | I | 88.7 | Confident | 85.6 | Confident | 64 Ų | 64 | 30.2 Ų | 30.2 | 33% | 0.328 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 176 | -67 | 166.1 | 0 | 0 | 0 | 110.8 | G238 L239 A240 W245 T246 I290 | G238-I242 WeakPolarHBondContact O-CG1 3.35Å; G238-I242 PolarHBondContact O-N 3.49Å; L239-I242 PolarHBondContact O-N 3.31Å; A240-I242 PolarHBondContact O-N 2.92Å; I242-W245 PolarHBondContact O-N 2.89Å; I242-T246 VanDerWaalsContact O-CB 3.22Å; I242-T246 WeakPolarHBondContact O-CB 3.14Å; I242-T246 PolarHBondContact O-N 3.24Å; I242-T246 PolarHBondContact O-OG1 3.5Å; I242-I290 HydrophobicContact CD1-CG2 4.42Å; I242-I290 HydrophobicContact CG1-CG2 4.29Å |
| 243 | A | 89.4 | Confident | 85.8 | Confident | 29 Ų | 29 | 29 Ų | 29 | 24% | 0.24 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F206 A210 L239 A240 S247 | F206-A243 HydrophobicContact CB-CB 4.5Å; A210-A243 HydrophobicContact CB-CB 3.56Å; L239-A243 PolarHBondContact O-N 2.94Å; A240-A243 PolarHBondContact O-N 3.25Å; A243-S247 WeakPolarHBondContact O-CB 3.41Å; A243-S247 PolarHBondContact O-N 3.33Å; A243-S247 PolarHBondContact O-OG 2.92Å; A243-S247 VanDerWaalsContact O-OG 3.08Å |
| 244 | F | 88.9 | Confident | 86 | Confident | 17 Ų | 17 | 27.2 Ų | 27.2 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.2 | -61.8 | 172 | 179.2 | -86.7 | 0 | 0 | 0 | 110.2 | G203 Y204 F207 A240 G241 T246 S247 I248 | G203-F244 WeakPolarHBondContact O-CD2 3.28Å; Y204-F244 HydrophobicContact CD2-CE2 4.09Å; Y204-F244 HydrophobicContact CE2-CE2 4.23Å; Y204-F244 HydrophobicContact CG-CE2 4.43Å; F207-F244 HydrophobicContact CB-CB 4.07Å; F207-F244 HydrophobicContact CB-CD2 4.03Å; F207-F244 HydrophobicContact CD2-CB 4.05Å; A240-F244 WeakPolarHBondContact O-CB 3.31Å; A240-F244 PolarHBondContact O-N 3.02Å; G241-F244 PolarHBondContact O-N 3.48Å; F244-T246 VanDerWaalsContact C-N 3.32Å; F244-T246 PolarHBondContact O-N 2.91Å; F244-S247 PolarHBondContact O-N 3.12Å; F244-S247 VanDerWaalsContact O-N 3.17Å; F244-S247 PolarHBondContact O-OG 2.74Å; F244-I248 HydrophobicContact CD1-CD1 3.97Å; F244-I248 HydrophobicContact CD1-CG1 4.13Å; F244-I248 HydrophobicContact CE1-CD1 3.29Å; F244-I248 HydrophobicContact CE1-CG1 3.96Å; F244-I248 HydrophobicContact CZ-CD1 3.71Å; F244-I248 HydrophobicContact CZ-CG1 4.47Å; F244-I248 VanDerWaalsContact O-CG1 3.3Å; F244-I248 WeakPolarHBondContact O-CG1 3.41Å; F244-I248 PolarHBondContact O-N 3.25Å; F244-I248 VanDerWaalsContact O-N 3.11Å |
| 245 | W | 86.9 | Confident | 86.2 | Confident | 41 Ų | 41 | 27.1 Ų | 27.1 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | -173.6 | -73.5 | 115.3 | 0 | 0 | 0 | 112.3 | G241 I242 I248 F249 L286 T289 T293 | G241-W245 PolarHBondContact O-N 2.93Å; I242-W245 PolarHBondContact O-N 2.89Å; W245-I248 HydrophobicContact CE3-CD1 3.91Å; W245-I248 HydrophobicContact CE3-CG1 4.28Å; W245-I248 HydrophobicContact CZ3-CD1 3.84Å; W245-F249 WeakPolarHBondContact O-CA 3.41Å; W245-F249 WeakPolarHBondContact O-CB 3.37Å; W245-F249 PolarHBondContact O-N 3.25Å; W245-L286 HydrophobicContact CB-CD1 4.35Å; W245-T289 HydrophobicContact CB-CG2 4.1Å; W245-T289 HydrophobicContact CD2-CG2 3.43Å; W245-T289 VanDerWaalsContact CD2-CG2 3.43Å; W245-T289 HydrophobicContact CE3-CG2 3.82Å; W245-T289 HydrophobicContact CG-CG2 3.54Å; W245-T293 PolarHBondContact NE1-OG1 3.16Å |
| 246 | T | 89.3 | Confident | 85.9 | Confident | 51 Ų | 51 | 21.8 Ų | 21.8 | 31% | 0.313 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -67 | -36.9 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | I242 F244 Y283 | I242-T246 VanDerWaalsContact O-CB 3.22Å; I242-T246 WeakPolarHBondContact O-CB 3.14Å; I242-T246 PolarHBondContact O-N 3.24Å; I242-T246 PolarHBondContact O-OG1 3.5Å; F244-T246 VanDerWaalsContact C-N 3.32Å; F244-T246 PolarHBondContact O-N 2.91Å; T246-Y283 HydrophobicContact CG2-CE1 4.31Å; T246-Y283 WeakPolarHBondContact O-CE1 3.38Å |
| 247 | S | 89.2 | Confident | 85.6 | Confident | 38 Ų | 38 | 23.2 Ų | 23.2 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -71.5 | -42.3 | 179.2 | 65 | 0 | 0 | 0 | 0 | 112.9 | F206 A243 F244 | F206-S247 VanDerWaalsContact CD2-OG 3.31Å; F206-S247 WeakPolarHBondContact CD2-OG 3.45Å; A243-S247 WeakPolarHBondContact O-CB 3.41Å; A243-S247 PolarHBondContact O-N 3.33Å; A243-S247 PolarHBondContact O-OG 2.92Å; A243-S247 VanDerWaalsContact O-OG 3.08Å; F244-S247 PolarHBondContact O-N 3.12Å; F244-S247 VanDerWaalsContact O-N 3.17Å; F244-S247 PolarHBondContact O-OG 2.74Å |
| 248 | I | 88.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 23.9 Ų | 23.9 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -89.7 | -12.5 | -175.5 | 65.5 | 149.2 | 0 | 0 | 0 | 113.9 | R199 F244 W245 P250 A251 D252 | R199-I248 HydrophobicContact CG-CB 4.06Å; R199-I248 HydrophobicContact CG-CD1 3.63Å; R199-I248 HydrophobicContact CG-CG1 4.48Å; R199-I248 HydrophobicContact CG-CG2 4.29Å; R199-I248 VanDerWaalsContact O-CG2 3.29Å; R199-I248 WeakPolarHBondContact O-CG2 3.28Å; F244-I248 HydrophobicContact CD1-CD1 3.97Å; F244-I248 HydrophobicContact CD1-CG1 4.13Å; F244-I248 HydrophobicContact CE1-CD1 3.29Å; F244-I248 HydrophobicContact CE1-CG1 3.96Å; F244-I248 HydrophobicContact CZ-CD1 3.71Å; F244-I248 HydrophobicContact CZ-CG1 4.47Å; F244-I248 VanDerWaalsContact O-CG1 3.3Å; F244-I248 WeakPolarHBondContact O-CG1 3.41Å; F244-I248 PolarHBondContact O-N 3.25Å; F244-I248 VanDerWaalsContact O-N 3.11Å; W245-I248 HydrophobicContact CE3-CD1 3.91Å; W245-I248 HydrophobicContact CE3-CG1 4.28Å; W245-I248 HydrophobicContact CZ3-CD1 3.84Å; I248-P250 VanDerWaalsContact C-CD 3.48Å; I248-A251 WeakPolarHBondContact O-CB 3.28Å; I248-A251 PolarHBondContact O-N 2.97Å; I248-D252 PolarHBondContact O-N 2.93Å |
| 249 | F | 87.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -52.6 | -44.8 | -172.6 | -140.8 | -92.3 | 0 | 0 | 0 | 114.3 | W245 A251 D252 V253 L282 Y283 C284 G285 L286 T289 | W245-F249 WeakPolarHBondContact O-CA 3.41Å; W245-F249 WeakPolarHBondContact O-CB 3.37Å; W245-F249 PolarHBondContact O-N 3.25Å; F249-A251 VanDerWaalsContact C-N 3.3Å; F249-A251 PolarHBondContact O-N 3.02Å; F249-D252 WeakPolarHBondContact O-CB 3.43Å; F249-D252 PolarHBondContact O-N 3.08Å; F249-D252 VanDerWaalsContact O-N 3.16Å; F249-V253 HydrophobicContact CD1-CG2 3.78Å; F249-V253 HydrophobicContact CE1-CG2 3.66Å; F249-V253 PolarHBondContact O-N 2.99Å; F249-L282 WeakPolarHBondContact CD1-O 3.39Å; F249-Y283 HydrophobicContact CB-CD1 3.93Å; F249-Y283 HydrophobicContact CB-CE1 4.11Å; F249-Y283 HydrophobicContact CD1-CD1 4.39Å; F249-Y283 HydrophobicContact CG-CD1 4.41Å; F249-C284 VanDerWaalsContact CE1-O 3.29Å; F249-C284 WeakPolarHBondContact CE1-O 3.39Å; F249-G285 WeakPolarHBondContact CZ-O 3.44Å; F249-L286 HydrophobicContact CB-CD1 4.47Å; F249-L286 HydrophobicContact CD1-CB 4.28Å; F249-L286 HydrophobicContact CD2-CB 4.28Å; F249-L286 HydrophobicContact CD2-CD1 3.63Å; F249-L286 HydrophobicContact CE1-CB 4.23Å; F249-L286 HydrophobicContact CE2-CB 4.24Å; F249-L286 HydrophobicContact CE2-CD1 4.13Å; F249-L286 HydrophobicContact CG-CB 4.3Å; F249-L286 HydrophobicContact CG-CD1 4.03Å; F249-L286 HydrophobicContact CZ-CB 4.23Å; F249-T289 HydrophobicContact CE2-CG2 4.3Å; F249-T289 WeakPolarHBondContact CE2-OG1 3.33Å |
| 250 | P | 88.8 | Confident | 83.9 | Confident | 20 Ų | 20 | 26.4 Ų | 26.4 | 13% | 0.13 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 177.6 | -27.6 | 37.6 | 0 | 0 | 0 | 113.1 | I248 V253 V254 F270 L282 Y283 | I248-P250 VanDerWaalsContact C-CD 3.48Å; P250-V253 PolarHBondContact O-N 3.31Å; P250-V254 WeakPolarHBondContact O-CG2 3.44Å; P250-V254 PolarHBondContact O-N 3.43Å; P250-F270 HydrophobicContact CB-CE2 4.5Å; P250-L282 HydrophobicContact CB-CB 4.05Å; P250-L282 HydrophobicContact CB-CD1 4.31Å; P250-L282 HydrophobicContact CB-CD2 4.33Å; P250-L282 HydrophobicContact CB-CG 4.48Å; P250-L282 HydrophobicContact CG-CB 4.28Å; P250-Y283 HydrophobicContact CG-CE1 4.07Å; P250-Y283 HydrophobicContact CG-CE2 4.24Å |
| 251 | A | 86.7 | Confident | 83.2 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 21% | 0.207 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I248 F249 V254 K255 F266 | I248-A251 WeakPolarHBondContact O-CB 3.28Å; I248-A251 PolarHBondContact O-N 2.97Å; F249-A251 VanDerWaalsContact C-N 3.3Å; F249-A251 PolarHBondContact O-N 3.02Å; A251-V254 PolarHBondContact O-N 3.09Å; A251-K255 VanDerWaalsContact O-CB 3.23Å; A251-K255 WeakPolarHBondContact O-CB 3.29Å; A251-K255 PolarHBondContact O-N 2.75Å; A251-F266 HydrophobicContact CB-CE2 4.26Å; A251-F266 HydrophobicContact CB-CZ 4.08Å |
| 252 | D | 84.5 | Confident | 82.3 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 175 | -112.4 | 20.6 | 0 | 0 | 0 | 111.4 | K53 R199 I248 F249 V254 K255 S256 | K53-D252 IonicContact NZ-OD2 3.68Å; K53-D252 PolarHBondContact NZ-OD2 2.75Å; R199-D252 WeakPolarHBondContact CD-OD1 3.36Å; R199-D252 IonicContact NE-OD1 3.94Å; R199-D252 IonicContact NH1-OD1 2.77Å; I248-D252 PolarHBondContact O-N 2.93Å; F249-D252 WeakPolarHBondContact O-CB 3.43Å; F249-D252 PolarHBondContact O-N 3.08Å; F249-D252 VanDerWaalsContact O-N 3.16Å; D252-V254 PolarHBondContact O-N 2.89Å; D252-K255 PolarHBondContact O-N 2.95Å; D252-S256 PolarHBondContact O-N 3.46Å; D252-S256 PolarHBondContact O-OG 2.85Å; D252-S256 VanDerWaalsContact O-OG 3.09Å |
| 253 | V | 83.3 | Confident | 81.5 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 178.2 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | F249 P250 S256 K257 L282 | F249-V253 HydrophobicContact CD1-CG2 3.78Å; F249-V253 HydrophobicContact CE1-CG2 3.66Å; F249-V253 PolarHBondContact O-N 2.99Å; P250-V253 PolarHBondContact O-N 3.31Å; V253-S256 PolarHBondContact O-N 2.85Å; V253-K257 HydrophobicContact CG1-CD 4.48Å; V253-K257 PolarHBondContact O-N 3.48Å; V253-L282 WeakPolarHBondContact CG2-O 3.43Å |
| 254 | V | 84.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 111 | P250 A251 D252 S256 K257 I258 F266 T269 F270 L282 | P250-V254 WeakPolarHBondContact O-CG2 3.44Å; P250-V254 PolarHBondContact O-N 3.43Å; A251-V254 PolarHBondContact O-N 3.09Å; D252-V254 PolarHBondContact O-N 2.89Å; V254-S256 PolarHBondContact O-N 3.32Å; V254-K257 PolarHBondContact O-N 3.38Å; V254-I258 HydrophobicContact CG1-CD1 3.93Å; V254-I258 WeakPolarHBondContact O-CG1 3.39Å; V254-I258 PolarHBondContact O-N 3.1Å; V254-F266 HydrophobicContact CB-CD2 4.17Å; V254-F266 HydrophobicContact CB-CE2 3.78Å; V254-F266 HydrophobicContact CB-CZ 4.16Å; V254-F266 HydrophobicContact CG1-CD1 4.38Å; V254-F266 HydrophobicContact CG1-CD2 3.43Å; V254-F266 VanDerWaalsContact CG1-CD2 3.43Å; V254-F266 HydrophobicContact CG1-CE1 4.49Å; V254-F266 HydrophobicContact CG1-CE2 3.58Å; V254-F266 HydrophobicContact CG1-CG 3.87Å; V254-F266 HydrophobicContact CG1-CZ 4.12Å; V254-T269 HydrophobicContact CG1-CG2 4.06Å; V254-F270 HydrophobicContact CG2-CB 3.93Å; V254-F270 HydrophobicContact CG2-CD2 3.96Å; V254-F270 HydrophobicContact CG2-CG 4.42Å; V254-L282 HydrophobicContact CG2-CD2 4.28Å |
| 255 | K | 81.8 | Confident | 80.7 | Confident | 24 Ų | 24 | 39 Ų | 39 | 10% | 0.104 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.3 | -50.9 | 174.9 | 176.9 | 179.2 | 171.5 | 179.2 | 0 | 110.6 | E148 A251 D252 K257 I258 Q259 | E148-K255 IonicContact OE1-NZ 2.65Å; E148-K255 IonicContact OE2-NZ 3.3Å; E148-K255 PolarHBondContact OE2-NZ 3.46Å; A251-K255 VanDerWaalsContact O-CB 3.23Å; A251-K255 WeakPolarHBondContact O-CB 3.29Å; A251-K255 PolarHBondContact O-N 2.75Å; D252-K255 PolarHBondContact O-N 2.95Å; K255-K257 PolarHBondContact O-N 3.2Å; K255-I258 PolarHBondContact O-N 2.85Å; K255-Q259 HydrophobicContact CG-CG 4.42Å; K255-Q259 WeakPolarHBondContact O-CB 3.49Å; K255-Q259 VanDerWaalsContact O-CG 3.24Å; K255-Q259 WeakPolarHBondContact O-CG 3.49Å; K255-Q259 PolarHBondContact O-N 3.01Å |
| 256 | S | 76.4 | Confident | 80.6 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 179.6 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | D252 V253 V254 Q259 V260 | D252-S256 PolarHBondContact O-N 3.46Å; D252-S256 PolarHBondContact O-OG 2.85Å; D252-S256 VanDerWaalsContact O-OG 3.09Å; V253-S256 PolarHBondContact O-N 2.85Å; V254-S256 PolarHBondContact O-N 3.32Å; S256-Q259 PolarHBondContact O-N 3.4Å; S256-V260 WeakPolarHBondContact O-CG2 3.39Å; S256-V260 PolarHBondContact O-N 3.39Å |
| 257 | K | 76.6 | Confident | 80.7 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 13% | 0.13 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.8 | -83.7 | 176.4 | 171.3 | -97.6 | 0 | 112.7 | V253 V254 K255 Q259 V260 Q261 T269 V273 | V253-K257 HydrophobicContact CG1-CD 4.48Å; V253-K257 PolarHBondContact O-N 3.48Å; V254-K257 PolarHBondContact O-N 3.38Å; K255-K257 PolarHBondContact O-N 3.2Å; K257-Q259 VanDerWaalsContact C-N 3.32Å; K257-Q259 PolarHBondContact O-N 3Å; K257-V260 PolarHBondContact O-N 3.3Å; K257-Q261 WeakPolarHBondContact O-CB 3.44Å; K257-Q261 WeakPolarHBondContact O-CG 3.45Å; K257-Q261 PolarHBondContact O-N 2.9Å; K257-T269 HydrophobicContact CB-CG2 3.79Å; K257-T269 HydrophobicContact CD-CG2 4.35Å; K257-V273 HydrophobicContact CD-CG2 3.32Å |
| 258 | I | 77.7 | Confident | 80.7 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 18% | 0.179 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 175.8 | -67.7 | 170.6 | 0 | 0 | 0 | 110.6 | V254 K255 V260 Q261 G262 F266 T269 | V254-I258 HydrophobicContact CG1-CD1 3.93Å; V254-I258 WeakPolarHBondContact O-CG1 3.39Å; V254-I258 PolarHBondContact O-N 3.1Å; K255-I258 PolarHBondContact O-N 2.85Å; I258-V260 VanDerWaalsContact C-N 3.3Å; I258-V260 PolarHBondContact O-N 3.39Å; I258-Q261 PolarHBondContact O-N 3.43Å; I258-G262 PolarHBondContact O-N 3.16Å; I258-F266 HydrophobicContact CD1-CB 4.45Å; I258-T269 HydrophobicContact CG1-CG2 4.06Å |
| 259 | Q | 71.5 | Confident | 80.6 | Confident | 82 Ų | 82 | 47.4 Ų | 47.4 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 179.1 | -76 | 177.7 | -34.5 | 0 | 0 | 112.8 | K255 S256 K257 | K255-Q259 HydrophobicContact CG-CG 4.42Å; K255-Q259 WeakPolarHBondContact O-CB 3.49Å; K255-Q259 VanDerWaalsContact O-CG 3.24Å; K255-Q259 WeakPolarHBondContact O-CG 3.49Å; K255-Q259 PolarHBondContact O-N 3.01Å; S256-Q259 PolarHBondContact O-N 3.4Å; K257-Q259 VanDerWaalsContact C-N 3.32Å; K257-Q259 PolarHBondContact O-N 3Å |
| 260 | V | 69.2 | Low | 80.7 | Confident | 59 Ų | 59 | 51.1 Ų | 51.1 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.2 | -43.4 | 175.9 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | S58 S256 K257 I258 G262 | S58-V260 VanDerWaalsContact O-CG1 3.29Å; S58-V260 WeakPolarHBondContact O-CG1 3.39Å; S58-V260 WeakPolarHBondContact O-CG2 3.45Å; S256-V260 WeakPolarHBondContact O-CG2 3.39Å; S256-V260 PolarHBondContact O-N 3.39Å; K257-V260 PolarHBondContact O-N 3.3Å; I258-V260 VanDerWaalsContact C-N 3.3Å; I258-V260 PolarHBondContact O-N 3.39Å; V260-G262 PolarHBondContact O-N 3.27Å |
| 261 | Q | 72.5 | Confident | 80.9 | Confident | 116 Ų | 116 | 52.8 Ų | 52.8 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.2 | -18 | -179.7 | -70.1 | 175.5 | -19.5 | 0 | 0 | 112.3 | K257 I258 S263 | K257-Q261 WeakPolarHBondContact O-CB 3.44Å; K257-Q261 WeakPolarHBondContact O-CG 3.45Å; K257-Q261 PolarHBondContact O-N 2.9Å; I258-Q261 PolarHBondContact O-N 3.43Å; Q261-S263 PolarHBondContact O-N 3.42Å; Q261-S263 VanDerWaalsContact O-N 3.12Å |
| 262 | G | 66.3 | Low | 81.1 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 70.8 | -2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | I258 V260 | I258-G262 PolarHBondContact O-N 3.16Å; V260-G262 PolarHBondContact O-N 3.27Å |
| 263 | S | 72.9 | Confident | 81.2 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | trans | -159 | 158.2 | -178.6 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | Q261 | Q261-S263 PolarHBondContact O-N 3.42Å; Q261-S263 VanDerWaalsContact O-N 3.12Å | ||
| 264 | G | 75.2 | Confident | 81.7 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | trans | 136.1 | 151.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 265 | S | 86.2 | Confident | 82.1 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | trans | -89.3 | 143.1 | 171.7 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | L267 T268 T269 | S265-L267 VanDerWaalsContact C-N 3.26Å; S265-L267 PolarHBondContact O-N 2.72Å; S265-T268 WeakPolarHBondContact CB-OG1 3.19Å; S265-T268 PolarHBondContact N-OG1 3.22Å; S265-T268 PolarHBondContact O-N 2.63Å; S265-T268 PolarHBondContact O-OG1 3.4Å; S265-T269 PolarHBondContact O-N 2.77Å; S265-T269 PolarHBondContact O-OG1 3.19Å | ||
| 266 | F | 85 | Confident | 82.4 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 40% | 0.404 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -53 | -45.8 | 177.3 | -172.6 | -85.8 | 0 | 0 | 0 | 111.6 | A251 V254 I258 T269 F270 | A251-F266 HydrophobicContact CB-CE2 4.26Å; A251-F266 HydrophobicContact CB-CZ 4.08Å; V254-F266 HydrophobicContact CB-CD2 4.17Å; V254-F266 HydrophobicContact CB-CE2 3.78Å; V254-F266 HydrophobicContact CB-CZ 4.16Å; V254-F266 HydrophobicContact CG1-CD1 4.38Å; V254-F266 HydrophobicContact CG1-CD2 3.43Å; V254-F266 VanDerWaalsContact CG1-CD2 3.43Å; V254-F266 HydrophobicContact CG1-CE1 4.49Å; V254-F266 HydrophobicContact CG1-CE2 3.58Å; V254-F266 HydrophobicContact CG1-CG 3.87Å; V254-F266 HydrophobicContact CG1-CZ 4.12Å; I258-F266 HydrophobicContact CD1-CB 4.45Å; F266-T269 PolarHBondContact O-N 3.48Å; F266-F270 VanDerWaalsContact O-CB 3.22Å; F266-F270 WeakPolarHBondContact O-CB 3.13Å; F266-F270 PolarHBondContact O-N 3.32Å |
| 267 | L | 89.3 | Confident | 82.9 | Confident | 130 Ų | 130 | 71.6 Ų | 71.6 | 68% | 0.681 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.6 | -40 | -178.2 | -65.5 | 175 | 0 | 0 | 0 | 112.4 | S265 A271 | S265-L267 VanDerWaalsContact C-N 3.26Å; S265-L267 PolarHBondContact O-N 2.72Å; L267-A271 VanDerWaalsContact O-CB 3.32Å; L267-A271 WeakPolarHBondContact O-CB 3.17Å; L267-A271 PolarHBondContact O-N 3.45Å |
| 268 | T | 89.8 | Confident | 83.5 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 53% | 0.528 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69 | -39.6 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | S265 S272 | S265-T268 WeakPolarHBondContact CB-OG1 3.19Å; S265-T268 PolarHBondContact N-OG1 3.22Å; S265-T268 PolarHBondContact O-N 2.63Å; S265-T268 PolarHBondContact O-OG1 3.4Å; T268-S272 WeakPolarHBondContact O-CB 3.46Å; T268-S272 PolarHBondContact O-N 3.24Å |
| 269 | T | 86.1 | Confident | 84 | Confident | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.031 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -74.1 | -36.9 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | V254 K257 I258 S265 F266 S272 V273 | V254-T269 HydrophobicContact CG1-CG2 4.06Å; K257-T269 HydrophobicContact CB-CG2 3.79Å; K257-T269 HydrophobicContact CD-CG2 4.35Å; I258-T269 HydrophobicContact CG1-CG2 4.06Å; S265-T269 PolarHBondContact O-N 2.77Å; S265-T269 PolarHBondContact O-OG1 3.19Å; F266-T269 PolarHBondContact O-N 3.48Å; T269-S272 WeakPolarHBondContact CA-OG 3.2Å; T269-S272 PolarHBondContact O-N 3.46Å; T269-S272 PolarHBondContact O-OG 2.81Å; T269-V273 VanDerWaalsContact O-CG2 3.26Å; T269-V273 WeakPolarHBondContact O-CG2 3.29Å; T269-V273 PolarHBondContact O-N 3.49Å |
| 270 | F | 90.1 | Very high | 84.8 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 34% | 0.342 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 171.1 | -178.7 | -87.8 | 0 | 0 | 0 | 110.9 | P250 V254 F266 S272 V273 V274 L282 | P250-F270 HydrophobicContact CB-CE2 4.5Å; V254-F270 HydrophobicContact CG2-CB 3.93Å; V254-F270 HydrophobicContact CG2-CD2 3.96Å; V254-F270 HydrophobicContact CG2-CG 4.42Å; F266-F270 VanDerWaalsContact O-CB 3.22Å; F266-F270 WeakPolarHBondContact O-CB 3.13Å; F266-F270 PolarHBondContact O-N 3.32Å; F270-S272 VanDerWaalsContact C-N 3.32Å; F270-S272 PolarHBondContact O-N 3.3Å; F270-V273 PolarHBondContact O-N 2.89Å; F270-V274 HydrophobicContact CD1-CG2 4.28Å; F270-V274 HydrophobicContact CE1-CG2 3.9Å; F270-V274 HydrophobicContact CZ-CG2 4.14Å; F270-V274 WeakPolarHBondContact O-CG2 3.25Å; F270-V274 PolarHBondContact O-N 2.8Å; F270-L282 HydrophobicContact CD2-CD1 4.41Å; F270-L282 HydrophobicContact CD2-CD2 3.93Å; F270-L282 HydrophobicContact CE2-CD1 3.57Å; F270-L282 HydrophobicContact CE2-CD2 3.89Å; F270-L282 HydrophobicContact CE2-CG 4.41Å; F270-L282 HydrophobicContact CZ-CD1 3.75Å |
| 271 | A | 92.9 | Very high | 85.5 | Confident | 55 Ų | 55 | 73.1 Ų | 73.1 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L267 R275 | L267-A271 VanDerWaalsContact O-CB 3.32Å; L267-A271 WeakPolarHBondContact O-CB 3.17Å; L267-A271 PolarHBondContact O-N 3.45Å; A271-R275 VanDerWaalsContact O-CB 3.24Å; A271-R275 WeakPolarHBondContact O-CB 3.26Å; A271-R275 PolarHBondContact O-N 3.31Å |
| 272 | S | 90.4 | Very high | 86.2 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 16% | 0.161 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 177.2 | 74.4 | 0 | 0 | 0 | 0 | 112.2 | T268 T269 F270 R275 E276 | T268-S272 WeakPolarHBondContact O-CB 3.46Å; T268-S272 PolarHBondContact O-N 3.24Å; T269-S272 WeakPolarHBondContact CA-OG 3.2Å; T269-S272 PolarHBondContact O-N 3.46Å; T269-S272 PolarHBondContact O-OG 2.81Å; F270-S272 VanDerWaalsContact C-N 3.32Å; F270-S272 PolarHBondContact O-N 3.3Å; S272-R275 PolarHBondContact O-N 3.13Å; S272-E276 WeakPolarHBondContact O-CB 3.3Å; S272-E276 VanDerWaalsContact O-CG 3.27Å; S272-E276 WeakPolarHBondContact O-CG 3.41Å; S272-E276 PolarHBondContact O-N 2.82Å |
| 273 | V | 88 | Confident | 87.2 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.012 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | K257 T269 F270 R275 E276 S277 L282 | K257-V273 HydrophobicContact CD-CG2 3.32Å; T269-V273 VanDerWaalsContact O-CG2 3.26Å; T269-V273 WeakPolarHBondContact O-CG2 3.29Å; T269-V273 PolarHBondContact O-N 3.49Å; F270-V273 PolarHBondContact O-N 2.89Å; V273-R275 VanDerWaalsContact C-N 3.28Å; V273-R275 PolarHBondContact O-N 3.11Å; V273-E276 PolarHBondContact O-N 3.27Å; V273-S277 PolarHBondContact O-N 3.2Å; V273-L282 HydrophobicContact CB-CD2 4.16Å; V273-L282 HydrophobicContact CG1-CD2 3.71Å; V273-L282 HydrophobicContact CG1-CG 4.15Å |
| 274 | V | 93.1 | Very high | 87.7 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 178 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | F270 G278 L282 | F270-V274 HydrophobicContact CD1-CG2 4.28Å; F270-V274 HydrophobicContact CE1-CG2 3.9Å; F270-V274 HydrophobicContact CZ-CG2 4.14Å; F270-V274 WeakPolarHBondContact O-CG2 3.25Å; F270-V274 PolarHBondContact O-N 2.8Å; V274-G278 WeakPolarHBondContact O-CA 3.4Å; V274-G278 PolarHBondContact O-N 3.34Å; V274-L282 HydrophobicContact CG2-CD1 3.71Å; V274-L282 HydrophobicContact CG2-CD2 4.44Å; V274-L282 HydrophobicContact CG2-CG 4.16Å |
| 275 | R | 92.9 | Very high | 88 | Confident | 203 Ų | 203 | 65.4 Ų | 65.4 | 77% | 0.766 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.6 | -39.3 | 177.6 | -174.4 | 178.4 | 63.3 | -174.6 | -0.7 | 113.2 | A271 S272 V273 | A271-R275 VanDerWaalsContact O-CB 3.24Å; A271-R275 WeakPolarHBondContact O-CB 3.26Å; A271-R275 PolarHBondContact O-N 3.31Å; S272-R275 PolarHBondContact O-N 3.13Å; V273-R275 VanDerWaalsContact C-N 3.28Å; V273-R275 PolarHBondContact O-N 3.11Å |
| 276 | E | 89.3 | Confident | 87.9 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -81.3 | -41.6 | -176.1 | -73.5 | 168.2 | -162.7 | 0 | 0 | 113.2 | S272 V273 | S272-E276 WeakPolarHBondContact O-CB 3.3Å; S272-E276 VanDerWaalsContact O-CG 3.27Å; S272-E276 WeakPolarHBondContact O-CG 3.41Å; S272-E276 PolarHBondContact O-N 2.82Å; V273-E276 PolarHBondContact O-N 3.27Å |
| 277 | S | 86 | Confident | 87.9 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 51% | 0.51 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -125.2 | 1.5 | -169.5 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | V273 G281 | V273-S277 PolarHBondContact O-N 3.2Å; S277-G281 PolarHBondContact O-N 3.47Å |
| 278 | G | 88.4 | Confident | 87.6 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | 67.4 | -172.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | V274 A280 G281 | V274-G278 WeakPolarHBondContact O-CA 3.4Å; V274-G278 PolarHBondContact O-N 3.34Å; G278-A280 PolarHBondContact O-N 2.93Å; G278-G281 PolarHBondContact O-N 2.75Å; G278-G281 VanDerWaalsContact O-N 3.08Å |
| 279 | I | 89.6 | Confident | 87.3 | Confident | 118 Ų | 118 | 53.5 Ų | 53.5 | 61% | 0.605 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61 | -34.2 | 176.8 | -61.5 | 171.8 | 0 | 0 | 0 | 111 | G281 L282 Y283 | I279-G281 PolarHBondContact O-N 2.81Å; I279-L282 WeakPolarHBondContact O-CB 3.29Å; I279-L282 PolarHBondContact O-N 2.9Å; I279-Y283 HydrophobicContact CG2-CD2 4.47Å; I279-Y283 HydrophobicContact CG2-CE2 4.16Å; I279-Y283 WeakPolarHBondContact O-CD2 3.48Å |
| 280 | A | 86.8 | Confident | 87.3 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.5 | -30.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G278 L282 Y283 C284 | G278-A280 PolarHBondContact O-N 2.93Å; A280-L282 VanDerWaalsContact C-N 3.26Å; A280-L282 PolarHBondContact O-N 3.46Å; A280-Y283 CarbonylContact O-C 3.59Å; A280-Y283 PolarHBondContact O-N 3.32Å; A280-C284 PolarHBondContact O-N 3.13Å |
| 281 | G | 84.7 | Confident | 87.1 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -32.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S277 G278 I279 Y283 C284 | S277-G281 PolarHBondContact O-N 3.47Å; G278-G281 PolarHBondContact O-N 2.75Å; G278-G281 VanDerWaalsContact O-N 3.08Å; I279-G281 PolarHBondContact O-N 2.81Å; G281-Y283 PolarHBondContact O-N 3.4Å; G281-C284 WeakPolarHBondContact O-CB 3.33Å; G281-C284 PolarHBondContact O-N 2.84Å |
| 282 | L | 86.7 | Confident | 86.7 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -12.3 | 175.7 | -64.1 | 171.8 | 0 | 0 | 0 | 112.9 | F249 P250 V253 V254 F270 V273 V274 I279 A280 | F249-L282 WeakPolarHBondContact CD1-O 3.39Å; P250-L282 HydrophobicContact CB-CB 4.05Å; P250-L282 HydrophobicContact CB-CD1 4.31Å; P250-L282 HydrophobicContact CB-CD2 4.33Å; P250-L282 HydrophobicContact CB-CG 4.48Å; P250-L282 HydrophobicContact CG-CB 4.28Å; V253-L282 WeakPolarHBondContact CG2-O 3.43Å; V254-L282 HydrophobicContact CG2-CD2 4.28Å; F270-L282 HydrophobicContact CD2-CD1 4.41Å; F270-L282 HydrophobicContact CD2-CD2 3.93Å; F270-L282 HydrophobicContact CE2-CD1 3.57Å; F270-L282 HydrophobicContact CE2-CD2 3.89Å; F270-L282 HydrophobicContact CE2-CG 4.41Å; F270-L282 HydrophobicContact CZ-CD1 3.75Å; V273-L282 HydrophobicContact CB-CD2 4.16Å; V273-L282 HydrophobicContact CG1-CD2 3.71Å; V273-L282 HydrophobicContact CG1-CG 4.15Å; V274-L282 HydrophobicContact CG2-CD1 3.71Å; V274-L282 HydrophobicContact CG2-CD2 4.44Å; V274-L282 HydrophobicContact CG2-CG 4.16Å; I279-L282 WeakPolarHBondContact O-CB 3.29Å; I279-L282 PolarHBondContact O-N 2.9Å; A280-L282 VanDerWaalsContact C-N 3.26Å; A280-L282 PolarHBondContact O-N 3.46Å |
| 283 | Y | 88.9 | Confident | 86.4 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 12.7 | 179.2 | -65.9 | -80.1 | 0 | 0 | 0 | 113 | T246 F249 P250 I279 A280 G281 G285 L286 | T246-Y283 HydrophobicContact CG2-CE1 4.31Å; T246-Y283 WeakPolarHBondContact O-CE1 3.38Å; F249-Y283 HydrophobicContact CB-CD1 3.93Å; F249-Y283 HydrophobicContact CB-CE1 4.11Å; F249-Y283 HydrophobicContact CD1-CD1 4.39Å; F249-Y283 HydrophobicContact CG-CD1 4.41Å; P250-Y283 HydrophobicContact CG-CE1 4.07Å; P250-Y283 HydrophobicContact CG-CE2 4.24Å; I279-Y283 HydrophobicContact CG2-CD2 4.47Å; I279-Y283 HydrophobicContact CG2-CE2 4.16Å; I279-Y283 WeakPolarHBondContact O-CD2 3.48Å; A280-Y283 CarbonylContact O-C 3.59Å; A280-Y283 PolarHBondContact O-N 3.32Å; G281-Y283 PolarHBondContact O-N 3.4Å; Y283-G285 PolarHBondContact O-N 3.15Å; Y283-G285 VanDerWaalsContact O-N 3.1Å; Y283-L286 HydrophobicContact CD1-CD2 3.89Å; Y283-L286 VanDerWaalsContact O-CB 3.3Å; Y283-L286 WeakPolarHBondContact O-CB 3.35Å; Y283-L286 PolarHBondContact O-N 3.23Å |
| 284 | C | 82.2 | Confident | 86.2 | Confident | 56 Ų | 56 | 61 Ų | 61 | 38% | 0.378 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 111.1 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 111 | F249 A280 G281 | F249-C284 VanDerWaalsContact CE1-O 3.29Å; F249-C284 WeakPolarHBondContact CE1-O 3.39Å; A280-C284 PolarHBondContact O-N 3.13Å; G281-C284 WeakPolarHBondContact O-CB 3.33Å; G281-C284 PolarHBondContact O-N 2.84Å |
| 285 | G | 81 | Confident | 85.9 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | 1.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | F249 Y283 P288 T289 | F249-G285 WeakPolarHBondContact CZ-O 3.44Å; Y283-G285 PolarHBondContact O-N 3.15Å; Y283-G285 VanDerWaalsContact O-N 3.1Å; G285-P288 VanDerWaalsContact O-CD 3.25Å; G285-P288 WeakPolarHBondContact O-CD 3.38Å; G285-P288 VanDerWaalsContact O-CG 3.23Å; G285-P288 WeakPolarHBondContact O-CG 3.39Å; G285-T289 PolarHBondContact O-N 3.02Å; G285-T289 PolarHBondContact O-OG1 3.19Å |
| 286 | L | 85.5 | Confident | 85.5 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.6 | 179.7 | 66 | 0 | 0 | 0 | 111 | W245 F249 Y283 T289 I290 | W245-L286 HydrophobicContact CB-CD1 4.35Å; F249-L286 HydrophobicContact CB-CD1 4.47Å; F249-L286 HydrophobicContact CD1-CB 4.28Å; F249-L286 HydrophobicContact CD2-CB 4.28Å; F249-L286 HydrophobicContact CD2-CD1 3.63Å; F249-L286 HydrophobicContact CE1-CB 4.23Å; F249-L286 HydrophobicContact CE2-CB 4.24Å; F249-L286 HydrophobicContact CE2-CD1 4.13Å; F249-L286 HydrophobicContact CG-CB 4.3Å; F249-L286 HydrophobicContact CG-CD1 4.03Å; F249-L286 HydrophobicContact CZ-CB 4.23Å; Y283-L286 HydrophobicContact CD1-CD2 3.89Å; Y283-L286 VanDerWaalsContact O-CB 3.3Å; Y283-L286 WeakPolarHBondContact O-CB 3.35Å; Y283-L286 PolarHBondContact O-N 3.23Å; L286-T289 CarbonylContact O-C 3.56Å; L286-T289 WeakPolarHBondContact O-CA 3.4Å; L286-T289 VanDerWaalsContact O-CB 3.3Å; L286-T289 WeakPolarHBondContact O-CB 3.3Å; L286-T289 PolarHBondContact O-N 2.9Å; L286-I290 HydrophobicContact CD1-CD1 4.09Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 HydrophobicContact CD2-CD1 4.12Å; L286-I290 HydrophobicContact CG-CD1 3.76Å; L286-I290 HydrophobicContact CG-CG1 4.2Å; L286-I290 PolarHBondContact O-N 2.87Å |
| 287 | A | 84.4 | Confident | 85.2 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 56% | 0.562 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -54.6 | -54.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T289 I290 V291 | A287-T289 PolarHBondContact O-N 2.84Å; A287-I290 PolarHBondContact O-N 2.81Å; A287-V291 VanDerWaalsContact O-CG2 3.3Å; A287-V291 WeakPolarHBondContact O-CG2 3.24Å; A287-V291 PolarHBondContact O-N 2.71Å |
| 288 | P | 82.3 | Confident | 85.1 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.9 | -28.1 | 175.9 | 21.5 | -31.1 | 0 | 0 | 0 | 112.7 | G285 R292 | G285-P288 VanDerWaalsContact O-CD 3.25Å; G285-P288 WeakPolarHBondContact O-CD 3.38Å; G285-P288 VanDerWaalsContact O-CG 3.23Å; G285-P288 WeakPolarHBondContact O-CG 3.39Å; P288-R292 WeakPolarHBondContact O-CB 3.33Å; P288-R292 PolarHBondContact O-N 3.12Å |
| 289 | T | 84.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | W245 F249 G285 L286 A287 R292 T293 | W245-T289 HydrophobicContact CB-CG2 4.1Å; W245-T289 HydrophobicContact CD2-CG2 3.43Å; W245-T289 VanDerWaalsContact CD2-CG2 3.43Å; W245-T289 HydrophobicContact CE3-CG2 3.82Å; W245-T289 HydrophobicContact CG-CG2 3.54Å; F249-T289 HydrophobicContact CE2-CG2 4.3Å; F249-T289 WeakPolarHBondContact CE2-OG1 3.33Å; G285-T289 PolarHBondContact O-N 3.02Å; G285-T289 PolarHBondContact O-OG1 3.19Å; L286-T289 CarbonylContact O-C 3.56Å; L286-T289 WeakPolarHBondContact O-CA 3.4Å; L286-T289 VanDerWaalsContact O-CB 3.3Å; L286-T289 WeakPolarHBondContact O-CB 3.3Å; L286-T289 PolarHBondContact O-N 2.9Å; A287-T289 PolarHBondContact O-N 2.84Å; T289-R292 WeakPolarHBondContact O-CB 3.46Å; T289-R292 PolarHBondContact O-N 2.95Å; T289-T293 PolarHBondContact O-N 3.16Å; T289-T293 PolarHBondContact O-OG1 2.93Å; T289-T293 VanDerWaalsContact O-OG1 3.04Å |
| 290 | I | 86.9 | Confident | 85.1 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 28% | 0.282 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 175.9 | -69.2 | 172.7 | 0 | 0 | 0 | 110.4 | I242 L286 A287 R292 T293 F294 | I242-I290 HydrophobicContact CD1-CG2 4.42Å; I242-I290 HydrophobicContact CG1-CG2 4.29Å; L286-I290 HydrophobicContact CD1-CD1 4.09Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 HydrophobicContact CD2-CD1 4.12Å; L286-I290 HydrophobicContact CG-CD1 3.76Å; L286-I290 HydrophobicContact CG-CG1 4.2Å; L286-I290 PolarHBondContact O-N 2.87Å; A287-I290 PolarHBondContact O-N 2.81Å; I290-R292 PolarHBondContact O-N 3.43Å; I290-T293 WeakPolarHBondContact O-CB 3.48Å; I290-T293 PolarHBondContact O-N 3.25Å; I290-T293 VanDerWaalsContact O-N 3.1Å; I290-F294 PolarHBondContact O-N 3.44Å; I290-F294 VanDerWaalsContact O-N 3.08Å |
| 291 | V | 86 | Confident | 84.9 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 40% | 0.4 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.2 | -43.2 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | L49 A287 F294 F295 | L49-V291 HydrophobicContact CD1-CG1 3.98Å; A287-V291 VanDerWaalsContact O-CG2 3.3Å; A287-V291 WeakPolarHBondContact O-CG2 3.24Å; A287-V291 PolarHBondContact O-N 2.71Å; V291-F294 PolarHBondContact O-N 3.41Å; V291-F295 HydrophobicContact CG1-CD2 3.6Å; V291-F295 HydrophobicContact CG1-CE2 3.4Å; V291-F295 WeakPolarHBondContact O-CD2 3.33Å; V291-F295 PolarHBondContact O-N 2.88Å; V291-F295 VanDerWaalsContact O-N 3.07Å |
| 292 | R | 84.6 | Confident | 85 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 174.9 | -176.7 | -158.9 | 71.1 | 99 | 13.8 | 112.5 | L49 D50 P288 T289 I290 F294 F295 A296 | L49-R292 HydrophobicContact CB-CB 3.71Å; L49-R292 HydrophobicContact CB-CG 3.88Å; L49-R292 VanDerWaalsContact CD1-CA 3.47Å; L49-R292 HydrophobicContact CD1-CB 3.7Å; L49-R292 HydrophobicContact CD1-CG 4.31Å; L49-R292 HydrophobicContact CG-CB 4.36Å; D50-R292 WeakPolarHBondContact OD1-CD 3.45Å; D50-R292 IonicContact OD1-CZ 2.93Å; D50-R292 IonicContact OD1-NE 3.6Å; D50-R292 PolarHBondContact OD1-NE 2.92Å; D50-R292 IonicContact OD1-NH1 3.96Å; D50-R292 PolarHBondContact OD1-NH1 3.37Å; D50-R292 WeakPolarHBondContact OD2-CD 3.39Å; D50-R292 IonicContact OD2-CZ 3.9Å; D50-R292 IonicContact OD2-NH1 3.99Å; D50-R292 PolarHBondContact OD2-NH1 2.98Å; D50-R292 VanDerWaalsContact OD2-NH1 3.11Å; P288-R292 WeakPolarHBondContact O-CB 3.33Å; P288-R292 PolarHBondContact O-N 3.12Å; T289-R292 WeakPolarHBondContact O-CB 3.46Å; T289-R292 PolarHBondContact O-N 2.95Å; I290-R292 PolarHBondContact O-N 3.43Å; R292-F294 VanDerWaalsContact C-N 3.27Å; R292-F294 PolarHBondContact O-N 3.46Å; R292-F295 PolarHBondContact O-N 3.38Å; R292-A296 VanDerWaalsContact O-CB 3.23Å; R292-A296 WeakPolarHBondContact O-CB 3.37Å; R292-A296 PolarHBondContact O-N 3.23Å |
| 293 | T | 83.8 | Confident | 85.1 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.08 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.4 | -45.4 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | W245 T289 I290 A296 S297 | W245-T293 PolarHBondContact NE1-OG1 3.16Å; T289-T293 PolarHBondContact O-N 3.16Å; T289-T293 PolarHBondContact O-OG1 2.93Å; T289-T293 VanDerWaalsContact O-OG1 3.04Å; I290-T293 WeakPolarHBondContact O-CB 3.48Å; I290-T293 PolarHBondContact O-N 3.25Å; I290-T293 VanDerWaalsContact O-N 3.1Å; T293-A296 PolarHBondContact O-N 2.96Å; T293-S297 WeakPolarHBondContact O-CB 3.46Å; T293-S297 PolarHBondContact O-N 2.97Å; T293-S297 PolarHBondContact O-OG 2.77Å |
| 294 | F | 83.7 | Confident | 85 | Confident | 147 Ų | 147 | 50.6 Ų | 50.6 | 65% | 0.645 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.9 | -50.1 | 176.4 | -177.8 | -95 | 0 | 0 | 0 | 112.7 | I290 V291 R292 S297 A298 | I290-F294 PolarHBondContact O-N 3.44Å; I290-F294 VanDerWaalsContact O-N 3.08Å; V291-F294 PolarHBondContact O-N 3.41Å; R292-F294 VanDerWaalsContact C-N 3.27Å; R292-F294 PolarHBondContact O-N 3.46Å; F294-S297 PolarHBondContact O-N 3.48Å; F294-A298 WeakPolarHBondContact O-CB 3.27Å; F294-A298 PolarHBondContact O-N 3.07Å |
| 295 | F | 85.3 | Confident | 85.2 | Confident | 111 Ų | 111 | 52.2 Ų | 52.2 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | -179.9 | -77.6 | -66 | 0 | 0 | 0 | 113.4 | L49 V291 R292 A298 A299 | L49-F295 HydrophobicContact CD1-CD2 4.17Å; V291-F295 HydrophobicContact CG1-CD2 3.6Å; V291-F295 HydrophobicContact CG1-CE2 3.4Å; V291-F295 WeakPolarHBondContact O-CD2 3.33Å; V291-F295 PolarHBondContact O-N 2.88Å; V291-F295 VanDerWaalsContact O-N 3.07Å; R292-F295 PolarHBondContact O-N 3.38Å; F295-A298 PolarHBondContact O-N 2.96Å; F295-A299 WeakPolarHBondContact O-CB 3.32Å; F295-A299 PolarHBondContact O-N 3.22Å |
| 296 | A | 85.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A42 R292 T293 A299 L300 | A42-A296 WeakPolarHBondContact CA-O 3.32Å; A42-A296 HydrophobicContact CB-CB 4.27Å; A42-A296 WeakPolarHBondContact CB-O 3.31Å; A42-A296 WeakPolarHBondContact O-CB 3.46Å; R292-A296 VanDerWaalsContact O-CB 3.23Å; R292-A296 WeakPolarHBondContact O-CB 3.37Å; R292-A296 PolarHBondContact O-N 3.23Å; T293-A296 PolarHBondContact O-N 2.96Å; A296-A299 PolarHBondContact O-N 2.76Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 PolarHBondContact O-N 3.33Å |
| 297 | S | 82.7 | Confident | 85.8 | Confident | 36 Ų | 36 | 55.2 Ų | 55.2 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.4 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | T293 F294 A299 L300 F301 | T293-S297 WeakPolarHBondContact O-CB 3.46Å; T293-S297 PolarHBondContact O-N 2.97Å; T293-S297 PolarHBondContact O-OG 2.77Å; F294-S297 PolarHBondContact O-N 3.48Å; S297-A299 VanDerWaalsContact C-N 3.34Å; S297-A299 PolarHBondContact O-N 3.06Å; S297-L300 VanDerWaalsContact O-CB 3.32Å; S297-L300 WeakPolarHBondContact O-CB 3.48Å; S297-L300 PolarHBondContact O-N 2.98Å; S297-F301 WeakPolarHBondContact O-CD2 3.45Å; S297-F301 PolarHBondContact O-N 3.36Å |
| 298 | A | 84 | Confident | 86 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F294 F295 L300 F301 L302 | F294-A298 WeakPolarHBondContact O-CB 3.27Å; F294-A298 PolarHBondContact O-N 3.07Å; F295-A298 PolarHBondContact O-N 2.96Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.36Å; A298-F301 PolarHBondContact O-N 2.98Å; A298-L302 WeakPolarHBondContact O-CB 3.28Å; A298-L302 PolarHBondContact O-N 3.13Å |
| 299 | A | 88.5 | Confident | 86.3 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A41 A45 F295 A296 S297 A303 | A41-A299 HydrophobicContact CB-CB 4.28Å; A41-A299 WeakPolarHBondContact CB-O 3.33Å; A45-A299 HydrophobicContact CB-CB 3.37Å; F295-A299 WeakPolarHBondContact O-CB 3.32Å; F295-A299 PolarHBondContact O-N 3.22Å; A296-A299 PolarHBondContact O-N 2.76Å; S297-A299 VanDerWaalsContact C-N 3.34Å; S297-A299 PolarHBondContact O-N 3.06Å; A299-A303 VanDerWaalsContact O-CB 3.28Å; A299-A303 WeakPolarHBondContact O-CB 2.93Å; A299-A303 PolarHBondContact O-N 3.47Å |
| 300 | L | 88.2 | Confident | 86.7 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 29% | 0.293 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.8 | -54.4 | 174.2 | -171.1 | 150.8 | 0 | 0 | 0 | 110.9 | G38 A42 A296 S297 A298 A303 Y304 | G38-L300 WeakPolarHBondContact CA-O 3.41Å; G38-L300 WeakPolarHBondContact O-CA 3.5Å; A42-L300 HydrophobicContact CB-CB 4Å; A42-L300 HydrophobicContact CB-CD1 4.22Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 PolarHBondContact O-N 3.33Å; S297-L300 VanDerWaalsContact O-CB 3.32Å; S297-L300 WeakPolarHBondContact O-CB 3.48Å; S297-L300 PolarHBondContact O-N 2.98Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.36Å; L300-A303 PolarHBondContact O-N 2.93Å; L300-Y304 VanDerWaalsContact O-CB 3.28Å; L300-Y304 WeakPolarHBondContact O-CB 2.97Å; L300-Y304 PolarHBondContact O-N 3.4Å |
| 301 | F | 83.4 | Confident | 86.8 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 28% | 0.276 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | -176 | -73 | -65.3 | 0 | 0 | 0 | 112.4 | C234 S297 A298 A303 Y304 E305 | C234-F301 HydrophobicContact CB-CD2 3.85Å; C234-F301 HydrophobicContact CB-CE1 4.2Å; C234-F301 HydrophobicContact CB-CE2 3.32Å; C234-F301 HydrophobicContact CB-CZ 3.54Å; C234-F301 WeakPolarHBondContact SG-CD1 3.44Å; C234-F301 WeakPolarHBondContact SG-CD2 3.43Å; C234-F301 WeakPolarHBondContact SG-CE1 3.44Å; C234-F301 WeakPolarHBondContact SG-CE2 3.34Å; C234-F301 VanDerWaalsContact SG-CG 3.53Å; C234-F301 WeakPolarHBondContact SG-CZ 3.29Å; S297-F301 WeakPolarHBondContact O-CD2 3.45Å; S297-F301 PolarHBondContact O-N 3.36Å; A298-F301 PolarHBondContact O-N 2.98Å; F301-A303 VanDerWaalsContact C-N 3.3Å; F301-A303 PolarHBondContact O-N 3.22Å; F301-Y304 PolarHBondContact O-N 2.94Å; F301-E305 WeakPolarHBondContact O-CB 3.48Å; F301-E305 WeakPolarHBondContact O-CG 3.3Å; F301-E305 PolarHBondContact O-N 3.28Å |
| 302 | L | 87.3 | Confident | 87 | Confident | 131 Ų | 131 | 68.3 Ų | 68.3 | 69% | 0.686 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.5 | -45.7 | 176.2 | -172.1 | 80.4 | 0 | 0 | 0 | 111.4 | A298 A306 | A298-L302 WeakPolarHBondContact O-CB 3.28Å; A298-L302 PolarHBondContact O-N 3.13Å; L302-A306 WeakPolarHBondContact O-CB 3.25Å; L302-A306 PolarHBondContact O-N 3.43Å |
| 303 | A | 89.4 | Confident | 87.2 | Confident | 21 Ų | 21 | 70.9 Ų | 70.9 | 17% | 0.174 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.5 | -41.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A41 A299 L300 F301 V307 | A41-A303 HydrophobicContact CB-CB 3.47Å; A41-A303 VanDerWaalsContact CB-CB 3.47Å; A299-A303 VanDerWaalsContact O-CB 3.28Å; A299-A303 WeakPolarHBondContact O-CB 2.93Å; A299-A303 PolarHBondContact O-N 3.47Å; L300-A303 PolarHBondContact O-N 2.93Å; F301-A303 VanDerWaalsContact C-N 3.3Å; F301-A303 PolarHBondContact O-N 3.22Å; A303-V307 WeakPolarHBondContact O-CB 3.46Å; A303-V307 VanDerWaalsContact O-CG2 3.26Å; A303-V307 WeakPolarHBondContact O-CG2 3.18Å; A303-V307 PolarHBondContact O-N 3.33Å |
| 304 | Y | 86.8 | Confident | 87.3 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 24% | 0.235 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57 | -56.4 | 175 | 175.6 | -91 | 0 | 0 | 0 | 110.8 | D31 A34 L300 F301 A306 V307 Q308 | D31-Y304 PolarHBondContact OD1-OH 3.4Å; D31-Y304 VanDerWaalsContact OD1-OH 3.14Å; A34-Y304 HydrophobicContact CB-CD2 3.53Å; A34-Y304 HydrophobicContact CB-CE2 3.69Å; A34-Y304 HydrophobicContact CB-CG 4.18Å; L300-Y304 VanDerWaalsContact O-CB 3.28Å; L300-Y304 WeakPolarHBondContact O-CB 2.97Å; L300-Y304 PolarHBondContact O-N 3.4Å; F301-Y304 PolarHBondContact O-N 2.94Å; Y304-A306 PolarHBondContact O-N 3.38Å; Y304-V307 PolarHBondContact O-N 3.34Å; Y304-Q308 WeakPolarHBondContact O-CB 3.44Å; Y304-Q308 PolarHBondContact O-N 2.95Å; Y304-Q308 PolarHBondContact OH-NE2 3.28Å |
| 305 | E | 84.7 | Confident | 87.4 | Confident | 89 Ų | 89 | 70 Ų | 70 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | -177.7 | -71.6 | -175.7 | -170.5 | 0 | 0 | 112.2 | F301 R309 | F301-E305 WeakPolarHBondContact O-CB 3.48Å; F301-E305 WeakPolarHBondContact O-CG 3.3Å; F301-E305 PolarHBondContact O-N 3.28Å; E305-R309 WeakPolarHBondContact O-CB 3.5Å; E305-R309 PolarHBondContact O-N 3.39Å |
| 306 | A | 90 | Very high | 87.3 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 49% | 0.488 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L302 Y304 K310 | L302-A306 WeakPolarHBondContact O-CB 3.25Å; L302-A306 PolarHBondContact O-N 3.43Å; Y304-A306 PolarHBondContact O-N 3.38Å; A306-K310 VanDerWaalsContact O-CB 3.28Å; A306-K310 WeakPolarHBondContact O-CB 3.48Å; A306-K310 PolarHBondContact O-N 2.8Å; A306-K310 VanDerWaalsContact O-N 3.14Å |
| 307 | V | 89.7 | Confident | 87 | Confident | 41 Ų | 41 | 70.7 Ų | 70.7 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.8 | -46.5 | 179.3 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | I33 A34 A37 A303 Y304 R309 K310 L311 | I33-V307 HydrophobicContact CG2-CG1 3.99Å; A34-V307 HydrophobicContact CB-CB 4.29Å; A34-V307 HydrophobicContact CB-CG1 4.15Å; A37-V307 HydrophobicContact CB-CB 4.34Å; A37-V307 HydrophobicContact CB-CG1 4.45Å; A37-V307 HydrophobicContact CB-CG2 3.76Å; A303-V307 WeakPolarHBondContact O-CB 3.46Å; A303-V307 VanDerWaalsContact O-CG2 3.26Å; A303-V307 WeakPolarHBondContact O-CG2 3.18Å; A303-V307 PolarHBondContact O-N 3.33Å; Y304-V307 PolarHBondContact O-N 3.34Å; V307-R309 PolarHBondContact O-N 3.47Å; V307-K310 PolarHBondContact O-N 2.93Å; V307-L311 HydrophobicContact CG1-CD1 3.74Å; V307-L311 HydrophobicContact CG1-CG 4.24Å; V307-L311 WeakPolarHBondContact O-CB 3.36Å; V307-L311 WeakPolarHBondContact O-CG 3.26Å; V307-L311 PolarHBondContact O-N 3.27Å |
| 308 | Q | 88.3 | Confident | 86.7 | Confident | 31 Ų | 31 | 73 Ų | 73 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 177.9 | -170.1 | -170 | 38.3 | 0 | 0 | 110.9 | I30 D31 A34 Y304 K310 L311 R312 | I30-Q308 HydrophobicContact CG2-CB 4.45Å; I30-Q308 HydrophobicContact CG2-CG 3.86Å; D31-Q308 PolarHBondContact OD1-NE2 2.82Å; A34-Q308 HydrophobicContact CB-CB 3.83Å; Y304-Q308 WeakPolarHBondContact O-CB 3.44Å; Y304-Q308 PolarHBondContact O-N 2.95Å; Y304-Q308 PolarHBondContact OH-NE2 3.28Å; Q308-K310 PolarHBondContact O-N 2.84Å; Q308-L311 PolarHBondContact O-N 3.45Å; Q308-R312 WeakPolarHBondContact O-CB 3.4Å; Q308-R312 WeakPolarHBondContact O-CG 3.43Å; Q308-R312 PolarHBondContact O-N 3.33Å |
| 309 | R | 88.7 | Confident | 86.3 | Confident | 168 Ų | 168 | 72.7 Ų | 72.7 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.7 | -45.6 | 178.6 | -174.2 | -179.3 | -62.8 | 170 | 4.3 | 111.5 | E305 V307 R312 V313 | E305-R309 WeakPolarHBondContact O-CB 3.5Å; E305-R309 PolarHBondContact O-N 3.39Å; V307-R309 PolarHBondContact O-N 3.47Å; R309-R312 PolarHBondContact O-N 3.38Å; R309-V313 VanDerWaalsContact O-CG2 3.29Å; R309-V313 WeakPolarHBondContact O-CG2 3.44Å; R309-V313 PolarHBondContact O-N 2.81Å |
| 310 | K | 92.3 | Very high | 85.6 | Confident | 149 Ų | 149 | 77.8 Ų | 77.8 | 65% | 0.648 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | -179.1 | -172.3 | 175.2 | -177.9 | -179 | 0 | 112 | A306 V307 Q308 M314 | A306-K310 VanDerWaalsContact O-CB 3.28Å; A306-K310 WeakPolarHBondContact O-CB 3.48Å; A306-K310 PolarHBondContact O-N 2.8Å; A306-K310 VanDerWaalsContact O-N 3.14Å; V307-K310 PolarHBondContact O-N 2.93Å; Q308-K310 PolarHBondContact O-N 2.84Å; K310-M314 WeakPolarHBondContact O-CB 3.26Å; K310-M314 PolarHBondContact O-N 3.12Å |
| 311 | L | 90.4 | Very high | 84.3 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 19% | 0.188 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 178 | -69.9 | 176.2 | 0 | 0 | 0 | 111.7 | I30 I33 V307 Q308 V313 M314 C315 | I30-L311 HydrophobicContact CB-CB 4.49Å; I30-L311 HydrophobicContact CD1-CB 4.39Å; I30-L311 HydrophobicContact CG1-CB 3.98Å; I30-L311 HydrophobicContact CG2-CB 3.95Å; I30-L311 HydrophobicContact CG2-CD1 4.32Å; I33-L311 HydrophobicContact CB-CD1 3.89Å; I33-L311 HydrophobicContact CD1-CD1 4.18Å; I33-L311 HydrophobicContact CG2-CD1 3.78Å; V307-L311 HydrophobicContact CG1-CD1 3.74Å; V307-L311 HydrophobicContact CG1-CG 4.24Å; V307-L311 WeakPolarHBondContact O-CB 3.36Å; V307-L311 WeakPolarHBondContact O-CG 3.26Å; V307-L311 PolarHBondContact O-N 3.27Å; Q308-L311 PolarHBondContact O-N 3.45Å; L311-V313 PolarHBondContact O-N 3.18Å; L311-M314 WeakPolarHBondContact O-CB 3.43Å; L311-M314 PolarHBondContact O-N 3.39Å; L311-M314 VanDerWaalsContact O-N 3.16Å; L311-C315 VanDerWaalsContact O-CB 3.29Å; L311-C315 WeakPolarHBondContact O-CB 3.41Å; L311-C315 PolarHBondContact O-N 2.69Å; L311-C315 PolarHBondContact O-SG 3.44Å |
| 312 | R | 88.5 | Confident | 83 | Confident | 106 Ų | 106 | 85.7 Ų | 85.7 | 40% | 0.4 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 174.7 | -76.2 | -173.6 | 178.1 | -174.4 | 1.8 | 111.4 | D27 I30 Q308 R309 M314 C315 I316 | D27-R312 IonicContact OD1-NH2 3.21Å; I30-R312 HydrophobicContact CD1-CG 4.01Å; I30-R312 HydrophobicContact CG2-CG 4.18Å; Q308-R312 WeakPolarHBondContact O-CB 3.4Å; Q308-R312 WeakPolarHBondContact O-CG 3.43Å; Q308-R312 PolarHBondContact O-N 3.33Å; R309-R312 PolarHBondContact O-N 3.38Å; R312-M314 VanDerWaalsContact C-N 3.32Å; R312-M314 PolarHBondContact O-N 3.42Å; R312-C315 CarbonylContact O-C 3.58Å; R312-C315 PolarHBondContact O-N 3.01Å; R312-C315 VanDerWaalsContact O-N 3.1Å; R312-I316 WeakPolarHBondContact O-CG1 3.4Å; R312-I316 PolarHBondContact O-N 3.15Å |
| 313 | V | 88.7 | Confident | 81.3 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59 | -43.1 | 176.3 | 172 | 0 | 0 | 0 | 0 | 111.7 | R309 L311 C315 I316 | R309-V313 VanDerWaalsContact O-CG2 3.29Å; R309-V313 WeakPolarHBondContact O-CG2 3.44Å; R309-V313 PolarHBondContact O-N 2.81Å; L311-V313 PolarHBondContact O-N 3.18Å; V313-C315 VanDerWaalsContact C-N 3.26Å; V313-C315 PolarHBondContact O-N 3.14Å; V313-I316 HydrophobicContact CB-CD1 4.46Å; V313-I316 HydrophobicContact CG1-CD1 4.48Å; V313-I316 PolarHBondContact O-N 2.92Å |
| 314 | M | 87.1 | Confident | 80.9 | Confident | 126 Ų | 126 | 88.8 Ų | 88.8 | 62% | 0.621 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.6 | -32 | 177.4 | -175.8 | 178.7 | -68.5 | 0 | 0 | 112.7 | K310 L311 R312 P317 | K310-M314 WeakPolarHBondContact O-CB 3.26Å; K310-M314 PolarHBondContact O-N 3.12Å; L311-M314 WeakPolarHBondContact O-CB 3.43Å; L311-M314 PolarHBondContact O-N 3.39Å; L311-M314 VanDerWaalsContact O-N 3.16Å; R312-M314 VanDerWaalsContact C-N 3.32Å; R312-M314 PolarHBondContact O-N 3.42Å; M314-P317 WeakPolarHBondContact O-CD 3.29Å |
| 315 | C | 85.6 | Confident | 80.6 | Confident | 15 Ų | 15 | 90.3 Ų | 90.3 | 10% | 0.101 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -91.2 | -5.7 | -177.5 | -68.5 | 0 | 0 | 0 | 0 | 114 | L26 I30 L311 R312 V313 P317 L318 Y319 | L26-C315 HydrophobicContact CD1-CB 4.4Å; L26-C315 HydrophobicContact CD2-CB 4.07Å; L26-C315 HydrophobicContact CG-CB 4.47Å; I30-C315 HydrophobicContact CD1-CB 4.25Å; L311-C315 VanDerWaalsContact O-CB 3.29Å; L311-C315 WeakPolarHBondContact O-CB 3.41Å; L311-C315 PolarHBondContact O-N 2.69Å; L311-C315 PolarHBondContact O-SG 3.44Å; R312-C315 CarbonylContact O-C 3.58Å; R312-C315 PolarHBondContact O-N 3.01Å; R312-C315 VanDerWaalsContact O-N 3.1Å; V313-C315 VanDerWaalsContact C-N 3.26Å; V313-C315 PolarHBondContact O-N 3.14Å; C315-P317 VanDerWaalsContact C-N 3.27Å; C315-L318 HydrophobicContact CB-CD1 4.48Å; C315-L318 WeakPolarHBondContact O-CA 3.29Å; C315-L318 VanDerWaalsContact O-CB 3.31Å; C315-L318 WeakPolarHBondContact O-CB 3.01Å; C315-L318 PolarHBondContact O-N 3.5Å; C315-Y319 HydrophobicContact CB-CD2 4.31Å; C315-Y319 HydrophobicContact CB-CE2 4.08Å; C315-Y319 VanDerWaalsContact O-CD2 3.32Å; C315-Y319 WeakPolarHBondContact O-CD2 3.32Å; C315-Y319 PolarHBondContact O-N 3.34Å; C315-Y319 VanDerWaalsContact O-N 3.12Å |
| 316 | I | 82.5 | Confident | 80.4 | Confident | 75 Ų | 75 | 90.4 Ų | 90.4 | 39% | 0.385 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -45.5 | -46.8 | 174.8 | -68.7 | 170.6 | 0 | 0 | 0 | 112.1 | R312 V313 L318 Y319 E320 | R312-I316 WeakPolarHBondContact O-CG1 3.4Å; R312-I316 PolarHBondContact O-N 3.15Å; V313-I316 HydrophobicContact CB-CD1 4.46Å; V313-I316 HydrophobicContact CG1-CD1 4.48Å; V313-I316 PolarHBondContact O-N 2.92Å; I316-L318 PolarHBondContact O-N 2.87Å; I316-L318 VanDerWaalsContact O-N 3.16Å; I316-Y319 WeakPolarHBondContact O-CB 3.23Å; I316-Y319 PolarHBondContact O-N 3.44Å; I316-E320 HydrophobicContact CG2-CG 4.14Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.33Å; I316-E320 WeakPolarHBondContact O-CG 3.22Å; I316-E320 PolarHBondContact O-N 3.42Å |
| 317 | P | 80.9 | Confident | 79.8 | Confident | 62 Ų | 62 | 92.2 Ų | 92.2 | 40% | 0.403 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.6 | -24 | 179.2 | -22.2 | 34.8 | 0 | 0 | 0 | 114.1 | M314 C315 R321 | M314-P317 WeakPolarHBondContact O-CD 3.29Å; C315-P317 VanDerWaalsContact C-N 3.27Å; P317-R321 WeakPolarHBondContact O-CB 3.18Å; P317-R321 VanDerWaalsContact O-CG 3.28Å; P317-R321 WeakPolarHBondContact O-CG 3.19Å; P317-R321 PolarHBondContact O-N 2.83Å |
| 318 | L | 76.5 | Confident | 79.2 | Confident | 84 Ų | 84 | 95.4 Ų | 95.4 | 44% | 0.44 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -78.8 | -36.1 | 174 | -63 | 171.9 | 0 | 0 | 0 | 111.2 | L26 C315 I316 H322 | L26-L318 HydrophobicContact CD2-CB 4.22Å; C315-L318 HydrophobicContact CB-CD1 4.48Å; C315-L318 WeakPolarHBondContact O-CA 3.29Å; C315-L318 VanDerWaalsContact O-CB 3.31Å; C315-L318 WeakPolarHBondContact O-CB 3.01Å; C315-L318 PolarHBondContact O-N 3.5Å; I316-L318 PolarHBondContact O-N 2.87Å; I316-L318 VanDerWaalsContact O-N 3.16Å; L318-H322 PolarHBondContact O-CD2 3.43Å |
| 319 | Y | 74.6 | Confident | 78.6 | Confident | 43 Ų | 43 | 99.7 Ų | 99.7 | 17% | 0.169 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 172.4 | -77.4 | -85 | 0 | 0 | 0 | 111.7 | R23 L26 D27 C315 I316 S323 | R23-Y319 HydrophobicContact CB-CD1 4.39Å; R23-Y319 HydrophobicContact CB-CE1 3.99Å; R23-Y319 HydrophobicContact CG-CD1 3.74Å; R23-Y319 HydrophobicContact CG-CE1 3.86Å; R23-Y319 PolarHBondContact NH2-O 2.96Å; L26-Y319 HydrophobicContact CD2-CD2 3.94Å; L26-Y319 HydrophobicContact CD2-CE1 4.38Å; L26-Y319 HydrophobicContact CD2-CE2 3.44Å; L26-Y319 VanDerWaalsContact CD2-CE2 3.44Å; L26-Y319 HydrophobicContact CG-CE2 4.14Å; D27-Y319 PolarHBondContact OD1-OH 3.46Å; D27-Y319 PolarHBondContact OD2-OH 3.45Å; D27-Y319 VanDerWaalsContact OD2-OH 3.13Å; C315-Y319 HydrophobicContact CB-CD2 4.31Å; C315-Y319 HydrophobicContact CB-CE2 4.08Å; C315-Y319 VanDerWaalsContact O-CD2 3.32Å; C315-Y319 WeakPolarHBondContact O-CD2 3.32Å; C315-Y319 PolarHBondContact O-N 3.34Å; C315-Y319 VanDerWaalsContact O-N 3.12Å; I316-Y319 WeakPolarHBondContact O-CB 3.23Å; I316-Y319 PolarHBondContact O-N 3.44Å; Y319-S323 PolarHBondContact O-N 3.16Å; Y319-S323 PolarHBondContact O-OG 3.13Å |
| 320 | E | 73.5 | Confident | 77.9 | Confident | 127 Ų | 127 | 94.9 Ų | 94.9 | 59% | 0.593 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.9 | -33.2 | -178 | -70.8 | 177.3 | 175.3 | 0 | 0 | 113.4 | I316 H322 S323 | I316-E320 HydrophobicContact CG2-CG 4.14Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.33Å; I316-E320 WeakPolarHBondContact O-CG 3.22Å; I316-E320 PolarHBondContact O-N 3.42Å; E320-H322 PolarHBondContact O-N 3.13Å; E320-S323 WeakPolarHBondContact CA-OG 3.34Å; E320-S323 PolarHBondContact O-OG 3.1Å |
| 321 | R | 60.8 | Low | 76.8 | Confident | 196 Ų | 196 | 90.7 Ų | 90.7 | 74% | 0.74 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.5 | 177.1 | -85.4 | -177.6 | -151.3 | -156.8 | 4.7 | 114.4 | P317 | P317-R321 WeakPolarHBondContact O-CB 3.18Å; P317-R321 VanDerWaalsContact O-CG 3.28Å; P317-R321 WeakPolarHBondContact O-CG 3.19Å; P317-R321 PolarHBondContact O-N 2.83Å |
| 322 | H | 56.8 | Low | 75.7 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 41% | 0.407 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -1.5 | -174.5 | -69.3 | -74.3 | 0 | 0 | 0 | 114.3 | T19 L22 L318 E320 | T19-H322 WeakPolarHBondContact CB-O 3.34Å; T19-H322 HydrophobicContact CG2-CB 3.75Å; T19-H322 WeakPolarHBondContact CG2-O 3.48Å; T19-H322 PolarHBondContact OG1-O 3.33Å; L22-H322 VanDerWaalsContact CD2-CD2 3.48Å; L22-H322 WeakPolarHBondContact CD2-CD2 3.34Å; L318-H322 PolarHBondContact O-CD2 3.43Å; E320-H322 PolarHBondContact O-N 3.13Å |
| 323 | S | 52.5 | Low | 74.5 | Confident | 129 Ų | 129 | 94.3 Ų | 94.3 | 90% | 0.902 | 48% | 0.483 | S | S | * | . | trans | -73.5 | 0 | 162.9 | 30.5 | 0 | 0 | 0 | 0 | 111.6 | Y319 E320 | Y319-S323 PolarHBondContact O-N 3.16Å; Y319-S323 PolarHBondContact O-OG 3.13Å; E320-S323 WeakPolarHBondContact CA-OG 3.34Å; E320-S323 PolarHBondContact O-OG 3.1Å |
Retrieved 323 of 323 residues in 320.5 ms
(Link to these results)