| 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 | 49.2 | Very low | 44 | Very low | 185 Ų | 185 | 110 Ų | 110 | 91% | 0.911 | 60% | 0.596 | S | S | * | * | 0 | -64.8 | 0 | -87.9 | -171.9 | -79 | 0 | 0 | 112.7 | V3 E4 Q5 | M1-V3 PolarHBondContact O-N 3.05Å; M1-E4 PolarHBondContact O-N 3.24Å; M1-Q5 WeakPolarHBondContact O-CB 3.49Å; M1-Q5 PolarHBondContact O-N 3.37Å | |||
| 2 | V | 47.6 | Very low | 44.1 | Very low | 109 Ų | 109 | 106.9 Ų | 106.9 | 66% | 0.661 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.2 | -41.9 | -176 | 179.8 | 0 | 0 | 0 | 0 | 113.5 | E4 Q5 I6 | V2-E4 PolarHBondContact O-N 3.47Å; V2-Q5 PolarHBondContact O-N 3.42Å; V2-I6 HydrophobicContact CG1-CD1 3.73Å; V2-I6 HydrophobicContact CG1-CG1 4.46Å; V2-I6 WeakPolarHBondContact O-CD1 3.2Å; V2-I6 WeakPolarHBondContact O-CG1 3.41Å; V2-I6 PolarHBondContact O-N 3.06Å |
| 3 | V | 45.9 | Very low | 44 | Very low | 114 Ų | 114 | 104.8 Ų | 104.8 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67 | -36.6 | 178.8 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | M1 T7 | M1-V3 PolarHBondContact O-N 3.05Å; V3-T7 PolarHBondContact O-N 3.17Å; V3-T7 VanDerWaalsContact O-N 3.14Å; V3-T7 PolarHBondContact O-OG1 2.93Å; V3-T7 VanDerWaalsContact O-OG1 3.09Å |
| 4 | E | 43.8 | Very low | 43.7 | Very low | 141 Ų | 141 | 105.8 Ų | 105.8 | 66% | 0.659 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.7 | -35.1 | -179.9 | -140.5 | 172.3 | -175.2 | 0 | 0 | 111.4 | M1 V2 T7 V8 | M1-E4 PolarHBondContact O-N 3.24Å; V2-E4 PolarHBondContact O-N 3.47Å; E4-T7 WeakPolarHBondContact CA-OG1 3.43Å; E4-T7 PolarHBondContact O-OG1 2.82Å; E4-V8 WeakPolarHBondContact O-CG2 3.34Å; E4-V8 PolarHBondContact O-N 3.09Å; E4-V8 VanDerWaalsContact O-N 3.17Å |
| 5 | Q | 40 | Very low | 43.8 | Very low | 128 Ų | 128 | 104.8 Ų | 104.8 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72 | -39 | 176.9 | -151.6 | 145.5 | -6.3 | 0 | 0 | 111.6 | M1 V2 T7 V8 D9 | M1-Q5 WeakPolarHBondContact O-CB 3.49Å; M1-Q5 PolarHBondContact O-N 3.37Å; V2-Q5 PolarHBondContact O-N 3.42Å; Q5-T7 PolarHBondContact O-N 3.14Å; Q5-V8 PolarHBondContact O-N 2.96Å; Q5-D9 WeakPolarHBondContact O-CB 3.28Å; Q5-D9 PolarHBondContact O-N 3.48Å |
| 6 | I | 42.2 | Very low | 44 | Very low | 105 Ų | 105 | 102.4 Ų | 102.4 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.1 | -37.3 | 174.6 | -67.4 | 165.7 | 0 | 0 | 0 | 111.7 | V2 A10 | V2-I6 HydrophobicContact CG1-CD1 3.73Å; V2-I6 HydrophobicContact CG1-CG1 4.46Å; V2-I6 WeakPolarHBondContact O-CD1 3.2Å; V2-I6 WeakPolarHBondContact O-CG1 3.41Å; V2-I6 PolarHBondContact O-N 3.06Å; I6-A10 VanDerWaalsContact O-CB 3.28Å; I6-A10 WeakPolarHBondContact O-CB 3.37Å; I6-A10 PolarHBondContact O-N 2.91Å |
| 7 | T | 44.7 | Very low | 43.8 | Very low | 79 Ų | 79 | 102.2 Ų | 102.2 | 49% | 0.485 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.8 | -36.8 | 176.3 | 42.1 | 0 | 0 | 0 | 0 | 113.2 | V3 E4 Q5 Q11 | V3-T7 PolarHBondContact O-N 3.17Å; V3-T7 VanDerWaalsContact O-N 3.14Å; V3-T7 PolarHBondContact O-OG1 2.93Å; V3-T7 VanDerWaalsContact O-OG1 3.09Å; E4-T7 WeakPolarHBondContact CA-OG1 3.43Å; E4-T7 PolarHBondContact O-OG1 2.82Å; Q5-T7 PolarHBondContact O-N 3.14Å; T7-Q11 PolarHBondContact O-N 3.45Å |
| 8 | V | 44.7 | Very low | 44.1 | Very low | 83 Ų | 83 | 99.8 Ų | 99.8 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.9 | -46 | 174.4 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | E4 Q5 A10 Q11 T12 | E4-V8 WeakPolarHBondContact O-CG2 3.34Å; E4-V8 PolarHBondContact O-N 3.09Å; E4-V8 VanDerWaalsContact O-N 3.17Å; Q5-V8 PolarHBondContact O-N 2.96Å; V8-A10 PolarHBondContact O-N 2.85Å; V8-Q11 PolarHBondContact O-N 3.35Å; V8-T12 PolarHBondContact O-N 2.87Å; V8-T12 PolarHBondContact O-OG1 3.07Å |
| 9 | D | 40.6 | Very low | 44.7 | Very low | 99 Ų | 99 | 102.9 Ų | 102.9 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.7 | -41.9 | 179.5 | -75.7 | -24.5 | 0 | 0 | 0 | 111.9 | Q5 T12 S13 | Q5-D9 WeakPolarHBondContact O-CB 3.28Å; Q5-D9 PolarHBondContact O-N 3.48Å; D9-T12 VanDerWaalsContact CA-OG1 3.24Å; D9-T12 WeakPolarHBondContact CA-OG1 3.24Å; D9-T12 PolarHBondContact O-N 3.34Å; D9-T12 PolarHBondContact O-OG1 3.37Å; D9-S13 WeakPolarHBondContact O-CB 3.11Å; D9-S13 PolarHBondContact O-N 3.49Å |
| 10 | A | 41.5 | Very low | 45.8 | Very low | 56 Ų | 56 | 103.6 Ų | 103.6 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.5 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I6 V8 S13 H14 | I6-A10 VanDerWaalsContact O-CB 3.28Å; I6-A10 WeakPolarHBondContact O-CB 3.37Å; I6-A10 PolarHBondContact O-N 2.91Å; V8-A10 PolarHBondContact O-N 2.85Å; A10-S13 PolarHBondContact O-N 2.86Å; A10-H14 VanDerWaalsContact O-CB 3.29Å; A10-H14 WeakPolarHBondContact O-CB 3.29Å; A10-H14 PolarHBondContact O-N 2.99Å |
| 11 | Q | 43.6 | Very low | 47.6 | Very low | 111 Ų | 111 | 104.4 Ų | 104.4 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.4 | -44.7 | 171.6 | -94.3 | -180 | -32.2 | 0 | 0 | 111.2 | T7 V8 S13 H14 Y15 | T7-Q11 PolarHBondContact O-N 3.45Å; V8-Q11 PolarHBondContact O-N 3.35Å; Q11-S13 VanDerWaalsContact C-N 3.3Å; Q11-S13 PolarHBondContact O-N 2.83Å; Q11-H14 PolarHBondContact O-N 3.46Å; Q11-Y15 WeakPolarHBondContact O-CB 3.41Å; Q11-Y15 VanDerWaalsContact O-CD2 3.25Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.09Å; Q11-Y15 PolarHBondContact O-N 3.01Å |
| 12 | T | 45.5 | Very low | 49.4 | Very low | 73 Ų | 73 | 95.9 Ų | 95.9 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 176.2 | 37.6 | 0 | 0 | 0 | 0 | 113 | V8 D9 A16 | V8-T12 PolarHBondContact O-N 2.87Å; V8-T12 PolarHBondContact O-OG1 3.07Å; D9-T12 VanDerWaalsContact CA-OG1 3.24Å; D9-T12 WeakPolarHBondContact CA-OG1 3.24Å; D9-T12 PolarHBondContact O-N 3.34Å; D9-T12 PolarHBondContact O-OG1 3.37Å; T12-A16 WeakPolarHBondContact O-CB 3.36Å; T12-A16 PolarHBondContact O-N 3.29Å |
| 13 | S | 43 | Very low | 51.2 | Low | 80 Ų | 80 | 100.3 Ų | 100.3 | 56% | 0.559 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.2 | -44 | 175.1 | 132.1 | 0 | 0 | 0 | 0 | 112.2 | D9 A10 Q11 Y15 A16 S17 | D9-S13 WeakPolarHBondContact O-CB 3.11Å; D9-S13 PolarHBondContact O-N 3.49Å; A10-S13 PolarHBondContact O-N 2.86Å; Q11-S13 VanDerWaalsContact C-N 3.3Å; Q11-S13 PolarHBondContact O-N 2.83Å; S13-Y15 VanDerWaalsContact C-N 3.3Å; S13-Y15 PolarHBondContact O-N 3.01Å; S13-A16 PolarHBondContact O-N 3.14Å; S13-S17 PolarHBondContact O-N 2.94Å; S13-S17 PolarHBondContact O-OG 3.34Å |
| 14 | H | 40.2 | Very low | 53.2 | Low | 118 Ų | 118 | 103.8 Ų | 103.8 | 55% | 0.546 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.8 | -25.8 | 177.9 | -165.5 | -67 | 0 | 0 | 0 | 112.7 | A10 Q11 S17 M18 | A10-H14 VanDerWaalsContact O-CB 3.29Å; A10-H14 WeakPolarHBondContact O-CB 3.29Å; A10-H14 PolarHBondContact O-N 2.99Å; Q11-H14 PolarHBondContact O-N 3.46Å; H14-S17 PolarHBondContact O-OG 3.06Å; H14-S17 VanDerWaalsContact O-OG 3.08Å; H14-M18 VanDerWaalsContact CE1-CE 3.42Å; H14-M18 WeakPolarHBondContact CE1-CE 3.37Å; H14-M18 WeakPolarHBondContact ND1-CE 3.36Å |
| 15 | Y | 44.4 | Very low | 55.6 | Low | 91 Ų | 91 | 101 Ų | 101 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -85.7 | -31.1 | 170.9 | -84.3 | -80.2 | 0 | 0 | 0 | 112.9 | Q11 S13 M18 R19 F227 | Q11-Y15 WeakPolarHBondContact O-CB 3.41Å; Q11-Y15 VanDerWaalsContact O-CD2 3.25Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.09Å; Q11-Y15 PolarHBondContact O-N 3.01Å; S13-Y15 VanDerWaalsContact C-N 3.3Å; S13-Y15 PolarHBondContact O-N 3.01Å; Y15-M18 CarbonylContact O-C 3.47Å; Y15-M18 PolarHBondContact O-N 3.19Å; Y15-M18 VanDerWaalsContact O-N 3.1Å; Y15-R19 PolarHBondContact O-N 3.41Å; Y15-F227 AromaticContact CD1-CD2 3.49Å; Y15-F227 HydrophobicContact CD1-CD2 3.49Å; Y15-F227 VanDerWaalsContact CD1-CD2 3.49Å; Y15-F227 HydrophobicContact CD1-CE2 4.02Å; Y15-F227 HydrophobicContact CD1-CG 4.34Å; Y15-F227 HydrophobicContact CD2-CD2 4.18Å; Y15-F227 HydrophobicContact CD2-CE2 4.04Å; Y15-F227 AromaticContact CE1-CD2 3.74Å; Y15-F227 HydrophobicContact CE1-CD2 3.74Å; Y15-F227 HydrophobicContact CE2-CD2 4.42Å; Y15-F227 AromaticContact CG-CD2 3.73Å; Y15-F227 HydrophobicContact CG-CD2 3.73Å; Y15-F227 AromaticContact CG-CE2 3.75Å; Y15-F227 HydrophobicContact CG-CE2 3.75Å |
| 16 | A | 46.4 | Very low | 58.2 | Low | 67 Ų | 67 | 98 Ų | 98 | 55% | 0.554 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T12 S13 M18 R19 | T12-A16 WeakPolarHBondContact O-CB 3.36Å; T12-A16 PolarHBondContact O-N 3.29Å; S13-A16 PolarHBondContact O-N 3.14Å; A16-M18 PolarHBondContact O-N 3.34Å; A16-R19 PolarHBondContact O-N 3.49Å |
| 17 | S | 41.9 | Very low | 60.7 | Low | 99 Ų | 99 | 93 Ų | 93 | 69% | 0.692 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.1 | 172.6 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | S13 H14 | S13-S17 PolarHBondContact O-N 2.94Å; S13-S17 PolarHBondContact O-OG 3.34Å; H14-S17 PolarHBondContact O-OG 3.06Å; H14-S17 VanDerWaalsContact O-OG 3.08Å |
| 18 | M | 47.9 | Very low | 63.1 | Low | 58 Ų | 58 | 91.6 Ų | 91.6 | 29% | 0.286 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 6.5 | -177.9 | -133.7 | -170.5 | -61.6 | 0 | 0 | 114.6 | H14 Y15 A16 R20 | H14-M18 VanDerWaalsContact CE1-CE 3.42Å; H14-M18 WeakPolarHBondContact CE1-CE 3.37Å; H14-M18 WeakPolarHBondContact ND1-CE 3.36Å; Y15-M18 CarbonylContact O-C 3.47Å; Y15-M18 PolarHBondContact O-N 3.19Å; Y15-M18 VanDerWaalsContact O-N 3.1Å; A16-M18 PolarHBondContact O-N 3.34Å; M18-R20 PolarHBondContact O-N 3.13Å |
| 19 | R | 56.2 | Low | 65.6 | Low | 160 Ų | 160 | 92.4 Ų | 92.4 | 60% | 0.604 | 47% | 0.471 | S | S | * | . | trans | -67.9 | 77.9 | 165 | -93 | -172.3 | -174.7 | 172.1 | 7 | 108.8 | Y15 A16 | Y15-R19 PolarHBondContact O-N 3.41Å; A16-R19 PolarHBondContact O-N 3.49Å | ||
| 20 | R | 67 | Low | 68.3 | Low | 115 Ų | 115 | 88.1 Ų | 88.1 | 43% | 0.434 | 45% | 0.448 | S | S | . | . | trans | -53.3 | 145.2 | 175 | -63.2 | -177.9 | -155.4 | -154 | 2.4 | 108.4 | M18 Y220 | M18-R20 PolarHBondContact O-N 3.13Å; R20-Y220 HydrophobicContact CB-CD2 4.27Å; R20-Y220 WeakPolarHBondContact O-CD2 3.5Å; R20-Y220 WeakPolarHBondContact O-CE2 3.44Å | ||
| 21 | V | 82.7 | Confident | 70.9 | Confident | 122 Ų | 122 | 85.5 Ų | 85.5 | 74% | 0.739 | 43% | 0.426 | S | S | * | . | trans | -70.5 | 140.7 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 109 | R23 | V21-R23 VanDerWaalsContact C-N 3.3Å; V21-R23 PolarHBondContact O-N 3.13Å | ||
| 22 | D | 87.1 | Confident | 73.5 | Confident | 6 Ų | 6 | 82.2 Ų | 82.2 | 3% | 0.032 | 41% | 0.412 | C | S | . | . | trans | -67.7 | 87.6 | 169.8 | -175.3 | 14.6 | 0 | 0 | 0 | 109.7 | F24 N25 V26 V27 Y28 Y161 Y220 | D22-F24 PolarHBondContact O-N 3.04Å; D22-N25 PolarHBondContact O-N 2.87Å; D22-N25 VanDerWaalsContact O-N 3.08Å; D22-V26 PolarHBondContact OD1-N 3.48Å; D22-V27 PolarHBondContact OD1-N 3.04Å; D22-V27 PolarHBondContact OD2-N 3.24Å; D22-Y28 PolarHBondContact OD2-N 3.22Å; D22-Y161 WeakPolarHBondContact CB-OH 3.45Å; D22-Y161 VanDerWaalsContact CG-OH 3.29Å; D22-Y161 WeakPolarHBondContact OD2-CE1 3.18Å; D22-Y161 PolarHBondContact OD2-OH 3.39Å; D22-Y220 HydrophobicContact CB-CD1 3.73Å; D22-Y220 HydrophobicContact CB-CE1 3.66Å; D22-Y220 HydrophobicContact CB-CG 4.3Å | ||
| 23 | R | 85.3 | Confident | 76 | Confident | 201 Ų | 201 | 80.9 Ų | 80.9 | 76% | 0.758 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -59.9 | 128.3 | -177 | -67.9 | -169.9 | -178.7 | -172.9 | -1.6 | 109.8 | V21 N25 | V21-R23 VanDerWaalsContact C-N 3.3Å; V21-R23 PolarHBondContact O-N 3.13Å; R23-N25 PolarHBondContact O-N 3.05Å |
| 24 | F | 89.3 | Confident | 78.6 | Confident | 187 Ų | 187 | 77 Ų | 77 | 82% | 0.82 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | 59.3 | 18.5 | -177.1 | -48.3 | -74.8 | 0 | 0 | 0 | 114.9 | D22 V26 | D22-F24 PolarHBondContact O-N 3.04Å; F24-V26 HydrophobicContact CB-CG2 4.17Å; F24-V26 PolarHBondContact O-N 2.93Å; F24-V26 VanDerWaalsContact O-N 3.13Å |
| 25 | N | 92.9 | Very high | 81.4 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | 55 | 29.1 | -179.5 | -66.9 | -46 | 0 | 0 | 0 | 113.7 | D22 R23 V27 Y28 L29 | D22-N25 PolarHBondContact O-N 2.87Å; D22-N25 VanDerWaalsContact O-N 3.08Å; R23-N25 PolarHBondContact O-N 3.05Å; N25-V27 VanDerWaalsContact C-N 3.31Å; N25-V27 PolarHBondContact O-N 2.79Å; N25-Y28 WeakPolarHBondContact O-CB 3.32Å; N25-Y28 PolarHBondContact O-N 3.32Å; N25-Y28 VanDerWaalsContact O-N 3.07Å; N25-L29 WeakPolarHBondContact O-CG 3.02Å; N25-L29 PolarHBondContact O-N 3.42Å |
| 26 | V | 94.3 | Very high | 84 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | -176.4 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | D22 F24 Y28 L29 F30 L215 | D22-V26 PolarHBondContact OD1-N 3.48Å; F24-V26 HydrophobicContact CB-CG2 4.17Å; F24-V26 PolarHBondContact O-N 2.93Å; F24-V26 VanDerWaalsContact O-N 3.13Å; V26-Y28 VanDerWaalsContact C-N 3.3Å; V26-Y28 PolarHBondContact O-N 3.26Å; V26-L29 PolarHBondContact O-N 3.27Å; V26-F30 WeakPolarHBondContact O-CB 3.44Å; V26-F30 PolarHBondContact O-N 3.19Å; V26-L215 HydrophobicContact CG1-CD1 4.45Å |
| 27 | V | 95.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 111 | D22 N25 F30 F31 F157 Y161 L215 Y220 F221 | D22-V27 PolarHBondContact OD1-N 3.04Å; D22-V27 PolarHBondContact OD2-N 3.24Å; N25-V27 VanDerWaalsContact C-N 3.31Å; N25-V27 PolarHBondContact O-N 2.79Å; V27-F30 WeakPolarHBondContact O-CB 3.04Å; V27-F30 PolarHBondContact O-N 3.21Å; V27-F31 HydrophobicContact CG1-CD2 3.82Å; V27-F31 HydrophobicContact CG1-CE2 3.57Å; V27-F31 WeakPolarHBondContact O-CD2 3.25Å; V27-F31 PolarHBondContact O-N 2.91Å; V27-F31 VanDerWaalsContact O-N 3.07Å; V27-F157 HydrophobicContact CG1-CD1 4.24Å; V27-F157 HydrophobicContact CG1-CE1 4.03Å; V27-F157 HydrophobicContact CG1-CZ 4.42Å; V27-Y161 HydrophobicContact CB-CE1 3.97Å; V27-Y161 HydrophobicContact CG1-CD1 4.12Å; V27-Y161 HydrophobicContact CG1-CE1 3.78Å; V27-L215 HydrophobicContact CG2-CD1 4.06Å; V27-Y220 HydrophobicContact CB-CD1 3.99Å; V27-Y220 HydrophobicContact CB-CE1 4.22Å; V27-Y220 HydrophobicContact CG1-CD1 4.43Å; V27-Y220 HydrophobicContact CG1-CE1 4.37Å; V27-Y220 HydrophobicContact CG2-CD1 3.62Å; V27-Y220 HydrophobicContact CG2-CE1 4.32Å; V27-F221 HydrophobicContact CG1-CD2 4.34Å; V27-F221 HydrophobicContact CG2-CB 3.99Å |
| 28 | Y | 96.1 | Very high | 89 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -46.9 | 176.4 | 178.4 | -86.2 | 0 | 0 | 0 | 111.1 | D22 N25 V26 F30 F31 L32 K160 Y161 A164 I167 | D22-Y28 PolarHBondContact OD2-N 3.22Å; N25-Y28 WeakPolarHBondContact O-CB 3.32Å; N25-Y28 PolarHBondContact O-N 3.32Å; N25-Y28 VanDerWaalsContact O-N 3.07Å; V26-Y28 VanDerWaalsContact C-N 3.3Å; V26-Y28 PolarHBondContact O-N 3.26Å; Y28-F30 VanDerWaalsContact C-N 3.25Å; Y28-F30 PolarHBondContact O-N 3.04Å; Y28-F31 PolarHBondContact O-N 3.41Å; Y28-L32 HydrophobicContact CE1-CD1 4.06Å; Y28-L32 PolarHBondContact O-N 3.41Å; Y28-K160 HydrophobicContact CD2-CG 4.48Å; Y28-K160 WeakPolarHBondContact CE2-O 3.31Å; Y28-Y161 HydrophobicContact CD2-CD1 4.41Å; Y28-A164 HydrophobicContact CD2-CB 3.76Å; Y28-A164 HydrophobicContact CE1-CB 4.36Å; Y28-A164 HydrophobicContact CE2-CB 3.53Å; Y28-A164 HydrophobicContact CG-CB 4.29Å; Y28-I167 WeakPolarHBondContact OH-CD1 3.36Å |
| 29 | L | 96.8 | Very high | 91.3 | Very high | 101 Ų | 101 | 59.3 Ų | 59.3 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -34.4 | 175.7 | -68.8 | 175.7 | 0 | 0 | 0 | 111.9 | N25 V26 L32 L33 | N25-L29 WeakPolarHBondContact O-CG 3.02Å; N25-L29 PolarHBondContact O-N 3.42Å; V26-L29 PolarHBondContact O-N 3.27Å; L29-L32 PolarHBondContact O-N 3.08Å; L29-L33 VanDerWaalsContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 PolarHBondContact O-N 3.29Å |
| 30 | F | 96.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -52.7 | 170.8 | 167.8 | -90.9 | 0 | 0 | 0 | 111.7 | V26 V27 Y28 L32 L33 H34 M99 L153 F212 L215 | V26-F30 WeakPolarHBondContact O-CB 3.44Å; V26-F30 PolarHBondContact O-N 3.19Å; V27-F30 WeakPolarHBondContact O-CB 3.04Å; V27-F30 PolarHBondContact O-N 3.21Å; Y28-F30 VanDerWaalsContact C-N 3.25Å; Y28-F30 PolarHBondContact O-N 3.04Å; F30-L32 VanDerWaalsContact C-N 3.27Å; F30-L32 PolarHBondContact O-N 2.64Å; F30-L33 PolarHBondContact O-N 3.1Å; F30-H34 AromaticContact CD2-CD2 3.53Å; F30-H34 AromaticContact CD2-NE2 3.52Å; F30-H34 AromaticContact CE2-CD2 3.35Å; F30-H34 WeakPolarHBondContact CE2-CD2 3.42Å; F30-H34 AromaticContact CE2-CE1 3.6Å; F30-H34 AromaticContact CE2-NE2 3.01Å; F30-H34 WeakPolarHBondContact CE2-NE2 3.48Å; F30-H34 AromaticContact CZ-CD2 3.7Å; F30-H34 AromaticContact CZ-CE1 3.78Å; F30-H34 AromaticContact CZ-CG 3.95Å; F30-H34 AromaticContact CZ-NE2 3.58Å; F30-H34 WeakPolarHBondContact O-CB 3.43Å; F30-H34 PolarHBondContact O-CD2 3.36Å; F30-H34 PolarHBondContact O-N 3.17Å; F30-M99 HydrophobicContact CE2-CE 4.49Å; F30-M99 HydrophobicContact CZ-CE 3.73Å; F30-L153 HydrophobicContact CE1-CD2 4.44Å; F30-F212 HydrophobicContact CE2-CB 4.18Å; F30-F212 HydrophobicContact CZ-CD2 4.41Å; F30-L215 HydrophobicContact CB-CD1 4.01Å; F30-L215 HydrophobicContact CB-CD2 4.24Å; F30-L215 HydrophobicContact CD1-CD2 3.43Å; F30-L215 VanDerWaalsContact CD1-CD2 3.43Å; F30-L215 HydrophobicContact CD2-CB 4.16Å; F30-L215 HydrophobicContact CD2-CD1 4.24Å; F30-L215 HydrophobicContact CD2-CD2 3.67Å; F30-L215 HydrophobicContact CD2-CG 4.24Å; F30-L215 HydrophobicContact CE1-CD2 3.55Å; F30-L215 HydrophobicContact CE2-CB 4.19Å; F30-L215 HydrophobicContact CE2-CD2 3.76Å; F30-L215 HydrophobicContact CG-CD1 4.09Å; F30-L215 HydrophobicContact CG-CD2 3.49Å; F30-L215 VanDerWaalsContact CG-CD2 3.49Å; F30-L215 HydrophobicContact CG-CG 4.28Å; F30-L215 HydrophobicContact CZ-CD2 3.71Å |
| 31 | F | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | -179.9 | -79 | -69 | 0 | 0 | 0 | 112.4 | V27 Y28 H34 G35 V150 L153 A154 F157 Y161 A164 V165 | V27-F31 HydrophobicContact CG1-CD2 3.82Å; V27-F31 HydrophobicContact CG1-CE2 3.57Å; V27-F31 WeakPolarHBondContact O-CD2 3.25Å; V27-F31 PolarHBondContact O-N 2.91Å; V27-F31 VanDerWaalsContact O-N 3.07Å; Y28-F31 PolarHBondContact O-N 3.41Å; F31-H34 PolarHBondContact O-N 3.27Å; F31-G35 PolarHBondContact O-N 3.35Å; F31-V150 HydrophobicContact CD1-CG1 4.39Å; F31-L153 HydrophobicContact CE1-CB 4.28Å; F31-L153 HydrophobicContact CE1-CD2 4.24Å; F31-L153 HydrophobicContact CE1-CG 4.05Å; F31-L153 HydrophobicContact CZ-CD2 4.36Å; F31-L153 HydrophobicContact CZ-CG 3.98Å; F31-A154 HydrophobicContact CD1-CB 3.8Å; F31-A154 VanDerWaalsContact CE1-CA 3.44Å; F31-A154 HydrophobicContact CE1-CB 3.6Å; F31-A154 HydrophobicContact CZ-CB 4.16Å; F31-F157 AromaticContact CE2-CD2 3.66Å; F31-F157 HydrophobicContact CE2-CD2 3.66Å; F31-F157 AromaticContact CE2-CE2 3.95Å; F31-F157 HydrophobicContact CE2-CE2 3.95Å; F31-F157 HydrophobicContact CE2-CG 4.06Å; F31-F157 AromaticContact CZ-CD2 3.61Å; F31-F157 HydrophobicContact CZ-CD2 3.61Å; F31-F157 AromaticContact CZ-CE2 3.79Å; F31-F157 HydrophobicContact CZ-CE2 3.79Å; F31-F157 HydrophobicContact CZ-CG 4.44Å; F31-Y161 AromaticContact CD2-CD1 3.59Å; F31-Y161 HydrophobicContact CD2-CD1 3.59Å; F31-Y161 HydrophobicContact CD2-CG 4.14Å; F31-Y161 HydrophobicContact CE2-CD1 4.06Å; F31-Y161 HydrophobicContact CE2-CG 4.38Å; F31-A164 HydrophobicContact CB-CB 3.91Å; F31-V165 HydrophobicContact CB-CG2 3.91Å; F31-V165 HydrophobicContact CD1-CG2 3.76Å; F31-V165 HydrophobicContact CG-CG2 4.24Å; F31-V165 WeakPolarHBondContact O-CA 3.4Å |
| 32 | L | 97.8 | Very high | 95.3 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 22% | 0.22 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -50.3 | 172.9 | -170.5 | 154.8 | 0 | 0 | 0 | 111.6 | Y28 L29 F30 H34 G35 V36 A164 I167 G168 | Y28-L32 HydrophobicContact CE1-CD1 4.06Å; Y28-L32 PolarHBondContact O-N 3.41Å; L29-L32 PolarHBondContact O-N 3.08Å; F30-L32 VanDerWaalsContact C-N 3.27Å; F30-L32 PolarHBondContact O-N 2.64Å; L32-H34 VanDerWaalsContact C-N 3.27Å; L32-H34 PolarHBondContact O-N 2.77Å; L32-G35 WeakPolarHBondContact O-CA 3.49Å; L32-G35 PolarHBondContact O-N 3.43Å; L32-G35 VanDerWaalsContact O-N 3.12Å; L32-V36 HydrophobicContact CD2-CG2 4.4Å; L32-V36 PolarHBondContact O-N 3.26Å; L32-A164 WeakPolarHBondContact CA-O 3.39Å; L32-A164 HydrophobicContact CB-CB 4.37Å; L32-I167 HydrophobicContact CD1-CG2 4.06Å; L32-G168 VanDerWaalsContact O-CA 3.27Å; L32-G168 WeakPolarHBondContact O-CA 3.3Å |
| 33 | L | 98.2 | Very high | 95.7 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.6 | -41.7 | 176.5 | 172.9 | 65 | 0 | 0 | 0 | 111.6 | L29 F30 G35 V36 G37 T207 S211 | L29-L33 VanDerWaalsContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 PolarHBondContact O-N 3.29Å; F30-L33 PolarHBondContact O-N 3.1Å; L33-G35 VanDerWaalsContact C-N 3.34Å; L33-V36 WeakPolarHBondContact O-CA 3.21Å; L33-V36 WeakPolarHBondContact O-CB 3.44Å; L33-V36 PolarHBondContact O-N 3.48Å; L33-V36 VanDerWaalsContact O-N 3.12Å; L33-G37 PolarHBondContact O-N 2.83Å; L33-T207 HydrophobicContact CD1-CG2 4.31Å; L33-T207 HydrophobicContact CD2-CG2 3.97Å; L33-S211 WeakPolarHBondContact CD2-OG 3.44Å |
| 34 | H | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.2 | -32.5 | 178.8 | -79.8 | -103.8 | 0 | 0 | 0 | 112.1 | F30 F31 L32 V36 G37 T38 M99 Y146 V150 C208 S211 | F30-H34 AromaticContact CD2-CD2 3.53Å; F30-H34 AromaticContact CD2-NE2 3.52Å; F30-H34 AromaticContact CE2-CD2 3.35Å; F30-H34 WeakPolarHBondContact CE2-CD2 3.42Å; F30-H34 AromaticContact CE2-CE1 3.6Å; F30-H34 AromaticContact CE2-NE2 3.01Å; F30-H34 WeakPolarHBondContact CE2-NE2 3.48Å; F30-H34 AromaticContact CZ-CD2 3.7Å; F30-H34 AromaticContact CZ-CE1 3.78Å; F30-H34 AromaticContact CZ-CG 3.95Å; F30-H34 AromaticContact CZ-NE2 3.58Å; F30-H34 WeakPolarHBondContact O-CB 3.43Å; F30-H34 PolarHBondContact O-CD2 3.36Å; F30-H34 PolarHBondContact O-N 3.17Å; F31-H34 PolarHBondContact O-N 3.27Å; L32-H34 VanDerWaalsContact C-N 3.27Å; L32-H34 PolarHBondContact O-N 2.77Å; H34-V36 VanDerWaalsContact C-N 3.32Å; H34-V36 PolarHBondContact O-N 3.4Å; H34-G37 PolarHBondContact O-N 2.86Å; H34-T38 VanDerWaalsContact O-CG2 3.31Å; H34-T38 WeakPolarHBondContact O-CG2 3.48Å; H34-T38 PolarHBondContact O-N 3.27Å; H34-M99 WeakPolarHBondContact CE1-CE 3.41Å; H34-M99 WeakPolarHBondContact ND1-CE 3.23Å; H34-Y146 WeakPolarHBondContact CA-OH 3.36Å; H34-Y146 WeakPolarHBondContact CB-OH 3.39Å; H34-Y146 VanDerWaalsContact CG-OH 3.3Å; H34-Y146 AromaticContact ND1-CE2 3.56Å; H34-Y146 AromaticContact ND1-CZ 3.57Å; H34-Y146 PolarHBondContact ND1-OH 3.46Å; H34-Y146 PolarHBondContact O-OH 2.81Å; H34-V150 HydrophobicContact CB-CG1 4.08Å; H34-V150 HydrophobicContact CB-CG2 4.21Å; H34-C208 PolarHBondContact CE1-O 3.39Å; H34-C208 PolarHBondContact NE2-O 3.3Å; H34-C208 VanDerWaalsContact NE2-O 3.16Å; H34-S211 PolarHBondContact NE2-OG 3.31Å |
| 35 | G | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.1 | -47.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F31 L32 L33 T38 V165 S169 | F31-G35 PolarHBondContact O-N 3.35Å; L32-G35 WeakPolarHBondContact O-CA 3.49Å; L32-G35 PolarHBondContact O-N 3.43Å; L32-G35 VanDerWaalsContact O-N 3.12Å; L33-G35 VanDerWaalsContact C-N 3.34Å; G35-T38 PolarHBondContact O-N 2.98Å; G35-T38 PolarHBondContact O-OG1 3.26Å; G35-V165 VanDerWaalsContact CA-O 3.25Å; G35-V165 WeakPolarHBondContact CA-O 3.37Å; G35-S169 VanDerWaalsContact C-N 3.33Å; G35-S169 WeakPolarHBondContact O-CA 3.49Å; G35-S169 PolarHBondContact O-N 2.98Å; G35-S169 PolarHBondContact O-OG 3.39Å |
| 36 | V | 98.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 7% | 0.073 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | L32 L33 H34 T38 L39 L40 G168 V171 I175 T204 | L32-V36 HydrophobicContact CD2-CG2 4.4Å; L32-V36 PolarHBondContact O-N 3.26Å; L33-V36 WeakPolarHBondContact O-CA 3.21Å; L33-V36 WeakPolarHBondContact O-CB 3.44Å; L33-V36 PolarHBondContact O-N 3.48Å; L33-V36 VanDerWaalsContact O-N 3.12Å; H34-V36 VanDerWaalsContact C-N 3.32Å; H34-V36 PolarHBondContact O-N 3.4Å; V36-T38 VanDerWaalsContact C-N 3.25Å; V36-T38 PolarHBondContact O-N 3.25Å; V36-L39 PolarHBondContact O-N 3.09Å; V36-L40 HydrophobicContact CG1-CB 3.88Å; V36-L40 HydrophobicContact CG1-CD2 3.68Å; V36-L40 HydrophobicContact CG1-CG 4.39Å; V36-L40 VanDerWaalsContact O-CB 3.24Å; V36-L40 WeakPolarHBondContact O-CB 3Å; V36-L40 PolarHBondContact O-N 2.95Å; V36-G168 WeakPolarHBondContact CA-O 3.48Å; V36-G168 VanDerWaalsContact CG2-O 3.26Å; V36-G168 WeakPolarHBondContact CG2-O 3.35Å; V36-G168 VanDerWaalsContact N-C 3.33Å; V36-G168 PolarHBondContact N-O 3.4Å; V36-V171 HydrophobicContact CG2-CB 4.45Å; V36-V171 HydrophobicContact CG2-CG1 4.25Å; V36-I175 HydrophobicContact CG1-CD1 4.37Å; V36-T204 HydrophobicContact CG1-CG2 4.1Å |
| 37 | G | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.4 | -27.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L33 H34 P41 | L33-G37 PolarHBondContact O-N 2.83Å; H34-G37 PolarHBondContact O-N 2.86Å; G37-P41 WeakPolarHBondContact O-CD 3.41Å |
| 38 | T | 96.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.4 | -27 | 178.1 | 58 | 0 | 0 | 0 | 0 | 114 | H34 G35 V36 T143 Y146 Q147 S169 | H34-T38 VanDerWaalsContact O-CG2 3.31Å; H34-T38 WeakPolarHBondContact O-CG2 3.48Å; H34-T38 PolarHBondContact O-N 3.27Å; G35-T38 PolarHBondContact O-N 2.98Å; G35-T38 PolarHBondContact O-OG1 3.26Å; V36-T38 VanDerWaalsContact C-N 3.25Å; V36-T38 PolarHBondContact O-N 3.25Å; T38-T143 VanDerWaalsContact O-CG2 3.3Å; T38-T143 WeakPolarHBondContact O-CG2 3.22Å; T38-Y146 HydrophobicContact CG2-CD1 3.78Å; T38-Y146 HydrophobicContact CG2-CE1 3.55Å; T38-Y146 HydrophobicContact CG2-CG 4.45Å; T38-Q147 HydrophobicContact CG2-CB 4.09Å; T38-Q147 HydrophobicContact CG2-CG 4.3Å; T38-S169 PolarHBondContact OG1-OG 2.96Å |
| 39 | L | 95.6 | Very high | 96 | Very high | 47 Ų | 47 | 25.5 Ų | 25.5 | 25% | 0.246 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -124.4 | -30.4 | -171.9 | -75.9 | -179.4 | 0 | 0 | 0 | 114.4 | V36 W42 N43 S172 | V36-L39 PolarHBondContact O-N 3.09Å; L39-W42 PolarHBondContact O-N 3.36Å; L39-W42 VanDerWaalsContact O-N 3.12Å; L39-N43 VanDerWaalsContact O-CG 3.3Å; L39-N43 PolarHBondContact O-N 3.06Å; L39-S172 VanDerWaalsContact CB-OG 3.24Å; L39-S172 WeakPolarHBondContact CB-OG 3.24Å |
| 40 | L | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.1 | -45.5 | -176.9 | -171.6 | 57.2 | 0 | 0 | 0 | 112.8 | V36 W42 N43 L44 S172 I175 T176 T204 | V36-L40 HydrophobicContact CG1-CB 3.88Å; V36-L40 HydrophobicContact CG1-CD2 3.68Å; V36-L40 HydrophobicContact CG1-CG 4.39Å; V36-L40 VanDerWaalsContact O-CB 3.24Å; V36-L40 WeakPolarHBondContact O-CB 3Å; V36-L40 PolarHBondContact O-N 2.95Å; L40-W42 VanDerWaalsContact C-N 3.3Å; L40-W42 PolarHBondContact O-N 3.43Å; L40-N43 PolarHBondContact O-N 3.17Å; L40-L44 HydrophobicContact CD1-CD1 3.9Å; L40-L44 HydrophobicContact CD1-CD2 4.38Å; L40-L44 HydrophobicContact CD1-CG 3.9Å; L40-L44 HydrophobicContact CG-CD1 3.84Å; L40-L44 HydrophobicContact CG-CG 4.26Å; L40-L44 WeakPolarHBondContact O-CB 3.29Å; L40-L44 VanDerWaalsContact O-CG 3.29Å; L40-L44 WeakPolarHBondContact O-CG 3.18Å; L40-L44 PolarHBondContact O-N 3.38Å; L40-S172 WeakPolarHBondContact CD1-O 3.46Å; L40-I175 HydrophobicContact CD1-CB 4.18Å; L40-I175 HydrophobicContact CD1-CG2 3.94Å; L40-I175 HydrophobicContact CD2-CD1 4.44Å; L40-I175 HydrophobicContact CD2-CG2 4.32Å; L40-T176 VanDerWaalsContact CD1-OG1 3.3Å; L40-T176 WeakPolarHBondContact CD1-OG1 3.46Å; L40-T204 HydrophobicContact CB-CG2 4.38Å; L40-T204 HydrophobicContact CD2-CG2 4.03Å; L40-T204 WeakPolarHBondContact CD2-OG1 3.3Å |
| 41 | P | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 178.8 | -23.9 | 35.9 | 0 | 0 | 0 | 113 | G37 F45 M106 F110 A201 I205 | G37-P41 WeakPolarHBondContact O-CD 3.41Å; P41-F45 WeakPolarHBondContact O-CB 3.49Å; P41-F45 PolarHBondContact O-N 2.78Å; P41-M106 HydrophobicContact CG-CE 4.37Å; P41-F110 HydrophobicContact CB-CD2 4.36Å; P41-F110 HydrophobicContact CB-CE1 4.24Å; P41-F110 HydrophobicContact CB-CE2 3.48Å; P41-F110 VanDerWaalsContact CB-CE2 3.48Å; P41-F110 HydrophobicContact CB-CZ 3.43Å; P41-F110 VanDerWaalsContact CB-CZ 3.43Å; P41-F110 WeakPolarHBondContact O-CZ 3.3Å; P41-A201 HydrophobicContact CB-CB 3.97Å; P41-I205 HydrophobicContact CB-CD1 3.97Å; P41-I205 HydrophobicContact CB-CG1 4.42Å; P41-I205 HydrophobicContact CG-CD1 3.76Å; P41-I205 HydrophobicContact CG-CG1 3.65Å |
| 42 | W | 95.7 | Very high | 95.7 | Very high | 50 Ų | 50 | 22.1 Ų | 22.1 | 19% | 0.189 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.9 | -45.2 | 178 | 175.3 | -118 | 0 | 0 | 0 | 112.3 | L39 L40 L44 F45 I46 V71 A75 V136 | L39-W42 PolarHBondContact O-N 3.36Å; L39-W42 VanDerWaalsContact O-N 3.12Å; L40-W42 VanDerWaalsContact C-N 3.3Å; L40-W42 PolarHBondContact O-N 3.43Å; W42-L44 VanDerWaalsContact C-N 3.32Å; W42-L44 PolarHBondContact O-N 3.49Å; W42-F45 HydrophobicContact CE3-CD1 4.43Å; W42-F45 HydrophobicContact CZ3-CD1 4.01Å; W42-F45 WeakPolarHBondContact O-CB 3.42Å; W42-F45 PolarHBondContact O-N 2.99Å; W42-F45 VanDerWaalsContact O-N 3.16Å; W42-I46 HydrophobicContact CD2-CD1 3.9Å; W42-I46 HydrophobicContact CD2-CG1 4.2Å; W42-I46 HydrophobicContact CE3-CG1 4.38Å; W42-I46 HydrophobicContact CG-CD1 4.38Å; W42-I46 HydrophobicContact CH2-CD1 4Å; W42-I46 HydrophobicContact CH2-CG1 3.89Å; W42-I46 HydrophobicContact CZ2-CD1 3.29Å; W42-I46 HydrophobicContact CZ2-CG1 3.72Å; W42-I46 HydrophobicContact CZ3-CG1 4.22Å; W42-I46 VanDerWaalsContact NE1-CD1 3.28Å; W42-I46 PolarHBondContact O-N 2.95Å; W42-V71 HydrophobicContact CH2-CG1 3.66Å; W42-V71 HydrophobicContact CZ3-CG1 4.13Å; W42-A75 HydrophobicContact CH2-CB 3.15Å; W42-A75 HydrophobicContact CZ2-CB 3.62Å; W42-A75 HydrophobicContact CZ3-CB 3.72Å; W42-V136 HydrophobicContact CZ3-CG1 4.23Å |
| 43 | N | 95.2 | Very high | 95.5 | Very high | 35 Ų | 35 | 20.9 Ų | 20.9 | 19% | 0.187 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.8 | -68.1 | -13.4 | 0 | 0 | 0 | 111.4 | L39 L40 F45 N47 S172 T176 | L39-N43 VanDerWaalsContact O-CG 3.3Å; L39-N43 PolarHBondContact O-N 3.06Å; L40-N43 PolarHBondContact O-N 3.17Å; N43-F45 VanDerWaalsContact C-N 3.34Å; N43-N47 WeakPolarHBondContact O-CB 3.24Å; N43-N47 PolarHBondContact O-N 3.02Å; N43-S172 PolarHBondContact ND2-OG 2.89Å; N43-T176 HydrophobicContact CB-CG2 3.89Å; N43-T176 VanDerWaalsContact CB-OG1 3.29Å; N43-T176 WeakPolarHBondContact CB-OG1 3.43Å |
| 44 | L | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.3 | -33.7 | 176.1 | -67.5 | 177.2 | 0 | 0 | 0 | 112.4 | L40 W42 S48 T176 M179 Y197 C200 A201 | L40-L44 HydrophobicContact CD1-CD1 3.9Å; L40-L44 HydrophobicContact CD1-CD2 4.38Å; L40-L44 HydrophobicContact CD1-CG 3.9Å; L40-L44 HydrophobicContact CG-CD1 3.84Å; L40-L44 HydrophobicContact CG-CG 4.26Å; L40-L44 WeakPolarHBondContact O-CB 3.29Å; L40-L44 VanDerWaalsContact O-CG 3.29Å; L40-L44 WeakPolarHBondContact O-CG 3.18Å; L40-L44 PolarHBondContact O-N 3.38Å; W42-L44 VanDerWaalsContact C-N 3.32Å; W42-L44 PolarHBondContact O-N 3.49Å; L44-S48 PolarHBondContact O-N 3.35Å; L44-T176 HydrophobicContact CD2-CG2 4.17Å; L44-M179 HydrophobicContact CD1-SD 4.42Å; L44-M179 HydrophobicContact CD2-CE 3.99Å; L44-M179 HydrophobicContact CD2-SD 3.63Å; L44-Y197 WeakPolarHBondContact CD1-O 3.5Å; L44-Y197 HydrophobicContact CD2-CD1 4.12Å; L44-Y197 HydrophobicContact CD2-CG 4.37Å; L44-C200 HydrophobicContact CD1-CB 3.77Å; L44-A201 HydrophobicContact CD1-CB 4.18Å |
| 45 | F | 95.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 6% | 0.057 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -53.7 | 174.6 | -175.1 | -85.5 | 0 | 0 | 0 | 111.2 | P41 W42 N43 N47 S48 Y52 V71 T132 V136 F198 | P41-F45 WeakPolarHBondContact O-CB 3.49Å; P41-F45 PolarHBondContact O-N 2.78Å; W42-F45 HydrophobicContact CE3-CD1 4.43Å; W42-F45 HydrophobicContact CZ3-CD1 4.01Å; W42-F45 WeakPolarHBondContact O-CB 3.42Å; W42-F45 PolarHBondContact O-N 2.99Å; W42-F45 VanDerWaalsContact O-N 3.16Å; N43-F45 VanDerWaalsContact C-N 3.34Å; F45-N47 VanDerWaalsContact C-N 3.3Å; F45-N47 PolarHBondContact O-N 2.96Å; F45-S48 PolarHBondContact O-N 3Å; F45-S48 PolarHBondContact O-OG 3.31Å; F45-Y52 HydrophobicContact CE2-CE2 4.25Å; F45-Y52 AromaticContact CE2-CZ 3.99Å; F45-Y52 WeakPolarHBondContact CE2-OH 3.44Å; F45-Y52 HydrophobicContact CZ-CE2 4.06Å; F45-Y52 AromaticContact CZ-CZ 3.95Å; F45-V71 HydrophobicContact CE1-CG1 4.01Å; F45-V71 HydrophobicContact CE1-CG2 4.25Å; F45-T132 HydrophobicContact CZ-CG2 3.96Å; F45-V136 HydrophobicContact CD1-CG2 4.4Å; F45-V136 HydrophobicContact CE1-CG2 3.53Å; F45-V136 HydrophobicContact CE2-CG2 4.03Å; F45-V136 HydrophobicContact CZ-CG2 3.31Å; F45-F198 AromaticContact CD2-CE1 3.83Å; F45-F198 HydrophobicContact CD2-CE1 3.83Å; F45-F198 HydrophobicContact CD2-CZ 4.46Å; F45-F198 HydrophobicContact CE2-CE1 4.44Å |
| 46 | I | 92.7 | Very high | 95 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 29% | 0.287 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 179.5 | -62.9 | 163.3 | 0 | 0 | 0 | 111.1 | W42 S48 E49 L68 | W42-I46 HydrophobicContact CD2-CD1 3.9Å; W42-I46 HydrophobicContact CD2-CG1 4.2Å; W42-I46 HydrophobicContact CE3-CG1 4.38Å; W42-I46 HydrophobicContact CG-CD1 4.38Å; W42-I46 HydrophobicContact CH2-CD1 4Å; W42-I46 HydrophobicContact CH2-CG1 3.89Å; W42-I46 HydrophobicContact CZ2-CD1 3.29Å; W42-I46 HydrophobicContact CZ2-CG1 3.72Å; W42-I46 HydrophobicContact CZ3-CG1 4.22Å; W42-I46 VanDerWaalsContact NE1-CD1 3.28Å; W42-I46 PolarHBondContact O-N 2.95Å; I46-S48 PolarHBondContact O-N 3.36Å; I46-S48 VanDerWaalsContact O-N 3.09Å; I46-E49 WeakPolarHBondContact O-CB 3.36Å; I46-E49 PolarHBondContact O-N 3.34Å; I46-L68 HydrophobicContact CG2-CD2 4.37Å |
| 47 | N | 91.7 | Very high | 94.9 | Very high | 36 Ų | 36 | 30.9 Ų | 30.9 | 19% | 0.193 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.6 | -13.4 | 178.7 | -85 | 26.8 | 0 | 0 | 0 | 114.1 | N43 F45 E49 T176 Y197 | N43-N47 WeakPolarHBondContact O-CB 3.24Å; N43-N47 PolarHBondContact O-N 3.02Å; F45-N47 VanDerWaalsContact C-N 3.3Å; F45-N47 PolarHBondContact O-N 2.96Å; N47-E49 VanDerWaalsContact C-N 3.26Å; N47-T176 HydrophobicContact CB-CG2 4.21Å; N47-T176 WeakPolarHBondContact ND2-CG2 3.42Å; N47-Y197 HydrophobicContact CB-CE2 4.17Å |
| 48 | S | 92.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 12.3 | 170.6 | 70.3 | 0 | 0 | 0 | 0 | 113.7 | L44 F45 I46 A50 Y51 Y52 F198 | L44-S48 PolarHBondContact O-N 3.35Å; F45-S48 PolarHBondContact O-N 3Å; F45-S48 PolarHBondContact O-OG 3.31Å; I46-S48 PolarHBondContact O-N 3.36Å; I46-S48 VanDerWaalsContact O-N 3.09Å; S48-A50 VanDerWaalsContact C-N 3.27Å; S48-A50 PolarHBondContact O-N 3.44Å; S48-A50 VanDerWaalsContact O-N 3.15Å; S48-Y51 VanDerWaalsContact O-CB 3.31Å; S48-Y51 WeakPolarHBondContact O-CB 3.27Å; S48-Y51 PolarHBondContact O-N 3.45Å; S48-Y52 WeakPolarHBondContact O-CD2 3.2Å; S48-Y52 WeakPolarHBondContact OG-CE2 3.38Å; S48-F198 WeakPolarHBondContact OG-CE1 3.49Å; S48-F198 WeakPolarHBondContact OG-CZ 3.48Å |
| 49 | E | 92.8 | Very high | 94.5 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 35% | 0.35 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -45.6 | -47.9 | 179.9 | -174.7 | -144.5 | 145.1 | 0 | 0 | 113.2 | I46 N47 Y51 Y52 T53 F67 L68 | I46-E49 WeakPolarHBondContact O-CB 3.36Å; I46-E49 PolarHBondContact O-N 3.34Å; N47-E49 VanDerWaalsContact C-N 3.26Å; E49-Y51 PolarHBondContact O-N 3.02Å; E49-Y51 VanDerWaalsContact O-N 3.15Å; E49-Y52 WeakPolarHBondContact O-CA 3.46Å; E49-Y52 WeakPolarHBondContact O-CB 3.3Å; E49-Y52 PolarHBondContact O-N 3.37Å; E49-T53 HydrophobicContact CG-CG2 3.98Å; E49-T53 PolarHBondContact O-N 2.92Å; E49-T53 PolarHBondContact O-OG1 3.35Å; E49-F67 HydrophobicContact CG-CD1 4.39Å; E49-L68 HydrophobicContact CG-CD1 4.13Å; E49-L68 HydrophobicContact CG-CD2 4.08Å; E49-L68 HydrophobicContact CG-CG 4.01Å |
| 50 | A | 91.9 | Very high | 94.4 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.5 | -28.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S48 Y52 K54 Y190 | S48-A50 VanDerWaalsContact C-N 3.27Å; S48-A50 PolarHBondContact O-N 3.44Å; S48-A50 VanDerWaalsContact O-N 3.15Å; A50-Y52 VanDerWaalsContact C-N 3.35Å; A50-K54 HydrophobicContact CB-CD 4.26Å; A50-K54 HydrophobicContact CB-CG 4.47Å; A50-K54 WeakPolarHBondContact O-CA 3.2Å; A50-K54 VanDerWaalsContact O-CB 3.25Å; A50-K54 WeakPolarHBondContact O-CB 3.35Å; A50-K54 PolarHBondContact O-N 3.29Å; A50-Y190 HydrophobicContact CB-CD1 3.92Å; A50-Y190 HydrophobicContact CB-CE1 3.82Å |
| 51 | Y | 94.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.2 | -36.7 | 172.4 | 153.4 | -97.7 | 0 | 0 | 0 | 112.2 | S48 E49 Y55 K56 P117 F128 A194 F198 | S48-Y51 VanDerWaalsContact O-CB 3.31Å; S48-Y51 WeakPolarHBondContact O-CB 3.27Å; S48-Y51 PolarHBondContact O-N 3.45Å; E49-Y51 PolarHBondContact O-N 3.02Å; E49-Y51 VanDerWaalsContact O-N 3.15Å; Y51-Y55 HydrophobicContact CD2-CD1 4.12Å; Y51-Y55 HydrophobicContact CE2-CD1 4.15Å; Y51-Y55 WeakPolarHBondContact O-CB 3.39Å; Y51-K56 HydrophobicContact CD2-CG 4.27Å; Y51-K56 HydrophobicContact CE1-CG 4.15Å; Y51-K56 HydrophobicContact CE2-CD 4.15Å; Y51-K56 HydrophobicContact CE2-CG 3.63Å; Y51-K56 PolarHBondContact O-N 3.29Å; Y51-K56 WeakPolarHBondContact OH-CE 3.39Å; Y51-P117 HydrophobicContact CE2-CB 3.9Å; Y51-P117 HydrophobicContact CE2-CG 4.24Å; Y51-P117 WeakPolarHBondContact OH-CA 3.04Å; Y51-F128 HydrophobicContact CE1-CZ 4.33Å; Y51-A194 HydrophobicContact CD1-CB 3.75Å; Y51-A194 HydrophobicContact CD2-CB 3.77Å; Y51-A194 HydrophobicContact CE1-CB 4.28Å; Y51-A194 HydrophobicContact CE2-CB 4.3Å; Y51-A194 HydrophobicContact CG-CB 3.46Å; Y51-A194 VanDerWaalsContact CG-CB 3.46Å; Y51-F198 HydrophobicContact CD1-CE2 4.46Å; Y51-F198 HydrophobicContact CE1-CE2 4.2Å |
| 52 | Y | 96.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -75 | -54.5 | 175 | -66.6 | -78.3 | 0 | 0 | 0 | 111.1 | F45 S48 E49 A50 K56 F57 F67 F128 T132 F198 | F45-Y52 HydrophobicContact CE2-CE2 4.25Å; F45-Y52 AromaticContact CE2-CZ 3.99Å; F45-Y52 WeakPolarHBondContact CE2-OH 3.44Å; F45-Y52 HydrophobicContact CZ-CE2 4.06Å; F45-Y52 AromaticContact CZ-CZ 3.95Å; S48-Y52 WeakPolarHBondContact O-CD2 3.2Å; S48-Y52 WeakPolarHBondContact OG-CE2 3.38Å; E49-Y52 WeakPolarHBondContact O-CA 3.46Å; E49-Y52 WeakPolarHBondContact O-CB 3.3Å; E49-Y52 PolarHBondContact O-N 3.37Å; A50-Y52 VanDerWaalsContact C-N 3.35Å; Y52-K56 PolarHBondContact O-N 2.95Å; Y52-F57 HydrophobicContact CD1-CE2 4.01Å; Y52-F57 WeakPolarHBondContact O-CB 3.48Å; Y52-F57 VanDerWaalsContact O-CD2 3.3Å; Y52-F57 WeakPolarHBondContact O-CD2 3.42Å; Y52-F57 PolarHBondContact O-N 2.99Å; Y52-F67 VanDerWaalsContact CB-CZ 3.43Å; Y52-F67 HydrophobicContact CD1-CE1 4.46Å; Y52-F67 AromaticContact CD1-CE2 3.83Å; Y52-F67 HydrophobicContact CD1-CE2 3.83Å; Y52-F67 AromaticContact CD1-CZ 3.6Å; Y52-F67 HydrophobicContact CD1-CZ 3.6Å; Y52-F67 AromaticContact CD2-CE1 3.57Å; Y52-F67 HydrophobicContact CD2-CE1 3.57Å; Y52-F67 HydrophobicContact CD2-CE2 4.37Å; Y52-F67 AromaticContact CD2-CZ 3.37Å; Y52-F67 HydrophobicContact CD2-CZ 3.37Å; Y52-F67 HydrophobicContact CE1-CZ 4.15Å; Y52-F67 HydrophobicContact CE2-CE1 4.39Å; Y52-F67 AromaticContact CE2-CZ 3.95Å; Y52-F67 HydrophobicContact CE2-CZ 3.95Å; Y52-F67 HydrophobicContact CG-CD1 4.48Å; Y52-F67 AromaticContact CG-CE1 3.6Å; Y52-F67 HydrophobicContact CG-CE1 3.6Å; Y52-F67 AromaticContact CG-CE2 3.74Å; Y52-F67 HydrophobicContact CG-CE2 3.74Å; Y52-F67 AromaticContact CG-CZ 3.16Å; Y52-F67 HydrophobicContact CG-CZ 3.16Å; Y52-F128 AromaticContact CD1-CE1 3.96Å; Y52-F128 HydrophobicContact CD1-CE1 3.96Å; Y52-F128 AromaticContact CD1-CZ 3.98Å; Y52-F128 HydrophobicContact CD1-CZ 3.98Å; Y52-F128 HydrophobicContact CE1-CE1 4.11Å; Y52-F128 AromaticContact CE1-CZ 3.72Å; Y52-F128 HydrophobicContact CE1-CZ 3.72Å; Y52-T132 HydrophobicContact CD1-CG2 4.26Å; Y52-T132 HydrophobicContact CE1-CG2 3.53Å; Y52-F198 HydrophobicContact CE2-CZ 4.04Å; Y52-F198 WeakPolarHBondContact OH-CZ 3.33Å |
| 53 | T | 95 | Very high | 93.8 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -77.7 | -36.2 | -168.6 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | E49 A64 F67 | E49-T53 HydrophobicContact CG-CG2 3.98Å; E49-T53 PolarHBondContact O-N 2.92Å; E49-T53 PolarHBondContact O-OG1 3.35Å; T53-A64 WeakPolarHBondContact CG2-O 3.41Å; T53-F67 HydrophobicContact CG2-CB 3.74Å; T53-F67 HydrophobicContact CG2-CD1 3.97Å; T53-F67 HydrophobicContact CG2-CG 4.09Å |
| 54 | K | 93.3 | Very high | 93.7 | Very high | 129 Ų | 129 | 51.9 Ų | 51.9 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | I | π-helix | trans | -101.4 | -8.7 | -175.4 | -51.8 | -172.7 | -179.7 | -177.2 | 0 | 114.3 | A50 Y190 | A50-K54 HydrophobicContact CB-CD 4.26Å; A50-K54 HydrophobicContact CB-CG 4.47Å; A50-K54 WeakPolarHBondContact O-CA 3.2Å; A50-K54 VanDerWaalsContact O-CB 3.25Å; A50-K54 WeakPolarHBondContact O-CB 3.35Å; A50-K54 PolarHBondContact O-N 3.29Å; K54-Y190 HydrophobicContact CB-CE2 4.13Å; K54-Y190 HydrophobicContact CD-CE1 4.34Å |
| 55 | Y | 94.8 | Very high | 93.5 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -123.9 | -66.7 | 180 | -176.6 | -101.2 | 0 | 0 | 0 | 111.8 | Y51 F57 A58 P191 | Y51-Y55 HydrophobicContact CD2-CD1 4.12Å; Y51-Y55 HydrophobicContact CE2-CD1 4.15Å; Y51-Y55 WeakPolarHBondContact O-CB 3.39Å; Y55-F57 PolarHBondContact O-N 3.37Å; Y55-A58 PolarHBondContact O-N 2.86Å; Y55-P191 HydrophobicContact CD1-CG 3.89Å; Y55-P191 HydrophobicContact CD2-CG 4.43Å; Y55-P191 HydrophobicContact CE1-CG 3.49Å; Y55-P191 VanDerWaalsContact CE1-CG 3.49Å; Y55-P191 HydrophobicContact CE2-CG 4.06Å; Y55-P191 HydrophobicContact CG-CG 4.35Å |
| 56 | K | 95.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 9% | 0.087 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -68.5 | -37.2 | -174.7 | -70 | -61.2 | -162.5 | 172.2 | 0 | 114.4 | Y51 Y52 V119 T121 F128 | Y51-K56 HydrophobicContact CD2-CG 4.27Å; Y51-K56 HydrophobicContact CE1-CG 4.15Å; Y51-K56 HydrophobicContact CE2-CD 4.15Å; Y51-K56 HydrophobicContact CE2-CG 3.63Å; Y51-K56 PolarHBondContact O-N 3.29Å; Y51-K56 WeakPolarHBondContact OH-CE 3.39Å; Y52-K56 PolarHBondContact O-N 2.95Å; K56-V119 PolarHBondContact NZ-O 3.17Å; K56-T121 WeakPolarHBondContact CD-OG1 3.31Å; K56-T121 PolarHBondContact NZ-OG1 3.48Å; K56-F128 HydrophobicContact CB-CD1 4.22Å; K56-F128 HydrophobicContact CB-CE1 3.53Å; K56-F128 HydrophobicContact CB-CZ 4.1Å; K56-F128 HydrophobicContact CD-CE1 4.23Å; K56-F128 HydrophobicContact CD-CZ 4.17Å; K56-F128 HydrophobicContact CG-CE1 3.68Å; K56-F128 HydrophobicContact CG-CZ 3.7Å |
| 57 | F | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 18.5 | 179.3 | -56.7 | -53 | 0 | 0 | 0 | 112.8 | Y52 Y55 Q59 E60 Y63 A64 F67 T125 F128 F129 | Y52-F57 HydrophobicContact CD1-CE2 4.01Å; Y52-F57 WeakPolarHBondContact O-CB 3.48Å; Y52-F57 VanDerWaalsContact O-CD2 3.3Å; Y52-F57 WeakPolarHBondContact O-CD2 3.42Å; Y52-F57 PolarHBondContact O-N 2.99Å; Y55-F57 PolarHBondContact O-N 3.37Å; F57-Q59 PolarHBondContact O-N 3.34Å; F57-Q59 VanDerWaalsContact O-N 3.13Å; F57-E60 CarbonylContact O-C 3.51Å; F57-E60 PolarHBondContact O-N 3.35Å; F57-Y63 AromaticContact CD1-CD2 3.79Å; F57-Y63 HydrophobicContact CD1-CD2 3.79Å; F57-Y63 HydrophobicContact CD1-CG 4.24Å; F57-Y63 HydrophobicContact CE1-CD2 4.03Å; F57-A64 HydrophobicContact CB-CB 4.14Å; F57-F67 HydrophobicContact CD2-CD2 4.1Å; F57-F67 HydrophobicContact CD2-CE2 4.48Å; F57-F67 AromaticContact CE2-CD2 3.73Å; F57-F67 HydrophobicContact CE2-CD2 3.73Å; F57-F67 AromaticContact CE2-CE2 3.77Å; F57-F67 HydrophobicContact CE2-CE2 3.77Å; F57-T125 HydrophobicContact CD1-CG2 3.56Å; F57-T125 HydrophobicContact CE1-CG2 3.76Å; F57-F128 AromaticContact CE1-CD1 3.64Å; F57-F128 HydrophobicContact CE1-CD1 3.64Å; F57-F128 HydrophobicContact CE1-CE1 4.05Å; F57-F128 HydrophobicContact CE2-CD1 4.49Å; F57-F128 HydrophobicContact CE2-CE1 4.12Å; F57-F128 AromaticContact CZ-CD1 3.52Å; F57-F128 HydrophobicContact CZ-CD1 3.52Å; F57-F128 AromaticContact CZ-CE1 3.57Å; F57-F128 HydrophobicContact CZ-CE1 3.57Å; F57-F129 HydrophobicContact CE1-CB 3.89Å; F57-F129 HydrophobicContact CE1-CD2 4.24Å; F57-F129 HydrophobicContact CE2-CD2 4.22Å; F57-F129 HydrophobicContact CZ-CB 3.87Å; F57-F129 AromaticContact CZ-CD2 3.77Å; F57-F129 HydrophobicContact CZ-CD2 3.77Å; F57-F129 HydrophobicContact CZ-CG 4.32Å |
| 58 | A | 93.1 | Very high | 93.4 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 51% | 0.512 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y55 | Y55-A58 PolarHBondContact O-N 2.86Š|
| 59 | Q | 92.2 | Very high | 93.3 | Very high | 161 Ų | 161 | 64.6 Ų | 64.6 | 75% | 0.752 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -2.1 | 178.3 | -62.3 | -179.3 | 4 | 0 | 0 | 113.4 | F57 P61 | F57-Q59 PolarHBondContact O-N 3.34Å; F57-Q59 VanDerWaalsContact O-N 3.13Å; Q59-P61 WeakPolarHBondContact O-CD 3.49Å |
| 60 | E | 93.2 | Very high | 93.4 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | trans | -122.2 | 87 | -176.8 | -66.4 | -57.7 | 157 | 0 | 0 | 110.6 | F57 E62 Y63 A64 T125 | F57-E60 CarbonylContact O-C 3.51Å; F57-E60 PolarHBondContact O-N 3.35Å; E60-E62 VanDerWaalsContact C-N 3.27Å; E60-E62 PolarHBondContact O-N 3.01Å; E60-Y63 HydrophobicContact CB-CD2 3.67Å; E60-Y63 HydrophobicContact CB-CE2 4.41Å; E60-Y63 HydrophobicContact CB-CG 4.27Å; E60-Y63 HydrophobicContact CG-CD2 4.03Å; E60-Y63 HydrophobicContact CG-CE2 4.37Å; E60-Y63 PolarHBondContact O-N 2.94Å; E60-A64 PolarHBondContact O-N 3.37Å; E60-T125 HydrophobicContact CG-CG2 3.74Å | ||
| 61 | P | 91.8 | Very high | 93.6 | Very high | 98 Ų | 98 | 63.2 Ų | 63.2 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.7 | -33.9 | -171.7 | -24.7 | 33.7 | 0 | 0 | 0 | 114.1 | Q59 K65 | Q59-P61 WeakPolarHBondContact O-CD 3.49Å; P61-K65 WeakPolarHBondContact O-CB 3.15Å; P61-K65 PolarHBondContact O-N 2.97Å |
| 62 | E | 93.3 | Very high | 93.5 | Very high | 118 Ų | 118 | 64.4 Ų | 64.4 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.5 | -49 | 178.6 | -176.2 | -180 | 165.4 | 0 | 0 | 111.2 | E60 N66 Y70 | E60-E62 VanDerWaalsContact C-N 3.27Å; E60-E62 PolarHBondContact O-N 3.01Å; E62-N66 WeakPolarHBondContact O-CB 3.35Å; E62-N66 PolarHBondContact O-N 2.86Å; E62-N66 VanDerWaalsContact O-N 3.16Å; E62-N66 PolarHBondContact O-ND2 3.01Å; E62-Y70 PolarHBondContact OE1-OH 3.34Å |
| 63 | Y | 93.8 | Very high | 93.3 | Very high | 43 Ų | 43 | 69.4 Ų | 69.4 | 17% | 0.169 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 178.5 | -62.4 | -27.6 | 0 | 0 | 0 | 111 | F57 E60 K65 N66 F67 T125 D126 F129 | F57-Y63 AromaticContact CD1-CD2 3.79Å; F57-Y63 HydrophobicContact CD1-CD2 3.79Å; F57-Y63 HydrophobicContact CD1-CG 4.24Å; F57-Y63 HydrophobicContact CE1-CD2 4.03Å; E60-Y63 HydrophobicContact CB-CD2 3.67Å; E60-Y63 HydrophobicContact CB-CE2 4.41Å; E60-Y63 HydrophobicContact CB-CG 4.27Å; E60-Y63 HydrophobicContact CG-CD2 4.03Å; E60-Y63 HydrophobicContact CG-CE2 4.37Å; E60-Y63 PolarHBondContact O-N 2.94Å; Y63-K65 PolarHBondContact O-N 3.29Å; Y63-N66 PolarHBondContact O-N 2.74Å; Y63-F67 VanDerWaalsContact O-CA 3.31Å; Y63-F67 WeakPolarHBondContact O-CA 3.48Å; Y63-F67 VanDerWaalsContact O-CB 3.22Å; Y63-F67 WeakPolarHBondContact O-CB 3.45Å; Y63-F67 PolarHBondContact O-N 3.34Å; Y63-T125 HydrophobicContact CD2-CG2 4.35Å; Y63-D126 VanDerWaalsContact CE2-OD1 3.27Å; Y63-D126 WeakPolarHBondContact CE2-OD1 3.4Å; Y63-D126 PolarHBondContact OH-OD1 2.85Å; Y63-F129 AromaticContact CD1-CD2 3.94Å; Y63-F129 HydrophobicContact CD1-CD2 3.94Å; Y63-F129 AromaticContact CD1-CE2 4Å; Y63-F129 HydrophobicContact CD1-CE2 4Å; Y63-F129 HydrophobicContact CD1-CG 4.29Å; Y63-F129 HydrophobicContact CD1-CZ 4.41Å; Y63-F129 HydrophobicContact CD2-CD2 4.48Å; Y63-F129 HydrophobicContact CE1-CD1 4.35Å; Y63-F129 HydrophobicContact CE1-CD2 4.39Å; Y63-F129 HydrophobicContact CE1-CG 4.28Å; Y63-F129 HydrophobicContact CE2-CB 4.4Å; Y63-F129 HydrophobicContact CG-CD2 4Å; Y63-F129 HydrophobicContact CG-CE2 4.38Å; Y63-F129 HydrophobicContact CG-CG 4.47Å |
| 64 | A | 93.2 | Very high | 93.4 | Very high | 26 Ų | 26 | 70 Ų | 70 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T53 F57 E60 | T53-A64 WeakPolarHBondContact CG2-O 3.41Å; F57-A64 HydrophobicContact CB-CB 4.14Å; E60-A64 PolarHBondContact O-N 3.37Å |
| 65 | K | 90.7 | Very high | 93.5 | Very high | 177 Ų | 177 | 63.9 Ų | 63.9 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.3 | -39.7 | -178.4 | -175.1 | 178.7 | 177.9 | -178.9 | 0 | 112.6 | P61 Y63 | P61-K65 WeakPolarHBondContact O-CB 3.15Å; P61-K65 PolarHBondContact O-N 2.97Å; Y63-K65 PolarHBondContact O-N 3.29Å |
| 66 | N | 92.2 | Very high | 93.4 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 33% | 0.326 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -100.9 | 3.3 | -173.2 | -61.8 | -42.3 | 0 | 0 | 0 | 113.5 | E62 Y63 L68 A69 Y70 | E62-N66 WeakPolarHBondContact O-CB 3.35Å; E62-N66 PolarHBondContact O-N 2.86Å; E62-N66 VanDerWaalsContact O-N 3.16Å; E62-N66 PolarHBondContact O-ND2 3.01Å; Y63-N66 PolarHBondContact O-N 2.74Å; N66-L68 PolarHBondContact O-N 3.3Å; N66-A69 WeakPolarHBondContact O-CB 3.49Å; N66-A69 PolarHBondContact O-N 3.33Å; N66-Y70 HydrophobicContact CB-CD2 3.92Å; N66-Y70 HydrophobicContact CB-CE2 3.55Å; N66-Y70 WeakPolarHBondContact O-CD2 3.38Å; N66-Y70 PolarHBondContact O-N 2.78Å |
| 67 | F | 94 | Very high | 93.4 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -51.7 | -51.6 | -173.5 | -177.3 | -109 | 0 | 0 | 0 | 113.2 | E49 Y52 T53 F57 Y63 A69 Y70 V71 T132 M133 | E49-F67 HydrophobicContact CG-CD1 4.39Å; Y52-F67 VanDerWaalsContact CB-CZ 3.43Å; Y52-F67 HydrophobicContact CD1-CE1 4.46Å; Y52-F67 AromaticContact CD1-CE2 3.83Å; Y52-F67 HydrophobicContact CD1-CE2 3.83Å; Y52-F67 AromaticContact CD1-CZ 3.6Å; Y52-F67 HydrophobicContact CD1-CZ 3.6Å; Y52-F67 AromaticContact CD2-CE1 3.57Å; Y52-F67 HydrophobicContact CD2-CE1 3.57Å; Y52-F67 HydrophobicContact CD2-CE2 4.37Å; Y52-F67 AromaticContact CD2-CZ 3.37Å; Y52-F67 HydrophobicContact CD2-CZ 3.37Å; Y52-F67 HydrophobicContact CE1-CZ 4.15Å; Y52-F67 HydrophobicContact CE2-CE1 4.39Å; Y52-F67 AromaticContact CE2-CZ 3.95Å; Y52-F67 HydrophobicContact CE2-CZ 3.95Å; Y52-F67 HydrophobicContact CG-CD1 4.48Å; Y52-F67 AromaticContact CG-CE1 3.6Å; Y52-F67 HydrophobicContact CG-CE1 3.6Å; Y52-F67 AromaticContact CG-CE2 3.74Å; Y52-F67 HydrophobicContact CG-CE2 3.74Å; Y52-F67 AromaticContact CG-CZ 3.16Å; Y52-F67 HydrophobicContact CG-CZ 3.16Å; T53-F67 HydrophobicContact CG2-CB 3.74Å; T53-F67 HydrophobicContact CG2-CD1 3.97Å; T53-F67 HydrophobicContact CG2-CG 4.09Å; F57-F67 HydrophobicContact CD2-CD2 4.1Å; F57-F67 HydrophobicContact CD2-CE2 4.48Å; F57-F67 AromaticContact CE2-CD2 3.73Å; F57-F67 HydrophobicContact CE2-CD2 3.73Å; F57-F67 AromaticContact CE2-CE2 3.77Å; F57-F67 HydrophobicContact CE2-CE2 3.77Å; Y63-F67 VanDerWaalsContact O-CA 3.31Å; Y63-F67 WeakPolarHBondContact O-CA 3.48Å; Y63-F67 VanDerWaalsContact O-CB 3.22Å; Y63-F67 WeakPolarHBondContact O-CB 3.45Å; Y63-F67 PolarHBondContact O-N 3.34Å; F67-A69 VanDerWaalsContact C-N 3.29Å; F67-A69 PolarHBondContact O-N 3.39Å; F67-Y70 PolarHBondContact O-N 3.44Å; F67-V71 HydrophobicContact CD1-CG2 4.16Å; F67-V71 HydrophobicContact CD2-CG2 4.19Å; F67-V71 HydrophobicContact CE1-CG2 3.72Å; F67-V71 HydrophobicContact CE2-CG2 3.75Å; F67-V71 HydrophobicContact CG-CG2 4.38Å; F67-V71 HydrophobicContact CZ-CG2 3.48Å; F67-V71 VanDerWaalsContact CZ-CG2 3.48Å; F67-V71 WeakPolarHBondContact O-CB 2.88Å; F67-V71 WeakPolarHBondContact O-CG2 3.35Å; F67-V71 PolarHBondContact O-N 3.07Å; F67-T132 HydrophobicContact CE2-CG2 4.35Å; F67-T132 HydrophobicContact CZ-CG2 4.48Å; F67-M133 HydrophobicContact CD2-CE 3.9Å; F67-M133 HydrophobicContact CE2-CE 3.55Å; F67-M133 HydrophobicContact CZ-CE 4.47Å |
| 68 | L | 91.2 | Very high | 93.4 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -32.6 | -180 | -77.1 | 168 | 0 | 0 | 0 | 112.7 | I46 E49 N66 G72 | I46-L68 HydrophobicContact CG2-CD2 4.37Å; E49-L68 HydrophobicContact CG-CD1 4.13Å; E49-L68 HydrophobicContact CG-CD2 4.08Å; E49-L68 HydrophobicContact CG-CG 4.01Å; N66-L68 PolarHBondContact O-N 3.3Å; L68-G72 PolarHBondContact O-N 3.44Å |
| 69 | A | 91.4 | Very high | 93.5 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 44% | 0.438 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.3 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N66 F67 G72 I73 | N66-A69 WeakPolarHBondContact O-CB 3.49Å; N66-A69 PolarHBondContact O-N 3.33Å; F67-A69 VanDerWaalsContact C-N 3.29Å; F67-A69 PolarHBondContact O-N 3.39Å; A69-G72 PolarHBondContact O-N 2.96Å; A69-I73 WeakPolarHBondContact O-CG1 3.49Å; A69-I73 PolarHBondContact O-N 3.19Å |
| 70 | Y | 95 | Very high | 93.6 | Very high | 75 Ų | 75 | 55 Ų | 55 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 175.2 | -65.8 | -43.5 | 0 | 0 | 0 | 111.9 | E62 N66 F67 G72 I73 C74 F129 | E62-Y70 PolarHBondContact OE1-OH 3.34Å; N66-Y70 HydrophobicContact CB-CD2 3.92Å; N66-Y70 HydrophobicContact CB-CE2 3.55Å; N66-Y70 WeakPolarHBondContact O-CD2 3.38Å; N66-Y70 PolarHBondContact O-N 2.78Å; F67-Y70 PolarHBondContact O-N 3.44Å; Y70-G72 VanDerWaalsContact C-N 3.29Å; Y70-G72 PolarHBondContact O-N 3.12Å; Y70-I73 PolarHBondContact O-N 3.01Å; Y70-C74 WeakPolarHBondContact O-CB 2.81Å; Y70-C74 PolarHBondContact O-N 2.89Å; Y70-C74 PolarHBondContact O-SG 2.91Å; Y70-C74 VanDerWaalsContact O-SG 3.42Å; Y70-F129 AromaticContact CD2-CE2 3.71Å; Y70-F129 HydrophobicContact CD2-CE2 3.71Å; Y70-F129 AromaticContact CD2-CZ 3.47Å; Y70-F129 HydrophobicContact CD2-CZ 3.47Å; Y70-F129 VanDerWaalsContact CD2-CZ 3.47Å; Y70-F129 HydrophobicContact CE2-CE2 4.33Å; Y70-F129 AromaticContact CE2-CZ 4Å; Y70-F129 HydrophobicContact CE2-CZ 4Å; Y70-F129 HydrophobicContact CG-CE2 4.38Å; Y70-F129 AromaticContact CG-CZ 3.85Å; Y70-F129 HydrophobicContact CG-CZ 3.85Å |
| 71 | V | 95.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -42.1 | 175.3 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | W42 F45 F67 C74 A75 M133 | W42-V71 HydrophobicContact CH2-CG1 3.66Å; W42-V71 HydrophobicContact CZ3-CG1 4.13Å; F45-V71 HydrophobicContact CE1-CG1 4.01Å; F45-V71 HydrophobicContact CE1-CG2 4.25Å; F67-V71 HydrophobicContact CD1-CG2 4.16Å; F67-V71 HydrophobicContact CD2-CG2 4.19Å; F67-V71 HydrophobicContact CE1-CG2 3.72Å; F67-V71 HydrophobicContact CE2-CG2 3.75Å; F67-V71 HydrophobicContact CG-CG2 4.38Å; F67-V71 HydrophobicContact CZ-CG2 3.48Å; F67-V71 VanDerWaalsContact CZ-CG2 3.48Å; F67-V71 WeakPolarHBondContact O-CB 2.88Å; F67-V71 WeakPolarHBondContact O-CG2 3.35Å; F67-V71 PolarHBondContact O-N 3.07Å; V71-C74 PolarHBondContact O-N 2.74Å; V71-A75 WeakPolarHBondContact O-CB 3.32Å; V71-A75 PolarHBondContact O-N 3.33Å; V71-M133 HydrophobicContact CG2-CE 3.74Å; V71-M133 HydrophobicContact CG2-SD 4.24Å |
| 72 | G | 92.5 | Very high | 93.8 | Very high | 28 Ų | 28 | 54.8 Ų | 54.8 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L68 A69 Y70 A75 Q76 | L68-G72 PolarHBondContact O-N 3.44Å; A69-G72 PolarHBondContact O-N 2.96Å; Y70-G72 VanDerWaalsContact C-N 3.29Å; Y70-G72 PolarHBondContact O-N 3.12Å; G72-A75 PolarHBondContact O-N 3.11Å; G72-Q76 VanDerWaalsContact O-CB 3.3Å; G72-Q76 WeakPolarHBondContact O-CB 3.47Å; G72-Q76 WeakPolarHBondContact O-CG 3.29Å; G72-Q76 PolarHBondContact O-N 3Å |
| 73 | I | 92.9 | Very high | 93.8 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 55% | 0.549 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.8 | -48.8 | 177.8 | -64 | 168.1 | 0 | 0 | 0 | 110.5 | A69 Y70 A75 Q76 V77 | A69-I73 WeakPolarHBondContact O-CG1 3.49Å; A69-I73 PolarHBondContact O-N 3.19Å; Y70-I73 PolarHBondContact O-N 3.01Å; I73-A75 PolarHBondContact O-N 3.37Å; I73-Q76 PolarHBondContact O-N 3.11Å; I73-V77 HydrophobicContact CG2-CG2 4.23Å; I73-V77 WeakPolarHBondContact O-CB 3.34Å; I73-V77 PolarHBondContact O-N 3.29Å |
| 74 | C | 96.3 | Very high | 93.7 | Very high | 30 Ų | 30 | 51 Ų | 51 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -25.3 | -180 | -74.5 | 0 | 0 | 0 | 0 | 113.4 | Y70 V71 P78 M133 V136 V137 | Y70-C74 WeakPolarHBondContact O-CB 2.81Å; Y70-C74 PolarHBondContact O-N 2.89Å; Y70-C74 PolarHBondContact O-SG 2.91Å; Y70-C74 VanDerWaalsContact O-SG 3.42Å; V71-C74 PolarHBondContact O-N 2.74Å; C74-P78 WeakPolarHBondContact O-CD 3.31Å; C74-P78 WeakPolarHBondContact O-CG 3.23Å; C74-M133 HydrophobicContact CB-SD 4.36Å; C74-V136 HydrophobicContact CB-CB 4.41Å; C74-V136 HydrophobicContact CB-CG1 3.95Å; C74-V137 HydrophobicContact CB-CG2 3.85Å; C74-V137 WeakPolarHBondContact O-CG2 3.21Å |
| 75 | A | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -86.7 | -51.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W42 V71 G72 I73 N79 V136 C140 | W42-A75 HydrophobicContact CH2-CB 3.15Å; W42-A75 HydrophobicContact CZ2-CB 3.62Å; W42-A75 HydrophobicContact CZ3-CB 3.72Å; V71-A75 WeakPolarHBondContact O-CB 3.32Å; V71-A75 PolarHBondContact O-N 3.33Å; G72-A75 PolarHBondContact O-N 3.11Å; I73-A75 PolarHBondContact O-N 3.37Å; A75-N79 WeakPolarHBondContact O-CB 3.5Å; A75-N79 PolarHBondContact O-N 3.34Å; A75-V136 HydrophobicContact CB-CG1 3.85Å; A75-C140 VanDerWaalsContact CA-SG 3.58Å; A75-C140 HydrophobicContact CB-CB 4.34Å; A75-C140 VanDerWaalsContact CB-SG 3.51Å; A75-C140 VanDerWaalsContact O-CB 3.31Å; A75-C140 WeakPolarHBondContact O-CB 3.36Å |
| 76 | Q | 93.2 | Very high | 93.6 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -77.5 | -41.2 | -165.8 | -60.3 | -68.7 | 35.5 | 0 | 0 | 112.7 | G72 I73 N79 L80 V420 | G72-Q76 VanDerWaalsContact O-CB 3.3Å; G72-Q76 WeakPolarHBondContact O-CB 3.47Å; G72-Q76 WeakPolarHBondContact O-CG 3.29Å; G72-Q76 PolarHBondContact O-N 3Å; I73-Q76 PolarHBondContact O-N 3.11Å; Q76-N79 PolarHBondContact O-N 2.91Å; Q76-L80 WeakPolarHBondContact O-CB 3.16Å; Q76-L80 PolarHBondContact O-N 2.9Å; Q76-V420 HydrophobicContact CB-CG2 4.07Å |
| 77 | V | 94.2 | Very high | 93.3 | Very high | 76 Ų | 76 | 42.4 Ų | 42.4 | 46% | 0.461 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -50.7 | -178 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | I73 N79 L80 I81 | I73-V77 HydrophobicContact CG2-CG2 4.23Å; I73-V77 WeakPolarHBondContact O-CB 3.34Å; I73-V77 PolarHBondContact O-N 3.29Å; V77-N79 PolarHBondContact O-N 2.57Å; V77-L80 PolarHBondContact O-N 3.5Å; V77-I81 HydrophobicContact CG1-CD1 3.63Å; V77-I81 HydrophobicContact CG1-CG1 4.41Å; V77-I81 VanDerWaalsContact O-CG1 3.29Å; V77-I81 WeakPolarHBondContact O-CG1 3.31Å; V77-I81 PolarHBondContact O-N 3.12Å |
| 78 | P | 95.5 | Very high | 92.9 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -39.5 | 178 | -21.6 | 36.4 | 0 | 0 | 0 | 112.3 | C74 L80 I81 F82 V137 S141 | C74-P78 WeakPolarHBondContact O-CD 3.31Å; C74-P78 WeakPolarHBondContact O-CG 3.23Å; P78-L80 VanDerWaalsContact C-N 3.33Å; P78-L80 PolarHBondContact O-N 2.78Å; P78-I81 PolarHBondContact O-N 2.71Å; P78-F82 HydrophobicContact CB-CD2 4.43Å; P78-F82 WeakPolarHBondContact O-CB 3.43Å; P78-F82 WeakPolarHBondContact O-CD2 3.43Å; P78-F82 PolarHBondContact O-N 2.94Å; P78-V137 HydrophobicContact CB-CG1 4.14Å; P78-V137 HydrophobicContact CG-CB 4.32Å; P78-V137 HydrophobicContact CG-CG1 3.86Å; P78-V137 HydrophobicContact CG-CG2 4.11Å; P78-S141 WeakPolarHBondContact CB-OG 3.24Å |
| 79 | N | 95.8 | Very high | 92.4 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 175.8 | -175.9 | 7.2 | 0 | 0 | 0 | 111.3 | A75 Q76 V77 S83 C140 G144 | A75-N79 WeakPolarHBondContact O-CB 3.5Å; A75-N79 PolarHBondContact O-N 3.34Å; Q76-N79 PolarHBondContact O-N 2.91Å; V77-N79 PolarHBondContact O-N 2.57Å; N79-S83 WeakPolarHBondContact O-CB 3.36Å; N79-S83 PolarHBondContact O-N 3.39Å; N79-S83 PolarHBondContact O-OG 3.49Å; N79-S83 PolarHBondContact OD1-OG 3.12Å; N79-C140 HydrophobicContact CB-CB 4.29Å; N79-G144 WeakPolarHBondContact OD1-CA 3.43Å; N79-G144 PolarHBondContact OD1-N 3.04Å |
| 80 | L | 94.2 | Very high | 91.3 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 178.5 | -176.7 | 64.9 | 0 | 0 | 0 | 112.1 | Q76 V77 P78 S83 L84 L413 V416 L417 V420 | Q76-L80 WeakPolarHBondContact O-CB 3.16Å; Q76-L80 PolarHBondContact O-N 2.9Å; V77-L80 PolarHBondContact O-N 3.5Å; P78-L80 VanDerWaalsContact C-N 3.33Å; P78-L80 PolarHBondContact O-N 2.78Å; L80-S83 PolarHBondContact O-N 2.99Å; L80-L84 VanDerWaalsContact O-CB 3.27Å; L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 PolarHBondContact O-N 3.23Å; L80-L413 HydrophobicContact CD1-CD1 3.92Å; L80-V416 HydrophobicContact CB-CG1 4.22Å; L80-V416 HydrophobicContact CD1-CG1 4.12Å; L80-L417 HydrophobicContact CD1-CB 4.38Å; L80-L417 HydrophobicContact CD1-CD1 4.4Å; L80-L417 HydrophobicContact CD2-CD1 4.37Å; L80-V420 HydrophobicContact CB-CG2 4.41Å; L80-V420 HydrophobicContact CD2-CG2 4.32Å |
| 81 | I | 95.2 | Very high | 89.8 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -51.1 | -179.1 | -70.3 | 170.7 | 0 | 0 | 0 | 110.7 | V77 P78 S83 L84 I85 | V77-I81 HydrophobicContact CG1-CD1 3.63Å; V77-I81 HydrophobicContact CG1-CG1 4.41Å; V77-I81 VanDerWaalsContact O-CG1 3.29Å; V77-I81 WeakPolarHBondContact O-CG1 3.31Å; V77-I81 PolarHBondContact O-N 3.12Å; P78-I81 PolarHBondContact O-N 2.71Å; I81-S83 PolarHBondContact O-N 2.97Å; I81-L84 WeakPolarHBondContact O-CB 3.48Å; I81-L84 PolarHBondContact O-N 3.27Å; I81-I85 HydrophobicContact CG2-CD1 3.72Å; I81-I85 HydrophobicContact CG2-CG1 4.43Å; I81-I85 VanDerWaalsContact O-CG1 3.32Å; I81-I85 WeakPolarHBondContact O-CG1 3.34Å; I81-I85 PolarHBondContact O-N 3.2Å |
| 82 | F | 94.4 | Very high | 88.2 | Confident | 84 Ų | 84 | 59 Ų | 59 | 37% | 0.368 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.4 | -35 | -179.1 | -81.8 | -87.6 | 0 | 0 | 0 | 111.4 | P78 L84 I85 N86 S141 I145 | P78-F82 HydrophobicContact CB-CD2 4.43Å; P78-F82 WeakPolarHBondContact O-CB 3.43Å; P78-F82 WeakPolarHBondContact O-CD2 3.43Å; P78-F82 PolarHBondContact O-N 2.94Å; F82-L84 VanDerWaalsContact C-N 3.31Å; F82-L84 PolarHBondContact O-N 3.01Å; F82-I85 PolarHBondContact O-N 3.04Å; F82-N86 WeakPolarHBondContact O-CB 3.45Å; F82-N86 PolarHBondContact O-N 3.49Å; F82-S141 VanDerWaalsContact CD2-CB 3.48Å; F82-S141 VanDerWaalsContact CD2-OG 3.3Å; F82-S141 WeakPolarHBondContact CD2-OG 3.21Å; F82-S141 WeakPolarHBondContact CE2-OG 3.38Å; F82-I145 HydrophobicContact CB-CG1 4.24Å; F82-I145 HydrophobicContact CD1-CD1 3.97Å |
| 83 | S | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 170.6 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | N79 L80 I81 T87 G144 N148 | N79-S83 WeakPolarHBondContact O-CB 3.36Å; N79-S83 PolarHBondContact O-N 3.39Å; N79-S83 PolarHBondContact O-OG 3.49Å; N79-S83 PolarHBondContact OD1-OG 3.12Å; L80-S83 PolarHBondContact O-N 2.99Å; I81-S83 PolarHBondContact O-N 2.97Å; S83-T87 WeakPolarHBondContact O-CB 3.48Å; S83-T87 PolarHBondContact O-N 3.14Å; S83-T87 PolarHBondContact O-OG1 3.45Å; S83-G144 WeakPolarHBondContact OG-CA 3.33Å; S83-G144 PolarHBondContact OG-O 3.1Å; S83-N148 VanDerWaalsContact CA-ND2 3.31Å; S83-N148 WeakPolarHBondContact CA-ND2 3.45Å; S83-N148 WeakPolarHBondContact CB-ND2 3.13Å; S83-N148 PolarHBondContact O-ND2 3.03Å |
| 84 | L | 92.5 | Very high | 86.5 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.1 | -51.9 | 178.7 | -172.2 | 154.3 | 0 | 0 | 0 | 110.9 | L80 I81 F82 N86 T87 F88 L413 | L80-L84 VanDerWaalsContact O-CB 3.27Å; L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 PolarHBondContact O-N 3.23Å; I81-L84 WeakPolarHBondContact O-CB 3.48Å; I81-L84 PolarHBondContact O-N 3.27Å; F82-L84 VanDerWaalsContact C-N 3.31Å; F82-L84 PolarHBondContact O-N 3.01Å; L84-N86 VanDerWaalsContact C-N 3.29Å; L84-N86 PolarHBondContact O-N 3.06Å; L84-T87 PolarHBondContact O-N 3.49Å; L84-T87 VanDerWaalsContact O-N 3.15Å; L84-F88 HydrophobicContact CD2-CD2 3.83Å; L84-F88 HydrophobicContact CD2-CE2 4.42Å; L84-F88 HydrophobicContact CG-CD2 3.74Å; L84-F88 HydrophobicContact CG-CE2 3.88Å; L84-F88 VanDerWaalsContact O-CD2 3.25Å; L84-F88 WeakPolarHBondContact O-CD2 3.27Å; L84-F88 PolarHBondContact O-N 3.42Å; L84-L413 HydrophobicContact CB-CD1 4.13Å |
| 85 | I | 91.5 | Very high | 86.1 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.3 | -48.3 | 175.6 | -68.6 | 169.1 | 0 | 0 | 0 | 109.7 | I81 F82 T87 F88 L89 | I81-I85 HydrophobicContact CG2-CD1 3.72Å; I81-I85 HydrophobicContact CG2-CG1 4.43Å; I81-I85 VanDerWaalsContact O-CG1 3.32Å; I81-I85 WeakPolarHBondContact O-CG1 3.34Å; I81-I85 PolarHBondContact O-N 3.2Å; F82-I85 PolarHBondContact O-N 3.04Å; I85-T87 VanDerWaalsContact C-N 3.26Å; I85-T87 PolarHBondContact O-N 3.11Å; I85-F88 PolarHBondContact O-N 2.98Å; I85-L89 HydrophobicContact CG1-CD1 4.46Å; I85-L89 HydrophobicContact CG2-CB 4.29Å; I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 WeakPolarHBondContact O-CA 3.45Å; I85-L89 VanDerWaalsContact O-CB 3.28Å; I85-L89 WeakPolarHBondContact O-CB 3.17Å; I85-L89 PolarHBondContact O-N 3.35Å |
| 86 | N | 90.5 | Very high | 85.9 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -33.8 | -178.1 | -166.8 | 61.5 | 0 | 0 | 0 | 112.5 | F82 L84 R98 I145 N148 M409 | F82-N86 WeakPolarHBondContact O-CB 3.45Å; F82-N86 PolarHBondContact O-N 3.49Å; L84-N86 VanDerWaalsContact C-N 3.29Å; L84-N86 PolarHBondContact O-N 3.06Å; N86-R98 PolarHBondContact ND2-NH2 3.11Å; N86-R98 PolarHBondContact O-NH2 3.32Å; N86-R98 PolarHBondContact OD1-NE 3.41Å; N86-R98 PolarHBondContact OD1-NH2 2.88Å; N86-I145 HydrophobicContact CB-CG1 4.13Å; N86-I145 PolarHBondContact ND2-O 2.98Å; N86-I145 VanDerWaalsContact ND2-O 3.14Å; N86-I145 WeakPolarHBondContact OD1-CG2 3.36Å; N86-N148 WeakPolarHBondContact ND2-CB 3.28Å; N86-M409 WeakPolarHBondContact O-CE 3.35Å |
| 87 | T | 86.4 | Confident | 85.8 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.9 | -41.9 | -179.4 | -57 | 0 | 0 | 0 | 0 | 112.3 | S83 L84 I85 N148 M409 M410 | S83-T87 WeakPolarHBondContact O-CB 3.48Å; S83-T87 PolarHBondContact O-N 3.14Å; S83-T87 PolarHBondContact O-OG1 3.45Å; L84-T87 PolarHBondContact O-N 3.49Å; L84-T87 VanDerWaalsContact O-N 3.15Å; I85-T87 VanDerWaalsContact C-N 3.26Å; I85-T87 PolarHBondContact O-N 3.11Å; T87-N148 PolarHBondContact OG1-ND2 3.17Å; T87-N148 VanDerWaalsContact OG1-ND2 3.1Å; T87-M409 HydrophobicContact CG2-CB 4.18Å; T87-M410 HydrophobicContact CG2-CG 3.91Å |
| 88 | F | 84.6 | Confident | 85.7 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -101.6 | -21.5 | -170.8 | -59.7 | -55.6 | 0 | 0 | 0 | 114.7 | L84 I85 P90 L260 M410 L413 | L84-F88 HydrophobicContact CD2-CD2 3.83Å; L84-F88 HydrophobicContact CD2-CE2 4.42Å; L84-F88 HydrophobicContact CG-CD2 3.74Å; L84-F88 HydrophobicContact CG-CE2 3.88Å; L84-F88 VanDerWaalsContact O-CD2 3.25Å; L84-F88 WeakPolarHBondContact O-CD2 3.27Å; L84-F88 PolarHBondContact O-N 3.42Å; I85-F88 PolarHBondContact O-N 2.98Å; F88-P90 VanDerWaalsContact C-CD 3.44Å; F88-P90 WeakPolarHBondContact O-CD 3.37Å; F88-L260 HydrophobicContact CD1-CD1 3.44Å; F88-L260 VanDerWaalsContact CD1-CD1 3.44Å; F88-L260 HydrophobicContact CD1-CD2 3.26Å; F88-L260 HydrophobicContact CD1-CG 3.84Å; F88-L260 HydrophobicContact CE1-CD1 3.6Å; F88-L260 HydrophobicContact CE1-CD2 3.36Å; F88-L260 HydrophobicContact CE1-CG 3.75Å; F88-L260 HydrophobicContact CG-CD2 4.3Å; F88-L260 HydrophobicContact CZ-CD2 4.44Å; F88-M410 HydrophobicContact CE1-CE 4.03Å; F88-L413 HydrophobicContact CE2-CD2 3.51Å; F88-L413 HydrophobicContact CZ-CD2 3.76Å |
| 89 | L | 81.4 | Confident | 85.6 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 58% | 0.576 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -113.4 | 79.1 | 177.5 | -66.7 | 160.1 | 0 | 0 | 0 | 109.1 | I85 T91 | I85-L89 HydrophobicContact CG1-CD1 4.46Å; I85-L89 HydrophobicContact CG2-CB 4.29Å; I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 WeakPolarHBondContact O-CA 3.45Å; I85-L89 VanDerWaalsContact O-CB 3.28Å; I85-L89 WeakPolarHBondContact O-CB 3.17Å; I85-L89 PolarHBondContact O-N 3.35Å; L89-T91 PolarHBondContact O-N 2.94Å |
| 90 | P | 67.2 | Low | 85.6 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | trans | -60.9 | 107.1 | 179.9 | 22.8 | -31.6 | 0 | 0 | 0 | 110.5 | F88 | F88-P90 VanDerWaalsContact C-CD 3.44Å; F88-P90 WeakPolarHBondContact O-CD 3.37Å | ||
| 91 | T | 65 | Low | 85.6 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | trans | -69.4 | 143.4 | 178.6 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | L89 G93 R98 | L89-T91 PolarHBondContact O-N 2.94Å; T91-G93 PolarHBondContact O-N 3.28Å; T91-R98 VanDerWaalsContact OG1-CD 3.28Å; T91-R98 WeakPolarHBondContact OG1-CD 3.39Å | ||
| 92 | K | 61.8 | Low | 85.6 | Confident | 210 Ų | 210 | 57.6 Ų | 57.6 | 91% | 0.913 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 120 | 172.8 | -68.4 | -177.1 | 177.3 | 179.9 | 0 | 109.9 | ||
| 93 | G | 65.8 | Low | 85.7 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 136.7 | -7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | T91 K97 | T91-G93 PolarHBondContact O-N 3.28Å; G93-K97 WeakPolarHBondContact O-CB 3.41Å |
| 94 | G | 83.6 | Confident | 85.9 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | 74.3 | 171.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L96 R98 | G94-L96 PolarHBondContact O-N 2.94Å; G94-R98 WeakPolarHBondContact O-CD 3.12Å |
| 95 | L | 88.3 | Confident | 86.1 | Confident | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | -175.5 | -70.5 | 93.3 | 0 | 0 | 0 | 112.4 | K97 R98 M99 M409 | L95-K97 PolarHBondContact O-N 2.83Å; L95-R98 PolarHBondContact O-N 3.32Å; L95-M99 WeakPolarHBondContact O-CB 3.43Å; L95-M99 PolarHBondContact O-N 3.13Å; L95-M409 HydrophobicContact CD2-SD 4.2Å |
| 96 | L | 90.5 | Very high | 86.4 | Confident | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | -176.3 | -59.7 | -176.7 | 0 | 0 | 0 | 112.6 | G94 M99 A100 L153 F212 F221 Y225 | G94-L96 PolarHBondContact O-N 2.94Å; L96-M99 PolarHBondContact O-N 3.13Å; L96-A100 PolarHBondContact O-N 2.88Å; L96-L153 HydrophobicContact CD2-CD1 4.2Å; L96-L153 HydrophobicContact CD2-CD2 3.92Å; L96-F212 HydrophobicContact CB-CE2 4.09Å; L96-F212 HydrophobicContact CB-CZ 3.88Å; L96-F212 HydrophobicContact CD2-CE2 3.74Å; L96-F212 HydrophobicContact CD2-CZ 4.39Å; L96-F212 HydrophobicContact CG-CE2 4.41Å; L96-F212 VanDerWaalsContact O-CZ 3.25Å; L96-F212 WeakPolarHBondContact O-CZ 3.36Å; L96-F221 HydrophobicContact CD2-CZ 4.06Å; L96-Y225 HydrophobicContact CD1-CD1 4.08Å; L96-Y225 HydrophobicContact CD1-CE1 3.37Å; L96-Y225 HydrophobicContact CD1-CE2 4.13Å; L96-Y225 VanDerWaalsContact CD1-CZ 3.42Å; L96-Y225 HydrophobicContact CD2-CE2 4.26Å; L96-Y225 HydrophobicContact CG-CE1 4.11Å; L96-Y225 HydrophobicContact CG-CE2 4.02Å; L96-Y225 WeakPolarHBondContact CG-OH 3.25Å |
| 97 | K | 91 | Very high | 86.7 | Confident | 120 Ų | 120 | 52.3 Ų | 52.3 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 178.1 | -173.6 | 180 | 177.6 | -178.4 | 0 | 111.5 | G93 L95 M99 A100 I101 | G93-K97 WeakPolarHBondContact O-CB 3.41Å; L95-K97 PolarHBondContact O-N 2.83Å; K97-M99 VanDerWaalsContact C-N 3.32Å; K97-M99 PolarHBondContact O-N 3.28Å; K97-A100 PolarHBondContact O-N 3.25Å; K97-I101 HydrophobicContact CG-CD1 4Å; K97-I101 WeakPolarHBondContact O-CG1 3.38Å; K97-I101 PolarHBondContact O-N 3.47Å |
| 98 | R | 93.2 | Very high | 87.2 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 178.2 | -69.2 | 155.2 | 63.9 | 171.7 | -18.1 | 111.5 | N86 T91 G94 L95 I101 S102 I145 | N86-R98 PolarHBondContact ND2-NH2 3.11Å; N86-R98 PolarHBondContact O-NH2 3.32Å; N86-R98 PolarHBondContact OD1-NE 3.41Å; N86-R98 PolarHBondContact OD1-NH2 2.88Å; T91-R98 VanDerWaalsContact OG1-CD 3.28Å; T91-R98 WeakPolarHBondContact OG1-CD 3.39Å; G94-R98 WeakPolarHBondContact O-CD 3.12Å; L95-R98 PolarHBondContact O-N 3.32Å; R98-I101 PolarHBondContact O-N 2.92Å; R98-S102 WeakPolarHBondContact O-CB 3.33Å; R98-S102 PolarHBondContact O-N 3.47Å; R98-S102 PolarHBondContact O-OG 2.96Å; R98-I145 HydrophobicContact CB-CG2 4.05Å |
| 99 | M | 93.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.2 | 179.6 | 165.3 | 167.3 | 0 | 0 | 112.3 | F30 H34 L95 L96 K97 S102 L103 Y146 C149 V150 L153 F212 | F30-M99 HydrophobicContact CE2-CE 4.49Å; F30-M99 HydrophobicContact CZ-CE 3.73Å; H34-M99 WeakPolarHBondContact CE1-CE 3.41Å; H34-M99 WeakPolarHBondContact ND1-CE 3.23Å; L95-M99 WeakPolarHBondContact O-CB 3.43Å; L95-M99 PolarHBondContact O-N 3.13Å; L96-M99 PolarHBondContact O-N 3.13Å; K97-M99 VanDerWaalsContact C-N 3.32Å; K97-M99 PolarHBondContact O-N 3.28Å; M99-S102 PolarHBondContact O-N 3.48Å; M99-L103 HydrophobicContact CE-CD1 4.37Å; M99-L103 HydrophobicContact CG-CD1 4.18Å; M99-L103 WeakPolarHBondContact O-CG 3.24Å; M99-L103 PolarHBondContact O-N 2.69Å; M99-Y146 HydrophobicContact CE-CE2 3.82Å; M99-Y146 HydrophobicContact CG-CD2 3.87Å; M99-Y146 HydrophobicContact CG-CE2 3.97Å; M99-Y146 HydrophobicContact SD-CE2 4.31Å; M99-C149 HydrophobicContact CB-CB 4.33Å; M99-V150 HydrophobicContact CE-CG2 4.07Å; M99-V150 HydrophobicContact SD-CG2 4.08Å; M99-L153 HydrophobicContact SD-CD2 4.44Å; M99-F212 HydrophobicContact CE-CB 4.47Å; M99-F212 HydrophobicContact CE-CD2 3.68Å; M99-F212 HydrophobicContact CE-CE2 4.28Å; M99-F212 HydrophobicContact CE-CG 4.35Å; M99-F212 HydrophobicContact CG-CD2 4.38Å; M99-F212 HydrophobicContact CG-CE2 4.26Å; M99-F212 HydrophobicContact SD-CD2 4.08Å; M99-F212 HydrophobicContact SD-CE2 4.07Å |
| 100 | A | 93.8 | Very high | 88.5 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -48 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L96 K97 S102 L103 S104 F212 | L96-A100 PolarHBondContact O-N 2.88Å; K97-A100 PolarHBondContact O-N 3.25Å; A100-S102 VanDerWaalsContact C-N 3.32Å; A100-S102 PolarHBondContact O-N 3.31Å; A100-L103 PolarHBondContact O-N 2.79Å; A100-S104 WeakPolarHBondContact O-CB 3.48Å; A100-S104 PolarHBondContact O-N 2.92Å; A100-S104 PolarHBondContact O-OG 3.3Å; A100-S104 VanDerWaalsContact O-OG 3.14Å; A100-F212 HydrophobicContact CB-CE1 3.76Å; A100-F212 HydrophobicContact CB-CZ 4.26Å |
| 101 | I | 94.6 | Very high | 89.8 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 178.2 | -68 | 166.6 | 0 | 0 | 0 | 110.3 | K97 R98 S104 T105 | K97-I101 HydrophobicContact CG-CD1 4Å; K97-I101 WeakPolarHBondContact O-CG1 3.38Å; K97-I101 PolarHBondContact O-N 3.47Å; R98-I101 PolarHBondContact O-N 2.92Å; I101-S104 PolarHBondContact O-N 3.26Å; I101-T105 PolarHBondContact O-N 3.49Å; I101-T105 PolarHBondContact O-OG1 2.95Å; I101-T105 VanDerWaalsContact O-OG1 3.07Å |
| 102 | S | 96.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | -178.1 | -55.3 | 0 | 0 | 0 | 0 | 112 | R98 M99 A100 S104 T105 M106 A142 I145 | R98-S102 WeakPolarHBondContact O-CB 3.33Å; R98-S102 PolarHBondContact O-N 3.47Å; R98-S102 PolarHBondContact O-OG 2.96Å; M99-S102 PolarHBondContact O-N 3.48Å; A100-S102 VanDerWaalsContact C-N 3.32Å; A100-S102 PolarHBondContact O-N 3.31Å; S102-S104 PolarHBondContact O-N 3.27Å; S102-T105 PolarHBondContact O-N 3.29Å; S102-M106 VanDerWaalsContact O-CG 3.26Å; S102-M106 WeakPolarHBondContact O-CG 3.37Å; S102-M106 PolarHBondContact O-N 2.98Å; S102-A142 WeakPolarHBondContact CB-O 3.44Å; S102-I145 WeakPolarHBondContact OG-CB 3.31Å; S102-I145 WeakPolarHBondContact OG-CG2 3.47Å |
| 103 | L | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.7 | -76.5 | 169.6 | 0 | 0 | 0 | 112 | M99 A100 M106 A107 Y146 I205 C208 L209 | M99-L103 HydrophobicContact CE-CD1 4.37Å; M99-L103 HydrophobicContact CG-CD1 4.18Å; M99-L103 WeakPolarHBondContact O-CG 3.24Å; M99-L103 PolarHBondContact O-N 2.69Å; A100-L103 PolarHBondContact O-N 2.79Å; L103-M106 PolarHBondContact O-N 3.01Å; L103-A107 WeakPolarHBondContact O-CB 3.36Å; L103-A107 PolarHBondContact O-N 2.75Å; L103-Y146 HydrophobicContact CD1-CE2 4.03Å; L103-Y146 HydrophobicContact CD2-CD1 4.24Å; L103-Y146 HydrophobicContact CD2-CD2 4.46Å; L103-Y146 HydrophobicContact CD2-CE1 3.81Å; L103-Y146 HydrophobicContact CD2-CE2 4.06Å; L103-Y146 HydrophobicContact CG-CD2 4.24Å; L103-Y146 HydrophobicContact CG-CE2 4.06Å; L103-I205 HydrophobicContact CD2-CG2 4.27Å; L103-I205 WeakPolarHBondContact O-CG2 3.34Å; L103-C208 HydrophobicContact CD1-CB 4.44Å; L103-C208 HydrophobicContact CD2-CB 3.89Å; L103-L209 HydrophobicContact CB-CD1 3.91Å |
| 104 | S | 96.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 35 Ų | 35 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.9 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | A100 I101 S102 A107 V108 | A100-S104 WeakPolarHBondContact O-CB 3.48Å; A100-S104 PolarHBondContact O-N 2.92Å; A100-S104 PolarHBondContact O-OG 3.3Å; A100-S104 VanDerWaalsContact O-OG 3.14Å; I101-S104 PolarHBondContact O-N 3.26Å; S102-S104 PolarHBondContact O-N 3.27Å; S104-A107 PolarHBondContact O-N 3.47Å; S104-V108 WeakPolarHBondContact O-CG2 3.2Å; S104-V108 PolarHBondContact O-N 3.29Å; S104-V108 VanDerWaalsContact O-N 3.09Å |
| 105 | T | 96.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 34% | 0.344 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | I101 S102 A107 V108 V109 A142 | I101-T105 PolarHBondContact O-N 3.49Å; I101-T105 PolarHBondContact O-OG1 2.95Å; I101-T105 VanDerWaalsContact O-OG1 3.07Å; S102-T105 PolarHBondContact O-N 3.29Å; T105-A107 VanDerWaalsContact C-N 3.31Å; T105-A107 PolarHBondContact O-N 3.46Å; T105-V108 PolarHBondContact O-N 3.16Å; T105-V109 WeakPolarHBondContact O-CG2 3.28Å; T105-V109 PolarHBondContact O-N 2.66Å; T105-V109 VanDerWaalsContact O-N 3.08Å; T105-A142 HydrophobicContact CG2-CB 4.29Å |
| 106 | M | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 177.5 | -67.8 | 170.7 | 70.6 | 0 | 0 | 111.6 | P41 S102 L103 V108 V109 F110 T139 A142 T143 Y146 I205 | P41-M106 HydrophobicContact CG-CE 4.37Å; S102-M106 VanDerWaalsContact O-CG 3.26Å; S102-M106 WeakPolarHBondContact O-CG 3.37Å; S102-M106 PolarHBondContact O-N 2.98Å; L103-M106 PolarHBondContact O-N 3.01Å; M106-V108 PolarHBondContact O-N 3.3Å; M106-V109 PolarHBondContact O-N 2.99Å; M106-F110 WeakPolarHBondContact O-CB 3.22Å; M106-F110 WeakPolarHBondContact O-CD2 3.28Å; M106-F110 PolarHBondContact O-N 3.04Å; M106-T139 HydrophobicContact CG-CG2 4.44Å; M106-A142 HydrophobicContact CG-CB 3.68Å; M106-A142 HydrophobicContact SD-CB 4.28Å; M106-T143 WeakPolarHBondContact CE-OG1 3.32Å; M106-Y146 HydrophobicContact SD-CD1 4.15Å; M106-I205 HydrophobicContact CB-CD1 4Å; M106-I205 HydrophobicContact CB-CG2 4.11Å; M106-I205 HydrophobicContact CE-CD1 4.32Å; M106-I205 HydrophobicContact CE-CG1 4.39Å |
| 107 | A | 97 | Very high | 95 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L103 S104 T105 A111 L202 I205 | L103-A107 WeakPolarHBondContact O-CB 3.36Å; L103-A107 PolarHBondContact O-N 2.75Å; S104-A107 PolarHBondContact O-N 3.47Å; T105-A107 VanDerWaalsContact C-N 3.31Å; T105-A107 PolarHBondContact O-N 3.46Å; A107-A111 WeakPolarHBondContact O-CB 3.45Å; A107-A111 PolarHBondContact O-N 3.48Å; A107-L202 WeakPolarHBondContact O-CD1 3.37Å; A107-I205 HydrophobicContact CB-CG2 3.85Å |
| 108 | V | 96.9 | Very high | 95 | Very high | 100 Ų | 100 | 36.2 Ų | 36.2 | 61% | 0.606 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -63.4 | -46.3 | 178 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | S104 T105 M106 A111 V112 | S104-V108 WeakPolarHBondContact O-CG2 3.2Å; S104-V108 PolarHBondContact O-N 3.29Å; S104-V108 VanDerWaalsContact O-N 3.09Å; T105-V108 PolarHBondContact O-N 3.16Å; M106-V108 PolarHBondContact O-N 3.3Å; V108-A111 PolarHBondContact O-N 3.15Å; V108-V112 PolarHBondContact O-N 2.83Å |
| 109 | V | 96.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | -179 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | T105 M106 A111 V112 T113 A138 T139 | T105-V109 WeakPolarHBondContact O-CG2 3.28Å; T105-V109 PolarHBondContact O-N 2.66Å; T105-V109 VanDerWaalsContact O-N 3.08Å; M106-V109 PolarHBondContact O-N 2.99Å; V109-A111 PolarHBondContact O-N 3.44Å; V109-V112 PolarHBondContact O-N 3.36Å; V109-T113 WeakPolarHBondContact O-CB 3.5Å; V109-T113 PolarHBondContact O-N 3.19Å; V109-T113 PolarHBondContact O-OG1 3.32Å; V109-A138 HydrophobicContact CG2-CB 4.07Å; V109-T139 VanDerWaalsContact CG1-OG1 3.28Å; V109-T139 WeakPolarHBondContact CG1-OG1 3.45Å |
| 110 | F | 95.3 | Very high | 95 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.022 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.9 | -31.7 | 176.6 | -89.6 | -81.8 | 0 | 0 | 0 | 113 | P41 M106 V112 T113 C114 T139 F198 A201 L202 I205 | P41-F110 HydrophobicContact CB-CD2 4.36Å; P41-F110 HydrophobicContact CB-CE1 4.24Å; P41-F110 HydrophobicContact CB-CE2 3.48Å; P41-F110 VanDerWaalsContact CB-CE2 3.48Å; P41-F110 HydrophobicContact CB-CZ 3.43Å; P41-F110 VanDerWaalsContact CB-CZ 3.43Å; P41-F110 WeakPolarHBondContact O-CZ 3.3Å; M106-F110 WeakPolarHBondContact O-CB 3.22Å; M106-F110 WeakPolarHBondContact O-CD2 3.28Å; M106-F110 PolarHBondContact O-N 3.04Å; F110-V112 VanDerWaalsContact C-N 3.32Å; F110-V112 PolarHBondContact O-N 2.93Å; F110-T113 PolarHBondContact O-N 2.99Å; F110-C114 PolarHBondContact O-N 3.5Å; F110-C114 PolarHBondContact O-SG 3.46Å; F110-T139 HydrophobicContact CD2-CG2 4.34Å; F110-T139 HydrophobicContact CE2-CG2 3.54Å; F110-T139 HydrophobicContact CZ-CG2 4.33Å; F110-F198 HydrophobicContact CE1-CD1 4.32Å; F110-A201 HydrophobicContact CD1-CB 3.61Å; F110-A201 HydrophobicContact CE1-CB 3.46Å; F110-A201 VanDerWaalsContact CE1-CB 3.46Å; F110-A201 HydrophobicContact CG-CB 4.37Å; F110-A201 HydrophobicContact CZ-CB 4.1Å; F110-L202 HydrophobicContact CB-CB 4.27Å; F110-L202 HydrophobicContact CB-CD1 4.13Å; F110-I205 HydrophobicContact CB-CD1 4.16Å; F110-I205 HydrophobicContact CD2-CD1 3.28Å; F110-I205 HydrophobicContact CE2-CD1 3.81Å; F110-I205 HydrophobicContact CG-CD1 3.84Å |
| 111 | A | 95.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 42 Ų | 42 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A107 V108 V109 L202 | A107-A111 WeakPolarHBondContact O-CB 3.45Å; A107-A111 PolarHBondContact O-N 3.48Å; V108-A111 PolarHBondContact O-N 3.15Å; V109-A111 PolarHBondContact O-N 3.44Å; A111-L202 HydrophobicContact CB-CD1 4.32Å; A111-L202 HydrophobicContact CB-CD2 4.28Å |
| 112 | V | 94.2 | Very high | 94.7 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 172.6 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | V108 V109 F110 C114 I115 L116 | V108-V112 PolarHBondContact O-N 2.83Å; V109-V112 PolarHBondContact O-N 3.36Å; F110-V112 VanDerWaalsContact C-N 3.32Å; F110-V112 PolarHBondContact O-N 2.93Å; V112-C114 VanDerWaalsContact C-N 3.26Å; V112-C114 PolarHBondContact O-N 3.28Å; V112-I115 PolarHBondContact O-N 3.09Å; V112-L116 PolarHBondContact O-N 2.69Å |
| 113 | T | 94.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -32.7 | -177.9 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | V109 F110 I115 L116 P117 F198 | V109-T113 WeakPolarHBondContact O-CB 3.5Å; V109-T113 PolarHBondContact O-N 3.19Å; V109-T113 PolarHBondContact O-OG1 3.32Å; F110-T113 PolarHBondContact O-N 2.99Å; T113-I115 VanDerWaalsContact C-N 3.26Å; T113-I115 PolarHBondContact O-N 3.25Å; T113-L116 PolarHBondContact O-N 3.2Å; T113-P117 VanDerWaalsContact O-CD 3.22Å; T113-P117 WeakPolarHBondContact O-CD 3.41Å; T113-F198 HydrophobicContact CG2-CD1 3.92Å; T113-F198 HydrophobicContact CG2-CD2 3.87Å; T113-F198 HydrophobicContact CG2-CE1 3.95Å; T113-F198 HydrophobicContact CG2-CE2 3.89Å; T113-F198 HydrophobicContact CG2-CG 3.89Å; T113-F198 HydrophobicContact CG2-CZ 3.95Å; T113-F198 WeakPolarHBondContact O-CD2 3.45Å |
| 114 | C | 94 | Very high | 94.4 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 12% | 0.122 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -27.1 | 174.2 | -74.1 | 0 | 0 | 0 | 0 | 114.1 | F110 V112 F198 S199 | F110-C114 PolarHBondContact O-N 3.5Å; F110-C114 PolarHBondContact O-SG 3.46Å; V112-C114 VanDerWaalsContact C-N 3.26Å; V112-C114 PolarHBondContact O-N 3.28Å; C114-F198 HydrophobicContact CB-CB 4.41Å; C114-F198 VanDerWaalsContact SG-CB 3.58Å; C114-F198 PolarHBondContact SG-O 3.45Å; C114-S199 PolarHBondContact SG-N 3.48Å |
| 115 | I | 93.7 | Very high | 94.3 | Very high | 108 Ų | 108 | 52.4 Ų | 52.4 | 55% | 0.554 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -85.2 | -33.5 | -176.6 | -61.9 | 167 | 0 | 0 | 0 | 110.7 | V112 T113 P117 S118 V119 | V112-I115 PolarHBondContact O-N 3.09Å; T113-I115 VanDerWaalsContact C-N 3.26Å; T113-I115 PolarHBondContact O-N 3.25Å; I115-P117 VanDerWaalsContact C-CD 3.44Å; I115-S118 PolarHBondContact O-N 3.01Å; I115-V119 HydrophobicContact CG2-CG2 4.04Å |
| 116 | L | 94.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -55.3 | -35.7 | -173 | -71.9 | 177.8 | 0 | 0 | 0 | 116 | V112 T113 S118 V119 W124 F128 I131 | V112-L116 PolarHBondContact O-N 2.69Å; T113-L116 PolarHBondContact O-N 3.2Å; L116-S118 PolarHBondContact O-N 3.28Å; L116-V119 PolarHBondContact O-N 3.36Å; L116-W124 HydrophobicContact CD2-CH2 4.48Å; L116-F128 HydrophobicContact CB-CE2 4.14Å; L116-F128 HydrophobicContact CD1-CE2 4.14Å; L116-F128 HydrophobicContact CD2-CD2 4.44Å; L116-F128 HydrophobicContact CD2-CE2 4.45Å; L116-F128 HydrophobicContact CG-CE2 4.48Å; L116-I131 HydrophobicContact CD1-CG2 4.25Å |
| 117 | P | 94 | Very high | 94.1 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.032 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -59.5 | -30 | 175.7 | -27 | 35.4 | 0 | 0 | 0 | 114.2 | Y51 T113 I115 P191 A194 T195 F198 | Y51-P117 HydrophobicContact CE2-CB 3.9Å; Y51-P117 HydrophobicContact CE2-CG 4.24Å; Y51-P117 WeakPolarHBondContact OH-CA 3.04Å; T113-P117 VanDerWaalsContact O-CD 3.22Å; T113-P117 WeakPolarHBondContact O-CD 3.41Å; I115-P117 VanDerWaalsContact C-CD 3.44Å; P117-P191 HydrophobicContact CB-CB 4.3Å; P117-A194 HydrophobicContact CB-CB 4.37Å; P117-A194 HydrophobicContact CG-CB 3.99Å; P117-T195 WeakPolarHBondContact CB-OG1 3.32Å; P117-F198 HydrophobicContact CG-CD2 3.83Å; P117-F198 HydrophobicContact CG-CE2 3.88Å |
| 118 | S | 91 | Very high | 94.1 | Very high | 100 Ų | 100 | 61.5 Ų | 61.5 | 70% | 0.699 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -87.6 | -10.4 | -177.9 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | I115 L116 | I115-S118 PolarHBondContact O-N 3.01Å; L116-S118 PolarHBondContact O-N 3.28Å |
| 119 | V | 93.6 | Very high | 94 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -92.5 | 132.7 | -179.1 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | K56 I115 L116 T121 W124 | K56-V119 PolarHBondContact NZ-O 3.17Å; I115-V119 HydrophobicContact CG2-CG2 4.04Å; L116-V119 PolarHBondContact O-N 3.36Å; V119-T121 HydrophobicContact CG1-CG2 4.29Å; V119-T121 PolarHBondContact O-N 3.47Å; V119-W124 HydrophobicContact CG1-CZ2 3.93Å |
| 120 | D | 92.2 | Very high | 94 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 60% | 0.599 | 32% | 0.321 | S | S | * | . | trans | -72.8 | 121.6 | 169.9 | -170.4 | -1.1 | 0 | 0 | 0 | 110 | T122 W124 | D120-T122 WeakPolarHBondContact OD1-CB 3.4Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.44Å; D120-T122 PolarHBondContact OD1-N 3.45Å; D120-T122 PolarHBondContact OD1-OG1 3.01Å; D120-T122 PolarHBondContact OD2-OG1 3.32Å; D120-W124 PolarHBondContact O-NE1 2.95Å | ||
| 121 | T | 92.1 | Very high | 94 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | trans | -117.5 | 8.2 | -175.5 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | K56 V119 Q123 W124 T125 F128 | K56-T121 WeakPolarHBondContact CD-OG1 3.31Å; K56-T121 PolarHBondContact NZ-OG1 3.48Å; V119-T121 HydrophobicContact CG1-CG2 4.29Å; V119-T121 PolarHBondContact O-N 3.47Å; T121-Q123 PolarHBondContact O-N 3.06Å; T121-W124 HydrophobicContact CG2-CD2 4.37Å; T121-W124 HydrophobicContact CG2-CH2 3.58Å; T121-W124 HydrophobicContact CG2-CZ2 3.31Å; T121-W124 HydrophobicContact CG2-CZ3 4.19Å; T121-W124 CarbonylContact O-C 3.4Å; T121-W124 PolarHBondContact O-N 2.86Å; T121-T125 PolarHBondContact O-N 3.17Å; T121-T125 PolarHBondContact O-OG1 2.79Å; T121-F128 HydrophobicContact CG2-CB 4.23Å; T121-F128 HydrophobicContact CG2-CD2 3.75Å; T121-F128 HydrophobicContact CG2-CE2 4.45Å; T121-F128 HydrophobicContact CG2-CG 4.13Å | ||
| 122 | T | 90.2 | Very high | 94.1 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -57.7 | -33.6 | -176.7 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | D120 T125 | D120-T122 WeakPolarHBondContact OD1-CB 3.4Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.44Å; D120-T122 PolarHBondContact OD1-N 3.45Å; D120-T122 PolarHBondContact OD1-OG1 3.01Å; D120-T122 PolarHBondContact OD2-OG1 3.32Å; T122-T125 PolarHBondContact O-OG1 3.28Å |
| 123 | Q | 92.2 | Very high | 94.2 | Very high | 187 Ų | 187 | 58.6 Ų | 58.6 | 87% | 0.874 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -81.2 | -12.9 | 179.5 | -63.5 | -174.1 | -1.6 | 0 | 0 | 114.2 | T121 | T121-Q123 PolarHBondContact O-N 3.06Š|
| 124 | W | 94.6 | Very high | 94.3 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -141.8 | 41.4 | -171.7 | 57.3 | -84.5 | 0 | 0 | 0 | 111.8 | L116 V119 D120 T121 D126 W127 F128 I131 | L116-W124 HydrophobicContact CD2-CH2 4.48Å; V119-W124 HydrophobicContact CG1-CZ2 3.93Å; D120-W124 PolarHBondContact O-NE1 2.95Å; T121-W124 HydrophobicContact CG2-CD2 4.37Å; T121-W124 HydrophobicContact CG2-CH2 3.58Å; T121-W124 HydrophobicContact CG2-CZ2 3.31Å; T121-W124 HydrophobicContact CG2-CZ3 4.19Å; T121-W124 CarbonylContact O-C 3.4Å; T121-W124 PolarHBondContact O-N 2.86Å; W124-D126 VanDerWaalsContact C-N 3.27Å; W124-D126 PolarHBondContact O-N 3.12Å; W124-W127 HydrophobicContact CB-CB 4.35Å; W124-W127 HydrophobicContact CE3-CB 3.66Å; W124-W127 HydrophobicContact CZ3-CB 4.41Å; W124-W127 PolarHBondContact O-N 3.38Å; W124-F128 HydrophobicContact CE3-CB 3.88Å; W124-F128 HydrophobicContact CH2-CB 4.48Å; W124-F128 HydrophobicContact CZ3-CB 3.71Å; W124-F128 HydrophobicContact CZ3-CD2 4.48Å; W124-F128 PolarHBondContact O-N 2.6Å; W124-I131 HydrophobicContact CZ3-CD1 3.92Å |
| 125 | T | 94.1 | Very high | 94.5 | Very high | 18 Ų | 18 | 62.5 Ų | 62.5 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.2 | -39.2 | -175.2 | -52.1 | 0 | 0 | 0 | 0 | 113.1 | F57 E60 Y63 T121 T122 F128 F129 | F57-T125 HydrophobicContact CD1-CG2 3.56Å; F57-T125 HydrophobicContact CE1-CG2 3.76Å; E60-T125 HydrophobicContact CG-CG2 3.74Å; Y63-T125 HydrophobicContact CD2-CG2 4.35Å; T121-T125 PolarHBondContact O-N 3.17Å; T121-T125 PolarHBondContact O-OG1 2.79Å; T122-T125 PolarHBondContact O-OG1 3.28Å; T125-F128 WeakPolarHBondContact O-CB 3.29Å; T125-F128 PolarHBondContact O-N 2.83Å; T125-F129 PolarHBondContact O-N 3.49Å |
| 126 | D | 94.8 | Very high | 94.6 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.5 | -64 | -29.3 | 0 | 0 | 0 | 112.3 | Y63 W124 F128 F129 V130 | Y63-D126 VanDerWaalsContact CE2-OD1 3.27Å; Y63-D126 WeakPolarHBondContact CE2-OD1 3.4Å; Y63-D126 PolarHBondContact OH-OD1 2.85Å; W124-D126 VanDerWaalsContact C-N 3.27Å; W124-D126 PolarHBondContact O-N 3.12Å; D126-F128 VanDerWaalsContact C-N 3.31Å; D126-F128 PolarHBondContact O-N 3.23Å; D126-F129 WeakPolarHBondContact O-CB 3.01Å; D126-F129 PolarHBondContact O-N 3.46Å; D126-V130 WeakPolarHBondContact O-CG2 3.25Å; D126-V130 PolarHBondContact O-N 3.17Å |
| 127 | W | 95.5 | Very high | 94.8 | Very high | 176 Ų | 176 | 59.4 Ų | 59.4 | 67% | 0.667 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.3 | -36.3 | 177.1 | -77.7 | 114.7 | 0 | 0 | 0 | 111.5 | W124 F129 V130 I131 | W124-W127 HydrophobicContact CB-CB 4.35Å; W124-W127 HydrophobicContact CE3-CB 3.66Å; W124-W127 HydrophobicContact CZ3-CB 4.41Å; W124-W127 PolarHBondContact O-N 3.38Å; W127-F129 VanDerWaalsContact C-N 3.34Å; W127-V130 PolarHBondContact O-N 3.1Å; W127-I131 WeakPolarHBondContact O-CB 3.24Å; W127-I131 VanDerWaalsContact O-CG1 3.24Å; W127-I131 WeakPolarHBondContact O-CG1 3.25Å; W127-I131 PolarHBondContact O-N 2.85Å |
| 128 | F | 96 | Very high | 95 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 173.6 | 172.7 | -100.4 | 0 | 0 | 0 | 111.7 | Y51 Y52 K56 F57 L116 T121 W124 T125 D126 T132 | Y51-F128 HydrophobicContact CE1-CZ 4.33Å; Y52-F128 AromaticContact CD1-CE1 3.96Å; Y52-F128 HydrophobicContact CD1-CE1 3.96Å; Y52-F128 AromaticContact CD1-CZ 3.98Å; Y52-F128 HydrophobicContact CD1-CZ 3.98Å; Y52-F128 HydrophobicContact CE1-CE1 4.11Å; Y52-F128 AromaticContact CE1-CZ 3.72Å; Y52-F128 HydrophobicContact CE1-CZ 3.72Å; K56-F128 HydrophobicContact CB-CD1 4.22Å; K56-F128 HydrophobicContact CB-CE1 3.53Å; K56-F128 HydrophobicContact CB-CZ 4.1Å; K56-F128 HydrophobicContact CD-CE1 4.23Å; K56-F128 HydrophobicContact CD-CZ 4.17Å; K56-F128 HydrophobicContact CG-CE1 3.68Å; K56-F128 HydrophobicContact CG-CZ 3.7Å; F57-F128 AromaticContact CE1-CD1 3.64Å; F57-F128 HydrophobicContact CE1-CD1 3.64Å; F57-F128 HydrophobicContact CE1-CE1 4.05Å; F57-F128 HydrophobicContact CE2-CD1 4.49Å; F57-F128 HydrophobicContact CE2-CE1 4.12Å; F57-F128 AromaticContact CZ-CD1 3.52Å; F57-F128 HydrophobicContact CZ-CD1 3.52Å; F57-F128 AromaticContact CZ-CE1 3.57Å; F57-F128 HydrophobicContact CZ-CE1 3.57Å; L116-F128 HydrophobicContact CB-CE2 4.14Å; L116-F128 HydrophobicContact CD1-CE2 4.14Å; L116-F128 HydrophobicContact CD2-CD2 4.44Å; L116-F128 HydrophobicContact CD2-CE2 4.45Å; L116-F128 HydrophobicContact CG-CE2 4.48Å; T121-F128 HydrophobicContact CG2-CB 4.23Å; T121-F128 HydrophobicContact CG2-CD2 3.75Å; T121-F128 HydrophobicContact CG2-CE2 4.45Å; T121-F128 HydrophobicContact CG2-CG 4.13Å; W124-F128 HydrophobicContact CE3-CB 3.88Å; W124-F128 HydrophobicContact CH2-CB 4.48Å; W124-F128 HydrophobicContact CZ3-CB 3.71Å; W124-F128 HydrophobicContact CZ3-CD2 4.48Å; W124-F128 PolarHBondContact O-N 2.6Å; T125-F128 WeakPolarHBondContact O-CB 3.29Å; T125-F128 PolarHBondContact O-N 2.83Å; D126-F128 VanDerWaalsContact C-N 3.31Å; D126-F128 PolarHBondContact O-N 3.23Å; F128-T132 WeakPolarHBondContact O-CB 3.1Å; F128-T132 PolarHBondContact O-N 2.89Å; F128-T132 PolarHBondContact O-OG1 3.39Å |
| 129 | F | 95.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 173.4 | 179.2 | -92 | 0 | 0 | 0 | 111.3 | F57 Y63 Y70 T125 D126 W127 I131 T132 M133 | F57-F129 HydrophobicContact CE1-CB 3.89Å; F57-F129 HydrophobicContact CE1-CD2 4.24Å; F57-F129 HydrophobicContact CE2-CD2 4.22Å; F57-F129 HydrophobicContact CZ-CB 3.87Å; F57-F129 AromaticContact CZ-CD2 3.77Å; F57-F129 HydrophobicContact CZ-CD2 3.77Å; F57-F129 HydrophobicContact CZ-CG 4.32Å; Y63-F129 AromaticContact CD1-CD2 3.94Å; Y63-F129 HydrophobicContact CD1-CD2 3.94Å; Y63-F129 AromaticContact CD1-CE2 4Å; Y63-F129 HydrophobicContact CD1-CE2 4Å; Y63-F129 HydrophobicContact CD1-CG 4.29Å; Y63-F129 HydrophobicContact CD1-CZ 4.41Å; Y63-F129 HydrophobicContact CD2-CD2 4.48Å; Y63-F129 HydrophobicContact CE1-CD1 4.35Å; Y63-F129 HydrophobicContact CE1-CD2 4.39Å; Y63-F129 HydrophobicContact CE1-CG 4.28Å; Y63-F129 HydrophobicContact CE2-CB 4.4Å; Y63-F129 HydrophobicContact CG-CD2 4Å; Y63-F129 HydrophobicContact CG-CE2 4.38Å; Y63-F129 HydrophobicContact CG-CG 4.47Å; Y70-F129 AromaticContact CD2-CE2 3.71Å; Y70-F129 HydrophobicContact CD2-CE2 3.71Å; Y70-F129 AromaticContact CD2-CZ 3.47Å; Y70-F129 HydrophobicContact CD2-CZ 3.47Å; Y70-F129 VanDerWaalsContact CD2-CZ 3.47Å; Y70-F129 HydrophobicContact CE2-CE2 4.33Å; Y70-F129 AromaticContact CE2-CZ 4Å; Y70-F129 HydrophobicContact CE2-CZ 4Å; Y70-F129 HydrophobicContact CG-CE2 4.38Å; Y70-F129 AromaticContact CG-CZ 3.85Å; Y70-F129 HydrophobicContact CG-CZ 3.85Å; T125-F129 PolarHBondContact O-N 3.49Å; D126-F129 WeakPolarHBondContact O-CB 3.01Å; D126-F129 PolarHBondContact O-N 3.46Å; W127-F129 VanDerWaalsContact C-N 3.34Å; F129-I131 PolarHBondContact O-N 3.17Å; F129-T132 WeakPolarHBondContact O-CB 3.45Å; F129-T132 PolarHBondContact O-N 3.47Å; F129-T132 VanDerWaalsContact O-N 3.16Å; F129-M133 HydrophobicContact CD1-CG 4.12Å; F129-M133 HydrophobicContact CD2-CE 3.99Å; F129-M133 HydrophobicContact CE1-CG 3.7Å; F129-M133 HydrophobicContact CE2-CE 3.52Å; F129-M133 HydrophobicContact CE2-CG 4.22Å; F129-M133 HydrophobicContact CE2-SD 4.41Å; F129-M133 HydrophobicContact CZ-CE 3.89Å; F129-M133 HydrophobicContact CZ-CG 3.74Å; F129-M133 HydrophobicContact CZ-SD 4.18Å; F129-M133 WeakPolarHBondContact O-CG 3.47Å; F129-M133 PolarHBondContact O-N 3.25Å |
| 130 | V | 96.3 | Very high | 95.4 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 178.8 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | D126 W127 T132 M133 V134 | D126-V130 WeakPolarHBondContact O-CG2 3.25Å; D126-V130 PolarHBondContact O-N 3.17Å; W127-V130 PolarHBondContact O-N 3.1Å; V130-T132 VanDerWaalsContact C-N 3.29Å; V130-T132 PolarHBondContact O-N 2.95Å; V130-M133 PolarHBondContact O-N 2.96Å; V130-V134 HydrophobicContact CG1-CG2 4.27Å; V130-V134 WeakPolarHBondContact O-CB 3.39Å; V130-V134 VanDerWaalsContact O-CG2 3.29Å; V130-V134 WeakPolarHBondContact O-CG2 3.48Å; V130-V134 PolarHBondContact O-N 2.94Å |
| 131 | I | 95.9 | Very high | 95.6 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 33% | 0.328 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 177.8 | -70.7 | 172.9 | 0 | 0 | 0 | 110.9 | L116 W124 W127 F129 S135 | L116-I131 HydrophobicContact CD1-CG2 4.25Å; W124-I131 HydrophobicContact CZ3-CD1 3.92Å; W127-I131 WeakPolarHBondContact O-CB 3.24Å; W127-I131 VanDerWaalsContact O-CG1 3.24Å; W127-I131 WeakPolarHBondContact O-CG1 3.25Å; W127-I131 PolarHBondContact O-N 2.85Å; F129-I131 PolarHBondContact O-N 3.17Å; I131-S135 VanDerWaalsContact O-CB 3.28Å; I131-S135 WeakPolarHBondContact O-CB 3.38Å; I131-S135 PolarHBondContact O-N 3.33Å; I131-S135 PolarHBondContact O-OG 2.91Å |
| 132 | T | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 177.5 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | F45 Y52 F67 F128 F129 V130 S135 V136 | F45-T132 HydrophobicContact CZ-CG2 3.96Å; Y52-T132 HydrophobicContact CD1-CG2 4.26Å; Y52-T132 HydrophobicContact CE1-CG2 3.53Å; F67-T132 HydrophobicContact CE2-CG2 4.35Å; F67-T132 HydrophobicContact CZ-CG2 4.48Å; F128-T132 WeakPolarHBondContact O-CB 3.1Å; F128-T132 PolarHBondContact O-N 2.89Å; F128-T132 PolarHBondContact O-OG1 3.39Å; F129-T132 WeakPolarHBondContact O-CB 3.45Å; F129-T132 PolarHBondContact O-N 3.47Å; F129-T132 VanDerWaalsContact O-N 3.16Å; V130-T132 VanDerWaalsContact C-N 3.29Å; V130-T132 PolarHBondContact O-N 2.95Å; T132-S135 WeakPolarHBondContact O-CB 3.41Å; T132-S135 PolarHBondContact O-N 3.48Å; T132-V136 WeakPolarHBondContact O-CG2 3.16Å; T132-V136 PolarHBondContact O-N 3.46Å |
| 133 | M | 97 | Very high | 96.2 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.069 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | -179.8 | -65 | -56.6 | 135.7 | 0 | 0 | 112.2 | F67 V71 C74 F129 V130 S135 V136 V137 | F67-M133 HydrophobicContact CD2-CE 3.9Å; F67-M133 HydrophobicContact CE2-CE 3.55Å; F67-M133 HydrophobicContact CZ-CE 4.47Å; V71-M133 HydrophobicContact CG2-CE 3.74Å; V71-M133 HydrophobicContact CG2-SD 4.24Å; C74-M133 HydrophobicContact CB-SD 4.36Å; F129-M133 HydrophobicContact CD1-CG 4.12Å; F129-M133 HydrophobicContact CD2-CE 3.99Å; F129-M133 HydrophobicContact CE1-CG 3.7Å; F129-M133 HydrophobicContact CE2-CE 3.52Å; F129-M133 HydrophobicContact CE2-CG 4.22Å; F129-M133 HydrophobicContact CE2-SD 4.41Å; F129-M133 HydrophobicContact CZ-CE 3.89Å; F129-M133 HydrophobicContact CZ-CG 3.74Å; F129-M133 HydrophobicContact CZ-SD 4.18Å; F129-M133 WeakPolarHBondContact O-CG 3.47Å; F129-M133 PolarHBondContact O-N 3.25Å; V130-M133 PolarHBondContact O-N 2.96Å; M133-S135 VanDerWaalsContact C-N 3.29Å; M133-S135 PolarHBondContact O-N 3Å; M133-V136 PolarHBondContact O-N 2.94Å; M133-V137 WeakPolarHBondContact O-CG2 3.35Å; M133-V137 PolarHBondContact O-N 2.71Å |
| 134 | V | 97.1 | Very high | 96.3 | Very high | 90 Ų | 90 | 37 Ų | 37 | 55% | 0.545 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 111 | V130 V137 A138 | V130-V134 HydrophobicContact CG1-CG2 4.27Å; V130-V134 WeakPolarHBondContact O-CB 3.39Å; V130-V134 VanDerWaalsContact O-CG2 3.29Å; V130-V134 WeakPolarHBondContact O-CG2 3.48Å; V130-V134 PolarHBondContact O-N 2.94Å; V134-V137 PolarHBondContact O-N 3.19Å; V134-A138 WeakPolarHBondContact O-CB 3.33Å; V134-A138 PolarHBondContact O-N 3.39Å |
| 135 | S | 96.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 176.1 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | I131 T132 M133 T139 | I131-S135 VanDerWaalsContact O-CB 3.28Å; I131-S135 WeakPolarHBondContact O-CB 3.38Å; I131-S135 PolarHBondContact O-N 3.33Å; I131-S135 PolarHBondContact O-OG 2.91Å; T132-S135 WeakPolarHBondContact O-CB 3.41Å; T132-S135 PolarHBondContact O-N 3.48Å; M133-S135 VanDerWaalsContact C-N 3.29Å; M133-S135 PolarHBondContact O-N 3Å; S135-T139 VanDerWaalsContact O-CB 3.24Å; S135-T139 WeakPolarHBondContact O-CB 3.25Å; S135-T139 PolarHBondContact O-N 3.47Å; S135-T139 PolarHBondContact O-OG1 2.92Å |
| 136 | V | 97.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -50.4 | 173.7 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | W42 F45 C74 A75 T132 M133 A138 T139 C140 | W42-V136 HydrophobicContact CZ3-CG1 4.23Å; F45-V136 HydrophobicContact CD1-CG2 4.4Å; F45-V136 HydrophobicContact CE1-CG2 3.53Å; F45-V136 HydrophobicContact CE2-CG2 4.03Å; F45-V136 HydrophobicContact CZ-CG2 3.31Å; C74-V136 HydrophobicContact CB-CB 4.41Å; C74-V136 HydrophobicContact CB-CG1 3.95Å; A75-V136 HydrophobicContact CB-CG1 3.85Å; T132-V136 WeakPolarHBondContact O-CG2 3.16Å; T132-V136 PolarHBondContact O-N 3.46Å; M133-V136 PolarHBondContact O-N 2.94Å; V136-A138 PolarHBondContact O-N 2.9Å; V136-T139 PolarHBondContact O-N 3.12Å; V136-C140 VanDerWaalsContact O-CB 3.3Å; V136-C140 WeakPolarHBondContact O-CB 3.39Å; V136-C140 PolarHBondContact O-N 3.3Å; V136-C140 PolarHBondContact O-SG 3Å; V136-C140 VanDerWaalsContact O-SG 3.34Å |
| 137 | V | 97.9 | Very high | 96.5 | Very high | 52 Ų | 52 | 30.1 Ų | 30.1 | 32% | 0.315 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -57.1 | -48.6 | 179 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | C74 P78 M133 V134 S141 | C74-V137 HydrophobicContact CB-CG2 3.85Å; C74-V137 WeakPolarHBondContact O-CG2 3.21Å; P78-V137 HydrophobicContact CB-CG1 4.14Å; P78-V137 HydrophobicContact CG-CB 4.32Å; P78-V137 HydrophobicContact CG-CG1 3.86Å; P78-V137 HydrophobicContact CG-CG2 4.11Å; M133-V137 WeakPolarHBondContact O-CG2 3.35Å; M133-V137 PolarHBondContact O-N 2.71Å; V134-V137 PolarHBondContact O-N 3.19Å; V137-S141 VanDerWaalsContact O-CB 3.24Å; V137-S141 WeakPolarHBondContact O-CB 3.34Å; V137-S141 PolarHBondContact O-N 3.39Å; V137-S141 PolarHBondContact O-OG 3.28Å |
| 138 | A | 97.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 21.7 Ų | 21.7 | 26% | 0.256 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.3 | -46.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V109 V134 V136 A142 | V109-A138 HydrophobicContact CG2-CB 4.07Å; V134-A138 WeakPolarHBondContact O-CB 3.33Å; V134-A138 PolarHBondContact O-N 3.39Å; V136-A138 PolarHBondContact O-N 2.9Å; A138-A142 WeakPolarHBondContact O-CB 3.5Å; A138-A142 PolarHBondContact O-N 3.32Å |
| 139 | T | 97 | Very high | 96.3 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 7% | 0.074 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.8 | -45.9 | -179.4 | -61 | 0 | 0 | 0 | 0 | 111.7 | M106 V109 F110 S135 V136 A142 T143 | M106-T139 HydrophobicContact CG-CG2 4.44Å; V109-T139 VanDerWaalsContact CG1-OG1 3.28Å; V109-T139 WeakPolarHBondContact CG1-OG1 3.45Å; F110-T139 HydrophobicContact CD2-CG2 4.34Å; F110-T139 HydrophobicContact CE2-CG2 3.54Å; F110-T139 HydrophobicContact CZ-CG2 4.33Å; S135-T139 VanDerWaalsContact O-CB 3.24Å; S135-T139 WeakPolarHBondContact O-CB 3.25Å; S135-T139 PolarHBondContact O-N 3.47Å; S135-T139 PolarHBondContact O-OG1 2.92Å; V136-T139 PolarHBondContact O-N 3.12Å; T139-A142 PolarHBondContact O-N 3.48Å; T139-T143 WeakPolarHBondContact O-CB 3.35Å; T139-T143 PolarHBondContact O-N 2.91Å; T139-T143 PolarHBondContact O-OG1 2.89Å |
| 140 | C | 96.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.5 | -34 | -178.4 | -68.2 | 0 | 0 | 0 | 0 | 112.3 | A75 N79 V136 T143 G144 | A75-C140 VanDerWaalsContact CA-SG 3.58Å; A75-C140 HydrophobicContact CB-CB 4.34Å; A75-C140 VanDerWaalsContact CB-SG 3.51Å; A75-C140 VanDerWaalsContact O-CB 3.31Å; A75-C140 WeakPolarHBondContact O-CB 3.36Å; N79-C140 HydrophobicContact CB-CB 4.29Å; V136-C140 VanDerWaalsContact O-CB 3.3Å; V136-C140 WeakPolarHBondContact O-CB 3.39Å; V136-C140 PolarHBondContact O-N 3.3Å; V136-C140 PolarHBondContact O-SG 3Å; V136-C140 VanDerWaalsContact O-SG 3.34Å; C140-T143 PolarHBondContact O-N 3.08Å; C140-G144 PolarHBondContact O-N 3.48Å |
| 141 | S | 96.7 | Very high | 96.2 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 8% | 0.077 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 170.7 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | P78 F82 V137 T143 G144 I145 | P78-S141 WeakPolarHBondContact CB-OG 3.24Å; F82-S141 VanDerWaalsContact CD2-CB 3.48Å; F82-S141 VanDerWaalsContact CD2-OG 3.3Å; F82-S141 WeakPolarHBondContact CD2-OG 3.21Å; F82-S141 WeakPolarHBondContact CE2-OG 3.38Å; V137-S141 VanDerWaalsContact O-CB 3.24Å; V137-S141 WeakPolarHBondContact O-CB 3.34Å; V137-S141 PolarHBondContact O-N 3.39Å; V137-S141 PolarHBondContact O-OG 3.28Å; S141-T143 VanDerWaalsContact C-N 3.33Å; S141-T143 PolarHBondContact O-N 3.43Å; S141-G144 PolarHBondContact O-N 3.46Å; S141-I145 PolarHBondContact O-N 2.81Å |
| 142 | A | 97 | Very high | 96.1 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 5% | 0.05 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S102 T105 M106 A138 T139 I145 Y146 | S102-A142 WeakPolarHBondContact CB-O 3.44Å; T105-A142 HydrophobicContact CG2-CB 4.29Å; M106-A142 HydrophobicContact CG-CB 3.68Å; M106-A142 HydrophobicContact SD-CB 4.28Å; A138-A142 WeakPolarHBondContact O-CB 3.5Å; A138-A142 PolarHBondContact O-N 3.32Å; T139-A142 PolarHBondContact O-N 3.48Å; A142-I145 PolarHBondContact O-N 3.34Å; A142-Y146 VanDerWaalsContact O-CB 3.22Å; A142-Y146 WeakPolarHBondContact O-CB 3.41Å; A142-Y146 PolarHBondContact O-N 2.9Å |
| 143 | T | 96.4 | Very high | 96 | Very high | 12 Ų | 12 | 14.4 Ų | 14.4 | 7% | 0.074 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | T38 M106 T139 C140 S141 I145 Y146 Q147 | T38-T143 VanDerWaalsContact O-CG2 3.3Å; T38-T143 WeakPolarHBondContact O-CG2 3.22Å; M106-T143 WeakPolarHBondContact CE-OG1 3.32Å; T139-T143 WeakPolarHBondContact O-CB 3.35Å; T139-T143 PolarHBondContact O-N 2.91Å; T139-T143 PolarHBondContact O-OG1 2.89Å; C140-T143 PolarHBondContact O-N 3.08Å; S141-T143 VanDerWaalsContact C-N 3.33Å; S141-T143 PolarHBondContact O-N 3.43Å; T143-I145 VanDerWaalsContact C-N 3.34Å; T143-I145 PolarHBondContact O-N 3.25Å; T143-Y146 PolarHBondContact O-N 3.13Å; T143-Q147 VanDerWaalsContact O-CB 3.25Å; T143-Q147 WeakPolarHBondContact O-CB 3.28Å; T143-Q147 PolarHBondContact O-N 3.24Å |
| 144 | G | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N79 S83 C140 S141 N148 | N79-G144 WeakPolarHBondContact OD1-CA 3.43Å; N79-G144 PolarHBondContact OD1-N 3.04Å; S83-G144 WeakPolarHBondContact OG-CA 3.33Å; S83-G144 PolarHBondContact OG-O 3.1Å; C140-G144 PolarHBondContact O-N 3.48Å; S141-G144 PolarHBondContact O-N 3.46Å; G144-N148 WeakPolarHBondContact O-CB 3.46Å; G144-N148 VanDerWaalsContact O-CG 3.3Å; G144-N148 PolarHBondContact O-N 3.45Å |
| 145 | I | 95.1 | Very high | 95.8 | Very high | 33 Ų | 33 | 9.5 Ų | 9.5 | 17% | 0.169 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.7 | -50.4 | 173.4 | -67.6 | 166.9 | 0 | 0 | 0 | 110.6 | F82 N86 R98 S102 S141 A142 T143 C149 | F82-I145 HydrophobicContact CB-CG1 4.24Å; F82-I145 HydrophobicContact CD1-CD1 3.97Å; N86-I145 HydrophobicContact CB-CG1 4.13Å; N86-I145 PolarHBondContact ND2-O 2.98Å; N86-I145 VanDerWaalsContact ND2-O 3.14Å; N86-I145 WeakPolarHBondContact OD1-CG2 3.36Å; R98-I145 HydrophobicContact CB-CG2 4.05Å; S102-I145 WeakPolarHBondContact OG-CB 3.31Å; S102-I145 WeakPolarHBondContact OG-CG2 3.47Å; S141-I145 PolarHBondContact O-N 2.81Å; A142-I145 PolarHBondContact O-N 3.34Å; T143-I145 VanDerWaalsContact C-N 3.34Å; T143-I145 PolarHBondContact O-N 3.25Å; I145-C149 WeakPolarHBondContact O-CB 3.42Å; I145-C149 PolarHBondContact O-N 2.98Å; I145-C149 PolarHBondContact O-SG 3.45Å |
| 146 | Y | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.3 | -51.6 | -175.9 | 172.5 | -139 | 0 | 0 | 0 | 111.9 | H34 T38 M99 L103 M106 A142 T143 N148 C149 V150 | H34-Y146 WeakPolarHBondContact CA-OH 3.36Å; H34-Y146 WeakPolarHBondContact CB-OH 3.39Å; H34-Y146 VanDerWaalsContact CG-OH 3.3Å; H34-Y146 AromaticContact ND1-CE2 3.56Å; H34-Y146 AromaticContact ND1-CZ 3.57Å; H34-Y146 PolarHBondContact ND1-OH 3.46Å; H34-Y146 PolarHBondContact O-OH 2.81Å; T38-Y146 HydrophobicContact CG2-CD1 3.78Å; T38-Y146 HydrophobicContact CG2-CE1 3.55Å; T38-Y146 HydrophobicContact CG2-CG 4.45Å; M99-Y146 HydrophobicContact CE-CE2 3.82Å; M99-Y146 HydrophobicContact CG-CD2 3.87Å; M99-Y146 HydrophobicContact CG-CE2 3.97Å; M99-Y146 HydrophobicContact SD-CE2 4.31Å; L103-Y146 HydrophobicContact CD1-CE2 4.03Å; L103-Y146 HydrophobicContact CD2-CD1 4.24Å; L103-Y146 HydrophobicContact CD2-CD2 4.46Å; L103-Y146 HydrophobicContact CD2-CE1 3.81Å; L103-Y146 HydrophobicContact CD2-CE2 4.06Å; L103-Y146 HydrophobicContact CG-CD2 4.24Å; L103-Y146 HydrophobicContact CG-CE2 4.06Å; M106-Y146 HydrophobicContact SD-CD1 4.15Å; A142-Y146 VanDerWaalsContact O-CB 3.22Å; A142-Y146 WeakPolarHBondContact O-CB 3.41Å; A142-Y146 PolarHBondContact O-N 2.9Å; T143-Y146 PolarHBondContact O-N 3.13Å; Y146-N148 PolarHBondContact O-N 3.35Å; Y146-C149 PolarHBondContact O-N 3.44Å; Y146-C149 VanDerWaalsContact O-N 3.12Å; Y146-V150 HydrophobicContact CD2-CG2 3.6Å; Y146-V150 HydrophobicContact CE2-CG2 3.19Å; Y146-V150 WeakPolarHBondContact O-CG2 3.41Å; Y146-V150 PolarHBondContact O-N 3.49Å |
| 147 | Q | 95.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 9.8 Ų | 9.8 | 4% | 0.037 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.5 | -49.3 | -179.8 | -174.8 | 178.3 | 43.4 | 0 | 0 | 111.1 | T38 T143 C149 V150 Y151 | T38-Q147 HydrophobicContact CG2-CB 4.09Å; T38-Q147 HydrophobicContact CG2-CG 4.3Å; T143-Q147 VanDerWaalsContact O-CB 3.25Å; T143-Q147 WeakPolarHBondContact O-CB 3.28Å; T143-Q147 PolarHBondContact O-N 3.24Å; Q147-C149 VanDerWaalsContact C-N 3.32Å; Q147-C149 PolarHBondContact O-N 3.32Å; Q147-V150 PolarHBondContact O-N 3.25Å; Q147-Y151 HydrophobicContact CG-CD2 3.89Å; Q147-Y151 HydrophobicContact CG-CE2 3.75Å; Q147-Y151 VanDerWaalsContact O-CD2 3.31Å; Q147-Y151 WeakPolarHBondContact O-CD2 3.43Å; Q147-Y151 PolarHBondContact O-N 3.36Å |
| 148 | N | 93.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 176.5 | -73.6 | 0.8 | 0 | 0 | 0 | 111.2 | S83 N86 T87 G144 Y146 V150 Y151 G152 M409 A412 | S83-N148 VanDerWaalsContact CA-ND2 3.31Å; S83-N148 WeakPolarHBondContact CA-ND2 3.45Å; S83-N148 WeakPolarHBondContact CB-ND2 3.13Å; S83-N148 PolarHBondContact O-ND2 3.03Å; N86-N148 WeakPolarHBondContact ND2-CB 3.28Å; T87-N148 PolarHBondContact OG1-ND2 3.17Å; T87-N148 VanDerWaalsContact OG1-ND2 3.1Å; G144-N148 WeakPolarHBondContact O-CB 3.46Å; G144-N148 VanDerWaalsContact O-CG 3.3Å; G144-N148 PolarHBondContact O-N 3.45Å; Y146-N148 PolarHBondContact O-N 3.35Å; N148-V150 PolarHBondContact O-N 2.86Å; N148-Y151 PolarHBondContact O-N 3.2Å; N148-G152 PolarHBondContact O-N 3.31Å; N148-M409 HydrophobicContact CB-CE 4.36Å; N148-M409 HydrophobicContact CB-CG 4.47Å; N148-M409 VanDerWaalsContact O-CG 3.28Å; N148-M409 WeakPolarHBondContact O-CG 3.22Å; N148-A412 WeakPolarHBondContact OD1-CB 3.18Å |
| 149 | C | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 179.1 | -74.2 | 0 | 0 | 0 | 0 | 113 | M99 I145 Y146 Q147 G152 L153 | M99-C149 HydrophobicContact CB-CB 4.33Å; I145-C149 WeakPolarHBondContact O-CB 3.42Å; I145-C149 PolarHBondContact O-N 2.98Å; I145-C149 PolarHBondContact O-SG 3.45Å; Y146-C149 PolarHBondContact O-N 3.44Å; Y146-C149 VanDerWaalsContact O-N 3.12Å; Q147-C149 VanDerWaalsContact C-N 3.32Å; Q147-C149 PolarHBondContact O-N 3.32Å; C149-G152 PolarHBondContact O-N 2.95Å; C149-L153 VanDerWaalsContact O-CB 3.26Å; C149-L153 WeakPolarHBondContact O-CB 3.35Å; C149-L153 PolarHBondContact O-N 3.11Å |
| 150 | V | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | F31 H34 M99 Y146 Q147 N148 L153 A154 V165 | F31-V150 HydrophobicContact CD1-CG1 4.39Å; H34-V150 HydrophobicContact CB-CG1 4.08Å; H34-V150 HydrophobicContact CB-CG2 4.21Å; M99-V150 HydrophobicContact CE-CG2 4.07Å; M99-V150 HydrophobicContact SD-CG2 4.08Å; Y146-V150 HydrophobicContact CD2-CG2 3.6Å; Y146-V150 HydrophobicContact CE2-CG2 3.19Å; Y146-V150 WeakPolarHBondContact O-CG2 3.41Å; Y146-V150 PolarHBondContact O-N 3.49Å; Q147-V150 PolarHBondContact O-N 3.25Å; N148-V150 PolarHBondContact O-N 2.86Å; V150-L153 PolarHBondContact O-N 2.93Å; V150-A154 WeakPolarHBondContact O-CB 3.46Å; V150-A154 PolarHBondContact O-N 2.89Å; V150-V165 HydrophobicContact CG1-CB 4.39Å; V150-V165 HydrophobicContact CG1-CG1 3.73Å; V150-V165 HydrophobicContact CG1-CG2 3.67Å |
| 151 | Y | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 14 Ų | 14 | 2% | 0.02 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 175.9 | -80.6 | -68.1 | 0 | 0 | 0 | 112.1 | Q147 N148 L153 A154 A155 V165 V166 M392 A408 A412 | Q147-Y151 HydrophobicContact CG-CD2 3.89Å; Q147-Y151 HydrophobicContact CG-CE2 3.75Å; Q147-Y151 VanDerWaalsContact O-CD2 3.31Å; Q147-Y151 WeakPolarHBondContact O-CD2 3.43Å; Q147-Y151 PolarHBondContact O-N 3.36Å; N148-Y151 PolarHBondContact O-N 3.2Å; Y151-L153 VanDerWaalsContact C-N 3.33Å; Y151-L153 PolarHBondContact O-N 3.1Å; Y151-A154 PolarHBondContact O-N 2.95Å; Y151-A155 PolarHBondContact O-N 2.75Å; Y151-A155 VanDerWaalsContact O-N 3.16Å; Y151-V165 HydrophobicContact CD1-CB 4.4Å; Y151-V165 HydrophobicContact CD1-CG1 4.13Å; Y151-V165 HydrophobicContact CD2-CG1 4.49Å; Y151-V165 HydrophobicContact CE1-CB 3.96Å; Y151-V165 HydrophobicContact CE1-CG1 3.67Å; Y151-V165 HydrophobicContact CE2-CG1 4.08Å; Y151-V166 HydrophobicContact CE1-CG2 3.98Å; Y151-M392 HydrophobicContact CD1-CE 4.49Å; Y151-M392 HydrophobicContact CD1-SD 4.14Å; Y151-M392 HydrophobicContact CE1-CE 4.08Å; Y151-M392 HydrophobicContact CE1-CG 4.12Å; Y151-M392 HydrophobicContact CE1-SD 3.99Å; Y151-M392 HydrophobicContact CE2-CE 4.4Å; Y151-A408 WeakPolarHBondContact O-CB 3.29Å; Y151-A412 HydrophobicContact CD2-CB 3.58Å; Y151-A412 HydrophobicContact CE2-CB 4.29Å; Y151-A412 HydrophobicContact CG-CB 4.16Å |
| 152 | G | 93.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | N148 C149 A155 R405 | N148-G152 PolarHBondContact O-N 3.31Å; C149-G152 PolarHBondContact O-N 2.95Å; G152-A155 VanDerWaalsContact O-CB 3.27Å; G152-A155 WeakPolarHBondContact O-CB 3.44Å; G152-A155 PolarHBondContact O-N 2.7Å; G152-R405 WeakPolarHBondContact O-CG 3.38Å |
| 153 | L | 93.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 178.3 | -176.7 | 63.5 | 0 | 0 | 0 | 112.4 | F30 F31 L96 M99 C149 V150 Y151 A155 D156 F157 F221 Y225 | F30-L153 HydrophobicContact CE1-CD2 4.44Å; F31-L153 HydrophobicContact CE1-CB 4.28Å; F31-L153 HydrophobicContact CE1-CD2 4.24Å; F31-L153 HydrophobicContact CE1-CG 4.05Å; F31-L153 HydrophobicContact CZ-CD2 4.36Å; F31-L153 HydrophobicContact CZ-CG 3.98Å; L96-L153 HydrophobicContact CD2-CD1 4.2Å; L96-L153 HydrophobicContact CD2-CD2 3.92Å; M99-L153 HydrophobicContact SD-CD2 4.44Å; C149-L153 VanDerWaalsContact O-CB 3.26Å; C149-L153 WeakPolarHBondContact O-CB 3.35Å; C149-L153 PolarHBondContact O-N 3.11Å; V150-L153 PolarHBondContact O-N 2.93Å; Y151-L153 VanDerWaalsContact C-N 3.33Å; Y151-L153 PolarHBondContact O-N 3.1Å; L153-A155 PolarHBondContact O-N 2.89Å; L153-D156 WeakPolarHBondContact O-CB 3.27Å; L153-D156 PolarHBondContact O-N 3.29Å; L153-F157 WeakPolarHBondContact O-CD2 3.31Å; L153-F221 HydrophobicContact CD1-CE2 4.07Å; L153-F221 HydrophobicContact CD1-CZ 3.94Å; L153-F221 HydrophobicContact CD2-CE2 3.9Å; L153-F221 HydrophobicContact CD2-CZ 3.88Å; L153-F221 HydrophobicContact CG-CE2 4.17Å; L153-F221 HydrophobicContact CG-CZ 4.34Å; L153-Y225 HydrophobicContact CD1-CD2 3.53Å; L153-Y225 HydrophobicContact CD1-CE2 3.78Å |
| 154 | A | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.4 | -29.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F31 V150 Y151 D156 F157 V165 | F31-A154 HydrophobicContact CD1-CB 3.8Å; F31-A154 VanDerWaalsContact CE1-CA 3.44Å; F31-A154 HydrophobicContact CE1-CB 3.6Å; F31-A154 HydrophobicContact CZ-CB 4.16Å; V150-A154 WeakPolarHBondContact O-CB 3.46Å; V150-A154 PolarHBondContact O-N 2.89Å; Y151-A154 PolarHBondContact O-N 2.95Å; A154-D156 PolarHBondContact O-N 2.99Å; A154-F157 PolarHBondContact O-N 2.66Å; A154-F157 VanDerWaalsContact O-N 3.09Å; A154-V165 HydrophobicContact CB-CG2 3.97Å |
| 155 | A | 93.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 2% | 0.017 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y151 G152 L153 F157 P396 S404 A408 | Y151-A155 PolarHBondContact O-N 2.75Å; Y151-A155 VanDerWaalsContact O-N 3.16Å; G152-A155 VanDerWaalsContact O-CB 3.27Å; G152-A155 WeakPolarHBondContact O-CB 3.44Å; G152-A155 PolarHBondContact O-N 2.7Å; L153-A155 PolarHBondContact O-N 2.89Å; A155-F157 VanDerWaalsContact C-N 3.26Å; A155-F157 PolarHBondContact O-N 3.49Å; A155-P396 HydrophobicContact CB-CB 3.99Å; A155-P396 HydrophobicContact CB-CG 4.3Å; A155-S404 WeakPolarHBondContact CB-OG 3.4Å; A155-S404 PolarHBondContact O-OG 3.29Å; A155-S404 VanDerWaalsContact O-OG 3.07Å; A155-A408 HydrophobicContact CB-CB 3.63Å |
| 156 | D | 90.7 | Very high | 94.6 | Very high | 23 Ų | 23 | 11.3 Ų | 11.3 | 12% | 0.123 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -22.3 | 175.2 | -64 | -20.2 | 0 | 0 | 0 | 112.6 | L153 A154 A228 R405 | L153-D156 WeakPolarHBondContact O-CB 3.27Å; L153-D156 PolarHBondContact O-N 3.29Å; A154-D156 PolarHBondContact O-N 2.99Å; D156-A228 HydrophobicContact CB-CB 3.88Å; D156-A228 VanDerWaalsContact CG-CB 3.44Å; D156-A228 WeakPolarHBondContact OD1-CB 3.32Å; D156-R405 VanDerWaalsContact CG-NE 3.26Å; D156-R405 WeakPolarHBondContact OD1-CG 3.42Å; D156-R405 IonicContact OD1-CZ 3.58Å; D156-R405 IonicContact OD1-NE 2.79Å; D156-R405 PolarHBondContact OD1-NE 3.45Å; D156-R405 IonicContact OD1-NH2 3.6Å; D156-R405 IonicContact OD2-CZ 3.26Å; D156-R405 VanDerWaalsContact OD2-CZ 3.26Å; D156-R405 IonicContact OD2-NE 2.96Å; D156-R405 PolarHBondContact OD2-NE 2.91Å; D156-R405 IonicContact OD2-NH2 2.69Å; D156-R405 PolarHBondContact OD2-NH2 3.16Å |
| 157 | F | 92.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -104.3 | 164.1 | -177 | -63.9 | -93.6 | 0 | 0 | 0 | 110.1 | V27 F31 L153 A154 A155 Y161 Y220 F221 N224 R397 | V27-F157 HydrophobicContact CG1-CD1 4.24Å; V27-F157 HydrophobicContact CG1-CE1 4.03Å; V27-F157 HydrophobicContact CG1-CZ 4.42Å; F31-F157 AromaticContact CE2-CD2 3.66Å; F31-F157 HydrophobicContact CE2-CD2 3.66Å; F31-F157 AromaticContact CE2-CE2 3.95Å; F31-F157 HydrophobicContact CE2-CE2 3.95Å; F31-F157 HydrophobicContact CE2-CG 4.06Å; F31-F157 AromaticContact CZ-CD2 3.61Å; F31-F157 HydrophobicContact CZ-CD2 3.61Å; F31-F157 AromaticContact CZ-CE2 3.79Å; F31-F157 HydrophobicContact CZ-CE2 3.79Å; F31-F157 HydrophobicContact CZ-CG 4.44Å; L153-F157 WeakPolarHBondContact O-CD2 3.31Å; A154-F157 PolarHBondContact O-N 2.66Å; A154-F157 VanDerWaalsContact O-N 3.09Å; A155-F157 VanDerWaalsContact C-N 3.26Å; A155-F157 PolarHBondContact O-N 3.49Å; F157-Y161 HydrophobicContact CB-CD1 4.49Å; F157-Y161 HydrophobicContact CB-CD2 3.38Å; F157-Y161 HydrophobicContact CB-CE2 4.04Å; F157-Y161 HydrophobicContact CB-CG 3.63Å; F157-Y161 HydrophobicContact CG-CD2 4.34Å; F157-Y161 HydrophobicContact CG-CG 4.39Å; F157-Y220 AromaticContact CD1-CE1 3.83Å; F157-Y220 HydrophobicContact CD1-CE1 3.83Å; F157-Y220 HydrophobicContact CE1-CD1 4.35Å; F157-Y220 AromaticContact CE1-CE1 3.94Å; F157-Y220 HydrophobicContact CE1-CE1 3.94Å; F157-F221 HydrophobicContact CE1-CD2 4.21Å; F157-F221 AromaticContact CE2-CD2 3.95Å; F157-F221 HydrophobicContact CE2-CD2 3.95Å; F157-F221 AromaticContact CE2-CE2 3.88Å; F157-F221 HydrophobicContact CE2-CE2 3.88Å; F157-F221 AromaticContact CZ-CD2 3.35Å; F157-F221 HydrophobicContact CZ-CD2 3.35Å; F157-F221 AromaticContact CZ-CE2 3.75Å; F157-F221 HydrophobicContact CZ-CE2 3.75Å; F157-F221 HydrophobicContact CZ-CG 4.18Å; F157-N224 HydrophobicContact CD1-CB 4.02Å; F157-N224 HydrophobicContact CE1-CB 3.54Å; F157-N224 HydrophobicContact CZ-CB 3.95Å; F157-R397 PolarHBondContact O-NH2 3.26Å |
| 158 | P | 91.4 | Very high | 94.8 | Very high | 41 Ų | 41 | 11.1 Ų | 11.1 | 27% | 0.266 | 6% | 0.056 | S | C | . | . | trans | -49.3 | 157.5 | 174.8 | -29.7 | 34.5 | 0 | 0 | 0 | 115 | K160 Y161 R397 | P158-K160 HydrophobicContact CB-CG 4.49Å; P158-K160 PolarHBondContact O-N 3.44Å; P158-Y161 HydrophobicContact CB-CD2 4.13Å; P158-Y161 HydrophobicContact CB-CE2 4.24Å; P158-Y161 HydrophobicContact CG-CD2 4.34Å; P158-Y161 HydrophobicContact CG-CE2 4.12Å; P158-Y161 VanDerWaalsContact O-CD2 3.29Å; P158-Y161 WeakPolarHBondContact O-CD2 3.4Å; P158-Y161 PolarHBondContact O-N 3.43Å; P158-R397 VanDerWaalsContact C-NH2 3.25Å | ||
| 159 | M | 92.4 | Very high | 95 | Very high | 59 Ų | 59 | 11.4 Ų | 11.4 | 29% | 0.291 | 6% | 0.058 | S | C | . | . | H | α-helix | trans | -51.1 | -32.7 | -173.3 | -65.9 | -179.3 | -113 | 0 | 0 | 114.7 | Y161 S162 N163 M393 R397 | M159-Y161 PolarHBondContact O-N 3.37Å; M159-Y161 VanDerWaalsContact O-N 3.1Å; M159-S162 PolarHBondContact O-N 2.91Å; M159-S162 VanDerWaalsContact O-N 3.17Å; M159-N163 PolarHBondContact O-N 2.91Å; M159-N163 VanDerWaalsContact O-N 3.17Å; M159-M393 HydrophobicContact CB-CB 4.14Å; M159-M393 HydrophobicContact CB-CG 4.17Å; M159-M393 WeakPolarHBondContact CG-O 3.32Å; M159-R397 HydrophobicContact CE-CG 4.05Å; M159-R397 HydrophobicContact CG-CG 3.63Å; M159-R397 VanDerWaalsContact N-NH2 3.17Å; M159-R397 HydrophobicContact SD-CG 3.75Å |
| 160 | K | 93.7 | Very high | 95.1 | Very high | 91 Ų | 91 | 12.7 Ų | 12.7 | 40% | 0.396 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -55.5 | -28.7 | 178.4 | 70.3 | 175.8 | -173 | 168.4 | 0 | 113.5 | Y28 P158 N163 A164 | Y28-K160 HydrophobicContact CD2-CG 4.48Å; Y28-K160 WeakPolarHBondContact CE2-O 3.31Å; P158-K160 HydrophobicContact CB-CG 4.49Å; P158-K160 PolarHBondContact O-N 3.44Å; K160-N163 PolarHBondContact O-N 3.47Å; K160-A164 PolarHBondContact O-N 3.45Å |
| 161 | Y | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -78.6 | -36.7 | -178.7 | -64.9 | -81.6 | 0 | 0 | 0 | 112.3 | D22 V27 Y28 F31 F157 P158 M159 N163 A164 V165 Y220 | D22-Y161 WeakPolarHBondContact CB-OH 3.45Å; D22-Y161 VanDerWaalsContact CG-OH 3.29Å; D22-Y161 WeakPolarHBondContact OD2-CE1 3.18Å; D22-Y161 PolarHBondContact OD2-OH 3.39Å; V27-Y161 HydrophobicContact CB-CE1 3.97Å; V27-Y161 HydrophobicContact CG1-CD1 4.12Å; V27-Y161 HydrophobicContact CG1-CE1 3.78Å; Y28-Y161 HydrophobicContact CD2-CD1 4.41Å; F31-Y161 AromaticContact CD2-CD1 3.59Å; F31-Y161 HydrophobicContact CD2-CD1 3.59Å; F31-Y161 HydrophobicContact CD2-CG 4.14Å; F31-Y161 HydrophobicContact CE2-CD1 4.06Å; F31-Y161 HydrophobicContact CE2-CG 4.38Å; F157-Y161 HydrophobicContact CB-CD1 4.49Å; F157-Y161 HydrophobicContact CB-CD2 3.38Å; F157-Y161 HydrophobicContact CB-CE2 4.04Å; F157-Y161 HydrophobicContact CB-CG 3.63Å; F157-Y161 HydrophobicContact CG-CD2 4.34Å; F157-Y161 HydrophobicContact CG-CG 4.39Å; P158-Y161 HydrophobicContact CB-CD2 4.13Å; P158-Y161 HydrophobicContact CB-CE2 4.24Å; P158-Y161 HydrophobicContact CG-CD2 4.34Å; P158-Y161 HydrophobicContact CG-CE2 4.12Å; P158-Y161 VanDerWaalsContact O-CD2 3.29Å; P158-Y161 WeakPolarHBondContact O-CD2 3.4Å; P158-Y161 PolarHBondContact O-N 3.43Å; M159-Y161 PolarHBondContact O-N 3.37Å; M159-Y161 VanDerWaalsContact O-N 3.1Å; Y161-N163 VanDerWaalsContact C-N 3.28Å; Y161-N163 PolarHBondContact O-N 2.99Å; Y161-A164 WeakPolarHBondContact O-CB 3.49Å; Y161-A164 PolarHBondContact O-N 3.5Å; Y161-V165 PolarHBondContact O-N 2.99Å; Y161-Y220 HydrophobicContact CE2-CE1 4.48Å; Y161-Y220 AromaticContact CZ-CE1 3.92Å; Y161-Y220 WeakPolarHBondContact OH-CE1 3.27Å |
| 162 | S | 95.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 168.7 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | M159 A164 V165 V166 M392 | M159-S162 PolarHBondContact O-N 2.91Å; M159-S162 VanDerWaalsContact O-N 3.17Å; S162-A164 VanDerWaalsContact C-N 3.33Å; S162-A164 PolarHBondContact O-N 3.42Å; S162-V165 PolarHBondContact O-N 3.43Å; S162-V166 PolarHBondContact O-N 3.34Å; S162-M392 WeakPolarHBondContact CB-O 3.49Å |
| 163 | N | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.6 | -35.7 | 174.5 | -161.8 | 31.7 | 0 | 0 | 0 | 112.8 | M159 K160 Y161 V165 V166 I167 N323 S327 S389 M393 | M159-N163 PolarHBondContact O-N 2.91Å; M159-N163 VanDerWaalsContact O-N 3.17Å; K160-N163 PolarHBondContact O-N 3.47Å; Y161-N163 VanDerWaalsContact C-N 3.28Å; Y161-N163 PolarHBondContact O-N 2.99Å; N163-V165 VanDerWaalsContact C-N 3.27Å; N163-V165 PolarHBondContact O-N 3.49Å; N163-V166 PolarHBondContact O-N 3.08Å; N163-V166 VanDerWaalsContact O-N 3.13Å; N163-I167 WeakPolarHBondContact O-CG1 3.24Å; N163-I167 PolarHBondContact O-N 3.41Å; N163-N323 PolarHBondContact ND2-O 3.35Å; N163-S327 PolarHBondContact ND2-OG 2.95Å; N163-S389 WeakPolarHBondContact OD1-CB 3.24Å; N163-S389 PolarHBondContact OD1-OG 3.32Å; N163-M393 HydrophobicContact CB-CE 4.34Å; N163-M393 HydrophobicContact CB-CG 3.78Å; N163-M393 HydrophobicContact CB-SD 3.73Å |
| 164 | A | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.4 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y28 F31 L32 K160 Y161 S162 I167 G168 | Y28-A164 HydrophobicContact CD2-CB 3.76Å; Y28-A164 HydrophobicContact CE1-CB 4.36Å; Y28-A164 HydrophobicContact CE2-CB 3.53Å; Y28-A164 HydrophobicContact CG-CB 4.29Å; F31-A164 HydrophobicContact CB-CB 3.91Å; L32-A164 WeakPolarHBondContact CA-O 3.39Å; L32-A164 HydrophobicContact CB-CB 4.37Å; K160-A164 PolarHBondContact O-N 3.45Å; Y161-A164 WeakPolarHBondContact O-CB 3.49Å; Y161-A164 PolarHBondContact O-N 3.5Å; S162-A164 VanDerWaalsContact C-N 3.33Å; S162-A164 PolarHBondContact O-N 3.42Å; A164-I167 PolarHBondContact O-N 3.41Å; A164-G168 PolarHBondContact O-N 2.95Å |
| 165 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | F31 G35 V150 Y151 A154 Y161 S162 N163 I167 G168 S169 | F31-V165 HydrophobicContact CB-CG2 3.91Å; F31-V165 HydrophobicContact CD1-CG2 3.76Å; F31-V165 HydrophobicContact CG-CG2 4.24Å; F31-V165 WeakPolarHBondContact O-CA 3.4Å; G35-V165 VanDerWaalsContact CA-O 3.25Å; G35-V165 WeakPolarHBondContact CA-O 3.37Å; V150-V165 HydrophobicContact CG1-CB 4.39Å; V150-V165 HydrophobicContact CG1-CG1 3.73Å; V150-V165 HydrophobicContact CG1-CG2 3.67Å; Y151-V165 HydrophobicContact CD1-CB 4.4Å; Y151-V165 HydrophobicContact CD1-CG1 4.13Å; Y151-V165 HydrophobicContact CD2-CG1 4.49Å; Y151-V165 HydrophobicContact CE1-CB 3.96Å; Y151-V165 HydrophobicContact CE1-CG1 3.67Å; Y151-V165 HydrophobicContact CE2-CG1 4.08Å; A154-V165 HydrophobicContact CB-CG2 3.97Å; Y161-V165 PolarHBondContact O-N 2.99Å; S162-V165 PolarHBondContact O-N 3.43Å; N163-V165 VanDerWaalsContact C-N 3.27Å; N163-V165 PolarHBondContact O-N 3.49Å; V165-I167 PolarHBondContact O-N 2.79Å; V165-G168 PolarHBondContact O-N 3.35Å; V165-S169 PolarHBondContact O-N 3.48Å; V165-S169 PolarHBondContact O-OG 2.88Å |
| 166 | V | 97.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 179.3 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | Y151 S162 N163 G168 S169 N170 N323 T388 M392 | Y151-V166 HydrophobicContact CE1-CG2 3.98Å; S162-V166 PolarHBondContact O-N 3.34Å; N163-V166 PolarHBondContact O-N 3.08Å; N163-V166 VanDerWaalsContact O-N 3.13Å; V166-G168 VanDerWaalsContact C-N 3.34Å; V166-G168 PolarHBondContact O-N 3.13Å; V166-S169 WeakPolarHBondContact O-CB 3.37Å; V166-S169 PolarHBondContact O-N 2.88Å; V166-N170 PolarHBondContact O-N 2.89Å; V166-N323 WeakPolarHBondContact CG1-ND2 3.43Å; V166-T388 HydrophobicContact CG1-CG2 3.64Å; V166-T388 HydrophobicContact CG2-CG2 4.36Å; V166-M392 HydrophobicContact CG2-CB 3.7Å; V166-M392 HydrophobicContact CG2-CG 3.69Å |
| 167 | I | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.3 | -49.1 | 175.6 | -69.6 | 164 | 0 | 0 | 0 | 109.6 | Y28 L32 N163 A164 V165 S169 N170 V171 N323 L324 | Y28-I167 WeakPolarHBondContact OH-CD1 3.36Å; L32-I167 HydrophobicContact CD1-CG2 4.06Å; N163-I167 WeakPolarHBondContact O-CG1 3.24Å; N163-I167 PolarHBondContact O-N 3.41Å; A164-I167 PolarHBondContact O-N 3.41Å; V165-I167 PolarHBondContact O-N 2.79Å; I167-S169 VanDerWaalsContact C-N 3.3Å; I167-S169 PolarHBondContact O-N 3.3Å; I167-N170 PolarHBondContact O-N 3.36Å; I167-V171 HydrophobicContact CG2-CG2 4.03Å; I167-V171 WeakPolarHBondContact O-CB 3.21Å; I167-V171 VanDerWaalsContact O-CG2 3.25Å; I167-V171 WeakPolarHBondContact O-CG2 3.33Å; I167-V171 PolarHBondContact O-N 3.48Å; I167-N323 HydrophobicContact CG1-CB 3.53Å; I167-L324 HydrophobicContact CD1-CD2 4.26Å |
| 168 | G | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L32 V36 A164 V165 V166 N170 V171 S172 | L32-G168 VanDerWaalsContact O-CA 3.27Å; L32-G168 WeakPolarHBondContact O-CA 3.3Å; V36-G168 WeakPolarHBondContact CA-O 3.48Å; V36-G168 VanDerWaalsContact CG2-O 3.26Å; V36-G168 WeakPolarHBondContact CG2-O 3.35Å; V36-G168 VanDerWaalsContact N-C 3.33Å; V36-G168 PolarHBondContact N-O 3.4Å; A164-G168 PolarHBondContact O-N 2.95Å; V165-G168 PolarHBondContact O-N 3.35Å; V166-G168 VanDerWaalsContact C-N 3.34Å; V166-G168 PolarHBondContact O-N 3.13Å; G168-N170 PolarHBondContact O-N 3.22Å; G168-V171 PolarHBondContact O-N 2.85Å; G168-S172 PolarHBondContact O-N 3.37Å |
| 169 | S | 97.2 | Very high | 96.4 | Very high | 7 Ų | 7 | 21 Ų | 21 | 5% | 0.049 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.8 | -45.7 | 176.3 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | G35 T38 V165 V166 I167 S172 | G35-S169 VanDerWaalsContact C-N 3.33Å; G35-S169 WeakPolarHBondContact O-CA 3.49Å; G35-S169 PolarHBondContact O-N 2.98Å; G35-S169 PolarHBondContact O-OG 3.39Å; T38-S169 PolarHBondContact OG1-OG 2.96Å; V165-S169 PolarHBondContact O-N 3.48Å; V165-S169 PolarHBondContact O-OG 2.88Å; V166-S169 WeakPolarHBondContact O-CB 3.37Å; V166-S169 PolarHBondContact O-N 2.88Å; I167-S169 VanDerWaalsContact C-N 3.3Å; I167-S169 PolarHBondContact O-N 3.3Å; S169-S172 WeakPolarHBondContact O-CB 3.3Å; S169-S172 PolarHBondContact O-N 3.39Å; S169-S172 PolarHBondContact O-OG 3.19Å |
| 170 | N | 96.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 21.7 Ų | 21.7 | 14% | 0.139 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -76.7 | -32.2 | 177.8 | -71.9 | -44.2 | 0 | 0 | 0 | 113.4 | V166 I167 G168 S172 G173 L174 A319 V320 N323 | V166-N170 PolarHBondContact O-N 2.89Å; I167-N170 PolarHBondContact O-N 3.36Å; G168-N170 PolarHBondContact O-N 3.22Å; N170-S172 PolarHBondContact O-N 3.32Å; N170-G173 PolarHBondContact O-N 3.02Å; N170-G173 VanDerWaalsContact O-N 3.07Å; N170-L174 PolarHBondContact O-N 3.05Å; N170-L174 VanDerWaalsContact O-N 3.15Å; N170-A319 HydrophobicContact CB-CB 4.39Å; N170-V320 HydrophobicContact CB-CG2 3.89Å; N170-N323 VanDerWaalsContact CB-OD1 3.3Å; N170-N323 WeakPolarHBondContact CB-OD1 3.24Å; N170-N323 PolarHBondContact ND2-ND2 3.1Å; N170-N323 PolarHBondContact ND2-OD1 3.41Å |
| 171 | V | 97.9 | Very high | 96.3 | Very high | 35 Ų | 35 | 19.7 Ų | 19.7 | 21% | 0.212 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -35 | 171.8 | 166.3 | 0 | 0 | 0 | 0 | 110.7 | V36 I167 G168 G173 L174 I175 V320 | V36-V171 HydrophobicContact CG2-CB 4.45Å; V36-V171 HydrophobicContact CG2-CG1 4.25Å; I167-V171 HydrophobicContact CG2-CG2 4.03Å; I167-V171 WeakPolarHBondContact O-CB 3.21Å; I167-V171 VanDerWaalsContact O-CG2 3.25Å; I167-V171 WeakPolarHBondContact O-CG2 3.33Å; I167-V171 PolarHBondContact O-N 3.48Å; G168-V171 PolarHBondContact O-N 2.85Å; V171-G173 VanDerWaalsContact C-N 3.29Å; V171-G173 PolarHBondContact O-N 2.95Å; V171-L174 WeakPolarHBondContact O-CB 3.33Å; V171-L174 PolarHBondContact O-N 3Å; V171-L174 VanDerWaalsContact O-N 3.15Å; V171-I175 HydrophobicContact CG1-CD1 3.93Å; V171-I175 HydrophobicContact CG1-CG1 4.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.2Å; V171-I175 PolarHBondContact O-N 3.46Å; V171-V320 HydrophobicContact CG2-CG1 4.1Å; V171-V320 HydrophobicContact CG2-CG2 3.92Å |
| 172 | S | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | 173.7 | 79.8 | 0 | 0 | 0 | 0 | 112.6 | L39 L40 N43 G168 S169 N170 L174 I175 T176 | L39-S172 VanDerWaalsContact CB-OG 3.24Å; L39-S172 WeakPolarHBondContact CB-OG 3.24Å; L40-S172 WeakPolarHBondContact CD1-O 3.46Å; N43-S172 PolarHBondContact ND2-OG 2.89Å; G168-S172 PolarHBondContact O-N 3.37Å; S169-S172 WeakPolarHBondContact O-CB 3.3Å; S169-S172 PolarHBondContact O-N 3.39Å; S169-S172 PolarHBondContact O-OG 3.19Å; N170-S172 PolarHBondContact O-N 3.32Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 2.94Å; S172-I175 PolarHBondContact O-N 3.35Å; S172-T176 PolarHBondContact O-N 3.3Å; S172-T176 PolarHBondContact O-OG1 2.92Å; S172-T176 VanDerWaalsContact O-OG1 3.04Å |
| 173 | G | 96.4 | Very high | 96 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.1 | -33 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N170 V171 T176 S177 N316 | N170-G173 PolarHBondContact O-N 3.02Å; N170-G173 VanDerWaalsContact O-N 3.07Å; V171-G173 VanDerWaalsContact C-N 3.29Å; V171-G173 PolarHBondContact O-N 2.95Å; G173-T176 PolarHBondContact O-N 3.47Å; G173-S177 WeakPolarHBondContact O-CB 3.38Å; G173-S177 PolarHBondContact O-N 3.24Å; G173-S177 PolarHBondContact O-OG 3.36Å; G173-N316 VanDerWaalsContact C-OD1 3.29Å; G173-N316 WeakPolarHBondContact CA-OD1 3.45Å; G173-N316 PolarHBondContact O-ND2 3.16Å |
| 174 | L | 97.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 26 Ų | 26 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 173.3 | -179.2 | 59.3 | 0 | 0 | 0 | 111.2 | N170 V171 S172 T176 S177 I178 L313 N316 F317 V320 | N170-L174 PolarHBondContact O-N 3.05Å; N170-L174 VanDerWaalsContact O-N 3.15Å; V171-L174 WeakPolarHBondContact O-CB 3.33Å; V171-L174 PolarHBondContact O-N 3Å; V171-L174 VanDerWaalsContact O-N 3.15Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 2.94Å; L174-T176 VanDerWaalsContact C-N 3.32Å; L174-T176 PolarHBondContact O-N 2.91Å; L174-S177 PolarHBondContact O-N 3.07Å; L174-I178 HydrophobicContact CD1-CD1 4.16Å; L174-I178 HydrophobicContact CD1-CG1 4.41Å; L174-I178 HydrophobicContact CG-CD1 4.08Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.47Å; L174-L313 HydrophobicContact CD1-CD1 3.89Å; L174-N316 HydrophobicContact CB-CB 4.18Å; L174-F317 HydrophobicContact CD1-CB 4.17Å; L174-V320 HydrophobicContact CB-CG2 4.41Å; L174-V320 HydrophobicContact CD2-CG2 4.45Å |
| 175 | I | 97.4 | Very high | 95.2 | Very high | 63 Ų | 63 | 28.6 Ų | 28.6 | 32% | 0.323 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.4 | -49.7 | 173.4 | -67.5 | 167 | 0 | 0 | 0 | 109.7 | V36 L40 V171 S172 S177 I178 M179 | V36-I175 HydrophobicContact CG1-CD1 4.37Å; L40-I175 HydrophobicContact CD1-CB 4.18Å; L40-I175 HydrophobicContact CD1-CG2 3.94Å; L40-I175 HydrophobicContact CD2-CD1 4.44Å; L40-I175 HydrophobicContact CD2-CG2 4.32Å; V171-I175 HydrophobicContact CG1-CD1 3.93Å; V171-I175 HydrophobicContact CG1-CG1 4.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.2Å; V171-I175 PolarHBondContact O-N 3.46Å; S172-I175 PolarHBondContact O-N 3.35Å; I175-S177 VanDerWaalsContact C-N 3.32Å; I175-S177 PolarHBondContact O-N 3.38Å; I175-I178 PolarHBondContact O-N 3.05Å; I175-M179 HydrophobicContact CG2-CG 4.36Å; I175-M179 HydrophobicContact CG2-SD 3.91Å; I175-M179 WeakPolarHBondContact O-CB 3.41Å; I175-M179 VanDerWaalsContact O-CG 3.3Å; I175-M179 WeakPolarHBondContact O-CG 3.4Å; I175-M179 PolarHBondContact O-N 3.48Å |
| 176 | T | 96.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -39 | 179.2 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | L40 N43 L44 N47 S172 G173 L174 M179 Y180 | L40-T176 VanDerWaalsContact CD1-OG1 3.3Å; L40-T176 WeakPolarHBondContact CD1-OG1 3.46Å; N43-T176 HydrophobicContact CB-CG2 3.89Å; N43-T176 VanDerWaalsContact CB-OG1 3.29Å; N43-T176 WeakPolarHBondContact CB-OG1 3.43Å; L44-T176 HydrophobicContact CD2-CG2 4.17Å; N47-T176 HydrophobicContact CB-CG2 4.21Å; N47-T176 WeakPolarHBondContact ND2-CG2 3.42Å; S172-T176 PolarHBondContact O-N 3.3Å; S172-T176 PolarHBondContact O-OG1 2.92Å; S172-T176 VanDerWaalsContact O-OG1 3.04Å; G173-T176 PolarHBondContact O-N 3.47Å; L174-T176 VanDerWaalsContact C-N 3.32Å; L174-T176 PolarHBondContact O-N 2.91Å; T176-M179 PolarHBondContact O-N 3.38Å; T176-Y180 WeakPolarHBondContact O-CB 3.31Å; T176-Y180 PolarHBondContact O-N 3.49Å |
| 177 | S | 95.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | G173 L174 I175 Y180 L181 F312 N316 | G173-S177 WeakPolarHBondContact O-CB 3.38Å; G173-S177 PolarHBondContact O-N 3.24Å; G173-S177 PolarHBondContact O-OG 3.36Å; L174-S177 PolarHBondContact O-N 3.07Å; I175-S177 VanDerWaalsContact C-N 3.32Å; I175-S177 PolarHBondContact O-N 3.38Å; S177-Y180 PolarHBondContact O-N 3.13Å; S177-L181 PolarHBondContact O-N 3.06Å; S177-F312 PolarHBondContact OG-O 3.37Å; S177-F312 VanDerWaalsContact OG-O 3.14Å; S177-N316 PolarHBondContact OG-ND2 3.2Å |
| 178 | I | 95.8 | Very high | 93.5 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.8 | -45 | 174.5 | -67 | 166 | 0 | 0 | 0 | 110 | L174 I175 Y180 L181 I182 L313 | L174-I178 HydrophobicContact CD1-CD1 4.16Å; L174-I178 HydrophobicContact CD1-CG1 4.41Å; L174-I178 HydrophobicContact CG-CD1 4.08Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.47Å; I175-I178 PolarHBondContact O-N 3.05Å; I178-Y180 VanDerWaalsContact C-N 3.29Å; I178-Y180 PolarHBondContact O-N 3.27Å; I178-L181 PolarHBondContact O-N 2.91Å; I178-I182 HydrophobicContact CG2-CD1 3.89Å; I178-I182 VanDerWaalsContact O-CG1 3.32Å; I178-I182 WeakPolarHBondContact O-CG1 3.22Å; I178-I182 PolarHBondContact O-N 2.93Å; I178-L313 HydrophobicContact CG1-CD1 4.21Å |
| 179 | M | 93.9 | Very high | 93.3 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 15% | 0.148 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 176.4 | -72.6 | -177.5 | 75.4 | 0 | 0 | 112.6 | L44 I175 T176 S183 V196 Y197 C200 | L44-M179 HydrophobicContact CD1-SD 4.42Å; L44-M179 HydrophobicContact CD2-CE 3.99Å; L44-M179 HydrophobicContact CD2-SD 3.63Å; I175-M179 HydrophobicContact CG2-CG 4.36Å; I175-M179 HydrophobicContact CG2-SD 3.91Å; I175-M179 WeakPolarHBondContact O-CB 3.41Å; I175-M179 VanDerWaalsContact O-CG 3.3Å; I175-M179 WeakPolarHBondContact O-CG 3.4Å; I175-M179 PolarHBondContact O-N 3.48Å; T176-M179 PolarHBondContact O-N 3.38Å; M179-S183 WeakPolarHBondContact O-CB 3.45Å; M179-S183 PolarHBondContact O-N 3.32Å; M179-V196 HydrophobicContact CE-CG1 4.11Å; M179-Y197 HydrophobicContact CB-CE1 4.04Å; M179-Y197 HydrophobicContact CE-CD1 3.66Å; M179-Y197 HydrophobicContact CE-CE1 4.02Å; M179-Y197 PolarHBondContact O-OH 3.49Å; M179-C200 HydrophobicContact CE-CB 3.91Å; M179-C200 VanDerWaalsContact CE-SG 3.53Å |
| 180 | Y | 92.2 | Very high | 93.1 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 173.6 | -178.5 | -118.7 | 0 | 0 | 0 | 111.3 | T176 S177 I178 I182 S183 V184 A308 F312 | T176-Y180 WeakPolarHBondContact O-CB 3.31Å; T176-Y180 PolarHBondContact O-N 3.49Å; S177-Y180 PolarHBondContact O-N 3.13Å; I178-Y180 VanDerWaalsContact C-N 3.29Å; I178-Y180 PolarHBondContact O-N 3.27Å; Y180-I182 VanDerWaalsContact C-N 3.32Å; Y180-I182 PolarHBondContact O-N 3.2Å; Y180-S183 PolarHBondContact O-N 3.37Å; Y180-S183 VanDerWaalsContact O-N 3.13Å; Y180-V184 HydrophobicContact CD2-CG2 4.4Å; Y180-V184 HydrophobicContact CE1-CG2 4.2Å; Y180-V184 HydrophobicContact CE2-CG2 4.02Å; Y180-V184 WeakPolarHBondContact O-CG2 3.31Å; Y180-V184 PolarHBondContact O-N 2.84Å; Y180-A308 HydrophobicContact CD1-CB 3.82Å; Y180-A308 HydrophobicContact CE1-CB 3.6Å; Y180-F312 HydrophobicContact CD1-CD2 4.34Å; Y180-F312 HydrophobicContact CE1-CD2 4.18Å; Y180-F312 HydrophobicContact CE1-CE2 4.41Å |
| 181 | L | 93 | Very high | 93 | Very high | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 177.5 | -171.6 | 65.6 | 0 | 0 | 0 | 112 | S177 I178 V184 A185 Y305 A308 V309 L313 | S177-L181 PolarHBondContact O-N 3.06Å; I178-L181 PolarHBondContact O-N 2.91Å; L181-V184 PolarHBondContact O-N 3.45Å; L181-A185 WeakPolarHBondContact O-CB 3.28Å; L181-A185 PolarHBondContact O-N 3.37Å; L181-Y305 HydrophobicContact CD1-CD1 3.82Å; L181-Y305 HydrophobicContact CD1-CE1 4.36Å; L181-A308 HydrophobicContact CD1-CB 4.15Å; L181-V309 HydrophobicContact CD1-CG2 4.25Å; L181-L313 HydrophobicContact CD2-CD2 4.48Å |
| 182 | I | 92.6 | Very high | 92.8 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 46% | 0.462 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.4 | -68.3 | 167.2 | 0 | 0 | 0 | 111 | I178 Y180 A185 L186 | I178-I182 HydrophobicContact CG2-CD1 3.89Å; I178-I182 VanDerWaalsContact O-CG1 3.32Å; I178-I182 WeakPolarHBondContact O-CG1 3.22Å; I178-I182 PolarHBondContact O-N 2.93Å; Y180-I182 VanDerWaalsContact C-N 3.32Å; Y180-I182 PolarHBondContact O-N 3.2Å; I182-A185 PolarHBondContact O-N 3.11Å; I182-L186 HydrophobicContact CG2-CD1 3.62Å; I182-L186 HydrophobicContact CG2-CG 4.16Å; I182-L186 WeakPolarHBondContact O-CB 3.28Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 3.32Å |
| 183 | S | 90.5 | Very high | 92.6 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 177.3 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | M179 Y180 A185 S187 P188 S193 Y197 | M179-S183 WeakPolarHBondContact O-CB 3.45Å; M179-S183 PolarHBondContact O-N 3.32Å; Y180-S183 PolarHBondContact O-N 3.37Å; Y180-S183 VanDerWaalsContact O-N 3.13Å; S183-A185 VanDerWaalsContact C-N 3.32Å; S183-A185 PolarHBondContact O-N 2.91Å; S183-S187 WeakPolarHBondContact O-CA 3.27Å; S183-S187 PolarHBondContact O-N 3.48Å; S183-P188 WeakPolarHBondContact O-CD 3.45Å; S183-S193 PolarHBondContact OG-OG 3.47Å; S183-Y197 WeakPolarHBondContact CB-OH 3.42Å |
| 184 | V | 87.4 | Confident | 92.5 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 174 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | Y180 L181 R304 Y305 | Y180-V184 HydrophobicContact CD2-CG2 4.4Å; Y180-V184 HydrophobicContact CE1-CG2 4.2Å; Y180-V184 HydrophobicContact CE2-CG2 4.02Å; Y180-V184 WeakPolarHBondContact O-CG2 3.31Å; Y180-V184 PolarHBondContact O-N 2.84Å; L181-V184 PolarHBondContact O-N 3.45Å; V184-R304 HydrophobicContact CG1-CG 3.86Å; V184-R304 PolarHBondContact O-NH2 3.01Å; V184-Y305 HydrophobicContact CB-CE1 4.44Å; V184-Y305 HydrophobicContact CG1-CD1 3.92Å; V184-Y305 HydrophobicContact CG1-CE1 3.65Å |
| 185 | A | 90.6 | Very high | 92.4 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L181 I182 S183 | L181-A185 WeakPolarHBondContact O-CB 3.28Å; L181-A185 PolarHBondContact O-N 3.37Å; I182-A185 PolarHBondContact O-N 3.11Å; S183-A185 VanDerWaalsContact C-N 3.32Å; S183-A185 PolarHBondContact O-N 2.91Å |
| 186 | L | 91.5 | Very high | 92.2 | Very high | 132 Ų | 132 | 52.4 Ų | 52.4 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -79.7 | -18.6 | -176.4 | -63.9 | 179.2 | 0 | 0 | 0 | 113.3 | I182 P188 | I182-L186 HydrophobicContact CG2-CD1 3.62Å; I182-L186 HydrophobicContact CG2-CG 4.16Å; I182-L186 WeakPolarHBondContact O-CB 3.28Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 3.32Å; L186-P188 VanDerWaalsContact C-CD 3.49Å; L186-P188 VanDerWaalsContact C-N 3.33Å |
| 187 | S | 82.3 | Confident | 92.2 | Very high | 75 Ų | 75 | 52.4 Ų | 52.4 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | trans | 47.3 | 47.4 | -175.4 | -44.3 | 0 | 0 | 0 | 0 | 113.7 | S183 R304 | S183-S187 WeakPolarHBondContact O-CA 3.27Å; S183-S187 PolarHBondContact O-N 3.48Å; S187-R304 PolarHBondContact OG-NH2 3.26Å | ||
| 188 | P | 83.3 | Confident | 92.2 | Very high | 46 Ų | 46 | 52.3 Ų | 52.3 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | trans | -63.9 | 161.1 | 179.2 | 31.7 | -34.3 | 0 | 0 | 0 | 110.3 | S183 L186 M192 | S183-P188 WeakPolarHBondContact O-CD 3.45Å; L186-P188 VanDerWaalsContact C-CD 3.49Å; L186-P188 VanDerWaalsContact C-N 3.33Å; P188-M192 HydrophobicContact CB-CB 4.32Å; P188-M192 HydrophobicContact CB-CG 4.2Å | ||
| 189 | S | 93.2 | Very high | 92.3 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 51% | 0.51 | 29% | 0.292 | S | S | . | . | trans | -59.4 | 149.5 | 171.1 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | M192 S193 | S189-M192 WeakPolarHBondContact O-CB 3.36Å; S189-M192 PolarHBondContact O-N 2.9Å; S189-M192 WeakPolarHBondContact OG-CB 3.12Å; S189-S193 PolarHBondContact O-N 3.02Å | ||
| 190 | Y | 93 | Very high | 92.4 | Very high | 97 Ų | 97 | 51.9 Ų | 51.9 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.1 | -43.6 | -178.4 | -57.5 | -65.8 | 0 | 0 | 0 | 113.6 | A50 K54 M192 S193 A194 | A50-Y190 HydrophobicContact CB-CD1 3.92Å; A50-Y190 HydrophobicContact CB-CE1 3.82Å; K54-Y190 HydrophobicContact CB-CE2 4.13Å; K54-Y190 HydrophobicContact CD-CE1 4.34Å; Y190-M192 PolarHBondContact O-N 3.48Å; Y190-S193 PolarHBondContact O-N 3.27Å; Y190-A194 WeakPolarHBondContact O-CB 3.41Å; Y190-A194 PolarHBondContact O-N 3.5Å |
| 191 | P | 94 | Very high | 92.6 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 175.4 | -23.9 | 36.3 | 0 | 0 | 0 | 112.9 | Y55 P117 A194 T195 | Y55-P191 HydrophobicContact CD1-CG 3.89Å; Y55-P191 HydrophobicContact CD2-CG 4.43Å; Y55-P191 HydrophobicContact CE1-CG 3.49Å; Y55-P191 VanDerWaalsContact CE1-CG 3.49Å; Y55-P191 HydrophobicContact CE2-CG 4.06Å; Y55-P191 HydrophobicContact CG-CG 4.35Å; P117-P191 HydrophobicContact CB-CB 4.3Å; P191-A194 PolarHBondContact O-N 2.89Å; P191-T195 WeakPolarHBondContact O-CB 3.35Å; P191-T195 PolarHBondContact O-N 3.47Å; P191-T195 PolarHBondContact O-OG1 3.4Å |
| 192 | M | 93.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 48 Ų | 48 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 178.3 | -178.6 | 65.4 | 74.2 | 0 | 0 | 111.2 | P188 S189 Y190 A194 T195 V196 | P188-M192 HydrophobicContact CB-CB 4.32Å; P188-M192 HydrophobicContact CB-CG 4.2Å; S189-M192 WeakPolarHBondContact O-CB 3.36Å; S189-M192 PolarHBondContact O-N 2.9Å; S189-M192 WeakPolarHBondContact OG-CB 3.12Å; Y190-M192 PolarHBondContact O-N 3.48Å; M192-A194 VanDerWaalsContact C-N 3.32Å; M192-A194 PolarHBondContact O-N 3.44Å; M192-T195 PolarHBondContact O-N 3.15Å; M192-V196 WeakPolarHBondContact O-CG2 3.46Å; M192-V196 PolarHBondContact O-N 2.96Å |
| 193 | S | 93.5 | Very high | 93.1 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.8 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | S183 S189 Y190 V196 Y197 | S183-S193 PolarHBondContact OG-OG 3.47Å; S189-S193 PolarHBondContact O-N 3.02Å; Y190-S193 PolarHBondContact O-N 3.27Å; S193-V196 PolarHBondContact O-N 3.36Å; S193-Y197 VanDerWaalsContact O-CG 3.26Å; S193-Y197 PolarHBondContact O-N 2.84Å; S193-Y197 WeakPolarHBondContact OG-CE2 3.31Å |
| 194 | A | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y51 P117 Y190 P191 M192 V196 Y197 F198 | Y51-A194 HydrophobicContact CD1-CB 3.75Å; Y51-A194 HydrophobicContact CD2-CB 3.77Å; Y51-A194 HydrophobicContact CE1-CB 4.28Å; Y51-A194 HydrophobicContact CE2-CB 4.3Å; Y51-A194 HydrophobicContact CG-CB 3.46Å; Y51-A194 VanDerWaalsContact CG-CB 3.46Å; P117-A194 HydrophobicContact CB-CB 4.37Å; P117-A194 HydrophobicContact CG-CB 3.99Å; Y190-A194 WeakPolarHBondContact O-CB 3.41Å; Y190-A194 PolarHBondContact O-N 3.5Å; P191-A194 PolarHBondContact O-N 2.89Å; M192-A194 VanDerWaalsContact C-N 3.32Å; M192-A194 PolarHBondContact O-N 3.44Å; A194-V196 VanDerWaalsContact C-N 3.32Å; A194-V196 PolarHBondContact O-N 2.74Å; A194-Y197 PolarHBondContact O-N 3Å; A194-F198 HydrophobicContact CB-CD2 4.31Å; A194-F198 HydrophobicContact CB-CE2 3.83Å; A194-F198 HydrophobicContact CB-CZ 4.42Å; A194-F198 WeakPolarHBondContact O-CD2 3.1Å; A194-F198 VanDerWaalsContact O-CG 3.27Å; A194-F198 WeakPolarHBondContact O-CG 3.42Å; A194-F198 PolarHBondContact O-N 3.06Å |
| 195 | T | 94.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -43 | 176.7 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | P117 P191 M192 S199 | P117-T195 WeakPolarHBondContact CB-OG1 3.32Å; P191-T195 WeakPolarHBondContact O-CB 3.35Å; P191-T195 PolarHBondContact O-N 3.47Å; P191-T195 PolarHBondContact O-OG1 3.4Å; M192-T195 PolarHBondContact O-N 3.15Å; T195-S199 WeakPolarHBondContact O-CB 3.42Å; T195-S199 PolarHBondContact O-N 3.21Å; T195-S199 PolarHBondContact O-OG 2.89Å |
| 196 | V | 95 | Very high | 94.2 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110.7 | M179 M192 S193 A194 S199 C200 | M179-V196 HydrophobicContact CE-CG1 4.11Å; M192-V196 WeakPolarHBondContact O-CG2 3.46Å; M192-V196 PolarHBondContact O-N 2.96Å; S193-V196 PolarHBondContact O-N 3.36Å; A194-V196 VanDerWaalsContact C-N 3.32Å; A194-V196 PolarHBondContact O-N 2.74Å; V196-S199 PolarHBondContact O-N 2.9Å; V196-C200 WeakPolarHBondContact O-CB 3.32Å; V196-C200 PolarHBondContact O-N 3.39Å; V196-C200 PolarHBondContact O-SG 2.79Å |
| 197 | Y | 95.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 45 Ų | 45 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 179.3 | -69.3 | -11.4 | 0 | 0 | 0 | 112.4 | L44 N47 M179 S183 S193 A194 S199 C200 A201 | L44-Y197 WeakPolarHBondContact CD1-O 3.5Å; L44-Y197 HydrophobicContact CD2-CD1 4.12Å; L44-Y197 HydrophobicContact CD2-CG 4.37Å; N47-Y197 HydrophobicContact CB-CE2 4.17Å; M179-Y197 HydrophobicContact CB-CE1 4.04Å; M179-Y197 HydrophobicContact CE-CD1 3.66Å; M179-Y197 HydrophobicContact CE-CE1 4.02Å; M179-Y197 PolarHBondContact O-OH 3.49Å; S183-Y197 WeakPolarHBondContact CB-OH 3.42Å; S193-Y197 VanDerWaalsContact O-CG 3.26Å; S193-Y197 PolarHBondContact O-N 2.84Å; S193-Y197 WeakPolarHBondContact OG-CE2 3.31Å; A194-Y197 PolarHBondContact O-N 3Å; Y197-S199 PolarHBondContact O-N 3.04Å; Y197-C200 PolarHBondContact O-N 3.33Å; Y197-A201 WeakPolarHBondContact O-CB 3.31Å; Y197-A201 PolarHBondContact O-N 3.27Å |
| 198 | F | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.8 | -36.5 | 179.4 | -57.4 | -37.3 | 0 | 0 | 0 | 112.2 | F45 S48 Y51 Y52 F110 T113 C114 P117 A194 A201 L202 | F45-F198 AromaticContact CD2-CE1 3.83Å; F45-F198 HydrophobicContact CD2-CE1 3.83Å; F45-F198 HydrophobicContact CD2-CZ 4.46Å; F45-F198 HydrophobicContact CE2-CE1 4.44Å; S48-F198 WeakPolarHBondContact OG-CE1 3.49Å; S48-F198 WeakPolarHBondContact OG-CZ 3.48Å; Y51-F198 HydrophobicContact CD1-CE2 4.46Å; Y51-F198 HydrophobicContact CE1-CE2 4.2Å; Y52-F198 HydrophobicContact CE2-CZ 4.04Å; Y52-F198 WeakPolarHBondContact OH-CZ 3.33Å; F110-F198 HydrophobicContact CE1-CD1 4.32Å; T113-F198 HydrophobicContact CG2-CD1 3.92Å; T113-F198 HydrophobicContact CG2-CD2 3.87Å; T113-F198 HydrophobicContact CG2-CE1 3.95Å; T113-F198 HydrophobicContact CG2-CE2 3.89Å; T113-F198 HydrophobicContact CG2-CG 3.89Å; T113-F198 HydrophobicContact CG2-CZ 3.95Å; T113-F198 WeakPolarHBondContact O-CD2 3.45Å; C114-F198 HydrophobicContact CB-CB 4.41Å; C114-F198 VanDerWaalsContact SG-CB 3.58Å; C114-F198 PolarHBondContact SG-O 3.45Å; P117-F198 HydrophobicContact CG-CD2 3.83Å; P117-F198 HydrophobicContact CG-CE2 3.88Å; A194-F198 HydrophobicContact CB-CD2 4.31Å; A194-F198 HydrophobicContact CB-CE2 3.83Å; A194-F198 HydrophobicContact CB-CZ 4.42Å; A194-F198 WeakPolarHBondContact O-CD2 3.1Å; A194-F198 VanDerWaalsContact O-CG 3.27Å; A194-F198 WeakPolarHBondContact O-CG 3.42Å; A194-F198 PolarHBondContact O-N 3.06Å; F198-A201 WeakPolarHBondContact O-CB 3.36Å; F198-A201 PolarHBondContact O-N 3.25Å; F198-L202 WeakPolarHBondContact O-CB 3.43Å; F198-L202 PolarHBondContact O-N 2.7Å |
| 199 | S | 96.3 | Very high | 95.9 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 176 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | C114 T195 V196 Y197 A201 L202 F203 | C114-S199 PolarHBondContact SG-N 3.48Å; T195-S199 WeakPolarHBondContact O-CB 3.42Å; T195-S199 PolarHBondContact O-N 3.21Å; T195-S199 PolarHBondContact O-OG 2.89Å; V196-S199 PolarHBondContact O-N 2.9Å; Y197-S199 PolarHBondContact O-N 3.04Å; S199-A201 VanDerWaalsContact C-N 3.34Å; S199-L202 PolarHBondContact O-N 3.39Å; S199-F203 WeakPolarHBondContact O-CB 3.17Å; S199-F203 PolarHBondContact O-N 3.42Å |
| 200 | C | 96.8 | Very high | 96 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 30% | 0.297 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 174 | -71.9 | 0 | 0 | 0 | 0 | 112 | L44 M179 V196 Y197 T204 | L44-C200 HydrophobicContact CD1-CB 3.77Å; M179-C200 HydrophobicContact CE-CB 3.91Å; M179-C200 VanDerWaalsContact CE-SG 3.53Å; V196-C200 WeakPolarHBondContact O-CB 3.32Å; V196-C200 PolarHBondContact O-N 3.39Å; V196-C200 PolarHBondContact O-SG 2.79Å; Y197-C200 PolarHBondContact O-N 3.33Å; C200-T204 WeakPolarHBondContact O-CB 3.38Å; C200-T204 PolarHBondContact O-N 3.03Å; C200-T204 PolarHBondContact O-OG1 3.24Å |
| 201 | A | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P41 L44 F110 Y197 F198 S199 T204 I205 | P41-A201 HydrophobicContact CB-CB 3.97Å; L44-A201 HydrophobicContact CD1-CB 4.18Å; F110-A201 HydrophobicContact CD1-CB 3.61Å; F110-A201 HydrophobicContact CE1-CB 3.46Å; F110-A201 VanDerWaalsContact CE1-CB 3.46Å; F110-A201 HydrophobicContact CG-CB 4.37Å; F110-A201 HydrophobicContact CZ-CB 4.1Å; Y197-A201 WeakPolarHBondContact O-CB 3.31Å; Y197-A201 PolarHBondContact O-N 3.27Å; F198-A201 WeakPolarHBondContact O-CB 3.36Å; F198-A201 PolarHBondContact O-N 3.25Å; S199-A201 VanDerWaalsContact C-N 3.34Å; A201-T204 WeakPolarHBondContact O-CB 3.35Å; A201-T204 PolarHBondContact O-N 2.86Å; A201-I205 WeakPolarHBondContact O-CG1 3.28Å; A201-I205 PolarHBondContact O-N 2.94Å |
| 202 | L | 97.6 | Very high | 96 | Very high | 40 Ų | 40 | 38.8 Ų | 38.8 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -47.4 | 177.7 | -179.4 | 60.9 | 0 | 0 | 0 | 111.8 | A107 F110 A111 F198 S199 T204 I205 V206 | A107-L202 WeakPolarHBondContact O-CD1 3.37Å; F110-L202 HydrophobicContact CB-CB 4.27Å; F110-L202 HydrophobicContact CB-CD1 4.13Å; A111-L202 HydrophobicContact CB-CD1 4.32Å; A111-L202 HydrophobicContact CB-CD2 4.28Å; F198-L202 WeakPolarHBondContact O-CB 3.43Å; F198-L202 PolarHBondContact O-N 2.7Å; S199-L202 PolarHBondContact O-N 3.39Å; L202-T204 VanDerWaalsContact C-N 3.25Å; L202-T204 PolarHBondContact O-N 3.4Å; L202-I205 PolarHBondContact O-N 3.19Å; L202-V206 HydrophobicContact CD1-CG2 4.11Å; L202-V206 HydrophobicContact CG-CG2 4.39Å; L202-V206 WeakPolarHBondContact O-CG2 3.41Å; L202-V206 PolarHBondContact O-N 3.4Å |
| 203 | F | 97.8 | Very high | 95.8 | Very high | 145 Ų | 145 | 38.1 Ų | 38.1 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -56.1 | -42.3 | 176.6 | 174.5 | -98.7 | 0 | 0 | 0 | 111.8 | S199 T207 | S199-F203 WeakPolarHBondContact O-CB 3.17Å; S199-F203 PolarHBondContact O-N 3.42Å; F203-T207 WeakPolarHBondContact O-CB 3.25Å; F203-T207 PolarHBondContact O-N 3.29Å; F203-T207 PolarHBondContact O-OG1 2.63Å |
| 204 | T | 97.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 178 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | V36 L40 C200 A201 L202 T207 C208 | V36-T204 HydrophobicContact CG1-CG2 4.1Å; L40-T204 HydrophobicContact CB-CG2 4.38Å; L40-T204 HydrophobicContact CD2-CG2 4.03Å; L40-T204 WeakPolarHBondContact CD2-OG1 3.3Å; C200-T204 WeakPolarHBondContact O-CB 3.38Å; C200-T204 PolarHBondContact O-N 3.03Å; C200-T204 PolarHBondContact O-OG1 3.24Å; A201-T204 WeakPolarHBondContact O-CB 3.35Å; A201-T204 PolarHBondContact O-N 2.86Å; L202-T204 VanDerWaalsContact C-N 3.25Å; L202-T204 PolarHBondContact O-N 3.4Å; T204-T207 PolarHBondContact O-N 2.9Å; T204-C208 PolarHBondContact O-N 2.71Å; T204-C208 PolarHBondContact O-SG 3.44Å |
| 205 | I | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 179.6 | -65.4 | 160.4 | 0 | 0 | 0 | 110.9 | P41 L103 M106 A107 F110 A201 L202 T207 C208 L209 | P41-I205 HydrophobicContact CB-CD1 3.97Å; P41-I205 HydrophobicContact CB-CG1 4.42Å; P41-I205 HydrophobicContact CG-CD1 3.76Å; P41-I205 HydrophobicContact CG-CG1 3.65Å; L103-I205 HydrophobicContact CD2-CG2 4.27Å; L103-I205 WeakPolarHBondContact O-CG2 3.34Å; M106-I205 HydrophobicContact CB-CD1 4Å; M106-I205 HydrophobicContact CB-CG2 4.11Å; M106-I205 HydrophobicContact CE-CD1 4.32Å; M106-I205 HydrophobicContact CE-CG1 4.39Å; A107-I205 HydrophobicContact CB-CG2 3.85Å; F110-I205 HydrophobicContact CB-CD1 4.16Å; F110-I205 HydrophobicContact CD2-CD1 3.28Å; F110-I205 HydrophobicContact CE2-CD1 3.81Å; F110-I205 HydrophobicContact CG-CD1 3.84Å; A201-I205 WeakPolarHBondContact O-CG1 3.28Å; A201-I205 PolarHBondContact O-N 2.94Å; L202-I205 PolarHBondContact O-N 3.19Å; I205-T207 VanDerWaalsContact C-N 3.32Å; I205-T207 PolarHBondContact O-N 3.07Å; I205-C208 WeakPolarHBondContact O-CB 3.43Å; I205-C208 PolarHBondContact O-N 2.81Å; I205-L209 PolarHBondContact O-N 3.27Å |
| 206 | V | 97.3 | Very high | 94.8 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 35% | 0.345 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 177 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L202 C208 L209 L210 | L202-V206 HydrophobicContact CD1-CG2 4.11Å; L202-V206 HydrophobicContact CG-CG2 4.39Å; L202-V206 WeakPolarHBondContact O-CG2 3.41Å; L202-V206 PolarHBondContact O-N 3.4Å; V206-C208 VanDerWaalsContact C-N 3.34Å; V206-C208 PolarHBondContact O-N 3.19Å; V206-L209 WeakPolarHBondContact O-CB 3.41Å; V206-L209 PolarHBondContact O-N 2.97Å; V206-L210 HydrophobicContact CG1-CD1 4.01Å; V206-L210 HydrophobicContact CG1-CG 4.35Å; V206-L210 WeakPolarHBondContact O-CG 3.47Å; V206-L210 PolarHBondContact O-N 3.44Å |
| 207 | T | 97.5 | Very high | 94.4 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.9 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | L33 F203 T204 I205 L210 S211 | L33-T207 HydrophobicContact CD1-CG2 4.31Å; L33-T207 HydrophobicContact CD2-CG2 3.97Å; F203-T207 WeakPolarHBondContact O-CB 3.25Å; F203-T207 PolarHBondContact O-N 3.29Å; F203-T207 PolarHBondContact O-OG1 2.63Å; T204-T207 PolarHBondContact O-N 2.9Å; I205-T207 VanDerWaalsContact C-N 3.32Å; I205-T207 PolarHBondContact O-N 3.07Å; T207-L210 PolarHBondContact O-N 3.17Å; T207-S211 VanDerWaalsContact O-CB 3.3Å; T207-S211 WeakPolarHBondContact O-CB 3.26Å; T207-S211 PolarHBondContact O-N 3.14Å; T207-S211 PolarHBondContact O-OG 2.9Å |
| 208 | C | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 173 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | H34 L103 T204 I205 V206 S211 F212 | H34-C208 PolarHBondContact CE1-O 3.39Å; H34-C208 PolarHBondContact NE2-O 3.3Å; H34-C208 VanDerWaalsContact NE2-O 3.16Å; L103-C208 HydrophobicContact CD1-CB 4.44Å; L103-C208 HydrophobicContact CD2-CB 3.89Å; T204-C208 PolarHBondContact O-N 2.71Å; T204-C208 PolarHBondContact O-SG 3.44Å; I205-C208 WeakPolarHBondContact O-CB 3.43Å; I205-C208 PolarHBondContact O-N 2.81Å; V206-C208 VanDerWaalsContact C-N 3.34Å; V206-C208 PolarHBondContact O-N 3.19Å; C208-S211 WeakPolarHBondContact CA-OG 3.38Å; C208-S211 PolarHBondContact O-OG 3.31Å; C208-F212 WeakPolarHBondContact O-CB 3.31Å; C208-F212 PolarHBondContact O-N 2.89Å; C208-F212 VanDerWaalsContact O-N 3.08Å |
| 209 | L | 95.7 | Very high | 93.8 | Very high | 39 Ų | 39 | 64.9 Ų | 64.9 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 176.8 | -173 | 66.8 | 0 | 0 | 0 | 111.6 | L103 I205 V206 F212 L213 | L103-L209 HydrophobicContact CB-CD1 3.91Å; I205-L209 PolarHBondContact O-N 3.27Å; V206-L209 WeakPolarHBondContact O-CB 3.41Å; V206-L209 PolarHBondContact O-N 2.97Å; L209-F212 WeakPolarHBondContact O-CB 3.43Å; L209-F212 PolarHBondContact O-N 2.88Å; L209-L213 WeakPolarHBondContact O-CG 3.18Å; L209-L213 PolarHBondContact O-N 3.36Å; L209-L213 VanDerWaalsContact O-N 3.11Å |
| 210 | L | 95.4 | Very high | 93.6 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 177.9 | -69.6 | 173.6 | 0 | 0 | 0 | 111.8 | V206 T207 F212 L213 L214 | V206-L210 HydrophobicContact CG1-CD1 4.01Å; V206-L210 HydrophobicContact CG1-CG 4.35Å; V206-L210 WeakPolarHBondContact O-CG 3.47Å; V206-L210 PolarHBondContact O-N 3.44Å; T207-L210 PolarHBondContact O-N 3.17Å; L210-F212 VanDerWaalsContact C-N 3.25Å; L210-F212 PolarHBondContact O-N 3.39Å; L210-L213 PolarHBondContact O-N 3.43Å; L210-L213 VanDerWaalsContact O-N 3.14Å; L210-L214 WeakPolarHBondContact O-CG 3.17Å; L210-L214 PolarHBondContact O-N 2.76Å |
| 211 | S | 95.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -37.4 | 177.7 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | L33 H34 T207 C208 L214 L215 | L33-S211 WeakPolarHBondContact CD2-OG 3.44Å; H34-S211 PolarHBondContact NE2-OG 3.31Å; T207-S211 VanDerWaalsContact O-CB 3.3Å; T207-S211 WeakPolarHBondContact O-CB 3.26Å; T207-S211 PolarHBondContact O-N 3.14Å; T207-S211 PolarHBondContact O-OG 2.9Å; C208-S211 WeakPolarHBondContact CA-OG 3.38Å; C208-S211 PolarHBondContact O-OG 3.31Å; S211-L214 PolarHBondContact O-N 3.24Å; S211-L215 WeakPolarHBondContact O-CB 3.4Å; S211-L215 PolarHBondContact O-N 3.07Å |
| 212 | F | 92.2 | Very high | 93 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.5 | 170.6 | -99.9 | 0 | 0 | 0 | 112.9 | F30 L96 M99 A100 C208 L209 L210 L214 L215 R216 | F30-F212 HydrophobicContact CE2-CB 4.18Å; F30-F212 HydrophobicContact CZ-CD2 4.41Å; L96-F212 HydrophobicContact CB-CE2 4.09Å; L96-F212 HydrophobicContact CB-CZ 3.88Å; L96-F212 HydrophobicContact CD2-CE2 3.74Å; L96-F212 HydrophobicContact CD2-CZ 4.39Å; L96-F212 HydrophobicContact CG-CE2 4.41Å; L96-F212 VanDerWaalsContact O-CZ 3.25Å; L96-F212 WeakPolarHBondContact O-CZ 3.36Å; M99-F212 HydrophobicContact CE-CB 4.47Å; M99-F212 HydrophobicContact CE-CD2 3.68Å; M99-F212 HydrophobicContact CE-CE2 4.28Å; M99-F212 HydrophobicContact CE-CG 4.35Å; M99-F212 HydrophobicContact CG-CD2 4.38Å; M99-F212 HydrophobicContact CG-CE2 4.26Å; M99-F212 HydrophobicContact SD-CD2 4.08Å; M99-F212 HydrophobicContact SD-CE2 4.07Å; A100-F212 HydrophobicContact CB-CE1 3.76Å; A100-F212 HydrophobicContact CB-CZ 4.26Å; C208-F212 WeakPolarHBondContact O-CB 3.31Å; C208-F212 PolarHBondContact O-N 2.89Å; C208-F212 VanDerWaalsContact O-N 3.08Å; L209-F212 WeakPolarHBondContact O-CB 3.43Å; L209-F212 PolarHBondContact O-N 2.88Å; L210-F212 VanDerWaalsContact C-N 3.25Å; L210-F212 PolarHBondContact O-N 3.39Å; F212-L214 VanDerWaalsContact C-N 3.34Å; F212-L214 PolarHBondContact O-N 3.12Å; F212-L215 PolarHBondContact O-N 3.01Å; F212-R216 PolarHBondContact O-N 3.28Å |
| 213 | L | 89.3 | Confident | 92.6 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.3 | -64.6 | 176.7 | 0 | 0 | 0 | 111.6 | L209 L210 F217 | L209-L213 WeakPolarHBondContact O-CG 3.18Å; L209-L213 PolarHBondContact O-N 3.36Å; L209-L213 VanDerWaalsContact O-N 3.11Å; L210-L213 PolarHBondContact O-N 3.43Å; L210-L213 VanDerWaalsContact O-N 3.14Å; L213-F217 WeakPolarHBondContact O-CD2 3.12Å; L213-F217 WeakPolarHBondContact O-CE2 2.93Å |
| 214 | L | 91 | Very high | 92.2 | Very high | 124 Ų | 124 | 59.9 Ų | 59.9 | 65% | 0.649 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 178 | -67.3 | 174.5 | 0 | 0 | 0 | 112.4 | L210 S211 F212 R216 F217 | L210-L214 WeakPolarHBondContact O-CG 3.17Å; L210-L214 PolarHBondContact O-N 2.76Å; S211-L214 PolarHBondContact O-N 3.24Å; F212-L214 VanDerWaalsContact C-N 3.34Å; F212-L214 PolarHBondContact O-N 3.12Å; L214-R216 PolarHBondContact O-N 3.01Å; L214-F217 WeakPolarHBondContact O-CB 3.42Å; L214-F217 PolarHBondContact O-N 3.3Å |
| 215 | L | 88.1 | Confident | 91.8 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -26.1 | -176.3 | -155.8 | 76.8 | 0 | 0 | 0 | 113 | V26 V27 F30 S211 F212 F217 N218 F221 | V26-L215 HydrophobicContact CG1-CD1 4.45Å; V27-L215 HydrophobicContact CG2-CD1 4.06Å; F30-L215 HydrophobicContact CB-CD1 4.01Å; F30-L215 HydrophobicContact CB-CD2 4.24Å; F30-L215 HydrophobicContact CD1-CD2 3.43Å; F30-L215 VanDerWaalsContact CD1-CD2 3.43Å; F30-L215 HydrophobicContact CD2-CB 4.16Å; F30-L215 HydrophobicContact CD2-CD1 4.24Å; F30-L215 HydrophobicContact CD2-CD2 3.67Å; F30-L215 HydrophobicContact CD2-CG 4.24Å; F30-L215 HydrophobicContact CE1-CD2 3.55Å; F30-L215 HydrophobicContact CE2-CB 4.19Å; F30-L215 HydrophobicContact CE2-CD2 3.76Å; F30-L215 HydrophobicContact CG-CD1 4.09Å; F30-L215 HydrophobicContact CG-CD2 3.49Å; F30-L215 VanDerWaalsContact CG-CD2 3.49Å; F30-L215 HydrophobicContact CG-CG 4.28Å; F30-L215 HydrophobicContact CZ-CD2 3.71Å; S211-L215 WeakPolarHBondContact O-CB 3.4Å; S211-L215 PolarHBondContact O-N 3.07Å; F212-L215 PolarHBondContact O-N 3.01Å; L215-F217 PolarHBondContact O-N 3.4Å; L215-F217 VanDerWaalsContact O-N 3.12Å; L215-N218 HydrophobicContact CD1-CB 4.15Å; L215-N218 HydrophobicContact CG-CB 4.41Å; L215-N218 VanDerWaalsContact O-CB 3.31Å; L215-N218 WeakPolarHBondContact O-CB 3.46Å; L215-N218 PolarHBondContact O-N 3.46Å; L215-F221 HydrophobicContact CD2-CB 4.15Å; L215-F221 HydrophobicContact CD2-CD1 4.04Å; L215-F221 HydrophobicContact CD2-CD2 3.21Å; L215-F221 HydrophobicContact CD2-CE1 4.27Å; L215-F221 HydrophobicContact CD2-CE2 3.49Å; L215-F221 VanDerWaalsContact CD2-CE2 3.49Å; L215-F221 HydrophobicContact CD2-CG 3.52Å; L215-F221 HydrophobicContact CD2-CZ 4.02Å; L215-F221 HydrophobicContact CG-CB 3.94Å; L215-F221 HydrophobicContact CG-CD1 4.14Å; L215-F221 HydrophobicContact CG-CD2 3.96Å; L215-F221 HydrophobicContact CG-CG 3.73Å |
| 216 | R | 83.9 | Confident | 91.3 | Very high | 188 Ų | 188 | 68.3 Ų | 68.3 | 71% | 0.709 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.4 | 175 | -168.1 | 176.6 | 171.9 | -173 | -3.6 | 112.6 | F212 L214 | F212-R216 PolarHBondContact O-N 3.28Å; L214-R216 PolarHBondContact O-N 3.01Å |
| 217 | F | 86.8 | Confident | 90.9 | Very high | 159 Ų | 159 | 68.7 Ų | 68.7 | 70% | 0.697 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -14.3 | 175.9 | -56.9 | -72.6 | 0 | 0 | 0 | 113.4 | L213 L214 L215 R219 | L213-F217 WeakPolarHBondContact O-CD2 3.12Å; L213-F217 WeakPolarHBondContact O-CE2 2.93Å; L214-F217 WeakPolarHBondContact O-CB 3.42Å; L214-F217 PolarHBondContact O-N 3.3Å; L215-F217 PolarHBondContact O-N 3.4Å; L215-F217 VanDerWaalsContact O-N 3.12Å; F217-R219 PolarHBondContact O-N 3.08Å |
| 218 | N | 90.2 | Very high | 90.4 | Very high | 38 Ų | 38 | 67.4 Ų | 67.4 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | trans | -68.6 | 123.6 | 179.2 | -175.6 | -66.9 | 0 | 0 | 0 | 110.8 | L215 Y220 F221 R222 | L215-N218 HydrophobicContact CD1-CB 4.15Å; L215-N218 HydrophobicContact CG-CB 4.41Å; L215-N218 VanDerWaalsContact O-CB 3.31Å; L215-N218 WeakPolarHBondContact O-CB 3.46Å; L215-N218 PolarHBondContact O-N 3.46Å; N218-Y220 PolarHBondContact O-N 3.02Å; N218-Y220 WeakPolarHBondContact OD1-CA 3.27Å; N218-Y220 WeakPolarHBondContact OD1-CB 3.39Å; N218-Y220 PolarHBondContact OD1-N 3.42Å; N218-F221 HydrophobicContact CB-CB 4.07Å; N218-F221 PolarHBondContact O-N 3.34Å; N218-F221 PolarHBondContact OD1-N 2.86Å; N218-R222 VanDerWaalsContact O-CB 3.3Å; N218-R222 WeakPolarHBondContact O-CB 3.26Å; N218-R222 PolarHBondContact O-N 3.18Å | ||
| 219 | R | 88.9 | Confident | 89.8 | Confident | 171 Ų | 171 | 69.4 Ų | 69.4 | 65% | 0.645 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | -176.8 | -66.7 | -178 | 179.5 | -176.4 | -1.7 | 112.7 | F217 R222 T223 | F217-R219 PolarHBondContact O-N 3.08Å; R219-R222 PolarHBondContact O-N 3.49Å; R219-T223 WeakPolarHBondContact O-CB 3.38Å; R219-T223 PolarHBondContact O-N 2.72Å; R219-T223 PolarHBondContact O-OG1 3.24Å; R219-T223 VanDerWaalsContact O-OG1 3.12Å |
| 220 | Y | 90.4 | Very high | 89.3 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.1 | -47.2 | -180 | 174.8 | -108.9 | 0 | 0 | 0 | 111 | R20 D22 V27 F157 Y161 N218 T223 N224 | R20-Y220 HydrophobicContact CB-CD2 4.27Å; R20-Y220 WeakPolarHBondContact O-CD2 3.5Å; R20-Y220 WeakPolarHBondContact O-CE2 3.44Å; D22-Y220 HydrophobicContact CB-CD1 3.73Å; D22-Y220 HydrophobicContact CB-CE1 3.66Å; D22-Y220 HydrophobicContact CB-CG 4.3Å; V27-Y220 HydrophobicContact CB-CD1 3.99Å; V27-Y220 HydrophobicContact CB-CE1 4.22Å; V27-Y220 HydrophobicContact CG1-CD1 4.43Å; V27-Y220 HydrophobicContact CG1-CE1 4.37Å; V27-Y220 HydrophobicContact CG2-CD1 3.62Å; V27-Y220 HydrophobicContact CG2-CE1 4.32Å; F157-Y220 AromaticContact CD1-CE1 3.83Å; F157-Y220 HydrophobicContact CD1-CE1 3.83Å; F157-Y220 HydrophobicContact CE1-CD1 4.35Å; F157-Y220 AromaticContact CE1-CE1 3.94Å; F157-Y220 HydrophobicContact CE1-CE1 3.94Å; Y161-Y220 HydrophobicContact CE2-CE1 4.48Å; Y161-Y220 AromaticContact CZ-CE1 3.92Å; Y161-Y220 WeakPolarHBondContact OH-CE1 3.27Å; N218-Y220 PolarHBondContact O-N 3.02Å; N218-Y220 WeakPolarHBondContact OD1-CA 3.27Å; N218-Y220 WeakPolarHBondContact OD1-CB 3.39Å; N218-Y220 PolarHBondContact OD1-N 3.42Å; Y220-T223 PolarHBondContact O-N 3.25Å; Y220-N224 VanDerWaalsContact CD2-ND2 3.25Å; Y220-N224 WeakPolarHBondContact CD2-ND2 3.26Å; Y220-N224 WeakPolarHBondContact CE2-ND2 3.37Å; Y220-N224 PolarHBondContact O-N 3.26Å; Y220-N224 PolarHBondContact O-ND2 3.31Å |
| 221 | F | 92.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -52.1 | 174.9 | -179.7 | -98.4 | 0 | 0 | 0 | 111.2 | V27 L96 L153 F157 L215 N218 T223 N224 Y225 | V27-F221 HydrophobicContact CG1-CD2 4.34Å; V27-F221 HydrophobicContact CG2-CB 3.99Å; L96-F221 HydrophobicContact CD2-CZ 4.06Å; L153-F221 HydrophobicContact CD1-CE2 4.07Å; L153-F221 HydrophobicContact CD1-CZ 3.94Å; L153-F221 HydrophobicContact CD2-CE2 3.9Å; L153-F221 HydrophobicContact CD2-CZ 3.88Å; L153-F221 HydrophobicContact CG-CE2 4.17Å; L153-F221 HydrophobicContact CG-CZ 4.34Å; F157-F221 HydrophobicContact CE1-CD2 4.21Å; F157-F221 AromaticContact CE2-CD2 3.95Å; F157-F221 HydrophobicContact CE2-CD2 3.95Å; F157-F221 AromaticContact CE2-CE2 3.88Å; F157-F221 HydrophobicContact CE2-CE2 3.88Å; F157-F221 AromaticContact CZ-CD2 3.35Å; F157-F221 HydrophobicContact CZ-CD2 3.35Å; F157-F221 AromaticContact CZ-CE2 3.75Å; F157-F221 HydrophobicContact CZ-CE2 3.75Å; F157-F221 HydrophobicContact CZ-CG 4.18Å; L215-F221 HydrophobicContact CD2-CB 4.15Å; L215-F221 HydrophobicContact CD2-CD1 4.04Å; L215-F221 HydrophobicContact CD2-CD2 3.21Å; L215-F221 HydrophobicContact CD2-CE1 4.27Å; L215-F221 HydrophobicContact CD2-CE2 3.49Å; L215-F221 VanDerWaalsContact CD2-CE2 3.49Å; L215-F221 HydrophobicContact CD2-CG 3.52Å; L215-F221 HydrophobicContact CD2-CZ 4.02Å; L215-F221 HydrophobicContact CG-CB 3.94Å; L215-F221 HydrophobicContact CG-CD1 4.14Å; L215-F221 HydrophobicContact CG-CD2 3.96Å; L215-F221 HydrophobicContact CG-CG 3.73Å; N218-F221 HydrophobicContact CB-CB 4.07Å; N218-F221 PolarHBondContact O-N 3.34Å; N218-F221 PolarHBondContact OD1-N 2.86Å; F221-T223 VanDerWaalsContact C-N 3.34Å; F221-T223 PolarHBondContact O-N 3.35Å; F221-N224 PolarHBondContact O-N 3.2Å; F221-Y225 HydrophobicContact CE1-CG 4.38Å; F221-Y225 HydrophobicContact CZ-CG 4.45Å; F221-Y225 WeakPolarHBondContact O-CB 3.27Å; F221-Y225 PolarHBondContact O-N 2.92Å |
| 222 | R | 90.6 | Very high | 88 | Confident | 111 Ų | 111 | 67.4 Ų | 67.4 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | -176.7 | -169.9 | 176.6 | 73.8 | 179.6 | 5.2 | 112.9 | N218 R219 R226 | N218-R222 VanDerWaalsContact O-CB 3.3Å; N218-R222 WeakPolarHBondContact O-CB 3.26Å; N218-R222 PolarHBondContact O-N 3.18Å; R219-R222 PolarHBondContact O-N 3.49Å; R222-R226 HydrophobicContact CG-CG 4.48Å; R222-R226 VanDerWaalsContact O-CB 3.28Å; R222-R226 WeakPolarHBondContact O-CB 3.39Å; R222-R226 VanDerWaalsContact O-CG 3.24Å; R222-R226 WeakPolarHBondContact O-CG 3.25Å; R222-R226 PolarHBondContact O-N 2.95Å |
| 223 | T | 89.1 | Confident | 87.5 | Confident | 29 Ų | 29 | 72 Ų | 72 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.5 | -50.4 | 179.7 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | R219 Y220 F221 R226 F227 | R219-T223 WeakPolarHBondContact O-CB 3.38Å; R219-T223 PolarHBondContact O-N 2.72Å; R219-T223 PolarHBondContact O-OG1 3.24Å; R219-T223 VanDerWaalsContact O-OG1 3.12Å; Y220-T223 PolarHBondContact O-N 3.25Å; F221-T223 VanDerWaalsContact C-N 3.34Å; F221-T223 PolarHBondContact O-N 3.35Å; T223-R226 PolarHBondContact O-N 2.87Å; T223-F227 WeakPolarHBondContact O-CB 3.46Å; T223-F227 PolarHBondContact O-N 3.44Å |
| 224 | N | 88.8 | Confident | 87.2 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 180 | -68.7 | -74.5 | 0 | 0 | 0 | 111.8 | F157 Y220 F221 R226 F227 A228 | F157-N224 HydrophobicContact CD1-CB 4.02Å; F157-N224 HydrophobicContact CE1-CB 3.54Å; F157-N224 HydrophobicContact CZ-CB 3.95Å; Y220-N224 VanDerWaalsContact CD2-ND2 3.25Å; Y220-N224 WeakPolarHBondContact CD2-ND2 3.26Å; Y220-N224 WeakPolarHBondContact CE2-ND2 3.37Å; Y220-N224 PolarHBondContact O-N 3.26Å; Y220-N224 PolarHBondContact O-ND2 3.31Å; F221-N224 PolarHBondContact O-N 3.2Å; N224-R226 PolarHBondContact O-N 3.47Å; N224-F227 PolarHBondContact O-N 3.46Å; N224-A228 WeakPolarHBondContact O-CB 3.35Å; N224-A228 PolarHBondContact O-N 3.44Å |
| 225 | Y | 89.2 | Confident | 86.4 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 13% | 0.125 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.9 | 179.3 | -108.9 | 0 | 0 | 0 | 112.3 | L96 L153 F221 A228 I229 | L96-Y225 HydrophobicContact CD1-CD1 4.08Å; L96-Y225 HydrophobicContact CD1-CE1 3.37Å; L96-Y225 HydrophobicContact CD1-CE2 4.13Å; L96-Y225 VanDerWaalsContact CD1-CZ 3.42Å; L96-Y225 HydrophobicContact CD2-CE2 4.26Å; L96-Y225 HydrophobicContact CG-CE1 4.11Å; L96-Y225 HydrophobicContact CG-CE2 4.02Å; L96-Y225 WeakPolarHBondContact CG-OH 3.25Å; L153-Y225 HydrophobicContact CD1-CD2 3.53Å; L153-Y225 HydrophobicContact CD1-CE2 3.78Å; F221-Y225 HydrophobicContact CE1-CG 4.38Å; F221-Y225 HydrophobicContact CZ-CG 4.45Å; F221-Y225 WeakPolarHBondContact O-CB 3.27Å; F221-Y225 PolarHBondContact O-N 2.92Å; Y225-A228 PolarHBondContact O-N 2.96Å; Y225-I229 HydrophobicContact CD1-CD1 3.7Å; Y225-I229 HydrophobicContact CE1-CD1 3.11Å; Y225-I229 HydrophobicContact CE1-CG1 4.18Å; Y225-I229 HydrophobicContact CE2-CD1 4.04Å; Y225-I229 HydrophobicContact CE2-CG1 4.29Å; Y225-I229 HydrophobicContact CG-CD1 4.36Å; Y225-I229 WeakPolarHBondContact O-CG1 3.49Å; Y225-I229 PolarHBondContact O-N 3.48Å |
| 226 | R | 88.2 | Confident | 85.9 | Confident | 160 Ų | 160 | 72.2 Ų | 72.2 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 175.9 | -79.3 | -177.6 | 179 | -152 | -1.1 | 112 | R222 T223 N224 A228 I229 S230 | R222-R226 HydrophobicContact CG-CG 4.48Å; R222-R226 VanDerWaalsContact O-CB 3.28Å; R222-R226 WeakPolarHBondContact O-CB 3.39Å; R222-R226 VanDerWaalsContact O-CG 3.24Å; R222-R226 WeakPolarHBondContact O-CG 3.25Å; R222-R226 PolarHBondContact O-N 2.95Å; T223-R226 PolarHBondContact O-N 2.87Å; N224-R226 PolarHBondContact O-N 3.47Å; R226-A228 VanDerWaalsContact C-N 3.32Å; R226-A228 PolarHBondContact O-N 3.45Å; R226-I229 PolarHBondContact O-N 2.9Å; R226-S230 PolarHBondContact O-N 3.19Å; R226-S230 PolarHBondContact O-OG 3.33Å |
| 227 | F | 87.3 | Confident | 85.7 | Confident | 64 Ų | 64 | 66.6 Ų | 66.6 | 28% | 0.281 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 176.4 | 178.5 | -96.6 | 0 | 0 | 0 | 111.9 | Y15 T223 N224 S230 T231 | Y15-F227 AromaticContact CD1-CD2 3.49Å; Y15-F227 HydrophobicContact CD1-CD2 3.49Å; Y15-F227 VanDerWaalsContact CD1-CD2 3.49Å; Y15-F227 HydrophobicContact CD1-CE2 4.02Å; Y15-F227 HydrophobicContact CD1-CG 4.34Å; Y15-F227 HydrophobicContact CD2-CD2 4.18Å; Y15-F227 HydrophobicContact CD2-CE2 4.04Å; Y15-F227 AromaticContact CE1-CD2 3.74Å; Y15-F227 HydrophobicContact CE1-CD2 3.74Å; Y15-F227 HydrophobicContact CE2-CD2 4.42Å; Y15-F227 AromaticContact CG-CD2 3.73Å; Y15-F227 HydrophobicContact CG-CD2 3.73Å; Y15-F227 AromaticContact CG-CE2 3.75Å; Y15-F227 HydrophobicContact CG-CE2 3.75Å; T223-F227 WeakPolarHBondContact O-CB 3.46Å; T223-F227 PolarHBondContact O-N 3.44Å; N224-F227 PolarHBondContact O-N 3.46Å; F227-S230 PolarHBondContact O-N 3.24Å; F227-S230 PolarHBondContact O-OG 3.01Å; F227-T231 WeakPolarHBondContact O-CB 3.01Å; F227-T231 PolarHBondContact O-N 2.83Å; F227-T231 VanDerWaalsContact O-N 3.11Å; F227-T231 PolarHBondContact O-OG1 3.07Å |
| 228 | A | 86.9 | Confident | 85.3 | Confident | 16 Ų | 16 | 64 Ų | 64 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D156 N224 Y225 R226 E232 R405 | D156-A228 HydrophobicContact CB-CB 3.88Å; D156-A228 VanDerWaalsContact CG-CB 3.44Å; D156-A228 WeakPolarHBondContact OD1-CB 3.32Å; N224-A228 WeakPolarHBondContact O-CB 3.35Å; N224-A228 PolarHBondContact O-N 3.44Å; Y225-A228 PolarHBondContact O-N 2.96Å; R226-A228 VanDerWaalsContact C-N 3.32Å; R226-A228 PolarHBondContact O-N 3.45Å; A228-E232 PolarHBondContact O-N 3.32Å; A228-R405 VanDerWaalsContact CB-NH2 3.3Å |
| 229 | I | 86 | Confident | 84.4 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 174.1 | -67.7 | 165.4 | 0 | 0 | 0 | 111.6 | Y225 R226 T231 E232 E233 | Y225-I229 HydrophobicContact CD1-CD1 3.7Å; Y225-I229 HydrophobicContact CE1-CD1 3.11Å; Y225-I229 HydrophobicContact CE1-CG1 4.18Å; Y225-I229 HydrophobicContact CE2-CD1 4.04Å; Y225-I229 HydrophobicContact CE2-CG1 4.29Å; Y225-I229 HydrophobicContact CG-CD1 4.36Å; Y225-I229 WeakPolarHBondContact O-CG1 3.49Å; Y225-I229 PolarHBondContact O-N 3.48Å; R226-I229 PolarHBondContact O-N 2.9Å; I229-T231 VanDerWaalsContact C-N 3.26Å; I229-T231 PolarHBondContact O-N 3.15Å; I229-E232 WeakPolarHBondContact O-CA 3.48Å; I229-E232 WeakPolarHBondContact O-CB 3.31Å; I229-E232 PolarHBondContact O-N 3.45Å; I229-E233 HydrophobicContact CG2-CG 4.06Å; I229-E233 PolarHBondContact O-N 3.05Å |
| 230 | S | 85.8 | Confident | 83.7 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | -176.8 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | R226 F227 E232 E233 E234 | R226-S230 PolarHBondContact O-N 3.19Å; R226-S230 PolarHBondContact O-OG 3.33Å; F227-S230 PolarHBondContact O-N 3.24Å; F227-S230 PolarHBondContact O-OG 3.01Å; S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 3.22Å; S230-E233 PolarHBondContact O-N 3.38Å; S230-E234 WeakPolarHBondContact O-CB 3.5Å; S230-E234 WeakPolarHBondContact O-CG 3.22Å; S230-E234 PolarHBondContact O-N 2.91Å |
| 231 | T | 83.8 | Confident | 82.9 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 175.2 | -50.5 | 0 | 0 | 0 | 0 | 112 | F227 I229 S235 K402 | F227-T231 WeakPolarHBondContact O-CB 3.01Å; F227-T231 PolarHBondContact O-N 2.83Å; F227-T231 VanDerWaalsContact O-N 3.11Å; F227-T231 PolarHBondContact O-OG1 3.07Å; I229-T231 VanDerWaalsContact C-N 3.26Å; I229-T231 PolarHBondContact O-N 3.15Å; T231-S235 PolarHBondContact O-N 2.97Å; T231-S235 PolarHBondContact O-OG 3.23Å; T231-K402 HydrophobicContact CG2-CG 4.04Å |
| 232 | E | 79.9 | Confident | 81.8 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 25% | 0.252 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.9 | -42.7 | 177.1 | -166.7 | -172.3 | 150.3 | 0 | 0 | 111.9 | A228 I229 S230 S235 K236 R405 | A228-E232 PolarHBondContact O-N 3.32Å; I229-E232 WeakPolarHBondContact O-CA 3.48Å; I229-E232 WeakPolarHBondContact O-CB 3.31Å; I229-E232 PolarHBondContact O-N 3.45Å; S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 3.22Å; E232-S235 PolarHBondContact O-N 3.41Å; E232-K236 PolarHBondContact O-N 3.12Å; E232-K236 WeakPolarHBondContact OE1-CE 3.23Å; E232-K236 IonicContact OE1-NZ 2.69Å; E232-K236 PolarHBondContact OE1-NZ 3.05Å; E232-R405 IonicContact OE2-CZ 3.82Å; E232-R405 IonicContact OE2-NH1 2.75Å; E232-R405 PolarHBondContact OE2-NH1 3.41Å |
| 233 | E | 82 | Confident | 80.4 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.7 | -43.2 | 179.4 | -76.1 | -177.9 | 165.2 | 0 | 0 | 112.6 | I229 S230 S235 K236 T237 | I229-E233 HydrophobicContact CG2-CG 4.06Å; I229-E233 PolarHBondContact O-N 3.05Å; S230-E233 PolarHBondContact O-N 3.38Å; E233-S235 PolarHBondContact O-N 3.48Å; E233-K236 PolarHBondContact O-N 2.92Å; E233-T237 WeakPolarHBondContact O-CB 3.36Å; E233-T237 PolarHBondContact O-N 3.34Å; E233-T237 PolarHBondContact O-OG1 3.26Å |
| 234 | E | 81.5 | Confident | 78.9 | Confident | 110 Ų | 110 | 79 Ų | 79 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 173.6 | -77.7 | 175.1 | -178.1 | 0 | 0 | 111.1 | S230 T237 Q238 | S230-E234 WeakPolarHBondContact O-CB 3.5Å; S230-E234 WeakPolarHBondContact O-CG 3.22Å; S230-E234 PolarHBondContact O-N 2.91Å; E234-T237 PolarHBondContact O-N 3.46Å; E234-Q238 WeakPolarHBondContact O-CG 3.5Å; E234-Q238 PolarHBondContact O-N 3.34Å |
| 235 | S | 75.8 | Confident | 77.2 | Confident | 14 Ų | 14 | 87.6 Ų | 87.6 | 10% | 0.098 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 179.8 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | T231 E232 E233 T237 Q238 L239 K402 | T231-S235 PolarHBondContact O-N 2.97Å; T231-S235 PolarHBondContact O-OG 3.23Å; E232-S235 PolarHBondContact O-N 3.41Å; E233-S235 PolarHBondContact O-N 3.48Å; S235-T237 VanDerWaalsContact C-N 3.26Å; S235-T237 PolarHBondContact O-N 2.95Å; S235-Q238 PolarHBondContact O-N 3.46Å; S235-L239 WeakPolarHBondContact O-CG 3.39Å; S235-L239 PolarHBondContact O-N 3.11Å; S235-K402 WeakPolarHBondContact OG-CD 3.36Å; S235-K402 WeakPolarHBondContact OG-CE 3.34Å; S235-K402 VanDerWaalsContact OG-CG 3.32Å; S235-K402 WeakPolarHBondContact OG-CG 3.34Å; S235-K402 PolarHBondContact OG-NZ 2.92Å |
| 236 | K | 76.7 | Confident | 75.6 | Confident | 105 Ų | 105 | 95 Ų | 95 | 46% | 0.457 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 173.8 | -74.8 | 177.9 | -174 | 163.9 | 0 | 111.1 | E232 E233 L239 L240 | E232-K236 PolarHBondContact O-N 3.12Å; E232-K236 WeakPolarHBondContact OE1-CE 3.23Å; E232-K236 IonicContact OE1-NZ 2.69Å; E232-K236 PolarHBondContact OE1-NZ 3.05Å; E233-K236 PolarHBondContact O-N 2.92Å; K236-L239 PolarHBondContact O-N 2.91Å; K236-L240 WeakPolarHBondContact O-CB 3.49Å; K236-L240 WeakPolarHBondContact O-CD1 3.37Å; K236-L240 VanDerWaalsContact O-CG 3.24Å; K236-L240 WeakPolarHBondContact O-CG 3.39Å; K236-L240 PolarHBondContact O-N 3.17Å |
| 237 | T | 80.4 | Confident | 74.2 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 178.3 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | E233 E234 S235 L240 R241 | E233-T237 WeakPolarHBondContact O-CB 3.36Å; E233-T237 PolarHBondContact O-N 3.34Å; E233-T237 PolarHBondContact O-OG1 3.26Å; E234-T237 PolarHBondContact O-N 3.46Å; S235-T237 VanDerWaalsContact C-N 3.26Å; S235-T237 PolarHBondContact O-N 2.95Å; T237-L240 PolarHBondContact O-N 3.07Å; T237-R241 WeakPolarHBondContact O-CG 3.29Å; T237-R241 PolarHBondContact O-N 3.5Å |
| 238 | Q | 76.7 | Confident | 73.3 | Confident | 105 Ų | 105 | 95.2 Ų | 95.2 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 173.1 | -77.4 | 178.3 | -24.2 | 0 | 0 | 111.9 | E234 S235 L240 R241 E242 | E234-Q238 WeakPolarHBondContact O-CG 3.5Å; E234-Q238 PolarHBondContact O-N 3.34Å; S235-Q238 PolarHBondContact O-N 3.46Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 3.24Å; Q238-R241 WeakPolarHBondContact O-CB 3.47Å; Q238-R241 PolarHBondContact O-N 3.22Å; Q238-E242 PolarHBondContact O-N 2.97Å; Q238-E242 VanDerWaalsContact O-N 3.14Å |
| 239 | L | 71.7 | Confident | 72.5 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 178.1 | -73.6 | 167.9 | 0 | 0 | 0 | 112.8 | S235 K236 G243 | S235-L239 WeakPolarHBondContact O-CG 3.39Å; S235-L239 PolarHBondContact O-N 3.11Å; K236-L239 PolarHBondContact O-N 2.91Å; L239-G243 PolarHBondContact O-N 3.12Å |
| 240 | L | 74.5 | Confident | 71.7 | Confident | 124 Ų | 124 | 104.9 Ų | 104.9 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 176.1 | -76.6 | 166.2 | 0 | 0 | 0 | 111.6 | K236 T237 Q238 E242 G243 T244 | K236-L240 WeakPolarHBondContact O-CB 3.49Å; K236-L240 WeakPolarHBondContact O-CD1 3.37Å; K236-L240 VanDerWaalsContact O-CG 3.24Å; K236-L240 WeakPolarHBondContact O-CG 3.39Å; K236-L240 PolarHBondContact O-N 3.17Å; T237-L240 PolarHBondContact O-N 3.07Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 3.24Å; L240-E242 PolarHBondContact O-N 2.92Å; L240-G243 PolarHBondContact O-N 3.06Å; L240-T244 PolarHBondContact O-N 2.94Å; L240-T244 PolarHBondContact O-OG1 3.46Å |
| 241 | R | 73.7 | Confident | 70.8 | Confident | 201 Ų | 201 | 104 Ų | 104 | 76% | 0.758 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -46 | 176.5 | -76.9 | 178.4 | 171.4 | -173.4 | -2.3 | 111.6 | T237 Q238 G243 T244 | T237-R241 WeakPolarHBondContact O-CG 3.29Å; T237-R241 PolarHBondContact O-N 3.5Å; Q238-R241 WeakPolarHBondContact O-CB 3.47Å; Q238-R241 PolarHBondContact O-N 3.22Å; R241-G243 VanDerWaalsContact C-N 3.29Å; R241-G243 PolarHBondContact O-N 2.92Å; R241-T244 PolarHBondContact O-OG1 2.86Å; R241-T244 VanDerWaalsContact O-OG1 3.06Å |
| 242 | E | 69.1 | Low | 70.1 | Confident | 154 Ų | 154 | 111.8 Ų | 111.8 | 72% | 0.72 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.6 | -27.2 | 176.9 | -67.4 | 176.2 | -178.8 | 0 | 0 | 113.1 | Q238 L240 | Q238-E242 PolarHBondContact O-N 2.97Å; Q238-E242 VanDerWaalsContact O-N 3.14Å; L240-E242 PolarHBondContact O-N 2.92Å |
| 243 | G | 61.2 | Low | 69.4 | Low | 12 Ų | 12 | 112.2 Ų | 112.2 | 12% | 0.124 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -83.4 | -12.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | L239 L240 R241 E245 R246 Q255 | L239-G243 PolarHBondContact O-N 3.12Å; L240-G243 PolarHBondContact O-N 3.06Å; R241-G243 VanDerWaalsContact C-N 3.29Å; R241-G243 PolarHBondContact O-N 2.92Å; G243-E245 PolarHBondContact O-N 2.98Å; G243-R246 PolarHBondContact O-N 3.47Å; G243-R246 VanDerWaalsContact O-N 3.17Å; G243-Q255 VanDerWaalsContact CA-NE2 3.29Å |
| 244 | T | 57.2 | Low | 68.9 | Low | 104 Ų | 104 | 115.3 Ų | 115.3 | 64% | 0.638 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -17.7 | -171.4 | -37.1 | 0 | 0 | 0 | 0 | 113.7 | L240 R241 | L240-T244 PolarHBondContact O-N 2.94Å; L240-T244 PolarHBondContact O-OG1 3.46Å; R241-T244 PolarHBondContact O-OG1 2.86Å; R241-T244 VanDerWaalsContact O-OG1 3.06Å |
| 245 | E | 54.6 | Low | 68.3 | Low | 193 Ų | 193 | 114.4 Ų | 114.4 | 90% | 0.902 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -5.7 | 179.4 | -69.3 | -154.9 | 153.9 | 0 | 0 | 115.7 | G243 | G243-E245 PolarHBondContact O-N 2.98Š|
| 246 | R | 53.7 | Low | 67.9 | Low | 187 Ų | 187 | 117.4 Ų | 117.4 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | trans | -130.1 | 85.1 | -170.1 | -133.5 | 171.2 | -172 | 172.4 | 3.2 | 113.6 | G243 S248 S251 | G243-R246 PolarHBondContact O-N 3.47Å; G243-R246 VanDerWaalsContact O-N 3.17Å; R246-S248 PolarHBondContact O-N 2.7Å; R246-S251 PolarHBondContact O-OG 2.96Å | ||
| 247 | N | 58.8 | Low | 67.9 | Low | 163 Ų | 163 | 115.6 Ų | 115.6 | 87% | 0.872 | 57% | 0.574 | S | S | * | * | trans | -79.7 | 10.3 | -173.4 | -86 | -19.5 | 0 | 0 | 0 | 117.5 | ||||
| 248 | S | 68.5 | Low | 67.8 | Low | 66 Ų | 66 | 118.3 Ų | 118.3 | 46% | 0.462 | 58% | 0.579 | S | S | . | * | trans | -79.7 | 140.1 | 178.6 | 74.6 | 0 | 0 | 0 | 0 | 112.1 | R246 C250 S251 R252 | R246-S248 PolarHBondContact O-N 2.7Å; S248-C250 PolarHBondContact O-N 3.47Å; S248-C250 VanDerWaalsContact O-N 3.12Å; S248-S251 WeakPolarHBondContact O-CB 3.32Å; S248-S251 PolarHBondContact O-N 3.29Å; S248-S251 PolarHBondContact O-OG 3.37Å; S248-S251 PolarHBondContact OG-N 3.47Å; S248-R252 PolarHBondContact O-N 3.08Å | ||
| 249 | F | 70 | Confident | 68 | Low | 173 Ų | 173 | 115.2 Ų | 115.2 | 76% | 0.759 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -52.1 | -37.8 | 175.8 | 178.4 | -99.6 | 0 | 0 | 0 | 112.4 | R252 C253 | F249-R252 WeakPolarHBondContact O-CB 3.45Å; F249-R252 PolarHBondContact O-N 2.96Å; F249-C253 PolarHBondContact O-N 3.35Å; F249-C253 VanDerWaalsContact O-N 3.1Å |
| 250 | C | 69.6 | Low | 68.6 | Low | 89 Ų | 89 | 112.5 Ų | 112.5 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.9 | -36.1 | 177.4 | -162.3 | 0 | 0 | 0 | 0 | 112.9 | S248 R252 R254 | S248-C250 PolarHBondContact O-N 3.47Å; S248-C250 VanDerWaalsContact O-N 3.12Å; C250-R252 VanDerWaalsContact C-N 3.28Å; C250-R252 PolarHBondContact O-N 2.96Å; C250-R254 WeakPolarHBondContact O-CB 3.29Å; C250-R254 PolarHBondContact O-N 3.39Å |
| 251 | S | 68.3 | Low | 69.1 | Low | 18 Ų | 18 | 111 Ų | 111 | 13% | 0.126 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 174.4 | 79.2 | 0 | 0 | 0 | 0 | 110.9 | R246 S248 R254 Q255 | R246-S251 PolarHBondContact O-OG 2.96Å; S248-S251 WeakPolarHBondContact O-CB 3.32Å; S248-S251 PolarHBondContact O-N 3.29Å; S248-S251 PolarHBondContact O-OG 3.37Å; S248-S251 PolarHBondContact OG-N 3.47Å; S251-R254 PolarHBondContact O-N 3.31Å; S251-Q255 WeakPolarHBondContact O-CB 3.08Å; S251-Q255 PolarHBondContact O-N 3.01Å |
| 252 | R | 67.2 | Low | 69.7 | Low | 189 Ų | 189 | 105.2 Ų | 105.2 | 71% | 0.713 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.3 | -43.6 | -176.8 | -159.2 | 173.1 | 172.1 | -177.1 | -2.3 | 111.9 | S248 F249 C250 Q255 A256 | S248-R252 PolarHBondContact O-N 3.08Å; F249-R252 WeakPolarHBondContact O-CB 3.45Å; F249-R252 PolarHBondContact O-N 2.96Å; C250-R252 VanDerWaalsContact C-N 3.28Å; C250-R252 PolarHBondContact O-N 2.96Å; R252-Q255 PolarHBondContact O-N 2.88Å; R252-A256 PolarHBondContact O-N 2.96Å |
| 253 | C | 67.2 | Low | 70.7 | Confident | 63 Ų | 63 | 98 Ų | 98 | 43% | 0.426 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 169.8 | -77 | 0 | 0 | 0 | 0 | 111.3 | F249 Q255 A256 V257 | F249-C253 PolarHBondContact O-N 3.35Å; F249-C253 VanDerWaalsContact O-N 3.1Å; C253-Q255 VanDerWaalsContact C-N 3.32Å; C253-Q255 PolarHBondContact O-N 3.14Å; C253-A256 PolarHBondContact O-N 3.48Å; C253-V257 WeakPolarHBondContact O-CB 3.41Å; C253-V257 VanDerWaalsContact O-CG2 3.29Å; C253-V257 WeakPolarHBondContact O-CG2 3.18Å; C253-V257 PolarHBondContact O-N 2.03Å |
| 254 | R | 69.9 | Low | 72.2 | Confident | 186 Ų | 186 | 100 Ų | 100 | 70% | 0.702 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -39.4 | 177.5 | -173 | 178.9 | -74.7 | -138.8 | -0.7 | 112 | C250 S251 V257 K258 | C250-R254 WeakPolarHBondContact O-CB 3.29Å; C250-R254 PolarHBondContact O-N 3.39Å; S251-R254 PolarHBondContact O-N 3.31Å; R254-V257 PolarHBondContact O-N 2.85Å; R254-K258 WeakPolarHBondContact O-CB 3.1Å; R254-K258 PolarHBondContact O-N 3.12Å |
| 255 | Q | 68.6 | Low | 73.9 | Confident | 92 Ų | 92 | 98.7 Ų | 98.7 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 175.7 | -90 | -179.9 | -21 | 0 | 0 | 113.3 | G243 S251 R252 C253 P259 | G243-Q255 VanDerWaalsContact CA-NE2 3.29Å; S251-Q255 WeakPolarHBondContact O-CB 3.08Å; S251-Q255 PolarHBondContact O-N 3.01Å; R252-Q255 PolarHBondContact O-N 2.88Å; C253-Q255 VanDerWaalsContact C-N 3.32Å; C253-Q255 PolarHBondContact O-N 3.14Å; Q255-P259 WeakPolarHBondContact O-CD 3.35Å |
| 256 | A | 68.9 | Low | 75.7 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 63% | 0.628 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.5 | -36.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R252 C253 | R252-A256 PolarHBondContact O-N 2.96Å; C253-A256 PolarHBondContact O-N 3.48Å |
| 257 | V | 76 | Confident | 77.7 | Confident | 68 Ų | 68 | 85.8 Ų | 85.8 | 41% | 0.412 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -84.1 | -32.3 | -176 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | C253 R254 L260 I261 | C253-V257 WeakPolarHBondContact O-CB 3.41Å; C253-V257 VanDerWaalsContact O-CG2 3.29Å; C253-V257 WeakPolarHBondContact O-CG2 3.18Å; C253-V257 PolarHBondContact O-N 2.03Å; R254-V257 PolarHBondContact O-N 2.85Å; V257-L260 WeakPolarHBondContact O-CB 3.44Å; V257-L260 PolarHBondContact O-N 3.04Å; V257-L260 VanDerWaalsContact O-N 3.09Å; V257-I261 HydrophobicContact CG1-CD1 3.52Å; V257-I261 HydrophobicContact CG1-CG1 3.83Å; V257-I261 PolarHBondContact O-N 3.18Å |
| 258 | K | 79.1 | Confident | 79.5 | Confident | 127 Ų | 127 | 84.8 Ų | 84.8 | 55% | 0.552 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56.8 | -49.1 | -176.3 | -178.7 | -178.4 | 177 | -168.9 | 0 | 113.6 | R254 L260 I261 E262 | R254-K258 WeakPolarHBondContact O-CB 3.1Å; R254-K258 PolarHBondContact O-N 3.12Å; K258-L260 PolarHBondContact O-N 3.24Å; K258-I261 PolarHBondContact O-N 3.38Å; K258-E262 WeakPolarHBondContact CE-OE1 3.36Å; K258-E262 WeakPolarHBondContact O-CG 3.4Å; K258-E262 PolarHBondContact O-N 3.3Å |
| 259 | P | 79.4 | Confident | 80.8 | Confident | 40 Ų | 40 | 85.1 Ų | 85.1 | 26% | 0.26 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.1 | -34.4 | 177.6 | -20 | 30.8 | 0 | 0 | 0 | 112.1 | Q255 E262 V263 | Q255-P259 WeakPolarHBondContact O-CD 3.35Å; P259-E262 PolarHBondContact O-N 3.26Å; P259-V263 VanDerWaalsContact O-CG2 3.3Å; P259-V263 WeakPolarHBondContact O-CG2 3.23Å; P259-V263 PolarHBondContact O-N 3.42Å |
| 260 | L | 84 | Confident | 82.1 | Confident | 38 Ų | 38 | 77 Ų | 77 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 179.7 | -163.3 | 83.2 | 0 | 0 | 0 | 111.5 | F88 V257 K258 E262 V263 I264 T406 M410 | F88-L260 HydrophobicContact CD1-CD1 3.44Å; F88-L260 VanDerWaalsContact CD1-CD1 3.44Å; F88-L260 HydrophobicContact CD1-CD2 3.26Å; F88-L260 HydrophobicContact CD1-CG 3.84Å; F88-L260 HydrophobicContact CE1-CD1 3.6Å; F88-L260 HydrophobicContact CE1-CD2 3.36Å; F88-L260 HydrophobicContact CE1-CG 3.75Å; F88-L260 HydrophobicContact CG-CD2 4.3Å; F88-L260 HydrophobicContact CZ-CD2 4.44Å; V257-L260 WeakPolarHBondContact O-CB 3.44Å; V257-L260 PolarHBondContact O-N 3.04Å; V257-L260 VanDerWaalsContact O-N 3.09Å; K258-L260 PolarHBondContact O-N 3.24Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-V263 PolarHBondContact O-N 2.99Å; L260-I264 HydrophobicContact CG-CD1 4.39Å; L260-I264 VanDerWaalsContact O-CG1 3.3Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 3.45Å; L260-T406 HydrophobicContact CD1-CG2 4.13Å; L260-M410 HydrophobicContact CB-CE 4.45Å; L260-M410 HydrophobicContact CD1-CE 3.14Å; L260-M410 HydrophobicContact CG-CE 3.44Å; L260-M410 VanDerWaalsContact CG-CE 3.44Å |
| 261 | I | 85.5 | Confident | 83.4 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 176 | -67.4 | 177.7 | 0 | 0 | 0 | 110.1 | V257 K258 V263 I264 C265 | V257-I261 HydrophobicContact CG1-CD1 3.52Å; V257-I261 HydrophobicContact CG1-CG1 3.83Å; V257-I261 PolarHBondContact O-N 3.18Å; K258-I261 PolarHBondContact O-N 3.38Å; I261-V263 PolarHBondContact O-N 3.46Å; I261-I264 PolarHBondContact O-N 3.17Å; I261-C265 WeakPolarHBondContact O-CB 3.37Å; I261-C265 PolarHBondContact O-N 3.05Å; I261-C265 PolarHBondContact O-SG 2.93Å; I261-C265 VanDerWaalsContact O-SG 3.35Å |
| 262 | E | 86.8 | Confident | 84.9 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 176.6 | -74.9 | 171.7 | -174.3 | 0 | 0 | 111.8 | K258 P259 L260 C265 Q266 | K258-E262 WeakPolarHBondContact CE-OE1 3.36Å; K258-E262 WeakPolarHBondContact O-CG 3.4Å; K258-E262 PolarHBondContact O-N 3.3Å; P259-E262 PolarHBondContact O-N 3.26Å; L260-E262 VanDerWaalsContact C-N 3.32Å; E262-C265 PolarHBondContact O-N 3.37Å; E262-Q266 WeakPolarHBondContact O-CG 3.06Å; E262-Q266 PolarHBondContact O-N 3.5Å |
| 263 | V | 89.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | P259 L260 I261 C265 Q266 V267 V399 Q403 A407 M410 | P259-V263 VanDerWaalsContact O-CG2 3.3Å; P259-V263 WeakPolarHBondContact O-CG2 3.23Å; P259-V263 PolarHBondContact O-N 3.42Å; L260-V263 PolarHBondContact O-N 2.99Å; I261-V263 PolarHBondContact O-N 3.46Å; V263-C265 VanDerWaalsContact C-N 3.31Å; V263-C265 PolarHBondContact O-N 2.79Å; V263-Q266 PolarHBondContact O-N 2.96Å; V263-Q266 VanDerWaalsContact O-N 3.13Å; V263-V267 HydrophobicContact CG1-CG2 4.15Å; V263-V267 WeakPolarHBondContact O-CG2 3.34Å; V263-V267 PolarHBondContact O-N 2.99Å; V263-V399 HydrophobicContact CG1-CG1 4.48Å; V263-Q403 HydrophobicContact CG2-CB 3.65Å; V263-Q403 HydrophobicContact CG2-CG 3.66Å; V263-A407 HydrophobicContact CG1-CB 3.82Å; V263-M410 HydrophobicContact CB-CE 4.25Å; V263-M410 HydrophobicContact CB-SD 4.35Å; V263-M410 HydrophobicContact CG1-CE 4.07Å; V263-M410 HydrophobicContact CG1-SD 3.6Å; V263-M410 VanDerWaalsContact CG1-SD 3.6Å |
| 264 | I | 92.5 | Very high | 87.8 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 179.3 | -69.8 | 167 | 0 | 0 | 0 | 110.4 | L260 I261 Q266 V267 K268 L271 M410 | L260-I264 HydrophobicContact CG-CD1 4.39Å; L260-I264 VanDerWaalsContact O-CG1 3.3Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 3.45Å; I261-I264 PolarHBondContact O-N 3.17Å; I264-Q266 VanDerWaalsContact C-N 3.29Å; I264-Q266 PolarHBondContact O-N 3.34Å; I264-V267 PolarHBondContact O-N 3.38Å; I264-K268 VanDerWaalsContact O-CA 3.29Å; I264-K268 WeakPolarHBondContact O-CA 3.35Å; I264-K268 VanDerWaalsContact O-CB 3.24Å; I264-K268 WeakPolarHBondContact O-CB 3.38Å; I264-K268 PolarHBondContact O-N 3.37Å; I264-L271 HydrophobicContact CG1-CD1 4.37Å; I264-L271 HydrophobicContact CG2-CD1 4.41Å; I264-M410 HydrophobicContact CD1-CE 4.13Å; I264-M410 HydrophobicContact CG1-CE 3.77Å; I264-M410 HydrophobicContact CG1-SD 3.77Å |
| 265 | C | 92.9 | Very high | 89.2 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -37.1 | 179.4 | -77.3 | 0 | 0 | 0 | 0 | 112.8 | I261 E262 V263 | I261-C265 WeakPolarHBondContact O-CB 3.37Å; I261-C265 PolarHBondContact O-N 3.05Å; I261-C265 PolarHBondContact O-SG 2.93Å; I261-C265 VanDerWaalsContact O-SG 3.35Å; E262-C265 PolarHBondContact O-N 3.37Å; V263-C265 VanDerWaalsContact C-N 3.31Å; V263-C265 PolarHBondContact O-N 2.79Å |
| 266 | Q | 93.4 | Very high | 90.6 | Very high | 107 Ų | 107 | 54.7 Ų | 54.7 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.9 | -39.5 | 177.9 | -72.2 | 179.6 | 6.4 | 0 | 0 | 112.6 | E262 V263 I264 V399 | E262-Q266 WeakPolarHBondContact O-CG 3.06Å; E262-Q266 PolarHBondContact O-N 3.5Å; V263-Q266 PolarHBondContact O-N 2.96Å; V263-Q266 VanDerWaalsContact O-N 3.13Å; I264-Q266 VanDerWaalsContact C-N 3.29Å; I264-Q266 PolarHBondContact O-N 3.34Å; Q266-V399 HydrophobicContact CB-CG1 4.28Å |
| 267 | V | 95.3 | Very high | 92 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -104.5 | 5.2 | -174.4 | -59.7 | 0 | 0 | 0 | 0 | 115 | V263 I264 Q269 Q270 L271 L395 L398 V399 | V263-V267 HydrophobicContact CG1-CG2 4.15Å; V263-V267 WeakPolarHBondContact O-CG2 3.34Å; V263-V267 PolarHBondContact O-N 2.99Å; I264-V267 PolarHBondContact O-N 3.38Å; V267-Q269 PolarHBondContact O-N 3.5Å; V267-Q270 WeakPolarHBondContact O-CA 3.36Å; V267-Q270 PolarHBondContact O-N 2.77Å; V267-L271 HydrophobicContact CG2-CD1 3.72Å; V267-L271 HydrophobicContact CG2-CD2 4.29Å; V267-L271 HydrophobicContact CG2-CG 3.77Å; V267-L271 PolarHBondContact O-N 3.39Å; V267-L395 HydrophobicContact CB-CD2 4.45Å; V267-L395 HydrophobicContact CB-CG 4.07Å; V267-L395 HydrophobicContact CG1-CD2 4.33Å; V267-L395 HydrophobicContact CG1-CG 4.19Å; V267-L395 HydrophobicContact CG2-CD2 4.47Å; V267-L395 HydrophobicContact CG2-CG 4.48Å; V267-L398 HydrophobicContact CG1-CB 4.08Å; V267-V399 HydrophobicContact CG1-CG1 3.47Å; V267-V399 VanDerWaalsContact CG1-CG1 3.47Å |
| 268 | K | 96.2 | Very high | 93.1 | Very high | 143 Ų | 143 | 49.3 Ų | 49.3 | 62% | 0.622 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -48.1 | -39.6 | -174.1 | 61 | -176.2 | -179.8 | 179 | 0 | 114.2 | I264 Q270 L271 F272 | I264-K268 VanDerWaalsContact O-CA 3.29Å; I264-K268 WeakPolarHBondContact O-CA 3.35Å; I264-K268 VanDerWaalsContact O-CB 3.24Å; I264-K268 WeakPolarHBondContact O-CB 3.38Å; I264-K268 PolarHBondContact O-N 3.37Å; K268-Q270 PolarHBondContact O-N 2.75Å; K268-L271 PolarHBondContact O-N 2.87Å; K268-F272 WeakPolarHBondContact O-CB 2.95Å; K268-F272 PolarHBondContact O-N 2.86Å |
| 269 | Q | 96.8 | Very high | 94 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 179 | -178 | 178.2 | -26.8 | 0 | 0 | 111.6 | V267 F272 N273 A334 R335 W338 | V267-Q269 PolarHBondContact O-N 3.5Å; Q269-F272 PolarHBondContact O-N 3.29Å; Q269-N273 PolarHBondContact O-N 3.5Å; Q269-N273 PolarHBondContact O-ND2 3.42Å; Q269-N273 PolarHBondContact O-OD1 3.31Å; Q269-A334 PolarHBondContact NE2-O 2.85Å; Q269-R335 PolarHBondContact NE2-O 3.05Å; Q269-W338 HydrophobicContact CG-CB 4.48Å |
| 270 | Q | 97.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.5 | -32.3 | 178.7 | -58.3 | -48.4 | -32.7 | 0 | 0 | 112.1 | V267 K268 N273 I274 A334 V391 L395 L398 | V267-Q270 WeakPolarHBondContact O-CA 3.36Å; V267-Q270 PolarHBondContact O-N 2.77Å; K268-Q270 PolarHBondContact O-N 2.75Å; Q270-N273 PolarHBondContact O-N 2.78Å; Q270-N273 PolarHBondContact OE1-ND2 3.28Å; Q270-I274 PolarHBondContact O-N 3.43Å; Q270-A334 PolarHBondContact NE2-O 3.36Å; Q270-V391 HydrophobicContact CB-CG1 4.13Å; Q270-V391 WeakPolarHBondContact O-CG1 3.19Å; Q270-L395 HydrophobicContact CB-CB 4.01Å; Q270-L395 HydrophobicContact CB-CD1 3.65Å; Q270-L395 HydrophobicContact CB-CG 3.95Å; Q270-L395 HydrophobicContact CG-CB 4.42Å; Q270-L398 HydrophobicContact CG-CD1 3.47Å; Q270-L398 VanDerWaalsContact CG-CD1 3.47Å |
| 271 | L | 97.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 170.9 | -65.8 | 178.6 | 0 | 0 | 0 | 111.6 | I264 V267 K268 I274 F275 L395 M410 F414 | I264-L271 HydrophobicContact CG1-CD1 4.37Å; I264-L271 HydrophobicContact CG2-CD1 4.41Å; V267-L271 HydrophobicContact CG2-CD1 3.72Å; V267-L271 HydrophobicContact CG2-CD2 4.29Å; V267-L271 HydrophobicContact CG2-CG 3.77Å; V267-L271 PolarHBondContact O-N 3.39Å; K268-L271 PolarHBondContact O-N 2.87Å; L271-I274 VanDerWaalsContact O-CG2 3.31Å; L271-I274 WeakPolarHBondContact O-CG2 3.33Å; L271-F275 WeakPolarHBondContact O-CB 3.13Å; L271-F275 PolarHBondContact O-N 3.04Å; L271-F275 VanDerWaalsContact O-N 3.13Å; L271-L395 HydrophobicContact CD2-CD1 3.87Å; L271-L395 HydrophobicContact CG-CD1 4.41Å; L271-M410 HydrophobicContact CD2-CB 3.89Å; L271-F414 HydrophobicContact CB-CD1 3.84Å; L271-F414 HydrophobicContact CB-CD2 4.44Å; L271-F414 HydrophobicContact CB-CE1 4.02Å; L271-F414 HydrophobicContact CB-CG 4.07Å; L271-F414 HydrophobicContact CB-CZ 4.39Å; L271-F414 HydrophobicContact CD1-CD2 4.44Å; L271-F414 HydrophobicContact CD1-CE2 4.11Å; L271-F414 HydrophobicContact CD1-CZ 4.23Å; L271-F414 HydrophobicContact CD2-CB 4.38Å; L271-F414 HydrophobicContact CD2-CD2 3.98Å; L271-F414 HydrophobicContact CD2-CE2 4.45Å; L271-F414 HydrophobicContact CD2-CG 4.12Å; L271-F414 WeakPolarHBondContact O-CD1 3.28Å |
| 272 | F | 98.1 | Very high | 96.1 | Very high | 89 Ų | 89 | 38.4 Ų | 38.4 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 171.4 | 173.6 | -99.8 | 0 | 0 | 0 | 111.2 | K268 Q269 I274 F275 F276 V342 | K268-F272 WeakPolarHBondContact O-CB 2.95Å; K268-F272 PolarHBondContact O-N 2.86Å; Q269-F272 PolarHBondContact O-N 3.29Å; F272-I274 PolarHBondContact O-N 3.49Å; F272-F275 PolarHBondContact O-N 3.38Å; F272-F276 HydrophobicContact CE1-CB 4.22Å; F272-F276 HydrophobicContact CE1-CG 4.39Å; F272-F276 HydrophobicContact CE2-CB 4.28Å; F272-F276 HydrophobicContact CE2-CD2 4.15Å; F272-F276 HydrophobicContact CE2-CG 4.39Å; F272-F276 HydrophobicContact CZ-CB 4.02Å; F272-F276 AromaticContact CZ-CD2 3.94Å; F272-F276 HydrophobicContact CZ-CD2 3.94Å; F272-F276 AromaticContact CZ-CG 3.91Å; F272-F276 HydrophobicContact CZ-CG 3.91Å; F272-F276 VanDerWaalsContact O-CB 3.31Å; F272-F276 WeakPolarHBondContact O-CB 3.07Å; F272-F276 PolarHBondContact O-N 2.66Å; F272-V342 HydrophobicContact CE1-CG2 3.91Å; F272-V342 HydrophobicContact CZ-CG2 4.33Å |
| 273 | N | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -49.2 | -178.6 | -72.3 | -17.8 | 0 | 0 | 0 | 112 | Q269 Q270 F276 I277 W338 V341 V391 | Q269-N273 PolarHBondContact O-N 3.5Å; Q269-N273 PolarHBondContact O-ND2 3.42Å; Q269-N273 PolarHBondContact O-OD1 3.31Å; Q270-N273 PolarHBondContact O-N 2.78Å; Q270-N273 PolarHBondContact OE1-ND2 3.28Å; N273-F276 PolarHBondContact O-N 3.42Å; N273-I277 WeakPolarHBondContact O-CB 3.37Å; N273-I277 WeakPolarHBondContact O-CD1 3.42Å; N273-I277 WeakPolarHBondContact O-CG1 3.41Å; N273-I277 PolarHBondContact O-N 2.97Å; N273-W338 VanDerWaalsContact OD1-CA 3.27Å; N273-W338 WeakPolarHBondContact OD1-CA 3.4Å; N273-W338 WeakPolarHBondContact OD1-CB 3.39Å; N273-V341 HydrophobicContact CB-CG1 4.37Å; N273-V341 HydrophobicContact CB-CG2 4.16Å; N273-V391 HydrophobicContact CB-CG2 3.68Å |
| 274 | I | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | -179.6 | -165.8 | 67.4 | 0 | 0 | 0 | 111.8 | Q270 L271 F272 F276 F278 T388 V391 M392 F414 L415 | Q270-I274 PolarHBondContact O-N 3.43Å; L271-I274 VanDerWaalsContact O-CG2 3.31Å; L271-I274 WeakPolarHBondContact O-CG2 3.33Å; F272-I274 PolarHBondContact O-N 3.49Å; I274-F276 VanDerWaalsContact C-N 3.34Å; I274-F276 PolarHBondContact O-N 2.73Å; I274-F278 HydrophobicContact CD1-CD2 3.9Å; I274-F278 HydrophobicContact CD1-CE2 3.64Å; I274-F278 HydrophobicContact CG1-CD2 4.19Å; I274-F278 HydrophobicContact CG1-CE2 4.32Å; I274-F278 WeakPolarHBondContact O-CD2 3.34Å; I274-F278 PolarHBondContact O-N 3.26Å; I274-T388 HydrophobicContact CD1-CG2 3.85Å; I274-V391 HydrophobicContact CB-CG1 3.83Å; I274-V391 HydrophobicContact CD1-CB 4.46Å; I274-V391 HydrophobicContact CD1-CG1 4.37Å; I274-M392 HydrophobicContact CD1-CE 3.88Å; I274-M392 HydrophobicContact CD1-CG 4.48Å; I274-M392 HydrophobicContact CG1-CE 3.91Å; I274-F414 HydrophobicContact CG2-CB 3.75Å; I274-L415 HydrophobicContact CD1-CD1 4.37Å; I274-L415 HydrophobicContact CG1-CB 3.84Å; I274-L415 HydrophobicContact CG1-CD1 4.42Å; I274-L415 HydrophobicContact CG1-CG 4.45Å |
| 275 | F | 98.5 | Very high | 97.1 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 19% | 0.189 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.4 | -50.5 | 174.5 | 163.8 | -95.9 | 0 | 0 | 0 | 110.9 | L271 F272 F278 F279 F414 L417 G418 C421 | L271-F275 WeakPolarHBondContact O-CB 3.13Å; L271-F275 PolarHBondContact O-N 3.04Å; L271-F275 VanDerWaalsContact O-N 3.13Å; F272-F275 PolarHBondContact O-N 3.38Å; F275-F278 PolarHBondContact O-N 3.08Å; F275-F279 HydrophobicContact CE1-CB 4.46Å; F275-F279 HydrophobicContact CZ-CB 4.41Å; F275-F279 HydrophobicContact CZ-CD2 4.4Å; F275-F279 VanDerWaalsContact O-CB 3.31Å; F275-F279 WeakPolarHBondContact O-CB 3.47Å; F275-F279 PolarHBondContact O-N 3.47Å; F275-F414 WeakPolarHBondContact CA-O 2.98Å; F275-F414 HydrophobicContact CB-CB 4.44Å; F275-F414 HydrophobicContact CB-CD1 4.15Å; F275-L417 HydrophobicContact CD2-CB 4.22Å; F275-L417 HydrophobicContact CD2-CD2 4.12Å; F275-L417 HydrophobicContact CD2-CG 3.93Å; F275-L417 HydrophobicContact CE2-CD2 4.3Å; F275-L417 HydrophobicContact CE2-CG 3.94Å; F275-G418 VanDerWaalsContact CD2-CA 3.46Å; F275-G418 WeakPolarHBondContact O-CA 3.46Å; F275-C421 HydrophobicContact CE2-CB 3.96Å; F275-C421 HydrophobicContact CZ-CB 4.19Å |
| 276 | F | 98.7 | Very high | 97.1 | Very high | 33 Ų | 33 | 32 Ų | 32 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.4 | -34.6 | -172.8 | -161.2 | -103 | 0 | 0 | 0 | 112.7 | F272 N273 I274 F279 V280 V341 A345 | F272-F276 HydrophobicContact CE1-CB 4.22Å; F272-F276 HydrophobicContact CE1-CG 4.39Å; F272-F276 HydrophobicContact CE2-CB 4.28Å; F272-F276 HydrophobicContact CE2-CD2 4.15Å; F272-F276 HydrophobicContact CE2-CG 4.39Å; F272-F276 HydrophobicContact CZ-CB 4.02Å; F272-F276 AromaticContact CZ-CD2 3.94Å; F272-F276 HydrophobicContact CZ-CD2 3.94Å; F272-F276 AromaticContact CZ-CG 3.91Å; F272-F276 HydrophobicContact CZ-CG 3.91Å; F272-F276 VanDerWaalsContact O-CB 3.31Å; F272-F276 WeakPolarHBondContact O-CB 3.07Å; F272-F276 PolarHBondContact O-N 2.66Å; N273-F276 PolarHBondContact O-N 3.42Å; I274-F276 VanDerWaalsContact C-N 3.34Å; I274-F276 PolarHBondContact O-N 2.73Å; F276-F279 HydrophobicContact CD2-CD1 4.25Å; F276-F279 HydrophobicContact CE2-CD1 4.08Å; F276-F279 HydrophobicContact CE2-CE1 4.47Å; F276-F279 PolarHBondContact O-N 3.12Å; F276-V280 HydrophobicContact CD1-CG2 4.12Å; F276-V280 HydrophobicContact CE1-CG2 3.77Å; F276-V280 HydrophobicContact CZ-CG2 4.06Å; F276-V280 WeakPolarHBondContact O-CG2 3.3Å; F276-V280 PolarHBondContact O-N 2.87Å; F276-V341 HydrophobicContact CB-CG1 3.93Å; F276-V341 HydrophobicContact CD1-CG1 3.86Å; F276-V341 WeakPolarHBondContact CD1-O 3.17Å; F276-V341 HydrophobicContact CG-CG1 4.37Å; F276-A345 HydrophobicContact CE1-CB 4.14Å; F276-A345 HydrophobicContact CZ-CB 4.01Å |
| 277 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.2 | -53.5 | 171.6 | -69.5 | 159.8 | 0 | 0 | 0 | 109.6 | N273 V280 T281 V341 L387 V391 | N273-I277 WeakPolarHBondContact O-CB 3.37Å; N273-I277 WeakPolarHBondContact O-CD1 3.42Å; N273-I277 WeakPolarHBondContact O-CG1 3.41Å; N273-I277 PolarHBondContact O-N 2.97Å; I277-V280 PolarHBondContact O-N 3.26Å; I277-T281 WeakPolarHBondContact O-CB 2.93Å; I277-T281 PolarHBondContact O-N 3.24Å; I277-T281 PolarHBondContact O-OG1 3.49Å; I277-V341 HydrophobicContact CD1-CG2 3.8Å; I277-V341 HydrophobicContact CG1-CB 4.39Å; I277-V341 HydrophobicContact CG1-CG1 3.86Å; I277-V341 HydrophobicContact CG1-CG2 3.74Å; I277-L387 HydrophobicContact CD1-CB 3.65Å; I277-L387 HydrophobicContact CG1-CB 4.29Å; I277-V391 HydrophobicContact CD1-CG2 4.03Å |
| 278 | F | 98 | Very high | 96.7 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.5 | -32.3 | -177.4 | -80.9 | -90.7 | 0 | 0 | 0 | 112.7 | I274 F275 T281 L282 T388 L415 V419 | I274-F278 HydrophobicContact CD1-CD2 3.9Å; I274-F278 HydrophobicContact CD1-CE2 3.64Å; I274-F278 HydrophobicContact CG1-CD2 4.19Å; I274-F278 HydrophobicContact CG1-CE2 4.32Å; I274-F278 WeakPolarHBondContact O-CD2 3.34Å; I274-F278 PolarHBondContact O-N 3.26Å; F275-F278 PolarHBondContact O-N 3.08Å; F278-T281 PolarHBondContact O-N 2.86Å; F278-L282 HydrophobicContact CB-CD2 4.3Å; F278-L282 HydrophobicContact CD1-CD2 3.66Å; F278-L282 HydrophobicContact CG-CD2 4.44Å; F278-L282 VanDerWaalsContact O-CB 3.32Å; F278-L282 WeakPolarHBondContact O-CB 3.39Å; F278-L282 VanDerWaalsContact O-CD2 3.31Å; F278-L282 WeakPolarHBondContact O-CD2 3.43Å; F278-L282 PolarHBondContact O-N 3.01Å; F278-T388 HydrophobicContact CE2-CG2 3.77Å; F278-T388 HydrophobicContact CZ-CG2 4.07Å; F278-L415 HydrophobicContact CD1-CD2 4.3Å; F278-L415 HydrophobicContact CD1-CG 4.08Å; F278-L415 HydrophobicContact CD2-CB 4.37Å; F278-L415 HydrophobicContact CD2-CD1 4.05Å; F278-L415 HydrophobicContact CD2-CG 3.65Å; F278-L415 HydrophobicContact CE1-CD1 4.16Å; F278-L415 HydrophobicContact CE1-CD2 4.22Å; F278-L415 HydrophobicContact CE1-CG 4.02Å; F278-L415 HydrophobicContact CE2-CD1 3.43Å; F278-L415 VanDerWaalsContact CE2-CD1 3.43Å; F278-L415 HydrophobicContact CE2-CG 3.57Å; F278-L415 HydrophobicContact CG-CG 3.91Å; F278-L415 HydrophobicContact CZ-CD1 3.49Å; F278-L415 VanDerWaalsContact CZ-CD1 3.49Å; F278-L415 HydrophobicContact CZ-CD2 4.37Å; F278-L415 HydrophobicContact CZ-CG 3.77Å; F278-V419 HydrophobicContact CB-CG2 4.21Å; F278-V419 HydrophobicContact CD1-CG2 3.75Å; F278-V419 HydrophobicContact CG-CG2 4.3Å |
| 279 | F | 98.5 | Very high | 96.6 | Very high | 33 Ų | 33 | 22 Ų | 22 | 15% | 0.145 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.5 | -54.7 | 170.9 | 172.4 | -96.7 | 0 | 0 | 0 | 111.3 | F275 F276 T283 I348 G418 C421 G422 F425 | F275-F279 HydrophobicContact CE1-CB 4.46Å; F275-F279 HydrophobicContact CZ-CB 4.41Å; F275-F279 HydrophobicContact CZ-CD2 4.4Å; F275-F279 VanDerWaalsContact O-CB 3.31Å; F275-F279 WeakPolarHBondContact O-CB 3.47Å; F275-F279 PolarHBondContact O-N 3.47Å; F276-F279 HydrophobicContact CD2-CD1 4.25Å; F276-F279 HydrophobicContact CE2-CD1 4.08Å; F276-F279 HydrophobicContact CE2-CE1 4.47Å; F276-F279 PolarHBondContact O-N 3.12Å; F279-T283 WeakPolarHBondContact O-CB 3.34Å; F279-T283 PolarHBondContact O-N 3.5Å; F279-T283 PolarHBondContact O-OG1 3.01Å; F279-I348 HydrophobicContact CE1-CD1 4.43Å; F279-G418 VanDerWaalsContact CA-O 3.31Å; F279-G418 WeakPolarHBondContact CA-O 3.44Å; F279-G418 PolarHBondContact N-O 3.29Å; F279-C421 HydrophobicContact CD2-CB 3.75Å; F279-C421 HydrophobicContact CE2-CB 4.23Å; F279-G422 VanDerWaalsContact O-CA 3.28Å; F279-G422 WeakPolarHBondContact O-CA 3.47Å; F279-F425 HydrophobicContact CE1-CD1 4.27Å; F279-F425 HydrophobicContact CE2-CB 3.7Å; F279-F425 HydrophobicContact CE2-CD1 4.25Å; F279-F425 HydrophobicContact CE2-CD2 4.37Å; F279-F425 AromaticContact CE2-CG 3.86Å; F279-F425 HydrophobicContact CE2-CG 3.86Å; F279-F425 HydrophobicContact CZ-CB 3.92Å; F279-F425 AromaticContact CZ-CD1 3.57Å; F279-F425 HydrophobicContact CZ-CD1 3.57Å; F279-F425 HydrophobicContact CZ-CD2 4.04Å; F279-F425 HydrophobicContact CZ-CE1 4.08Å; F279-F425 HydrophobicContact CZ-CE2 4.48Å; F279-F425 AromaticContact CZ-CG 3.56Å; F279-F425 HydrophobicContact CZ-CG 3.56Å |
| 280 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 178.6 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | F276 I277 L282 T283 I284 R344 I348 | F276-V280 HydrophobicContact CD1-CG2 4.12Å; F276-V280 HydrophobicContact CE1-CG2 3.77Å; F276-V280 HydrophobicContact CZ-CG2 4.06Å; F276-V280 WeakPolarHBondContact O-CG2 3.3Å; F276-V280 PolarHBondContact O-N 2.87Å; I277-V280 PolarHBondContact O-N 3.26Å; V280-L282 PolarHBondContact O-N 3.46Å; V280-T283 PolarHBondContact O-N 2.79Å; V280-I284 HydrophobicContact CG1-CD1 3.83Å; V280-I284 WeakPolarHBondContact O-CG1 3.39Å; V280-I284 PolarHBondContact O-N 3.31Å; V280-R344 HydrophobicContact CB-CB 4.32Å; V280-R344 HydrophobicContact CG1-CB 4Å; V280-R344 WeakPolarHBondContact CG1-O 3.49Å; V280-R344 HydrophobicContact CG2-CB 4.3Å; V280-I348 HydrophobicContact CG1-CG1 4.22Å; V280-I348 HydrophobicContact CG2-CD1 4.41Å |
| 281 | T | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.2 | -48.8 | -178.1 | -63 | 0 | 0 | 0 | 0 | 111.6 | I277 F278 I284 F285 F315 R344 M380 S384 | I277-T281 WeakPolarHBondContact O-CB 2.93Å; I277-T281 PolarHBondContact O-N 3.24Å; I277-T281 PolarHBondContact O-OG1 3.49Å; F278-T281 PolarHBondContact O-N 2.86Å; T281-I284 PolarHBondContact O-N 2.92Å; T281-F285 PolarHBondContact O-N 2.75Å; T281-F315 HydrophobicContact CG2-CE1 4.36Å; T281-F315 HydrophobicContact CG2-CE2 4.08Å; T281-F315 HydrophobicContact CG2-CZ 3.45Å; T281-F315 VanDerWaalsContact CG2-CZ 3.45Å; T281-R344 PolarHBondContact OG1-NH2 3.47Å; T281-M380 HydrophobicContact CG2-CE 4.22Å; T281-S384 PolarHBondContact OG1-OG 3.49Å |
| 282 | L | 96.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 23.9 Ų | 23.9 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -83 | -15.3 | -174.2 | -79.4 | -62.2 | 0 | 0 | 0 | 113.4 | F278 V280 F285 V419 V423 | F278-L282 HydrophobicContact CB-CD2 4.3Å; F278-L282 HydrophobicContact CD1-CD2 3.66Å; F278-L282 HydrophobicContact CG-CD2 4.44Å; F278-L282 VanDerWaalsContact O-CB 3.32Å; F278-L282 WeakPolarHBondContact O-CB 3.39Å; F278-L282 VanDerWaalsContact O-CD2 3.31Å; F278-L282 WeakPolarHBondContact O-CD2 3.43Å; F278-L282 PolarHBondContact O-N 3.01Å; V280-L282 PolarHBondContact O-N 3.46Å; L282-F285 WeakPolarHBondContact CA-O 3.22Å; L282-V419 HydrophobicContact CD2-CG2 4Å; L282-V419 HydrophobicContact CG-CB 4.3Å; L282-V419 HydrophobicContact CG-CG1 4.18Å; L282-V419 HydrophobicContact CG-CG2 4.04Å; L282-V423 HydrophobicContact CB-CG2 4.02Å; L282-V423 HydrophobicContact CD1-CG2 4.33Å; L282-V423 HydrophobicContact CG-CG2 4.4Å |
| 283 | T | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 164.7 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | F279 V280 M288 I348 G422 F425 T426 V429 | F279-T283 WeakPolarHBondContact O-CB 3.34Å; F279-T283 PolarHBondContact O-N 3.5Å; F279-T283 PolarHBondContact O-OG1 3.01Å; V280-T283 PolarHBondContact O-N 2.79Å; T283-M288 HydrophobicContact CG2-SD 4.38Å; T283-I348 HydrophobicContact CG2-CD1 4.25Å; T283-I348 HydrophobicContact CG2-CG1 4.33Å; T283-I348 HydrophobicContact CG2-CG2 4.45Å; T283-G422 WeakPolarHBondContact CA-O 3.31Å; T283-G422 PolarHBondContact OG1-O 3.43Å; T283-F425 HydrophobicContact CG2-CD1 3.67Å; T283-F425 HydrophobicContact CG2-CE1 4.39Å; T283-T426 WeakPolarHBondContact CA-OG1 3.42Å; T283-T426 PolarHBondContact O-OG1 2.91Å; T283-V429 HydrophobicContact CG2-CG2 3.77Å |
| 284 | I | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -100.2 | -49.9 | -168.3 | -58.9 | 165.1 | 0 | 0 | 0 | 111.8 | V280 T281 P286 A287 M288 M289 F347 I348 F351 M380 | V280-I284 HydrophobicContact CG1-CD1 3.83Å; V280-I284 WeakPolarHBondContact O-CG1 3.39Å; V280-I284 PolarHBondContact O-N 3.31Å; T281-I284 PolarHBondContact O-N 2.92Å; I284-P286 CarbonylContact O-C 3.5Å; I284-A287 PolarHBondContact O-N 2.8Å; I284-M288 HydrophobicContact CB-SD 4.34Å; I284-M288 HydrophobicContact CG1-SD 4.06Å; I284-M288 HydrophobicContact CG2-CB 4.43Å; I284-M288 WeakPolarHBondContact O-CA 3.44Å; I284-M288 WeakPolarHBondContact O-CB 3.43Å; I284-M288 PolarHBondContact O-N 3.12Å; I284-M289 HydrophobicContact CG2-CG 3.78Å; I284-M289 HydrophobicContact CG2-SD 4.28Å; I284-M289 PolarHBondContact O-N 3.36Å; I284-M289 VanDerWaalsContact O-N 3.08Å; I284-F347 HydrophobicContact CD1-CB 3.59Å; I284-I348 HydrophobicContact CD1-CB 4.49Å; I284-I348 HydrophobicContact CD1-CG1 3.84Å; I284-I348 HydrophobicContact CG1-CG1 4.11Å; I284-F351 HydrophobicContact CD1-CD2 4.07Å; I284-F351 HydrophobicContact CG2-CB 3.99Å; I284-F351 HydrophobicContact CG2-CD1 4.41Å; I284-F351 HydrophobicContact CG2-CD2 3.47Å; I284-F351 VanDerWaalsContact CG2-CD2 3.47Å; I284-F351 HydrophobicContact CG2-CE2 4.02Å; I284-F351 HydrophobicContact CG2-CG 3.71Å; I284-M380 HydrophobicContact CB-CE 3.56Å; I284-M380 HydrophobicContact CB-SD 4.08Å; I284-M380 HydrophobicContact CD1-CE 3.85Å; I284-M380 HydrophobicContact CD1-SD 3.94Å; I284-M380 HydrophobicContact CG1-CE 4.28Å; I284-M380 HydrophobicContact CG2-CE 3.79Å; I284-M380 HydrophobicContact CG2-SD 3.66Å |
| 285 | F | 95.3 | Very high | 94.3 | Very high | 25 Ų | 25 | 28.8 Ų | 28.8 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 130.3 | -177.6 | 175 | -92 | 0 | 0 | 0 | 111.4 | T281 L282 M289 F312 F315 M380 | T281-F285 PolarHBondContact O-N 2.75Å; L282-F285 WeakPolarHBondContact CA-O 3.22Å; F285-M289 HydrophobicContact CB-SD 4.22Å; F285-M289 HydrophobicContact CD2-SD 4.21Å; F285-F312 HydrophobicContact CE2-CD1 4.06Å; F285-F312 HydrophobicContact CE2-CE1 4.49Å; F285-F312 AromaticContact CZ-CD1 3.94Å; F285-F312 HydrophobicContact CZ-CD1 3.94Å; F285-F312 HydrophobicContact CZ-CE1 4.38Å; F285-F315 HydrophobicContact CB-CD2 4.06Å; F285-F315 HydrophobicContact CB-CE2 3.93Å; F285-F315 HydrophobicContact CB-CZ 4.28Å; F285-F315 AromaticContact CD1-CD1 3.79Å; F285-F315 HydrophobicContact CD1-CD1 3.79Å; F285-F315 HydrophobicContact CD1-CD2 4.49Å; F285-F315 AromaticContact CD1-CE1 3.74Å; F285-F315 HydrophobicContact CD1-CE1 3.74Å; F285-F315 HydrophobicContact CD1-CE2 4.44Å; F285-F315 HydrophobicContact CD1-CG 4.21Å; F285-F315 HydrophobicContact CD1-CZ 4.11Å; F285-F315 HydrophobicContact CD2-CB 3.83Å; F285-F315 AromaticContact CD2-CD1 3.95Å; F285-F315 HydrophobicContact CD2-CD1 3.95Å; F285-F315 AromaticContact CD2-CD2 3.82Å; F285-F315 HydrophobicContact CD2-CD2 3.82Å; F285-F315 HydrophobicContact CD2-CE2 4.44Å; F285-F315 AromaticContact CD2-CG 3.57Å; F285-F315 HydrophobicContact CD2-CG 3.57Å; F285-F315 AromaticContact CE1-CD1 3.72Å; F285-F315 HydrophobicContact CE1-CD1 3.72Å; F285-F315 AromaticContact CE1-CE1 3.96Å; F285-F315 HydrophobicContact CE1-CE1 3.96Å; F285-F315 HydrophobicContact CE1-CG 4.35Å; F285-F315 HydrophobicContact CE2-CB 3.66Å; F285-F315 AromaticContact CE2-CD1 3.88Å; F285-F315 HydrophobicContact CE2-CD1 3.88Å; F285-F315 HydrophobicContact CE2-CD2 4.44Å; F285-F315 AromaticContact CE2-CG 3.73Å; F285-F315 HydrophobicContact CE2-CG 3.73Å; F285-F315 AromaticContact CG-CD1 3.91Å; F285-F315 HydrophobicContact CG-CD1 3.91Å; F285-F315 AromaticContact CG-CD2 3.85Å; F285-F315 HydrophobicContact CG-CD2 3.85Å; F285-F315 HydrophobicContact CG-CE1 4.07Å; F285-F315 HydrophobicContact CG-CE2 4.01Å; F285-F315 AromaticContact CG-CG 3.83Å; F285-F315 HydrophobicContact CG-CG 3.83Å; F285-F315 HydrophobicContact CG-CZ 4.14Å; F285-F315 HydrophobicContact CZ-CB 4.28Å; F285-F315 AromaticContact CZ-CD1 3.77Å; F285-F315 HydrophobicContact CZ-CD1 3.77Å; F285-F315 HydrophobicContact CZ-CE1 4.46Å; F285-F315 HydrophobicContact CZ-CG 4.12Å; F285-M380 HydrophobicContact CB-CE 4.28Å |
| 286 | P | 92.5 | Very high | 93.7 | Very high | 52 Ų | 52 | 29.3 Ų | 29.3 | 34% | 0.338 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.1 | -13.7 | -4 | 34.3 | -34.7 | 0 | 0 | 0 | 113.4 | I284 M288 M289 A290 F312 | I284-P286 CarbonylContact O-C 3.5Å; P286-M288 PolarHBondContact O-N 3.17Å; P286-M289 PolarHBondContact O-N 3.01Å; P286-A290 WeakPolarHBondContact O-CB 3.48Å; P286-A290 PolarHBondContact O-N 3.24Å; P286-F312 HydrophobicContact CB-CE1 3.69Å; P286-F312 HydrophobicContact CB-CZ 3.96Å; P286-F312 HydrophobicContact CG-CE1 4.41Å |
| 287 | A | 88.9 | Confident | 92.9 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 34% | 0.339 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -38.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I284 N291 T426 | I284-A287 PolarHBondContact O-N 2.8Å; A287-N291 PolarHBondContact O-ND2 3.48Å; A287-T426 HydrophobicContact CB-CG2 3.62Å |
| 288 | M | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -50.2 | 173.1 | -61.7 | 175.5 | 64.4 | 0 | 0 | 110.8 | T283 I284 P286 A290 N291 I292 F351 L352 F356 T426 V429 | T283-M288 HydrophobicContact CG2-SD 4.38Å; I284-M288 HydrophobicContact CB-SD 4.34Å; I284-M288 HydrophobicContact CG1-SD 4.06Å; I284-M288 HydrophobicContact CG2-CB 4.43Å; I284-M288 WeakPolarHBondContact O-CA 3.44Å; I284-M288 WeakPolarHBondContact O-CB 3.43Å; I284-M288 PolarHBondContact O-N 3.12Å; P286-M288 PolarHBondContact O-N 3.17Å; M288-A290 VanDerWaalsContact C-N 3.31Å; M288-A290 PolarHBondContact O-N 3.22Å; M288-N291 PolarHBondContact O-N 3.22Å; M288-N291 VanDerWaalsContact O-N 3.12Å; M288-I292 PolarHBondContact O-N 2.71Å; M288-F351 HydrophobicContact CE-CB 4.05Å; M288-L352 HydrophobicContact CE-CB 4.03Å; M288-F356 HydrophobicContact CB-CD2 4.44Å; M288-F356 HydrophobicContact CB-CE2 4.33Å; M288-F356 HydrophobicContact CE-CD1 4.5Å; M288-F356 HydrophobicContact CG-CZ 4.41Å; M288-F356 WeakPolarHBondContact O-CD2 3.3Å; M288-T426 HydrophobicContact CG-CG2 4.38Å; M288-V429 HydrophobicContact CE-CG1 3.71Å; M288-V429 HydrophobicContact SD-CB 4.46Å; M288-V429 HydrophobicContact SD-CG1 3.8Å |
| 289 | M | 94.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -62.4 | -34.6 | -173.7 | -71.1 | -174.3 | 75.8 | 0 | 0 | 113.9 | I284 F285 P286 N291 I292 C311 F315 F351 F373 M380 | I284-M289 HydrophobicContact CG2-CG 3.78Å; I284-M289 HydrophobicContact CG2-SD 4.28Å; I284-M289 PolarHBondContact O-N 3.36Å; I284-M289 VanDerWaalsContact O-N 3.08Å; F285-M289 HydrophobicContact CB-SD 4.22Å; F285-M289 HydrophobicContact CD2-SD 4.21Å; P286-M289 PolarHBondContact O-N 3.01Å; M289-N291 PolarHBondContact O-N 3.26Å; M289-I292 PolarHBondContact O-N 3.38Å; M289-C311 HydrophobicContact CB-CB 4.06Å; M289-C311 WeakPolarHBondContact CB-SG 3.01Å; M289-F315 HydrophobicContact SD-CD2 4.32Å; M289-F351 HydrophobicContact CE-CE1 3.94Å; M289-F351 HydrophobicContact CE-CZ 4.25Å; M289-F351 HydrophobicContact CG-CD1 4.1Å; M289-F351 HydrophobicContact CG-CE1 4.08Å; M289-F351 HydrophobicContact SD-CE1 4.2Å; M289-F351 HydrophobicContact SD-CZ 4.27Å; M289-F373 HydrophobicContact CE-CE2 3.78Å; M289-F373 HydrophobicContact CE-CZ 4.03Å; M289-F373 HydrophobicContact CG-CE2 4.3Å; M289-M380 HydrophobicContact SD-SD 4.33Å |
| 290 | A | 91.6 | Very high | 91.5 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -70.3 | -20.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | P286 M288 S307 F312 | P286-A290 WeakPolarHBondContact O-CB 3.48Å; P286-A290 PolarHBondContact O-N 3.24Å; M288-A290 VanDerWaalsContact C-N 3.31Å; M288-A290 PolarHBondContact O-N 3.22Å; A290-S307 WeakPolarHBondContact CA-OG 3.2Å; A290-S307 PolarHBondContact O-OG 3.4Å; A290-S307 VanDerWaalsContact O-OG 3.13Å; A290-F312 HydrophobicContact CB-CE2 4.33Å; A290-F312 HydrophobicContact CB-CZ 4.33Å |
| 291 | N | 90.5 | Very high | 91.2 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -100.8 | 10.9 | 179.4 | -72.2 | -44.1 | 0 | 0 | 0 | 112.6 | A287 M288 M289 F356 Q357 | A287-N291 PolarHBondContact O-ND2 3.48Å; M288-N291 PolarHBondContact O-N 3.22Å; M288-N291 VanDerWaalsContact O-N 3.12Å; M289-N291 PolarHBondContact O-N 3.26Å; N291-F356 HydrophobicContact CB-CD2 3.79Å; N291-F356 HydrophobicContact CB-CE2 3.61Å; N291-Q357 PolarHBondContact O-N 3.37Å |
| 292 | I | 91.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 125 | 169 | -69.4 | 170.7 | 0 | 0 | 0 | 108.2 | M288 M289 Y306 F351 C354 N355 F356 F373 | M288-I292 PolarHBondContact O-N 2.71Å; M289-I292 PolarHBondContact O-N 3.38Å; I292-Y306 VanDerWaalsContact O-CE1 3.32Å; I292-Y306 WeakPolarHBondContact O-CE1 3.42Å; I292-F351 HydrophobicContact CD1-CD1 3.85Å; I292-C354 HydrophobicContact CD1-CB 3.78Å; I292-C354 HydrophobicContact CG1-CB 4.37Å; I292-N355 WeakPolarHBondContact CA-O 3.16Å; I292-F356 HydrophobicContact CG1-CB 3.9Å; I292-F373 HydrophobicContact CB-CE1 4.36Å; I292-F373 HydrophobicContact CB-CE2 4.23Å; I292-F373 HydrophobicContact CB-CZ 4.05Å; I292-F373 HydrophobicContact CD1-CD2 3.7Å; I292-F373 HydrophobicContact CD1-CE2 3.38Å; I292-F373 HydrophobicContact CD1-CZ 4.06Å; I292-F373 HydrophobicContact CG1-CE2 4.37Å; I292-F373 HydrophobicContact CG2-CD1 4.03Å; I292-F373 HydrophobicContact CG2-CD2 4.19Å; I292-F373 HydrophobicContact CG2-CE1 3.97Å; I292-F373 HydrophobicContact CG2-CE2 4.19Å; I292-F373 HydrophobicContact CG2-CG 4.12Å; I292-F373 HydrophobicContact CG2-CZ 4.07Å |
| 293 | E | 88 | Confident | 90.4 | Very high | 110 Ų | 110 | 52.4 Ų | 52.4 | 51% | 0.514 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 158 | 177.2 | -69.6 | -172.8 | 166.6 | 0 | 0 | 111.7 | S295 N355 Q357 | E293-S295 PolarHBondContact O-N 2.73Å; E293-N355 PolarHBondContact N-O 3.28Å; E293-N355 VanDerWaalsContact N-O 3.07Å; E293-N355 PolarHBondContact O-ND2 3.38Å; E293-Q357 HydrophobicContact CB-CG 4.09Å; E293-Q357 HydrophobicContact CG-CG 3.69Å |
| 294 | S | 90.4 | Very high | 90 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 26% | 0.259 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.7 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | S296 D370 | S294-S296 PolarHBondContact OG-O 3.01Å; S294-D370 PolarHBondContact OG-OD2 2.95Å |
| 295 | S | 86.9 | Confident | 89.8 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -85.3 | -20.3 | -178.8 | -44.7 | 0 | 0 | 0 | 0 | 112.1 | E293 N368 D370 | E293-S295 PolarHBondContact O-N 2.73Å; S295-N368 WeakPolarHBondContact CB-O 3.26Å; S295-D370 WeakPolarHBondContact CB-OD1 3.29Å; S295-D370 VanDerWaalsContact N-CG 3.35Å; S295-D370 PolarHBondContact N-OD1 3.18Å; S295-D370 PolarHBondContact N-OD2 3.02Å; S295-D370 VanDerWaalsContact N-OD2 3.11Å; S295-D370 PolarHBondContact OG-OD1 2.99Å |
| 296 | S | 85.3 | Confident | 89.7 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 37% | 0.371 | 36% | 0.361 | S | S | . | . | trans | -127.5 | 130.7 | -177.9 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | S294 D298 F299 D370 | S294-S296 PolarHBondContact OG-O 3.01Å; S296-D298 PolarHBondContact O-N 3.46Å; S296-D298 VanDerWaalsContact O-N 3.13Å; S296-F299 WeakPolarHBondContact O-CB 3.24Å; S296-F299 PolarHBondContact O-N 2.65Å; S296-D370 PolarHBondContact OG-OD2 2.91Å | ||
| 297 | S | 80.9 | Confident | 89.7 | Confident | 118 Ų | 118 | 60.5 Ų | 60.5 | 83% | 0.825 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.2 | 174.2 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | F299 | S297-F299 VanDerWaalsContact C-N 3.31Š|
| 298 | D | 86.3 | Confident | 89.8 | Confident | 146 Ų | 146 | 58.6 Ų | 58.6 | 78% | 0.781 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.9 | -173.2 | -54.5 | -14.9 | 0 | 0 | 0 | 112.4 | S296 | S296-D298 PolarHBondContact O-N 3.46Å; S296-D298 VanDerWaalsContact O-N 3.13Å |
| 299 | F | 89.5 | Confident | 90 | Very high | 21 Ų | 21 | 60 Ų | 60 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | trans | -64.9 | 138.2 | 177.6 | -168.8 | -113.6 | 0 | 0 | 0 | 110.4 | S296 S297 L301 Y306 M310 D370 W371 | S296-F299 WeakPolarHBondContact O-CB 3.24Å; S296-F299 PolarHBondContact O-N 2.65Å; S297-F299 VanDerWaalsContact C-N 3.31Å; F299-L301 HydrophobicContact CD1-CB 3.83Å; F299-L301 HydrophobicContact CD1-CG 4.47Å; F299-L301 HydrophobicContact CE1-CB 3.78Å; F299-L301 HydrophobicContact CE1-CD1 3.8Å; F299-L301 HydrophobicContact CE1-CG 3.99Å; F299-L301 HydrophobicContact CZ-CD1 4.48Å; F299-L301 PolarHBondContact O-N 2.8Å; F299-Y306 AromaticContact CD1-CD2 3.83Å; F299-Y306 HydrophobicContact CD1-CD2 3.83Å; F299-Y306 AromaticContact CD1-CE2 3.58Å; F299-Y306 HydrophobicContact CD1-CE2 3.58Å; F299-Y306 AromaticContact CE1-CD2 3.89Å; F299-Y306 HydrophobicContact CE1-CD2 3.89Å; F299-Y306 AromaticContact CE1-CE2 3.52Å; F299-Y306 HydrophobicContact CE1-CE2 3.52Å; F299-Y306 HydrophobicContact CZ-CE2 4.48Å; F299-M310 HydrophobicContact CE1-CE 4.07Å; F299-M310 HydrophobicContact CE1-CG 4.46Å; F299-M310 HydrophobicContact CE1-SD 3.98Å; F299-M310 HydrophobicContact CZ-CE 3.73Å; F299-M310 HydrophobicContact CZ-SD 3.91Å; F299-D370 HydrophobicContact CD2-CB 3.79Å; F299-D370 HydrophobicContact CE2-CB 3.78Å; F299-D370 HydrophobicContact CG-CB 4.23Å; F299-D370 HydrophobicContact CZ-CB 4.15Å; F299-W371 HydrophobicContact CE2-CD2 4.38Å; F299-W371 HydrophobicContact CE2-CH2 4.39Å; F299-W371 HydrophobicContact CE2-CZ2 4.07Å | ||
| 300 | P | 91.9 | Very high | 90 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 71% | 0.714 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -62.4 | -16.6 | -172.6 | -25.7 | 34.9 | 0 | 0 | 0 | 115.6 | ||
| 301 | L | 91.8 | Very high | 90.2 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -99.9 | 122.8 | 179.8 | -69.4 | 173 | 0 | 0 | 0 | 110.5 | F299 Y306 V309 M310 | F299-L301 HydrophobicContact CD1-CB 3.83Å; F299-L301 HydrophobicContact CD1-CG 4.47Å; F299-L301 HydrophobicContact CE1-CB 3.78Å; F299-L301 HydrophobicContact CE1-CD1 3.8Å; F299-L301 HydrophobicContact CE1-CG 3.99Å; F299-L301 HydrophobicContact CZ-CD1 4.48Å; F299-L301 PolarHBondContact O-N 2.8Å; L301-Y306 HydrophobicContact CB-CD2 4.33Å; L301-V309 HydrophobicContact CD1-CB 3.83Å; L301-V309 HydrophobicContact CD1-CG1 3.69Å; L301-V309 HydrophobicContact CD1-CG2 4.4Å; L301-V309 HydrophobicContact CD2-CG2 4.24Å; L301-M310 HydrophobicContact CD1-CG 3.91Å; L301-M310 HydrophobicContact CD1-SD 3.8Å |
| 302 | S | 90.9 | Very high | 90.4 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 44% | 0.441 | 32% | 0.323 | S | S | . | . | trans | -65.1 | 154.3 | 172.2 | 71.5 | 0 | 0 | 0 | 0 | 111.5 | R304 Y305 Y306 | S302-R304 PolarHBondContact O-N 3.45Å; S302-Y305 PolarHBondContact O-N 2.97Å; S302-Y305 WeakPolarHBondContact OG-CD2 3.31Å; S302-Y306 PolarHBondContact O-N 2.87Å | ||
| 303 | S | 87 | Confident | 90.7 | Very high | 112 Ų | 112 | 58.4 Ų | 58.4 | 78% | 0.783 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -54.1 | -28.1 | -179.7 | -44.1 | 0 | 0 | 0 | 0 | 113.2 | Y305 | S303-Y305 PolarHBondContact O-N 3.47Å |
| 304 | R | 88 | Confident | 91.1 | Very high | 136 Ų | 136 | 53.9 Ų | 53.9 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.2 | 179.1 | 176.4 | 179.5 | 151.7 | 5.1 | 113.4 | V184 S187 S302 | V184-R304 HydrophobicContact CG1-CG 3.86Å; V184-R304 PolarHBondContact O-NH2 3.01Å; S187-R304 PolarHBondContact OG-NH2 3.26Å; S302-R304 PolarHBondContact O-N 3.45Å |
| 305 | Y | 92.4 | Very high | 91.5 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 29% | 0.286 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -103.5 | -12.9 | -176.7 | -62.9 | -70 | 0 | 0 | 0 | 113.1 | L181 V184 S302 S303 S307 A308 V309 | L181-Y305 HydrophobicContact CD1-CD1 3.82Å; L181-Y305 HydrophobicContact CD1-CE1 4.36Å; V184-Y305 HydrophobicContact CB-CE1 4.44Å; V184-Y305 HydrophobicContact CG1-CD1 3.92Å; V184-Y305 HydrophobicContact CG1-CE1 3.65Å; S302-Y305 PolarHBondContact O-N 2.97Å; S302-Y305 WeakPolarHBondContact OG-CD2 3.31Å; S303-Y305 PolarHBondContact O-N 3.47Å; Y305-S307 PolarHBondContact O-N 3.08Å; Y305-A308 PolarHBondContact O-N 3.04Å; Y305-V309 WeakPolarHBondContact O-CG2 3.33Å; Y305-V309 PolarHBondContact O-N 2.81Å |
| 306 | Y | 93.3 | Very high | 92 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -52.8 | -57 | -172.6 | -169.1 | -94.1 | 0 | 0 | 0 | 112.4 | I292 F299 L301 S302 A308 V309 M310 D370 F373 | I292-Y306 VanDerWaalsContact O-CE1 3.32Å; I292-Y306 WeakPolarHBondContact O-CE1 3.42Å; F299-Y306 AromaticContact CD1-CD2 3.83Å; F299-Y306 HydrophobicContact CD1-CD2 3.83Å; F299-Y306 AromaticContact CD1-CE2 3.58Å; F299-Y306 HydrophobicContact CD1-CE2 3.58Å; F299-Y306 AromaticContact CE1-CD2 3.89Å; F299-Y306 HydrophobicContact CE1-CD2 3.89Å; F299-Y306 AromaticContact CE1-CE2 3.52Å; F299-Y306 HydrophobicContact CE1-CE2 3.52Å; F299-Y306 HydrophobicContact CZ-CE2 4.48Å; L301-Y306 HydrophobicContact CB-CD2 4.33Å; S302-Y306 PolarHBondContact O-N 2.87Å; Y306-A308 PolarHBondContact O-N 3.49Å; Y306-V309 PolarHBondContact O-N 3.43Å; Y306-M310 HydrophobicContact CD1-CG 4.39Å; Y306-M310 HydrophobicContact CD2-CG 4Å; Y306-M310 HydrophobicContact CE1-CB 4.41Å; Y306-M310 HydrophobicContact CE1-CG 4.31Å; Y306-M310 HydrophobicContact CE2-CE 4.34Å; Y306-M310 HydrophobicContact CE2-CG 3.89Å; Y306-M310 HydrophobicContact CG-CG 4.25Å; Y306-M310 WeakPolarHBondContact O-CB 3.42Å; Y306-M310 VanDerWaalsContact O-CG 3.26Å; Y306-M310 WeakPolarHBondContact O-CG 3.5Å; Y306-M310 PolarHBondContact O-N 2.77Å; Y306-D370 PolarHBondContact OH-OD1 3.28Å; Y306-D370 VanDerWaalsContact OH-OD1 3.12Å; Y306-F373 HydrophobicContact CE1-CD1 4.42Å; Y306-F373 HydrophobicContact CE1-CE1 4.02Å; Y306-F373 WeakPolarHBondContact OH-CD1 3.45Å |
| 307 | S | 91.7 | Very high | 92.6 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 179.3 | -170 | 0 | 0 | 0 | 0 | 112.3 | A290 Y305 V309 C311 F312 | A290-S307 WeakPolarHBondContact CA-OG 3.2Å; A290-S307 PolarHBondContact O-OG 3.4Å; A290-S307 VanDerWaalsContact O-OG 3.13Å; Y305-S307 PolarHBondContact O-N 3.08Å; S307-V309 VanDerWaalsContact C-N 3.28Å; S307-V309 PolarHBondContact O-N 3.14Å; S307-C311 WeakPolarHBondContact O-CA 3.25Å; S307-C311 WeakPolarHBondContact O-CB 3.26Å; S307-C311 PolarHBondContact O-N 3.48Å; S307-F312 PolarHBondContact O-N 2.88Å |
| 308 | A | 92.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -57 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y180 L181 Y305 Y306 L313 | Y180-A308 HydrophobicContact CD1-CB 3.82Å; Y180-A308 HydrophobicContact CE1-CB 3.6Å; L181-A308 HydrophobicContact CD1-CB 4.15Å; Y305-A308 PolarHBondContact O-N 3.04Å; Y306-A308 PolarHBondContact O-N 3.49Å; A308-L313 PolarHBondContact O-N 3.04Å |
| 309 | V | 95.8 | Very high | 94 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -86 | -58 | -178.8 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | L181 L301 Y305 Y306 S307 C311 L313 V314 | L181-V309 HydrophobicContact CD1-CG2 4.25Å; L301-V309 HydrophobicContact CD1-CB 3.83Å; L301-V309 HydrophobicContact CD1-CG1 3.69Å; L301-V309 HydrophobicContact CD1-CG2 4.4Å; L301-V309 HydrophobicContact CD2-CG2 4.24Å; Y305-V309 WeakPolarHBondContact O-CG2 3.33Å; Y305-V309 PolarHBondContact O-N 2.81Å; Y306-V309 PolarHBondContact O-N 3.43Å; S307-V309 VanDerWaalsContact C-N 3.28Å; S307-V309 PolarHBondContact O-N 3.14Å; V309-C311 PolarHBondContact O-N 3.15Å; V309-L313 PolarHBondContact O-N 2.92Å; V309-V314 VanDerWaalsContact O-CG2 3.27Å; V309-V314 WeakPolarHBondContact O-CG2 3.19Å; V309-V314 PolarHBondContact O-N 3.34Å |
| 310 | M | 95 | Very high | 94.5 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -72.3 | -30.9 | -168.8 | -58 | -70.5 | -76.8 | 0 | 0 | 113 | F299 L301 Y306 D370 F373 L374 | F299-M310 HydrophobicContact CE1-CE 4.07Å; F299-M310 HydrophobicContact CE1-CG 4.46Å; F299-M310 HydrophobicContact CE1-SD 3.98Å; F299-M310 HydrophobicContact CZ-CE 3.73Å; F299-M310 HydrophobicContact CZ-SD 3.91Å; L301-M310 HydrophobicContact CD1-CG 3.91Å; L301-M310 HydrophobicContact CD1-SD 3.8Å; Y306-M310 HydrophobicContact CD1-CG 4.39Å; Y306-M310 HydrophobicContact CD2-CG 4Å; Y306-M310 HydrophobicContact CE1-CB 4.41Å; Y306-M310 HydrophobicContact CE1-CG 4.31Å; Y306-M310 HydrophobicContact CE2-CE 4.34Å; Y306-M310 HydrophobicContact CE2-CG 3.89Å; Y306-M310 HydrophobicContact CG-CG 4.25Å; Y306-M310 WeakPolarHBondContact O-CB 3.42Å; Y306-M310 VanDerWaalsContact O-CG 3.26Å; Y306-M310 WeakPolarHBondContact O-CG 3.5Å; Y306-M310 PolarHBondContact O-N 2.77Å; M310-D370 WeakPolarHBondContact CE-O 3.29Å; M310-F373 HydrophobicContact CB-CD1 4.38Å; M310-F373 HydrophobicContact CB-CE1 3.6Å; M310-F373 HydrophobicContact CB-CZ 4.36Å; M310-F373 HydrophobicContact CE-CD1 3.89Å; M310-F373 HydrophobicContact CE-CE1 4.27Å; M310-F373 HydrophobicContact CG-CE1 4.48Å; M310-L374 HydrophobicContact CE-CB 3.75Å; M310-L374 HydrophobicContact CE-CD1 3.96Å; M310-L374 HydrophobicContact CE-CG 4.3Å; M310-L374 HydrophobicContact SD-CD1 3.9Å |
| 311 | C | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -92.7 | -69 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | M289 S307 V309 F315 | M289-C311 HydrophobicContact CB-CB 4.06Å; M289-C311 WeakPolarHBondContact CB-SG 3.01Å; S307-C311 WeakPolarHBondContact O-CA 3.25Å; S307-C311 WeakPolarHBondContact O-CB 3.26Å; S307-C311 PolarHBondContact O-N 3.48Å; V309-C311 PolarHBondContact O-N 3.15Å; C311-F315 WeakPolarHBondContact O-CB 3.42Å; C311-F315 PolarHBondContact O-N 3.42Å; C311-F315 VanDerWaalsContact O-N 3.17Å |
| 312 | F | 95.2 | Very high | 95 | Very high | 34 Ų | 34 | 37.3 Ų | 37.3 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -73.6 | -53.6 | -166.5 | -64.8 | -78.2 | 0 | 0 | 0 | 113.6 | S177 Y180 F285 P286 A290 S307 N316 | S177-F312 PolarHBondContact OG-O 3.37Å; S177-F312 VanDerWaalsContact OG-O 3.14Å; Y180-F312 HydrophobicContact CD1-CD2 4.34Å; Y180-F312 HydrophobicContact CE1-CD2 4.18Å; Y180-F312 HydrophobicContact CE1-CE2 4.41Å; F285-F312 HydrophobicContact CE2-CD1 4.06Å; F285-F312 HydrophobicContact CE2-CE1 4.49Å; F285-F312 AromaticContact CZ-CD1 3.94Å; F285-F312 HydrophobicContact CZ-CD1 3.94Å; F285-F312 HydrophobicContact CZ-CE1 4.38Å; P286-F312 HydrophobicContact CB-CE1 3.69Å; P286-F312 HydrophobicContact CB-CZ 3.96Å; P286-F312 HydrophobicContact CG-CE1 4.41Å; A290-F312 HydrophobicContact CB-CE2 4.33Å; A290-F312 HydrophobicContact CB-CZ 4.33Å; S307-F312 PolarHBondContact O-N 2.88Å; F312-N316 WeakPolarHBondContact O-CB 3.23Å; F312-N316 PolarHBondContact O-N 3.12Å; F312-N316 VanDerWaalsContact O-N 3.08Å; F312-N316 PolarHBondContact O-ND2 3.3Å |
| 313 | L | 96.7 | Very high | 95.3 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -66.4 | -50.1 | -175.5 | -176.8 | 63.4 | 0 | 0 | 0 | 112 | L174 I178 L181 A308 V309 F315 N316 F317 | L174-L313 HydrophobicContact CD1-CD1 3.89Å; I178-L313 HydrophobicContact CG1-CD1 4.21Å; L181-L313 HydrophobicContact CD2-CD2 4.48Å; A308-L313 PolarHBondContact O-N 3.04Å; V309-L313 PolarHBondContact O-N 2.92Å; L313-F315 PolarHBondContact O-N 2.86Å; L313-N316 PolarHBondContact O-N 3.18Å; L313-F317 VanDerWaalsContact O-CB 3.23Å; L313-F317 WeakPolarHBondContact O-CB 3.19Å; L313-F317 PolarHBondContact O-N 3.08Å |
| 314 | V | 97.7 | Very high | 95.8 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 179 | 167.5 | 0 | 0 | 0 | 0 | 110.4 | V309 N316 F317 F318 L374 M378 | V309-V314 VanDerWaalsContact O-CG2 3.27Å; V309-V314 WeakPolarHBondContact O-CG2 3.19Å; V309-V314 PolarHBondContact O-N 3.34Å; V314-N316 PolarHBondContact O-N 2.91Å; V314-F317 PolarHBondContact O-N 2.57Å; V314-F318 HydrophobicContact CG1-CD2 4.01Å; V314-F318 HydrophobicContact CG1-CE2 4.43Å; V314-F318 WeakPolarHBondContact O-CD2 3.27Å; V314-F318 PolarHBondContact O-N 3.42Å; V314-L374 HydrophobicContact CB-CD1 4.47Å; V314-L374 HydrophobicContact CG1-CD1 4.06Å; V314-L374 HydrophobicContact CG2-CD1 3.7Å; V314-M378 HydrophobicContact CG1-CG 3.76Å |
| 315 | F | 97.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60 | -50.1 | -178.3 | -174.7 | -84.6 | 0 | 0 | 0 | 111.4 | T281 F285 M289 C311 L313 F317 A319 M380 A381 | T281-F315 HydrophobicContact CG2-CE1 4.36Å; T281-F315 HydrophobicContact CG2-CE2 4.08Å; T281-F315 HydrophobicContact CG2-CZ 3.45Å; T281-F315 VanDerWaalsContact CG2-CZ 3.45Å; F285-F315 HydrophobicContact CB-CD2 4.06Å; F285-F315 HydrophobicContact CB-CE2 3.93Å; F285-F315 HydrophobicContact CB-CZ 4.28Å; F285-F315 AromaticContact CD1-CD1 3.79Å; F285-F315 HydrophobicContact CD1-CD1 3.79Å; F285-F315 HydrophobicContact CD1-CD2 4.49Å; F285-F315 AromaticContact CD1-CE1 3.74Å; F285-F315 HydrophobicContact CD1-CE1 3.74Å; F285-F315 HydrophobicContact CD1-CE2 4.44Å; F285-F315 HydrophobicContact CD1-CG 4.21Å; F285-F315 HydrophobicContact CD1-CZ 4.11Å; F285-F315 HydrophobicContact CD2-CB 3.83Å; F285-F315 AromaticContact CD2-CD1 3.95Å; F285-F315 HydrophobicContact CD2-CD1 3.95Å; F285-F315 AromaticContact CD2-CD2 3.82Å; F285-F315 HydrophobicContact CD2-CD2 3.82Å; F285-F315 HydrophobicContact CD2-CE2 4.44Å; F285-F315 AromaticContact CD2-CG 3.57Å; F285-F315 HydrophobicContact CD2-CG 3.57Å; F285-F315 AromaticContact CE1-CD1 3.72Å; F285-F315 HydrophobicContact CE1-CD1 3.72Å; F285-F315 AromaticContact CE1-CE1 3.96Å; F285-F315 HydrophobicContact CE1-CE1 3.96Å; F285-F315 HydrophobicContact CE1-CG 4.35Å; F285-F315 HydrophobicContact CE2-CB 3.66Å; F285-F315 AromaticContact CE2-CD1 3.88Å; F285-F315 HydrophobicContact CE2-CD1 3.88Å; F285-F315 HydrophobicContact CE2-CD2 4.44Å; F285-F315 AromaticContact CE2-CG 3.73Å; F285-F315 HydrophobicContact CE2-CG 3.73Å; F285-F315 AromaticContact CG-CD1 3.91Å; F285-F315 HydrophobicContact CG-CD1 3.91Å; F285-F315 AromaticContact CG-CD2 3.85Å; F285-F315 HydrophobicContact CG-CD2 3.85Å; F285-F315 HydrophobicContact CG-CE1 4.07Å; F285-F315 HydrophobicContact CG-CE2 4.01Å; F285-F315 AromaticContact CG-CG 3.83Å; F285-F315 HydrophobicContact CG-CG 3.83Å; F285-F315 HydrophobicContact CG-CZ 4.14Å; F285-F315 HydrophobicContact CZ-CB 4.28Å; F285-F315 AromaticContact CZ-CD1 3.77Å; F285-F315 HydrophobicContact CZ-CD1 3.77Å; F285-F315 HydrophobicContact CZ-CE1 4.46Å; F285-F315 HydrophobicContact CZ-CG 4.12Å; M289-F315 HydrophobicContact SD-CD2 4.32Å; C311-F315 WeakPolarHBondContact O-CB 3.42Å; C311-F315 PolarHBondContact O-N 3.42Å; C311-F315 VanDerWaalsContact O-N 3.17Å; L313-F315 PolarHBondContact O-N 2.86Å; F315-F317 PolarHBondContact O-N 3.31Å; F315-A319 VanDerWaalsContact O-CB 3.26Å; F315-A319 WeakPolarHBondContact O-CB 3.5Å; F315-A319 PolarHBondContact O-N 2.87Å; F315-M380 HydrophobicContact CE2-CE 4.03Å; F315-A381 HydrophobicContact CB-CB 4.35Å; F315-A381 HydrophobicContact CD2-CB 3.66Å; F315-A381 HydrophobicContact CE2-CB 3.98Å; F315-A381 HydrophobicContact CG-CB 4Å; F315-A381 VanDerWaalsContact O-CB 3.31Å; F315-A381 WeakPolarHBondContact O-CB 3.38Å |
| 316 | N | 97.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.4 | -36.8 | -176.5 | -74.1 | -71 | 0 | 0 | 0 | 112.9 | G173 L174 S177 F312 L313 V314 V320 | G173-N316 VanDerWaalsContact C-OD1 3.29Å; G173-N316 WeakPolarHBondContact CA-OD1 3.45Å; G173-N316 PolarHBondContact O-ND2 3.16Å; L174-N316 HydrophobicContact CB-CB 4.18Å; S177-N316 PolarHBondContact OG-ND2 3.2Å; F312-N316 WeakPolarHBondContact O-CB 3.23Å; F312-N316 PolarHBondContact O-N 3.12Å; F312-N316 VanDerWaalsContact O-N 3.08Å; F312-N316 PolarHBondContact O-ND2 3.3Å; L313-N316 PolarHBondContact O-N 3.18Å; V314-N316 PolarHBondContact O-N 2.91Å; N316-V320 WeakPolarHBondContact O-CG2 3.41Å; N316-V320 PolarHBondContact O-N 2.98Å |
| 317 | F | 98.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 26.3 Ų | 26.3 | 39% | 0.386 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -63.8 | -51 | 176.2 | 178 | -99 | 0 | 0 | 0 | 111.7 | L174 L313 V314 F315 A319 V320 M321 | L174-F317 HydrophobicContact CD1-CB 4.17Å; L313-F317 VanDerWaalsContact O-CB 3.23Å; L313-F317 WeakPolarHBondContact O-CB 3.19Å; L313-F317 PolarHBondContact O-N 3.08Å; V314-F317 PolarHBondContact O-N 2.57Å; F315-F317 PolarHBondContact O-N 3.31Å; F317-A319 VanDerWaalsContact C-N 3.34Å; F317-A319 PolarHBondContact O-N 3.14Å; F317-V320 PolarHBondContact O-N 3.37Å; F317-M321 HydrophobicContact CD1-CG 4.23Å; F317-M321 HydrophobicContact CE1-CG 3.81Å; F317-M321 HydrophobicContact CE2-CE 4.13Å; F317-M321 HydrophobicContact CZ-CE 4.27Å; F317-M321 HydrophobicContact CZ-CG 3.99Å; F317-M321 HydrophobicContact CZ-SD 4.14Å; F317-M321 WeakPolarHBondContact O-CG 3.37Å; F317-M321 PolarHBondContact O-N 3Å |
| 318 | F | 98.5 | Very high | 96.3 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 23% | 0.232 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.7 | -29.4 | -178.2 | -82.2 | -88.5 | 0 | 0 | 0 | 112.7 | V314 M321 G322 M378 A381 F382 | V314-F318 HydrophobicContact CG1-CD2 4.01Å; V314-F318 HydrophobicContact CG1-CE2 4.43Å; V314-F318 WeakPolarHBondContact O-CD2 3.27Å; V314-F318 PolarHBondContact O-N 3.42Å; F318-M321 PolarHBondContact O-N 3.11Å; F318-G322 PolarHBondContact O-N 2.9Å; F318-M378 HydrophobicContact CD1-CB 4.05Å; F318-M378 HydrophobicContact CD1-CG 4.32Å; F318-M378 HydrophobicContact CD2-CB 4.15Å; F318-M378 HydrophobicContact CD2-CG 3.7Å; F318-M378 HydrophobicContact CE1-CB 4.11Å; F318-M378 HydrophobicContact CE1-CG 4.1Å; F318-M378 HydrophobicContact CE1-SD 4.18Å; F318-M378 HydrophobicContact CE2-CB 4.23Å; F318-M378 HydrophobicContact CE2-CE 3.68Å; F318-M378 HydrophobicContact CE2-CG 3.46Å; F318-M378 VanDerWaalsContact CE2-CG 3.46Å; F318-M378 HydrophobicContact CE2-SD 3.82Å; F318-M378 HydrophobicContact CG-CB 4.07Å; F318-M378 HydrophobicContact CG-CG 4.14Å; F318-M378 HydrophobicContact CZ-CB 4.2Å; F318-M378 HydrophobicContact CZ-CE 3.8Å; F318-M378 HydrophobicContact CZ-CG 3.67Å; F318-M378 HydrophobicContact CZ-SD 3.55Å; F318-M378 VanDerWaalsContact CZ-SD 3.55Å; F318-A381 HydrophobicContact CB-CB 3.77Å; F318-F382 HydrophobicContact CB-CB 4.46Å; F318-F382 WeakPolarHBondContact O-CA 3.44Å |
| 319 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N170 F315 F317 M321 G322 N323 A381 G385 | N170-A319 HydrophobicContact CB-CB 4.39Å; F315-A319 VanDerWaalsContact O-CB 3.26Å; F315-A319 WeakPolarHBondContact O-CB 3.5Å; F315-A319 PolarHBondContact O-N 2.87Å; F317-A319 VanDerWaalsContact C-N 3.34Å; F317-A319 PolarHBondContact O-N 3.14Å; A319-M321 PolarHBondContact O-N 3.49Å; A319-G322 PolarHBondContact O-N 3.42Å; A319-N323 VanDerWaalsContact O-CG 3.29Å; A319-N323 PolarHBondContact O-N 2.87Å; A319-N323 PolarHBondContact O-OD1 3.45Å; A319-A381 WeakPolarHBondContact CA-O 3.46Å; A319-G385 WeakPolarHBondContact O-CA 3.34Å |
| 320 | V | 98.2 | Very high | 96.3 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 174.6 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | N170 V171 L174 N316 F317 G322 N323 L324 | N170-V320 HydrophobicContact CB-CG2 3.89Å; V171-V320 HydrophobicContact CG2-CG1 4.1Å; V171-V320 HydrophobicContact CG2-CG2 3.92Å; L174-V320 HydrophobicContact CB-CG2 4.41Å; L174-V320 HydrophobicContact CD2-CG2 4.45Å; N316-V320 WeakPolarHBondContact O-CG2 3.41Å; N316-V320 PolarHBondContact O-N 2.98Å; F317-V320 PolarHBondContact O-N 3.37Å; V320-G322 VanDerWaalsContact C-N 3.3Å; V320-G322 PolarHBondContact O-N 3Å; V320-N323 WeakPolarHBondContact O-CB 3.41Å; V320-N323 PolarHBondContact O-N 3.36Å; V320-N323 VanDerWaalsContact O-N 3.1Å; V320-L324 HydrophobicContact CG1-CD1 4.18Å; V320-L324 HydrophobicContact CG1-CG 4.28Å; V320-L324 WeakPolarHBondContact O-CG 3.49Å; V320-L324 PolarHBondContact O-N 2.98Å |
| 321 | M | 98 | Very high | 96.2 | Very high | 60 Ų | 60 | 52.6 Ų | 52.6 | 30% | 0.296 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 175.9 | -68.2 | -57.8 | 104.7 | 0 | 0 | 112 | F317 F318 A319 N323 L324 V325 F382 | F317-M321 HydrophobicContact CD1-CG 4.23Å; F317-M321 HydrophobicContact CE1-CG 3.81Å; F317-M321 HydrophobicContact CE2-CE 4.13Å; F317-M321 HydrophobicContact CZ-CE 4.27Å; F317-M321 HydrophobicContact CZ-CG 3.99Å; F317-M321 HydrophobicContact CZ-SD 4.14Å; F317-M321 WeakPolarHBondContact O-CG 3.37Å; F317-M321 PolarHBondContact O-N 3Å; F318-M321 PolarHBondContact O-N 3.11Å; A319-M321 PolarHBondContact O-N 3.49Å; M321-N323 VanDerWaalsContact C-N 3.34Å; M321-N323 PolarHBondContact O-N 2.93Å; M321-L324 HydrophobicContact CE-CD1 3.61Å; M321-L324 PolarHBondContact O-N 2.98Å; M321-L324 HydrophobicContact SD-CD1 4.43Å; M321-V325 WeakPolarHBondContact O-CG2 3.41Å; M321-V325 PolarHBondContact O-N 3.25Å; M321-F382 HydrophobicContact CB-CD2 4.32Å |
| 322 | G | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | F318 A319 V320 S326 H386 | F318-G322 PolarHBondContact O-N 2.9Å; A319-G322 PolarHBondContact O-N 3.42Å; V320-G322 VanDerWaalsContact C-N 3.3Å; V320-G322 PolarHBondContact O-N 3Å; G322-S326 PolarHBondContact O-N 2.65Å; G322-S326 VanDerWaalsContact O-N 3.12Å; G322-S326 PolarHBondContact O-OG 2.86Å; G322-H386 WeakPolarHBondContact O-CA 3.34Å; G322-H386 PolarHBondContact O-ND1 2.96Å |
| 323 | N | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.5 | -54.5 | 131.9 | 0 | 0 | 0 | 112.6 | N163 V166 I167 N170 A319 V320 M321 S326 S327 G385 S389 | N163-N323 PolarHBondContact ND2-O 3.35Å; V166-N323 WeakPolarHBondContact CG1-ND2 3.43Å; I167-N323 HydrophobicContact CG1-CB 3.53Å; N170-N323 VanDerWaalsContact CB-OD1 3.3Å; N170-N323 WeakPolarHBondContact CB-OD1 3.24Å; N170-N323 PolarHBondContact ND2-ND2 3.1Å; N170-N323 PolarHBondContact ND2-OD1 3.41Å; A319-N323 VanDerWaalsContact O-CG 3.29Å; A319-N323 PolarHBondContact O-N 2.87Å; A319-N323 PolarHBondContact O-OD1 3.45Å; V320-N323 WeakPolarHBondContact O-CB 3.41Å; V320-N323 PolarHBondContact O-N 3.36Å; V320-N323 VanDerWaalsContact O-N 3.1Å; M321-N323 VanDerWaalsContact C-N 3.34Å; M321-N323 PolarHBondContact O-N 2.93Å; N323-S326 VanDerWaalsContact O-CB 3.32Å; N323-S326 WeakPolarHBondContact O-CB 3.43Å; N323-S326 PolarHBondContact O-N 2.85Å; N323-S327 PolarHBondContact O-N 2.88Å; N323-G385 VanDerWaalsContact ND2-CA 3.27Å; N323-G385 WeakPolarHBondContact ND2-CA 3.45Å; N323-G385 PolarHBondContact ND2-O 2.92Å; N323-S389 WeakPolarHBondContact CA-OG 3.43Å; N323-S389 WeakPolarHBondContact CB-OG 3.44Å; N323-S389 PolarHBondContact ND2-OG 2.95Å |
| 324 | L | 96.7 | Very high | 96.1 | Very high | 69 Ų | 69 | 53 Ų | 53 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 178.7 | -68.3 | -179.5 | 0 | 0 | 0 | 110.4 | I167 V320 M321 S326 S327 W328 | I167-L324 HydrophobicContact CD1-CD2 4.26Å; V320-L324 HydrophobicContact CG1-CD1 4.18Å; V320-L324 HydrophobicContact CG1-CG 4.28Å; V320-L324 WeakPolarHBondContact O-CG 3.49Å; V320-L324 PolarHBondContact O-N 2.98Å; M321-L324 HydrophobicContact CE-CD1 3.61Å; M321-L324 PolarHBondContact O-N 2.98Å; M321-L324 HydrophobicContact SD-CD1 4.43Å; L324-S326 PolarHBondContact O-N 2.54Å; L324-S327 VanDerWaalsContact O-CB 3.25Å; L324-S327 WeakPolarHBondContact O-CB 3.35Å; L324-S327 PolarHBondContact O-N 3.18Å; L324-S327 PolarHBondContact O-OG 3.48Å; L324-W328 VanDerWaalsContact O-CD1 3.32Å |
| 325 | V | 96.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 61 Ų | 61 | 33% | 0.327 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.9 | -38.9 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | M321 S327 W328 L329 F382 | M321-V325 WeakPolarHBondContact O-CG2 3.41Å; M321-V325 PolarHBondContact O-N 3.25Å; V325-S327 PolarHBondContact O-N 3.2Å; V325-S327 VanDerWaalsContact O-N 3.12Å; V325-W328 PolarHBondContact O-N 2.83Å; V325-L329 HydrophobicContact CG1-CB 4.15Å; V325-L329 PolarHBondContact O-N 3.34Å; V325-F382 HydrophobicContact CB-CE2 4.25Å; V325-F382 HydrophobicContact CB-CZ 3.98Å; V325-F382 HydrophobicContact CG1-CZ 4.09Å; V325-F382 HydrophobicContact CG2-CE2 3.84Å; V325-F382 HydrophobicContact CG2-CZ 3.93Å |
| 326 | S | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -24.6 | 177.4 | -50.2 | 0 | 0 | 0 | 0 | 114.1 | G322 N323 L324 W328 L329 R330 H386 S389 | G322-S326 PolarHBondContact O-N 2.65Å; G322-S326 VanDerWaalsContact O-N 3.12Å; G322-S326 PolarHBondContact O-OG 2.86Å; N323-S326 VanDerWaalsContact O-CB 3.32Å; N323-S326 WeakPolarHBondContact O-CB 3.43Å; N323-S326 PolarHBondContact O-N 2.85Å; L324-S326 PolarHBondContact O-N 2.54Å; S326-W328 VanDerWaalsContact C-N 3.27Å; S326-W328 PolarHBondContact O-N 3.26Å; S326-L329 WeakPolarHBondContact CA-O 3.45Å; S326-R330 WeakPolarHBondContact O-CG 3.35Å; S326-H386 WeakPolarHBondContact OG-CA 3.5Å; S326-H386 PolarHBondContact OG-CE1 3.04Å; S326-H386 PolarHBondContact OG-ND1 3.09Å; S326-H386 PolarHBondContact OG-O 2.79Å; S326-S389 VanDerWaalsContact CB-CB 3.46Å; S326-S389 VanDerWaalsContact OG-CB 3.28Å; S326-S389 WeakPolarHBondContact OG-CB 3.37Å |
| 327 | S | 90.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 66.5 Ų | 66.5 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.8 | -29 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 112 | N163 N323 L324 V325 | N163-S327 PolarHBondContact ND2-OG 2.95Å; N323-S327 PolarHBondContact O-N 2.88Å; L324-S327 VanDerWaalsContact O-CB 3.25Å; L324-S327 WeakPolarHBondContact O-CB 3.35Å; L324-S327 PolarHBondContact O-N 3.18Å; L324-S327 PolarHBondContact O-OG 3.48Å; V325-S327 PolarHBondContact O-N 3.2Å; V325-S327 VanDerWaalsContact O-N 3.12Å |
| 328 | W | 92.3 | Very high | 95.8 | Very high | 238 Ų | 238 | 67.3 Ų | 67.3 | 90% | 0.902 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -102.4 | -47.2 | -175.4 | -60.8 | 64.1 | 0 | 0 | 0 | 111.2 | L324 V325 S326 | L324-W328 VanDerWaalsContact O-CD1 3.32Å; V325-W328 PolarHBondContact O-N 2.83Å; S326-W328 VanDerWaalsContact C-N 3.27Å; S326-W328 PolarHBondContact O-N 3.26Å |
| 329 | L | 94 | Very high | 95.8 | Very high | 100 Ų | 100 | 68.7 Ų | 68.7 | 52% | 0.524 | 31% | 0.312 | S | S | . | . | trans | -112.5 | 110 | -178.5 | -178.3 | 62.9 | 0 | 0 | 0 | 110.2 | V325 S326 F331 H386 | V325-L329 HydrophobicContact CG1-CB 4.15Å; V325-L329 PolarHBondContact O-N 3.34Å; S326-L329 WeakPolarHBondContact CA-O 3.45Å; L329-F331 HydrophobicContact CD1-CB 4.06Å; L329-F331 HydrophobicContact CG-CB 4.07Å; L329-F331 PolarHBondContact O-N 2.85Å; L329-H386 PolarHBondContact O-CE1 3.44Å | ||
| 330 | R | 94.3 | Very high | 95.8 | Very high | 135 Ų | 135 | 70.9 Ų | 70.9 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | trans | -100.3 | 64.7 | 179 | -63.8 | -179.5 | -161.2 | 141.8 | 10.8 | 110.8 | S326 L390 Y394 | S326-R330 WeakPolarHBondContact O-CG 3.35Å; R330-L390 HydrophobicContact CB-CD2 4.21Å; R330-L390 HydrophobicContact CG-CD2 4.41Å; R330-Y394 WeakPolarHBondContact CB-OH 3.41Å; R330-Y394 PolarHBondContact O-OH 2.99Å; R330-Y394 VanDerWaalsContact O-OH 3.04Å | ||
| 331 | F | 93.7 | Very high | 95.8 | Very high | 144 Ų | 144 | 70.4 Ų | 70.4 | 63% | 0.632 | 32% | 0.323 | S | S | * | . | trans | -128.5 | 134.2 | -178.9 | 176.9 | -90.4 | 0 | 0 | 0 | 110.3 | L329 H386 L390 | L329-F331 HydrophobicContact CD1-CB 4.06Å; L329-F331 HydrophobicContact CG-CB 4.07Å; L329-F331 PolarHBondContact O-N 2.85Å; F331-H386 PolarHBondContact O-NE2 2.95Å; F331-L390 WeakPolarHBondContact O-CD1 3.42Å | ||
| 332 | P | 94.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 70.3 Ų | 70.3 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | S | Bend | cis | -81.6 | 165.4 | 2.5 | 35 | -38.9 | 0 | 0 | 0 | 113.1 | W336 L337 P340 Y394 | P332-W336 HydrophobicContact CB-CB 4.2Å; P332-L337 HydrophobicContact CG-CB 4.39Å; P332-L337 HydrophobicContact CG-CD1 3.69Å; P332-P340 HydrophobicContact CG-CG 3.87Å; P332-Y394 PolarHBondContact O-OH 3.39Å |
| 333 | S | 95 | Very high | 95.9 | Very high | 55 Ų | 55 | 72.7 Ų | 72.7 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | trans | -61.2 | 159 | 175 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | R335 W336 L337 | S333-R335 PolarHBondContact O-N 2.84Å; S333-W336 PolarHBondContact O-N 3.36Å; S333-W336 VanDerWaalsContact OG-CD1 3.3Å; S333-L337 PolarHBondContact O-N 3.07Å | ||
| 334 | A | 94.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 72.8 Ų | 72.8 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -39.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q269 Q270 W336 Y394 L398 | Q269-A334 PolarHBondContact NE2-O 2.85Å; Q270-A334 PolarHBondContact NE2-O 3.36Å; A334-W336 PolarHBondContact O-N 2.87Å; A334-Y394 HydrophobicContact CB-CD2 3.7Å; A334-Y394 HydrophobicContact CB-CE2 4.27Å; A334-Y394 HydrophobicContact CB-CG 3.93Å; A334-L398 HydrophobicContact CB-CD2 4.45Å |
| 335 | R | 94.4 | Very high | 96 | Very high | 183 Ų | 183 | 71.1 Ų | 71.1 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -36.1 | 179.3 | -177.9 | 176.6 | 179.5 | 174.4 | 0.3 | 113.3 | Q269 S333 W338 | Q269-R335 PolarHBondContact NE2-O 3.05Å; S333-R335 PolarHBondContact O-N 2.84Å; R335-W338 VanDerWaalsContact O-CD1 3.23Å |
| 336 | W | 96.9 | Very high | 96.1 | Very high | 135 Ų | 135 | 74.6 Ų | 74.6 | 51% | 0.511 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -4.8 | -174 | -62.4 | 114.9 | 0 | 0 | 0 | 113.3 | P332 S333 A334 W338 L339 P340 | P332-W336 HydrophobicContact CB-CB 4.2Å; S333-W336 PolarHBondContact O-N 3.36Å; S333-W336 VanDerWaalsContact OG-CD1 3.3Å; A334-W336 PolarHBondContact O-N 2.87Å; W336-W338 PolarHBondContact O-N 3Å; W336-W338 VanDerWaalsContact O-N 3.13Å; W336-L339 HydrophobicContact CE3-CD1 3.84Å; W336-L339 HydrophobicContact CZ3-CD1 4.41Å; W336-L339 PolarHBondContact O-N 3.13Å; W336-L339 VanDerWaalsContact O-N 3.17Å; W336-P340 WeakPolarHBondContact O-CD 3.34Å |
| 337 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.2 | -176 | -168.6 | 60.7 | 0 | 0 | 0 | 114.3 | P332 S333 L339 P340 V341 L387 L390 V391 Y394 | P332-L337 HydrophobicContact CG-CB 4.39Å; P332-L337 HydrophobicContact CG-CD1 3.69Å; S333-L337 PolarHBondContact O-N 3.07Å; L337-L339 VanDerWaalsContact C-N 3.28Å; L337-L339 PolarHBondContact O-N 2.8Å; L337-P340 VanDerWaalsContact O-CD 3.3Å; L337-P340 WeakPolarHBondContact O-CD 3.45Å; L337-P340 WeakPolarHBondContact O-CG 3.43Å; L337-V341 WeakPolarHBondContact O-CG2 3.3Å; L337-V341 PolarHBondContact O-N 3.31Å; L337-L387 HydrophobicContact CD1-CD2 3.53Å; L337-L390 HydrophobicContact CD1-CB 4.12Å; L337-L390 HydrophobicContact CD1-CD1 3.74Å; L337-L390 HydrophobicContact CD2-CB 3.87Å; L337-V391 HydrophobicContact CD2-CB 4.42Å; L337-V391 HydrophobicContact CD2-CG2 3.5Å; L337-V391 VanDerWaalsContact CD2-CG2 3.5Å; L337-V391 HydrophobicContact CG-CG2 4.39Å; L337-Y394 HydrophobicContact CD2-CD2 4.05Å; L337-Y394 HydrophobicContact CD2-CE2 4.27Å |
| 338 | W | 97.8 | Very high | 96.5 | Very high | 106 Ų | 106 | 75.2 Ų | 75.2 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.1 | -28.6 | 178.7 | 72.2 | -88.1 | 0 | 0 | 0 | 113.2 | Q269 N273 R335 W336 V341 V342 | Q269-W338 HydrophobicContact CG-CB 4.48Å; N273-W338 VanDerWaalsContact OD1-CA 3.27Å; N273-W338 WeakPolarHBondContact OD1-CA 3.4Å; N273-W338 WeakPolarHBondContact OD1-CB 3.39Å; R335-W338 VanDerWaalsContact O-CD1 3.23Å; W336-W338 PolarHBondContact O-N 3Å; W336-W338 VanDerWaalsContact O-N 3.13Å; W338-V341 PolarHBondContact O-N 3.34Å; W338-V342 HydrophobicContact CE3-CG2 4.07Å; W338-V342 WeakPolarHBondContact O-CG2 3.45Å; W338-V342 PolarHBondContact O-N 3.36Å |
| 339 | L | 98.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 66.6 Ų | 66.6 | 42% | 0.424 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -59.3 | -178.9 | -75.5 | 169.8 | 0 | 0 | 0 | 112.4 | W336 L337 V341 V342 A343 | W336-L339 HydrophobicContact CE3-CD1 3.84Å; W336-L339 HydrophobicContact CZ3-CD1 4.41Å; W336-L339 PolarHBondContact O-N 3.13Å; W336-L339 VanDerWaalsContact O-N 3.17Å; L337-L339 VanDerWaalsContact C-N 3.28Å; L337-L339 PolarHBondContact O-N 2.8Å; L339-V341 PolarHBondContact O-N 2.72Å; L339-V342 PolarHBondContact O-N 2.81Å; L339-A343 WeakPolarHBondContact O-CB 3.43Å; L339-A343 PolarHBondContact O-N 2.93Å |
| 340 | P | 98.1 | Very high | 96.8 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.5 | -26.5 | 177.1 | 27.6 | -36.6 | 0 | 0 | 0 | 112.2 | P332 W336 L337 R344 L387 | P332-P340 HydrophobicContact CG-CG 3.87Å; W336-P340 WeakPolarHBondContact O-CD 3.34Å; L337-P340 VanDerWaalsContact O-CD 3.3Å; L337-P340 WeakPolarHBondContact O-CD 3.45Å; L337-P340 WeakPolarHBondContact O-CG 3.43Å; P340-R344 WeakPolarHBondContact O-CG 3.03Å; P340-R344 PolarHBondContact O-N 3.07Å; P340-L387 HydrophobicContact CB-CD1 4.15Å; P340-L387 HydrophobicContact CB-CD2 4.21Å; P340-L387 HydrophobicContact CG-CD1 4.46Å; P340-L387 HydrophobicContact CG-CD2 3.87Å |
| 341 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -49.1 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | N273 F276 I277 L337 W338 L339 A343 R344 L387 | N273-V341 HydrophobicContact CB-CG1 4.37Å; N273-V341 HydrophobicContact CB-CG2 4.16Å; F276-V341 HydrophobicContact CB-CG1 3.93Å; F276-V341 HydrophobicContact CD1-CG1 3.86Å; F276-V341 WeakPolarHBondContact CD1-O 3.17Å; F276-V341 HydrophobicContact CG-CG1 4.37Å; I277-V341 HydrophobicContact CD1-CG2 3.8Å; I277-V341 HydrophobicContact CG1-CB 4.39Å; I277-V341 HydrophobicContact CG1-CG1 3.86Å; I277-V341 HydrophobicContact CG1-CG2 3.74Å; L337-V341 WeakPolarHBondContact O-CG2 3.3Å; L337-V341 PolarHBondContact O-N 3.31Å; W338-V341 PolarHBondContact O-N 3.34Å; L339-V341 PolarHBondContact O-N 2.72Å; V341-A343 VanDerWaalsContact C-N 3.32Å; V341-A343 PolarHBondContact O-N 3.38Å; V341-R344 VanDerWaalsContact O-CB 3.23Å; V341-R344 WeakPolarHBondContact O-CB 3.35Å; V341-R344 WeakPolarHBondContact O-CG 3.36Å; V341-R344 PolarHBondContact O-N 3.48Å; V341-R344 VanDerWaalsContact O-N 3.17Å; V341-L387 HydrophobicContact CG2-CB 4.31Å; V341-L387 HydrophobicContact CG2-CD1 3.96Å |
| 342 | V | 98.5 | Very high | 96.8 | Very high | 57 Ų | 57 | 52 Ų | 52 | 35% | 0.345 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | F272 W338 L339 R344 A345 | F272-V342 HydrophobicContact CE1-CG2 3.91Å; F272-V342 HydrophobicContact CZ-CG2 4.33Å; W338-V342 HydrophobicContact CE3-CG2 4.07Å; W338-V342 WeakPolarHBondContact O-CG2 3.45Å; W338-V342 PolarHBondContact O-N 3.36Å; L339-V342 PolarHBondContact O-N 2.81Å; V342-R344 PolarHBondContact O-N 3.42Å; V342-R344 VanDerWaalsContact O-N 3.11Å; V342-A345 VanDerWaalsContact O-CB 3.24Å; V342-A345 WeakPolarHBondContact O-CB 3.4Å; V342-A345 PolarHBondContact O-N 3.42Å |
| 343 | A | 98.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.9 | -23.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L339 V341 A345 L346 | L339-A343 WeakPolarHBondContact O-CB 3.43Å; L339-A343 PolarHBondContact O-N 2.93Å; V341-A343 VanDerWaalsContact C-N 3.32Å; V341-A343 PolarHBondContact O-N 3.38Å; A343-A345 PolarHBondContact O-N 2.97Å; A343-A345 VanDerWaalsContact O-N 3.14Å; A343-L346 WeakPolarHBondContact O-CB 3.08Å; A343-L346 WeakPolarHBondContact O-CG 3.22Å; A343-L346 PolarHBondContact O-N 2.9Å; A343-L346 VanDerWaalsContact O-N 3.11Å |
| 344 | R | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -57.7 | -26.1 | 172.9 | -63.3 | 178.7 | 61.7 | 71.8 | 0 | 112.5 | V280 T281 P340 V341 V342 L346 F347 M380 T383 L387 | V280-R344 HydrophobicContact CB-CB 4.32Å; V280-R344 HydrophobicContact CG1-CB 4Å; V280-R344 WeakPolarHBondContact CG1-O 3.49Å; V280-R344 HydrophobicContact CG2-CB 4.3Å; T281-R344 PolarHBondContact OG1-NH2 3.47Å; P340-R344 WeakPolarHBondContact O-CG 3.03Å; P340-R344 PolarHBondContact O-N 3.07Å; V341-R344 VanDerWaalsContact O-CB 3.23Å; V341-R344 WeakPolarHBondContact O-CB 3.35Å; V341-R344 WeakPolarHBondContact O-CG 3.36Å; V341-R344 PolarHBondContact O-N 3.48Å; V341-R344 VanDerWaalsContact O-N 3.17Å; V342-R344 PolarHBondContact O-N 3.42Å; V342-R344 VanDerWaalsContact O-N 3.11Å; R344-L346 PolarHBondContact O-N 3.16Å; R344-F347 HydrophobicContact CB-CD2 3.99Å; R344-F347 HydrophobicContact CB-CE2 4.3Å; R344-F347 HydrophobicContact CG-CD2 4.41Å; R344-F347 HydrophobicContact CG-CE2 4.25Å; R344-F347 WeakPolarHBondContact O-CB 3.39Å; R344-F347 VanDerWaalsContact O-CD2 3.22Å; R344-F347 WeakPolarHBondContact O-CD2 3Å; R344-F347 PolarHBondContact O-N 2.88Å; R344-M380 PolarHBondContact NH1-O 3.3Å; R344-M380 PolarHBondContact NH2-O 3.06Å; R344-T383 PolarHBondContact NH1-OG1 3.11Å; R344-L387 HydrophobicContact CG-CD1 4.39Å |
| 345 | A | 98.2 | Very high | 96.5 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -54.6 | -28.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F276 V342 A343 F347 I348 P349 | F276-A345 HydrophobicContact CE1-CB 4.14Å; F276-A345 HydrophobicContact CZ-CB 4.01Å; V342-A345 VanDerWaalsContact O-CB 3.24Å; V342-A345 WeakPolarHBondContact O-CB 3.4Å; V342-A345 PolarHBondContact O-N 3.42Å; A343-A345 PolarHBondContact O-N 2.97Å; A343-A345 VanDerWaalsContact O-N 3.14Å; A345-F347 PolarHBondContact O-N 3.33Å; A345-I348 PolarHBondContact O-N 3.12Å; A345-I348 VanDerWaalsContact O-N 3.13Å; A345-P349 WeakPolarHBondContact O-CD 3.18Å |
| 346 | L | 98 | Very high | 96.2 | Very high | 127 Ų | 127 | 43 Ų | 43 | 67% | 0.665 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -63.7 | -20.8 | 176 | -59.8 | 175.9 | 0 | 0 | 0 | 113.4 | A343 R344 I348 P349 F350 | A343-L346 WeakPolarHBondContact O-CB 3.08Å; A343-L346 WeakPolarHBondContact O-CG 3.22Å; A343-L346 PolarHBondContact O-N 2.9Å; A343-L346 VanDerWaalsContact O-N 3.11Å; R344-L346 PolarHBondContact O-N 3.16Å; L346-I348 VanDerWaalsContact C-N 3.3Å; L346-I348 PolarHBondContact O-N 2.85Å; L346-P349 WeakPolarHBondContact O-CD 3.2Å; L346-P349 WeakPolarHBondContact O-CG 3.3Å; L346-F350 WeakPolarHBondContact O-CB 3.33Å; L346-F350 PolarHBondContact O-N 3.41Å |
| 347 | F | 98.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 38 Ų | 38 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.9 | -31.5 | 174 | -67.4 | -58.8 | 0 | 0 | 0 | 112.1 | I284 R344 A345 F350 F351 L379 M380 | I284-F347 HydrophobicContact CD1-CB 3.59Å; R344-F347 HydrophobicContact CB-CD2 3.99Å; R344-F347 HydrophobicContact CB-CE2 4.3Å; R344-F347 HydrophobicContact CG-CD2 4.41Å; R344-F347 HydrophobicContact CG-CE2 4.25Å; R344-F347 WeakPolarHBondContact O-CB 3.39Å; R344-F347 VanDerWaalsContact O-CD2 3.22Å; R344-F347 WeakPolarHBondContact O-CD2 3Å; R344-F347 PolarHBondContact O-N 2.88Å; A345-F347 PolarHBondContact O-N 3.33Å; F347-F350 WeakPolarHBondContact O-CB 3.2Å; F347-F350 PolarHBondContact O-N 3.14Å; F347-F351 HydrophobicContact CB-CD2 4.14Å; F347-F351 HydrophobicContact CB-CE2 4.07Å; F347-F351 HydrophobicContact CD1-CE2 4.13Å; F347-F351 HydrophobicContact CG-CE2 4.42Å; F347-F351 WeakPolarHBondContact O-CD2 3.11Å; F347-F351 PolarHBondContact O-N 3.35Å; F347-L379 HydrophobicContact CE1-CB 4.42Å; F347-L379 HydrophobicContact CE1-CD2 4.06Å; F347-L379 HydrophobicContact CE1-CG 4.27Å; F347-L379 HydrophobicContact CZ-CB 4.39Å; F347-L379 HydrophobicContact CZ-CD2 3.93Å; F347-L379 HydrophobicContact CZ-CG 3.9Å; F347-M380 HydrophobicContact CB-CG 4.38Å; F347-M380 HydrophobicContact CD1-CB 3.99Å; F347-M380 HydrophobicContact CD1-CG 4.42Å; F347-M380 HydrophobicContact CD2-CB 4.12Å; F347-M380 HydrophobicContact CD2-CG 3.92Å; F347-M380 HydrophobicContact CE1-CB 4.02Å; F347-M380 HydrophobicContact CE2-CB 4.16Å; F347-M380 HydrophobicContact CE2-CG 4.33Å; F347-M380 HydrophobicContact CG-CB 4.06Å; F347-M380 HydrophobicContact CG-CG 4Å; F347-M380 HydrophobicContact CZ-CB 4.12Å |
| 348 | I | 97.2 | Very high | 94.7 | Very high | 24 Ų | 24 | 38.8 Ų | 38.8 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -56.8 | -178.6 | -60 | 174.1 | 0 | 0 | 0 | 111.2 | F279 V280 T283 I284 A345 L346 F350 F351 L352 F425 V429 | F279-I348 HydrophobicContact CE1-CD1 4.43Å; V280-I348 HydrophobicContact CG1-CG1 4.22Å; V280-I348 HydrophobicContact CG2-CD1 4.41Å; T283-I348 HydrophobicContact CG2-CD1 4.25Å; T283-I348 HydrophobicContact CG2-CG1 4.33Å; T283-I348 HydrophobicContact CG2-CG2 4.45Å; I284-I348 HydrophobicContact CD1-CB 4.49Å; I284-I348 HydrophobicContact CD1-CG1 3.84Å; I284-I348 HydrophobicContact CG1-CG1 4.11Å; A345-I348 PolarHBondContact O-N 3.12Å; A345-I348 VanDerWaalsContact O-N 3.13Å; L346-I348 VanDerWaalsContact C-N 3.3Å; L346-I348 PolarHBondContact O-N 2.85Å; I348-F350 VanDerWaalsContact C-N 3.31Å; I348-F350 PolarHBondContact O-N 3Å; I348-F351 PolarHBondContact O-N 2.94Å; I348-L352 WeakPolarHBondContact O-CB 3.09Å; I348-L352 PolarHBondContact O-N 3.2Å; I348-F425 HydrophobicContact CD1-CE1 4.33Å; I348-V429 HydrophobicContact CG2-CG2 4.05Å |
| 349 | P | 95.4 | Very high | 93.7 | Very high | 57 Ų | 57 | 41 Ų | 41 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.6 | -35.5 | 176.2 | 25.3 | -33.2 | 0 | 0 | 0 | 112 | A345 L346 F351 L352 F353 | A345-P349 WeakPolarHBondContact O-CD 3.18Å; L346-P349 WeakPolarHBondContact O-CD 3.2Å; L346-P349 WeakPolarHBondContact O-CG 3.3Å; P349-F351 PolarHBondContact O-N 2.92Å; P349-L352 PolarHBondContact O-N 3.13Å; P349-F353 HydrophobicContact CB-CD2 4.37Å; P349-F353 HydrophobicContact CB-CE2 4.35Å; P349-F353 WeakPolarHBondContact O-CD2 3.01Å; P349-F353 PolarHBondContact O-N 3.38Å |
| 350 | F | 96.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 25% | 0.25 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.4 | -54.1 | 176.5 | 174.9 | -89.6 | 0 | 0 | 0 | 111.9 | L346 F347 I348 L352 F353 C354 I367 L372 | L346-F350 WeakPolarHBondContact O-CB 3.33Å; L346-F350 PolarHBondContact O-N 3.41Å; F347-F350 WeakPolarHBondContact O-CB 3.2Å; F347-F350 PolarHBondContact O-N 3.14Å; I348-F350 VanDerWaalsContact C-N 3.31Å; I348-F350 PolarHBondContact O-N 3Å; F350-L352 PolarHBondContact O-N 3.4Å; F350-F353 PolarHBondContact O-N 3.5Å; F350-C354 PolarHBondContact O-N 2.98Å; F350-C354 VanDerWaalsContact O-N 3.17Å; F350-C354 PolarHBondContact O-SG 3.21Å; F350-C354 VanDerWaalsContact O-SG 3.36Å; F350-I367 HydrophobicContact CD2-CD1 3.52Å; F350-I367 HydrophobicContact CE2-CD1 3.55Å; F350-I367 HydrophobicContact CG-CD1 4.17Å; F350-I367 HydrophobicContact CZ-CD1 4.2Å; F350-L372 WeakPolarHBondContact CZ-O 3.42Å |
| 351 | F | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.4 | -25.7 | -179.7 | -72 | -76.9 | 0 | 0 | 0 | 113.4 | I284 M288 M289 I292 F347 I348 P349 F353 C354 F373 M380 | I284-F351 HydrophobicContact CD1-CD2 4.07Å; I284-F351 HydrophobicContact CG2-CB 3.99Å; I284-F351 HydrophobicContact CG2-CD1 4.41Å; I284-F351 HydrophobicContact CG2-CD2 3.47Å; I284-F351 VanDerWaalsContact CG2-CD2 3.47Å; I284-F351 HydrophobicContact CG2-CE2 4.02Å; I284-F351 HydrophobicContact CG2-CG 3.71Å; M288-F351 HydrophobicContact CE-CB 4.05Å; M289-F351 HydrophobicContact CE-CE1 3.94Å; M289-F351 HydrophobicContact CE-CZ 4.25Å; M289-F351 HydrophobicContact CG-CD1 4.1Å; M289-F351 HydrophobicContact CG-CE1 4.08Å; M289-F351 HydrophobicContact SD-CE1 4.2Å; M289-F351 HydrophobicContact SD-CZ 4.27Å; I292-F351 HydrophobicContact CD1-CD1 3.85Å; F347-F351 HydrophobicContact CB-CD2 4.14Å; F347-F351 HydrophobicContact CB-CE2 4.07Å; F347-F351 HydrophobicContact CD1-CE2 4.13Å; F347-F351 HydrophobicContact CG-CE2 4.42Å; F347-F351 WeakPolarHBondContact O-CD2 3.11Å; F347-F351 PolarHBondContact O-N 3.35Å; I348-F351 PolarHBondContact O-N 2.94Å; P349-F351 PolarHBondContact O-N 2.92Å; F351-F353 VanDerWaalsContact C-N 3.3Å; F351-C354 WeakPolarHBondContact O-CB 3.31Å; F351-C354 PolarHBondContact O-N 2.91Å; F351-F373 AromaticContact CD1-CD2 3.92Å; F351-F373 HydrophobicContact CD1-CD2 3.92Å; F351-F373 AromaticContact CD1-CE2 3.9Å; F351-F373 HydrophobicContact CD1-CE2 3.9Å; F351-F373 AromaticContact CE1-CD2 3.66Å; F351-F373 HydrophobicContact CE1-CD2 3.66Å; F351-F373 AromaticContact CE1-CE2 3.64Å; F351-F373 HydrophobicContact CE1-CE2 3.64Å; F351-M380 HydrophobicContact CD2-SD 4.12Å; F351-M380 HydrophobicContact CE2-CB 4.11Å; F351-M380 HydrophobicContact CE2-CG 4.27Å; F351-M380 HydrophobicContact CE2-SD 3.41Å; F351-M380 WeakPolarHBondContact CE2-SD 3.3Å; F351-M380 HydrophobicContact CZ-CB 4.34Å; F351-M380 HydrophobicContact CZ-SD 3.97Å |
| 352 | L | 93.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 172.6 | -179.6 | 60.9 | 0 | 0 | 0 | 112 | M288 I348 P349 F350 F356 R361 L363 V429 V432 N433 | M288-L352 HydrophobicContact CE-CB 4.03Å; I348-L352 WeakPolarHBondContact O-CB 3.09Å; I348-L352 PolarHBondContact O-N 3.2Å; P349-L352 PolarHBondContact O-N 3.13Å; F350-L352 PolarHBondContact O-N 3.4Å; L352-F356 HydrophobicContact CD1-CD1 4.24Å; L352-R361 PolarHBondContact O-NH1 2.77Å; L352-R361 PolarHBondContact O-NH2 3.02Å; L352-L363 HydrophobicContact CD1-CD1 4.08Å; L352-L363 HydrophobicContact CD2-CD1 3.77Å; L352-L363 HydrophobicContact CG-CD1 3.9Å; L352-V429 HydrophobicContact CD1-CG1 3.79Å; L352-V432 HydrophobicContact CD2-CG1 4.5Å; L352-N433 HydrophobicContact CD1-CB 3.77Å |
| 353 | F | 93.3 | Very high | 90.9 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 25% | 0.254 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -89.8 | -4.7 | 179.4 | -71.4 | -61.5 | 0 | 0 | 0 | 114.7 | P349 F350 F351 L363 L366 I367 | P349-F353 HydrophobicContact CB-CD2 4.37Å; P349-F353 HydrophobicContact CB-CE2 4.35Å; P349-F353 WeakPolarHBondContact O-CD2 3.01Å; P349-F353 PolarHBondContact O-N 3.38Å; F350-F353 PolarHBondContact O-N 3.5Å; F351-F353 VanDerWaalsContact C-N 3.3Å; F353-L363 HydrophobicContact CE1-CB 4.45Å; F353-L366 HydrophobicContact CB-CB 4.13Å; F353-L366 HydrophobicContact CB-CD1 4.32Å; F353-L366 HydrophobicContact CB-CG 4.32Å; F353-L366 HydrophobicContact CD1-CB 4.48Å; F353-L366 HydrophobicContact CD1-CD1 3.58Å; F353-L366 HydrophobicContact CD1-CG 3.76Å; F353-L366 HydrophobicContact CD2-CD1 4.29Å; F353-L366 HydrophobicContact CE1-CD1 3.88Å; F353-L366 HydrophobicContact CE1-CG 4.36Å; F353-L366 HydrophobicContact CG-CD1 3.82Å; F353-L366 HydrophobicContact CG-CG 4.18Å; F353-L366 HydrophobicContact CZ-CD1 4.36Å; F353-L366 PolarHBondContact O-N 3.45Å; F353-I367 PolarHBondContact O-N 2.87Å |
| 354 | C | 93.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -64.4 | 174.6 | 159.6 | -68.7 | 0 | 0 | 0 | 0 | 110.9 | I292 F350 F351 F356 | I292-C354 HydrophobicContact CD1-CB 3.78Å; I292-C354 HydrophobicContact CG1-CB 4.37Å; F350-C354 PolarHBondContact O-N 2.98Å; F350-C354 VanDerWaalsContact O-N 3.17Å; F350-C354 PolarHBondContact O-SG 3.21Å; F350-C354 VanDerWaalsContact O-SG 3.36Å; F351-C354 WeakPolarHBondContact O-CB 3.31Å; F351-C354 PolarHBondContact O-N 2.91Å; C354-F356 PolarHBondContact O-N 3.24Å |
| 355 | N | 90.5 | Very high | 89.9 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -70.2 | 50.6 | 176.4 | -166.4 | 31.4 | 0 | 0 | 0 | 113.1 | I292 E293 Q357 V365 | I292-N355 WeakPolarHBondContact CA-O 3.16Å; E293-N355 PolarHBondContact N-O 3.28Å; E293-N355 VanDerWaalsContact N-O 3.07Å; E293-N355 PolarHBondContact O-ND2 3.38Å; N355-Q357 PolarHBondContact OD1-NE2 2.84Å; N355-V365 HydrophobicContact CB-CG1 4.1Å |
| 356 | F | 87.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 122.2 | 178.8 | 169.1 | -128.3 | 0 | 0 | 0 | 110 | M288 N291 I292 L352 C354 P358 R361 N430 N433 | M288-F356 HydrophobicContact CB-CD2 4.44Å; M288-F356 HydrophobicContact CB-CE2 4.33Å; M288-F356 HydrophobicContact CE-CD1 4.5Å; M288-F356 HydrophobicContact CG-CZ 4.41Å; M288-F356 WeakPolarHBondContact O-CD2 3.3Å; N291-F356 HydrophobicContact CB-CD2 3.79Å; N291-F356 HydrophobicContact CB-CE2 3.61Å; I292-F356 HydrophobicContact CG1-CB 3.9Å; L352-F356 HydrophobicContact CD1-CD1 4.24Å; C354-F356 PolarHBondContact O-N 3.24Å; F356-P358 WeakPolarHBondContact O-CD 3.4Å; F356-R361 PolarHBondContact O-NH1 3.23Å; F356-N430 WeakPolarHBondContact CZ-OD1 3.06Å; F356-N433 WeakPolarHBondContact CD1-ND2 3.42Å; F356-N433 WeakPolarHBondContact CE1-ND2 3.4Å |
| 357 | Q | 83.4 | Confident | 89.3 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | trans | -104.4 | 93.4 | -173.8 | -48.6 | -56.2 | 23 | 0 | 0 | 112 | N291 E293 N355 T448 | N291-Q357 PolarHBondContact O-N 3.37Å; E293-Q357 HydrophobicContact CB-CG 4.09Å; E293-Q357 HydrophobicContact CG-CG 3.69Å; N355-Q357 PolarHBondContact OD1-NE2 2.84Å; Q357-T448 HydrophobicContact CB-CG2 4.27Å; Q357-T448 PolarHBondContact NE2-OG1 3.43Å; Q357-T448 PolarHBondContact OE1-OG1 3.18Å | ||
| 358 | P | 79.4 | Confident | 88.8 | Confident | 15 Ų | 15 | 43 Ų | 43 | 10% | 0.097 | 22% | 0.215 | C | C | . | . | trans | -74.4 | -177.7 | 166.2 | 36.5 | -41.3 | 0 | 0 | 0 | 111.1 | F356 Y360 R361 N433 E434 T448 | F356-P358 WeakPolarHBondContact O-CD 3.4Å; P358-Y360 VanDerWaalsContact C-N 3.3Å; P358-Y360 WeakPolarHBondContact CG-O 3.34Å; P358-Y360 PolarHBondContact O-N 3.45Å; P358-R361 HydrophobicContact CG-CB 3.99Å; P358-R361 HydrophobicContact CG-CG 4.39Å; P358-N433 WeakPolarHBondContact CD-ND2 3.3Å; P358-N433 HydrophobicContact CG-CB 4.47Å; P358-N433 VanDerWaalsContact CG-ND2 3.33Å; P358-N433 WeakPolarHBondContact CG-ND2 3.24Å; P358-E434 HydrophobicContact CB-CG 3.97Å; P358-E434 HydrophobicContact CG-CG 4.42Å; P358-T448 WeakPolarHBondContact O-CG2 3.27Å | ||
| 359 | Q | 76.2 | Confident | 88.6 | Confident | 154 Ų | 154 | 43.8 Ų | 43.8 | 72% | 0.72 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -62.9 | -39.2 | 173.7 | -70.6 | -176.8 | 4.9 | 0 | 0 | 112.3 | ||
| 360 | Y | 79.2 | Confident | 88.5 | Confident | 138 Ų | 138 | 41.3 Ų | 41.3 | 54% | 0.541 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -134.2 | 132.2 | 175.4 | -58.2 | -80.7 | 0 | 0 | 0 | 108.6 | P358 E434 | P358-Y360 VanDerWaalsContact C-N 3.3Å; P358-Y360 WeakPolarHBondContact CG-O 3.34Å; P358-Y360 PolarHBondContact O-N 3.45Å; Y360-E434 WeakPolarHBondContact O-CA 3.4Å; Y360-E434 WeakPolarHBondContact O-CG 3.43Å |
| 361 | R | 83.2 | Confident | 88.4 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | trans | -108 | 135.5 | 177.8 | -167.5 | 172.2 | 176.1 | 97.4 | 7.7 | 109.6 | L352 F356 P358 L363 P364 N433 V450 | L352-R361 PolarHBondContact O-NH1 2.77Å; L352-R361 PolarHBondContact O-NH2 3.02Å; F356-R361 PolarHBondContact O-NH1 3.23Å; P358-R361 HydrophobicContact CG-CB 3.99Å; P358-R361 HydrophobicContact CG-CG 4.39Å; R361-L363 WeakPolarHBondContact CG-O 3.34Å; R361-L363 PolarHBondContact NE-O 2.89Å; R361-P364 PolarHBondContact NH2-O 3.45Å; R361-N433 PolarHBondContact NH1-ND2 3.46Å; R361-V450 VanDerWaalsContact C-CG1 3.45Å; R361-V450 HydrophobicContact CB-CG1 3.84Å; R361-V450 HydrophobicContact CG-CG1 3.94Å; R361-V450 WeakPolarHBondContact O-CG1 3.05Å | ||
| 362 | T | 85.9 | Confident | 88.4 | Confident | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | trans | -125.5 | -14.9 | 173.5 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | N433 E434 K435 G437 W438 C439 | T362-N433 PolarHBondContact N-O 3.07Å; T362-N433 PolarHBondContact OG1-O 3.32Å; T362-E434 WeakPolarHBondContact CG2-O 3.15Å; T362-K435 PolarHBondContact OG1-N 3.18Å; T362-G437 CarbonylContact O-C 3.35Å; T362-G437 VanDerWaalsContact O-CA 3.23Å; T362-G437 WeakPolarHBondContact O-CA 3.34Å; T362-G437 WeakPolarHBondContact OG1-CA 3.46Å; T362-G437 PolarHBondContact OG1-N 2.94Å; T362-W438 PolarHBondContact O-N 3.13Å; T362-C439 WeakPolarHBondContact CA-O 3.48Å; T362-C439 WeakPolarHBondContact CB-O 3.39Å; T362-C439 WeakPolarHBondContact O-CA 3.22Å; T362-C439 WeakPolarHBondContact O-CB 3.33Å; T362-C439 PolarHBondContact O-N 3.48Å | ||
| 363 | L | 87.1 | Confident | 88.6 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -89 | 145.1 | 172.1 | -66.7 | 172.9 | 0 | 0 | 0 | 111.3 | L352 F353 R361 V432 N433 | L352-L363 HydrophobicContact CD1-CD1 4.08Å; L352-L363 HydrophobicContact CD2-CD1 3.77Å; L352-L363 HydrophobicContact CG-CD1 3.9Å; F353-L363 HydrophobicContact CE1-CB 4.45Å; R361-L363 WeakPolarHBondContact CG-O 3.34Å; R361-L363 PolarHBondContact NE-O 2.89Å; L363-V432 HydrophobicContact CD1-CG1 4.28Å; L363-N433 WeakPolarHBondContact CB-OD1 3.4Å; L363-N433 HydrophobicContact CD1-CB 4.4Å |
| 364 | P | 87.4 | Confident | 88.7 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | trans | -64.6 | 152.7 | 174.2 | 27.8 | -33.7 | 0 | 0 | 0 | 111.1 | R361 L366 | R361-P364 PolarHBondContact NH2-O 3.45Å; P364-L366 HydrophobicContact CB-CD2 4.02Å; P364-L366 HydrophobicContact CG-CD2 3.86Å; P364-L366 HydrophobicContact CG-CG 4.26Å | ||
| 365 | V | 89 | Confident | 88.9 | Confident | 28 Ų | 28 | 52.8 Ų | 52.8 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | trans | -85.7 | 109.4 | 163 | -172.6 | 0 | 0 | 0 | 0 | 107.5 | N355 N368 | N355-V365 HydrophobicContact CB-CG1 4.1Å; V365-N368 WeakPolarHBondContact CB-OD1 3.32Å; V365-N368 WeakPolarHBondContact CG1-OD1 3.4Å; V365-N368 PolarHBondContact O-ND2 2.89Å | ||
| 366 | L | 90.9 | Very high | 89.2 | Confident | 113 Ų | 113 | 52.1 Ų | 52.1 | 59% | 0.592 | 26% | 0.257 | S | S | * | . | trans | -91.5 | -25.1 | 179.3 | -56.3 | 178.1 | 0 | 0 | 0 | 111.6 | F353 P364 | F353-L366 HydrophobicContact CB-CB 4.13Å; F353-L366 HydrophobicContact CB-CD1 4.32Å; F353-L366 HydrophobicContact CB-CG 4.32Å; F353-L366 HydrophobicContact CD1-CB 4.48Å; F353-L366 HydrophobicContact CD1-CD1 3.58Å; F353-L366 HydrophobicContact CD1-CG 3.76Å; F353-L366 HydrophobicContact CD2-CD1 4.29Å; F353-L366 HydrophobicContact CE1-CD1 3.88Å; F353-L366 HydrophobicContact CE1-CG 4.36Å; F353-L366 HydrophobicContact CG-CD1 3.82Å; F353-L366 HydrophobicContact CG-CG 4.18Å; F353-L366 HydrophobicContact CZ-CD1 4.36Å; F353-L366 PolarHBondContact O-N 3.45Å; P364-L366 HydrophobicContact CB-CD2 4.02Å; P364-L366 HydrophobicContact CG-CD2 3.86Å; P364-L366 HydrophobicContact CG-CG 4.26Å | ||
| 367 | I | 91.8 | Very high | 89.7 | Confident | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.159 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 88.2 | -177.8 | -52.6 | 177.2 | 0 | 0 | 0 | 108.8 | F350 F353 S369 L372 | F350-I367 HydrophobicContact CD2-CD1 3.52Å; F350-I367 HydrophobicContact CE2-CD1 3.55Å; F350-I367 HydrophobicContact CG-CD1 4.17Å; F350-I367 HydrophobicContact CZ-CD1 4.2Å; F353-I367 PolarHBondContact O-N 2.87Å; I367-S369 VanDerWaalsContact C-N 3.33Å; I367-S369 PolarHBondContact O-N 3.18Å; I367-L372 HydrophobicContact CG2-CB 3.8Å; I367-L372 HydrophobicContact CG2-CD1 4.03Å |
| 368 | N | 88 | Confident | 90.4 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 57% | 0.567 | 26% | 0.263 | S | S | * | . | trans | -94.4 | 36 | 179.2 | -65.6 | -50.5 | 0 | 0 | 0 | 112.8 | S295 V365 | S295-N368 WeakPolarHBondContact CB-O 3.26Å; V365-N368 WeakPolarHBondContact CB-OD1 3.32Å; V365-N368 WeakPolarHBondContact CG1-OD1 3.4Å; V365-N368 PolarHBondContact O-ND2 2.89Å | ||
| 369 | S | 92.7 | Very high | 91.3 | Very high | 40 Ų | 40 | 57 Ų | 57 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | trans | -129.4 | 115.6 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | I367 W371 L372 F373 | I367-S369 VanDerWaalsContact C-N 3.33Å; I367-S369 PolarHBondContact O-N 3.18Å; S369-W371 PolarHBondContact O-N 3.02Å; S369-L372 PolarHBondContact O-N 3.31Å; S369-L372 VanDerWaalsContact O-N 3.08Å; S369-L372 PolarHBondContact OG-N 3.49Å; S369-F373 PolarHBondContact O-N 2.87Å | ||
| 370 | D | 93.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -28.4 | 178.1 | -61.7 | -20.4 | 0 | 0 | 0 | 111.6 | S294 S295 S296 F299 Y306 M310 L374 | S294-D370 PolarHBondContact OG-OD2 2.95Å; S295-D370 WeakPolarHBondContact CB-OD1 3.29Å; S295-D370 VanDerWaalsContact N-CG 3.35Å; S295-D370 PolarHBondContact N-OD1 3.18Å; S295-D370 PolarHBondContact N-OD2 3.02Å; S295-D370 VanDerWaalsContact N-OD2 3.11Å; S295-D370 PolarHBondContact OG-OD1 2.99Å; S296-D370 PolarHBondContact OG-OD2 2.91Å; F299-D370 HydrophobicContact CD2-CB 3.79Å; F299-D370 HydrophobicContact CE2-CB 3.78Å; F299-D370 HydrophobicContact CG-CB 4.23Å; F299-D370 HydrophobicContact CZ-CB 4.15Å; Y306-D370 PolarHBondContact OH-OD1 3.28Å; Y306-D370 VanDerWaalsContact OH-OD1 3.12Å; M310-D370 WeakPolarHBondContact CE-O 3.29Å; D370-L374 WeakPolarHBondContact O-CB 3.49Å; D370-L374 PolarHBondContact O-N 2.9Å |
| 371 | W | 95 | Very high | 93.3 | Very high | 152 Ų | 152 | 43.1 Ų | 43.1 | 58% | 0.576 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -71 | -39.5 | 173.6 | -62.7 | 110.1 | 0 | 0 | 0 | 113 | F299 S369 L374 I375 | F299-W371 HydrophobicContact CE2-CD2 4.38Å; F299-W371 HydrophobicContact CE2-CH2 4.39Å; F299-W371 HydrophobicContact CE2-CZ2 4.07Å; S369-W371 PolarHBondContact O-N 3.02Å; W371-L374 HydrophobicContact CE3-CD2 3.91Å; W371-L374 HydrophobicContact CZ3-CD2 3.98Å; W371-L374 WeakPolarHBondContact O-CB 3.36Å; W371-L374 PolarHBondContact O-N 2.85Å; W371-I375 WeakPolarHBondContact O-CG1 3.41Å; W371-I375 PolarHBondContact O-N 2.73Å |
| 372 | L | 95.8 | Very high | 94 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 174 | -69.8 | 178.5 | 0 | 0 | 0 | 110.6 | F350 I367 S369 L374 I375 G376 | F350-L372 WeakPolarHBondContact CZ-O 3.42Å; I367-L372 HydrophobicContact CG2-CB 3.8Å; I367-L372 HydrophobicContact CG2-CD1 4.03Å; S369-L372 PolarHBondContact O-N 3.31Å; S369-L372 VanDerWaalsContact O-N 3.08Å; S369-L372 PolarHBondContact OG-N 3.49Å; L372-L374 VanDerWaalsContact C-N 3.3Å; L372-L374 PolarHBondContact O-N 2.93Å; L372-I375 PolarHBondContact O-N 3Å; L372-G376 PolarHBondContact O-N 3.37Å |
| 373 | F | 95.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -45.9 | 171.6 | 168.3 | -125.1 | 0 | 0 | 0 | 111.4 | M289 I292 Y306 M310 F351 S369 G376 G377 | M289-F373 HydrophobicContact CE-CE2 3.78Å; M289-F373 HydrophobicContact CE-CZ 4.03Å; M289-F373 HydrophobicContact CG-CE2 4.3Å; I292-F373 HydrophobicContact CB-CE1 4.36Å; I292-F373 HydrophobicContact CB-CE2 4.23Å; I292-F373 HydrophobicContact CB-CZ 4.05Å; I292-F373 HydrophobicContact CD1-CD2 3.7Å; I292-F373 HydrophobicContact CD1-CE2 3.38Å; I292-F373 HydrophobicContact CD1-CZ 4.06Å; I292-F373 HydrophobicContact CG1-CE2 4.37Å; I292-F373 HydrophobicContact CG2-CD1 4.03Å; I292-F373 HydrophobicContact CG2-CD2 4.19Å; I292-F373 HydrophobicContact CG2-CE1 3.97Å; I292-F373 HydrophobicContact CG2-CE2 4.19Å; I292-F373 HydrophobicContact CG2-CG 4.12Å; I292-F373 HydrophobicContact CG2-CZ 4.07Å; Y306-F373 HydrophobicContact CE1-CD1 4.42Å; Y306-F373 HydrophobicContact CE1-CE1 4.02Å; Y306-F373 WeakPolarHBondContact OH-CD1 3.45Å; M310-F373 HydrophobicContact CB-CD1 4.38Å; M310-F373 HydrophobicContact CB-CE1 3.6Å; M310-F373 HydrophobicContact CB-CZ 4.36Å; M310-F373 HydrophobicContact CE-CD1 3.89Å; M310-F373 HydrophobicContact CE-CE1 4.27Å; M310-F373 HydrophobicContact CG-CE1 4.48Å; F351-F373 AromaticContact CD1-CD2 3.92Å; F351-F373 HydrophobicContact CD1-CD2 3.92Å; F351-F373 AromaticContact CD1-CE2 3.9Å; F351-F373 HydrophobicContact CD1-CE2 3.9Å; F351-F373 AromaticContact CE1-CD2 3.66Å; F351-F373 HydrophobicContact CE1-CD2 3.66Å; F351-F373 AromaticContact CE1-CE2 3.64Å; F351-F373 HydrophobicContact CE1-CE2 3.64Å; S369-F373 PolarHBondContact O-N 2.87Å; F373-G376 PolarHBondContact O-N 3.28Å; F373-G377 PolarHBondContact O-N 3.42Å |
| 374 | L | 96.6 | Very high | 95.1 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.12 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -52 | 176.8 | -175.6 | 59.3 | 0 | 0 | 0 | 112.3 | M310 V314 D370 W371 L372 G376 G377 M378 | M310-L374 HydrophobicContact CE-CB 3.75Å; M310-L374 HydrophobicContact CE-CD1 3.96Å; M310-L374 HydrophobicContact CE-CG 4.3Å; M310-L374 HydrophobicContact SD-CD1 3.9Å; V314-L374 HydrophobicContact CB-CD1 4.47Å; V314-L374 HydrophobicContact CG1-CD1 4.06Å; V314-L374 HydrophobicContact CG2-CD1 3.7Å; D370-L374 WeakPolarHBondContact O-CB 3.49Å; D370-L374 PolarHBondContact O-N 2.9Å; W371-L374 HydrophobicContact CE3-CD2 3.91Å; W371-L374 HydrophobicContact CZ3-CD2 3.98Å; W371-L374 WeakPolarHBondContact O-CB 3.36Å; W371-L374 PolarHBondContact O-N 2.85Å; L372-L374 VanDerWaalsContact C-N 3.3Å; L372-L374 PolarHBondContact O-N 2.93Å; L374-G376 VanDerWaalsContact C-N 3.33Å; L374-G376 PolarHBondContact O-N 3.04Å; L374-G377 PolarHBondContact O-N 2.94Å; L374-M378 HydrophobicContact CD1-CE 3.64Å; L374-M378 HydrophobicContact CD1-CG 4.47Å; L374-M378 HydrophobicContact CD2-CE 3.82Å; L374-M378 HydrophobicContact CG-CE 3.55Å; L374-M378 HydrophobicContact CG-SD 4.27Å; L374-M378 VanDerWaalsContact O-CG 3.27Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.97Å |
| 375 | I | 97.5 | Very high | 95.6 | Very high | 106 Ų | 106 | 45.2 Ų | 45.2 | 54% | 0.544 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.2 | -43.6 | -179.3 | -68.5 | 166.4 | 0 | 0 | 0 | 110.7 | W371 L372 M378 L379 | W371-I375 WeakPolarHBondContact O-CG1 3.41Å; W371-I375 PolarHBondContact O-N 2.73Å; L372-I375 PolarHBondContact O-N 3Å; I375-M378 PolarHBondContact O-N 3.44Å; I375-L379 WeakPolarHBondContact O-CB 3.45Å; I375-L379 PolarHBondContact O-N 3.01Å |
| 376 | G | 97.5 | Very high | 96 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L372 F373 L374 L379 M380 | L372-G376 PolarHBondContact O-N 3.37Å; F373-G376 PolarHBondContact O-N 3.28Å; L374-G376 VanDerWaalsContact C-N 3.33Å; L374-G376 PolarHBondContact O-N 3.04Å; G376-L379 PolarHBondContact O-N 2.85Å; G376-M380 VanDerWaalsContact O-CB 3.27Å; G376-M380 WeakPolarHBondContact O-CB 3.37Å; G376-M380 PolarHBondContact O-N 3.36Å |
| 377 | G | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -48.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F373 L374 L379 A381 | F373-G377 PolarHBondContact O-N 3.42Å; L374-G377 PolarHBondContact O-N 2.94Å; G377-L379 PolarHBondContact O-N 3.26Å; G377-A381 WeakPolarHBondContact O-CB 3.36Å; G377-A381 PolarHBondContact O-N 3.35Å |
| 378 | M | 98.4 | Very high | 96.7 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 176.4 | -67.9 | 177.5 | 174.7 | 0 | 0 | 111.7 | V314 F318 L374 I375 A381 F382 | V314-M378 HydrophobicContact CG1-CG 3.76Å; F318-M378 HydrophobicContact CD1-CB 4.05Å; F318-M378 HydrophobicContact CD1-CG 4.32Å; F318-M378 HydrophobicContact CD2-CB 4.15Å; F318-M378 HydrophobicContact CD2-CG 3.7Å; F318-M378 HydrophobicContact CE1-CB 4.11Å; F318-M378 HydrophobicContact CE1-CG 4.1Å; F318-M378 HydrophobicContact CE1-SD 4.18Å; F318-M378 HydrophobicContact CE2-CB 4.23Å; F318-M378 HydrophobicContact CE2-CE 3.68Å; F318-M378 HydrophobicContact CE2-CG 3.46Å; F318-M378 VanDerWaalsContact CE2-CG 3.46Å; F318-M378 HydrophobicContact CE2-SD 3.82Å; F318-M378 HydrophobicContact CG-CB 4.07Å; F318-M378 HydrophobicContact CG-CG 4.14Å; F318-M378 HydrophobicContact CZ-CB 4.2Å; F318-M378 HydrophobicContact CZ-CE 3.8Å; F318-M378 HydrophobicContact CZ-CG 3.67Å; F318-M378 HydrophobicContact CZ-SD 3.55Å; F318-M378 VanDerWaalsContact CZ-SD 3.55Å; L374-M378 HydrophobicContact CD1-CE 3.64Å; L374-M378 HydrophobicContact CD1-CG 4.47Å; L374-M378 HydrophobicContact CD2-CE 3.82Å; L374-M378 HydrophobicContact CG-CE 3.55Å; L374-M378 HydrophobicContact CG-SD 4.27Å; L374-M378 VanDerWaalsContact O-CG 3.27Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.97Å; I375-M378 PolarHBondContact O-N 3.44Å; M378-A381 PolarHBondContact O-N 2.58Å; M378-F382 VanDerWaalsContact O-CB 3.24Å; M378-F382 WeakPolarHBondContact O-CB 3.48Å; M378-F382 PolarHBondContact O-N 3.3Å |
| 379 | L | 98.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 50% | 0.503 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.1 | -45.1 | -177.9 | -174.9 | 66.3 | 0 | 0 | 0 | 111.8 | F347 I375 G376 G377 A381 F382 T383 | F347-L379 HydrophobicContact CE1-CB 4.42Å; F347-L379 HydrophobicContact CE1-CD2 4.06Å; F347-L379 HydrophobicContact CE1-CG 4.27Å; F347-L379 HydrophobicContact CZ-CB 4.39Å; F347-L379 HydrophobicContact CZ-CD2 3.93Å; F347-L379 HydrophobicContact CZ-CG 3.9Å; I375-L379 WeakPolarHBondContact O-CB 3.45Å; I375-L379 PolarHBondContact O-N 3.01Å; G376-L379 PolarHBondContact O-N 2.85Å; G377-L379 PolarHBondContact O-N 3.26Å; L379-A381 VanDerWaalsContact C-N 3.33Å; L379-A381 PolarHBondContact O-N 3.27Å; L379-F382 PolarHBondContact O-N 3.42Å; L379-T383 HydrophobicContact CD1-CG2 4.25Å; L379-T383 WeakPolarHBondContact O-CB 3.36Å; L379-T383 WeakPolarHBondContact O-CG2 3.3Å; L379-T383 PolarHBondContact O-N 3.33Å; L379-T383 PolarHBondContact O-OG1 2.84Å |
| 380 | M | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 178 | -178 | -163.9 | 158.4 | 0 | 0 | 111.3 | T281 I284 F285 M289 F315 R344 F347 F351 G376 T383 S384 | T281-M380 HydrophobicContact CG2-CE 4.22Å; I284-M380 HydrophobicContact CB-CE 3.56Å; I284-M380 HydrophobicContact CB-SD 4.08Å; I284-M380 HydrophobicContact CD1-CE 3.85Å; I284-M380 HydrophobicContact CD1-SD 3.94Å; I284-M380 HydrophobicContact CG1-CE 4.28Å; I284-M380 HydrophobicContact CG2-CE 3.79Å; I284-M380 HydrophobicContact CG2-SD 3.66Å; F285-M380 HydrophobicContact CB-CE 4.28Å; M289-M380 HydrophobicContact SD-SD 4.33Å; F315-M380 HydrophobicContact CE2-CE 4.03Å; R344-M380 PolarHBondContact NH1-O 3.3Å; R344-M380 PolarHBondContact NH2-O 3.06Å; F347-M380 HydrophobicContact CB-CG 4.38Å; F347-M380 HydrophobicContact CD1-CB 3.99Å; F347-M380 HydrophobicContact CD1-CG 4.42Å; F347-M380 HydrophobicContact CD2-CB 4.12Å; F347-M380 HydrophobicContact CD2-CG 3.92Å; F347-M380 HydrophobicContact CE1-CB 4.02Å; F347-M380 HydrophobicContact CE2-CB 4.16Å; F347-M380 HydrophobicContact CE2-CG 4.33Å; F347-M380 HydrophobicContact CG-CB 4.06Å; F347-M380 HydrophobicContact CG-CG 4Å; F347-M380 HydrophobicContact CZ-CB 4.12Å; F351-M380 HydrophobicContact CD2-SD 4.12Å; F351-M380 HydrophobicContact CE2-CB 4.11Å; F351-M380 HydrophobicContact CE2-CG 4.27Å; F351-M380 HydrophobicContact CE2-SD 3.41Å; F351-M380 WeakPolarHBondContact CE2-SD 3.3Å; F351-M380 HydrophobicContact CZ-CB 4.34Å; F351-M380 HydrophobicContact CZ-SD 3.97Å; G376-M380 VanDerWaalsContact O-CB 3.27Å; G376-M380 WeakPolarHBondContact O-CB 3.37Å; G376-M380 PolarHBondContact O-N 3.36Å; M380-T383 PolarHBondContact O-OG1 3.29Å; M380-S384 VanDerWaalsContact O-CB 3.32Å; M380-S384 WeakPolarHBondContact O-CB 3.3Å; M380-S384 PolarHBondContact O-N 2.97Å |
| 381 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.1 | -50.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F315 F318 A319 G377 M378 L379 T383 S384 G385 | F315-A381 HydrophobicContact CB-CB 4.35Å; F315-A381 HydrophobicContact CD2-CB 3.66Å; F315-A381 HydrophobicContact CE2-CB 3.98Å; F315-A381 HydrophobicContact CG-CB 4Å; F315-A381 VanDerWaalsContact O-CB 3.31Å; F315-A381 WeakPolarHBondContact O-CB 3.38Å; F318-A381 HydrophobicContact CB-CB 3.77Å; A319-A381 WeakPolarHBondContact CA-O 3.46Å; G377-A381 WeakPolarHBondContact O-CB 3.36Å; G377-A381 PolarHBondContact O-N 3.35Å; M378-A381 PolarHBondContact O-N 2.58Å; L379-A381 VanDerWaalsContact C-N 3.33Å; L379-A381 PolarHBondContact O-N 3.27Å; A381-T383 VanDerWaalsContact C-N 3.35Å; A381-T383 PolarHBondContact O-N 3.26Å; A381-S384 VanDerWaalsContact O-CB 3.31Å; A381-S384 WeakPolarHBondContact O-CB 3.47Å; A381-S384 PolarHBondContact O-N 2.96Å; A381-S384 VanDerWaalsContact O-N 3.08Å; A381-G385 PolarHBondContact O-N 2.91Å |
| 382 | F | 98.5 | Very high | 97.6 | Very high | 61 Ų | 61 | 24 Ų | 24 | 27% | 0.268 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -56.9 | -49.1 | 177.9 | -178.8 | -88.1 | 0 | 0 | 0 | 111.4 | F318 M321 V325 M378 L379 S384 G385 H386 | F318-F382 HydrophobicContact CB-CB 4.46Å; F318-F382 WeakPolarHBondContact O-CA 3.44Å; M321-F382 HydrophobicContact CB-CD2 4.32Å; V325-F382 HydrophobicContact CB-CE2 4.25Å; V325-F382 HydrophobicContact CB-CZ 3.98Å; V325-F382 HydrophobicContact CG1-CZ 4.09Å; V325-F382 HydrophobicContact CG2-CE2 3.84Å; V325-F382 HydrophobicContact CG2-CZ 3.93Å; M378-F382 VanDerWaalsContact O-CB 3.24Å; M378-F382 WeakPolarHBondContact O-CB 3.48Å; M378-F382 PolarHBondContact O-N 3.3Å; L379-F382 PolarHBondContact O-N 3.42Å; F382-S384 VanDerWaalsContact C-N 3.29Å; F382-S384 PolarHBondContact O-N 3.39Å; F382-G385 PolarHBondContact O-N 3.37Å; F382-H386 HydrophobicContact CD1-CB 4.39Å; F382-H386 HydrophobicContact CE1-CB 4.14Å; F382-H386 WeakPolarHBondContact O-CB 3.35Å; F382-H386 PolarHBondContact O-N 2.95Å |
| 383 | T | 98.2 | Very high | 97.5 | Very high | 31 Ų | 31 | 19.9 Ų | 19.9 | 19% | 0.19 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.3 | -30.2 | 178.1 | 51.9 | 0 | 0 | 0 | 0 | 112 | R344 L379 M380 A381 L387 | R344-T383 PolarHBondContact NH1-OG1 3.11Å; L379-T383 HydrophobicContact CD1-CG2 4.25Å; L379-T383 WeakPolarHBondContact O-CB 3.36Å; L379-T383 WeakPolarHBondContact O-CG2 3.3Å; L379-T383 PolarHBondContact O-N 3.33Å; L379-T383 PolarHBondContact O-OG1 2.84Å; M380-T383 PolarHBondContact O-OG1 3.29Å; A381-T383 VanDerWaalsContact C-N 3.35Å; A381-T383 PolarHBondContact O-N 3.26Å; T383-L387 VanDerWaalsContact O-CB 3.23Å; T383-L387 WeakPolarHBondContact O-CB 3.43Å; T383-L387 WeakPolarHBondContact O-CD1 3.43Å; T383-L387 WeakPolarHBondContact O-CG 3.19Å; T383-L387 PolarHBondContact O-N 2.81Å |
| 384 | S | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 4% | 0.035 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -51 | 174 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | T281 M380 A381 F382 T388 | T281-S384 PolarHBondContact OG1-OG 3.49Å; M380-S384 VanDerWaalsContact O-CB 3.32Å; M380-S384 WeakPolarHBondContact O-CB 3.3Å; M380-S384 PolarHBondContact O-N 2.97Å; A381-S384 VanDerWaalsContact O-CB 3.31Å; A381-S384 WeakPolarHBondContact O-CB 3.47Å; A381-S384 PolarHBondContact O-N 2.96Å; A381-S384 VanDerWaalsContact O-N 3.08Å; F382-S384 VanDerWaalsContact C-N 3.29Å; F382-S384 PolarHBondContact O-N 3.39Å; S384-T388 WeakPolarHBondContact O-CB 3.4Å; S384-T388 PolarHBondContact O-N 3.31Å; S384-T388 PolarHBondContact O-OG1 3.36Å |
| 385 | G | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64 | -52.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A319 N323 A381 F382 L387 T388 S389 | A319-G385 WeakPolarHBondContact O-CA 3.34Å; N323-G385 VanDerWaalsContact ND2-CA 3.27Å; N323-G385 WeakPolarHBondContact ND2-CA 3.45Å; N323-G385 PolarHBondContact ND2-O 2.92Å; A381-G385 PolarHBondContact O-N 2.91Å; F382-G385 PolarHBondContact O-N 3.37Å; G385-L387 PolarHBondContact O-N 3.08Å; G385-T388 PolarHBondContact O-N 3.06Å; G385-S389 WeakPolarHBondContact O-CB 3.4Å; G385-S389 PolarHBondContact O-N 2.62Å; G385-S389 PolarHBondContact O-OG 3.23Å |
| 386 | H | 98.2 | Very high | 97.3 | Very high | 15 Ų | 15 | 15.1 Ų | 15.1 | 7% | 0.069 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.6 | -52.8 | -175.4 | -170.9 | 70.9 | 0 | 0 | 0 | 112.5 | G322 S326 L329 F331 F382 T388 S389 L390 | G322-H386 WeakPolarHBondContact O-CA 3.34Å; G322-H386 PolarHBondContact O-ND1 2.96Å; S326-H386 WeakPolarHBondContact OG-CA 3.5Å; S326-H386 PolarHBondContact OG-CE1 3.04Å; S326-H386 PolarHBondContact OG-ND1 3.09Å; S326-H386 PolarHBondContact OG-O 2.79Å; L329-H386 PolarHBondContact O-CE1 3.44Å; F331-H386 PolarHBondContact O-NE2 2.95Å; F382-H386 HydrophobicContact CD1-CB 4.39Å; F382-H386 HydrophobicContact CE1-CB 4.14Å; F382-H386 WeakPolarHBondContact O-CB 3.35Å; F382-H386 PolarHBondContact O-N 2.95Å; H386-T388 PolarHBondContact O-N 3.3Å; H386-S389 WeakPolarHBondContact O-CB 3.39Å; H386-S389 PolarHBondContact O-N 3.04Å; H386-L390 WeakPolarHBondContact O-CG 3.28Å; H386-L390 PolarHBondContact O-N 3.49Å |
| 387 | L | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.7 | -36.2 | -176.9 | -56.8 | 173.7 | 0 | 0 | 0 | 111.5 | I277 L337 P340 V341 R344 T383 G385 S389 L390 V391 | I277-L387 HydrophobicContact CD1-CB 3.65Å; I277-L387 HydrophobicContact CG1-CB 4.29Å; L337-L387 HydrophobicContact CD1-CD2 3.53Å; P340-L387 HydrophobicContact CB-CD1 4.15Å; P340-L387 HydrophobicContact CB-CD2 4.21Å; P340-L387 HydrophobicContact CG-CD1 4.46Å; P340-L387 HydrophobicContact CG-CD2 3.87Å; V341-L387 HydrophobicContact CG2-CB 4.31Å; V341-L387 HydrophobicContact CG2-CD1 3.96Å; R344-L387 HydrophobicContact CG-CD1 4.39Å; T383-L387 VanDerWaalsContact O-CB 3.23Å; T383-L387 WeakPolarHBondContact O-CB 3.43Å; T383-L387 WeakPolarHBondContact O-CD1 3.43Å; T383-L387 WeakPolarHBondContact O-CG 3.19Å; T383-L387 PolarHBondContact O-N 2.81Å; G385-L387 PolarHBondContact O-N 3.08Å; L387-S389 PolarHBondContact O-N 2.93Å; L387-L390 PolarHBondContact O-N 3.09Å; L387-V391 WeakPolarHBondContact O-CG2 3.37Å; L387-V391 PolarHBondContact O-N 3.39Å |
| 388 | T | 97.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 174.2 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | V166 I274 F278 S384 G385 H386 L390 V391 M392 | V166-T388 HydrophobicContact CG1-CG2 3.64Å; V166-T388 HydrophobicContact CG2-CG2 4.36Å; I274-T388 HydrophobicContact CD1-CG2 3.85Å; F278-T388 HydrophobicContact CE2-CG2 3.77Å; F278-T388 HydrophobicContact CZ-CG2 4.07Å; S384-T388 WeakPolarHBondContact O-CB 3.4Å; S384-T388 PolarHBondContact O-N 3.31Å; S384-T388 PolarHBondContact O-OG1 3.36Å; G385-T388 PolarHBondContact O-N 3.06Å; H386-T388 PolarHBondContact O-N 3.3Å; T388-L390 PolarHBondContact O-N 2.99Å; T388-V391 PolarHBondContact O-N 3.47Å; T388-M392 HydrophobicContact CG2-CG 4.39Å; T388-M392 WeakPolarHBondContact O-CB 3.07Å; T388-M392 WeakPolarHBondContact O-CG 3.45Å; T388-M392 PolarHBondContact O-N 3.13Å |
| 389 | S | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 176.3 | -80.8 | 0 | 0 | 0 | 0 | 111.8 | N163 N323 S326 G385 H386 L387 M392 M393 | N163-S389 WeakPolarHBondContact OD1-CB 3.24Å; N163-S389 PolarHBondContact OD1-OG 3.32Å; N323-S389 WeakPolarHBondContact CA-OG 3.43Å; N323-S389 WeakPolarHBondContact CB-OG 3.44Å; N323-S389 PolarHBondContact ND2-OG 2.95Å; S326-S389 VanDerWaalsContact CB-CB 3.46Å; S326-S389 VanDerWaalsContact OG-CB 3.28Å; S326-S389 WeakPolarHBondContact OG-CB 3.37Å; G385-S389 WeakPolarHBondContact O-CB 3.4Å; G385-S389 PolarHBondContact O-N 2.62Å; G385-S389 PolarHBondContact O-OG 3.23Å; H386-S389 WeakPolarHBondContact O-CB 3.39Å; H386-S389 PolarHBondContact O-N 3.04Å; L387-S389 PolarHBondContact O-N 2.93Å; S389-M392 PolarHBondContact O-N 3.39Å; S389-M393 VanDerWaalsContact C-CE 3.49Å; S389-M393 WeakPolarHBondContact O-CB 3.5Å; S389-M393 WeakPolarHBondContact O-CE 3.34Å; S389-M393 VanDerWaalsContact O-CG 3.24Å; S389-M393 WeakPolarHBondContact O-CG 3.38Å; S389-M393 PolarHBondContact O-N 3.36Å |
| 390 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.5 | -65.3 | -177.4 | 0 | 0 | 0 | 112.1 | R330 F331 L337 H386 L387 T388 M392 M393 Y394 | R330-L390 HydrophobicContact CB-CD2 4.21Å; R330-L390 HydrophobicContact CG-CD2 4.41Å; F331-L390 WeakPolarHBondContact O-CD1 3.42Å; L337-L390 HydrophobicContact CD1-CB 4.12Å; L337-L390 HydrophobicContact CD1-CD1 3.74Å; L337-L390 HydrophobicContact CD2-CB 3.87Å; H386-L390 WeakPolarHBondContact O-CG 3.28Å; H386-L390 PolarHBondContact O-N 3.49Å; L387-L390 PolarHBondContact O-N 3.09Å; T388-L390 PolarHBondContact O-N 2.99Å; L390-M392 PolarHBondContact O-N 3.4Å; L390-M393 HydrophobicContact CD2-CE 3.99Å; L390-M393 PolarHBondContact O-N 2.89Å; L390-Y394 HydrophobicContact CB-CD2 4.17Å; L390-Y394 HydrophobicContact CB-CE2 3.79Å; L390-Y394 HydrophobicContact CD2-CE2 4.24Å; L390-Y394 HydrophobicContact CG-CE2 4.4Å; L390-Y394 WeakPolarHBondContact O-CB 3.43Å; L390-Y394 WeakPolarHBondContact O-CD2 3.13Å; L390-Y394 PolarHBondContact O-N 3.48Å |
| 391 | V | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.7 | -51.1 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | Q270 N273 I274 I277 L337 L387 T388 M393 Y394 L395 | Q270-V391 HydrophobicContact CB-CG1 4.13Å; Q270-V391 WeakPolarHBondContact O-CG1 3.19Å; N273-V391 HydrophobicContact CB-CG2 3.68Å; I274-V391 HydrophobicContact CB-CG1 3.83Å; I274-V391 HydrophobicContact CD1-CB 4.46Å; I274-V391 HydrophobicContact CD1-CG1 4.37Å; I277-V391 HydrophobicContact CD1-CG2 4.03Å; L337-V391 HydrophobicContact CD2-CB 4.42Å; L337-V391 HydrophobicContact CD2-CG2 3.5Å; L337-V391 VanDerWaalsContact CD2-CG2 3.5Å; L337-V391 HydrophobicContact CG-CG2 4.39Å; L387-V391 WeakPolarHBondContact O-CG2 3.37Å; L387-V391 PolarHBondContact O-N 3.39Å; T388-V391 PolarHBondContact O-N 3.47Å; V391-M393 VanDerWaalsContact C-N 3.26Å; V391-M393 PolarHBondContact O-N 3.31Å; V391-Y394 PolarHBondContact O-N 2.89Å; V391-L395 HydrophobicContact CG1-CD1 4.42Å; V391-L395 WeakPolarHBondContact O-CB 3.5Å; V391-L395 PolarHBondContact O-N 2.88Å |
| 392 | M | 95.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.02 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.4 | -25.5 | -177.4 | -69.9 | -61.4 | -167.4 | 0 | 0 | 113.1 | Y151 S162 V166 I274 T388 S389 L390 P396 A411 L415 | Y151-M392 HydrophobicContact CD1-CE 4.49Å; Y151-M392 HydrophobicContact CD1-SD 4.14Å; Y151-M392 HydrophobicContact CE1-CE 4.08Å; Y151-M392 HydrophobicContact CE1-CG 4.12Å; Y151-M392 HydrophobicContact CE1-SD 3.99Å; Y151-M392 HydrophobicContact CE2-CE 4.4Å; S162-M392 WeakPolarHBondContact CB-O 3.49Å; V166-M392 HydrophobicContact CG2-CB 3.7Å; V166-M392 HydrophobicContact CG2-CG 3.69Å; I274-M392 HydrophobicContact CD1-CE 3.88Å; I274-M392 HydrophobicContact CD1-CG 4.48Å; I274-M392 HydrophobicContact CG1-CE 3.91Å; T388-M392 HydrophobicContact CG2-CG 4.39Å; T388-M392 WeakPolarHBondContact O-CB 3.07Å; T388-M392 WeakPolarHBondContact O-CG 3.45Å; T388-M392 PolarHBondContact O-N 3.13Å; S389-M392 PolarHBondContact O-N 3.39Å; L390-M392 PolarHBondContact O-N 3.4Å; M392-P396 WeakPolarHBondContact O-CD 3.47Å; M392-A411 HydrophobicContact CE-CB 4.13Å; M392-A411 HydrophobicContact SD-CB 3.7Å; M392-L415 HydrophobicContact CE-CB 4.37Å; M392-L415 HydrophobicContact CE-CD1 3.69Å |
| 393 | M | 95.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -77.2 | -44.3 | 172.1 | -77.2 | -171.8 | -78.6 | 0 | 0 | 112.9 | M159 N163 S389 L390 V391 | M159-M393 HydrophobicContact CB-CB 4.14Å; M159-M393 HydrophobicContact CB-CG 4.17Å; M159-M393 WeakPolarHBondContact CG-O 3.32Å; N163-M393 HydrophobicContact CB-CE 4.34Å; N163-M393 HydrophobicContact CB-CG 3.78Å; N163-M393 HydrophobicContact CB-SD 3.73Å; S389-M393 VanDerWaalsContact C-CE 3.49Å; S389-M393 WeakPolarHBondContact O-CB 3.5Å; S389-M393 WeakPolarHBondContact O-CE 3.34Å; S389-M393 VanDerWaalsContact O-CG 3.24Å; S389-M393 WeakPolarHBondContact O-CG 3.38Å; S389-M393 PolarHBondContact O-N 3.36Å; L390-M393 HydrophobicContact CD2-CE 3.99Å; L390-M393 PolarHBondContact O-N 2.89Å; V391-M393 VanDerWaalsContact C-N 3.26Å; V391-M393 PolarHBondContact O-N 3.31Å |
| 394 | Y | 95.7 | Very high | 93.4 | Very high | 29 Ų | 29 | 25.1 Ų | 25.1 | 11% | 0.114 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76.5 | -43.2 | -174 | -64.5 | -30.5 | 0 | 0 | 0 | 112.7 | R330 P332 A334 L337 L390 V391 R397 L398 | R330-Y394 WeakPolarHBondContact CB-OH 3.41Å; R330-Y394 PolarHBondContact O-OH 2.99Å; R330-Y394 VanDerWaalsContact O-OH 3.04Å; P332-Y394 PolarHBondContact O-OH 3.39Å; A334-Y394 HydrophobicContact CB-CD2 3.7Å; A334-Y394 HydrophobicContact CB-CE2 4.27Å; A334-Y394 HydrophobicContact CB-CG 3.93Å; L337-Y394 HydrophobicContact CD2-CD2 4.05Å; L337-Y394 HydrophobicContact CD2-CE2 4.27Å; L390-Y394 HydrophobicContact CB-CD2 4.17Å; L390-Y394 HydrophobicContact CB-CE2 3.79Å; L390-Y394 HydrophobicContact CD2-CE2 4.24Å; L390-Y394 HydrophobicContact CG-CE2 4.4Å; L390-Y394 WeakPolarHBondContact O-CB 3.43Å; L390-Y394 WeakPolarHBondContact O-CD2 3.13Å; L390-Y394 PolarHBondContact O-N 3.48Å; V391-Y394 PolarHBondContact O-N 2.89Å; Y394-R397 WeakPolarHBondContact O-CA 3.42Å; Y394-R397 WeakPolarHBondContact O-CB 3.43Å; Y394-R397 PolarHBondContact O-N 3.38Å; Y394-L398 PolarHBondContact O-N 2.95Å |
| 395 | L | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -54.2 | -47.8 | -168.4 | -175.1 | 159.7 | 0 | 0 | 0 | 113.3 | V267 Q270 L271 V391 R397 L398 A407 A411 | V267-L395 HydrophobicContact CB-CD2 4.45Å; V267-L395 HydrophobicContact CB-CG 4.07Å; V267-L395 HydrophobicContact CG1-CD2 4.33Å; V267-L395 HydrophobicContact CG1-CG 4.19Å; V267-L395 HydrophobicContact CG2-CD2 4.47Å; V267-L395 HydrophobicContact CG2-CG 4.48Å; Q270-L395 HydrophobicContact CB-CB 4.01Å; Q270-L395 HydrophobicContact CB-CD1 3.65Å; Q270-L395 HydrophobicContact CB-CG 3.95Å; Q270-L395 HydrophobicContact CG-CB 4.42Å; L271-L395 HydrophobicContact CD2-CD1 3.87Å; L271-L395 HydrophobicContact CG-CD1 4.41Å; V391-L395 HydrophobicContact CG1-CD1 4.42Å; V391-L395 WeakPolarHBondContact O-CB 3.5Å; V391-L395 PolarHBondContact O-N 2.88Å; L395-R397 PolarHBondContact O-N 2.87Å; L395-R397 VanDerWaalsContact O-N 3.12Å; L395-L398 PolarHBondContact O-N 2.89Å; L395-A407 HydrophobicContact CD2-CB 3.54Å; L395-A407 WeakPolarHBondContact CD2-O 3.4Å; L395-A411 HydrophobicContact CD1-CB 3.53Å; L395-A411 HydrophobicContact CD2-CB 4.14Å; L395-A411 HydrophobicContact CG-CB 4.43Å |
| 396 | P | 93 | Very high | 92.7 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -68.8 | -12.5 | 179.8 | -16.7 | 31.5 | 0 | 0 | 0 | 113.8 | A155 M392 S404 A408 | A155-P396 HydrophobicContact CB-CB 3.99Å; A155-P396 HydrophobicContact CB-CG 4.3Å; M392-P396 WeakPolarHBondContact O-CD 3.47Å; P396-S404 VanDerWaalsContact CB-OG 3.31Å; P396-S404 WeakPolarHBondContact CB-OG 3.32Å; P396-S404 PolarHBondContact O-OG 3.16Å; P396-A408 HydrophobicContact CG-CB 3.97Å |
| 397 | R | 93 | Very high | 92.5 | Very high | 95 Ų | 95 | 27.1 Ų | 27.1 | 36% | 0.358 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -93.3 | -12.8 | 178.5 | -53.6 | -58.3 | 170.1 | -157 | -15.5 | 114 | F157 P158 M159 Y394 L395 | F157-R397 PolarHBondContact O-NH2 3.26Å; P158-R397 VanDerWaalsContact C-NH2 3.25Å; M159-R397 HydrophobicContact CE-CG 4.05Å; M159-R397 HydrophobicContact CG-CG 3.63Å; M159-R397 VanDerWaalsContact N-NH2 3.17Å; M159-R397 HydrophobicContact SD-CG 3.75Å; Y394-R397 WeakPolarHBondContact O-CA 3.42Å; Y394-R397 WeakPolarHBondContact O-CB 3.43Å; Y394-R397 PolarHBondContact O-N 3.38Å; L395-R397 PolarHBondContact O-N 2.87Å; L395-R397 VanDerWaalsContact O-N 3.12Å |
| 398 | L | 93.2 | Very high | 92.3 | Very high | 78 Ų | 78 | 27 Ų | 27 | 41% | 0.408 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -78.2 | -13.3 | 175 | -62.5 | 179.5 | 0 | 0 | 0 | 112.1 | V267 Q270 A334 Y394 L395 | V267-L398 HydrophobicContact CG1-CB 4.08Å; Q270-L398 HydrophobicContact CG-CD1 3.47Å; Q270-L398 VanDerWaalsContact CG-CD1 3.47Å; A334-L398 HydrophobicContact CB-CD2 4.45Å; Y394-L398 PolarHBondContact O-N 2.95Å; L395-L398 PolarHBondContact O-N 2.89Å |
| 399 | V | 91.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -115.4 | 161 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | V263 Q266 V267 Q403 A407 | V263-V399 HydrophobicContact CG1-CG1 4.48Å; Q266-V399 HydrophobicContact CB-CG1 4.28Å; V267-V399 HydrophobicContact CG1-CG1 3.47Å; V267-V399 VanDerWaalsContact CG1-CG1 3.47Å; V399-Q403 HydrophobicContact CB-CB 4.13Å; V399-Q403 HydrophobicContact CG2-CB 4.14Å; V399-A407 HydrophobicContact CG1-CB 4.26Å; V399-A407 HydrophobicContact CG2-CB 3.74Å |
| 400 | G | 86.1 | Confident | 91.9 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 45% | 0.454 | 15% | 0.154 | S | C | . | . | trans | -62.2 | 155.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K402 Q403 S404 | G400-K402 PolarHBondContact O-N 3.38Å; G400-Q403 PolarHBondContact O-N 3.22Å; G400-S404 PolarHBondContact O-N 3.44Å; G400-S404 VanDerWaalsContact O-N 3.11Å | ||
| 401 | A | 82.4 | Confident | 91.8 | Very high | 76 Ų | 76 | 27.5 Ų | 27.5 | 63% | 0.628 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -51.3 | -33.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | Q403 S404 | A401-Q403 VanDerWaalsContact C-N 3.25Å; A401-Q403 PolarHBondContact O-N 3Å; A401-S404 PolarHBondContact O-N 2.88Å |
| 402 | K | 80.6 | Confident | 91.7 | Very high | 108 Ų | 108 | 27.5 Ų | 27.5 | 47% | 0.47 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -55.9 | -34.6 | 175.4 | -60.5 | 178.3 | 172.6 | -157 | 0 | 113.6 | T231 S235 G400 | T231-K402 HydrophobicContact CG2-CG 4.04Å; S235-K402 WeakPolarHBondContact OG-CD 3.36Å; S235-K402 WeakPolarHBondContact OG-CE 3.34Å; S235-K402 VanDerWaalsContact OG-CG 3.32Å; S235-K402 WeakPolarHBondContact OG-CG 3.34Å; S235-K402 PolarHBondContact OG-NZ 2.92Å; G400-K402 PolarHBondContact O-N 3.38Å |
| 403 | Q | 86.8 | Confident | 91.7 | Very high | 41 Ų | 41 | 27.8 Ų | 27.8 | 19% | 0.192 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -111.2 | -6.1 | -173.1 | -70.9 | 174.1 | -16.9 | 0 | 0 | 113.1 | V263 V399 G400 A401 R405 T406 A407 | V263-Q403 HydrophobicContact CG2-CB 3.65Å; V263-Q403 HydrophobicContact CG2-CG 3.66Å; V399-Q403 HydrophobicContact CB-CB 4.13Å; V399-Q403 HydrophobicContact CG2-CB 4.14Å; G400-Q403 PolarHBondContact O-N 3.22Å; A401-Q403 VanDerWaalsContact C-N 3.25Å; A401-Q403 PolarHBondContact O-N 3Å; Q403-R405 VanDerWaalsContact C-N 3.32Å; Q403-R405 PolarHBondContact O-N 3.32Å; Q403-T406 PolarHBondContact O-N 3.21Å; Q403-T406 VanDerWaalsContact O-N 3.13Å; Q403-A407 PolarHBondContact O-N 3.18Å |
| 404 | S | 90.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -51.9 | -46 | -177.4 | -177 | 0 | 0 | 0 | 0 | 112.8 | A155 P396 G400 A401 A407 A408 | A155-S404 WeakPolarHBondContact CB-OG 3.4Å; A155-S404 PolarHBondContact O-OG 3.29Å; A155-S404 VanDerWaalsContact O-OG 3.07Å; P396-S404 VanDerWaalsContact CB-OG 3.31Å; P396-S404 WeakPolarHBondContact CB-OG 3.32Å; P396-S404 PolarHBondContact O-OG 3.16Å; G400-S404 PolarHBondContact O-N 3.44Å; G400-S404 VanDerWaalsContact O-N 3.11Å; A401-S404 PolarHBondContact O-N 2.88Å; S404-A407 PolarHBondContact O-N 2.88Å; S404-A408 WeakPolarHBondContact O-CB 3.44Å; S404-A408 PolarHBondContact O-N 3.49Å |
| 405 | R | 90.9 | Very high | 91.8 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 6% | 0.057 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -51.4 | 177.1 | -67.3 | -173 | 174.6 | 157.1 | -3.6 | 112.1 | G152 D156 A228 E232 Q403 A407 A408 M409 | G152-R405 WeakPolarHBondContact O-CG 3.38Å; D156-R405 VanDerWaalsContact CG-NE 3.26Å; D156-R405 WeakPolarHBondContact OD1-CG 3.42Å; D156-R405 IonicContact OD1-CZ 3.58Å; D156-R405 IonicContact OD1-NE 2.79Å; D156-R405 PolarHBondContact OD1-NE 3.45Å; D156-R405 IonicContact OD1-NH2 3.6Å; D156-R405 IonicContact OD2-CZ 3.26Å; D156-R405 VanDerWaalsContact OD2-CZ 3.26Å; D156-R405 IonicContact OD2-NE 2.96Å; D156-R405 PolarHBondContact OD2-NE 2.91Å; D156-R405 IonicContact OD2-NH2 2.69Å; D156-R405 PolarHBondContact OD2-NH2 3.16Å; A228-R405 VanDerWaalsContact CB-NH2 3.3Å; E232-R405 IonicContact OE2-CZ 3.82Å; E232-R405 IonicContact OE2-NH1 2.75Å; E232-R405 PolarHBondContact OE2-NH1 3.41Å; Q403-R405 VanDerWaalsContact C-N 3.32Å; Q403-R405 PolarHBondContact O-N 3.32Å; R405-A407 VanDerWaalsContact C-N 3.33Å; R405-A407 PolarHBondContact O-N 3.15Å; R405-A408 PolarHBondContact O-N 2.92Å; R405-M409 VanDerWaalsContact O-CG 3.28Å; R405-M409 WeakPolarHBondContact O-CG 3.39Å; R405-M409 PolarHBondContact O-N 3.4Å |
| 406 | T | 89.6 | Confident | 91.8 | Very high | 47 Ų | 47 | 29.5 Ų | 29.5 | 29% | 0.288 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.9 | -42.3 | -178.5 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | L260 Q403 M409 M410 | L260-T406 HydrophobicContact CD1-CG2 4.13Å; Q403-T406 PolarHBondContact O-N 3.21Å; Q403-T406 VanDerWaalsContact O-N 3.13Å; T406-M409 PolarHBondContact O-N 2.93Å; T406-M410 HydrophobicContact CG2-CE 3.84Å; T406-M410 VanDerWaalsContact O-CG 3.32Å; T406-M410 WeakPolarHBondContact O-CG 3.45Å; T406-M410 PolarHBondContact O-N 2.71Å |
| 407 | A | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V263 L395 V399 Q403 S404 R405 M409 M410 A411 | V263-A407 HydrophobicContact CG1-CB 3.82Å; L395-A407 HydrophobicContact CD2-CB 3.54Å; L395-A407 WeakPolarHBondContact CD2-O 3.4Å; V399-A407 HydrophobicContact CG1-CB 4.26Å; V399-A407 HydrophobicContact CG2-CB 3.74Å; Q403-A407 PolarHBondContact O-N 3.18Å; S404-A407 PolarHBondContact O-N 2.88Å; R405-A407 VanDerWaalsContact C-N 3.33Å; R405-A407 PolarHBondContact O-N 3.15Å; A407-M409 PolarHBondContact O-N 2.88Å; A407-M410 WeakPolarHBondContact O-CB 3.31Å; A407-M410 PolarHBondContact O-N 2.77Å; A407-A411 PolarHBondContact O-N 3.32Å |
| 408 | A | 94.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y151 A155 P396 S404 R405 A411 A412 | Y151-A408 WeakPolarHBondContact O-CB 3.29Å; A155-A408 HydrophobicContact CB-CB 3.63Å; P396-A408 HydrophobicContact CG-CB 3.97Å; S404-A408 WeakPolarHBondContact O-CB 3.44Å; S404-A408 PolarHBondContact O-N 3.49Å; R405-A408 PolarHBondContact O-N 2.92Å; A408-A411 WeakPolarHBondContact O-CB 3.37Å; A408-A411 PolarHBondContact O-N 3.15Å; A408-A412 PolarHBondContact O-N 2.86Å; A408-A412 VanDerWaalsContact O-N 3.11Å |
| 409 | M | 93.7 | Very high | 92.3 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 173.8 | -71.2 | 174.1 | 69.3 | 0 | 0 | 112.1 | N86 T87 L95 N148 R405 T406 A407 A411 A412 L413 | N86-M409 WeakPolarHBondContact O-CE 3.35Å; T87-M409 HydrophobicContact CG2-CB 4.18Å; L95-M409 HydrophobicContact CD2-SD 4.2Å; N148-M409 HydrophobicContact CB-CE 4.36Å; N148-M409 HydrophobicContact CB-CG 4.47Å; N148-M409 VanDerWaalsContact O-CG 3.28Å; N148-M409 WeakPolarHBondContact O-CG 3.22Å; R405-M409 VanDerWaalsContact O-CG 3.28Å; R405-M409 WeakPolarHBondContact O-CG 3.39Å; R405-M409 PolarHBondContact O-N 3.4Å; T406-M409 PolarHBondContact O-N 2.93Å; A407-M409 PolarHBondContact O-N 2.88Å; M409-A411 VanDerWaalsContact C-N 3.31Å; M409-A411 PolarHBondContact O-N 2.94Å; M409-A412 PolarHBondContact O-N 3.27Å; M409-L413 PolarHBondContact O-N 3.19Å |
| 410 | M | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -38.7 | 172.6 | -72.5 | 173.4 | 177.1 | 0 | 0 | 111.7 | T87 F88 L260 V263 I264 L271 T406 A407 A412 L413 F414 | T87-M410 HydrophobicContact CG2-CG 3.91Å; F88-M410 HydrophobicContact CE1-CE 4.03Å; L260-M410 HydrophobicContact CB-CE 4.45Å; L260-M410 HydrophobicContact CD1-CE 3.14Å; L260-M410 HydrophobicContact CG-CE 3.44Å; L260-M410 VanDerWaalsContact CG-CE 3.44Å; V263-M410 HydrophobicContact CB-CE 4.25Å; V263-M410 HydrophobicContact CB-SD 4.35Å; V263-M410 HydrophobicContact CG1-CE 4.07Å; V263-M410 HydrophobicContact CG1-SD 3.6Å; V263-M410 VanDerWaalsContact CG1-SD 3.6Å; I264-M410 HydrophobicContact CD1-CE 4.13Å; I264-M410 HydrophobicContact CG1-CE 3.77Å; I264-M410 HydrophobicContact CG1-SD 3.77Å; L271-M410 HydrophobicContact CD2-CB 3.89Å; T406-M410 HydrophobicContact CG2-CE 3.84Å; T406-M410 VanDerWaalsContact O-CG 3.32Å; T406-M410 WeakPolarHBondContact O-CG 3.45Å; T406-M410 PolarHBondContact O-N 2.71Å; A407-M410 WeakPolarHBondContact O-CB 3.31Å; A407-M410 PolarHBondContact O-N 2.77Å; M410-A412 VanDerWaalsContact C-N 3.31Å; M410-A412 PolarHBondContact O-N 3.21Å; M410-L413 WeakPolarHBondContact O-CB 3.4Å; M410-L413 PolarHBondContact O-N 3.45Å; M410-F414 WeakPolarHBondContact O-CD2 3.47Å; M410-F414 PolarHBondContact O-N 3.19Å |
| 411 | A | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M392 L395 A407 A408 M409 F414 L415 | M392-A411 HydrophobicContact CE-CB 4.13Å; M392-A411 HydrophobicContact SD-CB 3.7Å; L395-A411 HydrophobicContact CD1-CB 3.53Å; L395-A411 HydrophobicContact CD2-CB 4.14Å; L395-A411 HydrophobicContact CG-CB 4.43Å; A407-A411 PolarHBondContact O-N 3.32Å; A408-A411 WeakPolarHBondContact O-CB 3.37Å; A408-A411 PolarHBondContact O-N 3.15Å; M409-A411 VanDerWaalsContact C-N 3.31Å; M409-A411 PolarHBondContact O-N 2.94Å; A411-F414 PolarHBondContact O-N 3.3Å; A411-L415 WeakPolarHBondContact O-CB 3.45Å; A411-L415 PolarHBondContact O-N 2.95Å |
| 412 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N148 Y151 A408 M409 M410 L415 V416 | N148-A412 WeakPolarHBondContact OD1-CB 3.18Å; Y151-A412 HydrophobicContact CD2-CB 3.58Å; Y151-A412 HydrophobicContact CE2-CB 4.29Å; Y151-A412 HydrophobicContact CG-CB 4.16Å; A408-A412 PolarHBondContact O-N 2.86Å; A408-A412 VanDerWaalsContact O-N 3.11Å; M409-A412 PolarHBondContact O-N 3.27Å; M410-A412 VanDerWaalsContact C-N 3.31Å; M410-A412 PolarHBondContact O-N 3.21Å; A412-L415 WeakPolarHBondContact O-CB 3.46Å; A412-L415 PolarHBondContact O-N 3.43Å; A412-V416 WeakPolarHBondContact O-CG2 3.5Å; A412-V416 PolarHBondContact O-N 3.04Å |
| 413 | L | 95.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 172.4 | 175.2 | 65 | 0 | 0 | 0 | 112.5 | L80 L84 F88 M409 M410 L415 V416 L417 | L80-L413 HydrophobicContact CD1-CD1 3.92Å; L84-L413 HydrophobicContact CB-CD1 4.13Å; F88-L413 HydrophobicContact CE2-CD2 3.51Å; F88-L413 HydrophobicContact CZ-CD2 3.76Å; M409-L413 PolarHBondContact O-N 3.19Å; M410-L413 WeakPolarHBondContact O-CB 3.4Å; M410-L413 PolarHBondContact O-N 3.45Å; L413-L415 VanDerWaalsContact C-N 3.29Å; L413-L415 PolarHBondContact O-N 3.35Å; L413-V416 PolarHBondContact O-N 3.02Å; L413-L417 PolarHBondContact O-N 3.38Å |
| 414 | F | 96.7 | Very high | 94.6 | Very high | 54 Ų | 54 | 21.4 Ų | 21.4 | 24% | 0.237 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.3 | -28.5 | 179.4 | -88.3 | -109.9 | 0 | 0 | 0 | 112.4 | L271 I274 F275 M410 A411 L417 G418 | L271-F414 HydrophobicContact CB-CD1 3.84Å; L271-F414 HydrophobicContact CB-CD2 4.44Å; L271-F414 HydrophobicContact CB-CE1 4.02Å; L271-F414 HydrophobicContact CB-CG 4.07Å; L271-F414 HydrophobicContact CB-CZ 4.39Å; L271-F414 HydrophobicContact CD1-CD2 4.44Å; L271-F414 HydrophobicContact CD1-CE2 4.11Å; L271-F414 HydrophobicContact CD1-CZ 4.23Å; L271-F414 HydrophobicContact CD2-CB 4.38Å; L271-F414 HydrophobicContact CD2-CD2 3.98Å; L271-F414 HydrophobicContact CD2-CE2 4.45Å; L271-F414 HydrophobicContact CD2-CG 4.12Å; L271-F414 WeakPolarHBondContact O-CD1 3.28Å; I274-F414 HydrophobicContact CG2-CB 3.75Å; F275-F414 WeakPolarHBondContact CA-O 2.98Å; F275-F414 HydrophobicContact CB-CB 4.44Å; F275-F414 HydrophobicContact CB-CD1 4.15Å; M410-F414 WeakPolarHBondContact O-CD2 3.47Å; M410-F414 PolarHBondContact O-N 3.19Å; A411-F414 PolarHBondContact O-N 3.3Å; F414-L417 PolarHBondContact O-N 2.87Å; F414-G418 PolarHBondContact O-N 3.38Å |
| 415 | L | 96.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -51.7 | 167.2 | 178.4 | 160.7 | 0 | 0 | 0 | 110.4 | I274 F278 M392 A411 A412 L413 L417 G418 V419 | I274-L415 HydrophobicContact CD1-CD1 4.37Å; I274-L415 HydrophobicContact CG1-CB 3.84Å; I274-L415 HydrophobicContact CG1-CD1 4.42Å; I274-L415 HydrophobicContact CG1-CG 4.45Å; F278-L415 HydrophobicContact CD1-CD2 4.3Å; F278-L415 HydrophobicContact CD1-CG 4.08Å; F278-L415 HydrophobicContact CD2-CB 4.37Å; F278-L415 HydrophobicContact CD2-CD1 4.05Å; F278-L415 HydrophobicContact CD2-CG 3.65Å; F278-L415 HydrophobicContact CE1-CD1 4.16Å; F278-L415 HydrophobicContact CE1-CD2 4.22Å; F278-L415 HydrophobicContact CE1-CG 4.02Å; F278-L415 HydrophobicContact CE2-CD1 3.43Å; F278-L415 VanDerWaalsContact CE2-CD1 3.43Å; F278-L415 HydrophobicContact CE2-CG 3.57Å; F278-L415 HydrophobicContact CG-CG 3.91Å; F278-L415 HydrophobicContact CZ-CD1 3.49Å; F278-L415 VanDerWaalsContact CZ-CD1 3.49Å; F278-L415 HydrophobicContact CZ-CD2 4.37Å; F278-L415 HydrophobicContact CZ-CG 3.77Å; M392-L415 HydrophobicContact CE-CB 4.37Å; M392-L415 HydrophobicContact CE-CD1 3.69Å; A411-L415 WeakPolarHBondContact O-CB 3.45Å; A411-L415 PolarHBondContact O-N 2.95Å; A412-L415 WeakPolarHBondContact O-CB 3.46Å; A412-L415 PolarHBondContact O-N 3.43Å; L413-L415 VanDerWaalsContact C-N 3.29Å; L413-L415 PolarHBondContact O-N 3.35Å; L415-L417 VanDerWaalsContact C-N 3.3Å; L415-L417 PolarHBondContact O-N 3.2Å; L415-G418 PolarHBondContact O-N 3.05Å; L415-G418 VanDerWaalsContact O-N 3.11Å; L415-V419 HydrophobicContact CD2-CG2 4.16Å; L415-V419 WeakPolarHBondContact O-CG2 3.37Å; L415-V419 PolarHBondContact O-N 2.92Å |
| 416 | V | 95.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 178.1 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | L80 A412 L413 G418 V419 V420 | L80-V416 HydrophobicContact CB-CG1 4.22Å; L80-V416 HydrophobicContact CD1-CG1 4.12Å; A412-V416 WeakPolarHBondContact O-CG2 3.5Å; A412-V416 PolarHBondContact O-N 3.04Å; L413-V416 PolarHBondContact O-N 3.02Å; V416-G418 VanDerWaalsContact C-N 3.34Å; V416-G418 PolarHBondContact O-N 2.7Å; V416-V419 WeakPolarHBondContact O-CB 3.22Å; V416-V419 PolarHBondContact O-N 3.5Å; V416-V420 HydrophobicContact CG1-CG2 4.38Å; V416-V420 VanDerWaalsContact O-CG2 3.23Å; V416-V420 WeakPolarHBondContact O-CG2 3.49Å; V416-V420 PolarHBondContact O-N 3.24Å |
| 417 | L | 96.5 | Very high | 95 | Very high | 56 Ų | 56 | 28.8 Ų | 28.8 | 29% | 0.293 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 174 | -175.6 | 63.7 | 0 | 0 | 0 | 111.7 | L80 F275 L413 F414 L415 V419 V420 C421 | L80-L417 HydrophobicContact CD1-CB 4.38Å; L80-L417 HydrophobicContact CD1-CD1 4.4Å; L80-L417 HydrophobicContact CD2-CD1 4.37Å; F275-L417 HydrophobicContact CD2-CB 4.22Å; F275-L417 HydrophobicContact CD2-CD2 4.12Å; F275-L417 HydrophobicContact CD2-CG 3.93Å; F275-L417 HydrophobicContact CE2-CD2 4.3Å; F275-L417 HydrophobicContact CE2-CG 3.94Å; L413-L417 PolarHBondContact O-N 3.38Å; F414-L417 PolarHBondContact O-N 2.87Å; L415-L417 VanDerWaalsContact C-N 3.3Å; L415-L417 PolarHBondContact O-N 3.2Å; L417-V419 VanDerWaalsContact C-N 3.32Å; L417-V419 PolarHBondContact O-N 3.31Å; L417-V420 PolarHBondContact O-N 3.36Å; L417-C421 WeakPolarHBondContact O-CB 3.32Å; L417-C421 PolarHBondContact O-N 2.69Å; L417-C421 PolarHBondContact O-SG 3.2Å; L417-C421 VanDerWaalsContact O-SG 3.37Å |
| 418 | G | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | F275 F279 F414 L415 V416 G422 | F275-G418 VanDerWaalsContact CD2-CA 3.46Å; F275-G418 WeakPolarHBondContact O-CA 3.46Å; F279-G418 VanDerWaalsContact CA-O 3.31Å; F279-G418 WeakPolarHBondContact CA-O 3.44Å; F279-G418 PolarHBondContact N-O 3.29Å; F414-G418 PolarHBondContact O-N 3.38Å; L415-G418 PolarHBondContact O-N 3.05Å; L415-G418 VanDerWaalsContact O-N 3.11Å; V416-G418 VanDerWaalsContact C-N 3.34Å; V416-G418 PolarHBondContact O-N 2.7Å; G418-G422 PolarHBondContact O-N 2.93Å |
| 419 | V | 95.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 13% | 0.133 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -50.8 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | F278 L282 L415 V416 L417 C421 G422 V423 | F278-V419 HydrophobicContact CB-CG2 4.21Å; F278-V419 HydrophobicContact CD1-CG2 3.75Å; F278-V419 HydrophobicContact CG-CG2 4.3Å; L282-V419 HydrophobicContact CD2-CG2 4Å; L282-V419 HydrophobicContact CG-CB 4.3Å; L282-V419 HydrophobicContact CG-CG1 4.18Å; L282-V419 HydrophobicContact CG-CG2 4.04Å; L415-V419 HydrophobicContact CD2-CG2 4.16Å; L415-V419 WeakPolarHBondContact O-CG2 3.37Å; L415-V419 PolarHBondContact O-N 2.92Å; V416-V419 WeakPolarHBondContact O-CB 3.22Å; V416-V419 PolarHBondContact O-N 3.5Å; L417-V419 VanDerWaalsContact C-N 3.32Å; L417-V419 PolarHBondContact O-N 3.31Å; V419-C421 PolarHBondContact O-N 2.7Å; V419-G422 PolarHBondContact O-N 2.99Å; V419-V423 HydrophobicContact CG1-CG2 4.49Å; V419-V423 WeakPolarHBondContact O-CG2 3.16Å; V419-V423 PolarHBondContact O-N 3.21Å |
| 420 | V | 95.1 | Very high | 94.6 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 16% | 0.164 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 179.9 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | Q76 L80 V416 L417 N424 | Q76-V420 HydrophobicContact CB-CG2 4.07Å; L80-V420 HydrophobicContact CB-CG2 4.41Å; L80-V420 HydrophobicContact CD2-CG2 4.32Å; V416-V420 HydrophobicContact CG1-CG2 4.38Å; V416-V420 VanDerWaalsContact O-CG2 3.23Å; V416-V420 WeakPolarHBondContact O-CG2 3.49Å; V416-V420 PolarHBondContact O-N 3.24Å; L417-V420 PolarHBondContact O-N 3.36Å; V420-N424 PolarHBondContact O-N 3.37Å; V420-N424 PolarHBondContact O-ND2 2.89Å |
| 421 | C | 96.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 40 Ų | 40 | 30% | 0.297 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.5 | -41.7 | -179.2 | -68 | 0 | 0 | 0 | 0 | 112 | F275 F279 L417 V419 N424 F425 | F275-C421 HydrophobicContact CE2-CB 3.96Å; F275-C421 HydrophobicContact CZ-CB 4.19Å; F279-C421 HydrophobicContact CD2-CB 3.75Å; F279-C421 HydrophobicContact CE2-CB 4.23Å; L417-C421 WeakPolarHBondContact O-CB 3.32Å; L417-C421 PolarHBondContact O-N 2.69Å; L417-C421 PolarHBondContact O-SG 3.2Å; L417-C421 VanDerWaalsContact O-SG 3.37Å; V419-C421 PolarHBondContact O-N 2.7Å; C421-N424 PolarHBondContact O-N 2.87Å; C421-F425 VanDerWaalsContact O-CB 3.28Å; C421-F425 WeakPolarHBondContact O-CB 3.27Å; C421-F425 PolarHBondContact O-N 3.4Å |
| 422 | G | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -50.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F279 T283 G418 V419 N424 F425 T426 | F279-G422 VanDerWaalsContact O-CA 3.28Å; F279-G422 WeakPolarHBondContact O-CA 3.47Å; T283-G422 WeakPolarHBondContact CA-O 3.31Å; T283-G422 PolarHBondContact OG1-O 3.43Å; G418-G422 PolarHBondContact O-N 2.93Å; V419-G422 PolarHBondContact O-N 2.99Å; G422-N424 VanDerWaalsContact C-N 3.27Å; G422-N424 PolarHBondContact O-N 3.38Å; G422-F425 PolarHBondContact O-N 3.27Å; G422-T426 PolarHBondContact O-N 2.8Å; G422-T426 PolarHBondContact O-OG1 3.2Å |
| 423 | V | 93.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.2 | -41.3 | 178.5 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | L282 V419 T426 | L282-V423 HydrophobicContact CB-CG2 4.02Å; L282-V423 HydrophobicContact CD1-CG2 4.33Å; L282-V423 HydrophobicContact CG-CG2 4.4Å; V419-V423 HydrophobicContact CG1-CG2 4.49Å; V419-V423 WeakPolarHBondContact O-CG2 3.16Å; V419-V423 PolarHBondContact O-N 3.21Å; V423-T426 WeakPolarHBondContact O-CB 3.48Å; V423-T426 PolarHBondContact O-N 3.16Å; V423-T426 PolarHBondContact O-OG1 2.95Å |
| 424 | N | 93 | Very high | 93.5 | Very high | 87 Ų | 87 | 44.1 Ų | 44.1 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.3 | -31.5 | 177.9 | -76.3 | -80.9 | 0 | 0 | 0 | 112.4 | V420 C421 G422 T426 F427 | V420-N424 PolarHBondContact O-N 3.37Å; V420-N424 PolarHBondContact O-ND2 2.89Å; C421-N424 PolarHBondContact O-N 2.87Å; G422-N424 VanDerWaalsContact C-N 3.27Å; G422-N424 PolarHBondContact O-N 3.38Å; N424-T426 PolarHBondContact O-N 3.43Å; N424-F427 WeakPolarHBondContact O-CB 3.47Å; N424-F427 WeakPolarHBondContact O-CD2 3.4Å; N424-F427 PolarHBondContact O-N 2.97Å |
| 425 | F | 95.5 | Very high | 92.9 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 34% | 0.338 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.2 | -23.4 | 177.9 | -167.3 | -107.8 | 0 | 0 | 0 | 112.6 | F279 T283 I348 C421 G422 F427 C428 V429 | F279-F425 HydrophobicContact CE1-CD1 4.27Å; F279-F425 HydrophobicContact CE2-CB 3.7Å; F279-F425 HydrophobicContact CE2-CD1 4.25Å; F279-F425 HydrophobicContact CE2-CD2 4.37Å; F279-F425 AromaticContact CE2-CG 3.86Å; F279-F425 HydrophobicContact CE2-CG 3.86Å; F279-F425 HydrophobicContact CZ-CB 3.92Å; F279-F425 AromaticContact CZ-CD1 3.57Å; F279-F425 HydrophobicContact CZ-CD1 3.57Å; F279-F425 HydrophobicContact CZ-CD2 4.04Å; F279-F425 HydrophobicContact CZ-CE1 4.08Å; F279-F425 HydrophobicContact CZ-CE2 4.48Å; F279-F425 AromaticContact CZ-CG 3.56Å; F279-F425 HydrophobicContact CZ-CG 3.56Å; T283-F425 HydrophobicContact CG2-CD1 3.67Å; T283-F425 HydrophobicContact CG2-CE1 4.39Å; I348-F425 HydrophobicContact CD1-CE1 4.33Å; C421-F425 VanDerWaalsContact O-CB 3.28Å; C421-F425 WeakPolarHBondContact O-CB 3.27Å; C421-F425 PolarHBondContact O-N 3.4Å; G422-F425 PolarHBondContact O-N 3.27Å; F425-F427 PolarHBondContact O-N 2.9Å; F425-C428 HydrophobicContact CD2-CB 3.95Å; F425-C428 HydrophobicContact CE2-CB 3.98Å; F425-C428 WeakPolarHBondContact O-CA 3.45Å; F425-C428 VanDerWaalsContact O-CB 3.29Å; F425-C428 WeakPolarHBondContact O-CB 3.18Å; F425-C428 PolarHBondContact O-N 2.83Å; F425-V429 HydrophobicContact CD1-CG2 4.02Å; F425-V429 HydrophobicContact CE1-CG2 3.88Å; F425-V429 PolarHBondContact O-N 3Å |
| 426 | T | 92.7 | Very high | 92.4 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.7 | -37.7 | 169.1 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | T283 A287 M288 G422 V423 N424 C428 V429 N430 | T283-T426 WeakPolarHBondContact CA-OG1 3.42Å; T283-T426 PolarHBondContact O-OG1 2.91Å; A287-T426 HydrophobicContact CB-CG2 3.62Å; M288-T426 HydrophobicContact CG-CG2 4.38Å; G422-T426 PolarHBondContact O-N 2.8Å; G422-T426 PolarHBondContact O-OG1 3.2Å; V423-T426 WeakPolarHBondContact O-CB 3.48Å; V423-T426 PolarHBondContact O-N 3.16Å; V423-T426 PolarHBondContact O-OG1 2.95Å; N424-T426 PolarHBondContact O-N 3.43Å; T426-C428 VanDerWaalsContact C-N 3.28Å; T426-C428 PolarHBondContact O-N 3.37Å; T426-V429 PolarHBondContact O-N 3.48Å; T426-V429 VanDerWaalsContact O-N 3.14Å; T426-N430 PolarHBondContact O-N 3.41Å |
| 427 | F | 91 | Very high | 91.7 | Very high | 135 Ų | 135 | 53.1 Ų | 53.1 | 59% | 0.592 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.3 | -37.2 | 175.8 | -63.6 | -68.6 | 0 | 0 | 0 | 112.1 | N424 F425 N430 Y431 | N424-F427 WeakPolarHBondContact O-CB 3.47Å; N424-F427 WeakPolarHBondContact O-CD2 3.4Å; N424-F427 PolarHBondContact O-N 2.97Å; F425-F427 PolarHBondContact O-N 2.9Å; F427-N430 PolarHBondContact O-N 2.96Å; F427-Y431 WeakPolarHBondContact O-CB 3.5Å; F427-Y431 PolarHBondContact O-N 3.34Å |
| 428 | C | 92.8 | Very high | 91 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 45% | 0.446 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 174 | -64.8 | 0 | 0 | 0 | 0 | 111 | F425 T426 Y431 V432 | F425-C428 HydrophobicContact CD2-CB 3.95Å; F425-C428 HydrophobicContact CE2-CB 3.98Å; F425-C428 WeakPolarHBondContact O-CA 3.45Å; F425-C428 VanDerWaalsContact O-CB 3.29Å; F425-C428 WeakPolarHBondContact O-CB 3.18Å; F425-C428 PolarHBondContact O-N 2.83Å; T426-C428 VanDerWaalsContact C-N 3.28Å; T426-C428 PolarHBondContact O-N 3.37Å; C428-Y431 WeakPolarHBondContact O-CB 3.41Å; C428-Y431 PolarHBondContact O-N 3.01Å; C428-V432 WeakPolarHBondContact O-CG2 3.19Å; C428-V432 PolarHBondContact O-N 3.46Å |
| 429 | V | 92.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 177.3 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | T283 M288 I348 L352 F425 T426 V432 N433 | T283-V429 HydrophobicContact CG2-CG2 3.77Å; M288-V429 HydrophobicContact CE-CG1 3.71Å; M288-V429 HydrophobicContact SD-CB 4.46Å; M288-V429 HydrophobicContact SD-CG1 3.8Å; I348-V429 HydrophobicContact CG2-CG2 4.05Å; L352-V429 HydrophobicContact CD1-CG1 3.79Å; F425-V429 HydrophobicContact CD1-CG2 4.02Å; F425-V429 HydrophobicContact CE1-CG2 3.88Å; F425-V429 PolarHBondContact O-N 3Å; T426-V429 PolarHBondContact O-N 3.48Å; T426-V429 VanDerWaalsContact O-N 3.14Å; V429-V432 PolarHBondContact O-N 3.05Å; V429-N433 PolarHBondContact O-N 3.01Å |
| 430 | N | 89.2 | Confident | 89.2 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.5 | -70.1 | -7 | 0 | 0 | 0 | 111.3 | F356 T426 F427 V432 N433 E434 | F356-N430 WeakPolarHBondContact CZ-OD1 3.06Å; T426-N430 PolarHBondContact O-N 3.41Å; F427-N430 PolarHBondContact O-N 2.96Å; N430-V432 VanDerWaalsContact C-N 3.31Å; N430-V432 PolarHBondContact O-N 2.99Å; N430-N433 PolarHBondContact O-N 2.6Å; N430-N433 VanDerWaalsContact O-N 3.12Å; N430-E434 WeakPolarHBondContact O-CB 3.24Å; N430-E434 WeakPolarHBondContact O-CG 3.25Å; N430-E434 PolarHBondContact O-N 3.24Å |
| 431 | Y | 90.4 | Very high | 87.9 | Confident | 138 Ų | 138 | 65.7 Ų | 65.7 | 54% | 0.541 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 176 | 179.8 | -92.9 | 0 | 0 | 0 | 112.1 | F427 C428 N433 E434 K435 L436 | F427-Y431 WeakPolarHBondContact O-CB 3.5Å; F427-Y431 PolarHBondContact O-N 3.34Å; C428-Y431 WeakPolarHBondContact O-CB 3.41Å; C428-Y431 PolarHBondContact O-N 3.01Å; Y431-N433 VanDerWaalsContact C-N 3.34Å; Y431-N433 PolarHBondContact O-N 3.4Å; Y431-E434 PolarHBondContact O-N 2.99Å; Y431-K435 HydrophobicContact CD2-CG 4.09Å; Y431-K435 HydrophobicContact CE1-CB 4.46Å; Y431-K435 HydrophobicContact CE2-CB 4.3Å; Y431-K435 HydrophobicContact CE2-CG 3.88Å; Y431-K435 WeakPolarHBondContact O-CB 3.45Å; Y431-K435 PolarHBondContact O-N 3.34Å; Y431-L436 HydrophobicContact CE1-CD1 4.42Å; Y431-L436 HydrophobicContact CE1-CG 4.4Å |
| 432 | V | 90.9 | Very high | 86.2 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L352 L363 C428 V429 N430 E434 L436 | L352-V432 HydrophobicContact CD2-CG1 4.5Å; L363-V432 HydrophobicContact CD1-CG1 4.28Å; C428-V432 WeakPolarHBondContact O-CG2 3.19Å; C428-V432 PolarHBondContact O-N 3.46Å; V429-V432 PolarHBondContact O-N 3.05Å; N430-V432 VanDerWaalsContact C-N 3.31Å; N430-V432 PolarHBondContact O-N 2.99Å; V432-E434 VanDerWaalsContact C-N 3.35Å; V432-E434 PolarHBondContact O-N 2.89Å; V432-L436 HydrophobicContact CB-CD1 4.32Å; V432-L436 HydrophobicContact CG1-CB 4.39Å; V432-L436 HydrophobicContact CG1-CD1 4.37Å; V432-L436 HydrophobicContact CG2-CD1 3.93Å; V432-L436 WeakPolarHBondContact O-CB 3.43Å; V432-L436 PolarHBondContact O-N 3.22Å; V432-L436 VanDerWaalsContact O-N 3.08Å |
| 433 | N | 87.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.6 | -34.3 | 179.7 | -158.2 | 12.7 | 0 | 0 | 0 | 113.6 | L352 F356 P358 R361 T362 L363 V429 N430 Y431 | L352-N433 HydrophobicContact CD1-CB 3.77Å; F356-N433 WeakPolarHBondContact CD1-ND2 3.42Å; F356-N433 WeakPolarHBondContact CE1-ND2 3.4Å; P358-N433 WeakPolarHBondContact CD-ND2 3.3Å; P358-N433 HydrophobicContact CG-CB 4.47Å; P358-N433 VanDerWaalsContact CG-ND2 3.33Å; P358-N433 WeakPolarHBondContact CG-ND2 3.24Å; R361-N433 PolarHBondContact NH1-ND2 3.46Å; T362-N433 PolarHBondContact N-O 3.07Å; T362-N433 PolarHBondContact OG1-O 3.32Å; L363-N433 WeakPolarHBondContact CB-OD1 3.4Å; L363-N433 HydrophobicContact CD1-CB 4.4Å; V429-N433 PolarHBondContact O-N 3.01Å; N430-N433 PolarHBondContact O-N 2.6Å; N430-N433 VanDerWaalsContact O-N 3.12Å; Y431-N433 VanDerWaalsContact C-N 3.34Å; Y431-N433 PolarHBondContact O-N 3.4Å |
| 434 | E | 86.8 | Confident | 82 | Confident | 43 Ų | 43 | 80.8 Ų | 80.8 | 20% | 0.201 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -86 | -26 | -175.6 | -78 | 173.6 | -172 | 0 | 0 | 114 | P358 Y360 T362 N430 Y431 V432 | P358-E434 HydrophobicContact CB-CG 3.97Å; P358-E434 HydrophobicContact CG-CG 4.42Å; Y360-E434 WeakPolarHBondContact O-CA 3.4Å; Y360-E434 WeakPolarHBondContact O-CG 3.43Å; T362-E434 WeakPolarHBondContact CG2-O 3.15Å; N430-E434 WeakPolarHBondContact O-CB 3.24Å; N430-E434 WeakPolarHBondContact O-CG 3.25Å; N430-E434 PolarHBondContact O-N 3.24Å; Y431-E434 PolarHBondContact O-N 2.99Å; V432-E434 VanDerWaalsContact C-N 3.35Å; V432-E434 PolarHBondContact O-N 2.89Å |
| 435 | K | 86.1 | Confident | 79.6 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -129.8 | -23.2 | -167.5 | -59.7 | -64 | 178.4 | -170.8 | 0 | 115.9 | T362 Y431 | T362-K435 PolarHBondContact OG1-N 3.18Å; Y431-K435 HydrophobicContact CD2-CG 4.09Å; Y431-K435 HydrophobicContact CE1-CB 4.46Å; Y431-K435 HydrophobicContact CE2-CB 4.3Å; Y431-K435 HydrophobicContact CE2-CG 3.88Å; Y431-K435 WeakPolarHBondContact O-CB 3.45Å; Y431-K435 PolarHBondContact O-N 3.34Å |
| 436 | L | 86.2 | Confident | 77.3 | Confident | 110 Ų | 110 | 85 Ų | 85 | 58% | 0.576 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -107.1 | 2 | -170.9 | -62.4 | -180 | 0 | 0 | 0 | 113.9 | Y431 V432 | Y431-L436 HydrophobicContact CE1-CD1 4.42Å; Y431-L436 HydrophobicContact CE1-CG 4.4Å; V432-L436 HydrophobicContact CB-CD1 4.32Å; V432-L436 HydrophobicContact CG1-CB 4.39Å; V432-L436 HydrophobicContact CG1-CD1 4.37Å; V432-L436 HydrophobicContact CG2-CD1 3.93Å; V432-L436 WeakPolarHBondContact O-CB 3.43Å; V432-L436 PolarHBondContact O-N 3.22Å; V432-L436 VanDerWaalsContact O-N 3.08Å |
| 437 | G | 80 | Confident | 75.4 | Confident | 18 Ų | 18 | 87.2 Ų | 87.2 | 19% | 0.186 | 43% | 0.433 | C | S | . | . | trans | -81.8 | 156.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T362 | T362-G437 CarbonylContact O-C 3.35Å; T362-G437 VanDerWaalsContact O-CA 3.23Å; T362-G437 WeakPolarHBondContact O-CA 3.34Å; T362-G437 WeakPolarHBondContact OG1-CA 3.46Å; T362-G437 PolarHBondContact OG1-N 2.94Å | ||
| 438 | W | 82.4 | Confident | 73.6 | Confident | 188 Ų | 188 | 82.2 Ų | 82.2 | 71% | 0.712 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -90.2 | -0.5 | -180 | 43.3 | 50 | 0 | 0 | 0 | 113.7 | T362 P453 | T362-W438 PolarHBondContact O-N 3.13Å; W438-P453 VanDerWaalsContact O-CD 3.22Å; W438-P453 WeakPolarHBondContact O-CD 3.39Å |
| 439 | C | 81.1 | Confident | 72.2 | Confident | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.014 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -94.6 | 150.8 | 175.6 | -43.4 | 0 | 0 | 0 | 0 | 110.5 | T362 V450 T451 C452 | T362-C439 WeakPolarHBondContact CA-O 3.48Å; T362-C439 WeakPolarHBondContact CB-O 3.39Å; T362-C439 WeakPolarHBondContact O-CA 3.22Å; T362-C439 WeakPolarHBondContact O-CB 3.33Å; T362-C439 PolarHBondContact O-N 3.48Å; C439-V450 HydrophobicContact CB-CB 3.73Å; C439-V450 HydrophobicContact CB-CG1 4.14Å; C439-V450 HydrophobicContact CB-CG2 4.41Å; C439-T451 CarbonylContact C-O 3.58Å; C439-T451 WeakPolarHBondContact CA-O 3.42Å; C439-T451 WeakPolarHBondContact CB-O 3.41Å; C439-C452 HydrophobicContact CB-CB 3.94Å; C439-C452 WeakPolarHBondContact CB-SG 3.21Å; C439-C452 WeakPolarHBondContact SG-CB 3.32Å; C439-C452 CovalentContact SG-SG 2.03Å; C439-C452 PolarHBondContact SG-SG 3.23Å |
| 440 | H | 73.7 | Confident | 70.9 | Confident | 136 Ų | 136 | 82.7 Ų | 82.7 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 145.4 | 172.7 | -67.8 | -63.7 | 0 | 0 | 0 | 110.7 | A442 V450 T451 | H440-A442 PolarHBondContact O-N 3Å; H440-V450 WeakPolarHBondContact O-CA 3.46Å; H440-T451 PolarHBondContact N-O 3.24Å; H440-T451 PolarHBondContact O-N 3.03Å; H440-T451 PolarHBondContact O-OG1 3.4Å |
| 441 | P | 67.5 | Low | 69.8 | Low | 44 Ų | 44 | 84.9 Ų | 84.9 | 29% | 0.286 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 130.1 | 171.6 | -16.7 | 28.7 | 0 | 0 | 0 | 109.4 | Y443 | P441-Y443 PolarHBondContact O-N 2.67Å |
| 442 | A | 61.6 | Low | 68.9 | Low | 26 Ų | 26 | 81.2 Ų | 81.2 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | trans | -69.9 | 103 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | H440 I444 S449 | H440-A442 PolarHBondContact O-N 3Å; A442-I444 PolarHBondContact O-N 2.98Å; A442-S449 WeakPolarHBondContact CB-O 3.46Å; A442-S449 WeakPolarHBondContact CB-OG 3.4Å; A442-S449 PolarHBondContact N-O 3.5Å | ||
| 443 | Y | 53.4 | Low | 67.6 | Low | 224 Ų | 224 | 86.6 Ų | 86.6 | 88% | 0.878 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -4.4 | -176 | -98.7 | -91.9 | 0 | 0 | 0 | 115.4 | P441 | P441-Y443 PolarHBondContact O-N 2.67Š|
| 444 | I | 47.9 | Very low | 66.6 | Low | 164 Ų | 164 | 91 Ų | 91 | 84% | 0.841 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 2.7 | -162.1 | -57.8 | 179.6 | 0 | 0 | 0 | 113.8 | A442 | A442-I444 PolarHBondContact O-N 2.98Š|
| 445 | S | 43.1 | Very low | 65.5 | Low | 58 Ų | 58 | 93.5 Ų | 93.5 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -145.3 | 153 | 173.4 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | S447 S449 | S445-S447 PolarHBondContact O-N 3.4Å; S445-S447 WeakPolarHBondContact OG-CB 3.46Å; S445-S447 PolarHBondContact OG-N 3.23Å; S445-S447 PolarHBondContact OG-O 3.25Å; S445-S447 PolarHBondContact OG-OG 3.03Å; S445-S449 PolarHBondContact OG-OG 3.24Å |
| 446 | N | 46.8 | Very low | 64.4 | Low | 195 Ų | 195 | 91.5 Ų | 91.5 | 100% | 1.043 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -61.3 | 15.8 | 162.7 | -78.6 | -12.4 | 0 | 0 | 0 | 112.9 | ||
| 447 | S | 51.8 | Low | 63.1 | Low | 56 Ų | 56 | 90.4 Ų | 90.4 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -109.6 | 138.6 | 171.5 | 81.1 | 0 | 0 | 0 | 0 | 109.2 | S445 S449 | S445-S447 PolarHBondContact O-N 3.4Å; S445-S447 WeakPolarHBondContact OG-CB 3.46Å; S445-S447 PolarHBondContact OG-N 3.23Å; S445-S447 PolarHBondContact OG-O 3.25Å; S445-S447 PolarHBondContact OG-OG 3.03Å; S447-S449 PolarHBondContact O-N 3.07Å; S447-S449 PolarHBondContact O-OG 2.77Å; S447-S449 PolarHBondContact OG-OG 3.35Å |
| 448 | T | 54.3 | Low | 62 | Low | 30 Ų | 30 | 94.9 Ų | 94.9 | 18% | 0.184 | 51% | 0.51 | C | S | . | . | trans | -67.9 | 31.8 | 172.6 | 38.4 | 0 | 0 | 0 | 0 | 113.2 | Q357 P358 | Q357-T448 HydrophobicContact CB-CG2 4.27Å; Q357-T448 PolarHBondContact NE2-OG1 3.43Å; Q357-T448 PolarHBondContact OE1-OG1 3.18Å; P358-T448 WeakPolarHBondContact O-CG2 3.27Å | ||
| 449 | S | 62.1 | Low | 60.7 | Low | 51 Ų | 51 | 88.7 Ų | 88.7 | 36% | 0.357 | 50% | 0.497 | S | S | . | . | trans | -60.6 | 144.1 | 171.1 | 41 | 0 | 0 | 0 | 0 | 109.6 | A442 S445 S447 | A442-S449 WeakPolarHBondContact CB-O 3.46Å; A442-S449 WeakPolarHBondContact CB-OG 3.4Å; A442-S449 PolarHBondContact N-O 3.5Å; S445-S449 PolarHBondContact OG-OG 3.24Å; S447-S449 PolarHBondContact O-N 3.07Å; S447-S449 PolarHBondContact O-OG 2.77Å; S447-S449 PolarHBondContact OG-OG 3.35Å | ||
| 450 | V | 66.4 | Low | 59.2 | Low | 32 Ų | 32 | 94.9 Ų | 94.9 | 19% | 0.194 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136 | -177.5 | -84.7 | 0 | 0 | 0 | 0 | 109.6 | R361 C439 H440 | R361-V450 VanDerWaalsContact C-CG1 3.45Å; R361-V450 HydrophobicContact CB-CG1 3.84Å; R361-V450 HydrophobicContact CG-CG1 3.94Å; R361-V450 WeakPolarHBondContact O-CG1 3.05Å; C439-V450 HydrophobicContact CB-CB 3.73Å; C439-V450 HydrophobicContact CB-CG1 4.14Å; C439-V450 HydrophobicContact CB-CG2 4.41Å; H440-V450 WeakPolarHBondContact O-CA 3.46Å |
| 451 | T | 65 | Low | 58.1 | Low | 85 Ų | 85 | 91.8 Ų | 91.8 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110.4 | 169 | 43.4 | 0 | 0 | 0 | 0 | 108.3 | C439 H440 | C439-T451 CarbonylContact C-O 3.58Å; C439-T451 WeakPolarHBondContact CA-O 3.42Å; C439-T451 WeakPolarHBondContact CB-O 3.41Å; H440-T451 PolarHBondContact N-O 3.24Å; H440-T451 PolarHBondContact O-N 3.03Å; H440-T451 PolarHBondContact O-OG1 3.4Å |
| 452 | C | 71.9 | Confident | 57.3 | Low | 61 Ų | 61 | 95.8 Ų | 95.8 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | trans | -94.3 | 141.7 | 176.4 | -53.6 | 0 | 0 | 0 | 0 | 109.4 | C439 | C439-C452 HydrophobicContact CB-CB 3.94Å; C439-C452 WeakPolarHBondContact CB-SG 3.21Å; C439-C452 WeakPolarHBondContact SG-CB 3.32Å; C439-C452 CovalentContact SG-SG 2.03Å; C439-C452 PolarHBondContact SG-SG 3.23Å | ||
| 453 | P | 63.5 | Low | 56.9 | Low | 167 Ų | 167 | 102.1 Ų | 102.1 | 100% | 1.084 | 57% | 0.574 | S | S | * | * | trans | -65.1 | 0 | 177.7 | 26.4 | -33.4 | 0 | 0 | 0 | 113.7 | W438 | W438-P453 VanDerWaalsContact O-CD 3.22Å; W438-P453 WeakPolarHBondContact O-CD 3.39Å |
Retrieved 453 of 453 residues in 495.7 ms
(Link to these results)