A0A096MPD8_PAPAN Loading...

Metastasis associated 1 family member 2

AlphaFold DB (A0A2K6LZG2), UniProt , Accession A0A096MPD8, Species PAPAN (Papio anubis, Olive baboon), Gene MTA2, Length 668 aa.

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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
1M42.3Very low82.6Confident219 Ų21972 Ų72100%1.07941%0.411SS*.  0-20.50-82.2176.4-174.700114.9
2A57.6Low83.7Confident85 Ų8566 Ų6670%0.70238%0.377SS*.G310 helixtrans-74.8-25.3-175.400000116.3N4 M5A2-N4 VanDerWaalsContact C-N 3.26Å; A2-N4 PolarHBondContact O-N 2.85Å; A2-M5 PolarHBondContact O-N 3.1Å
3A66.1Low84.6Confident83 Ų8361.2 Ų61.269%0.68635%0.349SS*.G310 helixtrans-65.8-23.2-172.400000114.9
4N83.4Confident85.3Confident38 Ų3856.9 Ų56.920%0.20332%0.324CS..G310 helixtrans-103.79.8-176.3-75-14000113.2A2 Y6 Y335 I336 T338A2-N4 VanDerWaalsContact C-N 3.26Å; A2-N4 PolarHBondContact O-N 2.85Å; N4-Y6 WeakPolarHBondContact O-CD2 3.37Å; N4-Y6 WeakPolarHBondContact O-CE2 3.43Å; N4-Y335 HydrophobicContact CB-CD2 3.94Å; N4-Y335 HydrophobicContact CB-CE2 3.44Å; N4-Y335 VanDerWaalsContact CB-CE2 3.44Å; N4-Y335 WeakPolarHBondContact O-CA 3.19Å; N4-I336 WeakPolarHBondContact CB-O 3.45Å; N4-I336 PolarHBondContact O-N 3.38Å; N4-T338 PolarHBondContact ND2-OG1 3.23Å
5M90.4Very high85.7Confident50 Ų5055.1 Ų55.125%0.24631%0.312CS..EExtended strand (participates in β ladder)trans-100.2122.4178.7-170.568.567.900110.1A2 K105 Q333 Y335A2-M5 PolarHBondContact O-N 3.1Å; M5-K105 WeakPolarHBondContact O-CE 2.97Å; M5-K105 PolarHBondContact O-NZ 3.36Å; M5-Q333 HydrophobicContact SD-CB 4.24Å; M5-Q333 HydrophobicContact SD-CG 4.13Å; M5-Y335 HydrophobicContact CE-CD2 4.22Å
6Y93.7Very high85.6Confident7 Ų758.8 Ų58.83%0.02733%0.331CS..EExtended strand (participates in β ladder)trans-116.1138.3-177.1-59.3-90.2000110.6N4 V12 I102 G104 K105 Q333 V334 I336N4-Y6 WeakPolarHBondContact O-CD2 3.37Å; N4-Y6 WeakPolarHBondContact O-CE2 3.43Å; Y6-V12 HydrophobicContact CD1-CG1 3.55Å; Y6-V12 HydrophobicContact CE1-CG1 3.97Å; Y6-I102 HydrophobicContact CD1-CG2 3.68Å; Y6-I102 HydrophobicContact CD2-CG2 4.38Å; Y6-I102 HydrophobicContact CE1-CG2 3.27Å; Y6-I102 HydrophobicContact CE2-CG2 4.07Å; Y6-I102 HydrophobicContact CG-CG2 4.2Å; Y6-I102 VanDerWaalsContact CZ-CG2 3.49Å; Y6-G104 WeakPolarHBondContact OH-CA 3.34Å; Y6-G104 PolarHBondContact OH-N 3.39Å; Y6-K105 HydrophobicContact CD1-CD 4.31Å; Y6-K105 HydrophobicContact CD1-CG 3.7Å; Y6-K105 HydrophobicContact CE1-CD 4.46Å; Y6-K105 HydrophobicContact CE1-CG 3.5Å; Y6-Q333 CarbonylContact O-C 3.57Å; Y6-Q333 WeakPolarHBondContact O-CA 3.43Å; Y6-Q333 WeakPolarHBondContact O-CB 3.48Å; Y6-V334 PolarHBondContact N-O 2.75Å; Y6-V334 PolarHBondContact O-N 2.77Å; Y6-I336 HydrophobicContact CD2-CB 4.2Å; Y6-I336 HydrophobicContact CD2-CD1 3.59Å; Y6-I336 HydrophobicContact CD2-CG1 3.95Å; Y6-I336 HydrophobicContact CE2-CB 3.93Å; Y6-I336 HydrophobicContact CE2-CD1 3.86Å; Y6-I336 HydrophobicContact CE2-CG1 4.17Å; Y6-I336 HydrophobicContact CG-CD1 4.32Å
7R94.4Very high85.6Confident140 Ų14057.8 Ų57.853%0.52833%0.329SS..EExtended strand (participates in β ladder)trans-120154.5-174.5-60-178.4-179.8-121.4-1.1110.8G9 D10 K332 Q333R7-G9 PolarHBondContact O-N 3.39Å; R7-D10 PolarHBondContact N-OD2 3.09Å; R7-D10 VanDerWaalsContact O-CB 3.3Å; R7-D10 WeakPolarHBondContact O-CB 3.41Å; R7-D10 PolarHBondContact O-N 2.88Å; R7-D10 VanDerWaalsContact O-N 3.1Å; R7-K332 WeakPolarHBondContact CA-O 3.4Å; R7-Q333 HydrophobicContact CG-CB 4.02Å
8V93.6Very high85.3Confident63 Ų6356.8 Ų56.838%0.38233%0.326SS..THydrogen-bonded Turntrans-57.6132.3166.6176.30000108.9I27 E28 L30 K332V8-I27 HydrophobicContact CG2-CG2 4.31Å; V8-E28 WeakPolarHBondContact CG1-O 3.47Å; V8-L30 HydrophobicContact CG2-CD1 4.17Å; V8-L30 HydrophobicContact CG2-CG 4.1Å; V8-K332 PolarHBondContact N-O 2.85Å
9G93.9Very high85.1Confident30 Ų3057.1 Ų57.131%0.30933%0.331SS..THydrogen-bonded Turntrans98.8-20.4-173.100000114.6R7 I27R7-G9 PolarHBondContact O-N 3.39Å; G9-I27 WeakPolarHBondContact CA-O 3.48Å; G9-I27 PolarHBondContact N-O 2.92Å
10D95.7Very high85.3Confident39 Ų3958.1 Ų58.121%0.20934%0.335CS..  trans-67.8142.8-179.5-71.3-17.2000111.7R7 V12 I27 K105R7-D10 PolarHBondContact N-OD2 3.09Å; R7-D10 VanDerWaalsContact O-CB 3.3Å; R7-D10 WeakPolarHBondContact O-CB 3.41Å; R7-D10 PolarHBondContact O-N 2.88Å; R7-D10 VanDerWaalsContact O-N 3.1Å; D10-V12 HydrophobicContact CB-CG1 4.22Å; D10-I27 HydrophobicContact CB-CD1 4.48Å; D10-I27 PolarHBondContact O-N 2.95Å; D10-K105 WeakPolarHBondContact OD2-CE 3.44Å; D10-K105 IonicContact OD2-NZ 2.7Å; D10-K105 PolarHBondContact OD2-NZ 3.14Å
11Y96.9Very high85.6Confident38 Ų3855.7 Ų55.715%0.14932%0.322CS..EExtended strand (participates in β ladder)trans-89134.8164.6-62.6-92.7000110R25 R26 L45 K105 C106 V108Y11-R25 CarbonylContact C-O 3.49Å; Y11-R25 WeakPolarHBondContact CA-O 3.49Å; Y11-R26 HydrophobicContact CD1-CB 3.73Å; Y11-R26 HydrophobicContact CD1-CG 4.14Å; Y11-R26 HydrophobicContact CE1-CB 3.69Å; Y11-R26 HydrophobicContact CE1-CG 3.93Å; Y11-R26 HydrophobicContact CG-CB 4.48Å; Y11-L45 HydrophobicContact CD1-CD1 4.08Å; Y11-L45 HydrophobicContact CD1-CD2 4.31Å; Y11-L45 HydrophobicContact CE1-CD1 4.09Å; Y11-L45 HydrophobicContact CE1-CD2 4.07Å; Y11-K105 WeakPolarHBondContact O-CA 3.49Å; Y11-C106 VanDerWaalsContact C-SG 3.59Å; Y11-C106 WeakPolarHBondContact CB-O 3.33Å; Y11-C106 PolarHBondContact O-N 3.07Å; Y11-C106 VanDerWaalsContact O-O 3.09Å; Y11-V108 HydrophobicContact CD1-CB 3.64Å; Y11-V108 HydrophobicContact CD1-CG2 3.44Å; Y11-V108 VanDerWaalsContact CD1-CG2 3.44Å; Y11-V108 HydrophobicContact CD2-CB 4.06Å; Y11-V108 HydrophobicContact CD2-CG2 4.28Å; Y11-V108 HydrophobicContact CE1-CB 3.7Å; Y11-V108 HydrophobicContact CE1-CG1 4.32Å; Y11-V108 HydrophobicContact CE1-CG2 4.02Å; Y11-V108 HydrophobicContact CE2-CB 4.14Å; Y11-V108 WeakPolarHBondContact CE2-O 3.35Å; Y11-V108 HydrophobicContact CG-CB 3.82Å; Y11-V108 HydrophobicContact CG-CG2 3.58Å
12V96.1Very high88.1Confident0 Ų047.5 Ų47.50%028%0.279CS..EExtended strand (participates in β ladder)trans-142.1152.7-168.9-67.50000112.6Y6 D10 F14 R25 I27 I102 G104 K105Y6-V12 HydrophobicContact CD1-CG1 3.55Å; Y6-V12 HydrophobicContact CE1-CG1 3.97Å; D10-V12 HydrophobicContact CB-CG1 4.22Å; V12-F14 HydrophobicContact CG2-CD2 3.67Å; V12-F14 HydrophobicContact CG2-CE2 3.34Å; V12-F14 HydrophobicContact CG2-CZ 4.48Å; V12-R25 PolarHBondContact N-O 3.36Å; V12-R25 PolarHBondContact O-N 3.08Å; V12-I27 HydrophobicContact CG1-CD1 3.94Å; V12-I27 HydrophobicContact CG1-CG1 4.41Å; V12-I27 HydrophobicContact CG2-CD1 4.1Å; V12-I27 HydrophobicContact CG2-CG1 3.84Å; V12-I102 HydrophobicContact CB-CG2 3.9Å; V12-I102 HydrophobicContact CG1-CG2 4.06Å; V12-I102 HydrophobicContact CG2-CD1 4.39Å; V12-I102 HydrophobicContact CG2-CG1 4.26Å; V12-I102 HydrophobicContact CG2-CG2 4.47Å; V12-G104 CarbonylContact C-O 3.58Å; V12-G104 WeakPolarHBondContact CA-O 3.39Å; V12-G104 WeakPolarHBondContact CB-O 3.46Å; V12-K105 HydrophobicContact CG1-CG 4.37Å
13Y95.5Very high89.9Confident3 Ų345.7 Ų45.71%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-86.4117.6171-67.6-52.9000110.5Y22 L23 V24 I102 R103 G104 C106 D125 F127 K400Y13-Y22 HydrophobicContact CD1-CD2 4.36Å; Y13-Y22 HydrophobicContact CD2-CD2 4.5Å; Y13-Y22 HydrophobicContact CG-CD2 4.03Å; Y13-Y22 HydrophobicContact CG-CG 4.4Å; Y13-L23 WeakPolarHBondContact CA-O 3.31Å; Y13-V24 HydrophobicContact CD1-CG2 4.07Å; Y13-V24 HydrophobicContact CE1-CG2 3.96Å; Y13-I102 WeakPolarHBondContact O-CA 3.37Å; Y13-R103 PolarHBondContact O-N 3.44Å; Y13-G104 PolarHBondContact N-O 2.88Å; Y13-C106 HydrophobicContact CD2-CB 4.44Å; Y13-C106 HydrophobicContact CE1-CB 4.08Å; Y13-C106 HydrophobicContact CE2-CB 3.86Å; Y13-D125 HydrophobicContact CE2-CB 4.33Å; Y13-D125 PolarHBondContact OH-OD1 3.34Å; Y13-D125 VanDerWaalsContact OH-OD1 3.11Å; Y13-F127 AromaticContact CE1-CE2 3.7Å; Y13-F127 HydrophobicContact CE1-CE2 3.7Å; Y13-F127 AromaticContact CE1-CZ 3.8Å; Y13-F127 HydrophobicContact CE1-CZ 3.8Å; Y13-F127 AromaticContact CZ-CE2 3.75Å; Y13-F127 WeakPolarHBondContact OH-CE2 3.35Å; Y13-F127 WeakPolarHBondContact OH-CZ 3.43Å; Y13-K400 HydrophobicContact CE1-CB 4.37Å; Y13-K400 HydrophobicContact CE2-CD 4.24Å; Y13-K400 HydrophobicContact CE2-CG 3.94Å
14F94.3Very high91.3Very high1 Ų141.8 Ų41.80%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-98.9134.3173.4-91.2-99.4000111.5V12 Y22 L23 R25 A40 V42 L97 H101 I102V12-F14 HydrophobicContact CG2-CD2 3.67Å; V12-F14 HydrophobicContact CG2-CE2 3.34Å; V12-F14 HydrophobicContact CG2-CZ 4.48Å; F14-Y22 CarbonylContact O-C 3.24Å; F14-Y22 VanDerWaalsContact O-CA 3.26Å; F14-Y22 WeakPolarHBondContact O-CA 3.24Å; F14-L23 HydrophobicContact CB-CB 4.24Å; F14-L23 PolarHBondContact N-O 3.03Å; F14-L23 PolarHBondContact O-N 3.39Å; F14-R25 HydrophobicContact CB-CG 4.3Å; F14-R25 HydrophobicContact CD2-CB 3.66Å; F14-R25 HydrophobicContact CD2-CG 3.69Å; F14-R25 HydrophobicContact CE2-CB 3.91Å; F14-R25 HydrophobicContact CE2-CG 4.28Å; F14-R25 HydrophobicContact CG-CG 4.15Å; F14-A40 HydrophobicContact CZ-CB 4.08Å; F14-V42 HydrophobicContact CE2-CG1 3.79Å; F14-V42 HydrophobicContact CE2-CG2 4.48Å; F14-V42 HydrophobicContact CZ-CG1 3.72Å; F14-L97 HydrophobicContact CD1-CB 4.24Å; F14-L97 HydrophobicContact CD1-CD1 3.86Å; F14-L97 HydrophobicContact CE1-CB 3.8Å; F14-L97 HydrophobicContact CE1-CD1 4.16Å; F14-H101 HydrophobicContact CD1-CB 3.64Å; F14-H101 HydrophobicContact CE1-CB 4.04Å; F14-I102 HydrophobicContact CD1-CG1 4.41Å; F14-I102 HydrophobicContact CD2-CG1 4.13Å; F14-I102 HydrophobicContact CE1-CG1 3.86Å; F14-I102 HydrophobicContact CE2-CD1 4.12Å; F14-I102 HydrophobicContact CE2-CG1 3.58Å; F14-I102 HydrophobicContact CZ-CD1 3.84Å; F14-I102 HydrophobicContact CZ-CG1 3.41Å; F14-I102 VanDerWaalsContact CZ-CG1 3.41Å
15E91Very high91.9Very high30 Ų3040.7 Ų40.714%0.1422%0.218CC..  trans-102.2111.4171.2-174.6168-11300111.1Y22 H101 R103 K399E15-Y22 HydrophobicContact CB-CD1 3.94Å; E15-Y22 HydrophobicContact CB-CE1 3.96Å; E15-Y22 HydrophobicContact CG-CD1 4.37Å; E15-Y22 HydrophobicContact CG-CE1 4.19Å; E15-Y22 WeakPolarHBondContact OE1-CE1 3.44Å; E15-H101 PolarHBondContact N-O 2.99Å; E15-R103 HydrophobicContact CB-CG 3.68Å; E15-R103 IonicContact OE2-CZ 3.39Å; E15-R103 VanDerWaalsContact OE2-CZ 3.28Å; E15-R103 IonicContact OE2-NE 3.66Å; E15-R103 PolarHBondContact OE2-NE 3.39Å; E15-R103 IonicContact OE2-NH2 2.76Å; E15-R103 PolarHBondContact OE2-NH2 2.94Å; E15-K399 IonicContact OE1-NZ 2.88Å; E15-K399 PolarHBondContact OE1-NZ 3.06Å
16N85.4Confident92.2Very high115 Ų11542.6 Ų42.662%0.61522%0.223SC*.SBendtrans-90-29.5170.9-17029.1000112.2L23N16-L23 HydrophobicContact CB-CD1 4.19Å
17S84.9Confident92.4Very high42 Ų4242.2 Ų42.229%0.29422%0.221SC..  trans-152.5142.4178.7159.90000109.8S19 N20 K399S17-S19 PolarHBondContact O-N 3.48Å; S17-S19 PolarHBondContact OG-N 3Å; S17-N20 PolarHBondContact O-N 3.25Å; S17-K399 PolarHBondContact O-NZ 3.16Å
18S79.9Confident92.4Very high40 Ų4038.7 Ų38.728%0.2821%0.211SC..THydrogen-bonded Turntrans-61-30.817650.80000112.5P344 N345 K399S18-P344 WeakPolarHBondContact OG-CG 3.35Å; S18-N345 PolarHBondContact O-ND2 3.07Å; S18-K399 PolarHBondContact O-NZ 3.27Å; S18-K399 VanDerWaalsContact O-NZ 3.13Å
19S82.6Confident92.4Very high61 Ų6137.8 Ų37.843%0.42720%0.202SC..THydrogen-bonded Turntrans-88.93.2-179.2-53.20000114.5S17 W398S17-S19 PolarHBondContact O-N 3.48Å; S17-S19 PolarHBondContact OG-N 3Å; S19-W398 WeakPolarHBondContact O-CH2 3.4Å
20N88.1Confident92.4Very high77 Ų7736.4 Ų36.441%0.41219%0.188SC..SBendtrans-116.1154.7174.6-73.9-30.4000110.9S17 K399S17-N20 PolarHBondContact O-N 3.25Å; N20-K399 WeakPolarHBondContact O-CE 3.38Å; N20-K399 PolarHBondContact O-NZ 2.88Å
21P91.5Very high92.2Very high9 Ų937 Ų376%0.05819%0.191CC..PPolyproline II helixtrans-56.8155.6166.1-24.135.9000111.8W398 K399P21-W398 HydrophobicContact CG-CD2 4.35Å; P21-W398 HydrophobicContact CG-CH2 4.25Å; P21-W398 HydrophobicContact CG-CZ2 3.73Å; P21-K399 CarbonylContact C-O 3.57Å; P21-K399 WeakPolarHBondContact CA-O 3.2Å
22Y94.4Very high91.9Very high47 Ų4742.1 Ų42.118%0.18421%0.214CC..PPolyproline II helixtrans-61.5144.9172-59.7-41.5000110.6Y13 F14 E15 R47 R103 K399 K400Y13-Y22 HydrophobicContact CD1-CD2 4.36Å; Y13-Y22 HydrophobicContact CD2-CD2 4.5Å; Y13-Y22 HydrophobicContact CG-CD2 4.03Å; Y13-Y22 HydrophobicContact CG-CG 4.4Å; F14-Y22 CarbonylContact O-C 3.24Å; F14-Y22 VanDerWaalsContact O-CA 3.26Å; F14-Y22 WeakPolarHBondContact O-CA 3.24Å; E15-Y22 HydrophobicContact CB-CD1 3.94Å; E15-Y22 HydrophobicContact CB-CE1 3.96Å; E15-Y22 HydrophobicContact CG-CD1 4.37Å; E15-Y22 HydrophobicContact CG-CE1 4.19Å; E15-Y22 WeakPolarHBondContact OE1-CE1 3.44Å; Y22-R47 PolarHBondContact O-NH1 2.91Å; Y22-R47 PolarHBondContact O-NH2 3.39Å; Y22-R103 HydrophobicContact CD1-CG 4.33Å; Y22-R103 HydrophobicContact CE1-CB 4.06Å; Y22-R103 HydrophobicContact CE1-CG 3.76Å; Y22-K399 WeakPolarHBondContact CB-O 3.34Å; Y22-K399 HydrophobicContact CD2-CB 4.1Å; Y22-K399 HydrophobicContact CE2-CB 3.83Å; Y22-K399 PolarHBondContact N-O 3.1Å; Y22-K400 HydrophobicContact CD2-CG 4.27Å; Y22-K400 HydrophobicContact CE2-CG 4.45Å
23L95.1Very high91.5Very high46 Ų4644.2 Ų44.224%0.24123%0.227CC..EExtended strand (participates in β ladder)trans-88.1139.2169.7-58.1175.9000108.3Y13 F14 N16Y13-L23 WeakPolarHBondContact CA-O 3.31Å; F14-L23 HydrophobicContact CB-CB 4.24Å; F14-L23 PolarHBondContact N-O 3.03Å; F14-L23 PolarHBondContact O-N 3.39Å; N16-L23 HydrophobicContact CB-CD1 4.19Å
24V96.4Very high91.1Very high2 Ų249.3 Ų49.31%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-92.9128.1175-1770000108.4Y13 L45 L88 V108 F127Y13-V24 HydrophobicContact CD1-CG2 4.07Å; Y13-V24 HydrophobicContact CE1-CG2 3.96Å; V24-L45 HydrophobicContact CB-CB 4.33Å; V24-L45 HydrophobicContact CG1-CB 4.36Å; V24-L45 HydrophobicContact CG1-CD2 4.49Å; V24-L45 WeakPolarHBondContact O-CB 3.39Å; V24-L45 PolarHBondContact O-N 3.24Å; V24-L88 HydrophobicContact CB-CD1 3.82Å; V24-L88 HydrophobicContact CG1-CD1 3.59Å; V24-L88 HydrophobicContact CG2-CD1 4.02Å; V24-L88 HydrophobicContact CG2-CD2 4.38Å; V24-V108 HydrophobicContact CG1-CG2 3.96Å; V24-F127 HydrophobicContact CG2-CE2 4.33Å; V24-F127 HydrophobicContact CG2-CZ 4.27Å
25R96.8Very high90.8Very high14 Ų1456 Ų565%0.05331%0.305CS..EExtended strand (participates in β ladder)trans-140.3151.9-176.1-59-63.9177.8104.3-4.6110.5Y11 V12 F14 V42 V43 C44 E95Y11-R25 CarbonylContact C-O 3.49Å; Y11-R25 WeakPolarHBondContact CA-O 3.49Å; V12-R25 PolarHBondContact N-O 3.36Å; V12-R25 PolarHBondContact O-N 3.08Å; F14-R25 HydrophobicContact CB-CG 4.3Å; F14-R25 HydrophobicContact CD2-CB 3.66Å; F14-R25 HydrophobicContact CD2-CG 3.69Å; F14-R25 HydrophobicContact CE2-CB 3.91Å; F14-R25 HydrophobicContact CE2-CG 4.28Å; F14-R25 HydrophobicContact CG-CG 4.15Å; R25-V42 HydrophobicContact CB-CB 3.91Å; R25-V42 HydrophobicContact CB-CG1 4.5Å; R25-V42 HydrophobicContact CB-CG2 3.87Å; R25-V42 HydrophobicContact CG-CG2 3.91Å; R25-V43 VanDerWaalsContact CA-O 3.29Å; R25-V43 WeakPolarHBondContact CA-O 3.32Å; R25-V43 WeakPolarHBondContact CD-O 3.37Å; R25-C44 PolarHBondContact NH1-SG 3.24Å; R25-E95 IonicContact CZ-OE2 2.85Å; R25-E95 IonicContact NH1-OE1 3.69Å; R25-E95 IonicContact NH1-OE2 3.53Å; R25-E95 PolarHBondContact NH1-OE2 3.28Å; R25-E95 IonicContact NH2-OE1 3.14Å; R25-E95 PolarHBondContact NH2-OE1 2.68Å; R25-E95 IonicContact NH2-OE2 3.7Å; R25-E95 PolarHBondContact NH2-OE2 2.77Å
26R96.8Very high90.5Very high90 Ų9056.2 Ų56.234%0.3432%0.316SS..EExtended strand (participates in β ladder)trans-105.2130.2170.7-174.9-175.3174-162.3-5.2109.9Y11 E28 V42 V43 L45Y11-R26 HydrophobicContact CD1-CB 3.73Å; Y11-R26 HydrophobicContact CD1-CG 4.14Å; Y11-R26 HydrophobicContact CE1-CB 3.69Å; Y11-R26 HydrophobicContact CE1-CG 3.93Å; Y11-R26 HydrophobicContact CG-CB 4.48Å; R26-E28 WeakPolarHBondContact CD-OE1 3.41Å; R26-E28 IonicContact CZ-OE1 3.49Å; R26-E28 IonicContact NE-OE1 3.11Å; R26-E28 PolarHBondContact NE-OE1 3.28Å; R26-E28 IonicContact NH1-OE1 2.69Å; R26-E28 PolarHBondContact NH1-OE1 3.34Å; R26-E28 PolarHBondContact O-N 3.3Å; R26-V42 CarbonylContact O-C 3.47Å; R26-V42 WeakPolarHBondContact O-CA 3.25Å; R26-V42 VanDerWaalsContact O-CB 3.32Å; R26-V42 WeakPolarHBondContact O-CB 3.33Å; R26-V43 HydrophobicContact CB-CB 4.3Å; R26-V43 PolarHBondContact N-O 2.95Å; R26-V43 VanDerWaalsContact N-O 3.07Å; R26-V43 PolarHBondContact O-N 3.22Å; R26-L45 HydrophobicContact CB-CD1 4.33Å
27I96.4Very high90.7Very high0 Ų055.9 Ų55.90%031%0.314CS..EExtended strand (participates in β ladder)trans-75.4118.1177.6-56.4176.2000109.2V8 G9 D10 V12 L30 V42 I102V8-I27 HydrophobicContact CG2-CG2 4.31Å; G9-I27 WeakPolarHBondContact CA-O 3.48Å; G9-I27 PolarHBondContact N-O 2.92Å; D10-I27 HydrophobicContact CB-CD1 4.48Å; D10-I27 PolarHBondContact O-N 2.95Å; V12-I27 HydrophobicContact CG1-CD1 3.94Å; V12-I27 HydrophobicContact CG1-CG1 4.41Å; V12-I27 HydrophobicContact CG2-CD1 4.1Å; V12-I27 HydrophobicContact CG2-CG1 3.84Å; I27-L30 HydrophobicContact CG2-CD1 4.5Å; I27-L30 HydrophobicContact CG2-CD2 3.83Å; I27-L30 HydrophobicContact CG2-CG 3.86Å; I27-V42 HydrophobicContact CG1-CG1 4.35Å; I27-I102 HydrophobicContact CD1-CD1 3.97Å
28E95.3Very high91.1Very high66 Ų6655.4 Ų55.431%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-101.6-33.2177.1-71.7-68.8158.700112V8 R26 K41 V43 F94V8-E28 WeakPolarHBondContact CG1-O 3.47Å; R26-E28 WeakPolarHBondContact CD-OE1 3.41Å; R26-E28 IonicContact CZ-OE1 3.49Å; R26-E28 IonicContact NE-OE1 3.11Å; R26-E28 PolarHBondContact NE-OE1 3.28Å; R26-E28 IonicContact NH1-OE1 2.69Å; R26-E28 PolarHBondContact NH1-OE1 3.34Å; R26-E28 PolarHBondContact O-N 3.3Å; E28-K41 PolarHBondContact N-O 3.39Å; E28-V43 HydrophobicContact CG-CB 4.28Å; E28-V43 HydrophobicContact CG-CG2 3.49Å; E28-V43 VanDerWaalsContact CG-CG2 3.49Å; E28-F94 HydrophobicContact CB-CE1 4.25Å; E28-F94 HydrophobicContact CG-CD1 4.39Å; E28-F94 HydrophobicContact CG-CE1 3.86Å
29E94Very high91.8Very high43 Ų4357.1 Ų57.120%0.20131%0.313CS..EExtended strand (participates in β ladder)trans-153.3144.8178.6-170.1177.6-158.200110.1N31 K41 K330E29-N31 PolarHBondContact OE1-OD1 2.87Å; E29-K41 HydrophobicContact CB-CB 4.04Å; E29-K41 HydrophobicContact CB-CD 4.4Å; E29-K41 PolarHBondContact N-O 3.07Å; E29-K41 VanDerWaalsContact N-O 3.17Å; E29-K41 PolarHBondContact O-N 3.18Å; E29-K330 WeakPolarHBondContact OE1-CD 3.38Å; E29-K330 WeakPolarHBondContact OE1-CE 3.19Å; E29-K330 IonicContact OE1-NZ 3.36Å; E29-K330 PolarHBondContact OE1-NZ 3.35Å
30L94.2Very high92.4Very high1 Ų154.2 Ų54.21%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-115.4123171.7-64.9168.1000108.7V8 I27 V38 E39 A40 L331 V334V8-L30 HydrophobicContact CG2-CD1 4.17Å; V8-L30 HydrophobicContact CG2-CG 4.1Å; I27-L30 HydrophobicContact CG2-CD1 4.5Å; I27-L30 HydrophobicContact CG2-CD2 3.83Å; I27-L30 HydrophobicContact CG2-CG 3.86Å; L30-V38 HydrophobicContact CB-CG1 4.4Å; L30-V38 HydrophobicContact CD2-CG1 4.37Å; L30-E39 WeakPolarHBondContact CA-O 3.44Å; L30-A40 HydrophobicContact CD2-CB 3.73Å; L30-L331 HydrophobicContact CB-CB 3.89Å; L30-V334 HydrophobicContact CD1-CB 4.15Å; L30-V334 HydrophobicContact CD1-CG1 3.86Å; L30-V334 HydrophobicContact CD2-CG1 3.98Å
31N91.7Very high92.8Very high53 Ų5354.4 Ų54.428%0.28329%0.29SS..EExtended strand (participates in β ladder)trans-117.3126.4-175.3-69-50.2000110E29 V38 E39E29-N31 PolarHBondContact OE1-OD1 2.87Å; N31-V38 CarbonylContact O-C 3.35Å; N31-V38 WeakPolarHBondContact O-CA 3.49Å; N31-E39 PolarHBondContact N-O 3.44Å; N31-E39 PolarHBondContact O-N 2.89Å
32K90.4Very high93Very high144 Ų14454 Ų5463%0.62629%0.287SS*.EExtended strand (participates in β ladder)trans-89.4119.1172-161.6175.4176.6-178.70108.9L331K32-L331 HydrophobicContact CB-CD1 3.7Å; K32-L331 HydrophobicContact CB-CG 4.42Å; K32-L331 HydrophobicContact CG-CD1 4.35Å
33T87.4Confident93.1Very high44 Ų4452.1 Ų52.127%0.2728%0.281SS..  trans-70.6159.2171.962.80000110.6N35 G36 N37 E39T33-N35 PolarHBondContact O-N 3.18Å; T33-N35 VanDerWaalsContact O-N 3.11Å; T33-G36 PolarHBondContact O-N 2.94Å; T33-N37 PolarHBondContact N-O 3.44Å; T33-N37 WeakPolarHBondContact OG1-CB 3.36Å; T33-N37 PolarHBondContact OG1-N 2.89Å; T33-N37 PolarHBondContact OG1-O 3.11Å; T33-E39 HydrophobicContact CG2-CG 4.16Å
34A86.7Confident93.1Very high110 Ų11050 Ų5091%0.90927%0.27SS*.THydrogen-bonded Turntrans-55.2-29.8176.800000113G36A34-G36 PolarHBondContact O-N 3.4Å
35N87.8Confident93.1Very high141 Ų14150.2 Ų50.275%0.75427%0.271SS*.THydrogen-bonded Turntrans-78.51178.5-60.1-1.4000113.2T33 N37T33-N35 PolarHBondContact O-N 3.18Å; T33-N35 VanDerWaalsContact O-N 3.11Å; N35-N37 VanDerWaalsContact C-N 3.33Å; N35-N37 PolarHBondContact O-N 3.41Å
36G84.9Confident93Very high36 Ų3651.1 Ų51.137%0.37128%0.275SS..SBendtrans86.8-7.5-179.600000115.3T33 A34T33-G36 PolarHBondContact O-N 2.94Å; A34-G36 PolarHBondContact O-N 3.4Å
37N89.7Confident92.9Very high107 Ų10747.6 Ų47.657%0.57226%0.262SS*.  trans-71.4144.2175.7-61.7-36.2000110.8T33 N35T33-N37 PolarHBondContact N-O 3.44Å; T33-N37 WeakPolarHBondContact OG1-CB 3.36Å; T33-N37 PolarHBondContact OG1-N 2.89Å; T33-N37 PolarHBondContact OG1-O 3.11Å; N35-N37 VanDerWaalsContact C-N 3.33Å; N35-N37 PolarHBondContact O-N 3.41Å
38V93.4Very high92.6Very high32 Ų3249.1 Ų49.119%0.19427%0.268CS..EExtended strand (participates in β ladder)trans-102.7126.1177.5-175.10000110L30 N31 A99 L331 V334L30-V38 HydrophobicContact CB-CG1 4.4Å; L30-V38 HydrophobicContact CD2-CG1 4.37Å; N31-V38 CarbonylContact O-C 3.35Å; N31-V38 WeakPolarHBondContact O-CA 3.49Å; V38-A99 HydrophobicContact CB-CB 4.08Å; V38-A99 HydrophobicContact CG1-CB 3.99Å; V38-A99 VanDerWaalsContact O-CB 3.3Å; V38-A99 WeakPolarHBondContact O-CB 3.36Å; V38-A99 PolarHBondContact O-N 3.29Å; V38-L331 HydrophobicContact CG1-CD1 3.98Å; V38-L331 HydrophobicContact CG2-CD1 3.87Å; V38-V334 HydrophobicContact CB-CG2 4.17Å; V38-V334 HydrophobicContact CG1-CB 4.34Å; V38-V334 HydrophobicContact CG1-CG2 4.03Å; V38-V334 HydrophobicContact CG2-CG2 4.1Å
39E94.3Very high92.3Very high77 Ų7753 Ų5336%0.3628%0.28SS..EExtended strand (participates in β ladder)trans-105.5141.7169.6-65.7-172.118000109.9L30 N31 T33 S96L30-E39 WeakPolarHBondContact CA-O 3.44Å; N31-E39 PolarHBondContact N-O 3.44Å; N31-E39 PolarHBondContact O-N 2.89Å; T33-E39 HydrophobicContact CG2-CG 4.16Å; E39-S96 PolarHBondContact OE2-OG 3.06Å
40A95.2Very high92.1Very high0 Ų054.3 Ų54.30%029%0.288CS..EExtended strand (participates in β ladder)trans-106.4120.9173.900000108.9F14 L30 V42 S96 L97F14-A40 HydrophobicContact CZ-CB 4.08Å; L30-A40 HydrophobicContact CD2-CB 3.73Å; A40-V42 HydrophobicContact CB-CG1 3.77Å; A40-S96 WeakPolarHBondContact O-CA 3.32Å; A40-L97 PolarHBondContact N-O 2.86Å; A40-L97 PolarHBondContact O-N 3.06Å
41K95.9Very high91.9Very high80 Ų8054.9 Ų54.935%0.34829%0.291SS..EExtended strand (participates in β ladder)trans-83.9120.6165.4-175.2-177.9177.4-176.70107.6E28 E29 F94 E95E28-K41 PolarHBondContact N-O 3.39Å; E29-K41 HydrophobicContact CB-CB 4.04Å; E29-K41 HydrophobicContact CB-CD 4.4Å; E29-K41 PolarHBondContact N-O 3.07Å; E29-K41 VanDerWaalsContact N-O 3.17Å; E29-K41 PolarHBondContact O-N 3.18Å; K41-F94 HydrophobicContact CG-CD1 4.33Å; K41-E95 WeakPolarHBondContact CA-O 3.35Å
42V96.5Very high91.8Very high0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-132.2144.8-168.2-56.70000112.4F14 R25 R26 I27 A40 F94 E95F14-V42 HydrophobicContact CE2-CG1 3.79Å; F14-V42 HydrophobicContact CE2-CG2 4.48Å; F14-V42 HydrophobicContact CZ-CG1 3.72Å; R25-V42 HydrophobicContact CB-CB 3.91Å; R25-V42 HydrophobicContact CB-CG1 4.5Å; R25-V42 HydrophobicContact CB-CG2 3.87Å; R25-V42 HydrophobicContact CG-CG2 3.91Å; R26-V42 CarbonylContact O-C 3.47Å; R26-V42 WeakPolarHBondContact O-CA 3.25Å; R26-V42 VanDerWaalsContact O-CB 3.32Å; R26-V42 WeakPolarHBondContact O-CB 3.33Å; I27-V42 HydrophobicContact CG1-CG1 4.35Å; A40-V42 HydrophobicContact CB-CG1 3.77Å; V42-F94 WeakPolarHBondContact O-CA 3.46Å; V42-E95 PolarHBondContact N-O 3.31Å; V42-E95 PolarHBondContact O-N 2.66Å
43V96.5Very high91.8Very high9 Ų952.5 Ų52.56%0.05530%0.296CS..EExtended strand (participates in β ladder)trans-82.1136.4170.6164.10000110R25 R26 E28 L90 S91 F94R25-V43 VanDerWaalsContact CA-O 3.29Å; R25-V43 WeakPolarHBondContact CA-O 3.32Å; R25-V43 WeakPolarHBondContact CD-O 3.37Å; R26-V43 HydrophobicContact CB-CB 4.3Å; R26-V43 PolarHBondContact N-O 2.95Å; R26-V43 VanDerWaalsContact N-O 3.07Å; R26-V43 PolarHBondContact O-N 3.22Å; E28-V43 HydrophobicContact CG-CB 4.28Å; E28-V43 HydrophobicContact CG-CG2 3.49Å; E28-V43 VanDerWaalsContact CG-CG2 3.49Å; V43-L90 HydrophobicContact CG1-CD1 3.84Å; V43-S91 WeakPolarHBondContact CG1-O 3.36Å; V43-F94 HydrophobicContact CG2-CD1 3.73Å; V43-F94 HydrophobicContact CG2-CE1 3.43Å; V43-F94 VanDerWaalsContact CG2-CE1 3.43Å; V43-F94 HydrophobicContact CG2-CG 4.45Å; V43-F94 HydrophobicContact CG2-CZ 3.87Å
44C95.4Very high91.9Very high1 Ų154.2 Ų54.21%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-81.4127.5-179.6-57.40000112.2R25 F46 S91 Q93R25-C44 PolarHBondContact NH1-SG 3.24Å; C44-F46 HydrophobicContact CB-CD2 4.17Å; C44-F46 HydrophobicContact CB-CE2 3.48Å; C44-F46 VanDerWaalsContact CB-CE2 3.48Å; C44-F46 HydrophobicContact CB-CZ 4Å; C44-S91 VanDerWaalsContact O-CB 3.26Å; C44-S91 WeakPolarHBondContact O-CB 3.19Å; C44-S91 PolarHBondContact O-N 2.92Å; C44-Q93 HydrophobicContact CB-CB 4.48Å; C44-Q93 PolarHBondContact N-O 3.15Å
45L96Very high92.1Very high7 Ų749.7 Ų49.74%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-109.7128.3163.5-66.889000108.8Y11 V24 R26 L88 F89 L90 V108Y11-L45 HydrophobicContact CD1-CD1 4.08Å; Y11-L45 HydrophobicContact CD1-CD2 4.31Å; Y11-L45 HydrophobicContact CE1-CD1 4.09Å; Y11-L45 HydrophobicContact CE1-CD2 4.07Å; V24-L45 HydrophobicContact CB-CB 4.33Å; V24-L45 HydrophobicContact CG1-CB 4.36Å; V24-L45 HydrophobicContact CG1-CD2 4.49Å; V24-L45 WeakPolarHBondContact O-CB 3.39Å; V24-L45 PolarHBondContact O-N 3.24Å; R26-L45 HydrophobicContact CB-CD1 4.33Å; L45-L88 HydrophobicContact CB-CB 4.31Å; L45-L88 HydrophobicContact CB-CD1 4.16Å; L45-L88 HydrophobicContact CD2-CB 4.18Å; L45-L88 HydrophobicContact CD2-CD1 3.86Å; L45-F89 WeakPolarHBondContact CA-O 3.31Å; L45-L90 HydrophobicContact CG-CD1 4.37Å; L45-V108 HydrophobicContact CD2-CB 4.35Å; L45-V108 HydrophobicContact CD2-CG1 3.72Å; L45-V108 HydrophobicContact CD2-CG2 4.23Å
46F95Very high92.3Very high33 Ų3344.5 Ų44.515%0.14524%0.243CC..EExtended strand (participates in β ladder)trans-101.7146.6-174.1-71-95.7000110.9C44 D50 L88 F89 S91 F133 P135C44-F46 HydrophobicContact CB-CD2 4.17Å; C44-F46 HydrophobicContact CB-CE2 3.48Å; C44-F46 VanDerWaalsContact CB-CE2 3.48Å; C44-F46 HydrophobicContact CB-CZ 4Å; F46-D50 HydrophobicContact CB-CB 4.29Å; F46-D50 HydrophobicContact CD1-CB 3.75Å; F46-L88 CarbonylContact O-C 3.58Å; F46-L88 WeakPolarHBondContact O-CA 3.43Å; F46-F89 HydrophobicContact CB-CB 4.34Å; F46-F89 PolarHBondContact N-O 2.72Å; F46-F89 WeakPolarHBondContact O-CD2 3.38Å; F46-F89 PolarHBondContact O-N 3.44Å; F46-S91 VanDerWaalsContact CE2-CB 3.44Å; F46-F133 HydrophobicContact CB-CD1 4.13Å; F46-F133 HydrophobicContact CD1-CD1 4.26Å; F46-F133 HydrophobicContact CD1-CE1 4.14Å; F46-F133 AromaticContact CD2-CD1 3.75Å; F46-F133 HydrophobicContact CD2-CD1 3.75Å; F46-F133 HydrophobicContact CD2-CE1 4.34Å; F46-F133 HydrophobicContact CE1-CE1 4.34Å; F46-F133 HydrophobicContact CE2-CD1 4.19Å; F46-F133 AromaticContact CG-CD1 3.78Å; F46-F133 HydrophobicContact CG-CD1 3.78Å; F46-F133 HydrophobicContact CG-CE1 4.13Å; F46-P135 HydrophobicContact CE2-CG 4.47Å; F46-P135 HydrophobicContact CZ-CB 4.21Å; F46-P135 HydrophobicContact CZ-CG 4.42Å
47R93.9Very high92.6Very high16 Ų1646.2 Ų46.26%0.0625%0.249CC..  trans-93.8167.6171.5-66.2-169.5179.8116.1-3.5110.9Y22 R49 D50 L88 K400 Y401Y22-R47 PolarHBondContact O-NH1 2.91Å; Y22-R47 PolarHBondContact O-NH2 3.39Å; R47-R49 HydrophobicContact CB-CG 4.04Å; R47-R49 PolarHBondContact O-N 3.1Å; R47-R49 VanDerWaalsContact O-N 3.15Å; R47-D50 WeakPolarHBondContact CB-OD2 3.44Å; R47-D50 PolarHBondContact N-OD2 2.98Å; R47-D50 WeakPolarHBondContact O-CB 3.44Å; R47-D50 PolarHBondContact O-N 2.79Å; R47-L88 HydrophobicContact CG-CD2 3.75Å; R47-K400 PolarHBondContact NH2-O 3.16Å; R47-Y401 PolarHBondContact NE-O 3.36Å
48R90.6Very high92.6Very high32 Ų3245.2 Ų45.212%0.12124%0.243CC..G310 helixtrans-50.7-35.8171-72.9179.5163.3-112.95114.3D50 I51 N56 D60 K84 E87 F89R48-D50 PolarHBondContact O-N 2.88Å; R48-I51 VanDerWaalsContact O-CG1 3.29Å; R48-I51 WeakPolarHBondContact O-CG1 3.41Å; R48-I51 PolarHBondContact O-N 3.31Å; R48-N56 WeakPolarHBondContact CA-OD1 3.33Å; R48-N56 VanDerWaalsContact CB-OD1 3.29Å; R48-N56 WeakPolarHBondContact CB-OD1 3.46Å; R48-N56 WeakPolarHBondContact CG-OD1 3.4Å; R48-N56 PolarHBondContact O-ND2 3.22Å; R48-N56 PolarHBondContact O-OD1 2.94Å; R48-D60 IonicContact CZ-OD1 2.99Å; R48-D60 VanDerWaalsContact CZ-OD1 3.28Å; R48-D60 IonicContact NH1-OD1 2.94Å; R48-D60 PolarHBondContact NH1-OD1 3.36Å; R48-D60 IonicContact NH1-OD2 3.44Å; R48-D60 IonicContact NH2-OD1 2.68Å; R48-D60 PolarHBondContact NH2-OD1 2.91Å; R48-K84 WeakPolarHBondContact CD-O 3.46Å; R48-E87 IonicContact CZ-OE2 3.71Å; R48-E87 IonicContact NE-OE2 3.15Å; R48-E87 PolarHBondContact NE-OE2 3.29Å; R48-E87 IonicContact NH2-OE2 2.71Å; R48-E87 PolarHBondContact NH2-OE2 2.97Å; R48-F89 HydrophobicContact CG-CE2 3.81Å; R48-F89 HydrophobicContact CG-CZ 4.09Å
49R87.9Confident92.4Very high147 Ų14743.7 Ų43.756%0.55523%0.234SC*.G310 helixtrans-70.7-17.617767.3177-66.5166.10.8114.5R47R47-R49 HydrophobicContact CB-CG 4.04Å; R47-R49 PolarHBondContact O-N 3.1Å; R47-R49 VanDerWaalsContact O-N 3.15Å
50D89.6Confident92.3Very high70 Ų7042 Ų4237%0.37423%0.227SC..G310 helixtrans-93.7-11.6-176.6-52.2-43.9000112F46 R47 R48F46-D50 HydrophobicContact CB-CB 4.29Å; F46-D50 HydrophobicContact CD1-CB 3.75Å; R47-D50 WeakPolarHBondContact CB-OD2 3.44Å; R47-D50 PolarHBondContact N-OD2 2.98Å; R47-D50 WeakPolarHBondContact O-CB 3.44Å; R47-D50 PolarHBondContact O-N 2.79Å; R48-D50 PolarHBondContact O-N 2.88Å
51I90.5Very high92Very high14 Ų1444.8 Ų44.87%0.07225%0.247CC..SBendtrans-107.4160.317762.6166.6000111.3R48 L55 N56 F89 F133 L140R48-I51 VanDerWaalsContact O-CG1 3.29Å; R48-I51 WeakPolarHBondContact O-CG1 3.41Å; R48-I51 PolarHBondContact O-N 3.31Å; I51-L55 HydrophobicContact CB-CB 4.33Å; I51-L55 HydrophobicContact CB-CD1 4.32Å; I51-L55 HydrophobicContact CD1-CB 4Å; I51-L55 HydrophobicContact CG1-CB 4.49Å; I51-N56 WeakPolarHBondContact CD1-OD1 3.39Å; I51-N56 WeakPolarHBondContact CG1-OD1 3.45Å; I51-F89 HydrophobicContact CD1-CD2 3.82Å; I51-F89 HydrophobicContact CD1-CE1 4.47Å; I51-F89 HydrophobicContact CD1-CE2 3.31Å; I51-F89 HydrophobicContact CD1-CZ 3.69Å; I51-F89 HydrophobicContact CG1-CD2 4.44Å; I51-F89 HydrophobicContact CG1-CE2 4.11Å; I51-F89 HydrophobicContact CG2-CD2 4.32Å; I51-F133 HydrophobicContact CB-CE2 4.49Å; I51-F133 HydrophobicContact CG2-CD1 3.88Å; I51-F133 HydrophobicContact CG2-CD2 3.87Å; I51-F133 HydrophobicContact CG2-CE1 3.75Å; I51-F133 HydrophobicContact CG2-CE2 3.77Å; I51-F133 HydrophobicContact CG2-CG 3.95Å; I51-F133 HydrophobicContact CG2-CZ 3.7Å; I51-L140 HydrophobicContact CD1-CD1 4.02Å
52S90.8Very high91.6Very high50 Ų5043 Ų4335%0.3524%0.242SC..  trans-69.7157.5-177.7630000112.6S54 L55 N56S52-S54 PolarHBondContact O-N 3.35Å; S52-S54 PolarHBondContact OG-OG 3.29Å; S52-L55 PolarHBondContact O-N 3.12Å; S52-L55 WeakPolarHBondContact OG-CG 3.47Å; S52-N56 PolarHBondContact O-N 2.95Å; S52-N56 PolarHBondContact O-ND2 3.24Å
53S89.2Confident91.1Very high96 Ų9644.5 Ų44.567%0.67125%0.254SS*.Hα-helixtrans-55.9-37.7176.753.20000113.3L55 N56 S57S53-L55 VanDerWaalsContact C-N 3.31Å; S53-L55 PolarHBondContact O-N 3.46Å; S53-N56 WeakPolarHBondContact O-CB 3.2Å; S53-N56 PolarHBondContact O-N 2.92Å; S53-S57 PolarHBondContact O-N 2.82Å; S53-S57 PolarHBondContact O-OG 3.05Å
54S89.1Confident90.7Very high80 Ų8052.6 Ų52.656%0.55928%0.283SS*.Hα-helixtrans-61.1-38.2175.258.60000113.1S52 L58S52-S54 PolarHBondContact O-N 3.35Å; S52-S54 PolarHBondContact OG-OG 3.29Å; S54-L58 PolarHBondContact O-N 3.43Å
55L91.1Very high90.1Very high15 Ų1557.7 Ų57.78%0.07931%0.307CS..Hα-helixtrans-76.5-34.7178-68.2177.9000111.1I51 S52 S53 S57 L58 A59 F133 L140I51-L55 HydrophobicContact CB-CB 4.33Å; I51-L55 HydrophobicContact CB-CD1 4.32Å; I51-L55 HydrophobicContact CD1-CB 4Å; I51-L55 HydrophobicContact CG1-CB 4.49Å; S52-L55 PolarHBondContact O-N 3.12Å; S52-L55 WeakPolarHBondContact OG-CG 3.47Å; S53-L55 VanDerWaalsContact C-N 3.31Å; S53-L55 PolarHBondContact O-N 3.46Å; L55-S57 VanDerWaalsContact C-N 3.29Å; L55-S57 PolarHBondContact O-N 3.5Å; L55-L58 WeakPolarHBondContact O-CB 3.44Å; L55-L58 PolarHBondContact O-N 3Å; L55-L58 VanDerWaalsContact O-N 3.12Å; L55-A59 PolarHBondContact O-N 2.83Å; L55-F133 HydrophobicContact CD1-CD2 4.21Å; L55-F133 HydrophobicContact CD1-CE2 3.64Å; L55-L140 HydrophobicContact CB-CD1 3.74Å; L55-L140 HydrophobicContact CB-CG 4.29Å; L55-L140 HydrophobicContact CD2-CB 4.38Å; L55-L140 HydrophobicContact CD2-CD1 4.25Å; L55-L140 HydrophobicContact CD2-CG 4.12Å; L55-L140 HydrophobicContact CG-CD1 4.47Å; L55-L140 WeakPolarHBondContact O-CD1 3.24Å
56N92.2Very high89.6Confident32 Ų3258.7 Ų58.717%0.17131%0.311CS..Hα-helixtrans-59.6-39.9170.6-79.6-45000112.1R48 I51 S52 S53 L58 A59 D60R48-N56 WeakPolarHBondContact CA-OD1 3.33Å; R48-N56 VanDerWaalsContact CB-OD1 3.29Å; R48-N56 WeakPolarHBondContact CB-OD1 3.46Å; R48-N56 WeakPolarHBondContact CG-OD1 3.4Å; R48-N56 PolarHBondContact O-ND2 3.22Å; R48-N56 PolarHBondContact O-OD1 2.94Å; I51-N56 WeakPolarHBondContact CD1-OD1 3.39Å; I51-N56 WeakPolarHBondContact CG1-OD1 3.45Å; S52-N56 PolarHBondContact O-N 2.95Å; S52-N56 PolarHBondContact O-ND2 3.24Å; S53-N56 WeakPolarHBondContact O-CB 3.2Å; S53-N56 PolarHBondContact O-N 2.92Å; N56-L58 VanDerWaalsContact C-N 3.3Å; N56-L58 PolarHBondContact O-N 3.37Å; N56-A59 PolarHBondContact O-N 3.25Å; N56-D60 WeakPolarHBondContact O-CB 3.34Å; N56-D60 PolarHBondContact O-N 3.08Å
57S91.1Very high89.1Confident72 Ų7259.1 Ų59.150%0.50331%0.314SS..Hα-helixtrans-64-35.9174.2-56.20000112.6S53 L55 D60 S61S53-S57 PolarHBondContact O-N 2.82Å; S53-S57 PolarHBondContact O-OG 3.05Å; L55-S57 VanDerWaalsContact C-N 3.29Å; L55-S57 PolarHBondContact O-N 3.5Å; S57-D60 PolarHBondContact O-N 3.34Å; S57-S61 PolarHBondContact O-N 3.23Å; S57-S61 PolarHBondContact O-OG 3.49Å
58L89.3Confident88.6Confident86 Ų8666.1 Ų66.145%0.4535%0.347SS..Hα-helixtrans-68.9-43.4176.2-177.761.4000111.7S54 L55 N56 D60 S61 N62 L140S54-L58 PolarHBondContact O-N 3.43Å; L55-L58 WeakPolarHBondContact O-CB 3.44Å; L55-L58 PolarHBondContact O-N 3Å; L55-L58 VanDerWaalsContact O-N 3.12Å; N56-L58 VanDerWaalsContact C-N 3.3Å; N56-L58 PolarHBondContact O-N 3.37Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 3.33Å; L58-S61 PolarHBondContact O-N 3.46Å; L58-N62 PolarHBondContact O-N 2.7Å; L58-L140 HydrophobicContact CD2-CB 4.19Å
59A90.3Very high88.2Confident0 Ų072.4 Ų72.40%038%0.378CS..Hα-helixtrans-60.7-40.5173.400000111.5L55 N56 S61 N62 A63 F89 L131 L140L55-A59 PolarHBondContact O-N 2.83Å; N56-A59 PolarHBondContact O-N 3.25Å; A59-S61 PolarHBondContact O-N 3.41Å; A59-N62 PolarHBondContact O-N 3.18Å; A59-A63 WeakPolarHBondContact O-CB 3.41Å; A59-A63 PolarHBondContact O-N 2.76Å; A59-F89 HydrophobicContact CB-CE1 3.91Å; A59-F89 HydrophobicContact CB-CZ 3.78Å; A59-L131 HydrophobicContact CB-CD1 4.07Å; A59-L140 HydrophobicContact CB-CD1 4.25Å
60D91.2Very high87.7Confident41 Ų4167 Ų6722%0.21936%0.362CS..Hα-helixtrans-63.4-38.1174.3-78.3-25.9000112.8R48 N56 S57 L58 R64 K84R48-D60 IonicContact CZ-OD1 2.99Å; R48-D60 VanDerWaalsContact CZ-OD1 3.28Å; R48-D60 IonicContact NH1-OD1 2.94Å; R48-D60 PolarHBondContact NH1-OD1 3.36Å; R48-D60 IonicContact NH1-OD2 3.44Å; R48-D60 IonicContact NH2-OD1 2.68Å; R48-D60 PolarHBondContact NH2-OD1 2.91Å; N56-D60 WeakPolarHBondContact O-CB 3.34Å; N56-D60 PolarHBondContact O-N 3.08Å; S57-D60 PolarHBondContact O-N 3.34Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 3.33Å; D60-R64 WeakPolarHBondContact O-CG 3.42Å; D60-R64 PolarHBondContact O-N 3.4Å; D60-K84 WeakPolarHBondContact OD1-CE 3.4Å; D60-K84 IonicContact OD1-NZ 3.39Å; D60-K84 PolarHBondContact OD1-NZ 3.14Å; D60-K84 VanDerWaalsContact OD1-NZ 3.14Å; D60-K84 IonicContact OD2-NZ 2.71Å
61S89Confident87.3Confident60 Ų6072.5 Ų72.542%0.4238%0.383SS..Hα-helixtrans-65-47.1174-660000111.6S57 L58 A59 A63 R64 E65S57-S61 PolarHBondContact O-N 3.23Å; S57-S61 PolarHBondContact O-OG 3.49Å; L58-S61 PolarHBondContact O-N 3.46Å; A59-S61 PolarHBondContact O-N 3.41Å; S61-A63 VanDerWaalsContact C-N 3.35Å; S61-A63 PolarHBondContact O-N 2.52Å; S61-R64 WeakPolarHBondContact O-CB 3.35Å; S61-R64 PolarHBondContact O-N 3.09Å; S61-R64 VanDerWaalsContact O-N 3.15Å; S61-E65 WeakPolarHBondContact O-CG 3.41Å; S61-E65 PolarHBondContact O-N 2.89Å
62N87.6Confident86.9Confident43 Ų4373.3 Ų73.323%0.2339%0.387CS..Hα-helixtrans-64.2-38.9179.9-177.3-108.4000112.3L58 A59 R64 E65 F66 L131L58-N62 PolarHBondContact O-N 2.7Å; A59-N62 PolarHBondContact O-N 3.18Å; N62-R64 VanDerWaalsContact C-N 3.29Å; N62-R64 PolarHBondContact O-N 3.42Å; N62-E65 PolarHBondContact O-N 3.24Å; N62-F66 WeakPolarHBondContact O-CB 3.31Å; N62-F66 PolarHBondContact O-N 3.38Å; N62-L131 HydrophobicContact CB-CD1 4.4Å
63A87.7Confident86.6Confident31 Ų3174.3 Ų74.326%0.25639%0.392SS..Hα-helixtrans-62.5-36.2174.600000112.4A59 S61 E67A59-A63 WeakPolarHBondContact O-CB 3.41Å; A59-A63 PolarHBondContact O-N 2.76Å; S61-A63 VanDerWaalsContact C-N 3.35Å; S61-A63 PolarHBondContact O-N 2.52Å; A63-E67 WeakPolarHBondContact O-CG 3.33Å; A63-E67 PolarHBondContact O-N 3.23Å
64R86.3Confident86Confident178 Ų17873.8 Ų73.867%0.67240%0.402SS*.Hα-helixtrans-70.4-42.3175.8-72.3173.7-176.8-169.10.7112.4D60 S61 N62 F66 E67 E68D60-R64 WeakPolarHBondContact O-CG 3.42Å; D60-R64 PolarHBondContact O-N 3.4Å; S61-R64 WeakPolarHBondContact O-CB 3.35Å; S61-R64 PolarHBondContact O-N 3.09Å; S61-R64 VanDerWaalsContact O-N 3.15Å; N62-R64 VanDerWaalsContact C-N 3.29Å; N62-R64 PolarHBondContact O-N 3.42Å; R64-F66 VanDerWaalsContact C-N 3.3Å; R64-F66 PolarHBondContact O-N 3.19Å; R64-E67 PolarHBondContact O-N 3.37Å; R64-E68 PolarHBondContact O-N 3Å
65E84.6Confident85.8Confident109 Ų10971.1 Ų71.151%0.50938%0.382SS..Hα-helixtrans-57.7-46.1174.2-72.3169.5175.800110.2S61 N62 E67 E68 E69S61-E65 WeakPolarHBondContact O-CG 3.41Å; S61-E65 PolarHBondContact O-N 2.89Å; N62-E65 PolarHBondContact O-N 3.24Å; E65-E67 PolarHBondContact O-N 2.94Å; E65-E68 PolarHBondContact O-N 2.84Å; E65-E69 WeakPolarHBondContact O-CB 3.34Å; E65-E69 WeakPolarHBondContact O-CG 3.34Å; E65-E69 PolarHBondContact O-N 3.22Å
66F84.5Confident85.6Confident28 Ų2873 Ų7312%0.12340%0.397CS..Hα-helixtrans-61.4-44.5175.4179.3-90.9000113.4N62 R64 E68 S70 Q72 L111 N112 L117N62-F66 WeakPolarHBondContact O-CB 3.31Å; N62-F66 PolarHBondContact O-N 3.38Å; R64-F66 VanDerWaalsContact C-N 3.3Å; R64-F66 PolarHBondContact O-N 3.19Å; F66-E68 VanDerWaalsContact C-N 3.28Å; F66-E68 PolarHBondContact O-N 3.06Å; F66-S70 WeakPolarHBondContact O-CB 3.24Å; F66-S70 PolarHBondContact O-N 3.45Å; F66-S70 PolarHBondContact O-OG 3.1Å; F66-Q72 HydrophobicContact CE1-CG 4.24Å; F66-L111 HydrophobicContact CD1-CD2 4.07Å; F66-L111 HydrophobicContact CD2-CD2 4.27Å; F66-L111 HydrophobicContact CE1-CD1 4.37Å; F66-L111 HydrophobicContact CE1-CD2 3.83Å; F66-L111 HydrophobicContact CE1-CG 4.25Å; F66-L111 HydrophobicContact CE2-CD2 4Å; F66-L111 HydrophobicContact CE2-CG 4.09Å; F66-L111 HydrophobicContact CG-CD2 4.3Å; F66-L111 HydrophobicContact CZ-CD1 4.12Å; F66-L111 HydrophobicContact CZ-CD2 3.79Å; F66-L111 HydrophobicContact CZ-CG 3.79Å; F66-N112 WeakPolarHBondContact CZ-O 3.33Å; F66-L117 HydrophobicContact CD1-CD1 4.49Å; F66-L117 HydrophobicContact CE1-CD1 4.47Å; F66-L117 HydrophobicContact CE1-CG 4.33Å
67E85.1Confident85.2Confident41 Ų4179.9 Ų79.919%0.19243%0.427CS..Hα-helixtrans-59.5-39176.9-78.7179.1-170.100111.7A63 R64 E65 K71 Q72 R80 L117A63-E67 WeakPolarHBondContact O-CG 3.33Å; A63-E67 PolarHBondContact O-N 3.23Å; R64-E67 PolarHBondContact O-N 3.37Å; E65-E67 PolarHBondContact O-N 2.94Å; E67-K71 PolarHBondContact O-N 3.49Å; E67-Q72 HydrophobicContact CG-CG 4.43Å; E67-Q72 PolarHBondContact O-N 2.94Å; E67-R80 IonicContact OE1-NE 3.03Å; E67-R80 PolarHBondContact OE1-NE 3.49Å; E67-R80 IonicContact OE1-NH2 3.94Å; E67-R80 IonicContact OE2-CZ 3.28Å; E67-R80 IonicContact OE2-NE 2.68Å; E67-R80 IonicContact OE2-NH2 2.99Å; E67-R80 PolarHBondContact OE2-NH2 3.16Å; E67-L117 HydrophobicContact CG-CD1 4.08Å
68E83.4Confident84.9Confident164 Ų16481.6 Ų81.677%0.76643%0.427SS*.Hα-helixtrans-74.4-48.5-179.8-171.8173.2177.800112.4R64 E65 F66R64-E68 PolarHBondContact O-N 3Å; E65-E68 PolarHBondContact O-N 2.84Å; F66-E68 VanDerWaalsContact C-N 3.28Å; F66-E68 PolarHBondContact O-N 3.06Å
69E81.9Confident84.8Confident163 Ų16381.2 Ų81.276%0.76242%0.423SS*.Hα-helixtrans-66.7-41.1-178.9-72.4-178.616800112.2E65 K71E65-E69 WeakPolarHBondContact O-CB 3.34Å; E65-E69 WeakPolarHBondContact O-CG 3.34Å; E65-E69 PolarHBondContact O-N 3.22Å; E69-K71 VanDerWaalsContact C-N 3.3Å; E69-K71 PolarHBondContact O-N 3.12Å
70S77.6Confident84.7Confident33 Ų3386.4 Ų86.423%0.23144%0.443CS..THydrogen-bonded Turntrans-86.61.7-175.2-46.80000113.5F66 Q72F66-S70 WeakPolarHBondContact O-CB 3.24Å; F66-S70 PolarHBondContact O-N 3.45Å; F66-S70 PolarHBondContact O-OG 3.1Å; S70-Q72 VanDerWaalsContact C-N 3.33Å; S70-Q72 PolarHBondContact O-N 3.18Å
71K81.2Confident84.5Confident187 Ų18785.9 Ų85.981%0.81344%0.439SS*.THydrogen-bonded Turntrans49.748.8-177.9-58.9179.7-178.3175.90112.9E67 E69E67-K71 PolarHBondContact O-N 3.49Å; E69-K71 VanDerWaalsContact C-N 3.3Å; E69-K71 PolarHBondContact O-N 3.12Å
72Q81.5Confident84.5Confident31 Ų3184.8 Ų84.815%0.14543%0.427CS..PPolyproline II helixtrans-60.4146.8-177.1-71.8-72.1-43.700112.1F66 E67 S70 D115 L117F66-Q72 HydrophobicContact CE1-CG 4.24Å; E67-Q72 HydrophobicContact CG-CG 4.43Å; E67-Q72 PolarHBondContact O-N 2.94Å; S70-Q72 VanDerWaalsContact C-N 3.33Å; S70-Q72 PolarHBondContact O-N 3.18Å; Q72-D115 PolarHBondContact NE2-O 3.43Å; Q72-L117 HydrophobicContact CG-CD1 4.44Å; Q72-L117 VanDerWaalsContact OE1-N 3.08Å
73P83.9Confident84.6Confident71 Ų7183.2 Ų83.246%0.46142%0.419SS..PPolyproline II helixtrans-62.9152.4173.527-33.3000111.1V75 I116P73-V75 WeakPolarHBondContact O-CG2 3.47Å; P73-V75 PolarHBondContact O-N 3.46Å; P73-I116 HydrophobicContact CG-CG2 3.92Å
74G78.4Confident84.8Confident85 Ų8585.2 Ų85.288%0.87642%0.422SS*.PPolyproline II helixtrans-60.7118.4-179.100000112.5
75V83.6Confident85Confident24 Ų2478.1 Ų78.115%0.14540%0.396CS..PPolyproline II helixtrans-101.6132.2178.9-174.70000110.1P73 Q79 R80 L83P73-V75 WeakPolarHBondContact O-CG2 3.47Å; P73-V75 PolarHBondContact O-N 3.46Å; V75-Q79 HydrophobicContact CG1-CB 3.29Å; V75-Q79 HydrophobicContact CG1-CG 4.43Å; V75-R80 HydrophobicContact CG1-CB 4.39Å; V75-L83 HydrophobicContact CG1-CD1 4Å
76S86.4Confident85.4Confident55 Ų5573.4 Ų73.439%0.38537%0.374SS..PPolyproline II helixtrans-63.9156.8175.865.20000112.1Q78 Q79 R80S76-Q78 PolarHBondContact O-N 3.1Å; S76-Q79 VanDerWaalsContact N-OE1 3.08Å; S76-Q79 PolarHBondContact O-N 3.27Å; S76-Q79 VanDerWaalsContact O-N 3.11Å; S76-Q79 WeakPolarHBondContact OG-CB 3.48Å; S76-Q79 VanDerWaalsContact OG-CD 3.29Å; S76-Q79 VanDerWaalsContact OG-CG 3.23Å; S76-Q79 WeakPolarHBondContact OG-CG 3.2Å; S76-Q79 PolarHBondContact OG-N 3.49Å; S76-Q79 PolarHBondContact OG-OE1 2.91Å; S76-R80 PolarHBondContact O-N 3.17Å
77E85.1Confident85.8Confident175 Ų17572.5 Ų72.582%0.81837%0.37SS*.Hα-helixtrans-57.7-37.6178.7-171.7176.3-176.600112.2R80 H81E77-R80 PolarHBondContact O-N 2.95Å; E77-H81 PolarHBondContact O-N 2.96Å
78Q85.1Confident86.3Confident108 Ų10870.5 Ų70.551%0.50536%0.361SS..Hα-helixtrans-65.9-43.3176.2-173179.87.600112.3S76 H81 Q82S76-Q78 PolarHBondContact O-N 3.1Å; Q78-H81 PolarHBondContact O-N 3.19Å; Q78-Q82 WeakPolarHBondContact O-CG 3.39Å; Q78-Q82 PolarHBondContact O-N 3.15Å; Q78-Q82 VanDerWaalsContact O-N 3.08Å
79Q87Confident86.9Confident78 Ų7862.7 Ų62.736%0.36432%0.324SS..Hα-helixtrans-67.5-39.7176.5-75167.4-43.400111.2V75 S76 H81 Q82 L83 L121V75-Q79 HydrophobicContact CG1-CB 3.29Å; V75-Q79 HydrophobicContact CG1-CG 4.43Å; S76-Q79 VanDerWaalsContact N-OE1 3.08Å; S76-Q79 PolarHBondContact O-N 3.27Å; S76-Q79 VanDerWaalsContact O-N 3.11Å; S76-Q79 WeakPolarHBondContact OG-CB 3.48Å; S76-Q79 VanDerWaalsContact OG-CD 3.29Å; S76-Q79 VanDerWaalsContact OG-CG 3.23Å; S76-Q79 WeakPolarHBondContact OG-CG 3.2Å; S76-Q79 PolarHBondContact OG-N 3.49Å; S76-Q79 PolarHBondContact OG-OE1 2.91Å; Q79-H81 VanDerWaalsContact C-N 3.33Å; Q79-H81 PolarHBondContact O-N 3.26Å; Q79-Q82 PolarHBondContact O-N 3.01Å; Q79-Q82 VanDerWaalsContact O-N 3.08Å; Q79-L83 WeakPolarHBondContact O-CG 3.38Å; Q79-L83 PolarHBondContact O-N 3.43Å; Q79-L121 HydrophobicContact CB-CD1 3.69Å; Q79-L121 HydrophobicContact CG-CD1 3.79Å
80R87.1Confident87.5Confident109 Ų10956.5 Ų56.541%0.41130%0.296SS..Hα-helixtrans-61.8-41.1175.3-171.9179.1-85.5138.6-10.2111.4E67 V75 S76 E77 Q82 L83 K84E67-R80 IonicContact OE1-NE 3.03Å; E67-R80 PolarHBondContact OE1-NE 3.49Å; E67-R80 IonicContact OE1-NH2 3.94Å; E67-R80 IonicContact OE2-CZ 3.28Å; E67-R80 IonicContact OE2-NE 2.68Å; E67-R80 IonicContact OE2-NH2 2.99Å; E67-R80 PolarHBondContact OE2-NH2 3.16Å; V75-R80 HydrophobicContact CG1-CB 4.39Å; S76-R80 PolarHBondContact O-N 3.17Å; E77-R80 PolarHBondContact O-N 2.95Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.9Å; R80-L83 PolarHBondContact O-N 3.4Å; R80-K84 WeakPolarHBondContact O-CG 3.43Å; R80-K84 PolarHBondContact O-N 3.36Å
81H87.9Confident88.3Confident31 Ų3155 Ų5514%0.14429%0.286CS..Hα-helixtrans-58.6-43.4171.517673.7000111.9E77 Q78 Q79 K84 H85 L404E77-H81 PolarHBondContact O-N 2.96Å; Q78-H81 PolarHBondContact O-N 3.19Å; Q79-H81 VanDerWaalsContact C-N 3.33Å; Q79-H81 PolarHBondContact O-N 3.26Å; H81-K84 WeakPolarHBondContact O-CB 3.49Å; H81-K84 PolarHBondContact O-N 3.26Å; H81-H85 AromaticContact CD2-NE2 3.48Å; H81-H85 PolarHBondContact CD2-NE2 2.69Å; H81-H85 AromaticContact CE1-CE1 3.71Å; H81-H85 AromaticContact CE1-NE2 3.42Å; H81-H85 PolarHBondContact CE1-NE2 3.35Å; H81-H85 AromaticContact CG-NE2 3.97Å; H81-H85 AromaticContact ND1-NE2 3.93Å; H81-H85 AromaticContact NE2-CE1 3.83Å; H81-H85 AromaticContact NE2-NE2 3.09Å; H81-H85 PolarHBondContact NE2-NE2 2.94Å; H81-H85 PolarHBondContact O-CD2 2.91Å; H81-H85 PolarHBondContact O-NE2 3.44Å; H81-L404 PolarHBondContact NE2-O 2.94Å
82Q88.4Confident88.6Confident36 Ų3655.9 Ų55.917%0.16828%0.284CS..Hα-helixtrans-69.9-36179.1-69178.723.300113.3Q78 Q79 R80 K84 H85 R86 L121 K405Q78-Q82 WeakPolarHBondContact O-CG 3.39Å; Q78-Q82 PolarHBondContact O-N 3.15Å; Q78-Q82 VanDerWaalsContact O-N 3.08Å; Q79-Q82 PolarHBondContact O-N 3.01Å; Q79-Q82 VanDerWaalsContact O-N 3.08Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.9Å; Q82-K84 VanDerWaalsContact C-N 3.29Å; Q82-K84 PolarHBondContact O-N 2.85Å; Q82-H85 WeakPolarHBondContact O-CB 3.37Å; Q82-H85 PolarHBondContact O-N 3.35Å; Q82-R86 PolarHBondContact O-N 3.42Å; Q82-L121 HydrophobicContact CB-CD2 3.76Å; Q82-K405 PolarHBondContact NE2-O 3.22Å
83L90.6Very high89Confident10 Ų1057.8 Ų57.85%0.05229%0.293CS..Hα-helixtrans-61.4-36.6175.3-74.9169.8000112.2V75 Q79 R80 H85 R86 E87 L117 L121 F128V75-L83 HydrophobicContact CG1-CD1 4Å; Q79-L83 WeakPolarHBondContact O-CG 3.38Å; Q79-L83 PolarHBondContact O-N 3.43Å; R80-L83 PolarHBondContact O-N 3.4Å; L83-H85 PolarHBondContact O-N 3.49Å; L83-H85 VanDerWaalsContact O-N 3.15Å; L83-R86 CarbonylContact O-C 3.55Å; L83-R86 WeakPolarHBondContact O-CA 3.37Å; L83-R86 WeakPolarHBondContact O-CB 3.32Å; L83-R86 PolarHBondContact O-N 3.23Å; L83-E87 PolarHBondContact O-N 3.08Å; L83-L117 HydrophobicContact CD1-CB 3.92Å; L83-L117 HydrophobicContact CD2-CB 4.29Å; L83-L117 VanDerWaalsContact CD2-O 3.23Å; L83-L117 WeakPolarHBondContact CD2-O 3.49Å; L83-L121 HydrophobicContact CD2-CD1 4.23Å; L83-L121 HydrophobicContact CD2-CD2 3.94Å; L83-L121 HydrophobicContact CD2-CG 3.77Å; L83-L121 HydrophobicContact CG-CD1 4.05Å; L83-L121 HydrophobicContact CG-CD2 4.18Å; L83-L121 HydrophobicContact CG-CG 4.11Å; L83-F128 HydrophobicContact CD2-CE1 4.34Å
84K90.4Very high89.5Confident73 Ų7359.4 Ų59.432%0.31729%0.293SS..Hα-helixtrans-58.2-27.3172.7-69.6-174.4178.7-157.60113.1R48 D60 R80 H81 Q82R48-K84 WeakPolarHBondContact CD-O 3.46Å; D60-K84 WeakPolarHBondContact OD1-CE 3.4Å; D60-K84 IonicContact OD1-NZ 3.39Å; D60-K84 PolarHBondContact OD1-NZ 3.14Å; D60-K84 VanDerWaalsContact OD1-NZ 3.14Å; D60-K84 IonicContact OD2-NZ 2.71Å; R80-K84 WeakPolarHBondContact O-CG 3.43Å; R80-K84 PolarHBondContact O-N 3.36Å; H81-K84 WeakPolarHBondContact O-CB 3.49Å; H81-K84 PolarHBondContact O-N 3.26Å; Q82-K84 VanDerWaalsContact C-N 3.29Å; Q82-K84 PolarHBondContact O-N 2.85Å
85H91.3Very high90.2Very high29 Ų2958.1 Ų58.113%0.13426%0.264CS..Hα-helixtrans-83.9-17.4175-49.6-47.7000113.3H81 Q82 L83 L404H81-H85 AromaticContact CD2-NE2 3.48Å; H81-H85 PolarHBondContact CD2-NE2 2.69Å; H81-H85 AromaticContact CE1-CE1 3.71Å; H81-H85 AromaticContact CE1-NE2 3.42Å; H81-H85 PolarHBondContact CE1-NE2 3.35Å; H81-H85 AromaticContact CG-NE2 3.97Å; H81-H85 AromaticContact ND1-NE2 3.93Å; H81-H85 AromaticContact NE2-CE1 3.83Å; H81-H85 AromaticContact NE2-NE2 3.09Å; H81-H85 PolarHBondContact NE2-NE2 2.94Å; H81-H85 PolarHBondContact O-CD2 2.91Å; H81-H85 PolarHBondContact O-NE2 3.44Å; Q82-H85 WeakPolarHBondContact O-CB 3.37Å; Q82-H85 PolarHBondContact O-N 3.35Å; L83-H85 PolarHBondContact O-N 3.49Å; L83-H85 VanDerWaalsContact O-N 3.15Å; H85-L404 PolarHBondContact NE2-O 3.22Å
86R92.7Very high90.7Very high11 Ų1160 Ų604%0.04228%0.278CS..Hα-helixtrans-88-17.2174.2-55.5-49.9-167.595.68.5112.6Q82 L83 Y120 L121 K123 C126 F127 F128 Y401Q82-R86 PolarHBondContact O-N 3.42Å; L83-R86 CarbonylContact O-C 3.55Å; L83-R86 WeakPolarHBondContact O-CA 3.37Å; L83-R86 WeakPolarHBondContact O-CB 3.32Å; L83-R86 PolarHBondContact O-N 3.23Å; R86-Y120 PolarHBondContact NH1-O 3.16Å; R86-L121 HydrophobicContact CG-CD2 4Å; R86-K123 PolarHBondContact NH1-O 3.25Å; R86-K123 PolarHBondContact NH2-O 3.03Å; R86-C126 WeakPolarHBondContact CD-O 3.02Å; R86-C126 PolarHBondContact NH1-O 2.75Å; R86-F127 CarbonylContact O-C 3.59Å; R86-F127 WeakPolarHBondContact O-CA 3.47Å; R86-F127 WeakPolarHBondContact O-CB 3.43Å; R86-F127 WeakPolarHBondContact O-CD1 3.4Å; R86-F128 HydrophobicContact CB-CD1 4.25Å; R86-F128 HydrophobicContact CB-CE1 4.04Å; R86-F128 PolarHBondContact O-N 2.86Å; R86-Y401 VanDerWaalsContact CD-CE1 3.41Å; R86-Y401 VanDerWaalsContact NE-CE1 3.28Å
87E94Very high91.1Very high8 Ų859 Ų594%0.03727%0.268CS..BIsolated β-bridgetrans-76.6128.8174.6-170.5-175-171.800111.3R48 L83 F89 F128R48-E87 IonicContact CZ-OE2 3.71Å; R48-E87 IonicContact NE-OE2 3.15Å; R48-E87 PolarHBondContact NE-OE2 3.29Å; R48-E87 IonicContact NH2-OE2 2.71Å; R48-E87 PolarHBondContact NH2-OE2 2.97Å; L83-E87 PolarHBondContact O-N 3.08Å; E87-F89 HydrophobicContact CG-CE1 4.48Å; E87-F89 HydrophobicContact CG-CZ 4.43Å; E87-F128 WeakPolarHBondContact CA-O 3.46Å; E87-F128 HydrophobicContact CB-CE1 4.49Å; E87-F128 HydrophobicContact CB-CE2 4.03Å; E87-F128 HydrophobicContact CB-CZ 3.89Å; E87-F128 HydrophobicContact CG-CE2 3.94Å; E87-F128 HydrophobicContact CG-CZ 4.29Å
88L95.7Very high91.5Very high0 Ų053.1 Ų53.10%025%0.245CC..  trans-122.6159.4173.3-64.4175.9000110V24 L45 F46 R47 V108 F127 F128 Y129V24-L88 HydrophobicContact CB-CD1 3.82Å; V24-L88 HydrophobicContact CG1-CD1 3.59Å; V24-L88 HydrophobicContact CG2-CD1 4.02Å; V24-L88 HydrophobicContact CG2-CD2 4.38Å; L45-L88 HydrophobicContact CB-CB 4.31Å; L45-L88 HydrophobicContact CB-CD1 4.16Å; L45-L88 HydrophobicContact CD2-CB 4.18Å; L45-L88 HydrophobicContact CD2-CD1 3.86Å; F46-L88 CarbonylContact O-C 3.58Å; F46-L88 WeakPolarHBondContact O-CA 3.43Å; R47-L88 HydrophobicContact CG-CD2 3.75Å; L88-V108 HydrophobicContact CD1-CG1 4.22Å; L88-V108 HydrophobicContact CD1-CG2 4.08Å; L88-F127 HydrophobicContact CD1-CB 3.62Å; L88-F127 HydrophobicContact CD1-CD1 3.83Å; L88-F127 HydrophobicContact CD1-CD2 4.31Å; L88-F127 HydrophobicContact CD1-CG 3.68Å; L88-F127 HydrophobicContact CD2-CD1 4.3Å; L88-F127 HydrophobicContact CG-CB 4.07Å; L88-F127 HydrophobicContact CG-CD1 3.89Å; L88-F127 HydrophobicContact CG-CG 4.17Å; L88-F128 PolarHBondContact N-O 3.45Å; L88-Y129 WeakPolarHBondContact O-CA 3.34Å; L88-Y129 WeakPolarHBondContact O-CB 3.16Å
89F95.6Very high91.9Very high0 Ų048.1 Ų48.10%022%0.222CC..EExtended strand (participates in β ladder)trans-113.2117.4174.1-54.8-70.5000109.7L45 F46 R48 I51 A59 E87 L131 F133 L140L45-F89 WeakPolarHBondContact CA-O 3.31Å; F46-F89 HydrophobicContact CB-CB 4.34Å; F46-F89 PolarHBondContact N-O 2.72Å; F46-F89 WeakPolarHBondContact O-CD2 3.38Å; F46-F89 PolarHBondContact O-N 3.44Å; R48-F89 HydrophobicContact CG-CE2 3.81Å; R48-F89 HydrophobicContact CG-CZ 4.09Å; I51-F89 HydrophobicContact CD1-CD2 3.82Å; I51-F89 HydrophobicContact CD1-CE1 4.47Å; I51-F89 HydrophobicContact CD1-CE2 3.31Å; I51-F89 HydrophobicContact CD1-CZ 3.69Å; I51-F89 HydrophobicContact CG1-CD2 4.44Å; I51-F89 HydrophobicContact CG1-CE2 4.11Å; I51-F89 HydrophobicContact CG2-CD2 4.32Å; A59-F89 HydrophobicContact CB-CE1 3.91Å; A59-F89 HydrophobicContact CB-CZ 3.78Å; E87-F89 HydrophobicContact CG-CE1 4.48Å; E87-F89 HydrophobicContact CG-CZ 4.43Å; F89-L131 HydrophobicContact CD1-CB 3.94Å; F89-L131 HydrophobicContact CE1-CB 4.26Å; F89-L131 HydrophobicContact CE1-CD1 4.12Å; F89-F133 HydrophobicContact CB-CB 3.7Å; F89-L140 HydrophobicContact CB-CD2 4.39Å; F89-L140 HydrophobicContact CD1-CD2 3.66Å; F89-L140 HydrophobicContact CE1-CD1 4.39Å; F89-L140 HydrophobicContact CE1-CD2 4.17Å; F89-L140 HydrophobicContact CG-CD2 4.05Å
90L94.4Very high92.1Very high32 Ų3248.7 Ų48.717%0.16823%0.231CC..EExtended strand (participates in β ladder)trans-68.7134.3177.7179.964.4000109.3V43 L45 Y129 L131 V132 F133V43-L90 HydrophobicContact CG1-CD1 3.84Å; L45-L90 HydrophobicContact CG-CD1 4.37Å; L90-Y129 HydrophobicContact CB-CD2 3.66Å; L90-Y129 HydrophobicContact CB-CE2 3.87Å; L90-Y129 HydrophobicContact CB-CG 4.15Å; L90-Y129 HydrophobicContact CD2-CD2 4.32Å; L90-Y129 HydrophobicContact CD2-CE2 3.63Å; L90-Y129 HydrophobicContact CG-CE2 4.37Å; L90-L131 PolarHBondContact N-O 3.14Å; L90-V132 CarbonylContact O-C 3.49Å; L90-V132 VanDerWaalsContact O-CA 3.28Å; L90-V132 WeakPolarHBondContact O-CA 3.49Å; L90-V132 WeakPolarHBondContact O-CG1 3.43Å; L90-F133 PolarHBondContact O-N 3.26Å
91S93.7Very high92.4Very high3 Ų346.1 Ų46.12%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-118.3155.8173-169.50000111.7V43 C44 F46 Q93 F133 P135V43-S91 WeakPolarHBondContact CG1-O 3.36Å; C44-S91 VanDerWaalsContact O-CB 3.26Å; C44-S91 WeakPolarHBondContact O-CB 3.19Å; C44-S91 PolarHBondContact O-N 2.92Å; F46-S91 VanDerWaalsContact CE2-CB 3.44Å; S91-Q93 PolarHBondContact OG-N 2.87Å; S91-F133 WeakPolarHBondContact CA-O 3.35Å; S91-F133 WeakPolarHBondContact CB-O 3.23Å; S91-F133 PolarHBondContact OG-O 2.66Å; S91-F133 VanDerWaalsContact OG-O 3.05Å; S91-P135 WeakPolarHBondContact OG-CD 3.42Å
92R87.1Confident92.7Very high204 Ų20444.8 Ų44.877%0.7722%0.218SC*.EExtended strand (participates in β ladder)trans-87.78.1169.5-60.4-176.1-178.4179.40.7112.7F94R92-F94 WeakPolarHBondContact O-CD2 3.28Å; R92-F94 WeakPolarHBondContact O-CE2 3.43Å
93Q91.1Very high92.8Very high71 Ų7146 Ų4633%0.33222%0.221SC..EExtended strand (participates in β ladder)trans-80.1134.4176.1-174.3177.6-15.200111.1C44 S91 E95 P135C44-Q93 HydrophobicContact CB-CB 4.48Å; C44-Q93 PolarHBondContact N-O 3.15Å; S91-Q93 PolarHBondContact OG-N 2.87Å; Q93-E95 PolarHBondContact NE2-OE1 2.96Å; Q93-P135 HydrophobicContact CB-CG 4.01Å
94F93.3Very high92.9Very high105 Ų10546.3 Ų46.346%0.46123%0.226SC..EExtended strand (participates in β ladder)trans-109.7145.3174.6-63-100000110.5E28 K41 V42 V43 R92E28-F94 HydrophobicContact CB-CE1 4.25Å; E28-F94 HydrophobicContact CG-CD1 4.39Å; E28-F94 HydrophobicContact CG-CE1 3.86Å; K41-F94 HydrophobicContact CG-CD1 4.33Å; V42-F94 WeakPolarHBondContact O-CA 3.46Å; V43-F94 HydrophobicContact CG2-CD1 3.73Å; V43-F94 HydrophobicContact CG2-CE1 3.43Å; V43-F94 VanDerWaalsContact CG2-CE1 3.43Å; V43-F94 HydrophobicContact CG2-CG 4.45Å; V43-F94 HydrophobicContact CG2-CZ 3.87Å; R92-F94 WeakPolarHBondContact O-CD2 3.28Å; R92-F94 WeakPolarHBondContact O-CE2 3.43Å
95E94.3Very high93.1Very high59 Ų5946.4 Ų46.428%0.27623%0.226SC..EExtended strand (participates in β ladder)trans-133.5146.1170.4-68.9176.4-166.400109.7R25 K41 V42 Q93R25-E95 IonicContact CZ-OE2 2.85Å; R25-E95 IonicContact NH1-OE1 3.69Å; R25-E95 IonicContact NH1-OE2 3.53Å; R25-E95 PolarHBondContact NH1-OE2 3.28Å; R25-E95 IonicContact NH2-OE1 3.14Å; R25-E95 PolarHBondContact NH2-OE1 2.68Å; R25-E95 IonicContact NH2-OE2 3.7Å; R25-E95 PolarHBondContact NH2-OE2 2.77Å; K41-E95 WeakPolarHBondContact CA-O 3.35Å; V42-E95 PolarHBondContact N-O 3.31Å; V42-E95 PolarHBondContact O-N 2.66Å; Q93-E95 PolarHBondContact NE2-OE1 2.96Å
96S94.1Very high93.2Very high62 Ų6245.8 Ų45.843%0.43423%0.225SC..EExtended strand (participates in β ladder)trans-102.5122169.5-162.80000108.7E39 A40E39-S96 PolarHBondContact OE2-OG 3.06Å; A40-S96 WeakPolarHBondContact O-CA 3.32Å
97L93.9Very high93.3Very high35 Ų3547.9 Ų47.918%0.18324%0.242CC..EExtended strand (participates in β ladder)trans-133.2150.7179.9-65.5174.2000110.1F14 A40 A99F14-L97 HydrophobicContact CD1-CB 4.24Å; F14-L97 HydrophobicContact CD1-CD1 3.86Å; F14-L97 HydrophobicContact CE1-CB 3.8Å; F14-L97 HydrophobicContact CE1-CD1 4.16Å; A40-L97 PolarHBondContact N-O 2.86Å; A40-L97 PolarHBondContact O-N 3.06Å; L97-A99 PolarHBondContact O-N 3.39Å
98P94Very high93.4Very high51 Ų5147.9 Ų47.933%0.33124%0.242SC..EExtended strand (participates in β ladder)trans-55.3133173.6-2534.4000111.3T100 H101P98-T100 PolarHBondContact O-N 2.7Å; P98-T100 VanDerWaalsContact O-N 3.12Å; P98-H101 WeakPolarHBondContact O-CB 3.24Å; P98-H101 PolarHBondContact O-N 3.36Å; P98-H101 VanDerWaalsContact O-N 3.07Å
99A93.2Very high93.3Very high3 Ų350.6 Ų50.63%0.02526%0.259CS..G310 helixtrans-59.4-28.4179.700000111.4V38 L97 H101 I102 V334 I336V38-A99 HydrophobicContact CB-CB 4.08Å; V38-A99 HydrophobicContact CG1-CB 3.99Å; V38-A99 VanDerWaalsContact O-CB 3.3Å; V38-A99 WeakPolarHBondContact O-CB 3.36Å; V38-A99 PolarHBondContact O-N 3.29Å; L97-A99 PolarHBondContact O-N 3.39Å; A99-H101 PolarHBondContact O-N 2.69Å; A99-I102 WeakPolarHBondContact O-CB 3.21Å; A99-I102 WeakPolarHBondContact O-CG1 3.26Å; A99-I102 PolarHBondContact O-N 2.69Å; A99-V334 HydrophobicContact CB-CG1 4.44Å; A99-I336 HydrophobicContact CB-CD1 4.22Å; A99-I336 WeakPolarHBondContact O-CD1 3.46Å
100T91.6Very high93.1Very high90 Ų9053.6 Ų53.655%0.55227%0.274SS*.G310 helixtrans-58.6-15.3176.7570000114.9P98 I102 R103P98-T100 PolarHBondContact O-N 2.7Å; P98-T100 VanDerWaalsContact O-N 3.12Å; T100-I102 VanDerWaalsContact C-N 3.28Å; T100-R103 PolarHBondContact O-NH1 2.79Å
101H92.6Very high92.8Very high55 Ų5552.6 Ų52.626%0.25527%0.269SS..G310 helixtrans-77.1-11.8174.1-69.2-179.7000113.4F14 E15 P98 A99F14-H101 HydrophobicContact CD1-CB 3.64Å; F14-H101 HydrophobicContact CE1-CB 4.04Å; E15-H101 PolarHBondContact N-O 2.99Å; P98-H101 WeakPolarHBondContact O-CB 3.24Å; P98-H101 PolarHBondContact O-N 3.36Å; P98-H101 VanDerWaalsContact O-N 3.07Å; A99-H101 PolarHBondContact O-N 2.69Å
102I93.9Very high92.4Very high3 Ų356.1 Ų56.12%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-72.4130.3177.7-60.6166.2000109.6Y6 V12 Y13 F14 I27 A99 T100 I336Y6-I102 HydrophobicContact CD1-CG2 3.68Å; Y6-I102 HydrophobicContact CD2-CG2 4.38Å; Y6-I102 HydrophobicContact CE1-CG2 3.27Å; Y6-I102 HydrophobicContact CE2-CG2 4.07Å; Y6-I102 HydrophobicContact CG-CG2 4.2Å; Y6-I102 VanDerWaalsContact CZ-CG2 3.49Å; V12-I102 HydrophobicContact CB-CG2 3.9Å; V12-I102 HydrophobicContact CG1-CG2 4.06Å; V12-I102 HydrophobicContact CG2-CD1 4.39Å; V12-I102 HydrophobicContact CG2-CG1 4.26Å; V12-I102 HydrophobicContact CG2-CG2 4.47Å; Y13-I102 WeakPolarHBondContact O-CA 3.37Å; F14-I102 HydrophobicContact CD1-CG1 4.41Å; F14-I102 HydrophobicContact CD2-CG1 4.13Å; F14-I102 HydrophobicContact CE1-CG1 3.86Å; F14-I102 HydrophobicContact CE2-CD1 4.12Å; F14-I102 HydrophobicContact CE2-CG1 3.58Å; F14-I102 HydrophobicContact CZ-CD1 3.84Å; F14-I102 HydrophobicContact CZ-CG1 3.41Å; F14-I102 VanDerWaalsContact CZ-CG1 3.41Å; I27-I102 HydrophobicContact CD1-CD1 3.97Å; A99-I102 WeakPolarHBondContact O-CB 3.21Å; A99-I102 WeakPolarHBondContact O-CG1 3.26Å; A99-I102 PolarHBondContact O-N 2.69Å; T100-I102 VanDerWaalsContact C-N 3.28Å; I102-I336 HydrophobicContact CB-CD1 3.68Å; I102-I336 HydrophobicContact CD1-CD1 3.74Å; I102-I336 HydrophobicContact CG1-CD1 4.17Å; I102-I336 HydrophobicContact CG2-CD1 4.28Å
103R91.6Very high91.9Very high63 Ų6352.6 Ų52.624%0.23828%0.28CS..EExtended strand (participates in β ladder)trans-114.7-16.5-177.7-61.1-54.3-171.5-1470.8114.3Y13 E15 Y22 T100 Y339Y13-R103 PolarHBondContact O-N 3.44Å; E15-R103 HydrophobicContact CB-CG 3.68Å; E15-R103 IonicContact OE2-CZ 3.39Å; E15-R103 VanDerWaalsContact OE2-CZ 3.28Å; E15-R103 IonicContact OE2-NE 3.66Å; E15-R103 PolarHBondContact OE2-NE 3.39Å; E15-R103 IonicContact OE2-NH2 2.76Å; E15-R103 PolarHBondContact OE2-NH2 2.94Å; Y22-R103 HydrophobicContact CD1-CG 4.33Å; Y22-R103 HydrophobicContact CE1-CB 4.06Å; Y22-R103 HydrophobicContact CE1-CG 3.76Å; T100-R103 PolarHBondContact O-NH1 2.79Å; R103-Y339 VanDerWaalsContact NH1-CG 3.28Å
104G92.5Very high91.4Very high15 Ų1555.3 Ų55.316%0.15530%0.302CS..EExtended strand (participates in β ladder)trans178.3169.3179.800000112.1Y6 V12 Y13Y6-G104 WeakPolarHBondContact OH-CA 3.34Å; Y6-G104 PolarHBondContact OH-N 3.39Å; V12-G104 CarbonylContact C-O 3.58Å; V12-G104 WeakPolarHBondContact CA-O 3.39Å; V12-G104 WeakPolarHBondContact CB-O 3.46Å; Y13-G104 PolarHBondContact N-O 2.88Å
105K93.8Very high91Very high75 Ų7551.8 Ų51.833%0.32629%0.288SS..EExtended strand (participates in β ladder)trans-94.1155.6173-62.8-166.3-175.2-167.70110.8M5 Y6 D10 Y11 V12M5-K105 WeakPolarHBondContact O-CE 2.97Å; M5-K105 PolarHBondContact O-NZ 3.36Å; Y6-K105 HydrophobicContact CD1-CD 4.31Å; Y6-K105 HydrophobicContact CD1-CG 3.7Å; Y6-K105 HydrophobicContact CE1-CD 4.46Å; Y6-K105 HydrophobicContact CE1-CG 3.5Å; D10-K105 WeakPolarHBondContact OD2-CE 3.44Å; D10-K105 IonicContact OD2-NZ 2.7Å; D10-K105 PolarHBondContact OD2-NZ 3.14Å; Y11-K105 WeakPolarHBondContact O-CA 3.49Å; V12-K105 HydrophobicContact CG1-CG 4.37Å
106C94.9Very high90.6Very high16 Ų1651.9 Ų51.911%0.10829%0.29CS..EExtended strand (participates in β ladder)trans-141.1168.1169.457.90000109.4Y11 Y13 D125 F127Y11-C106 VanDerWaalsContact C-SG 3.59Å; Y11-C106 WeakPolarHBondContact CB-O 3.33Å; Y11-C106 PolarHBondContact O-N 3.07Å; Y11-C106 VanDerWaalsContact O-O 3.09Å; Y13-C106 HydrophobicContact CD2-CB 4.44Å; Y13-C106 HydrophobicContact CE1-CB 4.08Å; Y13-C106 HydrophobicContact CE2-CB 3.86Å; C106-D125 CarbonylContact C-O 3.59Å; C106-D125 WeakPolarHBondContact CA-O 3.42Å; C106-D125 HydrophobicContact CB-CB 4.18Å; C106-D125 VanDerWaalsContact CB-O 3.3Å; C106-D125 WeakPolarHBondContact CB-O 3.41Å; C106-F127 HydrophobicContact CB-CD2 4.19Å; C106-F127 HydrophobicContact CB-CE2 3.93Å
107S95.1Very high90.3Very high56 Ų5649.4 Ų49.439%0.39227%0.271SS..EExtended strand (participates in β ladder)trans-111.1129.8174.5-1790000108.5D125 C126 F127S107-D125 PolarHBondContact N-O 3.02Å; S107-C126 CarbonylContact O-C 3.48Å; S107-C126 WeakPolarHBondContact O-CA 3.49Å; S107-F127 PolarHBondContact O-N 3.27Å
108V95.3Very high89.9Confident7 Ų749.3 Ų49.34%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-130.1125.7174-168.80000107.8Y11 V24 L45 L88 F127 Y129Y11-V108 HydrophobicContact CD1-CB 3.64Å; Y11-V108 HydrophobicContact CD1-CG2 3.44Å; Y11-V108 VanDerWaalsContact CD1-CG2 3.44Å; Y11-V108 HydrophobicContact CD2-CB 4.06Å; Y11-V108 HydrophobicContact CD2-CG2 4.28Å; Y11-V108 HydrophobicContact CE1-CB 3.7Å; Y11-V108 HydrophobicContact CE1-CG1 4.32Å; Y11-V108 HydrophobicContact CE1-CG2 4.02Å; Y11-V108 HydrophobicContact CE2-CB 4.14Å; Y11-V108 WeakPolarHBondContact CE2-O 3.35Å; Y11-V108 HydrophobicContact CG-CB 3.82Å; Y11-V108 HydrophobicContact CG-CG2 3.58Å; V24-V108 HydrophobicContact CG1-CG2 3.96Å; L45-V108 HydrophobicContact CD2-CB 4.35Å; L45-V108 HydrophobicContact CD2-CG1 3.72Å; L45-V108 HydrophobicContact CD2-CG2 4.23Å; L88-V108 HydrophobicContact CD1-CG1 4.22Å; L88-V108 HydrophobicContact CD1-CG2 4.08Å; V108-F127 WeakPolarHBondContact CA-O 3.33Å; V108-F127 HydrophobicContact CB-CB 4.47Å; V108-F127 HydrophobicContact CG1-CB 4.17Å; V108-F127 HydrophobicContact CG2-CB 4.09Å; V108-F127 HydrophobicContact CG2-CD2 4.34Å; V108-Y129 HydrophobicContact CG1-CD1 3.93Å
109T92.9Very high89.7Confident57 Ų5751.7 Ų51.735%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-121.7153.4179.348.50000111Y120 F127 F128 Y129T109-Y120 WeakPolarHBondContact OG1-CE1 3.36Å; T109-Y120 PolarHBondContact OG1-OH 3.21Å; T109-F127 PolarHBondContact N-O 3.01Å; T109-F127 VanDerWaalsContact N-O 3.17Å; T109-F128 CarbonylContact O-C 2.96Å; T109-F128 WeakPolarHBondContact O-CA 3.46Å; T109-Y129 WeakPolarHBondContact O-CD1 3.46Å; T109-Y129 PolarHBondContact O-N 3.31Å
110L91.1Very high89.5Confident63 Ų6352.7 Ų52.733%0.3328%0.283SS..EExtended strand (participates in β ladder)trans-69.1132.3166.8178.268.9000107.7N112 Y129 D143L110-N112 PolarHBondContact O-N 3.29Å; L110-Y129 WeakPolarHBondContact CA-O 3.36Å; L110-Y129 HydrophobicContact CB-CE1 4.14Å; L110-Y129 HydrophobicContact CB-CE2 4.49Å; L110-Y129 HydrophobicContact CD1-CD2 4.02Å; L110-Y129 HydrophobicContact CD1-CE2 3.51Å; L110-D143 HydrophobicContact CD1-CB 4.45Å
111L89.1Confident89.4Confident11 Ų1149.9 Ų49.96%0.05827%0.265CS..  trans-71.6112.4175-176.168.8000109.2F66 D115 L117 Y120 F128 Y129F66-L111 HydrophobicContact CD1-CD2 4.07Å; F66-L111 HydrophobicContact CD2-CD2 4.27Å; F66-L111 HydrophobicContact CE1-CD1 4.37Å; F66-L111 HydrophobicContact CE1-CD2 3.83Å; F66-L111 HydrophobicContact CE1-CG 4.25Å; F66-L111 HydrophobicContact CE2-CD2 4Å; F66-L111 HydrophobicContact CE2-CG 4.09Å; F66-L111 HydrophobicContact CG-CD2 4.3Å; F66-L111 HydrophobicContact CZ-CD1 4.12Å; F66-L111 HydrophobicContact CZ-CD2 3.79Å; F66-L111 HydrophobicContact CZ-CG 3.79Å; L111-D115 HydrophobicContact CD1-CB 3.81Å; L111-L117 HydrophobicContact CD1-CD2 3.84Å; L111-L117 HydrophobicContact CD2-CD2 4.17Å; L111-Y120 HydrophobicContact CD1-CE2 4.05Å; L111-F128 HydrophobicContact CB-CB 4.46Å; L111-F128 HydrophobicContact CB-CD2 4Å; L111-F128 HydrophobicContact CD1-CD2 4.25Å; L111-F128 HydrophobicContact CD1-CG 4.49Å; L111-F128 HydrophobicContact CD2-CD2 4.03Å; L111-F128 HydrophobicContact CD2-CE2 4.07Å; L111-F128 HydrophobicContact CG-CD2 4.34Å; L111-Y129 PolarHBondContact N-O 2.55Å
112N84.4Confident89.2Confident78 Ų7854.4 Ų54.442%0.41729%0.286SS..  trans-87.9157.6174.7-56.2-56.5000111F66 L110 T114 D115F66-N112 WeakPolarHBondContact CZ-O 3.33Å; L110-N112 PolarHBondContact O-N 3.29Å; N112-T114 PolarHBondContact O-N 3.38Å; N112-T114 VanDerWaalsContact O-N 3.12Å; N112-D115 PolarHBondContact N-OD2 3.02Å; N112-D115 WeakPolarHBondContact O-CB 3.45Å; N112-D115 PolarHBondContact O-N 3.14Å
113E77.4Confident88.9Confident130 Ų13061 Ų6161%0.60732%0.315SS*.THydrogen-bonded Turntrans-57.2-26.9176.7-66.7172.6-166.500113.5
114T79.5Confident88.7Confident127 Ų12765.3 Ų65.378%0.77934%0.338SS*.THydrogen-bonded Turntrans-92.6-6.5-179.953.50000113.9N112N112-T114 PolarHBondContact O-N 3.38Å; N112-T114 VanDerWaalsContact O-N 3.12Å
115D85.3Confident88.6Confident31 Ų3166.3 Ų66.317%0.16634%0.339CS..  trans-72.5140.5-176.7-72.8-9.6000111.2Q72 L111 N112 Y120Q72-D115 PolarHBondContact NE2-O 3.43Å; L111-D115 HydrophobicContact CD1-CB 3.81Å; N112-D115 PolarHBondContact N-OD2 3.02Å; N112-D115 WeakPolarHBondContact O-CB 3.45Å; N112-D115 PolarHBondContact O-N 3.14Å; D115-Y120 HydrophobicContact CB-CE2 4.32Å; D115-Y120 PolarHBondContact OD2-OH 2.84Å
116I86.9Confident88.6Confident62 Ų6263.6 Ų63.632%0.31833%0.33SS..  trans-96.6119.3175.3-59.2175.1000109.2P73 S118 Q119P73-I116 HydrophobicContact CG-CG2 3.92Å; I116-S118 VanDerWaalsContact C-N 3.3Å; I116-S118 WeakPolarHBondContact CG2-OG 3.35Å; I116-S118 PolarHBondContact O-N 3.21Å; I116-Q119 HydrophobicContact CB-CG 4.06Å; I116-Q119 HydrophobicContact CG2-CG 4.37Å; I116-Q119 WeakPolarHBondContact O-CB 3.41Å; I116-Q119 PolarHBondContact O-N 3.27Å; I116-Q119 VanDerWaalsContact O-N 3.15Å
117L87.1Confident88.6Confident10 Ų1062.9 Ų62.95%0.05233%0.325CS..THydrogen-bonded Turntrans-58.7-38.2-173.6-72.4172.9000113.2F66 E67 Q72 L83 L111 Q119 Y120 F128F66-L117 HydrophobicContact CD1-CD1 4.49Å; F66-L117 HydrophobicContact CE1-CD1 4.47Å; F66-L117 HydrophobicContact CE1-CG 4.33Å; E67-L117 HydrophobicContact CG-CD1 4.08Å; Q72-L117 HydrophobicContact CG-CD1 4.44Å; Q72-L117 VanDerWaalsContact OE1-N 3.08Å; L83-L117 HydrophobicContact CD1-CB 3.92Å; L83-L117 HydrophobicContact CD2-CB 4.29Å; L83-L117 VanDerWaalsContact CD2-O 3.23Å; L83-L117 WeakPolarHBondContact CD2-O 3.49Å; L111-L117 HydrophobicContact CD1-CD2 3.84Å; L111-L117 HydrophobicContact CD2-CD2 4.17Å; L117-Q119 PolarHBondContact O-N 2.71Å; L117-Y120 WeakPolarHBondContact O-CB 3.25Å; L117-Y120 PolarHBondContact O-N 3.39Å; L117-Y120 VanDerWaalsContact O-N 3.14Å; L117-F128 HydrophobicContact CD2-CE1 4.21Å; L117-F128 HydrophobicContact CD2-CE2 4.26Å; L117-F128 HydrophobicContact CD2-CZ 3.91Å
118S86.8Confident88.6Confident32 Ų3260.8 Ų60.822%0.22431%0.308CS..THydrogen-bonded Turntrans-61.6-28.2-178.459.80000113.6I116 Y120 L121I116-S118 VanDerWaalsContact C-N 3.3Å; I116-S118 WeakPolarHBondContact CG2-OG 3.35Å; I116-S118 PolarHBondContact O-N 3.21Å; S118-Y120 PolarHBondContact O-N 3.3Å; S118-L121 WeakPolarHBondContact O-CB 3.29Å; S118-L121 PolarHBondContact O-N 3.5Å
119Q89.1Confident88.5Confident101 Ų10161.8 Ų61.847%0.47231%0.312SS..Hα-helixtrans-62.7-28.7178.7-66.2-180-0.800112.2I116 L117 L121 E122I116-Q119 HydrophobicContact CB-CG 4.06Å; I116-Q119 HydrophobicContact CG2-CG 4.37Å; I116-Q119 WeakPolarHBondContact O-CB 3.41Å; I116-Q119 PolarHBondContact O-N 3.27Å; I116-Q119 VanDerWaalsContact O-N 3.15Å; L117-Q119 PolarHBondContact O-N 2.71Å; Q119-L121 PolarHBondContact O-N 2.92Å; Q119-E122 PolarHBondContact O-N 3.15Å
120Y89.1Confident88.4Confident24 Ų2460.1 Ų60.19%0.09430%0.302CS..Hα-helixtrans-67.1-20.8175-71.9-85000112.8R86 T109 L111 D115 L117 S118 C126 F128R86-Y120 PolarHBondContact NH1-O 3.16Å; T109-Y120 WeakPolarHBondContact OG1-CE1 3.36Å; T109-Y120 PolarHBondContact OG1-OH 3.21Å; L111-Y120 HydrophobicContact CD1-CE2 4.05Å; D115-Y120 HydrophobicContact CB-CE2 4.32Å; D115-Y120 PolarHBondContact OD2-OH 2.84Å; L117-Y120 WeakPolarHBondContact O-CB 3.25Å; L117-Y120 PolarHBondContact O-N 3.39Å; L117-Y120 VanDerWaalsContact O-N 3.14Å; S118-Y120 PolarHBondContact O-N 3.3Å; Y120-C126 HydrophobicContact CD1-CB 4.45Å; Y120-F128 HydrophobicContact CD1-CB 4.11Å; Y120-F128 AromaticContact CD1-CD1 3.99Å; Y120-F128 HydrophobicContact CD1-CD1 3.99Å; Y120-F128 HydrophobicContact CD2-CD1 4.13Å; Y120-F128 HydrophobicContact CE1-CB 3.63Å; Y120-F128 HydrophobicContact CE1-CD1 4.33Å; Y120-F128 HydrophobicContact CE1-CG 4.41Å; Y120-F128 HydrophobicContact CE2-CB 4.34Å; Y120-F128 HydrophobicContact CE2-CD1 4.44Å; Y120-F128 AromaticContact CG-CD1 3.89Å; Y120-F128 HydrophobicContact CG-CD1 3.89Å
121L89.1Confident88.4Confident31 Ų3157.4 Ų57.416%0.16229%0.288CS..Hα-helixtrans-85-26.5175.6-61.9179.8000113.1Q79 Q82 L83 R86 S118 Q119 K123Q79-L121 HydrophobicContact CB-CD1 3.69Å; Q79-L121 HydrophobicContact CG-CD1 3.79Å; Q82-L121 HydrophobicContact CB-CD2 3.76Å; L83-L121 HydrophobicContact CD2-CD1 4.23Å; L83-L121 HydrophobicContact CD2-CD2 3.94Å; L83-L121 HydrophobicContact CD2-CG 3.77Å; L83-L121 HydrophobicContact CG-CD1 4.05Å; L83-L121 HydrophobicContact CG-CD2 4.18Å; L83-L121 HydrophobicContact CG-CG 4.11Å; R86-L121 HydrophobicContact CG-CD2 4Å; S118-L121 WeakPolarHBondContact O-CB 3.29Å; S118-L121 PolarHBondContact O-N 3.5Å; Q119-L121 PolarHBondContact O-N 2.92Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 2.91Å
122E87.9Confident88.6Confident150 Ų15057.9 Ų57.970%0.70129%0.291SS*.Hα-helixtrans-67-34.1-178.6-65.6172.3-168.300112.1Q119Q119-E122 PolarHBondContact O-N 3.15Å
123K87.5Confident89.1Confident142 Ų14254.7 Ų54.762%0.61727%0.274SS*.SBendtrans-98134.2177.6-65.2178.4-176.7171.50111.2R86 L121 C126R86-K123 PolarHBondContact NH1-O 3.25Å; R86-K123 PolarHBondContact NH2-O 3.03Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 2.91Å; K123-C126 HydrophobicContact CB-CB 4.13Å; K123-C126 WeakPolarHBondContact CB-SG 3.44Å
124E87.3Confident89.8Confident154 Ų15450.9 Ų50.972%0.7226%0.258SS*.THydrogen-bonded Turntrans-70.5151.5166.9-62-162.4163.800110.4C126E124-C126 PolarHBondContact O-N 2.84Å; E124-C126 VanDerWaalsContact O-N 3.13Å
125D91.2Very high90.2Very high36 Ų3646.4 Ų46.419%0.19323%0.231CC..THydrogen-bonded Turntrans62.418.2175.6-54.3-25.9000114.7Y13 C106 S107 K400 Y401Y13-D125 HydrophobicContact CE2-CB 4.33Å; Y13-D125 PolarHBondContact OH-OD1 3.34Å; Y13-D125 VanDerWaalsContact OH-OD1 3.11Å; C106-D125 CarbonylContact C-O 3.59Å; C106-D125 WeakPolarHBondContact CA-O 3.42Å; C106-D125 HydrophobicContact CB-CB 4.18Å; C106-D125 VanDerWaalsContact CB-O 3.3Å; C106-D125 WeakPolarHBondContact CB-O 3.41Å; S107-D125 PolarHBondContact N-O 3.02Å; D125-K400 WeakPolarHBondContact OD1-CD 3.31Å; D125-K400 WeakPolarHBondContact OD1-CE 3.24Å; D125-K400 IonicContact OD1-NZ 2.68Å; D125-K400 PolarHBondContact OD1-NZ 3.43Å; D125-K400 IonicContact OD2-NZ 3.45Å; D125-K400 PolarHBondContact OD2-NZ 2.99Å; D125-Y401 PolarHBondContact N-OH 3.3Å
126C93.8Very high90.4Very high18 Ų1851.1 Ų51.112%0.12226%0.26CS..EExtended strand (participates in β ladder)trans-98.6131173.9-72.90000111.8R86 S107 Y120 K123 E124R86-C126 WeakPolarHBondContact CD-O 3.02Å; R86-C126 PolarHBondContact NH1-O 2.75Å; S107-C126 CarbonylContact O-C 3.48Å; S107-C126 WeakPolarHBondContact O-CA 3.49Å; Y120-C126 HydrophobicContact CD1-CB 4.45Å; K123-C126 HydrophobicContact CB-CB 4.13Å; K123-C126 WeakPolarHBondContact CB-SG 3.44Å; E124-C126 PolarHBondContact O-N 2.84Å; E124-C126 VanDerWaalsContact O-N 3.13Å
127F95.7Very high90.5Very high0 Ų054.7 Ų54.70%028%0.276CS..EExtended strand (participates in β ladder)trans-130.2165.7175.4-59.5-93000109.9Y13 V24 R86 L88 C106 S107 V108 T109 Y401Y13-F127 AromaticContact CE1-CE2 3.7Å; Y13-F127 HydrophobicContact CE1-CE2 3.7Å; Y13-F127 AromaticContact CE1-CZ 3.8Å; Y13-F127 HydrophobicContact CE1-CZ 3.8Å; Y13-F127 AromaticContact CZ-CE2 3.75Å; Y13-F127 WeakPolarHBondContact OH-CE2 3.35Å; Y13-F127 WeakPolarHBondContact OH-CZ 3.43Å; V24-F127 HydrophobicContact CG2-CE2 4.33Å; V24-F127 HydrophobicContact CG2-CZ 4.27Å; R86-F127 CarbonylContact O-C 3.59Å; R86-F127 WeakPolarHBondContact O-CA 3.47Å; R86-F127 WeakPolarHBondContact O-CB 3.43Å; R86-F127 WeakPolarHBondContact O-CD1 3.4Å; L88-F127 HydrophobicContact CD1-CB 3.62Å; L88-F127 HydrophobicContact CD1-CD1 3.83Å; L88-F127 HydrophobicContact CD1-CD2 4.31Å; L88-F127 HydrophobicContact CD1-CG 3.68Å; L88-F127 HydrophobicContact CD2-CD1 4.3Å; L88-F127 HydrophobicContact CG-CB 4.07Å; L88-F127 HydrophobicContact CG-CD1 3.89Å; L88-F127 HydrophobicContact CG-CG 4.17Å; C106-F127 HydrophobicContact CB-CD2 4.19Å; C106-F127 HydrophobicContact CB-CE2 3.93Å; S107-F127 PolarHBondContact O-N 3.27Å; V108-F127 WeakPolarHBondContact CA-O 3.33Å; V108-F127 HydrophobicContact CB-CB 4.47Å; V108-F127 HydrophobicContact CG1-CB 4.17Å; V108-F127 HydrophobicContact CG2-CB 4.09Å; V108-F127 HydrophobicContact CG2-CD2 4.34Å; T109-F127 PolarHBondContact N-O 3.01Å; T109-F127 VanDerWaalsContact N-O 3.17Å; F127-Y401 AromaticContact CE1-CD1 3.55Å; F127-Y401 HydrophobicContact CE1-CD1 3.55Å; F127-Y401 AromaticContact CE1-CE1 3.91Å; F127-Y401 HydrophobicContact CE1-CE1 3.91Å; F127-Y401 HydrophobicContact CE2-CE1 4.39Å; F127-Y401 AromaticContact CZ-CD1 3.61Å; F127-Y401 HydrophobicContact CZ-CD1 3.61Å; F127-Y401 AromaticContact CZ-CE1 3.66Å; F127-Y401 HydrophobicContact CZ-CE1 3.66Å
128F94.5Very high90.7Very high12 Ų1261.2 Ų61.25%0.05330%0.304CS..EExtended strand (participates in β ladder)trans-136.6162.217165.3-88.1000111.3L83 R86 E87 L88 T109 L111 L117 Y120L83-F128 HydrophobicContact CD2-CE1 4.34Å; R86-F128 HydrophobicContact CB-CD1 4.25Å; R86-F128 HydrophobicContact CB-CE1 4.04Å; R86-F128 PolarHBondContact O-N 2.86Å; E87-F128 WeakPolarHBondContact CA-O 3.46Å; E87-F128 HydrophobicContact CB-CE1 4.49Å; E87-F128 HydrophobicContact CB-CE2 4.03Å; E87-F128 HydrophobicContact CB-CZ 3.89Å; E87-F128 HydrophobicContact CG-CE2 3.94Å; E87-F128 HydrophobicContact CG-CZ 4.29Å; L88-F128 PolarHBondContact N-O 3.45Å; T109-F128 CarbonylContact O-C 2.96Å; T109-F128 WeakPolarHBondContact O-CA 3.46Å; L111-F128 HydrophobicContact CB-CB 4.46Å; L111-F128 HydrophobicContact CB-CD2 4Å; L111-F128 HydrophobicContact CD1-CD2 4.25Å; L111-F128 HydrophobicContact CD1-CG 4.49Å; L111-F128 HydrophobicContact CD2-CD2 4.03Å; L111-F128 HydrophobicContact CD2-CE2 4.07Å; L111-F128 HydrophobicContact CG-CD2 4.34Å; L117-F128 HydrophobicContact CD2-CE1 4.21Å; L117-F128 HydrophobicContact CD2-CE2 4.26Å; L117-F128 HydrophobicContact CD2-CZ 3.91Å; Y120-F128 HydrophobicContact CD1-CB 4.11Å; Y120-F128 AromaticContact CD1-CD1 3.99Å; Y120-F128 HydrophobicContact CD1-CD1 3.99Å; Y120-F128 HydrophobicContact CD2-CD1 4.13Å; Y120-F128 HydrophobicContact CE1-CB 3.63Å; Y120-F128 HydrophobicContact CE1-CD1 4.33Å; Y120-F128 HydrophobicContact CE1-CG 4.41Å; Y120-F128 HydrophobicContact CE2-CB 4.34Å; Y120-F128 HydrophobicContact CE2-CD1 4.44Å; Y120-F128 AromaticContact CG-CD1 3.89Å; Y120-F128 HydrophobicContact CG-CD1 3.89Å
129Y93.4Very high90.8Very high28 Ų2862 Ų6211%0.1131%0.307CS..EExtended strand (participates in β ladder)trans-137146.9167.472.3-81.1000110L88 L90 V108 T109 L110 L111L88-Y129 WeakPolarHBondContact O-CA 3.34Å; L88-Y129 WeakPolarHBondContact O-CB 3.16Å; L90-Y129 HydrophobicContact CB-CD2 3.66Å; L90-Y129 HydrophobicContact CB-CE2 3.87Å; L90-Y129 HydrophobicContact CB-CG 4.15Å; L90-Y129 HydrophobicContact CD2-CD2 4.32Å; L90-Y129 HydrophobicContact CD2-CE2 3.63Å; L90-Y129 HydrophobicContact CG-CE2 4.37Å; V108-Y129 HydrophobicContact CG1-CD1 3.93Å; T109-Y129 WeakPolarHBondContact O-CD1 3.46Å; T109-Y129 PolarHBondContact O-N 3.31Å; L110-Y129 WeakPolarHBondContact CA-O 3.36Å; L110-Y129 HydrophobicContact CB-CE1 4.14Å; L110-Y129 HydrophobicContact CB-CE2 4.49Å; L110-Y129 HydrophobicContact CD1-CD2 4.02Å; L110-Y129 HydrophobicContact CD1-CE2 3.51Å; L111-Y129 PolarHBondContact N-O 2.55Å
130S90.6Very high90.8Very high22 Ų2257.8 Ų57.815%0.15429%0.288CS..  trans-125.5-17.6171.856.40000112.4D143S130-D143 PolarHBondContact O-N 3.37Å
131L91.6Very high90.7Very high6 Ų662 Ų623%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-119.9144.2-175.5-58.8179.1000111.2A59 N62 F89 L90 L140 L141 A142A59-L131 HydrophobicContact CB-CD1 4.07Å; N62-L131 HydrophobicContact CB-CD1 4.4Å; F89-L131 HydrophobicContact CD1-CB 3.94Å; F89-L131 HydrophobicContact CE1-CB 4.26Å; F89-L131 HydrophobicContact CE1-CD1 4.12Å; L90-L131 PolarHBondContact N-O 3.14Å; L131-L140 HydrophobicContact CB-CD2 4.2Å; L131-L140 HydrophobicContact CD1-CB 4.43Å; L131-L140 HydrophobicContact CD1-CD1 4.22Å; L131-L141 CarbonylContact C-O 3.48Å; L131-L141 WeakPolarHBondContact CA-O 3.5Å; L131-A142 HydrophobicContact CD2-CB 4.13Å
132V92.7Very high90.2Very high21 Ų2163.1 Ų63.113%0.12733%0.325CS..EExtended strand (participates in β ladder)trans-97.8125.2172.2-177.70000109.1L90 L140 L141 D143L90-V132 CarbonylContact O-C 3.49Å; L90-V132 VanDerWaalsContact O-CA 3.28Å; L90-V132 WeakPolarHBondContact O-CA 3.49Å; L90-V132 WeakPolarHBondContact O-CG1 3.43Å; V132-L140 WeakPolarHBondContact O-CA 3.47Å; V132-L141 PolarHBondContact N-O 3.11Å; V132-L141 PolarHBondContact O-N 3.24Å; V132-D143 HydrophobicContact CG2-CB 3.91Å
133F94.6Very high89.1Confident11 Ų1159.3 Ų59.35%0.04831%0.309CS..EExtended strand (participates in β ladder)trans-100.2121.9176.2177.6-122.3000111.5F46 I51 L55 F89 L90 S91 P135 T139 L140F46-F133 HydrophobicContact CB-CD1 4.13Å; F46-F133 HydrophobicContact CD1-CD1 4.26Å; F46-F133 HydrophobicContact CD1-CE1 4.14Å; F46-F133 AromaticContact CD2-CD1 3.75Å; F46-F133 HydrophobicContact CD2-CD1 3.75Å; F46-F133 HydrophobicContact CD2-CE1 4.34Å; F46-F133 HydrophobicContact CE1-CE1 4.34Å; F46-F133 HydrophobicContact CE2-CD1 4.19Å; F46-F133 AromaticContact CG-CD1 3.78Å; F46-F133 HydrophobicContact CG-CD1 3.78Å; F46-F133 HydrophobicContact CG-CE1 4.13Å; I51-F133 HydrophobicContact CB-CE2 4.49Å; I51-F133 HydrophobicContact CG2-CD1 3.88Å; I51-F133 HydrophobicContact CG2-CD2 3.87Å; I51-F133 HydrophobicContact CG2-CE1 3.75Å; I51-F133 HydrophobicContact CG2-CE2 3.77Å; I51-F133 HydrophobicContact CG2-CG 3.95Å; I51-F133 HydrophobicContact CG2-CZ 3.7Å; L55-F133 HydrophobicContact CD1-CD2 4.21Å; L55-F133 HydrophobicContact CD1-CE2 3.64Å; F89-F133 HydrophobicContact CB-CB 3.7Å; L90-F133 PolarHBondContact O-N 3.26Å; S91-F133 WeakPolarHBondContact CA-O 3.35Å; S91-F133 WeakPolarHBondContact CB-O 3.23Å; S91-F133 PolarHBondContact OG-O 2.66Å; S91-F133 VanDerWaalsContact OG-O 3.05Å; F133-P135 HydrophobicContact CD1-CB 4.33Å; F133-P135 HydrophobicContact CE1-CB 3.75Å; F133-P135 HydrophobicContact CZ-CB 4.27Å; F133-P135 VanDerWaalsContact O-CD 3.23Å; F133-P135 WeakPolarHBondContact O-CD 3.15Å; F133-T139 WeakPolarHBondContact CA-O 3.25Å; F133-T139 WeakPolarHBondContact CD2-O 3.49Å; F133-L140 HydrophobicContact CB-CD2 3.72Å; F133-L140 HydrophobicContact CD2-CD2 3.97Å; F133-L140 HydrophobicContact CD2-CG 4.37Å; F133-L140 HydrophobicContact CG-CD2 4.27Å
134D91.4Very high88Confident51 Ų5158 Ų5827%0.27331%0.306SS..EExtended strand (participates in β ladder)trans-91.4106.7167.3-173.5-28.9000109.5V136 Q137 K138 T139D134-V136 VanDerWaalsContact C-N 3.27Å; D134-V136 PolarHBondContact O-N 3.02Å; D134-V136 WeakPolarHBondContact OD1-CA 3.49Å; D134-V136 WeakPolarHBondContact OD1-CB 3.43Å; D134-V136 PolarHBondContact OD1-N 3.03Å; D134-Q137 HydrophobicContact CB-CB 4.15Å; D134-Q137 PolarHBondContact OD1-N 3.08Å; D134-Q137 VanDerWaalsContact OD2-CG 3.27Å; D134-Q137 WeakPolarHBondContact OD2-CG 3.4Å; D134-K138 WeakPolarHBondContact O-CA 3.24Å; D134-K138 PolarHBondContact O-N 3.44Å; D134-T139 PolarHBondContact N-O 3.49Å; D134-T139 PolarHBondContact O-N 2.87Å
135P89.4Confident86.6Confident33 Ų3354.8 Ų54.821%0.21431%0.313CS..THydrogen-bonded Turntrans-71.3-20.5-179.226.3-33.1000113.3F46 S91 Q93 F133F46-P135 HydrophobicContact CE2-CG 4.47Å; F46-P135 HydrophobicContact CZ-CB 4.21Å; F46-P135 HydrophobicContact CZ-CG 4.42Å; S91-P135 WeakPolarHBondContact OG-CD 3.42Å; Q93-P135 HydrophobicContact CB-CG 4.01Å; F133-P135 HydrophobicContact CD1-CB 4.33Å; F133-P135 HydrophobicContact CE1-CB 3.75Å; F133-P135 HydrophobicContact CZ-CB 4.27Å; F133-P135 VanDerWaalsContact O-CD 3.23Å; F133-P135 WeakPolarHBondContact O-CD 3.15Å
136V88.9Confident85.3Confident129 Ų12961 Ų6178%0.78234%0.341SS*.THydrogen-bonded Turntrans-80.3-48.1178.6-177.60000109.8D134D134-V136 VanDerWaalsContact C-N 3.27Å; D134-V136 PolarHBondContact O-N 3.02Å; D134-V136 WeakPolarHBondContact OD1-CA 3.49Å; D134-V136 WeakPolarHBondContact OD1-CB 3.43Å; D134-V136 PolarHBondContact OD1-N 3.03Å
137Q87.9Confident84.6Confident137 Ų13767.5 Ų67.564%0.6437%0.373SS*.THydrogen-bonded Turntrans-84.8-17.6179.9-62.5-172.5-3.700113.4D134 T139D134-Q137 HydrophobicContact CB-CB 4.15Å; D134-Q137 PolarHBondContact OD1-N 3.08Å; D134-Q137 VanDerWaalsContact OD2-CG 3.27Å; D134-Q137 WeakPolarHBondContact OD2-CG 3.4Å; Q137-T139 HydrophobicContact CB-CG2 4.08Å
138K91.5Very high83.8Confident148 Ų14874.7 Ų74.764%0.64340%0.4SS*.THydrogen-bonded Turntrans56.649.9-173.1-55.6-177.2179.2-176.80111.9D134D134-K138 WeakPolarHBondContact O-CA 3.24Å; D134-K138 PolarHBondContact O-N 3.44Å
139T89.9Confident83.2Confident48 Ų4880 Ų8029%0.29443%0.433SS..EExtended strand (participates in β ladder)trans-119.9149179.452.90000110.5F133 D134 Q137F133-T139 WeakPolarHBondContact CA-O 3.25Å; F133-T139 WeakPolarHBondContact CD2-O 3.49Å; D134-T139 PolarHBondContact N-O 3.49Å; D134-T139 PolarHBondContact O-N 2.87Å; Q137-T139 HydrophobicContact CB-CG2 4.08Å
140L89.5Confident82.7Confident13 Ų1379.9 Ų79.97%0.06844%0.441CS..EExtended strand (participates in β ladder)trans-113.4131168.3-75.4173.1000108I51 L55 L58 A59 F89 L131 V132 F133I51-L140 HydrophobicContact CD1-CD1 4.02Å; L55-L140 HydrophobicContact CB-CD1 3.74Å; L55-L140 HydrophobicContact CB-CG 4.29Å; L55-L140 HydrophobicContact CD2-CB 4.38Å; L55-L140 HydrophobicContact CD2-CD1 4.25Å; L55-L140 HydrophobicContact CD2-CG 4.12Å; L55-L140 HydrophobicContact CG-CD1 4.47Å; L55-L140 WeakPolarHBondContact O-CD1 3.24Å; L58-L140 HydrophobicContact CD2-CB 4.19Å; A59-L140 HydrophobicContact CB-CD1 4.25Å; F89-L140 HydrophobicContact CB-CD2 4.39Å; F89-L140 HydrophobicContact CD1-CD2 3.66Å; F89-L140 HydrophobicContact CE1-CD1 4.39Å; F89-L140 HydrophobicContact CE1-CD2 4.17Å; F89-L140 HydrophobicContact CG-CD2 4.05Å; L131-L140 HydrophobicContact CB-CD2 4.2Å; L131-L140 HydrophobicContact CD1-CB 4.43Å; L131-L140 HydrophobicContact CD1-CD1 4.22Å; V132-L140 WeakPolarHBondContact O-CA 3.47Å; F133-L140 HydrophobicContact CB-CD2 3.72Å; F133-L140 HydrophobicContact CD2-CD2 3.97Å; F133-L140 HydrophobicContact CD2-CG 4.37Å; F133-L140 HydrophobicContact CG-CD2 4.27Å
141L86.6Confident82.2Confident112 Ų11284.8 Ų84.859%0.58647%0.474SS*.EExtended strand (participates in β ladder)trans-127.6141.7177.1-63.3173000108.7L131 V132L131-L141 CarbonylContact C-O 3.48Å; L131-L141 WeakPolarHBondContact CA-O 3.5Å; V132-L141 PolarHBondContact N-O 3.11Å; V132-L141 PolarHBondContact O-N 3.24Å
142A78.1Confident81.8Confident54 Ų5493.4 Ų93.445%0.44651%0.511SS..EExtended strand (participates in β ladder)trans-63.6137.8167.200000109.2L131 Q144L131-A142 HydrophobicContact CD2-CB 4.13Å; A142-Q144 PolarHBondContact O-N 2.9Å
143D65.4Low81.4Confident70 Ų7098.4 Ų98.437%0.37453%0.529SS..SBendtrans-76.77.7175.8-155.122.9000112.3L110 S130 V132L110-D143 HydrophobicContact CD1-CB 4.45Å; S130-D143 PolarHBondContact O-N 3.37Å; V132-D143 HydrophobicContact CG2-CB 3.91Å
144Q63.2Low81.3Confident116 Ų116102.5 Ų102.554%0.54255%0.548SS..PPolyproline II helixtrans-103.8127.5-176.5-66.9-172.5-21.100111.6A142A142-Q144 PolarHBondContact O-N 2.9Å
145G58.3Low81.5Confident85 Ų85104.3 Ų104.388%0.87657%0.569SS**PPolyproline II helixtrans-76.8121.5165.700000109.9
146E63.4Low81.8Confident168 Ų168111.5 Ų111.579%0.78560%0.6SS**PPolyproline II helixtrans-98.2134.5-178.4-165.5-167.6160.300111.6
147I79.4Confident82.1Confident153 Ų153112.3 Ų112.379%0.78560%0.599SS**PPolyproline II helixtrans-73130.1171.1-171.6168.6000110.2
148R78.8Confident82.4Confident152 Ų152111.3 Ų111.357%0.57460%0.604SS**PPolyproline II helixtrans-103.4134-176.3-59.1-170.3-177.8174.63.4111.9Y153R148-Y153 HydrophobicContact CB-CD1 3.95Å; R148-Y153 HydrophobicContact CB-CD2 3.74Å; R148-Y153 HydrophobicContact CB-CE1 3.99Å; R148-Y153 HydrophobicContact CB-CE2 3.76Å; R148-Y153 HydrophobicContact CB-CG 3.83Å; R148-Y153 VanDerWaalsContact CD-CE1 3.45Å; R148-Y153 VanDerWaalsContact CD-OH 3.3Å; R148-Y153 WeakPolarHBondContact CD-OH 3.45Å; R148-Y153 HydrophobicContact CG-CE1 4.37Å; R148-Y153 PolarHBondContact NH1-OH 2.9Å; R148-Y153 VanDerWaalsContact NH1-OH 3.11Å
149V83.5Confident82.5Confident122 Ų122111.8 Ų111.874%0.73961%0.614SS**  trans-113.9130.5176.3-1770000110.7
150G81Confident82.7Confident27 Ų27120.1 Ų120.128%0.27864%0.64SS.*SBendtrans152.9158.6174.300000112.6K152 Y153 Q154G150-K152 PolarHBondContact O-N 3.09Å; G150-Y153 WeakPolarHBondContact O-CA 3.45Å; G150-Y153 WeakPolarHBondContact O-CB 3.34Å; G150-Y153 PolarHBondContact O-N 2.83Å; G150-Q154 PolarHBondContact O-N 3.42Å; G150-Q154 VanDerWaalsContact O-N 3.09Å; G150-Q154 PolarHBondContact O-OE1 3.42Å
151C81.4Confident82.9Confident124 Ų124123.5 Ų123.584%0.83866%0.657SS**THydrogen-bonded Turntrans-56.3-9.2-176.760.50000116.6
152K83.1Confident83.3Confident187 Ų187121.1 Ų121.181%0.81365%0.654SS**THydrogen-bonded Turntrans-86.9-10.7172.2-62-178-179.4178.30113.4G150G150-K152 PolarHBondContact O-N 3.09Å
153Y84.8Confident83.8Confident127 Ų127127.5 Ų127.550%0.49868%0.675SS.*THydrogen-bonded Turntrans-120.4-42.5-172.9-56.4-69.9000111.3R148 G150R148-Y153 HydrophobicContact CB-CD1 3.95Å; R148-Y153 HydrophobicContact CB-CD2 3.74Å; R148-Y153 HydrophobicContact CB-CE1 3.99Å; R148-Y153 HydrophobicContact CB-CE2 3.76Å; R148-Y153 HydrophobicContact CB-CG 3.83Å; R148-Y153 VanDerWaalsContact CD-CE1 3.45Å; R148-Y153 VanDerWaalsContact CD-OH 3.3Å; R148-Y153 WeakPolarHBondContact CD-OH 3.45Å; R148-Y153 HydrophobicContact CG-CE1 4.37Å; R148-Y153 PolarHBondContact NH1-OH 2.9Å; R148-Y153 VanDerWaalsContact NH1-OH 3.11Å; G150-Y153 WeakPolarHBondContact O-CA 3.45Å; G150-Y153 WeakPolarHBondContact O-CB 3.34Å; G150-Y153 PolarHBondContact O-N 2.83Å
154Q92.6Very high84.9Confident97 Ų97128.4 Ų128.445%0.45370%0.701SS.*SBendtrans-71.9139.3172.9-77.484.427.700111.6G150G150-Q154 PolarHBondContact O-N 3.42Å; G150-Q154 VanDerWaalsContact O-N 3.09Å; G150-Q154 PolarHBondContact O-OE1 3.42Å
155A95.8Very high86.3Confident88 Ų88128.2 Ų128.273%0.72770%0.7SS**PPolyproline II helixtrans-68.7147.3166.500000110.3I157A155-I157 PolarHBondContact O-N 3.24Å
156E94.6Very high87.7Confident185 Ų185127.6 Ų127.686%0.86468%0.682SS**PPolyproline II helixtrans-72.3124164.7-173.1168.3-165.300108P158E156-P158 WeakPolarHBondContact O-CD 3.33Å
157I95.3Very high89Confident146 Ų146123.2 Ų123.275%0.74966%0.664SS**PPolyproline II helixtrans-77.5119.7-176.9-59.9175.2000107.3A155 D159A155-I157 PolarHBondContact O-N 3.24Å; I157-D159 PolarHBondContact O-N 3.02Å
158P94.4Very high89.6Confident116 Ų116122.6 Ų122.675%0.75366%0.662SS**PPolyproline II helixtrans-60.8136.2174.6-21.533.6000110.5E156E156-P158 WeakPolarHBondContact O-CD 3.33Å
159D93.3Very high90.3Very high157 Ų157123.1 Ų123.184%0.8466%0.664SS**PPolyproline II helixtrans-62.5146.4176.4-69-37.5000110.8I157 L161I157-D159 PolarHBondContact O-N 3.02Å; D159-L161 PolarHBondContact O-N 3.35Å
160R93.6Very high90.8Very high224 Ų224120.9 Ų120.985%0.84565%0.648SS**PPolyproline II helixtrans-67.9126.8174.3-179.4179.3172.8-174.3-3.5108.9
161L95.3Very high91.4Very high83 Ų83125.6 Ų125.644%0.43566%0.662SS.*PPolyproline II helixtrans-59.5141.6173.5-64.1174.1000110.9D159 E165 D167D159-L161 PolarHBondContact O-N 3.35Å; L161-E165 HydrophobicContact CB-CB 4.49Å; L161-E165 HydrophobicContact CD2-CG 4.3Å; L161-D167 HydrophobicContact CD1-CB 3.71Å
162A93.3Very high91.9Very high63 Ų63128.2 Ų128.252%0.52166%0.662SS.*PPolyproline II helixtrans-68.4158.4174.800000111.2G164 E165A162-G164 PolarHBondContact O-N 3.28Å; A162-E165 HydrophobicContact CB-CB 4.27Å; A162-E165 PolarHBondContact N-OE2 2.9Å; A162-E165 VanDerWaalsContact N-OE2 3.12Å; A162-E165 WeakPolarHBondContact O-CB 3.21Å; A162-E165 PolarHBondContact O-N 2.86Å
163E88.8Confident92.4Very high188 Ų188128 Ų12888%0.87966%0.661SS**THydrogen-bonded Turntrans-61.2124.6175.9-68.8-177.3176.800110.5E165E163-E165 VanDerWaalsContact C-N 3.33Å
164G88.8Confident92.9Very high89 Ų89127 Ų12792%0.91866%0.663SS**THydrogen-bonded Turntrans85.9-7-176.500000115.2A162A162-G164 PolarHBondContact O-N 3.28Å
165E92.8Very high93.1Very high112 Ų112128.8 Ų128.852%0.52367%0.671SS.*  trans-78127173.4-169.9-180-172.400110.6L161 A162 E163L161-E165 HydrophobicContact CB-CB 4.49Å; L161-E165 HydrophobicContact CD2-CG 4.3Å; A162-E165 HydrophobicContact CB-CB 4.27Å; A162-E165 PolarHBondContact N-OE2 2.9Å; A162-E165 VanDerWaalsContact N-OE2 3.12Å; A162-E165 WeakPolarHBondContact O-CB 3.21Å; A162-E165 PolarHBondContact O-N 2.86Å; E163-E165 VanDerWaalsContact C-N 3.33Å
166S87.6Confident93Very high71 Ų71132.1 Ų132.150%0.49767%0.674SS.*  trans-84.2142.8176.566.10000111.5N168S166-N168 PolarHBondContact O-N 3.16Å; S166-N168 VanDerWaalsContact O-N 3.09Å; S166-N168 PolarHBondContact O-ND2 3.29Å; S166-N168 PolarHBondContact OG-OD1 3.45Å
167D91.3Very high92.9Very high76 Ų76129 Ų12941%0.40666%0.657SS.*  trans-69.4-2.6175.567.54.1000114.6L161 R169L161-D167 HydrophobicContact CD1-CB 3.71Å; D167-R169 HydrophobicContact CB-CG 4.34Å; D167-R169 PolarHBondContact O-N 2.92Å; D167-R169 PolarHBondContact OD1-N 3.4Å; D167-R169 VanDerWaalsContact OD1-N 3.1Å; D167-R169 IonicContact OD2-CZ 3.58Å; D167-R169 IonicContact OD2-NE 3.76Å; D167-R169 PolarHBondContact OD2-NE 3.07Å; D167-R169 IonicContact OD2-NH2 3.12Å; D167-R169 PolarHBondContact OD2-NH2 3.48Å
168N90.9Very high92.9Very high140 Ų140126.1 Ų126.175%0.74965%0.646SS**  trans54.820.4-179.5-62.9-54.4000114.5S166S166-N168 PolarHBondContact O-N 3.16Å; S166-N168 VanDerWaalsContact O-N 3.09Å; S166-N168 PolarHBondContact O-ND2 3.29Å; S166-N168 PolarHBondContact OG-OD1 3.45Å
169R93.6Very high93.1Very high164 Ų164124 Ų12462%0.61962%0.623SS**  trans-82.2127.5-178.6-70.2-168.4-66.4171.3-3.5111.2D167 Q171 M174D167-R169 HydrophobicContact CB-CG 4.34Å; D167-R169 PolarHBondContact O-N 2.92Å; D167-R169 PolarHBondContact OD1-N 3.4Å; D167-R169 VanDerWaalsContact OD1-N 3.1Å; D167-R169 IonicContact OD2-CZ 3.58Å; D167-R169 IonicContact OD2-NE 3.76Å; D167-R169 PolarHBondContact OD2-NE 3.07Å; D167-R169 IonicContact OD2-NH2 3.12Å; D167-R169 PolarHBondContact OD2-NH2 3.48Å; R169-Q171 PolarHBondContact O-N 3.4Å; R169-M174 HydrophobicContact CB-CE 3.67Å; R169-M174 HydrophobicContact CB-SD 4.39Å; R169-M174 HydrophobicContact CG-CE 4.38Å
170N93.8Very high93.2Very high74 Ų74118.4 Ų118.440%0.39659%0.593SS.*  trans-89.9100.7175-176-24.2000110.7Q172 K173 M174N170-Q172 VanDerWaalsContact C-N 3.33Å; N170-Q172 PolarHBondContact O-N 3.34Å; N170-Q172 WeakPolarHBondContact OD1-CB 3.29Å; N170-Q172 PolarHBondContact OD1-N 3.35Å; N170-Q172 VanDerWaalsContact OD1-N 3.11Å; N170-K173 HydrophobicContact CB-CD 4.47Å; N170-K173 PolarHBondContact O-N 2.75Å; N170-K173 PolarHBondContact OD1-N 3.22Å; N170-M174 WeakPolarHBondContact O-CG 3.29Å; N170-M174 PolarHBondContact O-N 3.19Å
171Q94.1Very high93.3Very high126 Ų126112.5 Ų112.559%0.58958%0.584SS**Hα-helixtrans-60.9-37.6-178-66.7-175.112.800113.2R169 K173 M174 E175R169-Q171 PolarHBondContact O-N 3.4Å; Q171-K173 PolarHBondContact O-N 3.31Å; Q171-K173 VanDerWaalsContact O-N 3.09Å; Q171-M174 HydrophobicContact CG-CE 4.27Å; Q171-M174 PolarHBondContact O-N 3.25Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 2.9Å
172Q91.9Very high93.3Very high179 Ų179115.7 Ų115.784%0.83660%0.601SS**Hα-helixtrans-62.5-22.7-179.7-61.6176.8-5.900113.4N170N170-Q172 VanDerWaalsContact C-N 3.33Å; N170-Q172 PolarHBondContact O-N 3.34Å; N170-Q172 WeakPolarHBondContact OD1-CB 3.29Å; N170-Q172 PolarHBondContact OD1-N 3.35Å; N170-Q172 VanDerWaalsContact OD1-N 3.11Å
173K94.2Very high93.4Very high182 Ų182114 Ų11479%0.79158%0.584SS**Hα-helixtrans-89.2-19.2173.9-69.5-175179.5-179.90113.4N170 Q171N170-K173 HydrophobicContact CB-CD 4.47Å; N170-K173 PolarHBondContact O-N 2.75Å; N170-K173 PolarHBondContact OD1-N 3.22Å; Q171-K173 PolarHBondContact O-N 3.31Å; Q171-K173 VanDerWaalsContact O-N 3.09Å
174M95.6Very high93.8Very high108 Ų108110 Ų11053%0.53257%0.574SS.*Hα-helixtrans-96-30.4-176.3-65.2-169.2-59.600112.1R169 N170 Q171R169-M174 HydrophobicContact CB-CE 3.67Å; R169-M174 HydrophobicContact CB-SD 4.39Å; R169-M174 HydrophobicContact CG-CE 4.38Å; N170-M174 WeakPolarHBondContact O-CG 3.29Å; N170-M174 PolarHBondContact O-N 3.19Å; Q171-M174 HydrophobicContact CG-CE 4.27Å; Q171-M174 PolarHBondContact O-N 3.25Å
175E95.6Very high94.2Very high133 Ų133106.9 Ų106.962%0.62154%0.536SS*.  trans-147.8157.9-175.259.9-177.4-140.500113Q171Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 2.9Å
176M93.8Very high94.4Very high159 Ų159105.3 Ų105.378%0.78353%0.534SS*.  trans-129.4128.5175.3154.8177-7900107.4V178M176-V178 HydrophobicContact CG-CG2 4.22Å; M176-V178 PolarHBondContact O-N 3.44Å
177K93.4Very high94.9Very high120 Ų120108 Ų10852%0.52254%0.543SS..  trans-72.9119.6175.2-167.2173.6-167.2176.90109.9W179 D180K177-W179 VanDerWaalsContact CE-O 3.32Å; K177-W179 WeakPolarHBondContact CE-O 3.48Å; K177-W179 WeakPolarHBondContact CG-O 3.43Å; K177-D180 VanDerWaalsContact CE-CG 3.46Å; K177-D180 WeakPolarHBondContact CE-OD1 2.89Å; K177-D180 IonicContact NZ-OD1 2.76Å; K177-D180 PolarHBondContact NZ-OD1 2.61Å; K177-D180 IonicContact NZ-OD2 3.16Å; K177-D180 PolarHBondContact NZ-OD2 2.92Å
178V95.9Very high95.2Very high85 Ų85113.2 Ų113.252%0.51556%0.557SS.*  trans-105.6-19.2-180-177.90000112.2M176 Q239M176-V178 HydrophobicContact CG-CG2 4.22Å; M176-V178 PolarHBondContact O-N 3.44Å; V178-Q239 WeakPolarHBondContact O-CB 3.47Å; V178-Q239 VanDerWaalsContact O-CG 3.31Å; V178-Q239 WeakPolarHBondContact O-CG 3.22Å
179W96.9Very high95.5Very high72 Ų72109.8 Ų109.827%0.27354%0.536SS..  trans-153.9151.9175.6-177.2-99.4000110.1K177 I190 M235 L238 Y243K177-W179 VanDerWaalsContact CE-O 3.32Å; K177-W179 WeakPolarHBondContact CE-O 3.48Å; K177-W179 WeakPolarHBondContact CG-O 3.43Å; W179-I190 HydrophobicContact CH2-CD1 4.03Å; W179-I190 HydrophobicContact CH2-CG1 4.42Å; W179-I190 HydrophobicContact CH2-CG2 4.38Å; W179-I190 HydrophobicContact CZ2-CD1 3.94Å; W179-M235 HydrophobicContact CD2-CE 3.96Å; W179-M235 HydrophobicContact CE3-CB 4.1Å; W179-M235 HydrophobicContact CE3-CE 3.76Å; W179-M235 HydrophobicContact CH2-CE 3.24Å; W179-M235 HydrophobicContact CH2-SD 3.87Å; W179-M235 HydrophobicContact CZ2-CE 3.47Å; W179-M235 VanDerWaalsContact CZ2-CE 3.47Å; W179-M235 HydrophobicContact CZ3-CB 4.04Å; W179-M235 HydrophobicContact CZ3-CE 3.39Å; W179-M235 HydrophobicContact CZ3-SD 3.79Å; W179-L238 HydrophobicContact CH2-CD1 4.21Å; W179-L238 HydrophobicContact CZ3-CB 4.13Å; W179-L238 HydrophobicContact CZ3-CD1 4.18Å; W179-Y243 HydrophobicContact CE3-CE1 4.1Å; W179-Y243 AromaticContact CH2-CE1 3.72Å; W179-Y243 HydrophobicContact CH2-CE1 3.72Å; W179-Y243 HydrophobicContact CZ2-CE1 4.16Å; W179-Y243 AromaticContact CZ3-CE1 3.69Å; W179-Y243 HydrophobicContact CZ3-CE1 3.69Å
180D96.2Very high95.8Very high39 Ų39102.6 Ų102.621%0.20951%0.51CS..  trans-118.3110.9177.6-158.5-6.6000109.4K177 D182 N183 Y243K177-D180 VanDerWaalsContact CE-CG 3.46Å; K177-D180 WeakPolarHBondContact CE-OD1 2.89Å; K177-D180 IonicContact NZ-OD1 2.76Å; K177-D180 PolarHBondContact NZ-OD1 2.61Å; K177-D180 IonicContact NZ-OD2 3.16Å; K177-D180 PolarHBondContact NZ-OD2 2.92Å; D180-D182 PolarHBondContact O-N 2.92Å; D180-D182 PolarHBondContact OD1-N 2.71Å; D180-N183 HydrophobicContact CB-CB 4.48Å; D180-N183 WeakPolarHBondContact O-CB 3.35Å; D180-N183 PolarHBondContact O-ND2 3.3Å; D180-Y243 WeakPolarHBondContact CA-OH 2.85Å; D180-Y243 HydrophobicContact CB-CE2 3.75Å; D180-Y243 WeakPolarHBondContact CB-OH 3.49Å; D180-Y243 PolarHBondContact N-OH 3.48Å; D180-Y243 PolarHBondContact O-OH 2.84Å
181P95.6Very high95.9Very high99 Ų99103.9 Ų103.964%0.64352%0.517SS*.THydrogen-bonded Turntrans-59.6-32.9174.7-23.534.7000112.6N183P181-N183 VanDerWaalsContact C-N 3.29Å; P181-N183 PolarHBondContact O-N 3.03Å
182D95.6Very high96.1Very high151 Ų151102.7 Ų102.781%0.80751%0.511SS*.THydrogen-bonded Turntrans-94.248.7-176.5-58.2-46.2000111.5D180D180-D182 PolarHBondContact O-N 2.92Å; D180-D182 PolarHBondContact OD1-N 2.71Å
183N95.6Very high96.4Very high28 Ų2894.5 Ų94.515%0.1547%0.473CS..  trans-88.8158.7-178.271.784.8000112.2D180 P181 L185 Y243D180-N183 HydrophobicContact CB-CB 4.48Å; D180-N183 WeakPolarHBondContact O-CB 3.35Å; D180-N183 PolarHBondContact O-ND2 3.3Å; P181-N183 VanDerWaalsContact C-N 3.29Å; P181-N183 PolarHBondContact O-N 3.03Å; N183-L185 PolarHBondContact O-N 2.85Å; N183-L185 VanDerWaalsContact OD1-CB 3.31Å; N183-L185 WeakPolarHBondContact OD1-CB 3.2Å; N183-L185 PolarHBondContact OD1-N 3.14Å; N183-L185 VanDerWaalsContact OD1-N 3.08Å; N183-L185 PolarHBondContact OD1-O 3.06Å; N183-Y243 HydrophobicContact CB-CD1 3.58Å; N183-Y243 HydrophobicContact CB-CD2 3.84Å; N183-Y243 HydrophobicContact CB-CE1 3.43Å; N183-Y243 VanDerWaalsContact CB-CE1 3.43Å; N183-Y243 HydrophobicContact CB-CE2 3.73Å; N183-Y243 HydrophobicContact CB-CG 3.77Å
184P97Very high96.6Very high104 Ų10487 Ų8768%0.67544%0.441SS*.SBendtrans-76.6-2-175.331.8-37.2000114.3
185L97.3Very high96.7Very high23 Ų2385.5 Ų85.512%0.1244%0.438CS..SBendtrans-90.7144.3-177.5-56.2176.9000110.8N183 Q189 I190 L238 Y243 L245N183-L185 PolarHBondContact O-N 2.85Å; N183-L185 VanDerWaalsContact OD1-CB 3.31Å; N183-L185 WeakPolarHBondContact OD1-CB 3.2Å; N183-L185 PolarHBondContact OD1-N 3.14Å; N183-L185 VanDerWaalsContact OD1-N 3.08Å; N183-L185 PolarHBondContact OD1-O 3.06Å; L185-Q189 HydrophobicContact CB-CB 4.38Å; L185-I190 HydrophobicContact CB-CD1 4.25Å; L185-I190 HydrophobicContact CB-CG1 3.89Å; L185-I190 HydrophobicContact CD1-CG1 4.2Å; L185-L238 HydrophobicContact CD1-CD1 4.39Å; L185-L238 HydrophobicContact CD1-CD2 4.07Å; L185-Y243 HydrophobicContact CD1-CD1 3.93Å; L185-Y243 HydrophobicContact CG-CD1 4.39Å; L185-L245 HydrophobicContact CD1-CD2 3.95Å; L185-L245 HydrophobicContact CD1-CG 4.44Å; L185-L245 HydrophobicContact CD2-CD1 4.12Å; L185-L245 HydrophobicContact CD2-CD2 4.3Å; L185-L245 HydrophobicContact CD2-CG 3.94Å
186T97.6Very high96.8Very high78 Ų7881.7 Ų81.748%0.47942%0.424SS..  trans-77.5152.6167.460.80000110.6R188 Q189 I190T186-R188 PolarHBondContact O-N 2.87Å; T186-R188 VanDerWaalsContact O-N 3.1Å; T186-Q189 WeakPolarHBondContact O-CB 3.47Å; T186-Q189 PolarHBondContact O-N 3.44Å; T186-Q189 WeakPolarHBondContact OG1-CG 3.37Å; T186-Q189 PolarHBondContact OG1-N 2.83Å; T186-Q189 PolarHBondContact OG1-OE1 3.36Å; T186-I190 PolarHBondContact O-N 2.68Å; T186-I190 VanDerWaalsContact O-N 3.09Å
187D97.2Very high97Very high128 Ų12874.3 Ų74.368%0.68439%0.388SS*.Hα-helixtrans-50.5-39174.3-68.4-11000112Q189 I190 D191D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 3.07Å; D187-I190 PolarHBondContact O-N 3.48Å; D187-D191 WeakPolarHBondContact O-CB 3.3Å; D187-D191 PolarHBondContact O-N 3.01Å
188R97.9Very high97.2Very high186 Ų18672.8 Ų72.870%0.70238%0.379SS*.Hα-helixtrans-61.1-39.5176.4-176.1177.3174.71690.8112.9T186 Q192T186-R188 PolarHBondContact O-N 2.87Å; T186-R188 VanDerWaalsContact O-N 3.1Å; R188-Q192 WeakPolarHBondContact O-CB 3.46Å; R188-Q192 WeakPolarHBondContact O-CG 3.35Å; R188-Q192 PolarHBondContact O-N 3.11Å
189Q97.9Very high97.2Very high67 Ų6771.5 Ų71.531%0.31338%0.377SS..Hα-helixtrans-70.5-38.5177.4-74.9166.7-57.100111.4L185 T186 D187 Q192 F193 L245L185-Q189 HydrophobicContact CB-CB 4.38Å; T186-Q189 WeakPolarHBondContact O-CB 3.47Å; T186-Q189 PolarHBondContact O-N 3.44Å; T186-Q189 WeakPolarHBondContact OG1-CG 3.37Å; T186-Q189 PolarHBondContact OG1-N 2.83Å; T186-Q189 PolarHBondContact OG1-OE1 3.36Å; D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 3.07Å; Q189-Q192 PolarHBondContact O-N 3.3Å; Q189-F193 WeakPolarHBondContact O-CB 3.45Å; Q189-F193 PolarHBondContact O-N 3.19Å; Q189-L245 HydrophobicContact CB-CD1 4.27Å; Q189-L245 HydrophobicContact CG-CD1 4.39Å
190I97.9Very high97.2Very high13 Ų1369 Ų697%0.06737%0.37CS..Hα-helixtrans-63.2-49.3175.5-62167.1000109.5W179 L185 T186 D187 Q192 F193 L194 M235 L238W179-I190 HydrophobicContact CH2-CD1 4.03Å; W179-I190 HydrophobicContact CH2-CG1 4.42Å; W179-I190 HydrophobicContact CH2-CG2 4.38Å; W179-I190 HydrophobicContact CZ2-CD1 3.94Å; L185-I190 HydrophobicContact CB-CD1 4.25Å; L185-I190 HydrophobicContact CB-CG1 3.89Å; L185-I190 HydrophobicContact CD1-CG1 4.2Å; T186-I190 PolarHBondContact O-N 2.68Å; T186-I190 VanDerWaalsContact O-N 3.09Å; D187-I190 PolarHBondContact O-N 3.48Å; I190-Q192 VanDerWaalsContact C-N 3.33Å; I190-Q192 PolarHBondContact O-N 3.25Å; I190-F193 WeakPolarHBondContact O-CB 3.19Å; I190-F193 PolarHBondContact O-N 2.76Å; I190-F193 VanDerWaalsContact O-N 3.07Å; I190-L194 HydrophobicContact CG2-CD1 4.36Å; I190-L194 HydrophobicContact CG2-CG 4.45Å; I190-L194 WeakPolarHBondContact O-CG 3.41Å; I190-L194 PolarHBondContact O-N 3.03Å; I190-M235 HydrophobicContact CG2-CE 4.2Å; I190-M235 HydrophobicContact CG2-SD 3.82Å; I190-L238 HydrophobicContact CG2-CD1 4.39Å
191D97.8Very high97.1Very high101 Ų10167.2 Ų67.254%0.5436%0.361SS..Hα-helixtrans-57.9-43.9177-79.1-18.9000112.3D187 F193 L194 V195D187-D191 WeakPolarHBondContact O-CB 3.3Å; D187-D191 PolarHBondContact O-N 3.01Å; D191-F193 VanDerWaalsContact C-N 3.34Å; D191-F193 PolarHBondContact O-N 2.7Å; D191-L194 PolarHBondContact O-N 3.4Å; D191-V195 WeakPolarHBondContact O-CG2 3.38Å; D191-V195 PolarHBondContact O-N 3.34Å
192Q97.9Very high97Very high101 Ų10163.8 Ų63.847%0.47234%0.338SS..Hα-helixtrans-60.9-43.2175-76.9174-12.200111.6R188 Q189 I190 V195 V196R188-Q192 WeakPolarHBondContact O-CB 3.46Å; R188-Q192 WeakPolarHBondContact O-CG 3.35Å; R188-Q192 PolarHBondContact O-N 3.11Å; Q189-Q192 PolarHBondContact O-N 3.3Å; I190-Q192 VanDerWaalsContact C-N 3.33Å; I190-Q192 PolarHBondContact O-N 3.25Å; Q192-V195 WeakPolarHBondContact O-CB 3.32Å; Q192-V195 PolarHBondContact O-N 3.23Å; Q192-V196 WeakPolarHBondContact O-CG2 3.14Å; Q192-V196 PolarHBondContact O-N 3.04Å
193F98.2Very high96.9Very high7 Ų762.4 Ų62.43%0.03133%0.325CS..Hα-helixtrans-63.4-40.8176-174.2-96.7000112.1Q189 I190 D191 V195 V196 A197 A234 T237 L238 L245 A248 M249 L252Q189-F193 WeakPolarHBondContact O-CB 3.45Å; Q189-F193 PolarHBondContact O-N 3.19Å; I190-F193 WeakPolarHBondContact O-CB 3.19Å; I190-F193 PolarHBondContact O-N 2.76Å; I190-F193 VanDerWaalsContact O-N 3.07Å; D191-F193 VanDerWaalsContact C-N 3.34Å; D191-F193 PolarHBondContact O-N 2.7Å; F193-V195 VanDerWaalsContact C-N 3.32Å; F193-V195 PolarHBondContact O-N 3.43Å; F193-V196 WeakPolarHBondContact O-CB 3.45Å; F193-V196 PolarHBondContact O-N 3.46Å; F193-A197 PolarHBondContact O-N 3.21Å; F193-A234 HydrophobicContact CD1-CB 4.33Å; F193-A234 HydrophobicContact CE1-CB 3.99Å; F193-A234 WeakPolarHBondContact CE1-O 3.42Å; F193-T237 HydrophobicContact CZ-CG2 4.38Å; F193-L238 HydrophobicContact CD1-CD1 3.66Å; F193-L238 HydrophobicContact CD1-CD2 3.69Å; F193-L238 HydrophobicContact CD1-CG 3.58Å; F193-L238 HydrophobicContact CD2-CD2 4.02Å; F193-L238 HydrophobicContact CE1-CD1 4.17Å; F193-L238 HydrophobicContact CE1-CD2 3.79Å; F193-L238 HydrophobicContact CE1-CG 3.61Å; F193-L238 HydrophobicContact CE2-CD2 4.11Å; F193-L238 HydrophobicContact CG-CD1 4.23Å; F193-L238 HydrophobicContact CG-CD2 3.81Å; F193-L238 HydrophobicContact CG-CG 4.2Å; F193-L238 HydrophobicContact CZ-CD2 4Å; F193-L238 HydrophobicContact CZ-CG 4.24Å; F193-L245 HydrophobicContact CB-CD2 4.12Å; F193-L245 HydrophobicContact CD2-CD2 3.99Å; F193-L245 HydrophobicContact CG-CD2 4.27Å; F193-A248 HydrophobicContact CE2-CB 3.62Å; F193-A248 HydrophobicContact CZ-CB 3.62Å; F193-M249 HydrophobicContact CD2-CG 4.26Å; F193-M249 HydrophobicContact CE2-CG 3.92Å; F193-L252 HydrophobicContact CE1-CD1 4.15Å; F193-L252 HydrophobicContact CE2-CD1 3.89Å; F193-L252 HydrophobicContact CZ-CD1 3.51Å; F193-L252 HydrophobicContact CZ-CG 4.11Å
194L98.1Very high96.7Very high25 Ų2561.4 Ų61.413%0.13132%0.32CS..Hα-helixtrans-63.7-36174.8-66-178.7000112.3I190 D191 R198 L231 A234 M235I190-L194 HydrophobicContact CG2-CD1 4.36Å; I190-L194 HydrophobicContact CG2-CG 4.45Å; I190-L194 WeakPolarHBondContact O-CG 3.41Å; I190-L194 PolarHBondContact O-N 3.03Å; D191-L194 PolarHBondContact O-N 3.4Å; L194-R198 WeakPolarHBondContact O-CG 3.5Å; L194-R198 PolarHBondContact O-N 3.1Å; L194-R198 VanDerWaalsContact O-N 3.11Å; L194-L231 HydrophobicContact CB-CD2 4.28Å; L194-L231 HydrophobicContact CD2-CD2 4.22Å; L194-A234 HydrophobicContact CD2-CB 3.64Å; L194-M235 HydrophobicContact CD1-SD 4.27Å; L194-M235 HydrophobicContact CD2-CG 4.17Å; L194-M235 HydrophobicContact CD2-SD 3.89Å; L194-M235 HydrophobicContact CG-SD 4.4Å
195V98Very high96.4Very high77 Ų7757 Ų5747%0.46729%0.29SS..Hα-helixtrans-63.7-44.9171.7172.40000110.9D191 Q192 F193 R198 A199D191-V195 WeakPolarHBondContact O-CG2 3.38Å; D191-V195 PolarHBondContact O-N 3.34Å; Q192-V195 WeakPolarHBondContact O-CB 3.32Å; Q192-V195 PolarHBondContact O-N 3.23Å; F193-V195 VanDerWaalsContact C-N 3.32Å; F193-V195 PolarHBondContact O-N 3.43Å; V195-R198 PolarHBondContact O-N 3.05Å; V195-A199 PolarHBondContact O-N 3.36Å
196V97.3Very high95.9Very high52 Ų5259.1 Ų59.132%0.31531%0.311SS..Hα-helixtrans-61.2-46.2176.81720000111Q192 F193 R198 A199 V200 M249Q192-V196 WeakPolarHBondContact O-CG2 3.14Å; Q192-V196 PolarHBondContact O-N 3.04Å; F193-V196 WeakPolarHBondContact O-CB 3.45Å; F193-V196 PolarHBondContact O-N 3.46Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 3.07Å; V196-A199 WeakPolarHBondContact O-CB 3.28Å; V196-A199 PolarHBondContact O-N 2.9Å; V196-A199 VanDerWaalsContact O-N 3.1Å; V196-V200 HydrophobicContact CG1-CG2 4.32Å; V196-V200 WeakPolarHBondContact O-CG2 3.4Å; V196-V200 PolarHBondContact O-N 3.24Å; V196-M249 HydrophobicContact CG1-CE 4.25Å
197A97.8Very high95.3Very high4 Ų460.1 Ų60.13%0.03331%0.313CS..Hα-helixtrans-59.2-40.517800000112.4F193 V200 G201 A234 L252F193-A197 PolarHBondContact O-N 3.21Å; A197-V200 PolarHBondContact O-N 3.08Å; A197-G201 PolarHBondContact O-N 3.46Å; A197-A234 HydrophobicContact CB-CB 3.57Å; A197-L252 HydrophobicContact CB-CD1 3.95Å
198R97.2Very high94.5Very high89 Ų8955.5 Ų55.534%0.33629%0.288SS..Hα-helixtrans-65.5-39.8173.7-71.3-172.9-73.9160.6-7.6112.7L194 V195 V196 G201 T202 A225 S226 L231L194-R198 WeakPolarHBondContact O-CG 3.5Å; L194-R198 PolarHBondContact O-N 3.1Å; L194-R198 VanDerWaalsContact O-N 3.11Å; V195-R198 PolarHBondContact O-N 3.05Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 3.07Å; R198-G201 PolarHBondContact O-N 3.22Å; R198-T202 WeakPolarHBondContact O-CB 3.29Å; R198-T202 PolarHBondContact O-N 3.14Å; R198-T202 PolarHBondContact O-OG1 3Å; R198-A225 WeakPolarHBondContact O-CB 3.36Å; R198-S226 WeakPolarHBondContact CD-OG 3.46Å; R198-L231 HydrophobicContact CG-CD2 4.07Å
199A96.6Very high92.9Very high57 Ų5752.7 Ų52.747%0.47130%0.296SS..Hα-helixtrans-64.1-4517600000111.4V195 V196 G201 T202 F203V195-A199 PolarHBondContact O-N 3.36Å; V196-A199 WeakPolarHBondContact O-CB 3.28Å; V196-A199 PolarHBondContact O-N 2.9Å; V196-A199 VanDerWaalsContact O-N 3.1Å; A199-G201 PolarHBondContact O-N 3.47Å; A199-T202 PolarHBondContact O-N 3.2Å; A199-F203 PolarHBondContact O-N 2.96Å
200V96.1Very high91.3Very high20 Ų2053.7 Ų53.712%0.12131%0.31CS..Hα-helixtrans-58.6-47.5173.61730000110.6V196 A197 T202 F203 A204 L252 V253 P258V196-V200 HydrophobicContact CG1-CG2 4.32Å; V196-V200 WeakPolarHBondContact O-CG2 3.4Å; V196-V200 PolarHBondContact O-N 3.24Å; A197-V200 PolarHBondContact O-N 3.08Å; V200-T202 VanDerWaalsContact C-N 3.3Å; V200-T202 PolarHBondContact O-N 2.98Å; V200-F203 PolarHBondContact O-N 3.17Å; V200-A204 WeakPolarHBondContact O-CB 3.44Å; V200-A204 PolarHBondContact O-N 3.5Å; V200-L252 HydrophobicContact CG1-CB 4.41Å; V200-V253 HydrophobicContact CG1-CG2 4.01Å; V200-V253 HydrophobicContact CG2-CG2 3.94Å; V200-P258 HydrophobicContact CG1-CB 3.58Å
201G94.5Very high89.4Confident2 Ų255 Ų552%0.02132%0.32CS..Hα-helixtrans-64-31.6177.800000113.9A197 R198 A199 R205A197-G201 PolarHBondContact O-N 3.46Å; R198-G201 PolarHBondContact O-N 3.22Å; A199-G201 PolarHBondContact O-N 3.47Å; G201-R205 WeakPolarHBondContact O-CG 3.4Å; G201-R205 PolarHBondContact O-N 3.43Å; G201-R205 PolarHBondContact O-NH1 2.94Å
202T93.8Very high87.2Confident27 Ų2754.3 Ų54.317%0.16632%0.323CS..Hα-helixtrans-70.5-44.6174.5-55.60000110.5R198 A199 V200 R205 A206 L218 A222 A225R198-T202 WeakPolarHBondContact O-CB 3.29Å; R198-T202 PolarHBondContact O-N 3.14Å; R198-T202 PolarHBondContact O-OG1 3Å; A199-T202 PolarHBondContact O-N 3.2Å; V200-T202 VanDerWaalsContact C-N 3.3Å; V200-T202 PolarHBondContact O-N 2.98Å; T202-R205 PolarHBondContact O-N 3.49Å; T202-A206 PolarHBondContact O-N 2.89Å; T202-L218 HydrophobicContact CG2-CD1 4.39Å; T202-A222 HydrophobicContact CG2-CB 4.31Å; T202-A225 WeakPolarHBondContact OG1-CB 3.42Å
203F92.6Very high85.1Confident122 Ų12254.1 Ų54.154%0.53533%0.325SS..Hα-helixtrans-64.9-41.6176.9-176.8-114.5000112A199 V200 R205 A206 L207 P258A199-F203 PolarHBondContact O-N 2.96Å; V200-F203 PolarHBondContact O-N 3.17Å; F203-R205 VanDerWaalsContact C-N 3.31Å; F203-R205 PolarHBondContact O-N 3.03Å; F203-A206 WeakPolarHBondContact O-CB 3.41Å; F203-A206 PolarHBondContact O-N 2.99Å; F203-A206 VanDerWaalsContact O-N 3.08Å; F203-L207 HydrophobicContact CD1-CD1 4.03Å; F203-L207 HydrophobicContact CE1-CD1 3.5Å; F203-L207 VanDerWaalsContact CE1-CD1 3.5Å; F203-L207 HydrophobicContact CE1-CG 4.29Å; F203-L207 HydrophobicContact CE2-CD1 4.46Å; F203-L207 HydrophobicContact CE2-CD2 4.43Å; F203-L207 HydrophobicContact CE2-CG 4.45Å; F203-L207 HydrophobicContact CZ-CD1 3.75Å; F203-L207 HydrophobicContact CZ-CD2 4.23Å; F203-L207 HydrophobicContact CZ-CG 4.18Å; F203-L207 PolarHBondContact O-N 3.3Å; F203-P258 HydrophobicContact CD1-CG 3.99Å; F203-P258 HydrophobicContact CE1-CG 4.43Å
204A92.3Very high82.8Confident6 Ų665.3 Ų65.35%0.0537%0.367CS..Hα-helixtrans-57-42.6176.400000112.5V200 A206 L207 D208 P258 L260V200-A204 WeakPolarHBondContact O-CB 3.44Å; V200-A204 PolarHBondContact O-N 3.5Å; A204-A206 VanDerWaalsContact C-N 3.34Å; A204-A206 PolarHBondContact O-N 3.29Å; A204-L207 PolarHBondContact O-N 2.95Å; A204-D208 PolarHBondContact O-N 3.46Å; A204-D208 VanDerWaalsContact O-N 3.08Å; A204-P258 HydrophobicContact CB-CB 3.95Å; A204-P258 HydrophobicContact CB-CG 3.7Å; A204-L260 HydrophobicContact CB-CB 4.1Å; A204-L260 HydrophobicContact CB-CD1 4.13Å
205R89.9Confident80.8Confident12 Ų1272 Ų725%0.04540%0.398CS..Hα-helixtrans-66-34.3176.1-70.9170.9173.878.2-0.9113G201 T202 F203 L207 D208 L260 C261 E266G201-R205 WeakPolarHBondContact O-CG 3.4Å; G201-R205 PolarHBondContact O-N 3.43Å; G201-R205 PolarHBondContact O-NH1 2.94Å; T202-R205 PolarHBondContact O-N 3.49Å; F203-R205 VanDerWaalsContact C-N 3.31Å; F203-R205 PolarHBondContact O-N 3.03Å; R205-L207 PolarHBondContact O-N 3.37Å; R205-D208 PolarHBondContact O-N 3.16Å; R205-L260 HydrophobicContact CG-CD1 3.41Å; R205-L260 VanDerWaalsContact CG-CD1 3.41Å; R205-C261 PolarHBondContact NH2-O 3.13Å; R205-E266 IonicContact CZ-OE1 2.85Å; R205-E266 IonicContact CZ-OE2 3.28Å; R205-E266 IonicContact NE-OE1 2.76Å; R205-E266 PolarHBondContact NE-OE1 2.85Å; R205-E266 IonicContact NE-OE2 2.7Å; R205-E266 PolarHBondContact NE-OE2 3.31Å; R205-E266 IonicContact NH2-OE1 3.18Å; R205-E266 PolarHBondContact NH2-OE1 2.84Å; R205-E266 IonicContact NH2-OE2 2.83Å; R205-E266 PolarHBondContact NH2-OE2 3.02Å
206A87.3Confident79.2Confident67 Ų6770.4 Ų70.455%0.55439%0.388SS*.Hα-helixtrans-67.1-27.6175.900000112.4T202 F203 A204T202-A206 PolarHBondContact O-N 2.89Å; F203-A206 WeakPolarHBondContact O-CB 3.41Å; F203-A206 PolarHBondContact O-N 2.99Å; F203-A206 VanDerWaalsContact O-N 3.08Å; A204-A206 VanDerWaalsContact C-N 3.34Å; A204-A206 PolarHBondContact O-N 3.29Å
207L86.1Confident78.4Confident99 Ų9971.3 Ų71.352%0.51840%0.397SS..Hα-helixtrans-87.7-14.6174.7-59.9180000113.3F203 A204 R205 C209 P258F203-L207 HydrophobicContact CD1-CD1 4.03Å; F203-L207 HydrophobicContact CE1-CD1 3.5Å; F203-L207 VanDerWaalsContact CE1-CD1 3.5Å; F203-L207 HydrophobicContact CE1-CG 4.29Å; F203-L207 HydrophobicContact CE2-CD1 4.46Å; F203-L207 HydrophobicContact CE2-CD2 4.43Å; F203-L207 HydrophobicContact CE2-CG 4.45Å; F203-L207 HydrophobicContact CZ-CD1 3.75Å; F203-L207 HydrophobicContact CZ-CD2 4.23Å; F203-L207 HydrophobicContact CZ-CG 4.18Å; F203-L207 PolarHBondContact O-N 3.3Å; A204-L207 PolarHBondContact O-N 2.95Å; R205-L207 PolarHBondContact O-N 3.37Å; L207-C209 PolarHBondContact O-N 3.49Å; L207-C209 VanDerWaalsContact O-N 3.14Å; L207-P258 HydrophobicContact CD1-CG 4.14Å
208D78.7Confident77.9Confident32 Ų3277.9 Ų77.917%0.17143%0.431CS..  trans-83.588.4-176.9-1706.7000112.2A204 R205 S210 S211 L260 R262A204-D208 PolarHBondContact O-N 3.46Å; A204-D208 VanDerWaalsContact O-N 3.08Å; R205-D208 PolarHBondContact O-N 3.16Å; D208-S210 VanDerWaalsContact CG-OG 3.32Å; D208-S210 PolarHBondContact O-N 3.12Å; D208-S210 VanDerWaalsContact OD1-CB 3.26Å; D208-S210 WeakPolarHBondContact OD1-CB 3.08Å; D208-S210 PolarHBondContact OD1-N 3.39Å; D208-S210 PolarHBondContact OD1-OG 2.88Å; D208-S210 PolarHBondContact OD2-OG 2.94Å; D208-S211 PolarHBondContact O-OG 3.09Å; D208-S211 VanDerWaalsContact O-OG 3.07Å; D208-L260 HydrophobicContact CB-CD2 4.1Å; D208-L260 WeakPolarHBondContact OD2-CD2 3.42Å; D208-R262 IonicContact OD2-CZ 2.77Å; D208-R262 IonicContact OD2-NE 3.41Å; D208-R262 IonicContact OD2-NH2 2.68Å; D208-R262 PolarHBondContact OD2-NH2 3.37Å
209C66.1Low77.5Confident127 Ų12780.7 Ų80.786%0.85845%0.448SS*.THydrogen-bonded Turntrans-68.4-6.7174-63.60000114.1L207L207-C209 PolarHBondContact O-N 3.49Å; L207-C209 VanDerWaalsContact O-N 3.14Å
210S63Low77.1Confident88 Ų8883.1 Ų83.162%0.61545%0.45SS*.THydrogen-bonded Turntrans-84.1-12-179.778.10000113.6D208 S212D208-S210 VanDerWaalsContact CG-OG 3.32Å; D208-S210 PolarHBondContact O-N 3.12Å; D208-S210 VanDerWaalsContact OD1-CB 3.26Å; D208-S210 WeakPolarHBondContact OD1-CB 3.08Å; D208-S210 PolarHBondContact OD1-N 3.39Å; D208-S210 PolarHBondContact OD1-OG 2.88Å; D208-S210 PolarHBondContact OD2-OG 2.94Å; S210-S212 PolarHBondContact O-N 3.22Å
211S59Low76.8Confident40 Ų4082.6 Ų82.628%0.2845%0.448SS..  trans-66.5119.2179.759.70000110.9D208 I213D208-S211 PolarHBondContact O-OG 3.09Å; D208-S211 VanDerWaalsContact O-OG 3.07Å; S211-I213 PolarHBondContact O-N 3.31Å; S211-I213 VanDerWaalsContact O-N 3.14Å
212S50.5Low76.7Confident86 Ų8684.1 Ų84.160%0.60146%0.46SS*.SBendtrans-64.6-14.9179.463.20000113.5S210 R214S210-S212 PolarHBondContact O-N 3.22Å; S212-R214 PolarHBondContact O-N 2.72Å
213I54.6Low76.6Confident98 Ų9885 Ų8550%0.50347%0.47SS..SBendtrans-81.299.1169.9-61.1167.1000106.4S211 Q215 P216S211-I213 PolarHBondContact O-N 3.31Å; S211-I213 VanDerWaalsContact O-N 3.14Å; I213-Q215 PolarHBondContact O-N 2.69Å; I213-P216 HydrophobicContact CG2-CB 4.21Å; I213-P216 HydrophobicContact CG2-CG 4.4Å; I213-P216 WeakPolarHBondContact O-CD 3.22Å
214R50.1Low76.6Confident242 Ų24280 Ų8091%0.91345%0.451SS*.SBendtrans-49.4105.2173.3-74.2-178.7179.6-171.8-0.5109.3S212S212-R214 PolarHBondContact O-N 2.72Å
215Q54.6Low76.7Confident166 Ų16679.7 Ų79.778%0.77645%0.449SS*.SBendtrans44.979.9172.5-65.1-90.3-4800113I213 S217I213-Q215 PolarHBondContact O-N 2.69Å; Q215-S217 PolarHBondContact O-N 2.81Å
216P65.9Low77Confident42 Ų4281.3 Ų81.327%0.27346%0.462SS..  trans-54.7133.3171.213.8-15.4000108.6I213 M220 S221I213-P216 HydrophobicContact CG2-CB 4.21Å; I213-P216 HydrophobicContact CG2-CG 4.4Å; I213-P216 WeakPolarHBondContact O-CD 3.22Å; P216-M220 HydrophobicContact CB-CB 4.04Å; P216-S221 WeakPolarHBondContact CB-OG 3.33Å; P216-S221 WeakPolarHBondContact CG-OG 3.44Å; P216-S221 PolarHBondContact O-OG 2.86Å
217S79.7Confident77.4Confident72 Ų7281 Ų8150%0.50345%0.446SS..  trans-53.4152.2177.967.70000109.8Q215 H219 M220 S221Q215-S217 PolarHBondContact O-N 2.81Å; S217-H219 PolarHBondContact O-N 3.24Å; S217-M220 WeakPolarHBondContact O-CA 3.35Å; S217-M220 WeakPolarHBondContact O-CB 3.48Å; S217-M220 PolarHBondContact O-N 3.1Å; S217-M220 WeakPolarHBondContact OG-CG 3.43Å; S217-S221 PolarHBondContact O-N 3.39Å
218L87.5Confident78Confident142 Ų14280.9 Ų80.974%0.74345%0.446SS*.Hα-helixtrans-48.2-42.6-177.6177.762.3000112.4T202 S221 A222T202-L218 HydrophobicContact CG2-CD1 4.39Å; L218-S221 PolarHBondContact O-N 2.77Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 2.85Å
219H88.7Confident78.8Confident148 Ų14882 Ų8269%0.68545%0.452SS*.Hα-helixtrans-63-41.2176.9-175.8-84.2000112.9S217 A222 A223S217-H219 PolarHBondContact O-N 3.24Å; H219-A222 PolarHBondContact O-N 2.81Å; H219-A223 VanDerWaalsContact O-CB 3.32Å; H219-A223 WeakPolarHBondContact O-CB 3.37Å; H219-A223 PolarHBondContact O-N 2.97Å
220M87.7Confident80.3Confident107 Ų10776.3 Ų76.353%0.52741%0.413SS..Hα-helixtrans-66.8-42.2177.4-72.9-55.2-43.100112.2P216 S217 A223 A224P216-M220 HydrophobicContact CB-CB 4.04Å; S217-M220 WeakPolarHBondContact O-CA 3.35Å; S217-M220 WeakPolarHBondContact O-CB 3.48Å; S217-M220 PolarHBondContact O-N 3.1Å; S217-M220 WeakPolarHBondContact OG-CG 3.43Å; M220-A223 PolarHBondContact O-N 2.68Å; M220-A224 WeakPolarHBondContact O-CB 3.48Å; M220-A224 PolarHBondContact O-N 3.49Å
221S89.9Confident82Confident10 Ų1074.3 Ų74.37%0.0740%0.395CS..Hα-helixtrans-64.4-41.8176.4-61.90000111.9P216 S217 L218 A224 A225P216-S221 WeakPolarHBondContact CB-OG 3.33Å; P216-S221 WeakPolarHBondContact CG-OG 3.44Å; P216-S221 PolarHBondContact O-OG 2.86Å; S217-S221 PolarHBondContact O-N 3.39Å; L218-S221 PolarHBondContact O-N 2.77Å; S221-A224 PolarHBondContact O-N 3.1Å; S221-A225 WeakPolarHBondContact O-CB 3.32Å; S221-A225 PolarHBondContact O-N 3.45Å
222A92.6Very high83.8Confident34 Ų3479.7 Ų79.728%0.28141%0.414SS..Hα-helixtrans-65.6-40.2175.400000112.2T202 L218 H219 S226T202-A222 HydrophobicContact CG2-CB 4.31Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 2.85Å; H219-A222 PolarHBondContact O-N 2.81Å; A222-S226 WeakPolarHBondContact O-CB 3.13Å; A222-S226 PolarHBondContact O-N 2.83Å; A222-S226 PolarHBondContact O-OG 3.3Å
223A92.6Very high86.1Confident45 Ų4578 Ų7837%0.37240%0.397SS..Hα-helixtrans-64.8-42.3174.900000111.8H219 M220 S226 R227H219-A223 VanDerWaalsContact O-CB 3.32Å; H219-A223 WeakPolarHBondContact O-CB 3.37Å; H219-A223 PolarHBondContact O-N 2.97Å; M220-A223 PolarHBondContact O-N 2.68Å; A223-S226 PolarHBondContact O-N 2.95Å; A223-S226 VanDerWaalsContact O-N 3.15Å; A223-R227 PolarHBondContact O-N 3.41Å
224A91.6Very high88.1Confident17 Ų1773.4 Ų73.414%0.1437%0.373CS..Hα-helixtrans-62.4-46176.100000112M220 S221 S226 R227M220-A224 WeakPolarHBondContact O-CB 3.48Å; M220-A224 PolarHBondContact O-N 3.49Å; S221-A224 PolarHBondContact O-N 3.1Å; A224-S226 PolarHBondContact O-N 3.06Å; A224-R227 WeakPolarHBondContact O-CB 3.1Å; A224-R227 VanDerWaalsContact O-CG 3.32Å; A224-R227 WeakPolarHBondContact O-CG 3.39Å; A224-R227 PolarHBondContact O-N 3.47Å
225A94.7Very high90.4Very high0 Ų064.3 Ų64.30%034%0.341CS..Hα-helixtrans-66.2-19.5174.600000113.6R198 T202 S221 R227 T230R198-A225 WeakPolarHBondContact O-CB 3.36Å; T202-A225 WeakPolarHBondContact OG1-CB 3.42Å; S221-A225 WeakPolarHBondContact O-CB 3.32Å; S221-A225 PolarHBondContact O-N 3.45Å; A225-R227 VanDerWaalsContact C-N 3.33Å; A225-T230 VanDerWaalsContact O-CB 3.24Å; A225-T230 WeakPolarHBondContact O-CB 3.3Å; A225-T230 WeakPolarHBondContact O-CG2 3.41Å; A225-T230 PolarHBondContact O-OG1 3.46Å
226S96.7Very high92.4Very high45 Ų4557.9 Ų57.932%0.31531%0.312SS..THydrogen-bonded Turntrans-86.51.2176.8-60.10000113.9R198 A222 A223 A224R198-S226 WeakPolarHBondContact CD-OG 3.46Å; A222-S226 WeakPolarHBondContact O-CB 3.13Å; A222-S226 PolarHBondContact O-N 2.83Å; A222-S226 PolarHBondContact O-OG 3.3Å; A223-S226 PolarHBondContact O-N 2.95Å; A223-S226 VanDerWaalsContact O-N 3.15Å; A224-S226 PolarHBondContact O-N 3.06Å
227R95.8Very high93.9Very high61 Ų6156 Ų5623%0.2330%0.3CS..SBendtrans-72.3155.2178.5-65.7173.165.779.82111.4A223 A224 A225 I229 T230 L231 D263 M309A223-R227 PolarHBondContact O-N 3.41Å; A224-R227 WeakPolarHBondContact O-CB 3.1Å; A224-R227 VanDerWaalsContact O-CG 3.32Å; A224-R227 WeakPolarHBondContact O-CG 3.39Å; A224-R227 PolarHBondContact O-N 3.47Å; A225-R227 VanDerWaalsContact C-N 3.33Å; R227-I229 PolarHBondContact O-N 3.11Å; R227-T230 PolarHBondContact O-N 3.04Å; R227-L231 PolarHBondContact O-N 3.03Å; R227-D263 IonicContact CZ-OD1 2.69Å; R227-D263 IonicContact CZ-OD2 3.44Å; R227-D263 IonicContact NE-OD1 2.66Å; R227-D263 PolarHBondContact NE-OD1 3.19Å; R227-D263 IonicContact NE-OD2 2.85Å; R227-D263 PolarHBondContact NE-OD2 2.89Å; R227-D263 IonicContact NH2-OD1 3.65Å; R227-D263 PolarHBondContact NH2-OD1 3.11Å; R227-D263 IonicContact NH2-OD2 3.86Å; R227-D263 PolarHBondContact NH2-OD2 2.8Å; R227-M309 PolarHBondContact NH2-SD 3.15Å
228D97.4Very high94.8Very high96 Ų9652.6 Ų52.651%0.51328%0.276SS..Hα-helixtrans-56.5-31.3-172-60.4-30.8000113.9T230 L231 F232D228-T230 VanDerWaalsContact C-N 3.25Å; D228-T230 PolarHBondContact O-N 3.28Å; D228-L231 PolarHBondContact O-N 3.17Å; D228-L231 VanDerWaalsContact O-N 3.1Å; D228-F232 HydrophobicContact CB-CD2 3.99Å; D228-F232 HydrophobicContact CB-CE2 3.91Å; D228-F232 WeakPolarHBondContact O-CB 3.3Å; D228-F232 WeakPolarHBondContact O-CD2 3.44Å; D228-F232 PolarHBondContact O-N 3.2Å
229I97.1Very high95.2Very high56 Ų5647.7 Ų47.729%0.28725%0.249SC..Hα-helixtrans-59.1-37.4177.7-167.8169.6000112.5R227 H233 C261 R262 D263R227-I229 PolarHBondContact O-N 3.11Å; I229-H233 VanDerWaalsContact O-CB 3.28Å; I229-H233 WeakPolarHBondContact O-CB 3.34Å; I229-H233 PolarHBondContact O-N 3.29Å; I229-C261 HydrophobicContact CG1-CB 4.43Å; I229-C261 HydrophobicContact CG2-CB 4.42Å; I229-R262 WeakPolarHBondContact CD1-O 3.49Å; I229-D263 HydrophobicContact CB-CB 4.29Å; I229-D263 HydrophobicContact CD1-CB 3.96Å; I229-D263 HydrophobicContact CG2-CB 4.05Å
230T97.2Very high95.6Very high7 Ų748.5 Ų48.54%0.04325%0.247CC..Hα-helixtrans-71.9-38.7175.9-590000110.9A225 R227 D228 H233 A234A225-T230 VanDerWaalsContact O-CB 3.24Å; A225-T230 WeakPolarHBondContact O-CB 3.3Å; A225-T230 WeakPolarHBondContact O-CG2 3.41Å; A225-T230 PolarHBondContact O-OG1 3.46Å; R227-T230 PolarHBondContact O-N 3.04Å; D228-T230 VanDerWaalsContact C-N 3.25Å; D228-T230 PolarHBondContact O-N 3.28Å; T230-H233 PolarHBondContact O-N 3.41Å; T230-A234 WeakPolarHBondContact O-CB 3.5Å; T230-A234 PolarHBondContact O-N 2.8Å
231L97.8Very high96Very high46 Ų4644.5 Ų44.524%0.24123%0.227CC..Hα-helixtrans-67-46.7177.6-58.8179.5000111.8L194 R198 R227 D228 H233 A234 M235L194-L231 HydrophobicContact CB-CD2 4.28Å; L194-L231 HydrophobicContact CD2-CD2 4.22Å; R198-L231 HydrophobicContact CG-CD2 4.07Å; R227-L231 PolarHBondContact O-N 3.03Å; D228-L231 PolarHBondContact O-N 3.17Å; D228-L231 VanDerWaalsContact O-N 3.1Å; L231-H233 VanDerWaalsContact C-N 3.32Å; L231-H233 PolarHBondContact O-N 3.1Å; L231-A234 WeakPolarHBondContact O-CB 3.36Å; L231-A234 PolarHBondContact O-N 2.89Å; L231-A234 VanDerWaalsContact O-N 3.12Å; L231-M235 WeakPolarHBondContact O-CG 3.43Å; L231-M235 PolarHBondContact O-N 3.39Å
232F97.8Very high96.3Very high153 Ų15346.7 Ų46.767%0.67125%0.251SS*.Hα-helixtrans-60-43174.9-79.6-59.1000111.6D228 A234 M235 D236D228-F232 HydrophobicContact CB-CD2 3.99Å; D228-F232 HydrophobicContact CB-CE2 3.91Å; D228-F232 WeakPolarHBondContact O-CB 3.3Å; D228-F232 WeakPolarHBondContact O-CD2 3.44Å; D228-F232 PolarHBondContact O-N 3.2Å; F232-A234 VanDerWaalsContact C-N 3.3Å; F232-A234 PolarHBondContact O-N 3.34Å; F232-M235 PolarHBondContact O-N 2.86Å; F232-D236 VanDerWaalsContact O-CB 3.23Å; F232-D236 WeakPolarHBondContact O-CB 3.4Å; F232-D236 PolarHBondContact O-N 2.92Å
233H97.6Very high96.6Very high52 Ų5246 Ų4624%0.24124%0.242CC..Hα-helixtrans-61.4-39.8174.8-17864.4000112.1I229 T230 L231 T237 C261I229-H233 VanDerWaalsContact O-CB 3.28Å; I229-H233 WeakPolarHBondContact O-CB 3.34Å; I229-H233 PolarHBondContact O-N 3.29Å; T230-H233 PolarHBondContact O-N 3.41Å; L231-H233 VanDerWaalsContact C-N 3.32Å; L231-H233 PolarHBondContact O-N 3.1Å; H233-T237 VanDerWaalsContact O-CB 3.31Å; H233-T237 WeakPolarHBondContact O-CB 3.3Å; H233-T237 PolarHBondContact O-N 2.89Å; H233-T237 PolarHBondContact O-OG1 3.46Å; H233-C261 PolarHBondContact CD2-SG 2.86Å; H233-C261 VanDerWaalsContact CG-SG 3.52Å
234A97.8Very high96.8Very high0 Ų047.8 Ų47.80%025%0.245CC..Hα-helixtrans-64.8-45.6176.700000112.1F193 L194 A197 T230 L231 F232 D236 T237 L238F193-A234 HydrophobicContact CD1-CB 4.33Å; F193-A234 HydrophobicContact CE1-CB 3.99Å; F193-A234 WeakPolarHBondContact CE1-O 3.42Å; L194-A234 HydrophobicContact CD2-CB 3.64Å; A197-A234 HydrophobicContact CB-CB 3.57Å; T230-A234 WeakPolarHBondContact O-CB 3.5Å; T230-A234 PolarHBondContact O-N 2.8Å; L231-A234 WeakPolarHBondContact O-CB 3.36Å; L231-A234 PolarHBondContact O-N 2.89Å; L231-A234 VanDerWaalsContact O-N 3.12Å; F232-A234 VanDerWaalsContact C-N 3.3Å; F232-A234 PolarHBondContact O-N 3.34Å; A234-D236 PolarHBondContact O-N 3.44Å; A234-T237 WeakPolarHBondContact O-CB 3.42Å; A234-T237 PolarHBondContact O-N 3.47Å; A234-T237 VanDerWaalsContact O-N 3.16Å; A234-L238 PolarHBondContact O-N 2.93Å
235M97.9Very high97Very high51 Ų5149.4 Ų49.425%0.25125%0.251SS..Hα-helixtrans-61.9-44.1177.3-63.9-63.4-83.100111.9W179 I190 L194 L231 F232 T237 L238 Q239W179-M235 HydrophobicContact CD2-CE 3.96Å; W179-M235 HydrophobicContact CE3-CB 4.1Å; W179-M235 HydrophobicContact CE3-CE 3.76Å; W179-M235 HydrophobicContact CH2-CE 3.24Å; W179-M235 HydrophobicContact CH2-SD 3.87Å; W179-M235 HydrophobicContact CZ2-CE 3.47Å; W179-M235 VanDerWaalsContact CZ2-CE 3.47Å; W179-M235 HydrophobicContact CZ3-CB 4.04Å; W179-M235 HydrophobicContact CZ3-CE 3.39Å; W179-M235 HydrophobicContact CZ3-SD 3.79Å; I190-M235 HydrophobicContact CG2-CE 4.2Å; I190-M235 HydrophobicContact CG2-SD 3.82Å; L194-M235 HydrophobicContact CD1-SD 4.27Å; L194-M235 HydrophobicContact CD2-CG 4.17Å; L194-M235 HydrophobicContact CD2-SD 3.89Å; L194-M235 HydrophobicContact CG-SD 4.4Å; L231-M235 WeakPolarHBondContact O-CG 3.43Å; L231-M235 PolarHBondContact O-N 3.39Å; F232-M235 PolarHBondContact O-N 2.86Å; M235-T237 VanDerWaalsContact C-N 3.3Å; M235-T237 PolarHBondContact O-N 3.48Å; M235-L238 WeakPolarHBondContact O-CB 3.4Å; M235-L238 PolarHBondContact O-N 3.17Å; M235-Q239 PolarHBondContact O-N 2.8Å; M235-Q239 VanDerWaalsContact O-N 3.09Å
236D97.5Very high97Very high31 Ų3152.4 Ų52.417%0.16628%0.276CS..Hα-helixtrans-63.4-36.4174.7178.137.7000111.8F232 A234 Q239 R240F232-D236 VanDerWaalsContact O-CB 3.23Å; F232-D236 WeakPolarHBondContact O-CB 3.4Å; F232-D236 PolarHBondContact O-N 2.92Å; A234-D236 PolarHBondContact O-N 3.44Å; D236-Q239 PolarHBondContact O-N 2.83Å; D236-R240 WeakPolarHBondContact O-CB 3.19Å; D236-R240 WeakPolarHBondContact O-CG 3.2Å; D236-R240 PolarHBondContact O-N 3.28Å; D236-R240 IonicContact OD1-CZ 3.44Å; D236-R240 IonicContact OD1-NE 2.7Å; D236-R240 PolarHBondContact OD1-NE 3.44Å; D236-R240 IonicContact OD1-NH1 2.79Å; D236-R240 IonicContact OD1-NH2 3.48Å; D236-R240 PolarHBondContact OD1-NH2 3.12Å; D236-R240 IonicContact OD2-CZ 2.7Å; D236-R240 IonicContact OD2-NE 2.68Å; D236-R240 IonicContact OD2-NH1 3.45Å; D236-R240 PolarHBondContact OD2-NH1 3Å; D236-R240 IonicContact OD2-NH2 2.69Å; D236-R240 PolarHBondContact OD2-NH2 3.35Å
237T97.4Very high97Very high4 Ų455.8 Ų55.83%0.02529%0.285CS..Hα-helixtrans-65-38.1174.6-60.30000112F193 H233 A234 M235 N241 A248 T251 L252F193-T237 HydrophobicContact CZ-CG2 4.38Å; H233-T237 VanDerWaalsContact O-CB 3.31Å; H233-T237 WeakPolarHBondContact O-CB 3.3Å; H233-T237 PolarHBondContact O-N 2.89Å; H233-T237 PolarHBondContact O-OG1 3.46Å; A234-T237 WeakPolarHBondContact O-CB 3.42Å; A234-T237 PolarHBondContact O-N 3.47Å; A234-T237 VanDerWaalsContact O-N 3.16Å; M235-T237 VanDerWaalsContact C-N 3.3Å; M235-T237 PolarHBondContact O-N 3.48Å; T237-N241 WeakPolarHBondContact O-CB 3.41Å; T237-N241 PolarHBondContact O-N 2.81Å; T237-N241 PolarHBondContact O-ND2 2.84Å; T237-A248 HydrophobicContact CG2-CB 4.18Å; T237-T251 HydrophobicContact CG2-CG2 3.96Å; T237-L252 HydrophobicContact CG2-CD2 4.39Å
238L97.7Very high97.1Very high0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-63.2-51.9172.8-71.3172.4000111.3W179 L185 I190 F193 A234 M235 R240 N241 G242 Y243 L245 A248W179-L238 HydrophobicContact CH2-CD1 4.21Å; W179-L238 HydrophobicContact CZ3-CB 4.13Å; W179-L238 HydrophobicContact CZ3-CD1 4.18Å; L185-L238 HydrophobicContact CD1-CD1 4.39Å; L185-L238 HydrophobicContact CD1-CD2 4.07Å; I190-L238 HydrophobicContact CG2-CD1 4.39Å; F193-L238 HydrophobicContact CD1-CD1 3.66Å; F193-L238 HydrophobicContact CD1-CD2 3.69Å; F193-L238 HydrophobicContact CD1-CG 3.58Å; F193-L238 HydrophobicContact CD2-CD2 4.02Å; F193-L238 HydrophobicContact CE1-CD1 4.17Å; F193-L238 HydrophobicContact CE1-CD2 3.79Å; F193-L238 HydrophobicContact CE1-CG 3.61Å; F193-L238 HydrophobicContact CE2-CD2 4.11Å; F193-L238 HydrophobicContact CG-CD1 4.23Å; F193-L238 HydrophobicContact CG-CD2 3.81Å; F193-L238 HydrophobicContact CG-CG 4.2Å; F193-L238 HydrophobicContact CZ-CD2 4Å; F193-L238 HydrophobicContact CZ-CG 4.24Å; A234-L238 PolarHBondContact O-N 2.93Å; M235-L238 WeakPolarHBondContact O-CB 3.4Å; M235-L238 PolarHBondContact O-N 3.17Å; L238-R240 PolarHBondContact O-N 3.14Å; L238-N241 CarbonylContact O-C 3.55Å; L238-N241 PolarHBondContact O-N 3.23Å; L238-G242 PolarHBondContact O-N 3.36Å; L238-Y243 HydrophobicContact CB-CD1 4.22Å; L238-Y243 HydrophobicContact CB-CE1 4.41Å; L238-Y243 PolarHBondContact O-N 2.86Å; L238-L245 HydrophobicContact CD2-CD2 3.82Å; L238-A248 HydrophobicContact CD2-CB 4Å
239Q96.9Very high97Very high38 Ų3852.7 Ų52.718%0.17827%0.271CS..Hα-helixtrans-56.9-48.8179.5171.772.120.300111.6V178 M235 D236 N241 G242 Y243V178-Q239 WeakPolarHBondContact O-CB 3.47Å; V178-Q239 VanDerWaalsContact O-CG 3.31Å; V178-Q239 WeakPolarHBondContact O-CG 3.22Å; M235-Q239 PolarHBondContact O-N 2.8Å; M235-Q239 VanDerWaalsContact O-N 3.09Å; D236-Q239 PolarHBondContact O-N 2.83Å; Q239-N241 PolarHBondContact O-N 3.05Å; Q239-G242 PolarHBondContact O-N 3.3Å; Q239-Y243 VanDerWaalsContact OE1-CZ 3.22Å; Q239-Y243 PolarHBondContact OE1-OH 3.47Å
240R96.3Very high96.8Very high166 Ų16654 Ų5463%0.62629%0.285SS*.Hα-helixtrans-65.2-26.5-178.4-74.4-171.4-173.8125.512.3113.6D236 L238 G242D236-R240 WeakPolarHBondContact O-CB 3.19Å; D236-R240 WeakPolarHBondContact O-CG 3.2Å; D236-R240 PolarHBondContact O-N 3.28Å; D236-R240 IonicContact OD1-CZ 3.44Å; D236-R240 IonicContact OD1-NE 2.7Å; D236-R240 PolarHBondContact OD1-NE 3.44Å; D236-R240 IonicContact OD1-NH1 2.79Å; D236-R240 IonicContact OD1-NH2 3.48Å; D236-R240 PolarHBondContact OD1-NH2 3.12Å; D236-R240 IonicContact OD2-CZ 2.7Å; D236-R240 IonicContact OD2-NE 2.68Å; D236-R240 IonicContact OD2-NH1 3.45Å; D236-R240 PolarHBondContact OD2-NH1 3Å; D236-R240 IonicContact OD2-NH2 2.69Å; D236-R240 PolarHBondContact OD2-NH2 3.35Å; L238-R240 PolarHBondContact O-N 3.14Å; R240-G242 VanDerWaalsContact C-N 3.32Å
241N96.9Very high96.8Very high23 Ų2356.5 Ų56.512%0.12330%0.301CS..THydrogen-bonded Turntrans-93.411.7176.4-73-67.6000113.1T237 L238 Q239 Y243 D244 K247 A248 T251T237-N241 WeakPolarHBondContact O-CB 3.41Å; T237-N241 PolarHBondContact O-N 2.81Å; T237-N241 PolarHBondContact O-ND2 2.84Å; L238-N241 CarbonylContact O-C 3.55Å; L238-N241 PolarHBondContact O-N 3.23Å; Q239-N241 PolarHBondContact O-N 3.05Å; N241-Y243 VanDerWaalsContact C-N 3.25Å; N241-Y243 PolarHBondContact O-N 2.53Å; N241-D244 PolarHBondContact O-N 3.33Å; N241-K247 HydrophobicContact CB-CB 4.38Å; N241-K247 HydrophobicContact CB-CD 4.21Å; N241-K247 HydrophobicContact CB-CG 4.33Å; N241-K247 WeakPolarHBondContact OD1-CD 3.2Å; N241-K247 WeakPolarHBondContact OD1-CE 3.37Å; N241-K247 WeakPolarHBondContact OD1-CG 3.21Å; N241-A248 HydrophobicContact CB-CB 4.16Å; N241-T251 PolarHBondContact ND2-OG1 2.94Å
242G95.9Very high96.7Very high56 Ų5654.6 Ų54.658%0.57729%0.291SS*.THydrogen-bonded Turntrans6431.8178.100000112.8L238 Q239 R240 D244L238-G242 PolarHBondContact O-N 3.36Å; Q239-G242 PolarHBondContact O-N 3.3Å; R240-G242 VanDerWaalsContact C-N 3.32Å; G242-D244 PolarHBondContact O-N 3.5Å
243Y97.5Very high96.5Very high20 Ų2051 Ų518%0.07828%0.281CS..THydrogen-bonded Turntrans64.215.2-178.7-58.2-83.2000115.5W179 D180 N183 L185 L238 Q239 N241 L245W179-Y243 HydrophobicContact CE3-CE1 4.1Å; W179-Y243 AromaticContact CH2-CE1 3.72Å; W179-Y243 HydrophobicContact CH2-CE1 3.72Å; W179-Y243 HydrophobicContact CZ2-CE1 4.16Å; W179-Y243 AromaticContact CZ3-CE1 3.69Å; W179-Y243 HydrophobicContact CZ3-CE1 3.69Å; D180-Y243 WeakPolarHBondContact CA-OH 2.85Å; D180-Y243 HydrophobicContact CB-CE2 3.75Å; D180-Y243 WeakPolarHBondContact CB-OH 3.49Å; D180-Y243 PolarHBondContact N-OH 3.48Å; D180-Y243 PolarHBondContact O-OH 2.84Å; N183-Y243 HydrophobicContact CB-CD1 3.58Å; N183-Y243 HydrophobicContact CB-CD2 3.84Å; N183-Y243 HydrophobicContact CB-CE1 3.43Å; N183-Y243 VanDerWaalsContact CB-CE1 3.43Å; N183-Y243 HydrophobicContact CB-CE2 3.73Å; N183-Y243 HydrophobicContact CB-CG 3.77Å; L185-Y243 HydrophobicContact CD1-CD1 3.93Å; L185-Y243 HydrophobicContact CG-CD1 4.39Å; L238-Y243 HydrophobicContact CB-CD1 4.22Å; L238-Y243 HydrophobicContact CB-CE1 4.41Å; L238-Y243 PolarHBondContact O-N 2.86Å; Q239-Y243 VanDerWaalsContact OE1-CZ 3.22Å; Q239-Y243 PolarHBondContact OE1-OH 3.47Å; N241-Y243 VanDerWaalsContact C-N 3.25Å; N241-Y243 PolarHBondContact O-N 2.53Å; Y243-L245 PolarHBondContact O-N 3.02Å
244D97.3Very high96.2Very high82 Ų8251.4 Ų51.444%0.43929%0.288SS..  trans-77.2108.1169.4-178.3-20.6000110.1N241 G242 A246 K247 A248N241-D244 PolarHBondContact O-N 3.33Å; G242-D244 PolarHBondContact O-N 3.5Å; D244-A246 VanDerWaalsContact C-N 3.34Å; D244-A246 PolarHBondContact O-N 3.3Å; D244-A246 PolarHBondContact OD1-N 2.96Å; D244-K247 HydrophobicContact CB-CB 3.95Å; D244-K247 PolarHBondContact O-N 3.14Å; D244-K247 PolarHBondContact OD1-N 3.15Å; D244-A248 VanDerWaalsContact O-CB 3.24Å; D244-A248 WeakPolarHBondContact O-CB 3.38Å; D244-A248 PolarHBondContact O-N 2.99Å
245L96.1Very high95.4Very high50 Ų5061.6 Ų61.626%0.26234%0.336SS..Hα-helixtrans-58.9-40.9-179.3-68.7175.3000112.8L185 Q189 F193 L238 Y243 A248 M249L185-L245 HydrophobicContact CD1-CD2 3.95Å; L185-L245 HydrophobicContact CD1-CG 4.44Å; L185-L245 HydrophobicContact CD2-CD1 4.12Å; L185-L245 HydrophobicContact CD2-CD2 4.3Å; L185-L245 HydrophobicContact CD2-CG 3.94Å; Q189-L245 HydrophobicContact CB-CD1 4.27Å; Q189-L245 HydrophobicContact CG-CD1 4.39Å; F193-L245 HydrophobicContact CB-CD2 4.12Å; F193-L245 HydrophobicContact CD2-CD2 3.99Å; F193-L245 HydrophobicContact CG-CD2 4.27Å; L238-L245 HydrophobicContact CD2-CD2 3.82Å; Y243-L245 PolarHBondContact O-N 3.02Å; L245-A248 PolarHBondContact O-N 2.94Å; L245-M249 WeakPolarHBondContact O-CB 3.42Å; L245-M249 VanDerWaalsContact O-CG 3.25Å; L245-M249 WeakPolarHBondContact O-CG 3.2Å; L245-M249 PolarHBondContact O-N 3.27Å
246A95.3Very high94.5Very high64 Ų6463.3 Ų63.353%0.52937%0.366SS..Hα-helixtrans-67.7-45.6-176.800000110.3D244 M249 S250D244-A246 VanDerWaalsContact C-N 3.34Å; D244-A246 PolarHBondContact O-N 3.3Å; D244-A246 PolarHBondContact OD1-N 2.96Å; A246-M249 PolarHBondContact O-N 3.12Å; A246-S250 PolarHBondContact O-N 3.31Å; A246-S250 VanDerWaalsContact O-N 3.07Å; A246-S250 PolarHBondContact O-OG 3.25Å
247K96.5Very high94Very high115 Ų11563.2 Ų63.250%0.537%0.373SS..Hα-helixtrans-65.1-40.1176.8-166-175.3176.1179.90112.2N241 D244 S250 T251N241-K247 HydrophobicContact CB-CB 4.38Å; N241-K247 HydrophobicContact CB-CD 4.21Å; N241-K247 HydrophobicContact CB-CG 4.33Å; N241-K247 WeakPolarHBondContact OD1-CD 3.2Å; N241-K247 WeakPolarHBondContact OD1-CE 3.37Å; N241-K247 WeakPolarHBondContact OD1-CG 3.21Å; D244-K247 HydrophobicContact CB-CB 3.95Å; D244-K247 PolarHBondContact O-N 3.14Å; D244-K247 PolarHBondContact OD1-N 3.15Å; K247-S250 PolarHBondContact O-N 3.48Å; K247-T251 PolarHBondContact O-N 3.21Å; K247-T251 VanDerWaalsContact O-N 3.15Å; K247-T251 PolarHBondContact O-OG1 3.22Å
248A96.9Very high93.8Very high0 Ų064.3 Ų64.30%038%0.38CS..Hα-helixtrans-63.3-41.5175.200000111.8F193 T237 L238 N241 D244 L245 T251 L252F193-A248 HydrophobicContact CE2-CB 3.62Å; F193-A248 HydrophobicContact CZ-CB 3.62Å; T237-A248 HydrophobicContact CG2-CB 4.18Å; L238-A248 HydrophobicContact CD2-CB 4Å; N241-A248 HydrophobicContact CB-CB 4.16Å; D244-A248 VanDerWaalsContact O-CB 3.24Å; D244-A248 WeakPolarHBondContact O-CB 3.38Å; D244-A248 PolarHBondContact O-N 2.99Å; L245-A248 PolarHBondContact O-N 2.94Å; A248-T251 WeakPolarHBondContact O-CB 3.4Å; A248-T251 PolarHBondContact O-N 2.79Å; A248-T251 VanDerWaalsContact O-N 3.1Å; A248-L252 PolarHBondContact O-N 3.04Å; A248-L252 VanDerWaalsContact O-N 3.17Å
249M95Very high93.6Very high93 Ų9366.3 Ų66.346%0.45839%0.392SS..Hα-helixtrans-63.2-42175.5-75.4-179.769.900112.5F193 V196 L245 A246 T251 L252 V253F193-M249 HydrophobicContact CD2-CG 4.26Å; F193-M249 HydrophobicContact CE2-CG 3.92Å; V196-M249 HydrophobicContact CG1-CE 4.25Å; L245-M249 WeakPolarHBondContact O-CB 3.42Å; L245-M249 VanDerWaalsContact O-CG 3.25Å; L245-M249 WeakPolarHBondContact O-CG 3.2Å; L245-M249 PolarHBondContact O-N 3.27Å; A246-M249 PolarHBondContact O-N 3.12Å; M249-T251 PolarHBondContact O-N 2.81Å; M249-L252 PolarHBondContact O-N 3.09Å; M249-L252 VanDerWaalsContact O-N 3.12Å; M249-V253 PolarHBondContact O-N 2.87Å
250S94.3Very high93.3Very high83 Ų8367 Ų6758%0.5840%0.397SS*.Hα-helixtrans-62.1-27.3173.8-57.20000112.8A246 K247 V253A246-S250 PolarHBondContact O-N 3.31Å; A246-S250 VanDerWaalsContact O-N 3.07Å; A246-S250 PolarHBondContact O-OG 3.25Å; K247-S250 PolarHBondContact O-N 3.48Å; S250-V253 CarbonylContact O-C 3.58Å
251T95.6Very high93.2Very high60 Ų6060 Ų6037%0.36837%0.373SS..Hα-helixtrans-75-31175.7-52.60000112.2T237 N241 K247 A248 M249 V253 P254T237-T251 HydrophobicContact CG2-CG2 3.96Å; N241-T251 PolarHBondContact ND2-OG1 2.94Å; K247-T251 PolarHBondContact O-N 3.21Å; K247-T251 VanDerWaalsContact O-N 3.15Å; K247-T251 PolarHBondContact O-OG1 3.22Å; A248-T251 WeakPolarHBondContact O-CB 3.4Å; A248-T251 PolarHBondContact O-N 2.79Å; A248-T251 VanDerWaalsContact O-N 3.1Å; M249-T251 PolarHBondContact O-N 2.81Å; T251-V253 VanDerWaalsContact C-N 3.33Å; T251-P254 WeakPolarHBondContact O-CD 3.5Å
252L95.7Very high93Very high6 Ų662.5 Ų62.53%0.03138%0.381CS..Hα-helixtrans-73.5-25.2176-67.9178.7000113F193 A197 V200 T237 A248 M249 P254 V259F193-L252 HydrophobicContact CE1-CD1 4.15Å; F193-L252 HydrophobicContact CE2-CD1 3.89Å; F193-L252 HydrophobicContact CZ-CD1 3.51Å; F193-L252 HydrophobicContact CZ-CG 4.11Å; A197-L252 HydrophobicContact CB-CD1 3.95Å; V200-L252 HydrophobicContact CG1-CB 4.41Å; T237-L252 HydrophobicContact CG2-CD2 4.39Å; A248-L252 PolarHBondContact O-N 3.04Å; A248-L252 VanDerWaalsContact O-N 3.17Å; M249-L252 PolarHBondContact O-N 3.09Å; M249-L252 VanDerWaalsContact O-N 3.12Å; L252-P254 VanDerWaalsContact C-CD 3.49Å; L252-V259 WeakPolarHBondContact O-CG2 3.32Å; L252-V259 PolarHBondContact O-N 3.27Å
253V94.1Very high92.9Very high78 Ų7860 Ų6047%0.47335%0.354SS..SBendtrans-129.571.3178.4-166.50000110.2V200 M249 S250 T251V200-V253 HydrophobicContact CG1-CG2 4.01Å; V200-V253 HydrophobicContact CG2-CG2 3.94Å; M249-V253 PolarHBondContact O-N 2.87Å; S250-V253 CarbonylContact O-C 3.58Å; T251-V253 VanDerWaalsContact C-N 3.33Å
254P91.4Very high92.8Very high59 Ų5960.6 Ų60.638%0.38336%0.358SS..  trans-64.7166.7173.827.4-33.7000111.2T251 L252 G256 G257 V259T251-P254 WeakPolarHBondContact O-CD 3.5Å; L252-P254 VanDerWaalsContact C-CD 3.49Å; P254-G256 PolarHBondContact O-N 2.89Å; P254-G257 WeakPolarHBondContact CD-O 3.35Å; P254-G257 WeakPolarHBondContact CG-O 3.12Å; P254-G257 PolarHBondContact O-N 3.21Å; P254-V259 HydrophobicContact CG-CG2 4.28Å
255Q81.7Confident92.6Very high214 Ų21459.3 Ų59.3100%135%0.35SS*.THydrogen-bonded Turntrans-57.5-19.4-176.4-65.6-177.7-2.500114.4
256G77.9Confident92.3Very high87 Ų8759 Ų5990%0.89735%0.347SS*.THydrogen-bonded Turntrans-86-0.5176.500000115.7P254P254-G256 PolarHBondContact O-N 2.89Å
257G87.6Confident92.1Very high30 Ų3060.8 Ų60.831%0.30935%0.345SS..  trans118.3171.6-177.900000113.5P254P254-G257 WeakPolarHBondContact CD-O 3.35Å; P254-G257 WeakPolarHBondContact CG-O 3.12Å; P254-G257 PolarHBondContact O-N 3.21Å
258P93.7Very high91.8Very high27 Ų2755.9 Ų55.918%0.17532%0.323CS..  trans-66.4145.7-177.530.6-38.1000112.4V200 F203 A204 L207V200-P258 HydrophobicContact CG1-CB 3.58Å; F203-P258 HydrophobicContact CD1-CG 3.99Å; F203-P258 HydrophobicContact CE1-CG 4.43Å; A204-P258 HydrophobicContact CB-CB 3.95Å; A204-P258 HydrophobicContact CB-CG 3.7Å; L207-P258 HydrophobicContact CD1-CG 4.14Å
259V92.5Very high91.5Very high42 Ų4257.3 Ų57.326%0.25533%0.333SS..  trans-70.1135.5178176.90000111L252 P254L252-V259 WeakPolarHBondContact O-CG2 3.32Å; L252-V259 PolarHBondContact O-N 3.27Å; P254-V259 HydrophobicContact CG-CG2 4.28Å
260L91.6Very high91.2Very high52 Ų5256.1 Ų56.127%0.27234%0.338SS..  trans-116.1112177.3-178.861.2000111A204 R205 D208 R262A204-L260 HydrophobicContact CB-CB 4.1Å; A204-L260 HydrophobicContact CB-CD1 4.13Å; R205-L260 HydrophobicContact CG-CD1 3.41Å; R205-L260 VanDerWaalsContact CG-CD1 3.41Å; D208-L260 HydrophobicContact CB-CD2 4.1Å; D208-L260 WeakPolarHBondContact OD2-CD2 3.42Å; L260-R262 HydrophobicContact CD1-CG 4.28Å; L260-R262 HydrophobicContact CD2-CG 4.45Å; L260-R262 HydrophobicContact CG-CG 4.12Å
261C93.9Very high91.1Very high19 Ų1955.8 Ų55.813%0.12834%0.335CS..  trans-103.4116.5174.2-53.80000110.1R205 I229 H233R205-C261 PolarHBondContact NH2-O 3.13Å; I229-C261 HydrophobicContact CG1-CB 4.43Å; I229-C261 HydrophobicContact CG2-CB 4.42Å; H233-C261 PolarHBondContact CD2-SG 2.86Å; H233-C261 VanDerWaalsContact CG-SG 3.52Å
262R92.9Very high91.1Very high75 Ų7554.1 Ų54.128%0.28332%0.324SS..  trans-118.3134.5175-64.9-169.1-101.5150.3-16.9109.2D208 I229 L260 E266 E267D208-R262 IonicContact OD2-CZ 2.77Å; D208-R262 IonicContact OD2-NE 3.41Å; D208-R262 IonicContact OD2-NH2 2.68Å; D208-R262 PolarHBondContact OD2-NH2 3.37Å; I229-R262 WeakPolarHBondContact CD1-O 3.49Å; L260-R262 HydrophobicContact CD1-CG 4.28Å; L260-R262 HydrophobicContact CD2-CG 4.45Å; L260-R262 HydrophobicContact CG-CG 4.12Å; R262-E266 HydrophobicContact CB-CB 4.39Å; R262-E266 HydrophobicContact CG-CG 4.22Å; R262-E267 HydrophobicContact CB-CB 4.37Å
263D94.4Very high91Very high3 Ų355 Ų552%0.01633%0.332CS..  trans-89.5172.7168.160.931.4000110.3R227 I229 M265 E266 E267 M309R227-D263 IonicContact CZ-OD1 2.69Å; R227-D263 IonicContact CZ-OD2 3.44Å; R227-D263 IonicContact NE-OD1 2.66Å; R227-D263 PolarHBondContact NE-OD1 3.19Å; R227-D263 IonicContact NE-OD2 2.85Å; R227-D263 PolarHBondContact NE-OD2 2.89Å; R227-D263 IonicContact NH2-OD1 3.65Å; R227-D263 PolarHBondContact NH2-OD1 3.11Å; R227-D263 IonicContact NH2-OD2 3.86Å; R227-D263 PolarHBondContact NH2-OD2 2.8Å; I229-D263 HydrophobicContact CB-CB 4.29Å; I229-D263 HydrophobicContact CD1-CB 3.96Å; I229-D263 HydrophobicContact CG2-CB 4.05Å; D263-M265 PolarHBondContact O-N 2.97Å; D263-M265 VanDerWaalsContact O-N 3.08Å; D263-M265 WeakPolarHBondContact OD1-CB 3.29Å; D263-M265 PolarHBondContact OD1-N 2.7Å; D263-M265 VanDerWaalsContact OD1-N 3.16Å; D263-E266 PolarHBondContact O-N 3.17Å; D263-E266 PolarHBondContact OD1-N 2.92Å; D263-E267 WeakPolarHBondContact O-CB 3.34Å; D263-E267 PolarHBondContact O-N 2.79Å; D263-M309 WeakPolarHBondContact OD2-CE 3.16Å
264E94.5Very high91Very high33 Ų3356.8 Ų56.815%0.15434%0.336CS..Hα-helixtrans-55.2-31.4-177.6-63.4-71.417600112.8E266 W268 S302 Q305 F306E264-E266 VanDerWaalsContact C-N 3.33Å; E264-E266 PolarHBondContact O-N 2.79Å; E264-W268 VanDerWaalsContact O-CG 3.29Å; E264-W268 PolarHBondContact O-N 3.04Å; E264-W268 PolarHBondContact OE2-NE1 2.83Å; E264-S302 WeakPolarHBondContact OE1-CB 3.37Å; E264-S302 WeakPolarHBondContact OE2-CB 3.18Å; E264-Q305 HydrophobicContact CB-CG 4.36Å; E264-Q305 HydrophobicContact CG-CB 4.16Å; E264-Q305 HydrophobicContact CG-CG 4.02Å; E264-F306 HydrophobicContact CB-CB 4.19Å; E264-F306 WeakPolarHBondContact O-CD2 3.45Å
265M92Very high91.2Very high55 Ų5556.4 Ų56.427%0.27133%0.331SS..Hα-helixtrans-64.7-39.1179.5-177.663.7-157.500112.1D263 F306 M309 W310 T313D263-M265 PolarHBondContact O-N 2.97Å; D263-M265 VanDerWaalsContact O-N 3.08Å; D263-M265 WeakPolarHBondContact OD1-CB 3.29Å; D263-M265 PolarHBondContact OD1-N 2.7Å; D263-M265 VanDerWaalsContact OD1-N 3.16Å; M265-F306 HydrophobicContact SD-CD2 4.46Å; M265-F306 HydrophobicContact SD-CE2 3.9Å; M265-F306 HydrophobicContact SD-CZ 4.27Å; M265-M309 HydrophobicContact CB-CB 3.76Å; M265-M309 HydrophobicContact CB-CG 4.35Å; M265-M309 HydrophobicContact CG-CB 4.21Å; M265-M309 HydrophobicContact SD-CB 4.37Å; M265-W310 HydrophobicContact SD-CB 4.22Å; M265-T313 HydrophobicContact CE-CG2 3.41Å; M265-T313 VanDerWaalsContact CE-CG2 3.41Å; M265-T313 HydrophobicContact SD-CG2 4.27Å
266E90.2Very high92Very high44 Ų4446.2 Ų46.221%0.20628%0.283CS..Hα-helixtrans-87.5-31.9179.2-172.5-174.8169.900112.7R205 R262 D263 E264 W268R205-E266 IonicContact CZ-OE1 2.85Å; R205-E266 IonicContact CZ-OE2 3.28Å; R205-E266 IonicContact NE-OE1 2.76Å; R205-E266 PolarHBondContact NE-OE1 2.85Å; R205-E266 IonicContact NE-OE2 2.7Å; R205-E266 PolarHBondContact NE-OE2 3.31Å; R205-E266 IonicContact NH2-OE1 3.18Å; R205-E266 PolarHBondContact NH2-OE1 2.84Å; R205-E266 IonicContact NH2-OE2 2.83Å; R205-E266 PolarHBondContact NH2-OE2 3.02Å; R262-E266 HydrophobicContact CB-CB 4.39Å; R262-E266 HydrophobicContact CG-CG 4.22Å; D263-E266 PolarHBondContact O-N 3.17Å; D263-E266 PolarHBondContact OD1-N 2.92Å; E264-E266 VanDerWaalsContact C-N 3.33Å; E264-E266 PolarHBondContact O-N 2.79Å; E266-W268 VanDerWaalsContact C-N 3.33Å; E266-W268 PolarHBondContact O-N 2.86Å
267E90.9Very high92.7Very high102 Ų10243.5 Ų43.548%0.47725%0.247SC..Hα-helixtrans-71.9-27.6-175.7-172.1171.2-169.200113.1R262 D263R262-E267 HydrophobicContact CB-CB 4.37Å; D263-E267 WeakPolarHBondContact O-CB 3.34Å; D263-E267 PolarHBondContact O-N 2.79Å
268W91.9Very high93.1Very high12 Ų1247 Ų475%0.04526%0.255CS..SBendtrans-70.8139.6-178.4-76.538.7000112.5E264 E266 E272 F276 L295 K298 I303 F306E264-W268 VanDerWaalsContact O-CG 3.29Å; E264-W268 PolarHBondContact O-N 3.04Å; E264-W268 PolarHBondContact OE2-NE1 2.83Å; E266-W268 VanDerWaalsContact C-N 3.33Å; E266-W268 PolarHBondContact O-N 2.86Å; W268-E272 HydrophobicContact CB-CB 4.48Å; W268-E272 HydrophobicContact CD2-CB 4.37Å; W268-E272 HydrophobicContact CE3-CB 3.77Å; W268-E272 HydrophobicContact CZ3-CB 4.46Å; W268-F276 HydrophobicContact CH2-CD2 4.35Å; W268-F276 HydrophobicContact CZ3-CB 3.94Å; W268-F276 HydrophobicContact CZ3-CD2 4.31Å; W268-F276 HydrophobicContact CZ3-CG 4.29Å; W268-L295 HydrophobicContact CH2-CD1 3.64Å; W268-L295 HydrophobicContact CZ3-CD1 3.51Å; W268-K298 HydrophobicContact CH2-CG 4.46Å; W268-K298 HydrophobicContact CZ2-CD 4.07Å; W268-K298 HydrophobicContact CZ2-CG 4.17Å; W268-I303 HydrophobicContact CH2-CB 4.47Å; W268-I303 HydrophobicContact CH2-CG1 3.93Å; W268-I303 HydrophobicContact CZ2-CG1 4.15Å; W268-F306 HydrophobicContact CB-CD2 4.21Å; W268-F306 HydrophobicContact CB-CE2 3.85Å; W268-F306 HydrophobicContact CD2-CB 4.39Å; W268-F306 HydrophobicContact CD2-CD1 4.38Å; W268-F306 AromaticContact CD2-CD2 3.54Å; W268-F306 HydrophobicContact CD2-CD2 3.54Å; W268-F306 AromaticContact CD2-CE2 3.83Å; W268-F306 HydrophobicContact CD2-CE2 3.83Å; W268-F306 AromaticContact CD2-CG 3.85Å; W268-F306 HydrophobicContact CD2-CG 3.85Å; W268-F306 HydrophobicContact CD2-CZ 4.38Å; W268-F306 AromaticContact CE2-CD2 3.81Å; W268-F306 AromaticContact CE2-CG 3.82Å; W268-F306 AromaticContact CE3-CD1 4Å; W268-F306 HydrophobicContact CE3-CD1 4Å; W268-F306 AromaticContact CE3-CD2 3.89Å; W268-F306 HydrophobicContact CE3-CD2 3.89Å; W268-F306 HydrophobicContact CE3-CE1 4.03Å; W268-F306 AromaticContact CE3-CE2 3.92Å; W268-F306 HydrophobicContact CE3-CE2 3.92Å; W268-F306 AromaticContact CE3-CG 3.94Å; W268-F306 HydrophobicContact CE3-CG 3.94Å; W268-F306 AromaticContact CE3-CZ 3.99Å; W268-F306 HydrophobicContact CE3-CZ 3.99Å; W268-F306 AromaticContact CG-CD2 3.72Å; W268-F306 HydrophobicContact CG-CD2 3.72Å; W268-F306 AromaticContact CG-CE2 3.85Å; W268-F306 HydrophobicContact CG-CE2 3.85Å; W268-F306 HydrophobicContact CG-CG 4.47Å; W268-F306 HydrophobicContact CH2-CB 4.01Å; W268-F306 HydrophobicContact CH2-CD1 4.01Å; W268-F306 AromaticContact CH2-CG 3.95Å; W268-F306 HydrophobicContact CH2-CG 3.95Å; W268-F306 HydrophobicContact CZ2-CB 3.63Å; W268-F306 HydrophobicContact CZ2-CD1 4.4Å; W268-F306 HydrophobicContact CZ2-CD2 4.34Å; W268-F306 AromaticContact CZ2-CG 3.88Å; W268-F306 HydrophobicContact CZ2-CG 3.88Å; W268-F306 AromaticContact CZ3-CD1 3.82Å; W268-F306 HydrophobicContact CZ3-CD1 3.82Å; W268-F306 HydrophobicContact CZ3-CD2 4.43Å; W268-F306 HydrophobicContact CZ3-CE1 4.1Å; W268-F306 HydrophobicContact CZ3-CG 4.01Å
269S90.4Very high93.3Very high29 Ų2945.8 Ų45.820%0.20325%0.247CC..  trans-71.2157.8172.762.30000111.7S271 E272 A273S269-S271 PolarHBondContact O-N 3.07Å; S269-S271 PolarHBondContact OG-OG 3.33Å; S269-E272 PolarHBondContact N-OE2 3.07Å; S269-E272 PolarHBondContact O-N 2.83Å; S269-E272 VanDerWaalsContact O-N 3.11Å; S269-E272 WeakPolarHBondContact OG-CB 3.33Å; S269-E272 VanDerWaalsContact OG-CD 3.23Å; S269-E272 WeakPolarHBondContact OG-CG 3.38Å; S269-E272 PolarHBondContact OG-N 2.96Å; S269-E272 PolarHBondContact OG-OE2 2.96Å; S269-A273 PolarHBondContact O-N 3.05Å
270A88.6Confident93.4Very high69 Ų6945.1 Ų45.157%0.5724%0.242SC*.Hα-helixtrans-57-37.517700000112.6A273 M274A270-A273 PolarHBondContact O-N 3.07Å; A270-M274 WeakPolarHBondContact O-CG 3.49Å; A270-M274 PolarHBondContact O-N 3.48Å
271S92.3Very high93.4Very high75 Ų7549.2 Ų49.252%0.52426%0.26SS..Hα-helixtrans-68.7-37.6176.848.40000112.8S269 M274 L275S269-S271 PolarHBondContact O-N 3.07Å; S269-S271 PolarHBondContact OG-OG 3.33Å; S271-M274 PolarHBondContact O-N 3.21Å; S271-L275 WeakPolarHBondContact O-CG 3.42Å; S271-L275 PolarHBondContact O-N 3.46Å
272E95.4Very high93.5Very high26 Ų2654.7 Ų54.712%0.12128%0.281CS..Hα-helixtrans-66.5-41174.8-71.9168.6135.800111.9W268 S269 M274 L275 F276 L295 W297 K298W268-E272 HydrophobicContact CB-CB 4.48Å; W268-E272 HydrophobicContact CD2-CB 4.37Å; W268-E272 HydrophobicContact CE3-CB 3.77Å; W268-E272 HydrophobicContact CZ3-CB 4.46Å; S269-E272 PolarHBondContact N-OE2 3.07Å; S269-E272 PolarHBondContact O-N 2.83Å; S269-E272 VanDerWaalsContact O-N 3.11Å; S269-E272 WeakPolarHBondContact OG-CB 3.33Å; S269-E272 VanDerWaalsContact OG-CD 3.23Å; S269-E272 WeakPolarHBondContact OG-CG 3.38Å; S269-E272 PolarHBondContact OG-N 2.96Å; S269-E272 PolarHBondContact OG-OE2 2.96Å; E272-M274 VanDerWaalsContact C-N 3.34Å; E272-M274 PolarHBondContact O-N 2.85Å; E272-L275 PolarHBondContact O-N 2.83Å; E272-F276 WeakPolarHBondContact O-CB 3.46Å; E272-F276 PolarHBondContact O-N 3.18Å; E272-L295 HydrophobicContact CB-CD2 4.23Å; E272-L295 HydrophobicContact CG-CD2 4.21Å; E272-W297 HydrophobicContact CG-CZ2 4.35Å; E272-W297 PolarHBondContact OE1-NE1 3.4Å; E272-K298 VanDerWaalsContact CD-CE 3.45Å; E272-K298 WeakPolarHBondContact OE1-CE 3.5Å; E272-K298 IonicContact OE1-NZ 3.28Å; E272-K298 PolarHBondContact OE1-NZ 3.11Å; E272-K298 IonicContact OE2-NZ 2.96Å
273A93.6Very high93.7Very high24 Ų2454.1 Ų54.120%0.19828%0.28CS..Hα-helixtrans-62-41.1174.600000111.6S269 A270 F276 E277 F306S269-A273 PolarHBondContact O-N 3.05Å; A270-A273 PolarHBondContact O-N 3.07Å; A273-F276 WeakPolarHBondContact O-CB 3.43Å; A273-F276 PolarHBondContact O-N 3Å; A273-E277 WeakPolarHBondContact O-CG 3.23Å; A273-E277 PolarHBondContact O-N 3.04Å; A273-F306 HydrophobicContact CB-CZ 4.04Å
274M93.4Very high93.7Very high115 Ų11555.5 Ų55.557%0.56730%0.295SS*.Hα-helixtrans-63.9-47.4174.4-73.3179.965.200112.3A270 S271 E272 F276 E277 E278A270-M274 WeakPolarHBondContact O-CG 3.49Å; A270-M274 PolarHBondContact O-N 3.48Å; S271-M274 PolarHBondContact O-N 3.21Å; E272-M274 VanDerWaalsContact C-N 3.34Å; E272-M274 PolarHBondContact O-N 2.85Å; M274-F276 PolarHBondContact O-N 2.78Å; M274-E277 PolarHBondContact O-N 3Å; M274-E277 VanDerWaalsContact O-N 3.16Å; M274-E278 WeakPolarHBondContact O-CG 3.44Å; M274-E278 PolarHBondContact O-N 3.11Å
275L96.8Very high93.7Very high52 Ų5260.9 Ų60.927%0.27232%0.317SS..Hα-helixtrans-57.7-38.4175.9-75.8170.8000111.5S271 E272 A279 F294 L295 W297S271-L275 WeakPolarHBondContact O-CG 3.42Å; S271-L275 PolarHBondContact O-N 3.46Å; E272-L275 PolarHBondContact O-N 2.83Å; L275-A279 VanDerWaalsContact O-CB 3.22Å; L275-A279 WeakPolarHBondContact O-CB 3.41Å; L275-A279 PolarHBondContact O-N 3.43Å; L275-F294 HydrophobicContact CB-CD1 4.5Å; L275-F294 HydrophobicContact CD2-CD1 4.04Å; L275-F294 WeakPolarHBondContact O-CD1 3.21Å; L275-L295 HydrophobicContact CB-CD2 4.12Å; L275-L295 HydrophobicContact CD1-CD2 4.22Å; L275-W297 HydrophobicContact CD1-CH2 4.13Å; L275-W297 HydrophobicContact CD1-CZ2 4.23Å
276F96.9Very high94Very high0 Ų061.5 Ų61.50%032%0.322CS..Hα-helixtrans-64-45.9175.7179.1-99.4000112.9W268 E272 A273 M274 A279 L280 I290 L295 I303 F306 Y307 W310W268-F276 HydrophobicContact CH2-CD2 4.35Å; W268-F276 HydrophobicContact CZ3-CB 3.94Å; W268-F276 HydrophobicContact CZ3-CD2 4.31Å; W268-F276 HydrophobicContact CZ3-CG 4.29Å; E272-F276 WeakPolarHBondContact O-CB 3.46Å; E272-F276 PolarHBondContact O-N 3.18Å; A273-F276 WeakPolarHBondContact O-CB 3.43Å; A273-F276 PolarHBondContact O-N 3Å; M274-F276 PolarHBondContact O-N 2.78Å; F276-A279 PolarHBondContact O-N 2.96Å; F276-L280 HydrophobicContact CE1-CD1 4.45Å; F276-L280 HydrophobicContact CE1-CD2 4.35Å; F276-L280 HydrophobicContact CZ-CD1 4.01Å; F276-L280 VanDerWaalsContact O-CB 3.29Å; F276-L280 WeakPolarHBondContact O-CB 3.36Å; F276-L280 PolarHBondContact O-N 3.41Å; F276-I290 HydrophobicContact CD2-CG2 4.25Å; F276-L295 HydrophobicContact CB-CD1 4.09Å; F276-L295 HydrophobicContact CD2-CD1 4.29Å; F276-I303 HydrophobicContact CD2-CG2 4.25Å; F276-I303 HydrophobicContact CE2-CG2 3.83Å; F276-F306 HydrophobicContact CB-CE1 4.29Å; F276-F306 AromaticContact CD1-CD1 3.87Å; F276-F306 HydrophobicContact CD1-CD1 3.87Å; F276-F306 AromaticContact CD1-CE1 3.59Å; F276-F306 HydrophobicContact CD1-CE1 3.59Å; F276-F306 HydrophobicContact CD2-CD1 4.29Å; F276-F306 HydrophobicContact CE1-CD1 4.02Å; F276-F306 HydrophobicContact CE1-CE1 4.07Å; F276-F306 HydrophobicContact CE2-CD1 4.44Å; F276-F306 HydrophobicContact CG-CD1 4.01Å; F276-F306 AromaticContact CG-CE1 3.92Å; F276-F306 HydrophobicContact CG-CE1 3.92Å; F276-F306 HydrophobicContact CZ-CD1 4.31Å; F276-Y307 HydrophobicContact CE1-CD2 4.41Å; F276-Y307 AromaticContact CZ-CD2 3.86Å; F276-Y307 HydrophobicContact CZ-CD2 3.86Å; F276-Y307 HydrophobicContact CZ-CG 4.3Å; F276-W310 HydrophobicContact CE1-CD2 4.14Å; F276-W310 HydrophobicContact CE1-CE3 4.08Å; F276-W310 HydrophobicContact CE1-CG 4.41Å
277E93.9Very high94.3Very high30 Ų3061 Ų6114%0.1432%0.319CS..Hα-helixtrans-61.5-45.2178.3-70.9-174.7-178.400111.4A273 M274 A279 L280 E281 W310 R315A273-E277 WeakPolarHBondContact O-CG 3.23Å; A273-E277 PolarHBondContact O-N 3.04Å; M274-E277 PolarHBondContact O-N 3Å; M274-E277 VanDerWaalsContact O-N 3.16Å; E277-A279 VanDerWaalsContact C-N 3.35Å; E277-A279 PolarHBondContact O-N 2.9Å; E277-L280 PolarHBondContact O-N 2.72Å; E277-E281 WeakPolarHBondContact O-CG 3.47Å; E277-E281 PolarHBondContact O-N 2.75Å; E277-W310 HydrophobicContact CG-CZ2 3.71Å; E277-W310 PolarHBondContact OE1-NE1 3.45Å; E277-R315 VanDerWaalsContact CD-NE 3.34Å; E277-R315 WeakPolarHBondContact OE1-CD 3.49Å; E277-R315 IonicContact OE1-CZ 3.46Å; E277-R315 IonicContact OE1-NE 3.05Å; E277-R315 PolarHBondContact OE1-NE 2.9Å; E277-R315 IonicContact OE2-CZ 2.73Å; E277-R315 IonicContact OE2-NE 2.68Å; E277-R315 PolarHBondContact OE2-NE 3.04Å; E277-R315 IonicContact OE2-NH2 3.76Å; E277-R315 PolarHBondContact OE2-NH2 2.8Å
278E95.3Very high94.7Very high104 Ų10460.1 Ų60.149%0.48632%0.318SS..Hα-helixtrans-60.4-44.1175.4-70179.4-16900112M274 E281 K282 F294M274-E278 WeakPolarHBondContact O-CG 3.44Å; M274-E278 PolarHBondContact O-N 3.11Å; E278-E281 PolarHBondContact O-N 2.84Å; E278-K282 WeakPolarHBondContact O-CB 3.45Å; E278-K282 PolarHBondContact O-N 3.27Å; E278-F294 HydrophobicContact CB-CE1 3.91Å
279A97.1Very high94.9Very high0 Ų063.1 Ų63.10%034%0.335CS..Hα-helixtrans-65.5-40178.700000112L275 F276 E277 K282 Y283 I290 F294L275-A279 VanDerWaalsContact O-CB 3.22Å; L275-A279 WeakPolarHBondContact O-CB 3.41Å; L275-A279 PolarHBondContact O-N 3.43Å; F276-A279 PolarHBondContact O-N 2.96Å; E277-A279 VanDerWaalsContact C-N 3.35Å; E277-A279 PolarHBondContact O-N 2.9Å; A279-K282 PolarHBondContact O-N 3.37Å; A279-Y283 PolarHBondContact O-N 2.81Å; A279-I290 HydrophobicContact CB-CB 4.1Å; A279-I290 HydrophobicContact CB-CG1 3.78Å; A279-I290 HydrophobicContact CB-CG2 3.68Å; A279-F294 HydrophobicContact CB-CB 3.77Å; A279-F294 HydrophobicContact CB-CD1 3.79Å; A279-F294 HydrophobicContact CB-CD2 3.47Å; A279-F294 VanDerWaalsContact CB-CD2 3.47Å; A279-F294 HydrophobicContact CB-CE1 4.19Å; A279-F294 HydrophobicContact CB-CE2 3.91Å; A279-F294 HydrophobicContact CB-CG 3.4Å; A279-F294 VanDerWaalsContact CB-CG 3.4Å; A279-F294 HydrophobicContact CB-CZ 4.25Å
280L95.2Very high95.3Very high28 Ų2861.8 Ų61.815%0.14733%0.325CS..Hα-helixtrans-67.4-36.4178.7-164.983.7000111.5F276 E277 G284 F287 I290 Y307 W310F276-L280 HydrophobicContact CE1-CD1 4.45Å; F276-L280 HydrophobicContact CE1-CD2 4.35Å; F276-L280 HydrophobicContact CZ-CD1 4.01Å; F276-L280 VanDerWaalsContact O-CB 3.29Å; F276-L280 WeakPolarHBondContact O-CB 3.36Å; F276-L280 PolarHBondContact O-N 3.41Å; E277-L280 PolarHBondContact O-N 2.72Å; L280-G284 WeakPolarHBondContact CD1-O 3.5Å; L280-G284 WeakPolarHBondContact O-CA 3.3Å; L280-G284 PolarHBondContact O-N 3.23Å; L280-F287 HydrophobicContact CD1-CE1 4.39Å; L280-I290 HydrophobicContact CD1-CD1 4.09Å; L280-Y307 HydrophobicContact CD1-CD2 4.11Å; L280-Y307 HydrophobicContact CD1-CE2 4.06Å; L280-Y307 HydrophobicContact CD2-CE2 4.39Å; L280-W310 HydrophobicContact CD2-CE3 4.41Å; L280-W310 HydrophobicContact CD2-CH2 3.72Å; L280-W310 HydrophobicContact CD2-CZ3 3.48Å; L280-W310 VanDerWaalsContact CD2-CZ3 3.48Å
281E92.3Very high95.7Very high139 Ų13962 Ų6265%0.6531%0.311SS*.Hα-helixtrans-68.4-37.7173.4-72.6-172.7167.200112.1E277 E278 Q319E277-E281 WeakPolarHBondContact O-CG 3.47Å; E277-E281 PolarHBondContact O-N 2.75Å; E278-E281 PolarHBondContact O-N 2.84Å; E281-Q319 PolarHBondContact OE1-NE2 3.45Å; E281-Q319 VanDerWaalsContact OE1-NE2 3.14Å
282K95.9Very high96Very high133 Ų13363.6 Ų63.658%0.57831%0.311SS*.Hα-helixtrans-77.5-45.7-178.5-168.8-175179.2-166.50113.7E278 A279 F294E278-K282 WeakPolarHBondContact O-CB 3.45Å; E278-K282 PolarHBondContact O-N 3.27Å; A279-K282 PolarHBondContact O-N 3.37Å; K282-F294 HydrophobicContact CD-CE2 3.98Å; K282-F294 HydrophobicContact CD-CZ 3.92Å
283Y96.2Very high96.1Very high63 Ų6367.1 Ų67.125%0.24733%0.33CS..Hα-helixtrans-109.5-1.8-171.9-60.2-41.7000113.7A279 K285 D289 I290 D293 F294A279-Y283 PolarHBondContact O-N 2.81Å; Y283-K285 PolarHBondContact O-N 2.94Å; Y283-D289 HydrophobicContact CD2-CB 4.02Å; Y283-D289 HydrophobicContact CE2-CB 4.36Å; Y283-D289 HydrophobicContact CG-CB 4.21Å; Y283-I290 HydrophobicContact CD2-CG1 4.36Å; Y283-D293 HydrophobicContact CE2-CB 3.93Å; Y283-D293 WeakPolarHBondContact CE2-OD2 3.49Å; Y283-D293 VanDerWaalsContact CZ-OD2 3.25Å; Y283-D293 PolarHBondContact OH-OD2 3.47Å; Y283-F294 HydrophobicContact CD2-CD2 4.33Å; Y283-F294 HydrophobicContact CD2-CE2 4.08Å; Y283-F294 AromaticContact CE2-CD2 3.88Å; Y283-F294 HydrophobicContact CE2-CD2 3.88Å; Y283-F294 AromaticContact CE2-CE2 3.52Å; Y283-F294 HydrophobicContact CE2-CE2 3.52Å
284G94.2Very high96.3Very high32 Ų3267.5 Ų67.533%0.3333%0.327SS..THydrogen-bonded Turntrans66.9-131-175.900000110.8L280L280-G284 WeakPolarHBondContact CD1-O 3.5Å; L280-G284 WeakPolarHBondContact O-CA 3.3Å; L280-G284 PolarHBondContact O-N 3.23Å
285K96.4Very high96.5Very high146 Ų14662 Ų6264%0.63530%0.3SS*.THydrogen-bonded Turntrans-9921.8-177.4-54.7179.4-167.91780113.1Y283 F287 Y307Y283-K285 PolarHBondContact O-N 2.94Å; K285-F287 HydrophobicContact CB-CE2 4.38Å; K285-F287 HydrophobicContact CB-CZ 4.26Å; K285-F287 WeakPolarHBondContact O-CD2 3.24Å; K285-F287 PolarHBondContact O-N 2.85Å; K285-F287 VanDerWaalsContact O-N 3.1Å; K285-Y307 WeakPolarHBondContact CD-OH 3.13Å; K285-Y307 VanDerWaalsContact CE-OH 3.24Å; K285-Y307 WeakPolarHBondContact CE-OH 3.39Å
286D96.9Very high96.5Very high69 Ų6963.1 Ų63.137%0.36931%0.311SS..  trans-80.786172.3-162-30.5000110.3N288 D289 I290D286-N288 PolarHBondContact O-N 2.76Å; D286-N288 PolarHBondContact OD1-N 2.72Å; D286-N288 VanDerWaalsContact OD1-N 3.14Å; D286-D289 HydrophobicContact CB-CB 4.36Å; D286-D289 PolarHBondContact O-N 2.91Å; D286-D289 PolarHBondContact OD1-N 2.71Å; D286-I290 VanDerWaalsContact O-CG1 3.29Å; D286-I290 WeakPolarHBondContact O-CG1 3.44Å; D286-I290 PolarHBondContact O-N 2.79Å
287F97.7Very high96.6Very high33 Ų3370.7 Ų70.715%0.14534%0.34CS..Hα-helixtrans-66.3-19.2-177.7-56.9-64.5000113.6L280 K285 I290 R291 L300 I303 V304 Y307L280-F287 HydrophobicContact CD1-CE1 4.39Å; K285-F287 HydrophobicContact CB-CE2 4.38Å; K285-F287 HydrophobicContact CB-CZ 4.26Å; K285-F287 WeakPolarHBondContact O-CD2 3.24Å; K285-F287 PolarHBondContact O-N 2.85Å; K285-F287 VanDerWaalsContact O-N 3.1Å; F287-I290 HydrophobicContact CD1-CD1 4.06Å; F287-R291 WeakPolarHBondContact O-CB 3.48Å; F287-R291 PolarHBondContact O-N 3.16Å; F287-L300 HydrophobicContact CB-CD1 3.55Å; F287-L300 WeakPolarHBondContact O-CD1 3.46Å; F287-I303 HydrophobicContact CB-CG2 4.41Å; F287-I303 HydrophobicContact CD1-CG2 3.89Å; F287-V304 HydrophobicContact CB-CG2 4.34Å; F287-V304 HydrophobicContact CD2-CG2 3.84Å; F287-V304 HydrophobicContact CE2-CG2 4.31Å; F287-V304 HydrophobicContact CG-CG2 4.03Å; F287-Y307 HydrophobicContact CE1-CD1 4.16Å; F287-Y307 AromaticContact CE1-CD2 3.99Å; F287-Y307 HydrophobicContact CE1-CD2 3.99Å; F287-Y307 AromaticContact CE1-CG 3.73Å; F287-Y307 HydrophobicContact CE1-CG 3.73Å; F287-Y307 HydrophobicContact CE2-CD1 4.46Å; F287-Y307 AromaticContact CZ-CD1 3.54Å; F287-Y307 HydrophobicContact CZ-CD1 3.54Å; F287-Y307 HydrophobicContact CZ-CD2 4.04Å; F287-Y307 AromaticContact CZ-CE1 3.85Å; F287-Y307 HydrophobicContact CZ-CE1 3.85Å; F287-Y307 HydrophobicContact CZ-CE2 4.3Å; F287-Y307 AromaticContact CZ-CG 3.61Å; F287-Y307 HydrophobicContact CZ-CG 3.61Å
288N97.7Very high96.7Very high84 Ų8470.9 Ų70.945%0.44934%0.34SS..Hα-helixtrans-71.3-46.6175.1-75.2-64.8000110.5D286 R291 Q292D286-N288 PolarHBondContact O-N 2.76Å; D286-N288 PolarHBondContact OD1-N 2.72Å; D286-N288 VanDerWaalsContact OD1-N 3.14Å; N288-R291 PolarHBondContact O-N 3.21Å; N288-Q292 VanDerWaalsContact O-CG 3.3Å; N288-Q292 WeakPolarHBondContact O-CG 3.34Å; N288-Q292 PolarHBondContact O-N 3.05Å
289D97.8Very high96.9Very high75 Ų7568.8 Ų68.840%0.40134%0.337SS..Hα-helixtrans-69.6-38.4179.2-73.7-0.9000111.2Y283 D286 R291 Q292 D293Y283-D289 HydrophobicContact CD2-CB 4.02Å; Y283-D289 HydrophobicContact CE2-CB 4.36Å; Y283-D289 HydrophobicContact CG-CB 4.21Å; D286-D289 HydrophobicContact CB-CB 4.36Å; D286-D289 PolarHBondContact O-N 2.91Å; D286-D289 PolarHBondContact OD1-N 2.71Å; D289-R291 VanDerWaalsContact C-N 3.32Å; D289-R291 PolarHBondContact O-N 3.07Å; D289-Q292 PolarHBondContact O-N 3.26Å; D289-D293 WeakPolarHBondContact O-CB 3.49Å; D289-D293 PolarHBondContact O-N 2.82Å
290I98.1Very high96.9Very high0 Ų071.4 Ų71.40%035%0.35CS..Hα-helixtrans-55.9-47.3171-67.6170.3000110.7F276 A279 L280 Y283 D286 F287 F294 L295 I303F276-I290 HydrophobicContact CD2-CG2 4.25Å; A279-I290 HydrophobicContact CB-CB 4.1Å; A279-I290 HydrophobicContact CB-CG1 3.78Å; A279-I290 HydrophobicContact CB-CG2 3.68Å; L280-I290 HydrophobicContact CD1-CD1 4.09Å; Y283-I290 HydrophobicContact CD2-CG1 4.36Å; D286-I290 VanDerWaalsContact O-CG1 3.29Å; D286-I290 WeakPolarHBondContact O-CG1 3.44Å; D286-I290 PolarHBondContact O-N 2.79Å; F287-I290 HydrophobicContact CD1-CD1 4.06Å; I290-F294 WeakPolarHBondContact O-CB 3.47Å; I290-F294 PolarHBondContact O-N 2.88Å; I290-L295 HydrophobicContact CG2-CD1 4.46Å; I290-L295 PolarHBondContact O-N 2.79Å; I290-L295 VanDerWaalsContact O-N 3.17Å; I290-I303 HydrophobicContact CG2-CG2 4.4Å
291R97.8Very high97Very high73 Ų7373.6 Ų73.628%0.27537%0.373SS..Hα-helixtrans-63.5-48.4177.9-168.6-174.181.6-179.46.6111.5F287 N288 D289 D293 L295 P296 K298 I303F287-R291 WeakPolarHBondContact O-CB 3.48Å; F287-R291 PolarHBondContact O-N 3.16Å; N288-R291 PolarHBondContact O-N 3.21Å; D289-R291 VanDerWaalsContact C-N 3.32Å; D289-R291 PolarHBondContact O-N 3.07Å; R291-D293 PolarHBondContact O-N 2.85Å; R291-L295 WeakPolarHBondContact CG-O 3.02Å; R291-L295 CarbonylContact O-C 3.56Å; R291-L295 PolarHBondContact O-N 2.77Å; R291-P296 WeakPolarHBondContact O-CA 3.49Å; R291-K298 VanDerWaalsContact CD-O 3.28Å; R291-K298 WeakPolarHBondContact CD-O 3.35Å; R291-K298 WeakPolarHBondContact CG-O 3.34Å; R291-I303 HydrophobicContact CB-CD1 3.51Å; R291-I303 HydrophobicContact CG-CD1 3.59Å
292Q97.5Very high97.3Very high110 Ų11067.4 Ų67.451%0.51435%0.345SS..Hα-helixtrans-64.7-41.4-173.6-70.5-66.5-14.800112.6N288 D289N288-Q292 VanDerWaalsContact O-CG 3.3Å; N288-Q292 WeakPolarHBondContact O-CG 3.34Å; N288-Q292 PolarHBondContact O-N 3.05Å; D289-Q292 PolarHBondContact O-N 3.26Å
293D97.7Very high97.4Very high99 Ų9961 Ų6153%0.52932%0.317SS..Hα-helixtrans-97-32.2-169.9-72.10.2000113.7Y283 D289 R291Y283-D293 HydrophobicContact CE2-CB 3.93Å; Y283-D293 WeakPolarHBondContact CE2-OD2 3.49Å; Y283-D293 VanDerWaalsContact CZ-OD2 3.25Å; Y283-D293 PolarHBondContact OH-OD2 3.47Å; D289-D293 WeakPolarHBondContact O-CB 3.49Å; D289-D293 PolarHBondContact O-N 2.82Å; R291-D293 PolarHBondContact O-N 2.85Å
294F97.8Very high97.5Very high32 Ų3260.2 Ų60.214%0.1432%0.318CS..THydrogen-bonded Turntrans-112.3-37.6-173.6-74-103.3000113.4L275 E278 A279 K282 Y283 I290 P296L275-F294 HydrophobicContact CB-CD1 4.5Å; L275-F294 HydrophobicContact CD2-CD1 4.04Å; L275-F294 WeakPolarHBondContact O-CD1 3.21Å; E278-F294 HydrophobicContact CB-CE1 3.91Å; A279-F294 HydrophobicContact CB-CB 3.77Å; A279-F294 HydrophobicContact CB-CD1 3.79Å; A279-F294 HydrophobicContact CB-CD2 3.47Å; A279-F294 VanDerWaalsContact CB-CD2 3.47Å; A279-F294 HydrophobicContact CB-CE1 4.19Å; A279-F294 HydrophobicContact CB-CE2 3.91Å; A279-F294 HydrophobicContact CB-CG 3.4Å; A279-F294 VanDerWaalsContact CB-CG 3.4Å; A279-F294 HydrophobicContact CB-CZ 4.25Å; K282-F294 HydrophobicContact CD-CE2 3.98Å; K282-F294 HydrophobicContact CD-CZ 3.92Å; Y283-F294 HydrophobicContact CD2-CD2 4.33Å; Y283-F294 HydrophobicContact CD2-CE2 4.08Å; Y283-F294 AromaticContact CE2-CD2 3.88Å; Y283-F294 HydrophobicContact CE2-CD2 3.88Å; Y283-F294 AromaticContact CE2-CE2 3.52Å; Y283-F294 HydrophobicContact CE2-CE2 3.52Å; I290-F294 WeakPolarHBondContact O-CB 3.47Å; I290-F294 PolarHBondContact O-N 2.88Å; F294-P296 VanDerWaalsContact C-CD 3.47Å
295L97.6Very high97.6Very high0 Ų063.1 Ų63.10%032%0.324CS..  trans-132.857.9-173-64.9167.4000113W268 E272 L275 F276 I290 R291 W297 K298 I303W268-L295 HydrophobicContact CH2-CD1 3.64Å; W268-L295 HydrophobicContact CZ3-CD1 3.51Å; E272-L295 HydrophobicContact CB-CD2 4.23Å; E272-L295 HydrophobicContact CG-CD2 4.21Å; L275-L295 HydrophobicContact CB-CD2 4.12Å; L275-L295 HydrophobicContact CD1-CD2 4.22Å; F276-L295 HydrophobicContact CB-CD1 4.09Å; F276-L295 HydrophobicContact CD2-CD1 4.29Å; I290-L295 HydrophobicContact CG2-CD1 4.46Å; I290-L295 PolarHBondContact O-N 2.79Å; I290-L295 VanDerWaalsContact O-N 3.17Å; R291-L295 WeakPolarHBondContact CG-O 3.02Å; R291-L295 CarbonylContact O-C 3.56Å; R291-L295 PolarHBondContact O-N 2.77Å; L295-W297 HydrophobicContact CD2-CZ2 3.85Å; L295-W297 PolarHBondContact O-N 2.68Å; L295-K298 HydrophobicContact CB-CB 4.27Å; L295-K298 HydrophobicContact CB-CG 4.33Å; L295-K298 PolarHBondContact O-N 3.41Å; L295-K298 VanDerWaalsContact O-N 3.1Å; L295-I303 HydrophobicContact CB-CD1 4.29Å
296P97.8Very high97.6Very high76 Ų7656.3 Ų56.349%0.49429%0.294SS..THydrogen-bonded Turntrans-69.3-18.2-17226-35.1000114.1R291 F294R291-P296 WeakPolarHBondContact O-CA 3.49Å; F294-P296 VanDerWaalsContact C-CD 3.47Å
297W97.4Very high97.6Very high159 Ų15953.3 Ų53.360%0.60228%0.277SS*.THydrogen-bonded Turntrans-85.7-12.8175.756.288.2000113.6E272 L275 L295E272-W297 HydrophobicContact CG-CZ2 4.35Å; E272-W297 PolarHBondContact OE1-NE1 3.4Å; L275-W297 HydrophobicContact CD1-CH2 4.13Å; L275-W297 HydrophobicContact CD1-CZ2 4.23Å; L295-W297 HydrophobicContact CD2-CZ2 3.85Å; L295-W297 PolarHBondContact O-N 2.68Å
298K97.7Very high97.6Very high33 Ų3358.4 Ų58.414%0.14330%0.297CS..SBendtrans-89.2147.8175.6-68.2-73.6179.2167.70110.3W268 E272 R291 L295 I303W268-K298 HydrophobicContact CH2-CG 4.46Å; W268-K298 HydrophobicContact CZ2-CD 4.07Å; W268-K298 HydrophobicContact CZ2-CG 4.17Å; E272-K298 VanDerWaalsContact CD-CE 3.45Å; E272-K298 WeakPolarHBondContact OE1-CE 3.5Å; E272-K298 IonicContact OE1-NZ 3.28Å; E272-K298 PolarHBondContact OE1-NZ 3.11Å; E272-K298 IonicContact OE2-NZ 2.96Å; R291-K298 VanDerWaalsContact CD-O 3.28Å; R291-K298 WeakPolarHBondContact CD-O 3.35Å; R291-K298 WeakPolarHBondContact CG-O 3.34Å; L295-K298 HydrophobicContact CB-CB 4.27Å; L295-K298 HydrophobicContact CB-CG 4.33Å; L295-K298 PolarHBondContact O-N 3.41Å; L295-K298 VanDerWaalsContact O-N 3.1Å; K298-I303 HydrophobicContact CB-CD1 4.05Å; K298-I303 HydrophobicContact CB-CG1 3.89Å
299S97.8Very high97.5Very high61 Ų6156.8 Ų56.843%0.42729%0.287SS..  trans-73.1157.3172.782.40000110.7A301 S302 I303S299-A301 VanDerWaalsContact C-N 3.29Å; S299-A301 PolarHBondContact O-N 3.28Å; S299-S302 PolarHBondContact N-OG 2.88Å; S299-S302 PolarHBondContact O-N 2.81Å; S299-S302 PolarHBondContact O-OG 3.24Å; S299-S302 WeakPolarHBondContact OG-CB 3.42Å; S299-S302 PolarHBondContact OG-N 3.26Å; S299-S302 PolarHBondContact OG-OG 3.16Å; S299-I303 VanDerWaalsContact O-CG1 3.29Å; S299-I303 WeakPolarHBondContact O-CG1 3.28Å; S299-I303 PolarHBondContact O-N 3.11Å
300L97.9Very high97.3Very high54 Ų5453.7 Ų53.728%0.28327%0.27SS..Hα-helixtrans-65.1-37.9175.2-175.865000111.3F287 I303 V304F287-L300 HydrophobicContact CB-CD1 3.55Å; F287-L300 WeakPolarHBondContact O-CD1 3.46Å; L300-I303 PolarHBondContact O-N 2.73Å; L300-V304 VanDerWaalsContact O-CG2 3.32Å; L300-V304 WeakPolarHBondContact O-CG2 3.48Å; L300-V304 PolarHBondContact O-N 3.26Å; L300-V304 VanDerWaalsContact O-N 3.08Å
301A97.9Very high97.2Very high75 Ų7556.8 Ų56.862%0.6228%0.283SS*.Hα-helixtrans-63-44.9179.400000111.6S299 I303 V304 Q305S299-A301 VanDerWaalsContact C-N 3.29Å; S299-A301 PolarHBondContact O-N 3.28Å; A301-I303 PolarHBondContact O-N 3.02Å; A301-V304 PolarHBondContact O-N 3.29Å; A301-Q305 WeakPolarHBondContact O-CB 3.26Å; A301-Q305 PolarHBondContact O-N 3.5Å
302S97.6Very high96.9Very high8 Ų857.7 Ų57.76%0.05630%0.297CS..Hα-helixtrans-64.9-39.3178.359.80000112.7E264 S299 V304 Q305 F306E264-S302 WeakPolarHBondContact OE1-CB 3.37Å; E264-S302 WeakPolarHBondContact OE2-CB 3.18Å; S299-S302 PolarHBondContact N-OG 2.88Å; S299-S302 PolarHBondContact O-N 2.81Å; S299-S302 PolarHBondContact O-OG 3.24Å; S299-S302 WeakPolarHBondContact OG-CB 3.42Å; S299-S302 PolarHBondContact OG-N 3.26Å; S299-S302 PolarHBondContact OG-OG 3.16Å; S302-V304 VanDerWaalsContact C-N 3.34Å; S302-V304 PolarHBondContact O-N 3Å; S302-Q305 PolarHBondContact O-N 3.49Å; S302-F306 WeakPolarHBondContact O-CB 3.44Å; S302-F306 PolarHBondContact O-N 3.08Å
303I97.9Very high96.5Very high0 Ų053.9 Ų53.90%028%0.281CS..Hα-helixtrans-61.1-43.4173.8-66.6166.8000111.1W268 F276 F287 I290 R291 L295 K298 S299 L300 A301 F306 Y307W268-I303 HydrophobicContact CH2-CB 4.47Å; W268-I303 HydrophobicContact CH2-CG1 3.93Å; W268-I303 HydrophobicContact CZ2-CG1 4.15Å; F276-I303 HydrophobicContact CD2-CG2 4.25Å; F276-I303 HydrophobicContact CE2-CG2 3.83Å; F287-I303 HydrophobicContact CB-CG2 4.41Å; F287-I303 HydrophobicContact CD1-CG2 3.89Å; I290-I303 HydrophobicContact CG2-CG2 4.4Å; R291-I303 HydrophobicContact CB-CD1 3.51Å; R291-I303 HydrophobicContact CG-CD1 3.59Å; L295-I303 HydrophobicContact CB-CD1 4.29Å; K298-I303 HydrophobicContact CB-CD1 4.05Å; K298-I303 HydrophobicContact CB-CG1 3.89Å; S299-I303 VanDerWaalsContact O-CG1 3.29Å; S299-I303 WeakPolarHBondContact O-CG1 3.28Å; S299-I303 PolarHBondContact O-N 3.11Å; L300-I303 PolarHBondContact O-N 2.73Å; A301-I303 PolarHBondContact O-N 3.02Å; I303-F306 PolarHBondContact O-N 3.43Å; I303-Y307 WeakPolarHBondContact O-CB 3.45Å; I303-Y307 PolarHBondContact O-N 3.21Å
304V97.9Very high96Very high45 Ų4555 Ų5527%0.27329%0.287SS..Hα-helixtrans-67.3-41.7178.8172.70000111.1F287 L300 A301 S302 Y307 Y308F287-V304 HydrophobicContact CB-CG2 4.34Å; F287-V304 HydrophobicContact CD2-CG2 3.84Å; F287-V304 HydrophobicContact CE2-CG2 4.31Å; F287-V304 HydrophobicContact CG-CG2 4.03Å; L300-V304 VanDerWaalsContact O-CG2 3.32Å; L300-V304 WeakPolarHBondContact O-CG2 3.48Å; L300-V304 PolarHBondContact O-N 3.26Å; L300-V304 VanDerWaalsContact O-N 3.08Å; A301-V304 PolarHBondContact O-N 3.29Å; S302-V304 VanDerWaalsContact C-N 3.34Å; S302-V304 PolarHBondContact O-N 3Å; V304-Y307 WeakPolarHBondContact O-CB 3.23Å; V304-Y307 PolarHBondContact O-N 3.38Å; V304-Y308 HydrophobicContact CG1-CD2 3.99Å; V304-Y308 HydrophobicContact CG1-CE2 3.75Å; V304-Y308 VanDerWaalsContact O-CD2 3.24Å; V304-Y308 WeakPolarHBondContact O-CD2 3.2Å; V304-Y308 PolarHBondContact O-N 3.43Å
305Q97.3Very high95.3Very high94 Ų9461 Ų6144%0.43931%0.309SS..Hα-helixtrans-62.5-46.9175.5-177174.42.400111.3E264 A301 S302 Y307 Y308 M309E264-Q305 HydrophobicContact CB-CG 4.36Å; E264-Q305 HydrophobicContact CG-CB 4.16Å; E264-Q305 HydrophobicContact CG-CG 4.02Å; A301-Q305 WeakPolarHBondContact O-CB 3.26Å; A301-Q305 PolarHBondContact O-N 3.5Å; S302-Q305 PolarHBondContact O-N 3.49Å; Q305-Y307 VanDerWaalsContact C-N 3.35Å; Q305-Y307 PolarHBondContact O-N 3.46Å; Q305-Y308 PolarHBondContact O-N 3.44Å; Q305-M309 PolarHBondContact O-N 3.08Å
306F97Very high94.9Very high2 Ų263 Ų631%0.00932%0.317CS..Hα-helixtrans-56.5-46.8173.8-176.4-94.8000111.5E264 M265 W268 A273 F276 S302 I303 Y308 M309 W310E264-F306 HydrophobicContact CB-CB 4.19Å; E264-F306 WeakPolarHBondContact O-CD2 3.45Å; M265-F306 HydrophobicContact SD-CD2 4.46Å; M265-F306 HydrophobicContact SD-CE2 3.9Å; M265-F306 HydrophobicContact SD-CZ 4.27Å; W268-F306 HydrophobicContact CB-CD2 4.21Å; W268-F306 HydrophobicContact CB-CE2 3.85Å; W268-F306 HydrophobicContact CD2-CB 4.39Å; W268-F306 HydrophobicContact CD2-CD1 4.38Å; W268-F306 AromaticContact CD2-CD2 3.54Å; W268-F306 HydrophobicContact CD2-CD2 3.54Å; W268-F306 AromaticContact CD2-CE2 3.83Å; W268-F306 HydrophobicContact CD2-CE2 3.83Å; W268-F306 AromaticContact CD2-CG 3.85Å; W268-F306 HydrophobicContact CD2-CG 3.85Å; W268-F306 HydrophobicContact CD2-CZ 4.38Å; W268-F306 AromaticContact CE2-CD2 3.81Å; W268-F306 AromaticContact CE2-CG 3.82Å; W268-F306 AromaticContact CE3-CD1 4Å; W268-F306 HydrophobicContact CE3-CD1 4Å; W268-F306 AromaticContact CE3-CD2 3.89Å; W268-F306 HydrophobicContact CE3-CD2 3.89Å; W268-F306 HydrophobicContact CE3-CE1 4.03Å; W268-F306 AromaticContact CE3-CE2 3.92Å; W268-F306 HydrophobicContact CE3-CE2 3.92Å; W268-F306 AromaticContact CE3-CG 3.94Å; W268-F306 HydrophobicContact CE3-CG 3.94Å; W268-F306 AromaticContact CE3-CZ 3.99Å; W268-F306 HydrophobicContact CE3-CZ 3.99Å; W268-F306 AromaticContact CG-CD2 3.72Å; W268-F306 HydrophobicContact CG-CD2 3.72Å; W268-F306 AromaticContact CG-CE2 3.85Å; W268-F306 HydrophobicContact CG-CE2 3.85Å; W268-F306 HydrophobicContact CG-CG 4.47Å; W268-F306 HydrophobicContact CH2-CB 4.01Å; W268-F306 HydrophobicContact CH2-CD1 4.01Å; W268-F306 AromaticContact CH2-CG 3.95Å; W268-F306 HydrophobicContact CH2-CG 3.95Å; W268-F306 HydrophobicContact CZ2-CB 3.63Å; W268-F306 HydrophobicContact CZ2-CD1 4.4Å; W268-F306 HydrophobicContact CZ2-CD2 4.34Å; W268-F306 AromaticContact CZ2-CG 3.88Å; W268-F306 HydrophobicContact CZ2-CG 3.88Å; W268-F306 AromaticContact CZ3-CD1 3.82Å; W268-F306 HydrophobicContact CZ3-CD1 3.82Å; W268-F306 HydrophobicContact CZ3-CD2 4.43Å; W268-F306 HydrophobicContact CZ3-CE1 4.1Å; W268-F306 HydrophobicContact CZ3-CG 4.01Å; A273-F306 HydrophobicContact CB-CZ 4.04Å; F276-F306 HydrophobicContact CB-CE1 4.29Å; F276-F306 AromaticContact CD1-CD1 3.87Å; F276-F306 HydrophobicContact CD1-CD1 3.87Å; F276-F306 AromaticContact CD1-CE1 3.59Å; F276-F306 HydrophobicContact CD1-CE1 3.59Å; F276-F306 HydrophobicContact CD2-CD1 4.29Å; F276-F306 HydrophobicContact CE1-CD1 4.02Å; F276-F306 HydrophobicContact CE1-CE1 4.07Å; F276-F306 HydrophobicContact CE2-CD1 4.44Å; F276-F306 HydrophobicContact CG-CD1 4.01Å; F276-F306 AromaticContact CG-CE1 3.92Å; F276-F306 HydrophobicContact CG-CE1 3.92Å; F276-F306 HydrophobicContact CZ-CD1 4.31Å; S302-F306 WeakPolarHBondContact O-CB 3.44Å; S302-F306 PolarHBondContact O-N 3.08Å; I303-F306 PolarHBondContact O-N 3.43Å; F306-Y308 VanDerWaalsContact C-N 3.35Å; F306-Y308 PolarHBondContact O-N 2.84Å; F306-M309 PolarHBondContact O-N 3.46Å; F306-W310 HydrophobicContact CD1-CB 4.18Å; F306-W310 HydrophobicContact CE1-CB 3.89Å; F306-W310 HydrophobicContact CE1-CG 4.09Å; F306-W310 HydrophobicContact CZ-CB 4.31Å; F306-W310 VanDerWaalsContact O-CB 3.24Å; F306-W310 WeakPolarHBondContact O-CB 3.26Å; F306-W310 PolarHBondContact O-N 3.41Å
307Y96.9Very high94.5Very high7 Ų762.1 Ų62.13%0.02731%0.307CS..Hα-helixtrans-53.4-47.9178.8168.7-109.8000113F276 L280 K285 F287 I303 V304 Q305 W310 K311F276-Y307 HydrophobicContact CE1-CD2 4.41Å; F276-Y307 AromaticContact CZ-CD2 3.86Å; F276-Y307 HydrophobicContact CZ-CD2 3.86Å; F276-Y307 HydrophobicContact CZ-CG 4.3Å; L280-Y307 HydrophobicContact CD1-CD2 4.11Å; L280-Y307 HydrophobicContact CD1-CE2 4.06Å; L280-Y307 HydrophobicContact CD2-CE2 4.39Å; K285-Y307 WeakPolarHBondContact CD-OH 3.13Å; K285-Y307 VanDerWaalsContact CE-OH 3.24Å; K285-Y307 WeakPolarHBondContact CE-OH 3.39Å; F287-Y307 HydrophobicContact CE1-CD1 4.16Å; F287-Y307 AromaticContact CE1-CD2 3.99Å; F287-Y307 HydrophobicContact CE1-CD2 3.99Å; F287-Y307 AromaticContact CE1-CG 3.73Å; F287-Y307 HydrophobicContact CE1-CG 3.73Å; F287-Y307 HydrophobicContact CE2-CD1 4.46Å; F287-Y307 AromaticContact CZ-CD1 3.54Å; F287-Y307 HydrophobicContact CZ-CD1 3.54Å; F287-Y307 HydrophobicContact CZ-CD2 4.04Å; F287-Y307 AromaticContact CZ-CE1 3.85Å; F287-Y307 HydrophobicContact CZ-CE1 3.85Å; F287-Y307 HydrophobicContact CZ-CE2 4.3Å; F287-Y307 AromaticContact CZ-CG 3.61Å; F287-Y307 HydrophobicContact CZ-CG 3.61Å; I303-Y307 WeakPolarHBondContact O-CB 3.45Å; I303-Y307 PolarHBondContact O-N 3.21Å; V304-Y307 WeakPolarHBondContact O-CB 3.23Å; V304-Y307 PolarHBondContact O-N 3.38Å; Q305-Y307 VanDerWaalsContact C-N 3.35Å; Q305-Y307 PolarHBondContact O-N 3.46Å; Y307-W310 PolarHBondContact O-N 2.91Å; Y307-K311 HydrophobicContact CD1-CD 4.29Å; Y307-K311 HydrophobicContact CD2-CD 4.44Å; Y307-K311 HydrophobicContact CD2-CG 4.38Å; Y307-K311 HydrophobicContact CE1-CD 3.71Å; Y307-K311 HydrophobicContact CE2-CD 3.89Å; Y307-K311 HydrophobicContact CE2-CG 4.07Å; Y307-K311 VanDerWaalsContact O-CG 3.31Å; Y307-K311 WeakPolarHBondContact O-CG 3.37Å; Y307-K311 PolarHBondContact O-N 2.96Å
308Y97.1Very high94Very high140 Ų14060.2 Ų60.255%0.54931%0.305SS..Hα-helixtrans-69.7-34.4-177.9-77.4-68.7000112.6V304 Q305 F306V304-Y308 HydrophobicContact CG1-CD2 3.99Å; V304-Y308 HydrophobicContact CG1-CE2 3.75Å; V304-Y308 VanDerWaalsContact O-CD2 3.24Å; V304-Y308 WeakPolarHBondContact O-CD2 3.2Å; V304-Y308 PolarHBondContact O-N 3.43Å; Q305-Y308 PolarHBondContact O-N 3.44Å; F306-Y308 VanDerWaalsContact C-N 3.35Å; F306-Y308 PolarHBondContact O-N 2.84Å
309M94.9Very high93.4Very high50 Ų5061.3 Ų61.325%0.24631%0.311CS..Hα-helixtrans-71.1-45.1173-67-59.8-146.400112R227 D263 M265 Q305 F306 K311 T312R227-M309 PolarHBondContact NH2-SD 3.15Å; D263-M309 WeakPolarHBondContact OD2-CE 3.16Å; M265-M309 HydrophobicContact CB-CB 3.76Å; M265-M309 HydrophobicContact CB-CG 4.35Å; M265-M309 HydrophobicContact CG-CB 4.21Å; M265-M309 HydrophobicContact SD-CB 4.37Å; Q305-M309 PolarHBondContact O-N 3.08Å; F306-M309 PolarHBondContact O-N 3.46Å; M309-K311 PolarHBondContact O-N 3.22Å; M309-T312 PolarHBondContact O-N 3.35Å; M309-T312 PolarHBondContact O-OG1 3.48Å
310W94.4Very high93Very high9 Ų964.5 Ų64.53%0.03432%0.317CS..Hα-helixtrans-59.6-31.8178.4174.787.9000112.2M265 F276 E277 L280 F306 Y307 T312 T313 Y316M265-W310 HydrophobicContact SD-CB 4.22Å; F276-W310 HydrophobicContact CE1-CD2 4.14Å; F276-W310 HydrophobicContact CE1-CE3 4.08Å; F276-W310 HydrophobicContact CE1-CG 4.41Å; E277-W310 HydrophobicContact CG-CZ2 3.71Å; E277-W310 PolarHBondContact OE1-NE1 3.45Å; L280-W310 HydrophobicContact CD2-CE3 4.41Å; L280-W310 HydrophobicContact CD2-CH2 3.72Å; L280-W310 HydrophobicContact CD2-CZ3 3.48Å; L280-W310 VanDerWaalsContact CD2-CZ3 3.48Å; F306-W310 HydrophobicContact CD1-CB 4.18Å; F306-W310 HydrophobicContact CE1-CB 3.89Å; F306-W310 HydrophobicContact CE1-CG 4.09Å; F306-W310 HydrophobicContact CZ-CB 4.31Å; F306-W310 VanDerWaalsContact O-CB 3.24Å; F306-W310 WeakPolarHBondContact O-CB 3.26Å; F306-W310 PolarHBondContact O-N 3.41Å; Y307-W310 PolarHBondContact O-N 2.91Å; W310-T312 PolarHBondContact O-N 3Å; W310-T312 VanDerWaalsContact O-N 3.14Å; W310-T313 VanDerWaalsContact O-CB 3.29Å; W310-T313 WeakPolarHBondContact O-CB 3.42Å; W310-T313 VanDerWaalsContact O-CG2 3.25Å; W310-T313 WeakPolarHBondContact O-CG2 3.49Å; W310-T313 PolarHBondContact O-N 3.41Å; W310-T313 PolarHBondContact O-OG1 3.43Å; W310-Y316 AromaticContact CE3-CD2 3.93Å; W310-Y316 HydrophobicContact CE3-CD2 3.93Å; W310-Y316 HydrophobicContact CE3-CG 4.32Å; W310-Y316 AromaticContact CH2-CD2 3.39Å; W310-Y316 HydrophobicContact CH2-CD2 3.39Å; W310-Y316 HydrophobicContact CH2-CE2 4.15Å; W310-Y316 HydrophobicContact CH2-CG 4.23Å; W310-Y316 HydrophobicContact CZ2-CD2 4.27Å; W310-Y316 AromaticContact CZ3-CD2 3.16Å; W310-Y316 HydrophobicContact CZ3-CD2 3.16Å; W310-Y316 AromaticContact CZ3-CE2 3.67Å; W310-Y316 HydrophobicContact CZ3-CE2 3.67Å; W310-Y316 AromaticContact CZ3-CG 3.96Å; W310-Y316 HydrophobicContact CZ3-CG 3.96Å
311K94.4Very high92.5Very high65 Ų6570.6 Ų70.628%0.28334%0.336SS..THydrogen-bonded Turntrans-62.8-13.8174.3-83.1-178.472.1-153.30115.4Y307 M309 Y316Y307-K311 HydrophobicContact CD1-CD 4.29Å; Y307-K311 HydrophobicContact CD2-CD 4.44Å; Y307-K311 HydrophobicContact CD2-CG 4.38Å; Y307-K311 HydrophobicContact CE1-CD 3.71Å; Y307-K311 HydrophobicContact CE2-CD 3.89Å; Y307-K311 HydrophobicContact CE2-CG 4.07Å; Y307-K311 VanDerWaalsContact O-CG 3.31Å; Y307-K311 WeakPolarHBondContact O-CG 3.37Å; Y307-K311 PolarHBondContact O-N 2.96Å; M309-K311 PolarHBondContact O-N 3.22Å; K311-Y316 HydrophobicContact CB-CD1 4.07Å; K311-Y316 HydrophobicContact CB-CE1 3.94Å; K311-Y316 HydrophobicContact CG-CD1 4.22Å; K311-Y316 HydrophobicContact CG-CE1 3.8Å; K311-Y316 HydrophobicContact CG-CE2 4.15Å; K311-Y316 WeakPolarHBondContact O-CD1 3.23Å; K311-Y316 WeakPolarHBondContact O-CE1 3.39Å
312T92.4Very high92.1Very high93 Ų9373 Ų7357%0.57134%0.338SS*.THydrogen-bonded Turntrans-94.4-5.6174.8670000112.2M309 W310 I317M309-T312 PolarHBondContact O-N 3.35Å; M309-T312 PolarHBondContact O-OG1 3.48Å; W310-T312 PolarHBondContact O-N 3Å; W310-T312 VanDerWaalsContact O-N 3.14Å; T312-I317 WeakPolarHBondContact O-CD1 3.42Å
313T88.8Confident91.5Very high30 Ų3078.3 Ų78.318%0.18436%0.36CS..SBendtrans-65.1145.8177.564.10000111.6M265 W310 R315 Y316 I317M265-T313 HydrophobicContact CE-CG2 3.41Å; M265-T313 VanDerWaalsContact CE-CG2 3.41Å; M265-T313 HydrophobicContact SD-CG2 4.27Å; W310-T313 VanDerWaalsContact O-CB 3.29Å; W310-T313 WeakPolarHBondContact O-CB 3.42Å; W310-T313 VanDerWaalsContact O-CG2 3.25Å; W310-T313 WeakPolarHBondContact O-CG2 3.49Å; W310-T313 PolarHBondContact O-N 3.41Å; W310-T313 PolarHBondContact O-OG1 3.43Å; T313-R315 PolarHBondContact O-N 3.15Å; T313-Y316 PolarHBondContact O-N 3.01Å; T313-Y316 VanDerWaalsContact O-N 3.14Å; T313-Y316 WeakPolarHBondContact OG1-CB 3.37Å; T313-Y316 PolarHBondContact OG1-N 3.36Å; T313-I317 WeakPolarHBondContact O-CG1 3.44Å; T313-I317 PolarHBondContact O-N 2.68Å
314D86.8Confident90.8Very high123 Ų12380.8 Ų80.866%0.65838%0.38SS*.Hα-helixtrans-56.6-38.6175.7-70.6-43.3000111.9Y316 I317 Q318D314-Y316 PolarHBondContact O-N 3.29Å; D314-I317 PolarHBondContact O-N 2.76Å; D314-Q318 WeakPolarHBondContact O-CB 3.31Å; D314-Q318 VanDerWaalsContact O-CG 3.24Å; D314-Q318 WeakPolarHBondContact O-CG 3.43Å; D314-Q318 PolarHBondContact O-N 3.37Å
315R84.8Confident90.3Very high158 Ų15881.5 Ų81.560%0.59639%0.391SS*.Hα-helixtrans-55.8-50176.2-176.8179.1173.1105.3-4111.5E277 T313 Q319E277-R315 VanDerWaalsContact CD-NE 3.34Å; E277-R315 WeakPolarHBondContact OE1-CD 3.49Å; E277-R315 IonicContact OE1-CZ 3.46Å; E277-R315 IonicContact OE1-NE 3.05Å; E277-R315 PolarHBondContact OE1-NE 2.9Å; E277-R315 IonicContact OE2-CZ 2.73Å; E277-R315 IonicContact OE2-NE 2.68Å; E277-R315 PolarHBondContact OE2-NE 3.04Å; E277-R315 IonicContact OE2-NH2 3.76Å; E277-R315 PolarHBondContact OE2-NH2 2.8Å; T313-R315 PolarHBondContact O-N 3.15Å; R315-Q319 WeakPolarHBondContact O-CB 3.49Å; R315-Q319 PolarHBondContact O-N 3.49Å
316Y87.6Confident89.7Confident41 Ų4183.2 Ų83.216%0.16140%0.399CS..Hα-helixtrans-65.7-44.3177174.6-98.3000112.5W310 K311 T313 D314 Q318 Q319 K320W310-Y316 AromaticContact CE3-CD2 3.93Å; W310-Y316 HydrophobicContact CE3-CD2 3.93Å; W310-Y316 HydrophobicContact CE3-CG 4.32Å; W310-Y316 AromaticContact CH2-CD2 3.39Å; W310-Y316 HydrophobicContact CH2-CD2 3.39Å; W310-Y316 HydrophobicContact CH2-CE2 4.15Å; W310-Y316 HydrophobicContact CH2-CG 4.23Å; W310-Y316 HydrophobicContact CZ2-CD2 4.27Å; W310-Y316 AromaticContact CZ3-CD2 3.16Å; W310-Y316 HydrophobicContact CZ3-CD2 3.16Å; W310-Y316 AromaticContact CZ3-CE2 3.67Å; W310-Y316 HydrophobicContact CZ3-CE2 3.67Å; W310-Y316 AromaticContact CZ3-CG 3.96Å; W310-Y316 HydrophobicContact CZ3-CG 3.96Å; K311-Y316 HydrophobicContact CB-CD1 4.07Å; K311-Y316 HydrophobicContact CB-CE1 3.94Å; K311-Y316 HydrophobicContact CG-CD1 4.22Å; K311-Y316 HydrophobicContact CG-CE1 3.8Å; K311-Y316 HydrophobicContact CG-CE2 4.15Å; K311-Y316 WeakPolarHBondContact O-CD1 3.23Å; K311-Y316 WeakPolarHBondContact O-CE1 3.39Å; T313-Y316 PolarHBondContact O-N 3.01Å; T313-Y316 VanDerWaalsContact O-N 3.14Å; T313-Y316 WeakPolarHBondContact OG1-CB 3.37Å; T313-Y316 PolarHBondContact OG1-N 3.36Å; D314-Y316 PolarHBondContact O-N 3.29Å; Y316-Q318 VanDerWaalsContact C-N 3.32Å; Y316-Q318 PolarHBondContact O-N 2.97Å; Y316-Q319 PolarHBondContact O-N 3.28Å; Y316-K320 HydrophobicContact CE1-CD 4.19Å; Y316-K320 WeakPolarHBondContact O-CB 3.3Å; Y316-K320 PolarHBondContact O-N 3.33Å
317I89.8Confident88.8Confident57 Ų5785.5 Ų85.529%0.29242%0.418SS..Hα-helixtrans-61.6-43.7-178.8-66.6169.5000110.3T312 T313 D314 K320 R321T312-I317 WeakPolarHBondContact O-CD1 3.42Å; T313-I317 WeakPolarHBondContact O-CG1 3.44Å; T313-I317 PolarHBondContact O-N 2.68Å; D314-I317 PolarHBondContact O-N 2.76Å; I317-K320 PolarHBondContact O-N 3.49Å; I317-R321 WeakPolarHBondContact O-CG 3.33Å; I317-R321 PolarHBondContact O-N 3.32Å
318Q87.5Confident87.8Confident119 Ų11990.3 Ų90.356%0.55644%0.444SS*.Hα-helixtrans-61.6-48.4174.7-73.1176.83.900111.3D314 Y316 K320 R321 L322D314-Q318 WeakPolarHBondContact O-CB 3.31Å; D314-Q318 VanDerWaalsContact O-CG 3.24Å; D314-Q318 WeakPolarHBondContact O-CG 3.43Å; D314-Q318 PolarHBondContact O-N 3.37Å; Y316-Q318 VanDerWaalsContact C-N 3.32Å; Y316-Q318 PolarHBondContact O-N 2.97Å; Q318-K320 VanDerWaalsContact C-N 3.27Å; Q318-K320 PolarHBondContact O-N 3.32Å; Q318-R321 PolarHBondContact O-N 3.02Å; Q318-R321 VanDerWaalsContact O-N 3.15Å; Q318-L322 WeakPolarHBondContact O-CG 3.4Å; Q318-L322 PolarHBondContact O-N 3.4Å
319Q85.5Confident86.8Confident56 Ų5688.1 Ų88.126%0.26245%0.449SS..Hα-helixtrans-58.1-40.5177.1-164.6-17224.100111.8E281 R315 Y316 L322 K323E281-Q319 PolarHBondContact OE1-NE2 3.45Å; E281-Q319 VanDerWaalsContact OE1-NE2 3.14Å; R315-Q319 WeakPolarHBondContact O-CB 3.49Å; R315-Q319 PolarHBondContact O-N 3.49Å; Y316-Q319 PolarHBondContact O-N 3.28Å; Q319-L322 PolarHBondContact O-N 3.47Å; Q319-K323 WeakPolarHBondContact O-CG 3.37Å; Q319-K323 PolarHBondContact O-N 3.31Å
320K87.6Confident86.3Confident129 Ų12990.3 Ų90.356%0.56146%0.458SS*.Hα-helixtrans-67.3-41.6176.6-171.6-176.2176.7-169.10112.2Y316 I317 Q318 K323 A324Y316-K320 HydrophobicContact CE1-CD 4.19Å; Y316-K320 WeakPolarHBondContact O-CB 3.3Å; Y316-K320 PolarHBondContact O-N 3.33Å; I317-K320 PolarHBondContact O-N 3.49Å; Q318-K320 VanDerWaalsContact C-N 3.27Å; Q318-K320 PolarHBondContact O-N 3.32Å; K320-K323 PolarHBondContact O-N 2.93Å; K320-A324 WeakPolarHBondContact O-CB 3.5Å; K320-A324 PolarHBondContact O-N 3.01Å
321R89.3Confident85.9Confident182 Ų18292.7 Ų92.769%0.68747%0.471SS*.Hα-helixtrans-61.8-43.3175.5-75.5176-178.7175.22.7111.4I317 Q318 A324 A325I317-R321 WeakPolarHBondContact O-CG 3.33Å; I317-R321 PolarHBondContact O-N 3.32Å; Q318-R321 PolarHBondContact O-N 3.02Å; Q318-R321 VanDerWaalsContact O-N 3.15Å; R321-A324 PolarHBondContact O-N 2.6Å; R321-A325 WeakPolarHBondContact O-CB 3.47Å; R321-A325 PolarHBondContact O-N 3.35Å
322L87.8Confident85.7Confident125 Ų12595.7 Ų95.765%0.65448%0.484SS*.Hα-helixtrans-61.6-46.9175.8-69.3171.5000111.6Q318 Q319 A324 A325 E326Q318-L322 WeakPolarHBondContact O-CG 3.4Å; Q318-L322 PolarHBondContact O-N 3.4Å; Q319-L322 PolarHBondContact O-N 3.47Å; L322-A324 VanDerWaalsContact C-N 3.32Å; L322-A324 PolarHBondContact O-N 3.08Å; L322-A325 PolarHBondContact O-N 2.87Å; L322-E326 PolarHBondContact O-N 3.3Å
323K86.1Confident85.7Confident120 Ų12095.3 Ų95.352%0.52248%0.475SS..Hα-helixtrans-62-36.4175.5-74.8178178.1173.20112.9Q319 K320 A327Q319-K323 WeakPolarHBondContact O-CG 3.37Å; Q319-K323 PolarHBondContact O-N 3.31Å; K320-K323 PolarHBondContact O-N 2.93Å; K323-A327 WeakPolarHBondContact O-CB 3.35Å; K323-A327 PolarHBondContact O-N 2.87Å
324A83.8Confident85.9Confident51 Ų5194.7 Ų94.742%0.42147%0.472SS..Hα-helixtrans-68.6-43.3175.700000111.8K320 R321 L322 E326 A327 D328K320-A324 WeakPolarHBondContact O-CB 3.5Å; K320-A324 PolarHBondContact O-N 3.01Å; R321-A324 PolarHBondContact O-N 2.6Å; L322-A324 VanDerWaalsContact C-N 3.32Å; L322-A324 PolarHBondContact O-N 3.08Å; A324-E326 VanDerWaalsContact C-N 3.31Å; A324-E326 PolarHBondContact O-N 3.42Å; A324-A327 PolarHBondContact O-N 2.87Å; A324-A327 VanDerWaalsContact O-N 3.16Å; A324-D328 PolarHBondContact O-N 3.38Å
325A86.3Confident86.1Confident61 Ų6194.4 Ų94.450%0.50446%0.462SS..Hα-helixtrans-61.5-40174.700000111.8R321 L322 D328 S329R321-A325 WeakPolarHBondContact O-CB 3.47Å; R321-A325 PolarHBondContact O-N 3.35Å; L322-A325 PolarHBondContact O-N 2.87Å; A325-D328 PolarHBondContact O-N 2.85Å; A325-S329 PolarHBondContact O-N 2.73Å
326E84.4Confident86.3Confident130 Ų13087.5 Ų87.561%0.60744%0.437SS*.Hα-helixtrans-62.6-42.9173.1-170.8-175.3174.200111.5L322 A324 S329L322-E326 PolarHBondContact O-N 3.3Å; A324-E326 VanDerWaalsContact C-N 3.31Å; A324-E326 PolarHBondContact O-N 3.42Å; E326-S329 WeakPolarHBondContact O-CB 3.42Å; E326-S329 PolarHBondContact O-N 2.89Å; E326-S329 PolarHBondContact O-OG 2.89Å
327A78.5Confident86.3Confident49 Ų4989.8 Ų89.841%0.40546%0.457SS..Hα-helixtrans-65.3-38.1175.800000112.8K323 A324 S329 K330K323-A327 WeakPolarHBondContact O-CB 3.35Å; K323-A327 PolarHBondContact O-N 2.87Å; A324-A327 PolarHBondContact O-N 2.87Å; A324-A327 VanDerWaalsContact O-N 3.16Å; A327-S329 PolarHBondContact O-N 3.15Å; A327-K330 VanDerWaalsContact O-CB 3.25Å; A327-K330 WeakPolarHBondContact O-CB 3.43Å; A327-K330 WeakPolarHBondContact O-CG 3.31Å; A327-K330 PolarHBondContact O-N 3Å; A327-K330 VanDerWaalsContact O-N 3.14Å
328D76.8Confident85.8Confident108 Ų10891.7 Ų91.758%0.57847%0.471SS*.Hα-helixtrans-69.6-23.2175.7-94.1-31.5000113.1A324 A325 K330 K332A324-D328 PolarHBondContact O-N 3.38Å; A325-D328 PolarHBondContact O-N 2.85Å; D328-K330 PolarHBondContact O-N 3.35Å; D328-K332 IonicContact OD1-NZ 3.83Å; D328-K332 PolarHBondContact OD1-NZ 3.45Å
329S76.4Confident84.9Confident94 Ų9491.7 Ų91.766%0.65747%0.467SS*.THydrogen-bonded Turntrans-73-11.9171.881.40000113.6A325 E326 A327A325-S329 PolarHBondContact O-N 2.73Å; E326-S329 WeakPolarHBondContact O-CB 3.42Å; E326-S329 PolarHBondContact O-N 2.89Å; E326-S329 PolarHBondContact O-OG 2.89Å; A327-S329 PolarHBondContact O-N 3.15Å
330K82.9Confident84.1Confident97 Ų9795.1 Ų95.142%0.42249%0.492SS..SBendtrans-68.4148.6176.9-63.3-177.4175.4-170.80111.3E29 A327 D328 K332E29-K330 WeakPolarHBondContact OE1-CD 3.38Å; E29-K330 WeakPolarHBondContact OE1-CE 3.19Å; E29-K330 IonicContact OE1-NZ 3.36Å; E29-K330 PolarHBondContact OE1-NZ 3.35Å; A327-K330 VanDerWaalsContact O-CB 3.25Å; A327-K330 WeakPolarHBondContact O-CB 3.43Å; A327-K330 WeakPolarHBondContact O-CG 3.31Å; A327-K330 PolarHBondContact O-N 3Å; A327-K330 VanDerWaalsContact O-N 3.14Å; D328-K330 PolarHBondContact O-N 3.35Å; K330-K332 PolarHBondContact O-N 3.13Å
331L86.7Confident83.4Confident58 Ų5895.8 Ų95.830%0.30450%0.495SS..BIsolated β-bridgetrans-64.2121.6179.8-72.8173.1000110.6L30 K32 V38L30-L331 HydrophobicContact CB-CB 3.89Å; K32-L331 HydrophobicContact CB-CD1 3.7Å; K32-L331 HydrophobicContact CB-CG 4.42Å; K32-L331 HydrophobicContact CG-CD1 4.35Å; V38-L331 HydrophobicContact CG1-CD1 3.98Å; V38-L331 HydrophobicContact CG2-CD1 3.87Å
332K90.9Very high82.6Confident129 Ų12992.7 Ų92.756%0.56150%0.499SS*.SBendtrans-90.6-21.4174.1-62.3-178-178.1177.90112.5R7 V8 D328 K330R7-K332 WeakPolarHBondContact CA-O 3.4Å; V8-K332 PolarHBondContact N-O 2.85Å; D328-K332 IonicContact OD1-NZ 3.83Å; D328-K332 PolarHBondContact OD1-NZ 3.45Å; K330-K332 PolarHBondContact O-N 3.13Å
333Q91.3Very high82.2Confident84 Ų8488.8 Ų88.839%0.39348%0.478SS..EExtended strand (participates in β ladder)trans-149.3156.7-179.466.6-174.8-1.200112.4M5 Y6 R7M5-Q333 HydrophobicContact SD-CB 4.24Å; M5-Q333 HydrophobicContact SD-CG 4.13Å; Y6-Q333 CarbonylContact O-C 3.57Å; Y6-Q333 WeakPolarHBondContact O-CA 3.43Å; Y6-Q333 WeakPolarHBondContact O-CB 3.48Å; R7-Q333 HydrophobicContact CG-CB 4.02Å
334V92.7Very high82.1Confident17 Ų1787.6 Ų87.610%0.10348%0.483CS..EExtended strand (participates in β ladder)trans-139.6138.5176.563.90000110.7Y6 L30 V38 A99 I336Y6-V334 PolarHBondContact N-O 2.75Å; Y6-V334 PolarHBondContact O-N 2.77Å; L30-V334 HydrophobicContact CD1-CB 4.15Å; L30-V334 HydrophobicContact CD1-CG1 3.86Å; L30-V334 HydrophobicContact CD2-CG1 3.98Å; V38-V334 HydrophobicContact CB-CG2 4.17Å; V38-V334 HydrophobicContact CG1-CB 4.34Å; V38-V334 HydrophobicContact CG1-CG2 4.03Å; V38-V334 HydrophobicContact CG2-CG2 4.1Å; A99-V334 HydrophobicContact CB-CG1 4.44Å; V334-I336 HydrophobicContact CG1-CD1 4.21Å; V334-I336 HydrophobicContact CG1-CG1 4.27Å; V334-I336 HydrophobicContact CG2-CG1 4.3Å
335Y91.9Very high82.1Confident118 Ų11886.6 Ų86.646%0.46347%0.47SS..EExtended strand (participates in β ladder)trans-94.6129170.2178.6-96.7000109.9N4 M5 P337N4-Y335 HydrophobicContact CB-CD2 3.94Å; N4-Y335 HydrophobicContact CB-CE2 3.44Å; N4-Y335 VanDerWaalsContact CB-CE2 3.44Å; N4-Y335 WeakPolarHBondContact O-CA 3.19Å; M5-Y335 HydrophobicContact CE-CD2 4.22Å; Y335-P337 HydrophobicContact CD1-CG 4.38Å; Y335-P337 HydrophobicContact CE1-CG 4.06Å
336I89.8Confident82.1Confident12 Ų1286.8 Ų86.86%0.06246%0.461CS..  trans-120113.7-179.3-57.2170.8000108.9N4 Y6 A99 I102 V334N4-I336 WeakPolarHBondContact CB-O 3.45Å; N4-I336 PolarHBondContact O-N 3.38Å; Y6-I336 HydrophobicContact CD2-CB 4.2Å; Y6-I336 HydrophobicContact CD2-CD1 3.59Å; Y6-I336 HydrophobicContact CD2-CG1 3.95Å; Y6-I336 HydrophobicContact CE2-CB 3.93Å; Y6-I336 HydrophobicContact CE2-CD1 3.86Å; Y6-I336 HydrophobicContact CE2-CG1 4.17Å; Y6-I336 HydrophobicContact CG-CD1 4.32Å; A99-I336 HydrophobicContact CB-CD1 4.22Å; A99-I336 WeakPolarHBondContact O-CD1 3.46Å; I102-I336 HydrophobicContact CB-CD1 3.68Å; I102-I336 HydrophobicContact CD1-CD1 3.74Å; I102-I336 HydrophobicContact CG1-CD1 4.17Å; I102-I336 HydrophobicContact CG2-CD1 4.28Å; V334-I336 HydrophobicContact CG1-CD1 4.21Å; V334-I336 HydrophobicContact CG1-CG1 4.27Å; V334-I336 HydrophobicContact CG2-CG1 4.3Å
337P85.6Confident82.1Confident90 Ų9083.8 Ų83.858%0.58445%0.448SS*.  trans-59.8150176.7-22.432.2000112.8Y335 Y339Y335-P337 HydrophobicContact CD1-CG 4.38Å; Y335-P337 HydrophobicContact CE1-CG 4.06Å; P337-Y339 PolarHBondContact O-N 2.83Å
338T79.3Confident82Confident97 Ų9788.1 Ų88.160%0.59546%0.463SS*.  trans-62.1126.4176.9-53.90000110.7N4 T340N4-T338 PolarHBondContact ND2-OG1 3.23Å; T338-T340 HydrophobicContact CG2-CG2 4.42Å; T338-T340 PolarHBondContact O-N 2.93Å
339Y70.6Confident81.2Confident118 Ų11888.3 Ų88.346%0.46347%0.473SS..  trans-86.4107.7-178.2-168-100.8000110.8R103 P337 K341R103-Y339 VanDerWaalsContact NH1-CG 3.28Å; P337-Y339 PolarHBondContact O-N 2.83Å; Y339-K341 HydrophobicContact CD1-CB 4.2Å; Y339-K341 HydrophobicContact CD1-CG 4.36Å; Y339-K341 HydrophobicContact CE1-CB 3.63Å; Y339-K341 HydrophobicContact CE1-CD 4.06Å; Y339-K341 HydrophobicContact CE1-CG 3.74Å; Y339-K341 HydrophobicContact CE2-CD 4.21Å; Y339-K341 HydrophobicContact CE2-CG 4.12Å; Y339-K341 WeakPolarHBondContact OH-CD 3.36Å; Y339-K341 WeakPolarHBondContact OH-CE 3.48Å; Y339-K341 PolarHBondContact OH-NZ 2.97Å; Y339-K341 VanDerWaalsContact OH-NZ 3.16Å
340T67.2Low79.6Confident129 Ų12990.3 Ų90.379%0.79148%0.481SS*.  trans-103.224.3-173.548.50000114.4T338T338-T340 HydrophobicContact CG2-CG2 4.42Å; T338-T340 PolarHBondContact O-N 2.93Å
341K73.8Confident77.5Confident142 Ų14288.7 Ų88.762%0.61749%0.492SS*.PPolyproline II helixtrans-69.8141.2176.5-65.5-158-165.3164.20111.4Y339 N343Y339-K341 HydrophobicContact CD1-CB 4.2Å; Y339-K341 HydrophobicContact CD1-CG 4.36Å; Y339-K341 HydrophobicContact CE1-CB 3.63Å; Y339-K341 HydrophobicContact CE1-CD 4.06Å; Y339-K341 HydrophobicContact CE1-CG 3.74Å; Y339-K341 HydrophobicContact CE2-CD 4.21Å; Y339-K341 HydrophobicContact CE2-CG 4.12Å; Y339-K341 WeakPolarHBondContact OH-CD 3.36Å; Y339-K341 WeakPolarHBondContact OH-CE 3.48Å; Y339-K341 PolarHBondContact OH-NZ 2.97Å; Y339-K341 VanDerWaalsContact OH-NZ 3.16Å; K341-N343 PolarHBondContact O-N 3.09Å
342P73.1Confident75.3Confident118 Ų11892.2 Ų92.277%0.76652%0.521SS*.PPolyproline II helixtrans-58.2130.917821.5-31000110.7P344P342-P344 WeakPolarHBondContact O-CD 3.44Å
343N79Confident72.5Confident43 Ų4395.4 Ų95.423%0.2354%0.535CS..PPolyproline II helixtrans-75119.7-179.5-179.2-11000108.9K341 N345 Q346 Y379 W395K341-N343 PolarHBondContact O-N 3.09Å; N343-N345 PolarHBondContact O-N 3.36Å; N343-N345 VanDerWaalsContact O-N 3.09Å; N343-N345 PolarHBondContact OD1-N 2.99Å; N343-Q346 HydrophobicContact CB-CB 4.31Å; N343-Q346 VanDerWaalsContact O-CB 3.28Å; N343-Q346 WeakPolarHBondContact O-CB 3.15Å; N343-Q346 PolarHBondContact O-N 3.19Å; N343-Y379 HydrophobicContact CB-CE1 4.35Å; N343-Y379 VanDerWaalsContact ND2-CE1 3.35Å; N343-Y379 WeakPolarHBondContact ND2-CE1 3.49Å; N343-W395 PolarHBondContact ND2-NE1 3.5Å
344P82.6Confident70.1Confident94 Ų9497.8 Ų97.861%0.6156%0.558SS**THydrogen-bonded Turntrans-63.5-19.2-177.626.4-35.7000113.5S18 P342S18-P344 WeakPolarHBondContact OG-CG 3.35Å; P342-P344 WeakPolarHBondContact O-CD 3.44Å
345N84.2Confident67.6Low30 Ų30100.3 Ų100.316%0.1659%0.588CS.*THydrogen-bonded Turntrans-88.1-2.7177.2-59.3-52.5000112.8S18 N343 I347 Y379 A380 W395S18-N345 PolarHBondContact O-ND2 3.07Å; N343-N345 PolarHBondContact O-N 3.36Å; N343-N345 VanDerWaalsContact O-N 3.09Å; N343-N345 PolarHBondContact OD1-N 2.99Å; N345-I347 PolarHBondContact O-N 3.31Å; N345-Y379 CarbonylContact O-C 3.54Å; N345-Y379 WeakPolarHBondContact O-CA 3.32Å; N345-A380 PolarHBondContact O-N 3.24Å; N345-W395 HydrophobicContact CB-CH2 3.57Å; N345-W395 HydrophobicContact CB-CZ2 3.95Å; N345-W395 HydrophobicContact CB-CZ3 4.24Å; N345-W395 WeakPolarHBondContact ND2-CH2 3.39Å
346Q86.2Confident64.8Low66 Ų66103.1 Ų103.131%0.30861%0.607SS.*BIsolated β-bridgetrans-74125.4177.8-172.6174.5-2.800110.4N343 I348 Q377 Y379N343-Q346 HydrophobicContact CB-CB 4.31Å; N343-Q346 VanDerWaalsContact O-CB 3.28Å; N343-Q346 WeakPolarHBondContact O-CB 3.15Å; N343-Q346 PolarHBondContact O-N 3.19Å; Q346-I348 PolarHBondContact O-N 3.44Å; Q346-Q377 VanDerWaalsContact NE2-CD 3.26Å; Q346-Y379 HydrophobicContact CB-CD1 4.08Å; Q346-Y379 HydrophobicContact CB-CE1 3.87Å; Q346-Y379 HydrophobicContact CG-CE1 4.12Å
347I83.9Confident62.2Low67 Ų67110.4 Ų110.434%0.34465%0.646SS.*  trans-82.1108.7178-56.9175.4000107.8N345 S349 W378 A380 R389N345-I347 PolarHBondContact O-N 3.31Å; I347-S349 PolarHBondContact O-N 3.23Å; I347-W378 HydrophobicContact CB-CB 4.21Å; I347-W378 HydrophobicContact CD1-CB 4.12Å; I347-W378 PolarHBondContact N-O 3.4Å; I347-A380 HydrophobicContact CD1-CB 4.4Å; I347-A380 HydrophobicContact CG1-CB 4.31Å; I347-R389 HydrophobicContact CD1-CB 4.28Å
348I77.7Confident59.6Low139 Ų139109.4 Ų109.471%0.71365%0.652SS**  trans-80.7113.8174.9-55.4173.6000107.7Q346 V350Q346-I348 PolarHBondContact O-N 3.44Å; I348-V350 PolarHBondContact O-N 3.38Å; I348-V350 VanDerWaalsContact O-N 3.09Å
349S58.7Low57.3Low112 Ų112109.9 Ų109.978%0.78367%0.666SS**  trans-68.6102.2170.442.20000109.4I347 G351I347-S349 PolarHBondContact O-N 3.23Å; S349-G351 PolarHBondContact O-N 3.47Å
350V43.2Very low55.5Low137 Ų137107.2 Ų107.283%0.8367%0.674SS**  trans-70.9122.8170.4-173.60000107.6I348I348-V350 PolarHBondContact O-N 3.38Å; I348-V350 VanDerWaalsContact O-N 3.09Å
351G40.1Very low54.2Low63 Ų63110.9 Ų110.965%0.64968%0.68SS**  trans-55.7148.9-173.200000114.2S349 K353S349-G351 PolarHBondContact O-N 3.47Å; G351-K353 PolarHBondContact O-N 3.39Å
352S40Very low52.8Low131 Ų131111.9 Ų111.992%0.91669%0.687SS**  trans-51115.7170.8-75.30000111
353K32.8Very low51.3Low197 Ų197116.6 Ų116.686%0.85770%0.695SS**  trans-105.2125.1151.7-75.3-168.3176.3-175.30107.9G351G351-K353 PolarHBondContact O-N 3.39Å
354P40.3Very low50Low133 Ų133117.4 Ų117.486%0.86471%0.714SS**  trans-77.6126.8175.629.9-29.6000109.5
355G40.1Very low49.4Very low71 Ų71116.6 Ų116.673%0.73270%0.704SS**  trans110.581.7168.900000114.4
356M31.9Very low49.5Very low176 Ų176117.6 Ų117.687%0.86771%0.711SS**SBendtrans-179.2136.1132.9-158.362.370.400107.9G358M356-G358 PolarHBondContact O-N 3.36Å
357N36.8Very low49.6Very low166 Ų166114.4 Ų114.489%0.88870%0.696SS**  trans-42.5102.6-174.4-66.8-31.6000113.7
358G30.9Very low49.8Very low69 Ų69113.9 Ų113.971%0.71169%0.692SS**PPolyproline II helixtrans-87.6117.9-17800000112.2M356 G360M356-G358 PolarHBondContact O-N 3.36Å; G358-G360 PolarHBondContact O-N 3.03Å
359A30.8Very low50.3Low106 Ų106107.3 Ų107.388%0.87666%0.659SS**PPolyproline II helixtrans-58.8122151.300000107.7F361A359-F361 PolarHBondContact O-N 3.27Å
360G31.6Very low51.7Low63 Ų63104.7 Ų104.765%0.64964%0.64SS**PPolyproline II helixtrans-65.2123.5-153.200000115.7G358 Q362G358-G360 PolarHBondContact O-N 3.03Å; G360-Q362 PolarHBondContact O-N 2.96Å; G360-Q362 VanDerWaalsContact O-N 3.16Å
361F41Very low53.9Low205 Ų205103.5 Ų103.590%0.89963%0.625SS**  trans-67.899.1147.3-124.1-95.1000106.6A359 K363A359-F361 PolarHBondContact O-N 3.27Å; F361-K363 PolarHBondContact O-N 3.13Å; F361-K363 VanDerWaalsContact O-N 3.13Å
362Q44.9Very low56.1Low164 Ų164102.6 Ų102.677%0.76661%0.607SS**  trans-68.3114.4-173.9-67.5-144.9-5.400111.5G360 G364G360-Q362 PolarHBondContact O-N 2.96Å; G360-Q362 VanDerWaalsContact O-N 3.16Å; Q362-G364 PolarHBondContact O-N 3.1Å
363K40.9Very low58.3Low216 Ų216100.8 Ų100.894%0.93959%0.59SS**THydrogen-bonded Turntrans-53.5113.9155.5-95.5177.1168.2178.20107.8F361F361-K363 PolarHBondContact O-N 3.13Å; F361-K363 VanDerWaalsContact O-N 3.13Å
364G52.3Low60.8Low61 Ų6199 Ų9963%0.62959%0.585SS**THydrogen-bonded Turntrans150.5-10.6168.700000118.1Q362 T366Q362-G364 PolarHBondContact O-N 3.1Å; G364-T366 PolarHBondContact O-N 3.49Å; G364-T366 VanDerWaalsContact O-N 3.12Å
365L69.5Low63Low77 Ų7794.3 Ų94.340%0.40356%0.556SS.*  trans-72.8108.4-175.5-67.8169000111.8R389L365-R389 PolarHBondContact O-NE 2.92Å; L365-R389 PolarHBondContact O-NH2 2.82Å
366T85.6Confident65.2Low50 Ų5095.9 Ų95.931%0.30756%0.562SS.*  trans-75.2163.3174.757.20000111.6G364 E368 H371 T373G364-T366 PolarHBondContact O-N 3.49Å; G364-T366 VanDerWaalsContact O-N 3.12Å; T366-E368 PolarHBondContact O-N 2.81Å; T366-H371 WeakPolarHBondContact CB-O 3.4Å; T366-H371 VanDerWaalsContact CG2-O 3.32Å; T366-H371 WeakPolarHBondContact CG2-O 3.28Å; T366-T373 HydrophobicContact CG2-CG2 3.75Å
367C88.5Confident68Low0 Ų091.5 Ų91.50%054%0.539CS..  trans-61.4131.8169.41770000111S369 C370 H371 T372 W378 C391C367-S369 PolarHBondContact O-N 3.09Å; C367-S369 VanDerWaalsContact O-N 3.1Å; C367-C370 PolarHBondContact O-N 3.48Å; C367-C370 VanDerWaalsContact SG-SG 3.64Å; C367-H371 WeakPolarHBondContact O-CA 3.34Å; C367-H371 PolarHBondContact O-N 3.14Å; C367-T372 HydrophobicContact CB-CG2 3.8Å; C367-T372 PolarHBondContact N-O 2.68Å; C367-W378 HydrophobicContact CB-CH2 4.39Å; C367-W378 HydrophobicContact CB-CZ3 4.04Å; C367-C391 HydrophobicContact CB-CB 4.2Å; C367-C391 PolarHBondContact SG-N 3.39Å
368E88.8Confident70.5Confident55 Ų5585.5 Ų85.526%0.25750%0.504SS..THydrogen-bonded Turntrans-62.8-22.5-177.3-160.359.8-150.700114T366 W381 R389 L390 L404 T408T366-E368 PolarHBondContact O-N 2.81Å; E368-W381 HydrophobicContact CG-CZ3 4.2Å; E368-R389 PolarHBondContact N-O 3.06Å; E368-R389 VanDerWaalsContact N-O 3.1Å; E368-L390 HydrophobicContact CB-CD2 3.95Å; E368-L404 HydrophobicContact CB-CD1 4.29Å; E368-L404 HydrophobicContact CG-CD1 4.15Å; E368-T408 HydrophobicContact CG-CG2 3.92Å; E368-T408 VanDerWaalsContact OE1-CG2 3.29Å; E368-T408 WeakPolarHBondContact OE1-CG2 3.15Å
369S87.4Confident73.3Confident1 Ų183.2 Ų83.21%0.00747%0.474CS..THydrogen-bonded Turntrans-104.9-20.2-175174.50000115.3C367 C394 K405 T406C367-S369 PolarHBondContact O-N 3.09Å; C367-S369 VanDerWaalsContact O-N 3.1Å; S369-C394 VanDerWaalsContact CB-SG 3.57Å; S369-C394 PolarHBondContact OG-SG 3Å; S369-K405 PolarHBondContact OG-N 3.42Å; S369-T406 PolarHBondContact O-OG1 3.42Å
370C89.1Confident76.1Confident58 Ų5880.3 Ų80.339%0.39245%0.45SS..THydrogen-bonded Turntrans-139.32.5-178.366.60000112.9C367 T372 C391 C394C367-C370 PolarHBondContact O-N 3.48Å; C367-C370 VanDerWaalsContact SG-SG 3.64Å; C370-T372 PolarHBondContact O-N 2.99Å; C370-T372 WeakPolarHBondContact SG-CG2 3.27Å; C370-C391 VanDerWaalsContact SG-SG 3.64Å; C370-C394 VanDerWaalsContact SG-SG 3.64Å
371H88Confident78.7Confident112 Ų11280 Ų8052%0.51943%0.429SS..  trans54.314.5-179.4-52.7-65.5000115.5T366 C367T366-H371 WeakPolarHBondContact CB-O 3.4Å; T366-H371 VanDerWaalsContact CG2-O 3.32Å; T366-H371 WeakPolarHBondContact CG2-O 3.28Å; C367-H371 WeakPolarHBondContact O-CA 3.34Å; C367-H371 PolarHBondContact O-N 3.14Å
372T87.3Confident80.5Confident44 Ų4472.8 Ų72.827%0.2741%0.412SS..  trans-63.6144.9173-169.40000110.8C367 C370 Q374 W378 C391C367-T372 HydrophobicContact CB-CG2 3.8Å; C367-T372 PolarHBondContact N-O 2.68Å; C370-T372 PolarHBondContact O-N 2.99Å; C370-T372 WeakPolarHBondContact SG-CG2 3.27Å; T372-Q374 VanDerWaalsContact CG2-O 3.31Å; T372-Q374 WeakPolarHBondContact CG2-O 3.47Å; T372-Q374 PolarHBondContact OG1-N 3.01Å; T372-Q374 VanDerWaalsContact OG1-N 3.13Å; T372-Q374 PolarHBondContact OG1-O 3.21Å; T372-Q374 VanDerWaalsContact OG1-O 3.1Å; T372-W378 HydrophobicContact CG2-CH2 4.46Å; T372-W378 WeakPolarHBondContact O-CH2 3.43Å; T372-C391 HydrophobicContact CG2-CB 3.74Å
373T85.8Confident82.1Confident92 Ų9268.2 Ų68.256%0.56440%0.397SS*.SBendtrans-98.4-5.4169.551.30000112.3T366T366-T373 HydrophobicContact CG2-CG2 3.75Å
374Q86Confident83.4Confident159 Ų15963.8 Ų63.874%0.74339%0.39SS*.  trans-116.8128.7-175.6-58.4-176.324.900110.6T372T372-Q374 VanDerWaalsContact CG2-O 3.31Å; T372-Q374 WeakPolarHBondContact CG2-O 3.47Å; T372-Q374 PolarHBondContact OG1-N 3.01Å; T372-Q374 VanDerWaalsContact OG1-N 3.13Å; T372-Q374 PolarHBondContact OG1-O 3.21Å; T372-Q374 VanDerWaalsContact OG1-O 3.1Å
375S86.5Confident84.4Confident36 Ų3666.4 Ų66.425%0.25239%0.39SS..  trans-160.1142.2174.6-172.70000110Q377 C391 A392S375-Q377 WeakPolarHBondContact CB-O 3.38Å; S375-Q377 PolarHBondContact O-N 3.46Å; S375-Q377 PolarHBondContact OG-N 2.91Å; S375-Q377 PolarHBondContact OG-O 3.46Å; S375-C391 WeakPolarHBondContact OG-CA 3.47Å; S375-C391 WeakPolarHBondContact OG-CB 3.48Å; S375-A392 PolarHBondContact OG-N 3.22Å
376A86.7Confident84.5Confident104 Ų10467.3 Ų67.386%0.8639%0.393SS*.SBendtrans-62.9-33.8174.200000112.3
377Q89.1Confident84Confident83 Ų8371.8 Ų71.839%0.38841%0.41SS..SBendtrans-141.8147.6178-65.8-178.2-13.800110.3Q346 S375 Y379 A392Q346-Q377 VanDerWaalsContact NE2-CD 3.26Å; S375-Q377 WeakPolarHBondContact CB-O 3.38Å; S375-Q377 PolarHBondContact O-N 3.46Å; S375-Q377 PolarHBondContact OG-N 2.91Å; S375-Q377 PolarHBondContact OG-O 3.46Å; Q377-Y379 HydrophobicContact CB-CE2 4.12Å; Q377-Y379 PolarHBondContact OE1-OH 2.9Å; Q377-A392 HydrophobicContact CB-CB 4.45Å; Q377-A392 PolarHBondContact O-N 2.87Å
378W90.1Very high83.9Confident40 Ų4072.9 Ų72.915%0.15242%0.418CS..EExtended strand (participates in β ladder)trans-117.4141.7177.9-69.594.3000110.3I347 C367 T372 R389 C391I347-W378 HydrophobicContact CB-CB 4.21Å; I347-W378 HydrophobicContact CD1-CB 4.12Å; I347-W378 PolarHBondContact N-O 3.4Å; C367-W378 HydrophobicContact CB-CH2 4.39Å; C367-W378 HydrophobicContact CB-CZ3 4.04Å; T372-W378 HydrophobicContact CG2-CH2 4.46Å; T372-W378 WeakPolarHBondContact O-CH2 3.43Å; W378-R389 HydrophobicContact CE3-CB 4.24Å; W378-R389 HydrophobicContact CE3-CG 3.74Å; W378-R389 HydrophobicContact CZ3-CG 3.89Å; W378-C391 HydrophobicContact CZ3-CB 4.34Å
379Y90.1Very high83.9Confident22 Ų2273 Ų739%0.08642%0.416CS..EExtended strand (participates in β ladder)trans-123.6134.1178.8-60.7-87.6000110.9N343 N345 Q346 Q377 R389 L390 A392 W395N343-Y379 HydrophobicContact CB-CE1 4.35Å; N343-Y379 VanDerWaalsContact ND2-CE1 3.35Å; N343-Y379 WeakPolarHBondContact ND2-CE1 3.49Å; N345-Y379 CarbonylContact O-C 3.54Å; N345-Y379 WeakPolarHBondContact O-CA 3.32Å; Q346-Y379 HydrophobicContact CB-CD1 4.08Å; Q346-Y379 HydrophobicContact CB-CE1 3.87Å; Q346-Y379 HydrophobicContact CG-CE1 4.12Å; Q377-Y379 HydrophobicContact CB-CE2 4.12Å; Q377-Y379 PolarHBondContact OE1-OH 2.9Å; Y379-R389 CarbonylContact O-C 3.36Å; Y379-R389 VanDerWaalsContact O-CA 3.24Å; Y379-R389 WeakPolarHBondContact O-CA 3.5Å; Y379-L390 PolarHBondContact N-O 3.03Å; Y379-L390 PolarHBondContact O-N 3.33Å; Y379-A392 HydrophobicContact CE2-CB 4.18Å; Y379-W395 VanDerWaalsContact CB-CD2 3.47Å; Y379-W395 AromaticContact CD1-CD1 3.98Å; Y379-W395 AromaticContact CD1-CD2 3.94Å; Y379-W395 HydrophobicContact CD1-CD2 3.94Å; Y379-W395 AromaticContact CD1-CE2 3.87Å; Y379-W395 HydrophobicContact CD1-CG 4.03Å; Y379-W395 HydrophobicContact CD1-CZ2 4.44Å; Y379-W395 AromaticContact CD1-NE1 3.89Å; Y379-W395 HydrophobicContact CD2-CB 3.41Å; Y379-W395 VanDerWaalsContact CD2-CB 3.41Å; Y379-W395 AromaticContact CD2-CD1 3.78Å; Y379-W395 HydrophobicContact CD2-CD2 4.01Å; Y379-W395 AromaticContact CD2-CG 3.42Å; Y379-W395 HydrophobicContact CD2-CG 3.42Å; Y379-W395 VanDerWaalsContact CD2-CG 3.42Å; Y379-W395 HydrophobicContact CE1-CG 4.47Å; Y379-W395 HydrophobicContact CE2-CB 3.96Å; Y379-W395 AromaticContact CE2-CD1 3.8Å; Y379-W395 AromaticContact CE2-CG 3.89Å; Y379-W395 HydrophobicContact CE2-CG 3.89Å; Y379-W395 HydrophobicContact CG-CB 3.91Å; Y379-W395 AromaticContact CG-CD1 3.85Å; Y379-W395 AromaticContact CG-CD2 3.53Å; Y379-W395 HydrophobicContact CG-CD2 3.53Å; Y379-W395 AromaticContact CG-CE2 3.98Å; Y379-W395 AromaticContact CG-CE3 3.96Å; Y379-W395 HydrophobicContact CG-CE3 3.96Å; Y379-W395 AromaticContact CG-CG 3.47Å; Y379-W395 HydrophobicContact CG-CG 3.47Å; Y379-W395 VanDerWaalsContact CG-CG 3.47Å; Y379-W395 AromaticContact CZ-CD1 3.91Å
380A89.1Confident84Confident44 Ų4473 Ų7336%0.36442%0.416SS..EExtended strand (participates in β ladder)trans-69133.3170.900000109.5N345 I347 W395N345-A380 PolarHBondContact O-N 3.24Å; I347-A380 HydrophobicContact CD1-CB 4.4Å; I347-A380 HydrophobicContact CG1-CB 4.31Å; A380-W395 WeakPolarHBondContact O-CZ3 3.48Å
381W86.9Confident84.2Confident58 Ų5870.4 Ų70.422%0.2240%0.398CS..  trans-135.3136.4-177.817984.9000110E368 C388 L390 W398 L404E368-W381 HydrophobicContact CG-CZ3 4.2Å; W381-C388 HydrophobicContact CE3-CB 3.74Å; W381-C388 HydrophobicContact CZ3-CB 4.3Å; W381-C388 PolarHBondContact N-O 3.1Å; W381-C388 VanDerWaalsContact O-CB 3.31Å; W381-C388 WeakPolarHBondContact O-CB 3.5Å; W381-C388 VanDerWaalsContact O-O 3.12Å; W381-L390 HydrophobicContact CB-CD1 3.99Å; W381-L390 HydrophobicContact CB-CG 3.89Å; W381-L390 HydrophobicContact CD2-CD1 4.32Å; W381-L390 HydrophobicContact CG-CD1 3.7Å; W381-L390 HydrophobicContact CG-CG 4.01Å; W381-W398 AromaticContact CD1-CD2 3.81Å; W381-W398 AromaticContact CD1-CE2 3.71Å; W381-W398 AromaticContact CD1-CZ2 4Å; W381-W398 AromaticContact NE1-CD1 3.44Å; W381-W398 AromaticContact NE1-CD2 3.62Å; W381-W398 AromaticContact NE1-CE2 3.22Å; W381-W398 AromaticContact NE1-CG 3.75Å; W381-W398 AromaticContact NE1-CZ2 3.74Å; W381-W398 AromaticContact NE1-NE1 3.1Å; W381-W398 VanDerWaalsContact NE1-NE1 3.1Å; W381-L404 HydrophobicContact CH2-CD1 3.87Å; W381-L404 HydrophobicContact CH2-CG 4.45Å; W381-L404 HydrophobicContact CZ2-CD1 4.06Å; W381-L404 HydrophobicContact CZ2-CD2 4.27Å; W381-L404 HydrophobicContact CZ2-CG 4.18Å; W381-L404 HydrophobicContact CZ3-CD1 4.27Å
382G78.9Confident84.3Confident52 Ų5266.2 Ų66.254%0.53638%0.383SS..SBendtrans79.6-172.5-178.300000114.7
383P77.3Confident84.5Confident69 Ų6967.4 Ų67.445%0.44839%0.393SS..  trans-60.2142.5-178.9-27.638.4000113.2N385 M386P383-N385 WeakPolarHBondContact CB-OD1 3.46Å; P383-N385 PolarHBondContact O-N 3.46Å; P383-M386 HydrophobicContact CG-SD 4.43Å; P383-M386 PolarHBondContact O-N 3.31Å
384P69.3Low84.8Confident123 Ų12363.1 Ų63.180%0.79937%0.367SS*.G310 helixtrans-57.3-27.6-176.4-25.533.5000114.7M386P384-M386 VanDerWaalsContact C-N 3.31Å; P384-M386 PolarHBondContact O-N 3.12Å
385N72.2Confident85.1Confident115 Ų11556.1 Ų56.162%0.61533%0.334SS*.G310 helixtrans-73.9-17.3179.562.4-47.5000114P383P383-N385 WeakPolarHBondContact CB-OD1 3.46Å; P383-N385 PolarHBondContact O-N 3.46Å
386M71.9Confident85.3Confident96 Ų9658.6 Ų58.647%0.47334%0.343SS..G310 helixtrans-93.5-14.1-179.9-70.4-176.914900113.3P383 P384 C388P383-M386 HydrophobicContact CG-SD 4.43Å; P383-M386 PolarHBondContact O-N 3.31Å; P384-M386 VanDerWaalsContact C-N 3.31Å; P384-M386 PolarHBondContact O-N 3.12Å; M386-C388 PolarHBondContact O-N 2.85Å
387Q75.9Confident85.6Confident145 Ų14554.4 Ų54.468%0.67831%0.305SS*.  trans49.625.7179.4-58.8-175.40.600114.8
388C84.7Confident85.7Confident23 Ų2351.4 Ų51.416%0.15529%0.291CS..  trans-69.1144.3179.2-56.80000110.5W381 M386W381-C388 HydrophobicContact CE3-CB 3.74Å; W381-C388 HydrophobicContact CZ3-CB 4.3Å; W381-C388 PolarHBondContact N-O 3.1Å; W381-C388 VanDerWaalsContact O-CB 3.31Å; W381-C388 WeakPolarHBondContact O-CB 3.5Å; W381-C388 VanDerWaalsContact O-O 3.12Å; M386-C388 PolarHBondContact O-N 2.85Å
389R88.8Confident85.8Confident57 Ų5749.8 Ų49.822%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-137.9149.3-178.769-177-171.4176.74.3113.1I347 L365 E368 W378 Y379I347-R389 HydrophobicContact CD1-CB 4.28Å; L365-R389 PolarHBondContact O-NE 2.92Å; L365-R389 PolarHBondContact O-NH2 2.82Å; E368-R389 PolarHBondContact N-O 3.06Å; E368-R389 VanDerWaalsContact N-O 3.1Å; W378-R389 HydrophobicContact CE3-CB 4.24Å; W378-R389 HydrophobicContact CE3-CG 3.74Å; W378-R389 HydrophobicContact CZ3-CG 3.89Å; Y379-R389 CarbonylContact O-C 3.36Å; Y379-R389 VanDerWaalsContact O-CA 3.24Å; Y379-R389 WeakPolarHBondContact O-CA 3.5Å
390L91Very high86Confident0 Ų050.4 Ų50.40%029%0.287CS..EExtended strand (participates in β ladder)trans-117142.3175.4-61.2178.6000110.5E368 Y379 W381 C394 W395 W398 L404E368-L390 HydrophobicContact CB-CD2 3.95Å; Y379-L390 PolarHBondContact N-O 3.03Å; Y379-L390 PolarHBondContact O-N 3.33Å; W381-L390 HydrophobicContact CB-CD1 3.99Å; W381-L390 HydrophobicContact CB-CG 3.89Å; W381-L390 HydrophobicContact CD2-CD1 4.32Å; W381-L390 HydrophobicContact CG-CD1 3.7Å; W381-L390 HydrophobicContact CG-CG 4.01Å; L390-C394 HydrophobicContact CB-CB 4.26Å; L390-C394 HydrophobicContact CD2-CB 4.27Å; L390-W395 HydrophobicContact CB-CB 4.27Å; L390-W395 HydrophobicContact CD1-CE3 4.25Å; L390-W398 HydrophobicContact CD1-CB 4.05Å; L390-W398 HydrophobicContact CD1-CG 4.34Å; L390-L404 HydrophobicContact CD1-CD2 3.84Å; L390-L404 HydrophobicContact CD2-CD1 4.43Å; L390-L404 HydrophobicContact CD2-CD2 3.87Å
391C92.4Very high86.1Confident4 Ų448.7 Ų48.73%0.02727%0.272CS..EExtended strand (participates in β ladder)trans-67.1166.9164.669.80000110.1C367 C370 T372 S375 W378 S393 C394 W395C367-C391 HydrophobicContact CB-CB 4.2Å; C367-C391 PolarHBondContact SG-N 3.39Å; C370-C391 VanDerWaalsContact SG-SG 3.64Å; T372-C391 HydrophobicContact CG2-CB 3.74Å; S375-C391 WeakPolarHBondContact OG-CA 3.47Å; S375-C391 WeakPolarHBondContact OG-CB 3.48Å; W378-C391 HydrophobicContact CZ3-CB 4.34Å; C391-S393 VanDerWaalsContact C-N 3.35Å; C391-S393 PolarHBondContact O-N 3.5Å; C391-S393 PolarHBondContact SG-OG 3.44Å; C391-S393 VanDerWaalsContact SG-OG 3.32Å; C391-C394 PolarHBondContact O-N 3.42Å; C391-W395 WeakPolarHBondContact O-CB 3.29Å; C391-W395 PolarHBondContact O-N 2.92Å
392A91Very high86.3Confident24 Ų2446.5 Ų46.520%0.19827%0.267CS..Hα-helixtrans-59.7-41.9-17400000113.4S375 Q377 Y379 W395 I396S375-A392 PolarHBondContact OG-N 3.22Å; Q377-A392 HydrophobicContact CB-CB 4.45Å; Q377-A392 PolarHBondContact O-N 2.87Å; Y379-A392 HydrophobicContact CE2-CB 4.18Å; A392-W395 PolarHBondContact O-N 3.36Å; A392-I396 WeakPolarHBondContact O-CG1 3.48Å; A392-I396 PolarHBondContact O-N 3.36Å; A392-I396 VanDerWaalsContact O-N 3.08Å
393S91.5Very high86.8Confident70 Ų7044.6 Ų44.649%0.4925%0.247SC..Hα-helixtrans-68.3-41.8179.259.20000112.5C391 I396 Y397C391-S393 VanDerWaalsContact C-N 3.35Å; C391-S393 PolarHBondContact O-N 3.5Å; C391-S393 PolarHBondContact SG-OG 3.44Å; C391-S393 VanDerWaalsContact SG-OG 3.32Å; S393-I396 PolarHBondContact O-N 3.29Å; S393-Y397 WeakPolarHBondContact O-CB 3.47Å; S393-Y397 PolarHBondContact O-N 2.97Å
394C91.9Very high87.3Confident1 Ų141.6 Ų41.61%0.00723%0.227CC..Hα-helixtrans-70.3-31.4176.1-72.30000112.6S369 C370 L390 C391 W398S369-C394 VanDerWaalsContact CB-SG 3.57Å; S369-C394 PolarHBondContact OG-SG 3Å; C370-C394 VanDerWaalsContact SG-SG 3.64Å; L390-C394 HydrophobicContact CB-CB 4.26Å; L390-C394 HydrophobicContact CD2-CB 4.27Å; C391-C394 PolarHBondContact O-N 3.42Å; C394-W398 VanDerWaalsContact O-CB 3.31Å; C394-W398 WeakPolarHBondContact O-CB 3.29Å; C394-W398 PolarHBondContact O-N 2.82Å
395W91.6Very high88Confident12 Ų1239.4 Ų39.45%0.04521%0.205CC..Hα-helixtrans-63.8-48.5172.1176.4-99.8000111.5N343 N345 Y379 A380 L390 C391 A392 Y397 W398 K399N343-W395 PolarHBondContact ND2-NE1 3.5Å; N345-W395 HydrophobicContact CB-CH2 3.57Å; N345-W395 HydrophobicContact CB-CZ2 3.95Å; N345-W395 HydrophobicContact CB-CZ3 4.24Å; N345-W395 WeakPolarHBondContact ND2-CH2 3.39Å; Y379-W395 VanDerWaalsContact CB-CD2 3.47Å; Y379-W395 AromaticContact CD1-CD1 3.98Å; Y379-W395 AromaticContact CD1-CD2 3.94Å; Y379-W395 HydrophobicContact CD1-CD2 3.94Å; Y379-W395 AromaticContact CD1-CE2 3.87Å; Y379-W395 HydrophobicContact CD1-CG 4.03Å; Y379-W395 HydrophobicContact CD1-CZ2 4.44Å; Y379-W395 AromaticContact CD1-NE1 3.89Å; Y379-W395 HydrophobicContact CD2-CB 3.41Å; Y379-W395 VanDerWaalsContact CD2-CB 3.41Å; Y379-W395 AromaticContact CD2-CD1 3.78Å; Y379-W395 HydrophobicContact CD2-CD2 4.01Å; Y379-W395 AromaticContact CD2-CG 3.42Å; Y379-W395 HydrophobicContact CD2-CG 3.42Å; Y379-W395 VanDerWaalsContact CD2-CG 3.42Å; Y379-W395 HydrophobicContact CE1-CG 4.47Å; Y379-W395 HydrophobicContact CE2-CB 3.96Å; Y379-W395 AromaticContact CE2-CD1 3.8Å; Y379-W395 AromaticContact CE2-CG 3.89Å; Y379-W395 HydrophobicContact CE2-CG 3.89Å; Y379-W395 HydrophobicContact CG-CB 3.91Å; Y379-W395 AromaticContact CG-CD1 3.85Å; Y379-W395 AromaticContact CG-CD2 3.53Å; Y379-W395 HydrophobicContact CG-CD2 3.53Å; Y379-W395 AromaticContact CG-CE2 3.98Å; Y379-W395 AromaticContact CG-CE3 3.96Å; Y379-W395 HydrophobicContact CG-CE3 3.96Å; Y379-W395 AromaticContact CG-CG 3.47Å; Y379-W395 HydrophobicContact CG-CG 3.47Å; Y379-W395 VanDerWaalsContact CG-CG 3.47Å; Y379-W395 AromaticContact CZ-CD1 3.91Å; A380-W395 WeakPolarHBondContact O-CZ3 3.48Å; L390-W395 HydrophobicContact CB-CB 4.27Å; L390-W395 HydrophobicContact CD1-CE3 4.25Å; C391-W395 WeakPolarHBondContact O-CB 3.29Å; C391-W395 PolarHBondContact O-N 2.92Å; A392-W395 PolarHBondContact O-N 3.36Å; W395-Y397 VanDerWaalsContact C-N 3.33Å; W395-Y397 PolarHBondContact O-N 3.48Å; W395-W398 HydrophobicContact CD2-CE3 4.48Å; W395-W398 HydrophobicContact CE3-CE3 4.09Å; W395-W398 HydrophobicContact CE3-CZ3 4.29Å; W395-W398 HydrophobicContact CH2-CE3 4.24Å; W395-W398 HydrophobicContact CH2-CH2 4.46Å; W395-W398 AromaticContact CH2-CZ3 3.62Å; W395-W398 HydrophobicContact CH2-CZ3 3.62Å; W395-W398 HydrophobicContact CZ2-CZ3 4.12Å; W395-W398 AromaticContact CZ3-CE3 3.97Å; W395-W398 HydrophobicContact CZ3-CE3 3.97Å; W395-W398 AromaticContact CZ3-CZ3 3.73Å; W395-W398 HydrophobicContact CZ3-CZ3 3.73Å; W395-W398 PolarHBondContact O-N 3.42Å; W395-K399 HydrophobicContact CZ2-CD 4.12Å; W395-K399 HydrophobicContact CZ2-CG 4.35Å; W395-K399 WeakPolarHBondContact O-CG 3.38Å; W395-K399 PolarHBondContact O-N 3.09Å
396I91.2Very high88.4Confident88 Ų8835.5 Ų35.545%0.45119%0.186SC..Hα-helixtrans-61.7-43.8176.8-66.8165.8000110.4A392 S393 K399 K400A392-I396 WeakPolarHBondContact O-CG1 3.48Å; A392-I396 PolarHBondContact O-N 3.36Å; A392-I396 VanDerWaalsContact O-N 3.08Å; S393-I396 PolarHBondContact O-N 3.29Å; I396-K399 PolarHBondContact O-N 3.44Å; I396-K400 HydrophobicContact CG2-CD 3.98Å; I396-K400 HydrophobicContact CG2-CG 4.5Å; I396-K400 WeakPolarHBondContact O-CG 3.44Å; I396-K400 PolarHBondContact O-N 2.85Å
397Y92.2Very high88.5Confident17 Ų1735 Ų357%0.06719%0.189CC..Hα-helixtrans-57.8-50.8175.5-176-86.5000111.3S393 W395 K399 K400 Y401 G403 K405S393-Y397 WeakPolarHBondContact O-CB 3.47Å; S393-Y397 PolarHBondContact O-N 2.97Å; W395-Y397 VanDerWaalsContact C-N 3.33Å; W395-Y397 PolarHBondContact O-N 3.48Å; Y397-K399 VanDerWaalsContact C-N 3.3Å; Y397-K399 PolarHBondContact O-N 3.34Å; Y397-K400 PolarHBondContact O-N 3.22Å; Y397-K400 VanDerWaalsContact O-N 3.16Å; Y397-Y401 HydrophobicContact CD1-CD2 4.12Å; Y397-Y401 AromaticContact CD2-CD2 3.34Å; Y397-Y401 HydrophobicContact CD2-CD2 3.34Å; Y397-Y401 AromaticContact CD2-CE2 3.56Å; Y397-Y401 HydrophobicContact CD2-CE2 3.56Å; Y397-Y401 HydrophobicContact CD2-CG 4.42Å; Y397-Y401 HydrophobicContact CE1-CD2 4.15Å; Y397-Y401 HydrophobicContact CE1-CG 4.47Å; Y397-Y401 AromaticContact CE2-CD2 3.39Å; Y397-Y401 HydrophobicContact CE2-CD2 3.39Å; Y397-Y401 AromaticContact CE2-CE2 3.69Å; Y397-Y401 HydrophobicContact CE2-CE2 3.69Å; Y397-Y401 HydrophobicContact CE2-CG 4.12Å; Y397-Y401 AromaticContact CG-CD2 3.73Å; Y397-Y401 HydrophobicContact CG-CD2 3.73Å; Y397-Y401 HydrophobicContact CG-CE2 4.3Å; Y397-Y401 AromaticContact CZ-CD2 3.8Å; Y397-Y401 WeakPolarHBondContact O-CB 3.39Å; Y397-Y401 VanDerWaalsContact O-CD2 3.24Å; Y397-Y401 WeakPolarHBondContact O-CD2 3.48Å; Y397-Y401 PolarHBondContact O-N 3.29Å; Y397-G403 VanDerWaalsContact CD1-O 3.3Å; Y397-G403 WeakPolarHBondContact CD1-O 3.46Å; Y397-G403 WeakPolarHBondContact CE1-O 3.32Å; Y397-K405 HydrophobicContact CD1-CG 3.63Å; Y397-K405 HydrophobicContact CD2-CD 4.21Å; Y397-K405 HydrophobicContact CD2-CG 3.84Å; Y397-K405 HydrophobicContact CE1-CB 4.43Å; Y397-K405 HydrophobicContact CE1-CG 3.63Å; Y397-K405 HydrophobicContact CE2-CD 4.43Å; Y397-K405 HydrophobicContact CE2-CG 3.82Å; Y397-K405 HydrophobicContact CG-CD 4.33Å; Y397-K405 HydrophobicContact CG-CG 3.74Å
398W92.2Very high88Confident20 Ų2028.8 Ų28.88%0.07616%0.162CC..Hα-helixtrans-60.9-38.4177.6173.879.7000112.2S19 P21 W381 L390 C394 W395 G402 L404S19-W398 WeakPolarHBondContact O-CH2 3.4Å; P21-W398 HydrophobicContact CG-CD2 4.35Å; P21-W398 HydrophobicContact CG-CH2 4.25Å; P21-W398 HydrophobicContact CG-CZ2 3.73Å; W381-W398 AromaticContact CD1-CD2 3.81Å; W381-W398 AromaticContact CD1-CE2 3.71Å; W381-W398 AromaticContact CD1-CZ2 4Å; W381-W398 AromaticContact NE1-CD1 3.44Å; W381-W398 AromaticContact NE1-CD2 3.62Å; W381-W398 AromaticContact NE1-CE2 3.22Å; W381-W398 AromaticContact NE1-CG 3.75Å; W381-W398 AromaticContact NE1-CZ2 3.74Å; W381-W398 AromaticContact NE1-NE1 3.1Å; W381-W398 VanDerWaalsContact NE1-NE1 3.1Å; L390-W398 HydrophobicContact CD1-CB 4.05Å; L390-W398 HydrophobicContact CD1-CG 4.34Å; C394-W398 VanDerWaalsContact O-CB 3.31Å; C394-W398 WeakPolarHBondContact O-CB 3.29Å; C394-W398 PolarHBondContact O-N 2.82Å; W395-W398 HydrophobicContact CD2-CE3 4.48Å; W395-W398 HydrophobicContact CE3-CE3 4.09Å; W395-W398 HydrophobicContact CE3-CZ3 4.29Å; W395-W398 HydrophobicContact CH2-CE3 4.24Å; W395-W398 HydrophobicContact CH2-CH2 4.46Å; W395-W398 AromaticContact CH2-CZ3 3.62Å; W395-W398 HydrophobicContact CH2-CZ3 3.62Å; W395-W398 HydrophobicContact CZ2-CZ3 4.12Å; W395-W398 AromaticContact CZ3-CE3 3.97Å; W395-W398 HydrophobicContact CZ3-CE3 3.97Å; W395-W398 AromaticContact CZ3-CZ3 3.73Å; W395-W398 HydrophobicContact CZ3-CZ3 3.73Å; W395-W398 PolarHBondContact O-N 3.42Å; W398-G402 WeakPolarHBondContact O-CA 3.28Å; W398-G402 PolarHBondContact O-N 3.46Å; W398-L404 HydrophobicContact CB-CD2 4.16Å; W398-L404 HydrophobicContact CG-CD2 4.33Å
399K92.4Very high86.4Confident5 Ų537.1 Ų37.12%0.02220%0.198CC..Hα-helixtrans-62.2-43.8174.6-75.2-71.2-66.6-167.30111.8E15 S17 S18 N20 P21 Y22 W395 I396 Y397E15-K399 IonicContact OE1-NZ 2.88Å; E15-K399 PolarHBondContact OE1-NZ 3.06Å; S17-K399 PolarHBondContact O-NZ 3.16Å; S18-K399 PolarHBondContact O-NZ 3.27Å; S18-K399 VanDerWaalsContact O-NZ 3.13Å; N20-K399 WeakPolarHBondContact O-CE 3.38Å; N20-K399 PolarHBondContact O-NZ 2.88Å; P21-K399 CarbonylContact C-O 3.57Å; P21-K399 WeakPolarHBondContact CA-O 3.2Å; Y22-K399 WeakPolarHBondContact CB-O 3.34Å; Y22-K399 HydrophobicContact CD2-CB 4.1Å; Y22-K399 HydrophobicContact CE2-CB 3.83Å; Y22-K399 PolarHBondContact N-O 3.1Å; W395-K399 HydrophobicContact CZ2-CD 4.12Å; W395-K399 HydrophobicContact CZ2-CG 4.35Å; W395-K399 WeakPolarHBondContact O-CG 3.38Å; W395-K399 PolarHBondContact O-N 3.09Å; I396-K399 PolarHBondContact O-N 3.44Å; Y397-K399 VanDerWaalsContact C-N 3.3Å; Y397-K399 PolarHBondContact O-N 3.34Å
400K93.3Very high84.5Confident35 Ų3541 Ų4115%0.15222%0.223CC..Hα-helixtrans-77.3-39.2-177-73.6176.5162.8-162.60113.9Y13 Y22 R47 D125 I396 Y397Y13-K400 HydrophobicContact CE1-CB 4.37Å; Y13-K400 HydrophobicContact CE2-CD 4.24Å; Y13-K400 HydrophobicContact CE2-CG 3.94Å; Y22-K400 HydrophobicContact CD2-CG 4.27Å; Y22-K400 HydrophobicContact CE2-CG 4.45Å; R47-K400 PolarHBondContact NH2-O 3.16Å; D125-K400 WeakPolarHBondContact OD1-CD 3.31Å; D125-K400 WeakPolarHBondContact OD1-CE 3.24Å; D125-K400 IonicContact OD1-NZ 2.68Å; D125-K400 PolarHBondContact OD1-NZ 3.43Å; D125-K400 IonicContact OD2-NZ 3.45Å; D125-K400 PolarHBondContact OD2-NZ 2.99Å; I396-K400 HydrophobicContact CG2-CD 3.98Å; I396-K400 HydrophobicContact CG2-CG 4.5Å; I396-K400 WeakPolarHBondContact O-CG 3.44Å; I396-K400 PolarHBondContact O-N 2.85Å; Y397-K400 PolarHBondContact O-N 3.22Å; Y397-K400 VanDerWaalsContact O-N 3.16Å
401Y92.2Very high82.2Confident9 Ų947.6 Ų47.64%0.03525%0.253CS..Hα-helixtrans-110.3-15.4-169.9-57.9-72.6000113.6R47 R86 D125 F127 Y397 G403R47-Y401 PolarHBondContact NE-O 3.36Å; R86-Y401 VanDerWaalsContact CD-CE1 3.41Å; R86-Y401 VanDerWaalsContact NE-CE1 3.28Å; D125-Y401 PolarHBondContact N-OH 3.3Å; F127-Y401 AromaticContact CE1-CD1 3.55Å; F127-Y401 HydrophobicContact CE1-CD1 3.55Å; F127-Y401 AromaticContact CE1-CE1 3.91Å; F127-Y401 HydrophobicContact CE1-CE1 3.91Å; F127-Y401 HydrophobicContact CE2-CE1 4.39Å; F127-Y401 AromaticContact CZ-CD1 3.61Å; F127-Y401 HydrophobicContact CZ-CD1 3.61Å; F127-Y401 AromaticContact CZ-CE1 3.66Å; F127-Y401 HydrophobicContact CZ-CE1 3.66Å; Y397-Y401 HydrophobicContact CD1-CD2 4.12Å; Y397-Y401 AromaticContact CD2-CD2 3.34Å; Y397-Y401 HydrophobicContact CD2-CD2 3.34Å; Y397-Y401 AromaticContact CD2-CE2 3.56Å; Y397-Y401 HydrophobicContact CD2-CE2 3.56Å; Y397-Y401 HydrophobicContact CD2-CG 4.42Å; Y397-Y401 HydrophobicContact CE1-CD2 4.15Å; Y397-Y401 HydrophobicContact CE1-CG 4.47Å; Y397-Y401 AromaticContact CE2-CD2 3.39Å; Y397-Y401 HydrophobicContact CE2-CD2 3.39Å; Y397-Y401 AromaticContact CE2-CE2 3.69Å; Y397-Y401 HydrophobicContact CE2-CE2 3.69Å; Y397-Y401 HydrophobicContact CE2-CG 4.12Å; Y397-Y401 AromaticContact CG-CD2 3.73Å; Y397-Y401 HydrophobicContact CG-CD2 3.73Å; Y397-Y401 HydrophobicContact CG-CE2 4.3Å; Y397-Y401 AromaticContact CZ-CD2 3.8Å; Y397-Y401 WeakPolarHBondContact O-CB 3.39Å; Y397-Y401 VanDerWaalsContact O-CD2 3.24Å; Y397-Y401 WeakPolarHBondContact O-CD2 3.48Å; Y397-Y401 PolarHBondContact O-N 3.29Å; Y401-G403 VanDerWaalsContact C-N 3.28Å; Y401-G403 PolarHBondContact O-N 3.26Å
402G89.6Confident79.5Confident12 Ų1249.7 Ų49.712%0.12428%0.276CS..SBendtrans79.22.9174.300000116W398W398-G402 WeakPolarHBondContact O-CA 3.28Å; W398-G402 PolarHBondContact O-N 3.46Å
403G89.2Confident76.5Confident11 Ų1153.4 Ų53.411%0.11331%0.306CS..SBendtrans-139.4171.4176.900000112.2Y397 Y401Y397-G403 VanDerWaalsContact CD1-O 3.3Å; Y397-G403 WeakPolarHBondContact CD1-O 3.46Å; Y397-G403 WeakPolarHBondContact CE1-O 3.32Å; Y401-G403 VanDerWaalsContact C-N 3.28Å; Y401-G403 PolarHBondContact O-N 3.26Å
404L89.1Confident73.7Confident6 Ų656.5 Ų56.53%0.03132%0.322CS..  trans-90.7153.6176.2-58.9-171.6000111.1H81 H85 E368 W381 L390 W398 T406H81-L404 PolarHBondContact NE2-O 2.94Å; H85-L404 PolarHBondContact NE2-O 3.22Å; E368-L404 HydrophobicContact CB-CD1 4.29Å; E368-L404 HydrophobicContact CG-CD1 4.15Å; W381-L404 HydrophobicContact CH2-CD1 3.87Å; W381-L404 HydrophobicContact CH2-CG 4.45Å; W381-L404 HydrophobicContact CZ2-CD1 4.06Å; W381-L404 HydrophobicContact CZ2-CD2 4.27Å; W381-L404 HydrophobicContact CZ2-CG 4.18Å; W381-L404 HydrophobicContact CZ3-CD1 4.27Å; L390-L404 HydrophobicContact CD1-CD2 3.84Å; L390-L404 HydrophobicContact CD2-CD1 4.43Å; L390-L404 HydrophobicContact CD2-CD2 3.87Å; W398-L404 HydrophobicContact CB-CD2 4.16Å; W398-L404 HydrophobicContact CG-CD2 4.33Å; L404-T406 VanDerWaalsContact C-N 3.27Å; L404-T406 WeakPolarHBondContact CB-O 3.35Å; L404-T406 PolarHBondContact O-N 3.12Å
405K83.8Confident70.8Confident77 Ų7768 Ų6834%0.33537%0.366SS..SBendtrans-65.1-32.1-177.8-70-173.6175.5-172.50112.8Q82 S369 Y397Q82-K405 PolarHBondContact NE2-O 3.22Å; S369-K405 PolarHBondContact OG-N 3.42Å; Y397-K405 HydrophobicContact CD1-CG 3.63Å; Y397-K405 HydrophobicContact CD2-CD 4.21Å; Y397-K405 HydrophobicContact CD2-CG 3.84Å; Y397-K405 HydrophobicContact CE1-CB 4.43Å; Y397-K405 HydrophobicContact CE1-CG 3.63Å; Y397-K405 HydrophobicContact CE2-CD 4.43Å; Y397-K405 HydrophobicContact CE2-CG 3.82Å; Y397-K405 HydrophobicContact CG-CD 4.33Å; Y397-K405 HydrophobicContact CG-CG 3.74Å
406T80.6Confident67.8Low34 Ų3470.8 Ų70.821%0.20940%0.399CS..SBendtrans-112.8147.6173.453.60000109.5S369 L404S369-T406 PolarHBondContact O-OG1 3.42Å; L404-T406 VanDerWaalsContact C-N 3.27Å; L404-T406 WeakPolarHBondContact CB-O 3.35Å; L404-T406 PolarHBondContact O-N 3.12Å
407P73.3Confident64.9Low84 Ų8473.3 Ų73.355%0.54542%0.418SS..  trans-61.5137.7172.3-19.932000110.7
408T66.1Low61.9Low16 Ų1679.3 Ų79.310%0.09846%0.457CS..  trans-87.2149.6175-32.30000109E368 L410 E411E368-T408 HydrophobicContact CG-CG2 3.92Å; E368-T408 VanDerWaalsContact OE1-CG2 3.29Å; E368-T408 WeakPolarHBondContact OE1-CG2 3.15Å; T408-L410 PolarHBondContact O-N 2.84Å; T408-E411 PolarHBondContact O-N 2.61Å
409Q51.4Low58.9Low198 Ų19885.7 Ų85.793%0.92549%0.487SS*.G310 helixtrans-58.2-21.2177.6-66.6-168.122.200113.6E411Q409-E411 VanDerWaalsContact C-N 3.32Å; Q409-E411 PolarHBondContact O-N 3.1Å
410L49.3Very low56.1Low139 Ų13991 Ų9173%0.72852%0.522SS*.G310 helixtrans-71.8-17.5174-90.8138.8000114.7T408T408-L410 PolarHBondContact O-N 2.84Å
411E41.2Very low52.9Low137 Ų13796.6 Ų96.664%0.6455%0.549SS*.G310 helixtrans-94.4-8.2-174.7-127.3173.4178.600113.2T408 Q409T408-E411 PolarHBondContact O-N 2.61Å; Q409-E411 VanDerWaalsContact C-N 3.32Å; Q409-E411 PolarHBondContact O-N 3.1Å
412G35.9Very low49.9Very low49 Ų49102.4 Ų102.451%0.50559%0.59SS.*  trans-131.838.7-163.800000116.9T414G412-T414 PolarHBondContact O-N 3.03Å
413A28.6Very low46.9Very low101 Ų101113.7 Ų113.784%0.83563%0.629SS**  trans-79.963.6172.300000112.5
414T31.9Very low43.9Very low135 Ų135117 Ų11783%0.82866%0.663SS**  trans-14086.2154.248.70000107.7G412G412-T414 PolarHBondContact O-N 3.03Å
415R32Very low41Very low243 Ų243125.2 Ų125.292%0.91770%0.701SS**  trans-118.6123.7161.7-82.5-170.2163.4-176.1-4.1109.3
416G27.8Very low38.3Very low71 Ų71129 Ų12973%0.73272%0.724SS**  trans-61.4147.617400000111.4T418G416-T418 PolarHBondContact O-N 3.24Å
417T30.7Very low35.8Very low141 Ų141132.8 Ų132.887%0.86575%0.752SS**  trans-44.6121.6170.743.20000113
418T28.7Very low33.7Very low142 Ų142138 Ų13887%0.87176%0.761SS**  trans-158.5109.2139.727.80000108.1G416G416-T418 PolarHBondContact O-N 3.24Å
419E29Very low32.1Very low155 Ų155143.4 Ų143.472%0.72480%0.796SS**  trans-72.4155.4165.5-86.2-78.5149.400109.6H421E419-H421 PolarHBondContact OE2-N 3.43Å
420P33.8Very low30.9Very low115 Ų115141.2 Ų141.275%0.74779%0.786SS**  -144.4129.985.332.6-12.4000116.8
421H26.6Very low29.8Very low154 Ų154139.5 Ų139.571%0.71379%0.792SS**  trans48.3120.9131.6-69.2-47.8000121.4E419E419-H421 PolarHBondContact OE2-N 3.43Å
422S28.5Very low29.3Very low130 Ų130141.7 Ų141.791%0.90980%0.802SS**  -156.8134.1123.3-79.10000111.6
423R28.1Very low29Very low249 Ų249145.1 Ų145.194%0.9482%0.818SS**  trans-79144.9-170-74173.8166.2155.3-4.9113.3
424G25.8Very low28.9Very low81 Ų81148 Ų14884%0.83582%0.819SS**  trans-159.2106.1158.200000109.7
425H27.5Very low28.7Very low179 Ų179147 Ų14783%0.82982%0.817SS**  trans-88.7141.3-174.8-142-89.2000109.9
426L27.9Very low28.7Very low155 Ų155140.5 Ų140.581%0.81281%0.806SS**  171.7134.5126.4-89155.2000113.8
427S27.4Very low28.8Very low114 Ų114146.9 Ų146.980%0.79781%0.81SS**  trans76.2108.1153.618.60000121.6
428R29.4Very low28.8Very low194 Ų194146.5 Ų146.573%0.73281%0.807SS**  trans-93.1153.4156-167-177.7155.7150.4-14.5107.9E430R428-E430 IonicContact CZ-OE1 2.83Å; R428-E430 IonicContact NH2-OE1 2.85Å; R428-E430 PolarHBondContact NH2-OE1 3.01Å
429P33.7Very low29.1Very low129 Ų129146 Ų14684%0.83881%0.805SS**  -132.7167.299.317.24000113.4
430E25.8Very low29.2Very low153 Ų153144.5 Ų144.572%0.71581%0.811SS**  trans-64.6138-165.7-68.9171.9138.300116.2R428R428-E430 IonicContact CZ-OE1 2.83Å; R428-E430 IonicContact NH2-OE1 2.85Å; R428-E430 PolarHBondContact NH2-OE1 3.01Å
431A26.2Very low29.3Very low102 Ų102143 Ų14384%0.84381%0.809SS**  trans-152.2143.915100000111.3
432Q29Very low29.6Very low184 Ų184142.3 Ų142.386%0.8681%0.81SS**  trans-50138.5-170-70.9141-11.200115.9L434Q432-L434 PolarHBondContact O-N 2.9Å
433S29.9Very low29.8Very low120 Ų120147.9 Ų147.984%0.83981%0.811SS**  trans-68.2104.6169.656.80000111.9
434L27.7Very low30.1Very low162 Ų162140.9 Ų140.985%0.84881%0.806SS**  trans-140.4102.5159.2-83.4164000107.7Q432Q432-L434 PolarHBondContact O-N 2.9Å
435S26.5Very low30.6Very low113 Ų113145.3 Ų145.379%0.7980%0.803SS**  trans-100.6120.6170.71750000109.4
436P32Very low31.1Very low107 Ų107144.7 Ų144.770%0.69580%0.804SS**  trans-110.989.8169.235.2-21000109.8
437Y30.1Very low31.9Very low205 Ų205145.8 Ų145.880%0.80481%0.81SS**  trans-121.6103.2153.9-89.6-79.8000109.3
438T30.3Very low32.4Very low133 Ų133145.1 Ų145.182%0.81681%0.812SS**  trans-76.4125.417350.80000108.8
439T34.9Very low32.9Very low132 Ų132145.6 Ų145.681%0.8182%0.819SS**  trans-64.6132.1168.424.20000109.9A441T439-A441 VanDerWaalsContact C-N 3.28Å; T439-A441 PolarHBondContact O-N 2.93Å
440S32.6Very low33.4Very low124 Ų124146.9 Ų146.987%0.86782%0.819SS**  trans-71.976.3-179.457.60000111.7
441A35.8Very low34.5Very low84 Ų84151.2 Ų151.269%0.69483%0.829SS**  trans-101.631.5170.100000112.2T439T439-A441 VanDerWaalsContact C-N 3.28Å; T439-A441 PolarHBondContact O-N 2.93Å
442N31.5Very low36.4Very low138 Ų138155.1 Ų155.174%0.73883%0.83SS**  trans-122.862.2-174.5-84.1-33.7000112.9
443R34.2Very low38.4Very low248 Ų248153.3 Ų153.394%0.93683%0.831SS**SBendtrans-137.717.9160.2-142.7179.1179.6156.20.7115.3
444A33.3Very low40.8Very low101 Ų101155.6 Ų155.684%0.83583%0.826SS**  trans-112.759.7164.400000109.7
445K37.7Very low43.4Very low175 Ų175155.8 Ų155.876%0.76183%0.827SS**  trans-109.486165-94.5-175.7-179.2172.40108.1
446L37.7Very low46.1Very low165 Ų165156.7 Ų156.786%0.86482%0.823SS**SBendtrans-160.9119.2143.2-94.1157.1000104.5
447L43.3Very low48.7Very low178 Ų178159.9 Ų159.993%0.93283%0.828SS**SBendtrans103.515.1172.8-52.6174.6000121.8
448A38.4Very low51.3Low100 Ų100152.6 Ų152.683%0.82681%0.805SS**  trans-142.773.3167.800000113.8
449K41.3Very low54.1Low204 Ų204150.1 Ų150.189%0.88779%0.79SS**  trans-79.8133.4160.2-86.2-179.4174.9177.50108.7
450N42.9Very low56.5Low156 Ų156152 Ų15283%0.83479%0.787SS**  trans88.251.5170.2-61.3-50.9000119.5
451R50.2Low59.1Low244 Ų244150.8 Ų150.892%0.92177%0.77SS**  trans-133.1100148.1-69.7-169.4174.2-162.5-1.5110.2
452Q64.8Low61.5Low185 Ų185150 Ų15086%0.86476%0.757SS**  trans-80.6126.7166.3-78.6177.1-17.500108.6
453T71Confident64.1Low145 Ų145149.4 Ų149.489%0.8974%0.744SS**  trans-79.5128171.6500000109.4
454F80.4Confident66.5Low169 Ų169140.6 Ų140.674%0.74172%0.715SS**  trans-139.6152.9175.170.6-83000111.2L456F454-L456 HydrophobicContact CD2-CB 4.13Å; F454-L456 HydrophobicContact CE2-CB 3.87Å
455L82.4Confident69Low166 Ų166136.4 Ų136.487%0.86968%0.68SS**  trans-104.8126.8171.9179.969.2000108.7
456L83.6Confident71.4Confident132 Ų132133.2 Ų133.269%0.69166%0.664SS**  trans-116.4106.8177.4-178.369.2000111.1F454 T458F454-L456 HydrophobicContact CD2-CB 4.13Å; F454-L456 HydrophobicContact CE2-CB 3.87Å; L456-T458 HydrophobicContact CD2-CG2 4.46Å; L456-T458 HydrophobicContact CG-CG2 4.37Å
457Q86.3Confident73.6Confident173 Ų173133 Ų13381%0.80865%0.652SS**  trans-105.7106.6170.1-173.6173.8-9.700109.7T459Q457-T459 PolarHBondContact O-N 3.38Å
458T83.9Confident75.4Confident53 Ų53125.3 Ų125.333%0.32561%0.611SS.*  trans-73.1131.5-177.364.40000111.8L456 R466L456-T458 HydrophobicContact CD2-CG2 4.46Å; L456-T458 HydrophobicContact CG-CG2 4.37Å; T458-R466 PolarHBondContact OG1-NH2 3.09Å
459T89.8Confident77.7Confident81 Ų81120.5 Ų120.550%0.49757%0.571SS.*  trans-66.7161.4177.470.30000112.1Q457 L461 T462 R463Q457-T459 PolarHBondContact O-N 3.38Å; T459-L461 VanDerWaalsContact C-N 3.29Å; T459-L461 PolarHBondContact O-N 3.01Å; T459-T462 PolarHBondContact O-N 3.46Å; T459-T462 PolarHBondContact OG1-N 3.26Å; T459-T462 VanDerWaalsContact OG1-N 3.17Å; T459-T462 PolarHBondContact OG1-OG1 2.97Å; T459-R463 PolarHBondContact O-N 3.43Å; T459-R463 VanDerWaalsContact O-N 3.11Å
460K85.8Confident79.7Confident171 Ų171117.5 Ų117.574%0.74355%0.554SS**Hα-helixtrans-58.9-41.4173.9-72.6177.1-179178.70111.4R463 L464K460-R463 WeakPolarHBondContact O-CB 3.29Å; K460-R463 PolarHBondContact O-N 3.17Å; K460-L464 PolarHBondContact O-N 3.19Å
461L86.3Confident81.7Confident99 Ų99113.9 Ų113.952%0.51854%0.535SS..Hα-helixtrans-61.5-45.9177.2-176.862.6000111.9T459 R463 L464 A465 L499T459-L461 VanDerWaalsContact C-N 3.29Å; T459-L461 PolarHBondContact O-N 3.01Å; L461-R463 VanDerWaalsContact C-N 3.27Å; L461-R463 PolarHBondContact O-N 3.08Å; L461-L464 PolarHBondContact O-N 2.89Å; L461-L464 VanDerWaalsContact O-N 3.11Å; L461-A465 WeakPolarHBondContact O-CB 3.34Å; L461-A465 PolarHBondContact O-N 3.41Å; L461-L499 HydrophobicContact CD1-CD2 3.93Å
462T86.9Confident83.4Confident67 Ų67106.3 Ų106.341%0.41151%0.513SS..Hα-helixtrans-64.6-30.2176.3-55.30000112.5T459 R466T459-T462 PolarHBondContact O-N 3.46Å; T459-T462 PolarHBondContact OG1-N 3.26Å; T459-T462 VanDerWaalsContact OG1-N 3.17Å; T459-T462 PolarHBondContact OG1-OG1 2.97Å; T462-R466 WeakPolarHBondContact O-CG 3.48Å; T462-R466 PolarHBondContact O-N 3.3Å; T462-R466 PolarHBondContact O-NE 2.97Å
463R86.3Confident84.4Confident125 Ų12598.7 Ų98.747%0.47248%0.477SS..Hα-helixtrans-68.7-39.4172-75-176.6-74.4176-5.8112.1T459 K460 L461T459-R463 PolarHBondContact O-N 3.43Å; T459-R463 VanDerWaalsContact O-N 3.11Å; K460-R463 WeakPolarHBondContact O-CB 3.29Å; K460-R463 PolarHBondContact O-N 3.17Å; L461-R463 VanDerWaalsContact C-N 3.27Å; L461-R463 PolarHBondContact O-N 3.08Å
464L83.6Confident85.2Confident64 Ų6496.1 Ų96.134%0.33546%0.455SS..Hα-helixtrans-71.3-44.5178.5-165.177000111.8K460 L461 R466 R467 M468 L499 L507K460-L464 PolarHBondContact O-N 3.19Å; L461-L464 PolarHBondContact O-N 2.89Å; L461-L464 VanDerWaalsContact O-N 3.11Å; L464-R466 VanDerWaalsContact C-N 3.26Å; L464-R466 PolarHBondContact O-N 2.84Å; L464-R467 WeakPolarHBondContact O-CA 3.24Å; L464-R467 WeakPolarHBondContact O-CB 3.31Å; L464-R467 PolarHBondContact O-N 3.33Å; L464-M468 HydrophobicContact CD2-SD 3.78Å; L464-M468 HydrophobicContact CG-CG 4.22Å; L464-M468 HydrophobicContact CG-SD 3.79Å; L464-M468 WeakPolarHBondContact O-CG 3.25Å; L464-M468 PolarHBondContact O-N 2.7Å; L464-L499 HydrophobicContact CD2-CD1 3.32Å; L464-L507 HydrophobicContact CD1-CD1 4.46Å
465A86.6Confident85.2Confident12 Ų1290.5 Ų90.510%0.09944%0.436CS..Hα-helixtrans-54-41.4177.900000112.4L461 R467 M468 C469 I491 C495L461-A465 WeakPolarHBondContact O-CB 3.34Å; L461-A465 PolarHBondContact O-N 3.41Å; A465-R467 PolarHBondContact O-N 3.26Å; A465-M468 PolarHBondContact O-N 3.42Å; A465-C469 WeakPolarHBondContact O-CB 3.45Å; A465-C469 PolarHBondContact O-N 3.43Å; A465-I491 HydrophobicContact CB-CG2 4.42Å; A465-C495 HydrophobicContact CB-CB 4.05Å; A465-C495 VanDerWaalsContact CB-SG 3.54Å
466R87.6Confident85.2Confident108 Ų10890.8 Ų90.841%0.40843%0.425SS..Hα-helixtrans-63.1-25.5176.4-70.5-175.2-81.9176.8-7.9113.9T458 T462 L464 L473T458-R466 PolarHBondContact OG1-NH2 3.09Å; T462-R466 WeakPolarHBondContact O-CG 3.48Å; T462-R466 PolarHBondContact O-N 3.3Å; T462-R466 PolarHBondContact O-NE 2.97Å; L464-R466 VanDerWaalsContact C-N 3.26Å; L464-R466 PolarHBondContact O-N 2.84Å; R466-L473 HydrophobicContact CB-CD2 3.69Å; R466-L473 HydrophobicContact CG-CD2 3.55Å
467R83.9Confident85.1Confident162 Ų16290.8 Ų90.861%0.61142%0.416SS*.Hα-helixtrans-88.2-38.9177.1-64.9-178.1178.7-174.9-1111.8L464 A465L464-R467 WeakPolarHBondContact O-CA 3.24Å; L464-R467 WeakPolarHBondContact O-CB 3.31Å; L464-R467 PolarHBondContact O-N 3.33Å; A465-R467 PolarHBondContact O-N 3.26Å
468M80.7Confident84.9Confident15 Ų1583.8 Ų83.87%0.07439%0.388CS..Hα-helixtrans-75.1-34.8-178-67.3-174.163.600113.6L464 A465 R498 L499 A502 L507L464-M468 HydrophobicContact CD2-SD 3.78Å; L464-M468 HydrophobicContact CG-CG 4.22Å; L464-M468 HydrophobicContact CG-SD 3.79Å; L464-M468 WeakPolarHBondContact O-CG 3.25Å; L464-M468 PolarHBondContact O-N 2.7Å; A465-M468 PolarHBondContact O-N 3.42Å; M468-R498 HydrophobicContact CE-CB 3.56Å; M468-R498 VanDerWaalsContact CE-O 3.29Å; M468-R498 WeakPolarHBondContact CE-O 3.48Å; M468-R498 PolarHBondContact O-NH1 3.2Å; M468-L499 HydrophobicContact SD-CD1 3.99Å; M468-A502 HydrophobicContact CE-CB 3.5Å; M468-A502 VanDerWaalsContact CE-CB 3.5Å; M468-A502 HydrophobicContact SD-CB 4.27Å; M468-L507 HydrophobicContact CG-CD1 3.72Å; M468-L507 HydrophobicContact CG-CD2 4.47Å; M468-L507 HydrophobicContact SD-CD1 4.45Å
469C87.4Confident84.8Confident0 Ų085.2 Ų85.20%041%0.405CS..THydrogen-bonded Turntrans-104.841.2179.6-54.20000110.7A465 D471 L472 L473 I491A465-C469 WeakPolarHBondContact O-CB 3.45Å; A465-C469 PolarHBondContact O-N 3.43Å; C469-D471 VanDerWaalsContact C-N 3.28Å; C469-D471 WeakPolarHBondContact CA-OD1 3.4Å; C469-D471 PolarHBondContact O-N 3.49Å; C469-L472 HydrophobicContact CB-CB 4.41Å; C469-L472 HydrophobicContact CB-CD1 4.5Å; C469-L472 PolarHBondContact O-N 3.18Å; C469-L473 VanDerWaalsContact O-CB 3.32Å; C469-L473 WeakPolarHBondContact O-CB 3.25Å; C469-L473 PolarHBondContact O-N 3.2Å; C469-I491 HydrophobicContact CB-CG2 4.06Å
470R84Confident84.5Confident140 Ų14090.7 Ų90.753%0.52842%0.417SS..Hα-helixtrans-66.4-31.9-175.8-174.9176.8179.4178.5-1.3112.6Q474 P475R470-Q474 WeakPolarHBondContact O-CA 3.28Å; R470-Q474 PolarHBondContact O-N 3.02Å; R470-P475 HydrophobicContact CG-CG 4.11Å; R470-P475 WeakPolarHBondContact O-CD 3.3Å
471D84.5Confident84.4Confident81 Ų8189.4 Ų89.443%0.43341%0.407SS..Hα-helixtrans-59.6-45170.851.8-31.2000112.1C469 Q474 R498C469-D471 VanDerWaalsContact C-N 3.28Å; C469-D471 WeakPolarHBondContact CA-OD1 3.4Å; C469-D471 PolarHBondContact O-N 3.49Å; D471-Q474 VanDerWaalsContact O-CG 3.23Å; D471-Q474 WeakPolarHBondContact O-CG 3.41Å; D471-R498 IonicContact OD1-NH1 2.86Å; D471-R498 PolarHBondContact OD1-NH1 2.93Å; D471-R498 IonicContact OD2-CZ 3.12Å; D471-R498 IonicContact OD2-NH1 2.68Å; D471-R498 PolarHBondContact OD2-NH1 3.4Å; D471-R498 IonicContact OD2-NH2 3.64Å; D471-R498 PolarHBondContact OD2-NH2 3.28Å
472L85.8Confident84Confident85 Ų8589.4 Ų89.445%0.44541%0.413SS..Hα-helixtrans-80.5-43.1179.9-63.4178.2000113C469 I491 E494C469-L472 HydrophobicContact CB-CB 4.41Å; C469-L472 HydrophobicContact CB-CD1 4.5Å; C469-L472 PolarHBondContact O-N 3.18Å; L472-I491 HydrophobicContact CB-CG1 4.43Å; L472-E494 HydrophobicContact CD1-CB 3.69Å; L472-E494 HydrophobicContact CD1-CG 3.73Å
473L86.4Confident83.8Confident24 Ų2496.9 Ų96.913%0.12644%0.436CS..Hα-helixtrans-74.9-29.1-178177.661.4000112.9R466 C469 P475 I486 I491R466-L473 HydrophobicContact CB-CD2 3.69Å; R466-L473 HydrophobicContact CG-CD2 3.55Å; C469-L473 VanDerWaalsContact O-CB 3.32Å; C469-L473 WeakPolarHBondContact O-CB 3.25Å; C469-L473 PolarHBondContact O-N 3.2Å; L473-P475 HydrophobicContact CD2-CG 4.14Å; L473-P475 HydrophobicContact CG-CG 4.2Å; L473-I486 HydrophobicContact CD1-CD1 3.97Å; L473-I486 HydrophobicContact CD1-CG2 3.74Å; L473-I491 HydrophobicContact CB-CD1 4Å; L473-I491 HydrophobicContact CD1-CD1 3.82Å; L473-I491 HydrophobicContact CG-CD1 4.44Å
474Q86Confident83.7Confident91 Ų9193.2 Ų93.243%0.42543%0.432SS..  trans43.465.5-175.3-57.1-175.4-3.300113.1R470 D471 R476 R477 A478R470-Q474 WeakPolarHBondContact O-CA 3.28Å; R470-Q474 PolarHBondContact O-N 3.02Å; D471-Q474 VanDerWaalsContact O-CG 3.23Å; D471-Q474 WeakPolarHBondContact O-CG 3.41Å; Q474-R476 VanDerWaalsContact C-N 3.26Å; Q474-R476 PolarHBondContact O-N 2.97Å; Q474-R477 HydrophobicContact CB-CB 4.04Å; Q474-R477 WeakPolarHBondContact O-CA 3.4Å; Q474-R477 WeakPolarHBondContact O-CB 3.36Å; Q474-R477 PolarHBondContact O-N 3.22Å; Q474-A478 PolarHBondContact O-N 3.13Å
475P81.5Confident83.8Confident51 Ų5196.5 Ų96.533%0.33146%0.457SS..Hα-helixtrans-55.1-34.6-167.2-27.333.8000115.1R470 L473 R477 A479R470-P475 HydrophobicContact CG-CG 4.11Å; R470-P475 WeakPolarHBondContact O-CD 3.3Å; L473-P475 HydrophobicContact CD2-CG 4.14Å; L473-P475 HydrophobicContact CG-CG 4.2Å; P475-R477 VanDerWaalsContact C-N 3.32Å; P475-R477 PolarHBondContact O-N 3.2Å; P475-A479 VanDerWaalsContact O-CB 3.23Å; P475-A479 WeakPolarHBondContact O-CB 3.49Å; P475-A479 PolarHBondContact O-N 3.37Å
476R81.2Confident83.9Confident173 Ų173100.4 Ų100.465%0.65348%0.475SS*.Hα-helixtrans-67.5-30.1176.8-70.9-177.5177166.6-2.8113.1Q474 R480Q474-R476 VanDerWaalsContact C-N 3.26Å; Q474-R476 PolarHBondContact O-N 2.97Å; R476-R480 PolarHBondContact O-NE 2.93Å; R476-R480 PolarHBondContact O-NH2 3.37Å
477R83.4Confident84Confident131 Ų131100.3 Ų100.349%0.49448%0.483SS..Hα-helixtrans-82.4-45.6177.3-171.5-179.5-176.5179.90.6110.1Q474 P475 A479 R480 R481Q474-R477 HydrophobicContact CB-CB 4.04Å; Q474-R477 WeakPolarHBondContact O-CA 3.4Å; Q474-R477 WeakPolarHBondContact O-CB 3.36Å; Q474-R477 PolarHBondContact O-N 3.22Å; P475-R477 VanDerWaalsContact C-N 3.32Å; P475-R477 PolarHBondContact O-N 3.2Å; R477-A479 PolarHBondContact O-N 3.25Å; R477-R480 PolarHBondContact O-N 3.42Å; R477-R480 VanDerWaalsContact O-N 3.16Å; R477-R481 PolarHBondContact O-N 3.01Å
478A81.7Confident84.1Confident27 Ų2795 Ų9522%0.22347%0.474CS..Hα-helixtrans-60.5-40.9177.300000112.5Q474 R480 R481 I486Q474-A478 PolarHBondContact O-N 3.13Å; A478-R480 PolarHBondContact O-N 3.16Å; A478-R481 CarbonylContact O-C 3.57Å; A478-R481 PolarHBondContact O-N 2.97Å; A478-I486 HydrophobicContact CB-CD1 4.17Å
479A81.3Confident84.5Confident83 Ų8399.9 Ų99.969%0.68650%0.5SS*.THydrogen-bonded Turntrans-62.6-25.9177.300000113.8P475 R477P475-A479 VanDerWaalsContact O-CB 3.23Å; P475-A479 WeakPolarHBondContact O-CB 3.49Å; P475-A479 PolarHBondContact O-N 3.37Å; R477-A479 PolarHBondContact O-N 3.25Å
480R84.5Confident84.6Confident196 Ų196101.9 Ų101.974%0.7452%0.516SS*.THydrogen-bonded Turntrans-94.40.5177.6-68.8-178.7-77.7-179.90.3113R476 R477 A478R476-R480 PolarHBondContact O-NE 2.93Å; R476-R480 PolarHBondContact O-NH2 3.37Å; R477-R480 PolarHBondContact O-N 3.42Å; R477-R480 VanDerWaalsContact O-N 3.16Å; A478-R480 PolarHBondContact O-N 3.16Å
481R82.2Confident84.8Confident143 Ų14396.1 Ų96.154%0.5450%0.496SS..  trans-138.367.4-177.8-65.3-171.1174.6-162.3-4.5110.7R477 A478 Y483 A484R477-R481 PolarHBondContact O-N 3.01Å; A478-R481 CarbonylContact O-C 3.57Å; A478-R481 PolarHBondContact O-N 2.97Å; R481-Y483 PolarHBondContact O-N 3.44Å; R481-A484 HydrophobicContact CB-CB 3.93Å; R481-A484 PolarHBondContact O-N 2.93Å; R481-A484 VanDerWaalsContact O-N 3.15Å
482P79.3Confident85Confident99 Ų9999 Ų9964%0.64350%0.504SS*.THydrogen-bonded Turntrans-64.8-22.9-172.926.2-35.1000114
483Y81.4Confident85.2Confident225 Ų22597.6 Ų97.688%0.88251%0.506SS*.THydrogen-bonded Turntrans-94.9-2.2-179.8-51.8-62.7000113.7R481R481-Y483 PolarHBondContact O-N 3.44Å
484A85.3Confident85.3Confident48 Ų4899 Ų9940%0.39751%0.512SS..SBendtrans-83128.5177.100000110R481 I486R481-A484 HydrophobicContact CB-CB 3.93Å; R481-A484 PolarHBondContact O-N 2.93Å; R481-A484 VanDerWaalsContact O-N 3.15Å; A484-I486 PolarHBondContact O-N 2.94Å
485P84.8Confident85.4Confident133 Ų13395 Ų9586%0.86449%0.494SS*.PPolyproline II helixtrans-66133.4-179.926.8-33.4000110.7
486I89.6Confident85.6Confident94 Ų9496.8 Ų96.848%0.48251%0.507SS..PPolyproline II helixtrans-95.2130.9174.5-61171.7000107.9L473 A478 A484 A488 I491L473-I486 HydrophobicContact CD1-CD1 3.97Å; L473-I486 HydrophobicContact CD1-CG2 3.74Å; A478-I486 HydrophobicContact CB-CD1 4.17Å; A484-I486 PolarHBondContact O-N 2.94Å; I486-A488 VanDerWaalsContact C-N 3.3Å; I486-A488 PolarHBondContact O-N 3.39Å; I486-I491 HydrophobicContact CG2-CD1 3.64Å
487N88.1Confident85.8Confident105 Ų10593.2 Ų93.256%0.56150%0.5SS*.  trans-72.884.5176-169.6-19.1000110.8N489 A490 I491N487-N489 VanDerWaalsContact C-N 3.26Å; N487-N489 PolarHBondContact O-N 3.47Å; N487-N489 PolarHBondContact OD1-N 3.05Å; N487-A490 HydrophobicContact CB-CB 4.32Å; N487-A490 PolarHBondContact OD1-N 3.28Å; N487-A490 VanDerWaalsContact OD1-N 3.14Å; N487-I491 PolarHBondContact O-N 3.36Å
488A86.8Confident85.8Confident51 Ų5190.4 Ų90.442%0.42149%0.489SS..Hα-helixtrans-65.3-28-177.800000113I486 K492I486-A488 VanDerWaalsContact C-N 3.3Å; I486-A488 PolarHBondContact O-N 3.39Å; A488-K492 WeakPolarHBondContact O-CB 3.41Å; A488-K492 VanDerWaalsContact O-CG 3.27Å; A488-K492 WeakPolarHBondContact O-CG 2.98Å; A488-K492 PolarHBondContact O-N 3Å
489N89.1Confident85.8Confident118 Ų11892.2 Ų92.263%0.63150%0.495SS*.Hα-helixtrans-72-43.2-178.4-68.1-15000111.4N487 I491 K492 A493N487-N489 VanDerWaalsContact C-N 3.26Å; N487-N489 PolarHBondContact O-N 3.47Å; N487-N489 PolarHBondContact OD1-N 3.05Å; N489-I491 VanDerWaalsContact C-N 3.32Å; N489-I491 PolarHBondContact O-N 3.48Å; N489-K492 PolarHBondContact O-N 3.03Å; N489-A493 PolarHBondContact O-N 3.15Å
490A89.3Confident85.6Confident41 Ų4192.3 Ų92.334%0.33949%0.488SS..Hα-helixtrans-60.4-41.817400000111.9N487 A493 E494N487-A490 HydrophobicContact CB-CB 4.32Å; N487-A490 PolarHBondContact OD1-N 3.28Å; N487-A490 VanDerWaalsContact OD1-N 3.14Å; A490-A493 PolarHBondContact O-N 3.14Å; A490-E494 WeakPolarHBondContact O-CB 3.46Å; A490-E494 PolarHBondContact O-N 3.13Å
491I88.5Confident84.9Confident20 Ų2089.7 Ų89.710%0.10348%0.483CS..Hα-helixtrans-65.8-40.3177.7-64.6170000111.3A465 C469 L472 L473 I486 N487 N489 C495A465-I491 HydrophobicContact CB-CG2 4.42Å; C469-I491 HydrophobicContact CB-CG2 4.06Å; L472-I491 HydrophobicContact CB-CG1 4.43Å; L473-I491 HydrophobicContact CB-CD1 4Å; L473-I491 HydrophobicContact CD1-CD1 3.82Å; L473-I491 HydrophobicContact CG-CD1 4.44Å; I486-I491 HydrophobicContact CG2-CD1 3.64Å; N487-I491 PolarHBondContact O-N 3.36Å; N489-I491 VanDerWaalsContact C-N 3.32Å; N489-I491 PolarHBondContact O-N 3.48Å; I491-C495 WeakPolarHBondContact O-CB 3.32Å; I491-C495 PolarHBondContact O-N 3.42Å
492K89.8Confident83.9Confident140 Ų14084.1 Ų84.161%0.60947%0.467SS*.Hα-helixtrans-64.4-47.1176.9-76.1173.1-179-179.30111.5A488 N489 C495 S496A488-K492 WeakPolarHBondContact O-CB 3.41Å; A488-K492 VanDerWaalsContact O-CG 3.27Å; A488-K492 WeakPolarHBondContact O-CG 2.98Å; A488-K492 PolarHBondContact O-N 3Å; N489-K492 PolarHBondContact O-N 3.03Å; K492-C495 PolarHBondContact O-N 3.36Å; K492-S496 PolarHBondContact O-N 2.85Å; K492-S496 PolarHBondContact O-OG 3.31Å
493A89.3Confident83Confident57 Ų5783.7 Ų83.747%0.47147%0.472SS..Hα-helixtrans-60.9-49.3179.200000111.6N489 A490 C495 S496 I497N489-A493 PolarHBondContact O-N 3.15Å; A490-A493 PolarHBondContact O-N 3.14Å; A493-C495 VanDerWaalsContact C-N 3.35Å; A493-C495 PolarHBondContact O-N 2.96Å; A493-S496 PolarHBondContact O-N 3.21Å; A493-I497 WeakPolarHBondContact O-CG1 3.28Å; A493-I497 PolarHBondContact O-N 3.32Å
494E88.2Confident82.1Confident54 Ų5482 Ų8225%0.25247%0.469SS..Hα-helixtrans-67-36.7-179.9-167.865.9-16600112.1L472 A490 S496 I497 R498L472-E494 HydrophobicContact CD1-CB 3.69Å; L472-E494 HydrophobicContact CD1-CG 3.73Å; A490-E494 WeakPolarHBondContact O-CB 3.46Å; A490-E494 PolarHBondContact O-N 3.13Å; E494-S496 VanDerWaalsContact C-N 3.35Å; E494-S496 PolarHBondContact O-N 3.46Å; E494-I497 PolarHBondContact O-N 3Å; E494-R498 HydrophobicContact CG-CG 4.28Å; E494-R498 WeakPolarHBondContact O-CB 3.43Å; E494-R498 WeakPolarHBondContact O-CG 3.32Å; E494-R498 PolarHBondContact O-N 3.15Å; E494-R498 IonicContact OE1-CZ 3.06Å; E494-R498 IonicContact OE1-NE 3.95Å; E494-R498 PolarHBondContact OE1-NE 3.38Å; E494-R498 IonicContact OE1-NH2 3.44Å; E494-R498 PolarHBondContact OE1-NH2 3.06Å
495C87.3Confident80.9Confident7 Ų784.2 Ų84.25%0.04748%0.478CS..Hα-helixtrans-62.9-41.8175.7-173.30000111.3A465 I491 K492 A493 I497 R498 L499A465-C495 HydrophobicContact CB-CB 4.05Å; A465-C495 VanDerWaalsContact CB-SG 3.54Å; I491-C495 WeakPolarHBondContact O-CB 3.32Å; I491-C495 PolarHBondContact O-N 3.42Å; K492-C495 PolarHBondContact O-N 3.36Å; A493-C495 VanDerWaalsContact C-N 3.35Å; A493-C495 PolarHBondContact O-N 2.96Å; C495-I497 VanDerWaalsContact C-N 3.28Å; C495-I497 PolarHBondContact O-N 3.27Å; C495-R498 PolarHBondContact O-N 2.89Å; C495-L499 WeakPolarHBondContact O-CB 3.48Å; C495-L499 PolarHBondContact O-N 3.29Å
496S86.1Confident79.7Confident88 Ų8883.6 Ų83.662%0.61547%0.474SS*.Hα-helixtrans-63.4-33.5177.7-64.50000112.7K492 A493 E494 P500K492-S496 PolarHBondContact O-N 2.85Å; K492-S496 PolarHBondContact O-OG 3.31Å; A493-S496 PolarHBondContact O-N 3.21Å; E494-S496 VanDerWaalsContact C-N 3.35Å; E494-S496 PolarHBondContact O-N 3.46Å; S496-P500 WeakPolarHBondContact O-CD 3.47Å
497I86.7Confident78.3Confident97 Ų9783 Ų8350%0.49747%0.471SS..Hα-helixtrans-76.5-39.7177.2-63.1167.6000111.6A493 E494 C495A493-I497 WeakPolarHBondContact O-CG1 3.28Å; A493-I497 PolarHBondContact O-N 3.32Å; E494-I497 PolarHBondContact O-N 3Å; C495-I497 VanDerWaalsContact C-N 3.28Å; C495-I497 PolarHBondContact O-N 3.27Å
498R83.3Confident77Confident72 Ų7287 Ų8727%0.27248%0.483SS..Hα-helixtrans-82.5-26.2-176.5-67.4-174.2-174.1179.26.9113.5M468 D471 E494 C495 K501 A502M468-R498 HydrophobicContact CE-CB 3.56Å; M468-R498 VanDerWaalsContact CE-O 3.29Å; M468-R498 WeakPolarHBondContact CE-O 3.48Å; M468-R498 PolarHBondContact O-NH1 3.2Å; D471-R498 IonicContact OD1-NH1 2.86Å; D471-R498 PolarHBondContact OD1-NH1 2.93Å; D471-R498 IonicContact OD2-CZ 3.12Å; D471-R498 IonicContact OD2-NH1 2.68Å; D471-R498 PolarHBondContact OD2-NH1 3.4Å; D471-R498 IonicContact OD2-NH2 3.64Å; D471-R498 PolarHBondContact OD2-NH2 3.28Å; E494-R498 HydrophobicContact CG-CG 4.28Å; E494-R498 WeakPolarHBondContact O-CB 3.43Å; E494-R498 WeakPolarHBondContact O-CG 3.32Å; E494-R498 PolarHBondContact O-N 3.15Å; E494-R498 IonicContact OE1-CZ 3.06Å; E494-R498 IonicContact OE1-NE 3.95Å; E494-R498 PolarHBondContact OE1-NE 3.38Å; E494-R498 IonicContact OE1-NH2 3.44Å; E494-R498 PolarHBondContact OE1-NH2 3.06Å; C495-R498 PolarHBondContact O-N 2.89Å; R498-K501 PolarHBondContact O-N 2.84Å; R498-K501 VanDerWaalsContact O-N 3.14Å; R498-A502 PolarHBondContact O-N 2.91Å
499L80.9Confident75.7Confident65 Ų6590.4 Ų90.434%0.3449%0.493SS..Hα-helixtrans-58-46-176.3-172.469.8000113.5L461 L464 M468 C495 K501 A502L461-L499 HydrophobicContact CD1-CD2 3.93Å; L464-L499 HydrophobicContact CD2-CD1 3.32Å; M468-L499 HydrophobicContact SD-CD1 3.99Å; C495-L499 WeakPolarHBondContact O-CB 3.48Å; C495-L499 PolarHBondContact O-N 3.29Å; L499-K501 VanDerWaalsContact C-N 3.28Å; L499-K501 PolarHBondContact O-N 3.08Å; L499-A502 PolarHBondContact O-N 3.37Å
500P77.9Confident74.3Confident85 Ų8592 Ų9255%0.55250%0.497SS*.Hα-helixtrans-65.2-29.9176.2-20.633.4000113.3S496S496-P500 WeakPolarHBondContact O-CD 3.47Å
501K68.6Low72.8Confident142 Ų14295.2 Ų95.262%0.61751%0.514SS*.Hα-helixtrans-77.3-32.7179.9-62.6-178.7179.8179.60112.4R498 L499 A503 K504 T505R498-K501 PolarHBondContact O-N 2.84Å; R498-K501 VanDerWaalsContact O-N 3.14Å; L499-K501 VanDerWaalsContact C-N 3.28Å; L499-K501 PolarHBondContact O-N 3.08Å; K501-A503 VanDerWaalsContact C-N 3.3Å; K501-A503 PolarHBondContact O-N 2.95Å; K501-K504 PolarHBondContact O-N 3.18Å; K501-T505 PolarHBondContact O-N 3.24Å; K501-T505 PolarHBondContact O-OG1 3.4Å
502A61.5Low71.6Confident25 Ų25101 Ų10121%0.20755%0.545CS..Hα-helixtrans-73-17.4176.600000113.9M468 R498 L499 K504 T505M468-A502 HydrophobicContact CE-CB 3.5Å; M468-A502 VanDerWaalsContact CE-CB 3.5Å; M468-A502 HydrophobicContact SD-CB 4.27Å; R498-A502 PolarHBondContact O-N 2.91Å; L499-A502 PolarHBondContact O-N 3.37Å; A502-K504 VanDerWaalsContact C-N 3.27Å; A502-T505 CarbonylContact O-C 3.59Å
503A61.6Low71.1Confident91 Ų91100.4 Ų100.475%0.75255%0.552SS**THydrogen-bonded Turntrans-69.9-26171.300000112.5K501K501-A503 VanDerWaalsContact C-N 3.3Å; K501-A503 PolarHBondContact O-N 2.95Å
504K61.3Low70.4Confident190 Ų190108.8 Ų108.883%0.82657%0.572SS**THydrogen-bonded Turntrans-93.1-16.3179.8-61.2-174.6179.9-1750113.6K501 A502K501-K504 PolarHBondContact O-N 3.18Å; A502-K504 VanDerWaalsContact C-N 3.27Å
505T59.4Low70.3Confident94 Ų94111.5 Ų111.558%0.57759%0.588SS**SBendtrans-139.6113.3178.3460000109.7K501 A502 L507K501-T505 PolarHBondContact O-N 3.24Å; K501-T505 PolarHBondContact O-OG1 3.4Å; A502-T505 CarbonylContact O-C 3.59Å; T505-L507 PolarHBondContact O-N 3.01Å
506P60.6Low70.2Confident120 Ų120115.1 Ų115.178%0.77961%0.611SS**  trans-65.4132.5-176.425-31.9000110.5K508P506-K508 PolarHBondContact O-N 3.4Å
507L61.2Low69.8Low81 Ų81117.2 Ų117.242%0.42461%0.614SS.*  trans-58.4121.5174.7-67167.9000109L464 M468 T505 I509L464-L507 HydrophobicContact CD1-CD1 4.46Å; M468-L507 HydrophobicContact CG-CD1 3.72Å; M468-L507 HydrophobicContact CG-CD2 4.47Å; M468-L507 HydrophobicContact SD-CD1 4.45Å; T505-L507 PolarHBondContact O-N 3.01Å; L507-I509 VanDerWaalsContact C-N 3.32Å; L507-I509 PolarHBondContact O-N 3.02Å
508K59.9Low69.5Low188 Ų188115.9 Ų115.982%0.81762%0.618SS**  trans-6591.1172.9-70.6-175.1-179.5-178.90109.5P506 H510P506-K508 PolarHBondContact O-N 3.4Å; K508-H510 PolarHBondContact O-N 3.31Å
509I59.1Low69.5Low123 Ų123114.9 Ų114.963%0.63162%0.62SS**  trans-8095.5171.7-59171.8000106.3L507 P511L507-I509 VanDerWaalsContact C-N 3.32Å; L507-I509 PolarHBondContact O-N 3.02Å; I509-P511 WeakPolarHBondContact O-CD 3.35Å
510H59.2Low69.6Low153 Ų153115.4 Ų115.471%0.70862%0.622SS**  trans-68.4117.8167.6-73.1-74.5000108.5K508 L512K508-H510 PolarHBondContact O-N 3.31Å; H510-L512 PolarHBondContact O-N 2.96Å; H510-L512 VanDerWaalsContact O-N 3.07Å
511P58.8Low69.7Low107 Ų107114.8 Ų114.870%0.69562%0.617SS**  trans-61.9115.6169.724.4-29.3000107.7I509 V513I509-P511 WeakPolarHBondContact O-CD 3.35Å; P511-V513 VanDerWaalsContact C-N 3.35Å; P511-V513 PolarHBondContact O-N 3.29Å
512L62.9Low70.4Confident143 Ų143115.5 Ų115.575%0.74962%0.62SS**  trans-72.996.1170.1-98.9153.3000107.1H510 R514H510-L512 PolarHBondContact O-N 2.96Å; H510-L512 VanDerWaalsContact O-N 3.07Å; L512-R514 PolarHBondContact O-N 2.98Å
513V79.1Confident71.3Confident127 Ų127118.2 Ų118.277%0.7763%0.631SS**  trans-65.7113.1169.2-1780000106.9P511 L515P511-V513 VanDerWaalsContact C-N 3.35Å; P511-V513 PolarHBondContact O-N 3.29Å; V513-L515 PolarHBondContact O-N 3.34Å
514R76Confident72.1Confident232 Ų232119.3 Ų119.388%0.87562%0.623SS**PPolyproline II helixtrans-73.4127173-69.5-171.5-179.9-175.30.8107.9L512L512-R514 PolarHBondContact O-N 2.98Å
515L84.8Confident73Confident112 Ų112115.1 Ų115.159%0.58661%0.614SS**PPolyproline II helixtrans-60.1139171.5-76.6129.2000109.7V513 T519 I520V513-L515 PolarHBondContact O-N 3.34Å; L515-T519 HydrophobicContact CD2-CG2 3.74Å; L515-I520 HydrophobicContact CB-CD1 4.48Å; L515-I520 HydrophobicContact CB-CG1 4.23Å
516P85.3Confident73.8Confident82 Ų82114.7 Ų114.753%0.53262%0.62SS.*PPolyproline II helixtrans-66.6149.6175.425.9-29.3000110.1A518 T519 I520P516-A518 PolarHBondContact O-N 3.13Å; P516-A518 VanDerWaalsContact O-N 3.08Å; P516-T519 WeakPolarHBondContact CG-OG1 3.44Å; P516-T519 PolarHBondContact O-N 3.41Å; P516-I520 PolarHBondContact O-N 3.31Å
517L77.4Confident74.4Confident133 Ų133116 Ų11670%0.69662%0.615SS**Hα-helixtrans-53.5-35-177.7-176.463.9000112.2T519 I520 V521L517-T519 VanDerWaalsContact C-N 3.31Å; L517-T519 PolarHBondContact O-N 3.49Å; L517-I520 PolarHBondContact O-N 3.26Å; L517-V521 HydrophobicContact CD1-CG2 4.31Å; L517-V521 HydrophobicContact CG-CG2 4.25Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.34Å; L517-V521 PolarHBondContact O-N 3.49Å
518A80.8Confident74.6Confident68 Ų68114.8 Ų114.856%0.56262%0.616SS**Hα-helixtrans-59-38.3177.300000113.4P516 K522P516-A518 PolarHBondContact O-N 3.13Å; P516-A518 VanDerWaalsContact O-N 3.08Å; A518-K522 WeakPolarHBondContact O-CG 3.47Å; A518-K522 PolarHBondContact O-N 3.2Å
519T83.8Confident74.5Confident51 Ų51111.5 Ų111.531%0.31362%0.615SS.*Hα-helixtrans-71.9-41.2177.8-48.50000110.8L515 P516 L517 V521 K522 D523L515-T519 HydrophobicContact CD2-CG2 3.74Å; P516-T519 WeakPolarHBondContact CG-OG1 3.44Å; P516-T519 PolarHBondContact O-N 3.41Å; L517-T519 VanDerWaalsContact C-N 3.31Å; L517-T519 PolarHBondContact O-N 3.49Å; T519-V521 VanDerWaalsContact C-N 3.34Å; T519-V521 PolarHBondContact O-N 2.89Å; T519-K522 PolarHBondContact O-N 3.31Å; T519-D523 PolarHBondContact O-N 3.05Å
520I82.3Confident74.5Confident76 Ų76113.9 Ų113.939%0.3963%0.627SS.*Hα-helixtrans-63.1-41.8178.3-60172.9000111L515 P516 L517 D523 L524L515-I520 HydrophobicContact CB-CD1 4.48Å; L515-I520 HydrophobicContact CB-CG1 4.23Å; P516-I520 PolarHBondContact O-N 3.31Å; L517-I520 PolarHBondContact O-N 3.26Å; I520-D523 PolarHBondContact O-N 3.22Å; I520-L524 HydrophobicContact CG2-CD1 4Å; I520-L524 WeakPolarHBondContact O-CB 3.23Å; I520-L524 WeakPolarHBondContact O-CG 3.45Å; I520-L524 PolarHBondContact O-N 3.16Å
521V80.7Confident73.9Confident73 Ų73115.2 Ų115.244%0.44263%0.631SS.*Hα-helixtrans-65.5-40.4177.6171.50000111.1L517 T519 L524 V525L517-V521 HydrophobicContact CD1-CG2 4.31Å; L517-V521 HydrophobicContact CG-CG2 4.25Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.34Å; L517-V521 PolarHBondContact O-N 3.49Å; T519-V521 VanDerWaalsContact C-N 3.34Å; T519-V521 PolarHBondContact O-N 2.89Å; V521-L524 PolarHBondContact O-N 3.19Å; V521-V525 HydrophobicContact CG1-CG2 4.45Å; V521-V525 WeakPolarHBondContact O-CB 3.48Å; V521-V525 VanDerWaalsContact O-CG2 3.25Å; V521-V525 WeakPolarHBondContact O-CG2 3.2Å; V521-V525 PolarHBondContact O-N 3.15Å
522K83.3Confident73.1Confident157 Ų157116.2 Ų116.268%0.68364%0.638SS**Hα-helixtrans-61.5-44.6174.9-78.3-177.9177.6-173.30112.1A518 T519 V525 A526A518-K522 WeakPolarHBondContact O-CG 3.47Å; A518-K522 PolarHBondContact O-N 3.2Å; T519-K522 PolarHBondContact O-N 3.31Å; K522-V525 PolarHBondContact O-N 3.33Å; K522-A526 WeakPolarHBondContact O-CB 3.32Å; K522-A526 PolarHBondContact O-N 2.97Å
523D80.9Confident71.9Confident81 Ų81118.9 Ų118.943%0.43364%0.644SS.*Hα-helixtrans-65.8-39.3179.2-68.3-15.4000112.1T519 I520 A526 Q527T519-D523 PolarHBondContact O-N 3.05Å; I520-D523 PolarHBondContact O-N 3.22Å; D523-A526 PolarHBondContact O-N 3.03Å; D523-Q527 WeakPolarHBondContact O-CB 3.39Å; D523-Q527 VanDerWaalsContact O-CG 3.28Å; D523-Q527 WeakPolarHBondContact O-CG 3.23Å; D523-Q527 PolarHBondContact O-N 3.47Å
524L77.9Confident70.3Confident114 Ų114119 Ų11960%0.59765%0.645SS**Hα-helixtrans-67.1-37176.8-74.9170.4000112.6I520 V521 Q527 A528I520-L524 HydrophobicContact CG2-CD1 4Å; I520-L524 WeakPolarHBondContact O-CB 3.23Å; I520-L524 WeakPolarHBondContact O-CG 3.45Å; I520-L524 PolarHBondContact O-N 3.16Å; V521-L524 PolarHBondContact O-N 3.19Å; L524-Q527 PolarHBondContact O-N 3.17Å; L524-A528 PolarHBondContact O-N 3.02Å
525V79.3Confident68.5Low103 Ų103114 Ų11462%0.62464%0.642SS**Hα-helixtrans-69.9-38.2174.9171.30000110.8V521 K522 Q527 A528V521-V525 HydrophobicContact CG1-CG2 4.45Å; V521-V525 WeakPolarHBondContact O-CB 3.48Å; V521-V525 VanDerWaalsContact O-CG2 3.25Å; V521-V525 WeakPolarHBondContact O-CG2 3.2Å; V521-V525 PolarHBondContact O-N 3.15Å; K522-V525 PolarHBondContact O-N 3.33Å; V525-Q527 VanDerWaalsContact C-N 3.29Å; V525-Q527 PolarHBondContact O-N 2.95Å; V525-A528 WeakPolarHBondContact O-CB 3.43Å; V525-A528 PolarHBondContact O-N 3.45Å
526A76.6Confident66.2Low85 Ų85120.2 Ų120.270%0.70266%0.658SS**Hα-helixtrans-67.8-27.9176.300000113.3K522 D523K522-A526 WeakPolarHBondContact O-CB 3.32Å; K522-A526 PolarHBondContact O-N 2.97Å; D523-A526 PolarHBondContact O-N 3.03Å
527Q74.1Confident63.9Low148 Ų148119.8 Ų119.869%0.69267%0.668SS**THydrogen-bonded Turntrans-89.8-0.3176.9-68.6170.633.100113.2D523 L524 V525 P529D523-Q527 WeakPolarHBondContact O-CB 3.39Å; D523-Q527 VanDerWaalsContact O-CG 3.28Å; D523-Q527 WeakPolarHBondContact O-CG 3.23Å; D523-Q527 PolarHBondContact O-N 3.47Å; L524-Q527 PolarHBondContact O-N 3.17Å; V525-Q527 VanDerWaalsContact C-N 3.29Å; V525-Q527 PolarHBondContact O-N 2.95Å; Q527-P529 WeakPolarHBondContact O-CD 3.44Å
528A63.8Low61.7Low54 Ų54120.5 Ų120.545%0.44668%0.678SS.*SBendtrans-71.9121.8178.500000110.2L524 V525 L530L524-A528 PolarHBondContact O-N 3.02Å; V525-A528 WeakPolarHBondContact O-CB 3.43Å; V525-A528 PolarHBondContact O-N 3.45Å; A528-L530 PolarHBondContact O-N 2.83Å
529P59.4Low59.4Low120 Ų120126.9 Ų126.978%0.77969%0.693SS**  trans-65.9120.4179.424.5-31000110.3Q527 K531Q527-P529 WeakPolarHBondContact O-CD 3.44Å; P529-K531 PolarHBondContact O-N 3.02Å; P529-K531 VanDerWaalsContact O-N 3.1Å
530L57.3Low57Low172 Ų172130.6 Ų130.690%0.90172%0.716SS**SBendtrans-72.4103.9172.3-69170.1000109A528A528-L530 PolarHBondContact O-N 2.83Å
531K46.9Very low54.5Low181 Ų181133.1 Ų133.179%0.78774%0.737SS**  trans85.4124.6173.5-56.6-179178.7-179.30116.6P529 K533P529-K531 PolarHBondContact O-N 3.02Å; P529-K531 VanDerWaalsContact O-N 3.1Å; K531-K533 PolarHBondContact O-N 3.07Å
532P42.5Very low52.2Low129 Ų129136.9 Ų136.984%0.83875%0.753SS**  trans-72.3110.6161.229.1-29.1000109T534P532-T534 PolarHBondContact O-N 3.43Å
533K38Very low49.5Very low199 Ų199135.9 Ų135.987%0.86576%0.755SS**  trans-73.3115.2166-74.2-175.2177.4179.90108.4K531 P535K531-K533 PolarHBondContact O-N 3.07Å; K533-P535 WeakPolarHBondContact O-CD 3.42Å
534T45.3Very low47Very low129 Ų129141.8 Ų141.879%0.79177%0.772SS**  trans-68.1122.616547.70000109.5P532 R536P532-T534 PolarHBondContact O-N 3.43Å; T534-R536 PolarHBondContact O-N 3.23Å
535P38.8Very low44.7Very low127 Ų127142.3 Ų142.383%0.82578%0.775SS**  trans-81114.4170.8-4.322.6000109.5K533K533-P535 WeakPolarHBondContact O-CD 3.42Å
536R36Very low42.4Very low243 Ų243146.7 Ų146.792%0.91779%0.789SS**  trans-58.9139.1154.4-92.4179.2175.2170.7-2.3108.3T534T534-R536 PolarHBondContact O-N 3.23Å
537G36.8Very low40.1Very low72 Ų72150.2 Ų150.274%0.74280%0.795SS**  trans-68.3156.9-176.500000114.8
538T31.9Very low37.8Very low148 Ų148147.8 Ų147.891%0.90880%0.795SS**  trans-159.1164.2148.730.70000109.5
539K31.3Very low36.1Very low202 Ų202154.3 Ų154.388%0.87882%0.816SS**  trans-72.3160.2-150.4-61.4165.9175.8177.20115.7
540T32.9Very low34.4Very low130 Ų130156.7 Ų156.780%0.79882%0.822SS**  trans-43161.617453.80000116.3
541P31.6Very low33Very low129 Ų129160.5 Ų160.584%0.83882%0.824SS**  -146.8171.989.934.6-14.1000117.3
542I31.3Very low32Very low152 Ų152155.2 Ų155.278%0.77982%0.822SS**  trans-78.2141.4-175.2-67.8155.3000113.8
543N27.8Very low31.4Very low135 Ų135157.8 Ų157.872%0.72283%0.827SS**  trans169.5120.1132.3-109.1-62.1000109.4
544R27.6Very low30.8Very low205 Ų205151.8 Ų151.877%0.77482%0.822SS**  87.3117.372.5-167.1174.1175.3112.1-4.1113.5
545N29.6Very low29.8Very low126 Ų126149.1 Ų149.167%0.67482%0.82SS**  trans54.5122.5153-63.8-4.2000120.1
546Q30.4Very low29.3Very low195 Ų195151.3 Ų151.391%0.91182%0.823SS**  -153.5112.8124.4-108.9176.870.100112.9
547L28.2Very low28.9Very low158 Ų158148 Ų14883%0.82782%0.82SS**  trans45.2127.4144.8-101.473.5000124.3
548S27.1Very low28.4Very low98 Ų98151.3 Ų151.369%0.68583%0.826SS**  trans-46.7155.815656.90000117.2
549Q26.5Very low28.4Very low190 Ų190153.6 Ų153.689%0.88882%0.823SS**  -159114.7126.4-106.7175.925.300111.1
550N25.1Very low28.2Very low170 Ų170156.2 Ų156.291%0.90983%0.827SS**  trans-126.7118.1161.1-105.5-6.9000107
551R28.3Very low27.8Very low252 Ų252154.4 Ų154.495%0.95183%0.826SS**  trans-96120.1158.1-78.5-179.9171-178.1-2.6105.1
552G25.7Very low27.5Very low71 Ų71159.1 Ų159.173%0.73283%0.828SS**  107.9152.867.300000106.7
553L28.6Very low27.2Very low182 Ų182159.9 Ų159.995%0.95383%0.828SS**  cis-172.7160.6-10.9-123.8170.5000105
554G25.1Very low27.2Very low73 Ų73158.8 Ų158.875%0.75383%0.827SS**  trans102.6107.4165.400000113.1
555G25.1Very low27.3Very low74 Ų74157.7 Ų157.776%0.76383%0.833SS**  116138.352.600000105.5
556I29.1Very low27.1Very low172 Ų172156.7 Ų156.788%0.88284%0.842SS**  cis-162.2159.433-83.2160.9000107.9
557M26.3Very low26.9Very low173 Ų173150.7 Ų150.785%0.85283%0.833SS**  trans-48.4160.8179-63173.515400118
558V27.3Very low27Very low142 Ų142148.5 Ų148.586%0.86184%0.837SS**  -171.2133.7108.6164.10000111
559K31.5Very low27Very low196 Ų196147.3 Ų147.385%0.85284%0.84SS**  trans-80155.1170.7-80.7176.9169.4177.20111.6
560R26.5Very low27.1Very low258 Ų258145.1 Ų145.197%0.97484%0.839SS**  -164.4149.1126.3-111.4174-165.4163.14.4112.9
561A26Very low27.7Very low92 Ų92142.7 Ų142.776%0.7683%0.833SS**  trans-106.7161.2-17200000111.5
562Y25.1Very low27.8Very low227 Ų227140.9 Ų140.989%0.8983%0.832SS**  trans-164.5129.5141.6-146.7-105.2000111.4
563E24.7Very low28Very low168 Ų168143.2 Ų143.279%0.78584%0.838SS**  trans-94.9160.3166.6-75.4179.6135.400110
564T28.5Very low28.2Very low112 Ų112138.6 Ų138.669%0.68783%0.826SS**  156.7117121.3-60.80000113.5
565M27.6Very low28.6Very low183 Ų183143 Ų14390%0.90183%0.832SS**  trans46.9152.5140-63.4-175174.400122.2
566A27.3Very low29Very low104 Ų104143.1 Ų143.186%0.8683%0.833SS**  cis-163.1167.48.700000107.5
567G25.8Very low29.2Very low70 Ų70146.3 Ų146.372%0.72283%0.834SS**  cis179-171.79.400000113.7
568A29.4Very low29.3Very low112 Ų112144.1 Ų144.193%0.92683%0.833SS**  trans68.6123.8175.700000116.8
569G26.6Very low29.1Very low72 Ų72146.1 Ų146.174%0.74284%0.838SS**  cis131.7116.720.600000105.1
570V30.3Very low29Very low144 Ų144141.3 Ų141.387%0.87384%0.835SS**  -178.5-175.765-151.40000107.6
571P38.1Very low29.2Very low120 Ų120135.1 Ų135.178%0.77983%0.831SS**  -104.7173.1-60.217.45.7000114.4
572F30Very low29.2Very low213 Ų213134 Ų13493%0.93483%0.829SS**  trans-75.2149.7179.1-83.3-95.8000115.3
573S30.1Very low29.6Very low120 Ų120131.3 Ų131.384%0.83983%0.828SS**  trans-135.7145.2147.7-166.30000109.8
574A31.3Very low29.6Very low85 Ų85134.8 Ų134.870%0.70283%0.833SS**SBendtrans-73.7152.4-164.100000114.4
575N34.1Very low29.9Very low165 Ų165135.1 Ų135.188%0.88284%0.84SS**SBendtrans82.585.1177.7-58.1-19000115.1
576G34.2Very low29.8Very low77 Ų77131.9 Ų131.979%0.79484%0.836SS**  trans-70.9131.6-172.300000115.6
577R33.4Very low30Very low240 Ų240131.9 Ų131.991%0.90683%0.829SS**  -174.7129.5119.5-97.6-179.9-172-158.33.1109.1
578P26.7Very low30.1Very low127 Ų127137 Ų13783%0.82584%0.835SS**  trans-81.4139.8174.529.3-30000112.2
579L24.6Very low30.1Very low184 Ų184137 Ų13796%0.96383%0.825SS**  trans-88.4109.2169.6-14394.4000108.2
580A29.2Very low30.1Very low95 Ų95137.8 Ų137.879%0.78583%0.825SS**  trans-103.9121.4168.400000109.7G582A580-G582 PolarHBondContact O-N 3.49Å
581S31Very low30.3Very low128 Ų128136.1 Ų136.190%0.89583%0.826SS**  trans-61.4122.4167.7-178.40000109.8
582G26.1Very low29.9Very low69 Ų69139.7 Ų139.771%0.71183%0.829SS**  trans-170.995.5-175.800000111.1A580 R584A580-G582 PolarHBondContact O-N 3.49Å; G582-R584 PolarHBondContact O-N 3.46Å
583I33Very low30.1Very low169 Ų169141.3 Ų141.387%0.86783%0.829SS**  trans-50.6115.4178.5-65.6154.6000111.6
584R24.7Very low30.1Very low241 Ų241144.8 Ų144.891%0.90983%0.832SS**  trans-140.4116146-83.7-165.3-175.1-155.70.7111.4G582 S586G582-R584 PolarHBondContact O-N 3.46Å; R584-S586 PolarHBondContact O-N 3.2Å
585S34.7Very low30.3Very low119 Ų119150.3 Ų150.383%0.83284%0.84SS**  trans-23.2115.9152.2169.60000113.6
586S24.6Very low30.1Very low116 Ų116150 Ų15081%0.81184%0.837SS**  trans-136.5115151.675.40000109.1R584R584-S586 PolarHBondContact O-N 3.2Å
587S33.2Very low30Very low103 Ų103151.2 Ų151.272%0.7283%0.826SS**  trans-80.7117.5172.749.20000109.7
588Q27.4Very low30.1Very low179 Ų179145.2 Ų145.284%0.83682%0.818SS**  trans-131.7142.2151-82.1-68.5-31.100108.8
589P28.2Very low30.7Very low112 Ų112143 Ų14373%0.72781%0.811SS**  trans-84.9121.9-16131.9-30000111.8
590A27.8Very low31.3Very low88 Ų88140.5 Ų140.573%0.72780%0.798SS**  trans-65130.8160.200000109.5K592A590-K592 PolarHBondContact O-N 2.97Å
591A33.6Very low31.6Very low108 Ų108139.3 Ų139.389%0.89379%0.789SS**  trans-61.194.6174.700000110.6R593A591-R593 PolarHBondContact O-N 2.85Å
592K29.6Very low31.7Very low196 Ų196139.1 Ų139.185%0.85278%0.784SS**  trans-74.6120.6169.7-82.5-177.2175.2178.40109.5A590 Q594A590-K592 PolarHBondContact O-N 2.97Å; K592-Q594 PolarHBondContact O-N 3.18Å; K592-Q594 VanDerWaalsContact O-N 3.16Å
593R34.3Very low32.1Very low246 Ų246143 Ų14393%0.92879%0.789SS**  trans-51118.9155.5-87.3178.4162.3-174.6-4.6108.3A591 K595A591-R593 PolarHBondContact O-N 2.85Å; R593-K595 PolarHBondContact O-N 3.03Å
594Q30.3Very low32.4Very low194 Ų194140 Ų14091%0.90778%0.78SS**  trans-66102.8179.3-166.5173.35.200109.2K592K592-Q594 PolarHBondContact O-N 3.18Å; K592-Q594 VanDerWaalsContact O-N 3.16Å
595K35.2Very low32.9Very low201 Ų201134.8 Ų134.887%0.87478%0.775SS**PPolyproline II helixtrans-70.9128162.3-90.3-175.1174.5-178.60107.9R593R593-K595 PolarHBondContact O-N 3.03Å
596L29.4Very low32.9Very low157 Ų157134.9 Ų134.982%0.82277%0.77SS**PPolyproline II helixtrans-58.6132.4175.8-90.2142.3000110.8
597N32Very low33.7Very low103 Ų103138.2 Ų138.255%0.55177%0.77SS**PPolyproline II helixtrans-79.8128.2174.5-164.63.2000108.6A599 D600N597-A599 PolarHBondContact O-N 3.11Å; N597-D600 PolarHBondContact O-N 3.36Å; N597-D600 VanDerWaalsContact O-N 3.09Å
598P36.8Very low34.2Very low114 Ų114139.1 Ų139.174%0.7477%0.771SS**G310 helixtrans-60.4-14.4179.5-22.932.6000114.5D600 A601P598-D600 PolarHBondContact O-N 3.11Å; P598-A601 PolarHBondContact O-N 3.45Å
599A38.2Very low34.9Very low82 Ų82131.9 Ų131.968%0.67874%0.742SS**G310 helixtrans-72.1-10.4175.200000114.5N597N597-A599 PolarHBondContact O-N 3.11Å
600D38.8Very low36.4Very low130 Ų130130 Ų13070%0.69573%0.728SS**G310 helixtrans-98.38.1176.4-78.7-37.7000113.4N597 P598N597-D600 PolarHBondContact O-N 3.36Å; N597-D600 VanDerWaalsContact O-N 3.09Å; P598-D600 PolarHBondContact O-N 3.11Å
601A35.6Very low38.1Very low71 Ų71134.8 Ų134.859%0.58773%0.733SS**SBendtrans-69.612816900000109.8P598 N603P598-A601 PolarHBondContact O-N 3.45Å; A601-N603 PolarHBondContact O-N 3.18Å
602P31.6Very low39.2Very low123 Ų123135.1 Ų135.180%0.79972%0.72SS**PPolyproline II helixtrans-62.3133.2176.724.8-31.3000109.9
603N35.2Very low40.7Very low152 Ų152128.3 Ų128.381%0.81370%0.695SS**PPolyproline II helixtrans-46.9132.4175.5-91.9-21.4000110.9A601 V605A601-N603 PolarHBondContact O-N 3.18Å; N603-V605 PolarHBondContact O-N 2.96Å
604P39.3Very low42.4Very low106 Ų106123.8 Ų123.869%0.68868%0.678SS**PPolyproline II helixtrans-61.7124171.125.6-31.3000108.4V606P604-V606 WeakPolarHBondContact O-CG2 3.49Å; P604-V606 PolarHBondContact O-N 3.33Å
605V35.2Very low44.2Very low131 Ų131117.5 Ų117.579%0.79466%0.659SS**  trans-66.398.9170.4177.90000106.9N603 F607N603-V605 PolarHBondContact O-N 2.96Å; V605-F607 HydrophobicContact CG1-CD2 4.47Å; V605-F607 PolarHBondContact O-N 3.17Å
606V35.2Very low45.6Very low121 Ų121112.3 Ų112.373%0.73364%0.64SS**  trans-81110.6176.5-154.50000107.9P604 V608P604-V606 WeakPolarHBondContact O-CG2 3.49Å; P604-V606 PolarHBondContact O-N 3.33Å; V606-V608 PolarHBondContact O-N 3.48Å
607F40.3Very low47.3Very low185 Ų185111.3 Ų111.381%0.81163%0.625SS**  trans-76.5107.2172-115.9-88.8000109V605 A609V605-F607 HydrophobicContact CG1-CD2 4.47Å; V605-F607 PolarHBondContact O-N 3.17Å; F607-A609 PolarHBondContact O-N 2.84Å
608V44.3Very low49.4Very low123 Ų123115.1 Ų115.175%0.74564%0.637SS**  trans-76.4117.3173.2-178.80000108.6V606 T610V606-V608 PolarHBondContact O-N 3.48Å; V608-T610 PolarHBondContact O-N 3.25Å
609A41.9Very low50.9Low26 Ų26112.2 Ų112.222%0.21562%0.623CS.*  trans-71.8109.3179.700000110.9F607 T613F607-A609 PolarHBondContact O-N 2.84Å; A609-T613 VanDerWaalsContact CA-OG1 3.32Å; A609-T613 WeakPolarHBondContact CA-OG1 3.46Å
610T60.7Low52.4Low72 Ų72109.5 Ų109.544%0.44260%0.597SS.*  trans-66.8161.5169.665.60000111.3V608 D612 T613 R614V608-T610 PolarHBondContact O-N 3.25Å; T610-D612 PolarHBondContact O-N 2.89Å; T610-T613 PolarHBondContact N-OG1 3.33Å; T610-T613 PolarHBondContact O-N 3.23Å; T610-T613 VanDerWaalsContact O-N 3.13Å; T610-T613 PolarHBondContact O-OG1 2.98Å; T610-T613 WeakPolarHBondContact OG1-CG2 3.44Å; T610-T613 PolarHBondContact OG1-N 2.95Å; T610-T613 PolarHBondContact OG1-OG1 3.03Å; T610-R614 PolarHBondContact O-N 3.44Å
611K62.5Low54.2Low190 Ų190107.2 Ų107.283%0.82659%0.587SS**Hα-helixtrans-53-38.9176.7-162.9175.8-179.4-178.50111.5R614 A615K611-R614 PolarHBondContact O-N 3.24Å; K611-A615 PolarHBondContact O-N 3.36Å
612D55.9Low55.6Low115 Ų115109.6 Ų109.662%0.61559%0.586SS**Hα-helixtrans-68.9-45178.6-50.4-32000112T610 R614 A615 L616T610-D612 PolarHBondContact O-N 2.89Å; D612-R614 PolarHBondContact O-N 2.87Å; D612-A615 PolarHBondContact O-N 3.37Å; D612-L616 WeakPolarHBondContact O-CB 3.27Å; D612-L616 WeakPolarHBondContact O-CD1 3.36Å; D612-L616 PolarHBondContact O-N 3.42Å
613T61.6Low57.4Low53 Ų53108.5 Ų108.533%0.32557%0.573SS.*Hα-helixtrans-65.6-25.5175.962.60000112.8A609 T610 R617A609-T613 VanDerWaalsContact CA-OG1 3.32Å; A609-T613 WeakPolarHBondContact CA-OG1 3.46Å; T610-T613 PolarHBondContact N-OG1 3.33Å; T610-T613 PolarHBondContact O-N 3.23Å; T610-T613 VanDerWaalsContact O-N 3.13Å; T610-T613 PolarHBondContact O-OG1 2.98Å; T610-T613 WeakPolarHBondContact OG1-CG2 3.44Å; T610-T613 PolarHBondContact OG1-N 2.95Å; T610-T613 PolarHBondContact OG1-OG1 3.03Å; T613-R617 PolarHBondContact O-N 3.42Å; T613-R617 VanDerWaalsContact O-N 3.15Å
614R70.4Confident59Low151 Ų151105.2 Ų105.257%0.5755%0.553SS**Hα-helixtrans-77.6-39175.3-152.3-178.9-62.4-141.12.9111.4T610 K611 D612 R617 K618T610-R614 PolarHBondContact O-N 3.44Å; K611-R614 PolarHBondContact O-N 3.24Å; D612-R614 PolarHBondContact O-N 2.87Å; R614-R617 PolarHBondContact O-N 3.14Å; R614-K618 WeakPolarHBondContact O-CG 3.5Å; R614-K618 PolarHBondContact O-N 2.82Å; R614-K618 VanDerWaalsContact O-N 3.13Å
615A68.3Low60.4Low62 Ų62103.5 Ų103.551%0.51254%0.537SS..Hα-helixtrans-65.5-44.7173.100000111.7K611 D612 R617 K618 A619K611-A615 PolarHBondContact O-N 3.36Å; D612-A615 PolarHBondContact O-N 3.37Å; A615-R617 VanDerWaalsContact C-N 3.34Å; A615-R617 PolarHBondContact O-N 3Å; A615-K618 PolarHBondContact O-N 3.19Å; A615-K618 VanDerWaalsContact O-N 3.14Å; A615-A619 PolarHBondContact O-N 3.18Å; A615-A619 VanDerWaalsContact O-N 3.15Å
616L64.6Low61.8Low91 Ų91103.8 Ų103.848%0.47652%0.523SS..Hα-helixtrans-59.2-40.5173.7-97.6130.8000112.8D612 A619 V638D612-L616 WeakPolarHBondContact O-CB 3.27Å; D612-L616 WeakPolarHBondContact O-CD1 3.36Å; D612-L616 PolarHBondContact O-N 3.42Å; L616-A619 PolarHBondContact O-N 3.07Å; L616-V638 HydrophobicContact CD2-CB 4.48Å; L616-V638 HydrophobicContact CD2-CG1 4.36Å; L616-V638 HydrophobicContact CD2-CG2 3.81Å
617R65.8Low63.3Low136 Ų136106 Ų10651%0.51352%0.518SS..Hα-helixtrans-64.1-38.3173.8-87.7-172.1-120.8174.6-5.6113T613 R614 A615 A619 L620T613-R617 PolarHBondContact O-N 3.42Å; T613-R617 VanDerWaalsContact O-N 3.15Å; R614-R617 PolarHBondContact O-N 3.14Å; A615-R617 VanDerWaalsContact C-N 3.34Å; A615-R617 PolarHBondContact O-N 3Å; R617-A619 PolarHBondContact O-N 2.71Å; R617-L620 PolarHBondContact O-N 3.37Å
618K74.8Confident64.3Low183 Ų18398.3 Ų98.380%0.79649%0.489SS*.Hα-helixtrans-68.1-24.5177.8-75.7-175.2175.6-169.40112.8R614 A615 L620R614-K618 WeakPolarHBondContact O-CG 3.5Å; R614-K618 PolarHBondContact O-N 2.82Å; R614-K618 VanDerWaalsContact O-N 3.13Å; A615-K618 PolarHBondContact O-N 3.19Å; A615-K618 VanDerWaalsContact O-N 3.14Å; K618-L620 VanDerWaalsContact C-N 3.32Å
619A69.9Low65Low54 Ų5496.3 Ų96.345%0.44649%0.486SS..THydrogen-bonded Turntrans-82.4-4.5177.300000114A615 L616 R617 V638A615-A619 PolarHBondContact O-N 3.18Å; A615-A619 VanDerWaalsContact O-N 3.15Å; L616-A619 PolarHBondContact O-N 3.07Å; R617-A619 PolarHBondContact O-N 2.71Å; A619-V638 HydrophobicContact CB-CG1 4.15Å
620L69.1Low65.7Low25 Ų25104.8 Ų104.813%0.13151%0.512CS..SBendtrans-105.3135.3178.9-66.6171.1000110.6R617 K618 E624 M625 L636 V638R617-L620 PolarHBondContact O-N 3.37Å; K618-L620 VanDerWaalsContact C-N 3.32Å; L620-E624 HydrophobicContact CD2-CB 4.46Å; L620-M625 HydrophobicContact CB-CG 3.95Å; L620-M625 HydrophobicContact CD1-CG 4.4Å; L620-L636 HydrophobicContact CD1-CD1 4.09Å; L620-V638 HydrophobicContact CD2-CG2 4.34Å
621T76.8Confident65.7Low81 Ų81109.3 Ų109.350%0.49752%0.521SS..  trans-70.1158.3172.564.70000111.1L623 E624 M625T621-L623 PolarHBondContact O-N 2.99Å; T621-E624 WeakPolarHBondContact CB-OE2 3.29Å; T621-E624 WeakPolarHBondContact CG2-OE2 3.12Å; T621-E624 PolarHBondContact N-OE2 3.4Å; T621-E624 PolarHBondContact O-N 2.94Å; T621-E624 VanDerWaalsContact O-N 3.08Å; T621-E624 VanDerWaalsContact OG1-CD 3.23Å; T621-E624 VanDerWaalsContact OG1-CG 3.25Å; T621-E624 WeakPolarHBondContact OG1-CG 3.37Å; T621-E624 PolarHBondContact OG1-N 2.68Å; T621-E624 PolarHBondContact OG1-OE2 2.96Å; T621-M625 PolarHBondContact O-N 3.44Å
622H65.4Low65.2Low121 Ų121105.4 Ų105.456%0.5652%0.516SS*.Hα-helixtrans-60.2-31.6-180-172.2-126.7000113.1R626H622-R626 PolarHBondContact CE1-NE 2.86Å; H622-R626 VanDerWaalsContact CE1-NE 3.27Å; H622-R626 PolarHBondContact CE1-NH2 3.45Å; H622-R626 WeakPolarHBondContact O-CG 3.38Å; H622-R626 PolarHBondContact O-N 3.2Å; H622-R626 VanDerWaalsContact O-N 3.16Å
623L67.5Low64.7Low100 Ų100106.9 Ų106.952%0.52452%0.523SS..Hα-helixtrans-70.4-40.3175-173.763.6000112T621 R626 R627T621-L623 PolarHBondContact O-N 2.99Å; L623-R626 PolarHBondContact O-N 3.25Å; L623-R627 WeakPolarHBondContact O-CG 3.13Å; L623-R627 PolarHBondContact O-N 3.36Å
624E69.9Low64.6Low83 Ų83109.4 Ų109.439%0.38853%0.534SS..Hα-helixtrans-67.7-39.7176.9-71.1165.9139.200111.6L620 T621 R626 R627 A628L620-E624 HydrophobicContact CD2-CB 4.46Å; T621-E624 WeakPolarHBondContact CB-OE2 3.29Å; T621-E624 WeakPolarHBondContact CG2-OE2 3.12Å; T621-E624 PolarHBondContact N-OE2 3.4Å; T621-E624 PolarHBondContact O-N 2.94Å; T621-E624 VanDerWaalsContact O-N 3.08Å; T621-E624 VanDerWaalsContact OG1-CD 3.23Å; T621-E624 VanDerWaalsContact OG1-CG 3.25Å; T621-E624 WeakPolarHBondContact OG1-CG 3.37Å; T621-E624 PolarHBondContact OG1-N 2.68Å; T621-E624 PolarHBondContact OG1-OE2 2.96Å; E624-R626 VanDerWaalsContact C-N 3.35Å; E624-R626 PolarHBondContact O-N 3.01Å; E624-R627 PolarHBondContact O-N 3.39Å; E624-A628 VanDerWaalsContact O-CB 3.28Å; E624-A628 WeakPolarHBondContact O-CB 3.21Å; E624-A628 PolarHBondContact O-N 2.87Å
625M68.4Low64.1Low71 Ų71107.9 Ų107.935%0.3554%0.544SS..Hα-helixtrans-60.5-42.2172.7-78.1-168.6-75.500112.2L620 T621 A628 A629L620-M625 HydrophobicContact CB-CG 3.95Å; L620-M625 HydrophobicContact CD1-CG 4.4Å; T621-M625 PolarHBondContact O-N 3.44Å; M625-A628 PolarHBondContact O-N 3.14Å; M625-A629 WeakPolarHBondContact O-CB 3.42Å; M625-A629 PolarHBondContact O-N 3.46Å
626R65.2Low63.9Low136 Ų136109.4 Ų109.451%0.51354%0.543SS..Hα-helixtrans-66.4-39.4176.5-74.6177.7-177.3-160.4-4.6112.2H622 L623 E624 R630H622-R626 PolarHBondContact CE1-NE 2.86Å; H622-R626 VanDerWaalsContact CE1-NE 3.27Å; H622-R626 PolarHBondContact CE1-NH2 3.45Å; H622-R626 WeakPolarHBondContact O-CG 3.38Å; H622-R626 PolarHBondContact O-N 3.2Å; H622-R626 VanDerWaalsContact O-N 3.16Å; L623-R626 PolarHBondContact O-N 3.25Å; E624-R626 VanDerWaalsContact C-N 3.35Å; E624-R626 PolarHBondContact O-N 3.01Å; R626-R630 VanDerWaalsContact O-CG 3.28Å; R626-R630 WeakPolarHBondContact O-CG 3.47Å; R626-R630 PolarHBondContact O-N 2.94Å
627R65.4Low63.7Low167 Ų167114.8 Ų114.863%0.6356%0.563SS**Hα-helixtrans-66.8-41.8175.2-74.7-179.5-174.7172.91.9111.7L623 E624 R630 R631L623-R627 WeakPolarHBondContact O-CG 3.13Å; L623-R627 PolarHBondContact O-N 3.36Å; E624-R627 PolarHBondContact O-N 3.39Å; R627-R630 PolarHBondContact O-N 3.26Å; R627-R631 PolarHBondContact O-N 3.49Å
628A62.5Low63.5Low24 Ų24111 Ų11120%0.19855%0.554CS.*Hα-helixtrans-60.5-45176.100000112.2E624 M625 R630 R631 L636E624-A628 VanDerWaalsContact O-CB 3.28Å; E624-A628 WeakPolarHBondContact O-CB 3.21Å; E624-A628 PolarHBondContact O-N 2.87Å; M625-A628 PolarHBondContact O-N 3.14Å; A628-R630 VanDerWaalsContact C-N 3.25Å; A628-R630 PolarHBondContact O-N 3.27Å; A628-R631 CarbonylContact O-C 3.58Å; A628-R631 VanDerWaalsContact O-C 3.24Å; A628-R631 PolarHBondContact O-N 3.01Å; A628-L636 HydrophobicContact CB-CD1 4.06Å; A628-L636 HydrophobicContact CB-CD2 3.51Å; A628-L636 HydrophobicContact CB-CG 4.31Å
629A57.9Low62.5Low82 Ų82111.2 Ų111.268%0.67856%0.555SS**Hα-helixtrans-64.5-29.5178.500000113M625M625-A629 WeakPolarHBondContact O-CB 3.42Å; M625-A629 PolarHBondContact O-N 3.46Å
630R58Low61.3Low203 Ų203114.6 Ų114.677%0.76657%0.573SS**Hα-helixtrans-82.4-16.6177.4-68.7174.1-173.3-173.81113.4R626 R627 A628R626-R630 VanDerWaalsContact O-CG 3.28Å; R626-R630 WeakPolarHBondContact O-CG 3.47Å; R626-R630 PolarHBondContact O-N 2.94Å; R627-R630 PolarHBondContact O-N 3.26Å; A628-R630 VanDerWaalsContact C-N 3.25Å; A628-R630 PolarHBondContact O-N 3.27Å
631R60.3Low60Low167 Ų167119.4 Ų119.463%0.6360%0.603SS**  trans-142.171.4-179.6-61.1-172.1178.8-176.4-0.9111.5R627 A628 N633 L634R627-R631 PolarHBondContact O-N 3.49Å; A628-R631 CarbonylContact O-C 3.58Å; A628-R631 VanDerWaalsContact O-C 3.24Å; A628-R631 PolarHBondContact O-N 3.01Å; R631-N633 PolarHBondContact O-N 3.36Å; R631-L634 HydrophobicContact CB-CD1 4Å; R631-L634 PolarHBondContact O-N 2.94Å
632P51.8Low58.1Low109 Ų109123.4 Ų123.471%0.70862%0.621SS**THydrogen-bonded Turntrans-68.2-9.6-169.827.1-35000115
633N46.3Very low56.8Low146 Ų146126.3 Ų126.378%0.78164%0.637SS**THydrogen-bonded Turntrans-97.93.7-176.731.6-50.9000113.5R631R631-N633 PolarHBondContact O-N 3.36Å
634L58.9Low55.1Low106 Ų106125.7 Ų125.756%0.55565%0.646SS**SBendtrans-103.5133.5174-83.9159.5000111R631R631-L634 HydrophobicContact CB-CD1 4Å; R631-L634 PolarHBondContact O-N 2.94Å
635P59.8Low53.7Low119 Ų119128.6 Ų128.677%0.77367%0.669SS**PPolyproline II helixtrans-68.9134.9-179.826.8-32.4000111.6
636L64.6Low51.9Low93 Ų93136.5 Ų136.549%0.48770%0.695SS.*PPolyproline II helixtrans-82122.2177.4-65.5168.2000110.2L620 A628 V638L620-L636 HydrophobicContact CD1-CD1 4.09Å; A628-L636 HydrophobicContact CB-CD1 4.06Å; A628-L636 HydrophobicContact CB-CD2 3.51Å; A628-L636 HydrophobicContact CB-CG 4.31Å; L636-V638 HydrophobicContact CB-CG2 4.41Å; L636-V638 PolarHBondContact O-N 3.39Å
637K59Low50.4Low205 Ų205135.1 Ų135.189%0.89170%0.704SS**  trans-82.7100.2172.2-71.4-173178-1770109.1
638V61.8Low48.8Very low56 Ų56133.3 Ų133.334%0.33971%0.714SS.*PPolyproline II helixtrans-95121.1176.8-172.40000107.8L616 A619 L620 L636L616-V638 HydrophobicContact CD2-CB 4.48Å; L616-V638 HydrophobicContact CD2-CG1 4.36Å; L616-V638 HydrophobicContact CD2-CG2 3.81Å; A619-V638 HydrophobicContact CB-CG1 4.15Å; L620-V638 HydrophobicContact CD2-CG2 4.34Å; L636-V638 HydrophobicContact CB-CG2 4.41Å; L636-V638 PolarHBondContact O-N 3.39Å
639K53.3Low47.5Very low188 Ų188138.6 Ų138.682%0.81774%0.743SS**PPolyproline II helixtrans-68.9135.7175.7-79.1-176.9177.4179.40109.6T641K639-T641 PolarHBondContact O-N 3.3Å
640P45.3Very low46.4Very low125 Ų125140.4 Ų140.481%0.81275%0.748SS**PPolyproline II helixtrans-68.5123.8174.5-5.219.4000109.5L642P640-L642 PolarHBondContact O-N 3.26Å
641T42.2Very low45.3Very low125 Ų125139 Ų13977%0.76776%0.755SS**  trans-69.8113.1169.6170000109.7K639 M643K639-T641 PolarHBondContact O-N 3.3Å; T641-M643 PolarHBondContact O-N 3.47Å
642L37.3Very low44.1Very low165 Ų165136.8 Ų136.886%0.86476%0.762SS**  trans-58.4121.7166.4-74.3163.5000109.1P640 A644P640-L642 PolarHBondContact O-N 3.26Å; L642-A644 VanDerWaalsContact C-N 3.32Å; L642-A644 PolarHBondContact O-N 3.27Å
643M37.4Very low43.2Very low182 Ų182136.1 Ų136.190%0.89777%0.766SS**  trans-68.591.1166.8-67.8-97.596.900108T641T641-M643 PolarHBondContact O-N 3.47Å
644A32.8Very low42.7Very low88 Ų88135 Ų13573%0.72777%0.767SS**  trans-90108.1169.600000109.1L642L642-A644 VanDerWaalsContact C-N 3.32Å; L642-A644 PolarHBondContact O-N 3.27Å
645V39.6Very low41.5Very low144 Ų144135.8 Ų135.887%0.87378%0.781SS**  trans-60127164.7175.60000108.1
646R30.9Very low40.2Very low236 Ų236138.8 Ų138.889%0.89178%0.784SS**  trans-108.8141.2170.6-116-172.7171.9-177.6-2.9109.8
647P32.8Very low39.2Very low108 Ų108139.9 Ų139.970%0.70180%0.797SS**  trans-79.8166-172.634.9-33.3000111.9
648P32.5Very low37.8Very low129 Ų129135 Ų13584%0.83879%0.794SS**  trans-78.8145.9-174.232.9-32.3000111.7
649V34.2Very low36.3Very low135 Ų135137.8 Ų137.882%0.81882%0.816SS**  trans-111.3144.2173.1175.70000108.7
650P35.4Very low35.5Very low120 Ų120134.5 Ų134.578%0.77981%0.812SS**PPolyproline II helixtrans-82.7158.5-161.8-5.825000114.6
651L34.8Very low34.9Very low172 Ų172136.2 Ų136.290%0.90182%0.815SS**PPolyproline II helixtrans-77.8146.7175.4-72.4160.5000112.3
652P35.3Very low34.5Very low122 Ų122137.7 Ų137.779%0.79281%0.813SS**PPolyproline II helixtrans-87.2148.7172.233.5-28.7000112.5
653A34.2Very low34.4Very low94 Ų94135.7 Ų135.778%0.77781%0.81SS**PPolyproline II helixtrans-77.6161.6-178.600000113.4
654P35.6Very low34.4Very low123 Ų123132.8 Ų132.880%0.79980%0.797SS**PPolyproline II helixtrans-91.5144.3-175.335.8-30.1000112.2
655S32.2Very low34.4Very low122 Ų122135.3 Ų135.385%0.85380%0.803SS**  trans-111.7134.1168.950.50000111.5
656H32.7Very low34.2Very low183 Ų183135.7 Ų135.785%0.84780%0.799SS**  trans-80.8170.3177.9-89.9-78.8000112.8
657P44Very low34.2Very low116 Ų116133 Ų13375%0.75380%0.797SS**  trans-101.9173.7-160.539.3-33.2000115.5
658A30Very low34.6Very low101 Ų101139.1 Ų139.184%0.83582%0.824SS**  trans89.2117.9160.500000118.7
659S29.7Very low34.7Very low115 Ų115139.7 Ų139.780%0.80482%0.823SS**  178.8138.4113.7-175.20000110.8
660T37.8Very low34.7Very low119 Ų119139.9 Ų139.973%0.7382%0.823SS**  trans-57.314417045.80000113.2
661N31Very low34.6Very low161 Ų161141 Ų14186%0.86183%0.825SS**  trans-174.9117.6136.1-89.9-15.6000109.8
662E35.3Very low34.6Very low156 Ų156139.2 Ų139.273%0.72982%0.821SS**  trans-66.9167.1162-57.9-175.4137.300110.3
663P35.3Very low34.6Very low123 Ų123140.3 Ų140.380%0.79982%0.823SS**  -136.2151.883.327.3-8.1000115.1
664I36.1Very low34.6Very low122 Ų122143.3 Ų143.363%0.62683%0.826SS**  trans-66.9141.1169-65.6159.3000110.2
665V33.5Very low34.5Very low141 Ų141144.8 Ų144.886%0.85583%0.828SS**  trans-128.2117.4161.7-179.60000108.2
666L34.6Very low34.7Very low151 Ų151146.5 Ų146.579%0.79183%0.826SS**  trans-102.2132.3161.2-82157.5000106.8
667E32.3Very low34.9Very low180 Ų180143.5 Ų143.584%0.84182%0.824SS**  179.7135.8125.6-98.8-178.517600111.1
668D39.4Very low34.1Very low237 Ų237146 Ų146100%1.26783%0.831SS**  trans53.30168.5-64.2-10.3000122.8

Retrieved 668 of 668 residues in 113.2 ms (Link to these results)

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