A0A087XWM7_POEFO Loading...

Metastasis associated 1 family, member 3

AlphaFold DB , UniProt , Accession A0A087XWM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 700 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
1M43.4Very low84Confident215 Ų21572.1 Ų72.1100%1.05942%0.419SS*.  0-48.90-71.8178.4-177.300113.8A3 N4M1-A3 PolarHBondContact O-N 3.17Å; M1-N4 PolarHBondContact O-N 3.41Å
2A59.4Low85.1Confident87 Ų8766.1 Ų66.172%0.71938%0.384SS*.G310 helixtrans-56.9-33.2-169.200000117.2N4 M5A2-N4 PolarHBondContact O-N 2.73Å; A2-M5 WeakPolarHBondContact O-CB 3.43Å; A2-M5 PolarHBondContact O-N 3.23Å; A2-M5 VanDerWaalsContact O-N 3.12Å
3A68.8Low86Confident80 Ų8061.2 Ų61.266%0.66136%0.355SS*.G310 helixtrans-59.2-29.7-175.300000114.5M1M1-A3 PolarHBondContact O-N 3.17Å
4N86.1Confident86.6Confident35 Ų3557 Ų5719%0.18733%0.331CS..G310 helixtrans-93.210-177.7-76.98.1000113.4M1 A2 Y6 Y338 I339 T341M1-N4 PolarHBondContact O-N 3.41Å; A2-N4 PolarHBondContact O-N 2.73Å; N4-Y6 WeakPolarHBondContact O-CD2 3.11Å; N4-Y6 WeakPolarHBondContact O-CE2 3.33Å; N4-Y338 HydrophobicContact CB-CD2 3.94Å; N4-Y338 HydrophobicContact CB-CE2 3.42Å; N4-Y338 VanDerWaalsContact CB-CE2 3.42Å; N4-Y338 WeakPolarHBondContact O-CA 3.41Å; N4-I339 WeakPolarHBondContact CB-O 3.45Å; N4-I339 PolarHBondContact ND2-O 3.07Å; N4-I339 PolarHBondContact O-N 2.84Å; N4-T341 PolarHBondContact ND2-OG1 3.01Å; N4-T341 VanDerWaalsContact ND2-OG1 3.09Å
5M92.3Very high87Confident54 Ų5455.1 Ų55.127%0.26632%0.317SS..EExtended strand (participates in β ladder)trans-104.5114.9-179.6-174.667.470.800111A2 K108 Q336 Y338A2-M5 WeakPolarHBondContact O-CB 3.43Å; A2-M5 PolarHBondContact O-N 3.23Å; A2-M5 VanDerWaalsContact O-N 3.12Å; M5-K108 WeakPolarHBondContact O-CE 2.99Å; M5-K108 PolarHBondContact O-NZ 2.78Å; M5-Q336 HydrophobicContact SD-CB 4.09Å; M5-Q336 HydrophobicContact SD-CG 3.97Å; M5-Y338 HydrophobicContact CE-CD2 4.27Å
6Y95Very high87Confident11 Ų1159.2 Ų59.24%0.04334%0.338CS..EExtended strand (participates in β ladder)trans-108.8147.4-176.2-58.8-90.7000110.7N4 D10 V12 I105 G107 K108 Q336 V337 I339N4-Y6 WeakPolarHBondContact O-CD2 3.11Å; N4-Y6 WeakPolarHBondContact O-CE2 3.33Å; Y6-D10 WeakPolarHBondContact CA-OD2 3.48Å; Y6-V12 HydrophobicContact CD1-CG1 3.56Å; Y6-V12 HydrophobicContact CE1-CG1 3.93Å; Y6-I105 HydrophobicContact CD1-CG2 3.77Å; Y6-I105 HydrophobicContact CD2-CG2 4.45Å; Y6-I105 HydrophobicContact CE1-CG2 3.36Å; Y6-I105 HydrophobicContact CE2-CG2 4.13Å; Y6-I105 HydrophobicContact CG-CG2 4.28Å; Y6-G107 WeakPolarHBondContact OH-CA 3.5Å; Y6-G107 PolarHBondContact OH-N 2.85Å; Y6-K108 HydrophobicContact CD1-CD 4.35Å; Y6-K108 HydrophobicContact CD1-CG 3.8Å; Y6-K108 HydrophobicContact CE1-CD 4.46Å; Y6-K108 HydrophobicContact CE1-CG 3.54Å; Y6-Q336 CarbonylContact O-C 3.2Å; Y6-Q336 WeakPolarHBondContact O-CA 3.43Å; Y6-Q336 WeakPolarHBondContact O-CB 3.38Å; Y6-V337 PolarHBondContact N-O 2.8Å; Y6-V337 PolarHBondContact O-N 3.33Å; Y6-I339 HydrophobicContact CD2-CB 4.22Å; Y6-I339 HydrophobicContact CD2-CD1 3.59Å; Y6-I339 HydrophobicContact CD2-CG1 3.92Å; Y6-I339 HydrophobicContact CE2-CB 4.02Å; Y6-I339 HydrophobicContact CE2-CD1 3.92Å; Y6-I339 HydrophobicContact CE2-CG1 4.21Å; Y6-I339 HydrophobicContact CG-CD1 4.27Å
7R95.3Very high86.9Confident121 Ų12158.2 Ų58.246%0.45734%0.336SS..EExtended strand (participates in β ladder)trans-129.1154.9-171.8-60.2-177.1175.9-69.2-11.8110.6G9 D10 Q336R7-G9 PolarHBondContact O-N 2.94Å; R7-D10 PolarHBondContact N-OD2 3.45Å; R7-D10 WeakPolarHBondContact O-CB 3.35Å; R7-D10 PolarHBondContact O-N 3.08Å; R7-D10 VanDerWaalsContact O-N 3.09Å; R7-Q336 HydrophobicContact CG-CB 4.2Å; R7-Q336 VanDerWaalsContact CZ-OE1 3.25Å; R7-Q336 VanDerWaalsContact NH2-OE1 3.12Å
8V94.9Very high86.6Confident67 Ų6757.1 Ų57.141%0.40633%0.331SS..THydrogen-bonded Turntrans-58.1133.8161.7174.80000108.8I27 E28 L30 K335V8-I27 HydrophobicContact CG2-CG2 4.31Å; V8-E28 VanDerWaalsContact CG1-O 3.24Å; V8-E28 WeakPolarHBondContact CG1-O 3.35Å; V8-L30 HydrophobicContact CG2-CD1 4.3Å; V8-L30 HydrophobicContact CG2-CG 4.18Å; V8-K335 PolarHBondContact N-O 3.3Å
9G95.1Very high86.5Confident44 Ų4457.2 Ų57.245%0.45434%0.336SS..THydrogen-bonded Turntrans93.8-16.9-171.500000115.4R7 I27R7-G9 PolarHBondContact O-N 2.94Å; G9-I27 PolarHBondContact N-O 3.32Å
10D96.4Very high86.7Confident32 Ų3258.9 Ų58.917%0.17134%0.344CS..  trans-67.6140.7177.4-76.4-26.9000111.5Y6 R7 V12 R26 I27 K108Y6-D10 WeakPolarHBondContact CA-OD2 3.48Å; R7-D10 PolarHBondContact N-OD2 3.45Å; R7-D10 WeakPolarHBondContact O-CB 3.35Å; R7-D10 PolarHBondContact O-N 3.08Å; R7-D10 VanDerWaalsContact O-N 3.09Å; D10-V12 HydrophobicContact CB-CG1 4.24Å; D10-R26 WeakPolarHBondContact O-CA 3.49Å; D10-I27 HydrophobicContact CB-CD1 4.38Å; D10-I27 PolarHBondContact O-N 3.44Å; D10-K108 IonicContact OD1-NZ 2.75Å; D10-K108 PolarHBondContact OD1-NZ 3.27Å; D10-K108 WeakPolarHBondContact OD2-CE 3.44Å; D10-K108 IonicContact OD2-NZ 3.43Å; D10-K108 PolarHBondContact OD2-NZ 3.22Å
11Y97.5Very high87Confident47 Ų4756.4 Ų56.418%0.18433%0.329CS..EExtended strand (participates in β ladder)trans-87.5137.2162.3-59.6-88.1000110R25 R26 F45 K108 C109 V111Y11-R25 WeakPolarHBondContact CA-O 3.37Å; Y11-R26 HydrophobicContact CD1-CB 3.72Å; Y11-R26 HydrophobicContact CD1-CG 3.95Å; Y11-R26 HydrophobicContact CE1-CB 3.75Å; Y11-R26 HydrophobicContact CE1-CG 3.82Å; Y11-R26 HydrophobicContact CG-CG 4.43Å; Y11-F45 HydrophobicContact CD1-CE2 4.02Å; Y11-F45 HydrophobicContact CD1-CZ 4.33Å; Y11-F45 AromaticContact CE1-CE2 3.8Å; Y11-F45 HydrophobicContact CE1-CE2 3.8Å; Y11-F45 AromaticContact CE1-CZ 3.73Å; Y11-F45 HydrophobicContact CE1-CZ 3.73Å; Y11-K108 WeakPolarHBondContact O-CA 3.38Å; Y11-C109 VanDerWaalsContact C-SG 3.53Å; Y11-C109 PolarHBondContact O-N 2.68Å; Y11-V111 HydrophobicContact CD1-CB 3.64Å; Y11-V111 HydrophobicContact CD1-CG2 3.49Å; Y11-V111 VanDerWaalsContact CD1-CG2 3.49Å; Y11-V111 HydrophobicContact CD2-CB 4.43Å; Y11-V111 HydrophobicContact CE1-CB 3.71Å; Y11-V111 HydrophobicContact CE1-CG2 4.08Å; Y11-V111 HydrophobicContact CE2-CB 4.49Å; Y11-V111 VanDerWaalsContact CE2-O 3.29Å; Y11-V111 WeakPolarHBondContact CE2-O 3.28Å; Y11-V111 HydrophobicContact CG-CB 4.02Å; Y11-V111 HydrophobicContact CG-CG2 3.79Å
12V96.9Very high89.5Confident0 Ų047.8 Ų47.80%029%0.285CS..EExtended strand (participates in β ladder)trans-144.6148.9-167.5-750000114Y6 D10 F14 R25 I27 I105 G107 K108 C109Y6-V12 HydrophobicContact CD1-CG1 3.56Å; Y6-V12 HydrophobicContact CE1-CG1 3.93Å; D10-V12 HydrophobicContact CB-CG1 4.24Å; V12-F14 HydrophobicContact CG2-CD2 3.81Å; V12-F14 HydrophobicContact CG2-CE2 3.54Å; V12-R25 HydrophobicContact CG2-CB 4.48Å; V12-R25 PolarHBondContact N-O 2.87Å; V12-R25 PolarHBondContact O-N 3.25Å; V12-I27 HydrophobicContact CG1-CD1 4.06Å; V12-I27 HydrophobicContact CG1-CG1 4.48Å; V12-I27 HydrophobicContact CG2-CD1 4.12Å; V12-I27 HydrophobicContact CG2-CG1 3.77Å; V12-I105 HydrophobicContact CB-CG1 4.44Å; V12-I105 HydrophobicContact CB-CG2 4.02Å; V12-I105 HydrophobicContact CG1-CG2 3.97Å; V12-I105 HydrophobicContact CG2-CD1 4.37Å; V12-I105 HydrophobicContact CG2-CG1 4.33Å; V12-G107 WeakPolarHBondContact CA-O 3.44Å; V12-K108 HydrophobicContact CG1-CG 4.42Å; V12-C109 PolarHBondContact N-SG 2.74Å
13F96.5Very high91.2Very high3 Ų345.7 Ų45.71%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-84.6115.5169.4-67.6-61.2000110.7Y22 I24 I105 R106 G107 K108 C109 D128 F130 K410F13-Y22 HydrophobicContact CB-CD2 3.86Å; F13-Y22 HydrophobicContact CB-CG 3.92Å; F13-Y22 HydrophobicContact CD1-CD2 4.13Å; F13-Y22 HydrophobicContact CD1-CG 4.44Å; F13-Y22 HydrophobicContact CG-CD2 4Å; F13-Y22 HydrophobicContact CG-CG 4.42Å; F13-I24 HydrophobicContact CD1-CG1 4.32Å; F13-I24 HydrophobicContact CE1-CG1 4.24Å; F13-I105 CarbonylContact O-C 3.56Å; F13-I105 WeakPolarHBondContact O-CA 3.05Å; F13-R106 PolarHBondContact O-N 2.87Å; F13-G107 PolarHBondContact N-O 3.19Å; F13-K108 WeakPolarHBondContact CE2-O 3.39Å; F13-C109 HydrophobicContact CD2-CB 4.34Å; F13-C109 HydrophobicContact CE1-CB 4.21Å; F13-C109 HydrophobicContact CE2-CB 3.81Å; F13-C109 HydrophobicContact CZ-CB 3.75Å; F13-D128 HydrophobicContact CE2-CB 4.04Å; F13-D128 HydrophobicContact CZ-CB 4.17Å; F13-F130 AromaticContact CE1-CE2 3.8Å; F13-F130 HydrophobicContact CE1-CE2 3.8Å; F13-F130 AromaticContact CE1-CZ 3.83Å; F13-F130 HydrophobicContact CE1-CZ 3.83Å; F13-F130 AromaticContact CZ-CE2 3.76Å; F13-F130 HydrophobicContact CZ-CE2 3.76Å; F13-F130 HydrophobicContact CZ-CZ 4.08Å; F13-K410 HydrophobicContact CE1-CB 3.93Å; F13-K410 HydrophobicContact CE1-CG 4.23Å; F13-K410 HydrophobicContact CE2-CB 4.48Å; F13-K410 HydrophobicContact CE2-CD 3.83Å; F13-K410 HydrophobicContact CE2-CG 4.01Å; F13-K410 HydrophobicContact CZ-CB 3.77Å; F13-K410 HydrophobicContact CZ-CD 3.83Å; F13-K410 HydrophobicContact CZ-CG 3.8Å
14F95.1Very high92.6Very high2 Ų241.9 Ų41.91%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-98.5133.3173.7-94.3-97.7000112.1V12 Y22 L23 R25 A40 V42 L100 H104 I105V12-F14 HydrophobicContact CG2-CD2 3.81Å; V12-F14 HydrophobicContact CG2-CE2 3.54Å; F14-Y22 CarbonylContact O-C 3.56Å; F14-Y22 WeakPolarHBondContact O-CA 3.11Å; F14-L23 HydrophobicContact CB-CB 4.29Å; F14-L23 PolarHBondContact N-O 3.42Å; F14-L23 PolarHBondContact O-N 3.38Å; F14-R25 HydrophobicContact CB-CG 4.23Å; F14-R25 HydrophobicContact CD2-CB 3.8Å; F14-R25 HydrophobicContact CD2-CG 3.53Å; F14-R25 HydrophobicContact CE2-CB 4.04Å; F14-R25 HydrophobicContact CE2-CG 4.11Å; F14-R25 HydrophobicContact CG-CG 4.04Å; F14-A40 HydrophobicContact CZ-CB 4.09Å; F14-V42 HydrophobicContact CE2-CG1 3.84Å; F14-V42 HydrophobicContact CZ-CG1 3.85Å; F14-L100 HydrophobicContact CD1-CB 4.27Å; F14-L100 HydrophobicContact CD1-CD1 3.86Å; F14-L100 HydrophobicContact CE1-CB 3.7Å; F14-L100 HydrophobicContact CE1-CD1 4.03Å; F14-L100 HydrophobicContact CZ-CB 4.5Å; F14-H104 HydrophobicContact CD1-CB 3.61Å; F14-H104 HydrophobicContact CE1-CB 3.97Å; F14-I105 HydrophobicContact CD1-CG1 4.43Å; F14-I105 HydrophobicContact CD2-CG1 4.01Å; F14-I105 HydrophobicContact CE1-CG1 3.96Å; F14-I105 HydrophobicContact CE2-CD1 4.02Å; F14-I105 HydrophobicContact CE2-CG1 3.52Å; F14-I105 HydrophobicContact CG-CG1 4.45Å; F14-I105 HydrophobicContact CZ-CD1 3.88Å; F14-I105 HydrophobicContact CZ-CG1 3.49Å; F14-I105 VanDerWaalsContact CZ-CG1 3.49Å
15E92.1Very high93.1Very high28 Ų2840.9 Ų40.913%0.13122%0.224CC..  trans-101.7109.3172.1-174.3166.4-113.400111.7S17 Y22 H104 R106 K409E15-S17 WeakPolarHBondContact CG-O 3.25Å; E15-Y22 HydrophobicContact CB-CD1 3.86Å; E15-Y22 HydrophobicContact CB-CE1 3.9Å; E15-Y22 HydrophobicContact CG-CD1 4.33Å; E15-Y22 HydrophobicContact CG-CE1 4.16Å; E15-Y22 WeakPolarHBondContact OE1-CE1 3.46Å; E15-H104 PolarHBondContact N-O 2.98Å; E15-R106 HydrophobicContact CB-CG 3.75Å; E15-R106 IonicContact OE2-CZ 3.16Å; E15-R106 VanDerWaalsContact OE2-CZ 3.26Å; E15-R106 IonicContact OE2-NE 2.66Å; E15-R106 PolarHBondContact OE2-NE 3.06Å; E15-R106 IonicContact OE2-NH2 2.86Å; E15-R106 PolarHBondContact OE2-NH2 2.94Å; E15-K409 IonicContact OE1-NZ 2.55Å; E15-K409 PolarHBondContact OE1-NZ 2.85Å
16N86.8Confident93.3Very high121 Ų12141.8 Ų41.865%0.64722%0.224SC*.SBendtrans-87.7-28.6170.3-166.527.1000112.2L23N16-L23 HydrophobicContact CB-CD1 4.35Å
17S86.1Confident93.4Very high43 Ų4341.2 Ų41.230%0.30122%0.222SC..  trans-154154.8168.272.20000111.4E15 S19 N20 K409E15-S17 WeakPolarHBondContact CG-O 3.25Å; S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 3.17Å; S17-N20 PolarHBondContact O-N 2.95Å; S17-N20 WeakPolarHBondContact OG-CB 3.47Å; S17-N20 PolarHBondContact OG-N 2.99Å; S17-N20 PolarHBondContact OG-ND2 2.83Å; S17-K409 PolarHBondContact O-NZ 3.41Å
18S81.9Confident93.5Very high37 Ų3738 Ų3826%0.25921%0.212SC..THydrogen-bonded Turntrans-60.5-39.1177.647.70000112.5N20 P347 K409S18-N20 VanDerWaalsContact C-N 3.35Å; S18-P347 WeakPolarHBondContact OG-CG 3.5Å; S18-K409 PolarHBondContact O-NZ 3.35Å
19S84.6Confident93.5Very high59 Ų5936.8 Ų36.841%0.41320%0.202SC..THydrogen-bonded Turntrans-876.7-178-510000114.9S17 N348 W408S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 3.17Å; S19-N348 PolarHBondContact OG-ND2 2.82Å; S19-N348 PolarHBondContact OG-OD1 2.76Å; S19-W408 WeakPolarHBondContact O-CH2 3.2Å
20N90.1Very high93.5Very high92 Ų9234.8 Ų34.849%0.49218%0.181SC..SBendtrans-113.9149.1167.9-76.7-34.5000110.8S17 S18 K409S17-N20 PolarHBondContact O-N 2.95Å; S17-N20 WeakPolarHBondContact OG-CB 3.47Å; S17-N20 PolarHBondContact OG-N 2.99Å; S17-N20 PolarHBondContact OG-ND2 2.83Å; S18-N20 VanDerWaalsContact C-N 3.35Å; N20-K409 WeakPolarHBondContact O-CE 3.46Å; N20-K409 PolarHBondContact O-NZ 2.97Å
21P92.8Very high93.3Very high7 Ų735.7 Ų35.75%0.04519%0.186CC..PPolyproline II helixtrans-59.9153165.7-30.142.2000112.4W408 K409P21-W408 WeakPolarHBondContact CB-O 3.35Å; P21-W408 HydrophobicContact CG-CD2 3.88Å; P21-W408 VanDerWaalsContact CG-CE2 3.47Å; P21-W408 HydrophobicContact CG-CE3 4.25Å; P21-W408 HydrophobicContact CG-CG 4.5Å; P21-W408 HydrophobicContact CG-CH2 3.96Å; P21-W408 HydrophobicContact CG-CZ2 3.54Å; P21-W408 HydrophobicContact CG-CZ3 4.28Å; P21-W408 WeakPolarHBondContact CG-O 3.48Å; P21-K409 CarbonylContact C-O 3.52Å; P21-K409 WeakPolarHBondContact CA-O 3.38Å; P21-K409 WeakPolarHBondContact CB-O 3.47Å
22Y95.4Very high93Very high33 Ų3340.4 Ų40.413%0.12921%0.207CC..PPolyproline II helixtrans-60.5144.6179.4-55.8-46.8000111.2F13 F14 E15 R47 R106 K409 K410F13-Y22 HydrophobicContact CB-CD2 3.86Å; F13-Y22 HydrophobicContact CB-CG 3.92Å; F13-Y22 HydrophobicContact CD1-CD2 4.13Å; F13-Y22 HydrophobicContact CD1-CG 4.44Å; F13-Y22 HydrophobicContact CG-CD2 4Å; F13-Y22 HydrophobicContact CG-CG 4.42Å; F14-Y22 CarbonylContact O-C 3.56Å; F14-Y22 WeakPolarHBondContact O-CA 3.11Å; E15-Y22 HydrophobicContact CB-CD1 3.86Å; E15-Y22 HydrophobicContact CB-CE1 3.9Å; E15-Y22 HydrophobicContact CG-CD1 4.33Å; E15-Y22 HydrophobicContact CG-CE1 4.16Å; E15-Y22 WeakPolarHBondContact OE1-CE1 3.46Å; Y22-R47 VanDerWaalsContact O-CZ 3.24Å; Y22-R47 PolarHBondContact O-NH1 2.95Å; Y22-R47 PolarHBondContact O-NH2 3.29Å; Y22-R106 HydrophobicContact CD1-CB 4.47Å; Y22-R106 HydrophobicContact CD1-CG 4.29Å; Y22-R106 HydrophobicContact CE1-CB 3.98Å; Y22-R106 HydrophobicContact CE1-CG 3.71Å; Y22-R106 HydrophobicContact CE2-CB 4.47Å; Y22-K409 HydrophobicContact CD2-CB 4.13Å; Y22-K409 WeakPolarHBondContact CD2-O 3.23Å; Y22-K409 HydrophobicContact CE2-CB 3.79Å; Y22-K409 PolarHBondContact N-O 2.95Å; Y22-K410 HydrophobicContact CD2-CG 4.33Å; Y22-K410 HydrophobicContact CE2-CG 4.45Å
23L95.9Very high92.6Very high43 Ų4342.3 Ų42.323%0.22522%0.219CC..EExtended strand (participates in β ladder)trans-85.1140.2169.1-55.2178000108.3F14 N16F14-L23 HydrophobicContact CB-CB 4.29Å; F14-L23 PolarHBondContact N-O 3.42Å; F14-L23 PolarHBondContact O-N 3.38Å; N16-L23 HydrophobicContact CB-CD1 4.35Å
24I97.1Very high92.3Very high1 Ų147.9 Ų47.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-91.2131174.3-64.577000107.5F13 F45 R47 L91 V111 F130F13-I24 HydrophobicContact CD1-CG1 4.32Å; F13-I24 HydrophobicContact CE1-CG1 4.24Å; I24-F45 HydrophobicContact CB-CB 4.09Å; I24-F45 HydrophobicContact CG2-CB 4.11Å; I24-F45 HydrophobicContact CG2-CD2 4.25Å; I24-F45 HydrophobicContact CG2-CG 4.28Å; I24-F45 WeakPolarHBondContact O-CB 3.48Å; I24-F45 PolarHBondContact O-N 3.32Å; I24-R47 VanDerWaalsContact CD1-NH2 3.34Å; I24-L91 HydrophobicContact CB-CD1 3.89Å; I24-L91 HydrophobicContact CD1-CD2 4.14Å; I24-L91 HydrophobicContact CG1-CD1 4Å; I24-L91 HydrophobicContact CG1-CD2 4.47Å; I24-L91 HydrophobicContact CG2-CD1 3.7Å; I24-V111 HydrophobicContact CG2-CG2 3.71Å; I24-F130 HydrophobicContact CD1-CE1 4.26Å; I24-F130 HydrophobicContact CD1-CZ 4.35Å; I24-F130 HydrophobicContact CG1-CE1 4.42Å; I24-F130 HydrophobicContact CG1-CE2 4.44Å; I24-F130 HydrophobicContact CG1-CZ 4.3Å
25R97.3Very high92Very high14 Ų1452.2 Ų52.25%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-140.9156.8179.5-49.9-72-165.61728.9110.3Y11 V12 F14 V42 V43 C44 E98Y11-R25 WeakPolarHBondContact CA-O 3.37Å; V12-R25 HydrophobicContact CG2-CB 4.48Å; V12-R25 PolarHBondContact N-O 2.87Å; V12-R25 PolarHBondContact O-N 3.25Å; F14-R25 HydrophobicContact CB-CG 4.23Å; F14-R25 HydrophobicContact CD2-CB 3.8Å; F14-R25 HydrophobicContact CD2-CG 3.53Å; F14-R25 HydrophobicContact CE2-CB 4.04Å; F14-R25 HydrophobicContact CE2-CG 4.11Å; F14-R25 HydrophobicContact CG-CG 4.04Å; R25-V42 HydrophobicContact CB-CB 3.88Å; R25-V42 HydrophobicContact CB-CG1 4.46Å; R25-V42 HydrophobicContact CB-CG2 3.87Å; R25-V42 HydrophobicContact CG-CB 4.45Å; R25-V42 HydrophobicContact CG-CG2 3.88Å; R25-V43 VanDerWaalsContact CA-O 3.25Å; R25-V43 WeakPolarHBondContact CA-O 3.33Å; R25-V43 WeakPolarHBondContact CB-O 3.39Å; R25-C44 PolarHBondContact NH1-SG 3.21Å; R25-E98 IonicContact CZ-OE1 3.08Å; R25-E98 VanDerWaalsContact CZ-OE1 3.23Å; R25-E98 IonicContact CZ-OE2 2.82Å; R25-E98 IonicContact NH1-OE1 2.81Å; R25-E98 PolarHBondContact NH1-OE1 3.38Å; R25-E98 IonicContact NH1-OE2 2.73Å; R25-E98 IonicContact NH2-OE1 2.74Å; R25-E98 PolarHBondContact NH2-OE1 3.41Å; R25-E98 IonicContact NH2-OE2 3.11Å; R25-E98 PolarHBondContact NH2-OE2 3.2Å
26R97.3Very high91.8Very high72 Ų7252.7 Ų52.727%0.27231%0.308SS..EExtended strand (participates in β ladder)trans-107.5135.3166-170.2175.170.3-167.15.2110D10 Y11 E28 V42 V43 F45D10-R26 WeakPolarHBondContact O-CA 3.49Å; Y11-R26 HydrophobicContact CD1-CB 3.72Å; Y11-R26 HydrophobicContact CD1-CG 3.95Å; Y11-R26 HydrophobicContact CE1-CB 3.75Å; Y11-R26 HydrophobicContact CE1-CG 3.82Å; Y11-R26 HydrophobicContact CG-CG 4.43Å; R26-E28 IonicContact CZ-OE1 2.71Å; R26-E28 IonicContact NE-OE1 2.75Å; R26-E28 PolarHBondContact NE-OE1 2.71Å; R26-E28 IonicContact NH2-OE1 3.99Å; R26-E28 PolarHBondContact NH2-OE1 3.04Å; R26-E28 IonicContact NH2-OE2 3.91Å; R26-E28 PolarHBondContact O-N 3.48Å; R26-V42 CarbonylContact O-C 3.56Å; R26-V42 WeakPolarHBondContact O-CA 3.48Å; R26-V42 VanDerWaalsContact O-CB 3.29Å; R26-V42 WeakPolarHBondContact O-CB 3.23Å; R26-V43 HydrophobicContact CB-CB 4.41Å; R26-V43 PolarHBondContact N-O 3.24Å; R26-V43 VanDerWaalsContact N-O 3.1Å; R26-V43 PolarHBondContact O-N 2.91Å; R26-F45 HydrophobicContact CB-CE2 4.15Å
27I97.1Very high92Very high0 Ų052.1 Ų52.10%031%0.305CS..EExtended strand (participates in β ladder)trans-77.8119177.2-55.5179.3000109.6V8 G9 D10 V12 L30 V42 I105V8-I27 HydrophobicContact CG2-CG2 4.31Å; G9-I27 PolarHBondContact N-O 3.32Å; D10-I27 HydrophobicContact CB-CD1 4.38Å; D10-I27 PolarHBondContact O-N 3.44Å; V12-I27 HydrophobicContact CG1-CD1 4.06Å; V12-I27 HydrophobicContact CG1-CG1 4.48Å; V12-I27 HydrophobicContact CG2-CD1 4.12Å; V12-I27 HydrophobicContact CG2-CG1 3.77Å; I27-L30 HydrophobicContact CG2-CD1 4.49Å; I27-L30 HydrophobicContact CG2-CD2 3.77Å; I27-L30 HydrophobicContact CG2-CG 3.84Å; I27-V42 HydrophobicContact CG1-CG1 4.47Å; I27-I105 HydrophobicContact CD1-CD1 3.9Å
28E95.9Very high92.4Very high54 Ų5451.4 Ų51.425%0.25230%0.299SS..EExtended strand (participates in β ladder)trans-101.5-35.5179.3-61.5-66.9153.900111.9V8 R26 K41 V43 Y97V8-E28 VanDerWaalsContact CG1-O 3.24Å; V8-E28 WeakPolarHBondContact CG1-O 3.35Å; R26-E28 IonicContact CZ-OE1 2.71Å; R26-E28 IonicContact NE-OE1 2.75Å; R26-E28 PolarHBondContact NE-OE1 2.71Å; R26-E28 IonicContact NH2-OE1 3.99Å; R26-E28 PolarHBondContact NH2-OE1 3.04Å; R26-E28 IonicContact NH2-OE2 3.91Å; R26-E28 PolarHBondContact O-N 3.48Å; E28-K41 PolarHBondContact N-O 3.45Å; E28-V43 HydrophobicContact CG-CB 4.1Å; E28-V43 HydrophobicContact CG-CG2 3.73Å; E28-V43 WeakPolarHBondContact OE1-CG2 3.41Å; E28-Y97 HydrophobicContact CB-CE1 4.28Å; E28-Y97 HydrophobicContact CG-CD1 4.16Å; E28-Y97 HydrophobicContact CG-CE1 3.81Å
29E94.9Very high93Very high41 Ų4153.2 Ų53.219%0.19230%0.304CS..EExtended strand (participates in β ladder)trans-152.2142.7-179.8-163.1176.8-145.200109N31 K41 K333E29-N31 PolarHBondContact OE2-ND2 3.49Å; E29-K41 HydrophobicContact CB-CB 3.91Å; E29-K41 HydrophobicContact CB-CD 4.04Å; E29-K41 PolarHBondContact N-O 2.99Å; E29-K41 PolarHBondContact O-N 2.7Å; E29-K41 VanDerWaalsContact OE2-CD 3.28Å; E29-K41 WeakPolarHBondContact OE2-CD 3.37Å; E29-K41 IonicContact OE2-NZ 2.71Å; E29-K333 IonicContact OE1-NZ 3.89Å; E29-K333 PolarHBondContact OE1-NZ 3.06Å
30L95.2Very high93.6Very high1 Ų150.4 Ų50.41%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-113.1120.6168.8-62.7165.9000107.8V8 I27 V38 E39 A40 L334 V337V8-L30 HydrophobicContact CG2-CD1 4.3Å; V8-L30 HydrophobicContact CG2-CG 4.18Å; I27-L30 HydrophobicContact CG2-CD1 4.49Å; I27-L30 HydrophobicContact CG2-CD2 3.77Å; I27-L30 HydrophobicContact CG2-CG 3.84Å; L30-V38 HydrophobicContact CB-CG1 4.25Å; L30-V38 HydrophobicContact CD2-CG1 4.31Å; L30-E39 WeakPolarHBondContact CA-O 3.35Å; L30-A40 HydrophobicContact CD2-CB 3.75Å; L30-L334 HydrophobicContact CB-CB 3.72Å; L30-L334 WeakPolarHBondContact CB-O 3.36Å; L30-L334 WeakPolarHBondContact O-CB 3.45Å; L30-V337 HydrophobicContact CD1-CB 4.11Å; L30-V337 HydrophobicContact CD1-CG1 3.83Å; L30-V337 HydrophobicContact CD2-CG1 3.95Å
31N92.9Very high93.9Very high52 Ų5249.9 Ų49.928%0.27828%0.278SS..EExtended strand (participates in β ladder)trans-114.6126.9-174.9-71.3-48.5000109.2E29 V38 E39E29-N31 PolarHBondContact OE2-ND2 3.49Å; N31-V38 WeakPolarHBondContact O-CA 3.25Å; N31-E39 PolarHBondContact N-O 2.93Å; N31-E39 PolarHBondContact O-N 3.44Å
32K91.5Very high94.1Very high145 Ų14549.6 Ų49.663%0.6328%0.275SS*.EExtended strand (participates in β ladder)trans-91.4124.6175.2-164.6179.8175.9-176.20109.1N37 L334K32-N37 CarbonylContact C-O 3.57Å; K32-N37 WeakPolarHBondContact CA-O 3.27Å; K32-L334 HydrophobicContact CB-CD1 3.86Å; K32-L334 HydrophobicContact CG-CD1 4.47Å
33T88.9Confident94.1Very high40 Ų4048.2 Ų48.225%0.24527%0.271CS..  trans-73.7160.117468.10000110.5S35 G36 N37T33-S35 PolarHBondContact O-N 2.85Å; T33-S35 PolarHBondContact OG1-N 3.33Å; T33-S35 PolarHBondContact OG1-OG 3.23Å; T33-G36 PolarHBondContact O-N 3.5Å; T33-G36 PolarHBondContact OG1-N 3.32Å; T33-N37 HydrophobicContact CG2-CB 4.44Å; T33-N37 PolarHBondContact N-O 2.91Å; T33-N37 PolarHBondContact OG1-N 2.92Å; T33-N37 PolarHBondContact OG1-O 3.45Å
34A88.6Confident94.1Very high120 Ų12046.2 Ų46.299%0.99226%0.26SS*.THydrogen-bonded Turntrans-57.9-29.517200000112.6G36A34-G36 PolarHBondContact O-N 3.07Å
35S89.3Confident94.1Very high93 Ų9346.5 Ų46.565%0.6526%0.261SS*.THydrogen-bonded Turntrans-75.84.8172.450.10000114.8T33 N37T33-S35 PolarHBondContact O-N 2.85Å; T33-S35 PolarHBondContact OG1-N 3.33Å; T33-S35 PolarHBondContact OG1-OG 3.23Å; S35-N37 VanDerWaalsContact C-N 3.29Å; S35-N37 PolarHBondContact O-N 3.3Å
36G87.2Confident94Very high38 Ų3847.8 Ų47.839%0.39227%0.266SS..SBendtrans83.8-9174.900000115.9T33 A34T33-G36 PolarHBondContact O-N 3.5Å; T33-G36 PolarHBondContact OG1-N 3.32Å; A34-G36 PolarHBondContact O-N 3.07Å
37N91.4Very high93.9Very high109 Ų10945 Ų4558%0.58326%0.256SS*.  trans-66.7157.1174.7-65.9-48.5000111K32 T33 S35K32-N37 CarbonylContact C-O 3.57Å; K32-N37 WeakPolarHBondContact CA-O 3.27Å; T33-N37 HydrophobicContact CG2-CB 4.44Å; T33-N37 PolarHBondContact N-O 2.91Å; T33-N37 PolarHBondContact OG1-N 2.92Å; T33-N37 PolarHBondContact OG1-O 3.45Å; S35-N37 VanDerWaalsContact C-N 3.29Å; S35-N37 PolarHBondContact O-N 3.3Å
38V94.7Very high93.6Very high29 Ų2946.4 Ų46.418%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-114.5122.6174.2-175.80000109.7L30 N31 A102 L334 V337L30-V38 HydrophobicContact CB-CG1 4.25Å; L30-V38 HydrophobicContact CD2-CG1 4.31Å; N31-V38 WeakPolarHBondContact O-CA 3.25Å; V38-A102 HydrophobicContact CB-CB 4.21Å; V38-A102 HydrophobicContact CG1-CB 4.09Å; V38-A102 VanDerWaalsContact O-CB 3.3Å; V38-A102 WeakPolarHBondContact O-CB 3.49Å; V38-A102 PolarHBondContact O-N 3.05Å; V38-L334 HydrophobicContact CB-CD1 4.42Å; V38-L334 HydrophobicContact CG1-CD1 3.85Å; V38-L334 HydrophobicContact CG2-CD1 3.67Å; V38-V337 HydrophobicContact CB-CG2 4.18Å; V38-V337 HydrophobicContact CG1-CB 4.37Å; V38-V337 HydrophobicContact CG1-CG2 4.08Å; V38-V337 HydrophobicContact CG2-CG2 4.12Å
39E95.1Very high93.3Very high75 Ų7549.5 Ų49.535%0.3527%0.27SS..EExtended strand (participates in β ladder)trans-98146.5165.5-68.2-171.6-163.300110.1L30 N31 S99 L100L30-E39 WeakPolarHBondContact CA-O 3.35Å; N31-E39 PolarHBondContact N-O 2.93Å; N31-E39 PolarHBondContact O-N 3.44Å; E39-S99 WeakPolarHBondContact OE2-CB 3.35Å; E39-S99 PolarHBondContact OE2-OG 3.11Å; E39-L100 WeakPolarHBondContact CA-O 3.28Å
40A96.2Very high93.1Very high0 Ų050.3 Ų50.30%028%0.276CS..EExtended strand (participates in β ladder)trans-107.9121.417000000108.6F14 L30 V42 L100F14-A40 HydrophobicContact CZ-CB 4.09Å; L30-A40 HydrophobicContact CD2-CB 3.75Å; A40-V42 HydrophobicContact CB-CG1 3.75Å; A40-L100 PolarHBondContact N-O 3.49Å; A40-L100 PolarHBondContact O-N 3.09Å
41K96.6Very high93Very high81 Ų8150.9 Ų50.935%0.35228%0.279SS..EExtended strand (participates in β ladder)trans-82.5123.5164.7-173.7-173.4-178.1-177.70107.3E28 E29 Y97 E98E28-K41 PolarHBondContact N-O 3.45Å; E29-K41 HydrophobicContact CB-CB 3.91Å; E29-K41 HydrophobicContact CB-CD 4.04Å; E29-K41 PolarHBondContact N-O 2.99Å; E29-K41 PolarHBondContact O-N 2.7Å; E29-K41 VanDerWaalsContact OE2-CD 3.28Å; E29-K41 WeakPolarHBondContact OE2-CD 3.37Å; E29-K41 IonicContact OE2-NZ 2.71Å; K41-Y97 HydrophobicContact CG-CD1 4.34Å; K41-E98 CarbonylContact C-O 3.58Å; K41-E98 WeakPolarHBondContact CA-O 3.46Å
42V97Very high93Very high0 Ų050.7 Ų50.70%028%0.282CS..EExtended strand (participates in β ladder)trans-135.6142.6-167.2-560000113.2F14 R25 R26 I27 A40 Y97 E98F14-V42 HydrophobicContact CE2-CG1 3.84Å; F14-V42 HydrophobicContact CZ-CG1 3.85Å; R25-V42 HydrophobicContact CB-CB 3.88Å; R25-V42 HydrophobicContact CB-CG1 4.46Å; R25-V42 HydrophobicContact CB-CG2 3.87Å; R25-V42 HydrophobicContact CG-CB 4.45Å; R25-V42 HydrophobicContact CG-CG2 3.88Å; R26-V42 CarbonylContact O-C 3.56Å; R26-V42 WeakPolarHBondContact O-CA 3.48Å; R26-V42 VanDerWaalsContact O-CB 3.29Å; R26-V42 WeakPolarHBondContact O-CB 3.23Å; I27-V42 HydrophobicContact CG1-CG1 4.47Å; A40-V42 HydrophobicContact CB-CG1 3.75Å; V42-Y97 VanDerWaalsContact O-CA 3.32Å; V42-Y97 WeakPolarHBondContact O-CA 3.32Å; V42-E98 HydrophobicContact CG2-CB 4.45Å; V42-E98 PolarHBondContact N-O 3.24Å; V42-E98 PolarHBondContact O-N 3.4Å
43V96.8Very high92.9Very high5 Ų550.1 Ų50.13%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-80.4142.2170.1148.90000110.3R25 R26 E28 F45 L93 Y97R25-V43 VanDerWaalsContact CA-O 3.25Å; R25-V43 WeakPolarHBondContact CA-O 3.33Å; R25-V43 WeakPolarHBondContact CB-O 3.39Å; R26-V43 HydrophobicContact CB-CB 4.41Å; R26-V43 PolarHBondContact N-O 3.24Å; R26-V43 VanDerWaalsContact N-O 3.1Å; R26-V43 PolarHBondContact O-N 2.91Å; E28-V43 HydrophobicContact CG-CB 4.1Å; E28-V43 HydrophobicContact CG-CG2 3.73Å; E28-V43 WeakPolarHBondContact OE1-CG2 3.41Å; V43-F45 HydrophobicContact CG1-CE2 3.99Å; V43-L93 HydrophobicContact CG1-CD1 3.63Å; V43-Y97 HydrophobicContact CG2-CD1 3.95Å; V43-Y97 HydrophobicContact CG2-CE1 3.66Å; V43-Y97 HydrophobicContact CG2-CE2 4.44Å; V43-Y97 HydrophobicContact CG2-CG 4.47Å
44C95.9Very high93.1Very high0 Ų051.9 Ų51.90%030%0.295CS..EExtended strand (participates in β ladder)trans-95.6130.5-168.6-54.80000112.8R25 Y46 S94 Q96R25-C44 PolarHBondContact NH1-SG 3.21Å; C44-Y46 HydrophobicContact CB-CD2 4.47Å; C44-Y46 HydrophobicContact CB-CE2 3.76Å; C44-S94 WeakPolarHBondContact O-CB 3.48Å; C44-S94 PolarHBondContact O-N 2.78Å; C44-Q96 PolarHBondContact N-O 3.29Å; C44-Q96 PolarHBondContact SG-O 3.15Å
45F96.3Very high93.2Very high8 Ų846.8 Ų46.84%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-114.2132.4166.6-69.3-95.4000110.8Y11 I24 R26 V43 L91 F92 L93 V111 Y132Y11-F45 HydrophobicContact CD1-CE2 4.02Å; Y11-F45 HydrophobicContact CD1-CZ 4.33Å; Y11-F45 AromaticContact CE1-CE2 3.8Å; Y11-F45 HydrophobicContact CE1-CE2 3.8Å; Y11-F45 AromaticContact CE1-CZ 3.73Å; Y11-F45 HydrophobicContact CE1-CZ 3.73Å; I24-F45 HydrophobicContact CB-CB 4.09Å; I24-F45 HydrophobicContact CG2-CB 4.11Å; I24-F45 HydrophobicContact CG2-CD2 4.25Å; I24-F45 HydrophobicContact CG2-CG 4.28Å; I24-F45 WeakPolarHBondContact O-CB 3.48Å; I24-F45 PolarHBondContact O-N 3.32Å; R26-F45 HydrophobicContact CB-CE2 4.15Å; V43-F45 HydrophobicContact CG1-CE2 3.99Å; F45-L91 HydrophobicContact CB-CB 4.28Å; F45-L91 HydrophobicContact CB-CD1 4.04Å; F45-L91 HydrophobicContact CD1-CB 4.05Å; F45-L91 HydrophobicContact CD1-CD1 4.25Å; F45-L91 HydrophobicContact CG-CD1 4.32Å; F45-F92 WeakPolarHBondContact CA-O 3.41Å; F45-L93 HydrophobicContact CD1-CB 4.35Å; F45-L93 HydrophobicContact CE1-CB 3.89Å; F45-L93 HydrophobicContact CE1-CD1 3.81Å; F45-L93 HydrophobicContact CE1-CG 4.42Å; F45-L93 HydrophobicContact CE2-CD1 4.23Å; F45-L93 HydrophobicContact CZ-CD1 3.63Å; F45-V111 HydrophobicContact CD1-CG1 4.23Å; F45-V111 HydrophobicContact CE1-CG1 3.86Å; F45-V111 HydrophobicContact CZ-CG1 4.31Å; F45-Y132 AromaticContact CE1-CD1 3.99Å; F45-Y132 HydrophobicContact CE1-CD1 3.99Å; F45-Y132 HydrophobicContact CE1-CE1 4.43Å; F45-Y132 HydrophobicContact CE1-CG 4.36Å
46Y95.4Very high93.4Very high40 Ų4043.8 Ų43.816%0.15723%0.228CC..EExtended strand (participates in β ladder)trans-106.2143.4-179.4-68.7-103.8000109.9C44 D50 L91 F92 Y136C44-Y46 HydrophobicContact CB-CD2 4.47Å; C44-Y46 HydrophobicContact CB-CE2 3.76Å; Y46-D50 HydrophobicContact CD1-CB 3.99Å; Y46-L91 CarbonylContact O-C 3.59Å; Y46-L91 WeakPolarHBondContact O-CA 3.2Å; Y46-F92 PolarHBondContact N-O 2.85Å; Y46-F92 PolarHBondContact O-N 2.96Å; Y46-Y136 HydrophobicContact CD1-CD1 4.19Å; Y46-Y136 AromaticContact CD1-CE1 3.91Å; Y46-Y136 HydrophobicContact CD1-CE1 3.91Å; Y46-Y136 AromaticContact CD2-CD1 3.79Å; Y46-Y136 HydrophobicContact CD2-CD1 3.79Å; Y46-Y136 HydrophobicContact CD2-CE1 4.27Å; Y46-Y136 HydrophobicContact CE1-CE1 4.08Å; Y46-Y136 HydrophobicContact CE2-CD1 4.17Å; Y46-Y136 HydrophobicContact CE2-CE1 4.43Å; Y46-Y136 AromaticContact CG-CD1 3.82Å; Y46-Y136 HydrophobicContact CG-CD1 3.82Å; Y46-Y136 HydrophobicContact CG-CE1 4.04Å
47R94.5Very high93.6Very high13 Ų1347.5 Ų47.55%0.04924%0.235CC..  trans-87.3165.7167.1-61.4-177.2177.585.4-5.3110.6Y22 I24 R49 D50 L91 K410 Y411Y22-R47 VanDerWaalsContact O-CZ 3.24Å; Y22-R47 PolarHBondContact O-NH1 2.95Å; Y22-R47 PolarHBondContact O-NH2 3.29Å; I24-R47 VanDerWaalsContact CD1-NH2 3.34Å; R47-R49 VanDerWaalsContact C-N 3.26Å; R47-R49 HydrophobicContact CB-CG 4.42Å; R47-R49 PolarHBondContact O-N 2.94Å; R47-R49 VanDerWaalsContact O-N 3.15Å; R47-D50 VanDerWaalsContact CB-OD2 3.3Å; R47-D50 WeakPolarHBondContact CB-OD2 3.47Å; R47-D50 PolarHBondContact N-OD2 3.16Å; R47-D50 WeakPolarHBondContact O-CA 3.45Å; R47-D50 WeakPolarHBondContact O-CB 3.23Å; R47-D50 PolarHBondContact O-N 3.45Å; R47-L91 HydrophobicContact CG-CD2 3.84Å; R47-K410 PolarHBondContact NH2-O 3.38Å; R47-Y411 WeakPolarHBondContact CD-O 3.42Å; R47-Y411 PolarHBondContact NE-O 3.46Å
48R92.3Very high93.4Very high31 Ų3146.2 Ų46.212%0.11723%0.227CC..G310 helixtrans-44.1-45.5171.7-74-179.9163.7-110.4-5.2114.4D50 I51 I56 D60 E90 F92R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.11Å; R48-I51 WeakPolarHBondContact O-CG1 3.45Å; R48-I51 PolarHBondContact O-N 3.17Å; R48-I56 HydrophobicContact CB-CD1 4.47Å; R48-I56 VanDerWaalsContact NH1-CG2 3.35Å; R48-I56 WeakPolarHBondContact O-CD1 3.48Å; R48-D60 IonicContact CZ-OD1 3.38Å; R48-D60 VanDerWaalsContact NH1-CG 3.25Å; R48-D60 IonicContact NH1-OD1 2.85Å; R48-D60 PolarHBondContact NH1-OD1 3.24Å; R48-D60 IonicContact NH1-OD2 2.67Å; R48-D60 PolarHBondContact NH1-OD2 3.14Å; R48-D60 VanDerWaalsContact NH1-OD2 3.07Å; R48-D60 IonicContact NH2-OD1 3.39Å; R48-D60 PolarHBondContact NH2-OD1 2.9Å; R48-E90 IonicContact CZ-OE2 3.17Å; R48-E90 IonicContact NE-OE1 2.58Å; R48-E90 IonicContact NE-OE2 2.68Å; R48-E90 PolarHBondContact NE-OE2 3.22Å; R48-E90 IonicContact NH2-OE1 2.72Å; R48-E90 IonicContact NH2-OE2 3.07Å; R48-E90 PolarHBondContact NH2-OE2 3.19Å; R48-F92 HydrophobicContact CB-CE2 4.47Å; R48-F92 HydrophobicContact CG-CE2 3.82Å; R48-F92 HydrophobicContact CG-CZ 4.19Å
49R89.4Confident93.1Very high118 Ų11844.9 Ų44.945%0.44522%0.219SC..G310 helixtrans-70.2-18.2179.780.1-167.7-175.6-179.65114.4R47 I51 G412R47-R49 VanDerWaalsContact C-N 3.26Å; R47-R49 HydrophobicContact CB-CG 4.42Å; R47-R49 PolarHBondContact O-N 2.94Å; R47-R49 VanDerWaalsContact O-N 3.15Å; R49-I51 VanDerWaalsContact C-N 3.33Å; R49-G412 PolarHBondContact NH1-O 3.44Å
50D90.6Very high92.9Very high58 Ų5843.7 Ų43.731%0.3122%0.215SC..G310 helixtrans-90.9-4-176.2-46.3-37.8000110.7Y46 R47 R48Y46-D50 HydrophobicContact CD1-CB 3.99Å; R47-D50 VanDerWaalsContact CB-OD2 3.3Å; R47-D50 WeakPolarHBondContact CB-OD2 3.47Å; R47-D50 PolarHBondContact N-OD2 3.16Å; R47-D50 WeakPolarHBondContact O-CA 3.45Å; R47-D50 WeakPolarHBondContact O-CB 3.23Å; R47-D50 PolarHBondContact O-N 3.45Å; R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.11Å
51I91.9Very high92.4Very high13 Ų1349 Ų497%0.06724%0.238CC..SBendtrans-115.9165.3172.965.6168.2000111.1R48 R49 L55 I56 F92 Y136 L143R48-I51 WeakPolarHBondContact O-CG1 3.45Å; R48-I51 PolarHBondContact O-N 3.17Å; R49-I51 VanDerWaalsContact C-N 3.33Å; I51-L55 HydrophobicContact CD1-CB 4.05Å; I51-I56 HydrophobicContact CD1-CG1 4.24Å; I51-I56 HydrophobicContact CG1-CG1 4Å; I51-F92 HydrophobicContact CD1-CD1 4.42Å; I51-F92 HydrophobicContact CD1-CD2 3.79Å; I51-F92 HydrophobicContact CD1-CE1 4.22Å; I51-F92 HydrophobicContact CD1-CE2 3.57Å; I51-F92 HydrophobicContact CD1-CG 4.24Å; I51-F92 HydrophobicContact CD1-CZ 3.81Å; I51-F92 HydrophobicContact CG1-CD2 4.47Å; I51-F92 HydrophobicContact CG1-CE2 4.35Å; I51-Y136 HydrophobicContact CB-CE2 4.39Å; I51-Y136 HydrophobicContact CG2-CD1 3.75Å; I51-Y136 HydrophobicContact CG2-CD2 4.03Å; I51-Y136 HydrophobicContact CG2-CE1 3.58Å; I51-Y136 HydrophobicContact CG2-CE2 3.89Å; I51-Y136 HydrophobicContact CG2-CG 3.97Å; I51-L143 HydrophobicContact CD1-CD1 4.39Å
52S92.4Very high91.8Very high49 Ų4947.1 Ų47.134%0.34323%0.231SC..  trans-77.5145.6-177.1500000113.3S54 L55 I56S52-S54 PolarHBondContact O-N 3.18Å; S52-L55 WeakPolarHBondContact O-CA 3.49Å; S52-L55 WeakPolarHBondContact O-CB 3.37Å; S52-L55 PolarHBondContact O-N 2.98Å; S52-I56 PolarHBondContact O-N 3.18Å
53H91.4Very high91.1Very high132 Ų13248.8 Ų48.861%0.61125%0.245SC*.Hα-helixtrans-49-37.9-177.8-169.4-81.2000114.9L55 I56 Q57H53-L55 VanDerWaalsContact C-N 3.26Å; H53-L55 PolarHBondContact O-N 3.34Å; H53-I56 WeakPolarHBondContact O-CB 3.42Å; H53-I56 PolarHBondContact O-N 3.09Å; H53-I56 VanDerWaalsContact O-N 3.15Å; H53-Q57 VanDerWaalsContact CE1-CD 3.49Å; H53-Q57 PolarHBondContact ND1-OE1 3.35Å; H53-Q57 VanDerWaalsContact ND1-OE1 3.17Å; H53-Q57 WeakPolarHBondContact O-CG 3.33Å; H53-Q57 PolarHBondContact O-N 2.91Å
54S91.9Very high90.4Very high77 Ų7754.5 Ų54.554%0.53827%0.269SS..Hα-helixtrans-61.7-30175.551.60000114S52 L58S52-S54 PolarHBondContact O-N 3.18Å; S54-L58 PolarHBondContact O-N 3.1Å
55L91.8Very high89.6Confident13 Ų1358.3 Ų58.37%0.06829%0.287CS..Hα-helixtrans-82.9-32.3174.5-61.6176.9000111.2I51 S52 H53 Q57 L58 A59 Y136 K141 L143I51-L55 HydrophobicContact CD1-CB 4.05Å; S52-L55 WeakPolarHBondContact O-CA 3.49Å; S52-L55 WeakPolarHBondContact O-CB 3.37Å; S52-L55 PolarHBondContact O-N 2.98Å; H53-L55 VanDerWaalsContact C-N 3.26Å; H53-L55 PolarHBondContact O-N 3.34Å; L55-Q57 VanDerWaalsContact C-N 3.31Å; L55-Q57 PolarHBondContact O-N 3.41Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-A59 PolarHBondContact O-N 3.26Å; L55-Y136 HydrophobicContact CD1-CD2 4.11Å; L55-Y136 HydrophobicContact CD1-CE2 3.61Å; L55-K141 HydrophobicContact CD1-CB 4.5Å; L55-L143 HydrophobicContact CB-CD1 3.82Å; L55-L143 HydrophobicContact CB-CG 4.14Å; L55-L143 HydrophobicContact CD2-CG 4.27Å; L55-L143 WeakPolarHBondContact O-CD1 3.28Å
56I92.1Very high88.4Confident30 Ų3059.5 Ų59.515%0.15429%0.293CS..Hα-helixtrans-60.5-44.5170.9-50.2176.8000109.6R48 I51 S52 H53 L58 A59 D60R48-I56 HydrophobicContact CB-CD1 4.47Å; R48-I56 VanDerWaalsContact NH1-CG2 3.35Å; R48-I56 WeakPolarHBondContact O-CD1 3.48Å; I51-I56 HydrophobicContact CD1-CG1 4.24Å; I51-I56 HydrophobicContact CG1-CG1 4Å; S52-I56 PolarHBondContact O-N 3.18Å; H53-I56 WeakPolarHBondContact O-CB 3.42Å; H53-I56 PolarHBondContact O-N 3.09Å; H53-I56 VanDerWaalsContact O-N 3.15Å; I56-L58 VanDerWaalsContact C-N 3.3Å; I56-L58 PolarHBondContact O-N 3.15Å; I56-A59 PolarHBondContact O-N 3.25Å; I56-D60 WeakPolarHBondContact O-CB 3.37Å; I56-D60 PolarHBondContact O-N 2.86Å
57Q91.1Very high87.3Confident116 Ų11663.5 Ų63.554%0.54231%0.314SS..Hα-helixtrans-62.4-33.7175-70.4173.3-62.400113.2H53 L55 K61H53-Q57 VanDerWaalsContact CE1-CD 3.49Å; H53-Q57 PolarHBondContact ND1-OE1 3.35Å; H53-Q57 VanDerWaalsContact ND1-OE1 3.17Å; H53-Q57 WeakPolarHBondContact O-CG 3.33Å; H53-Q57 PolarHBondContact O-N 2.91Å; L55-Q57 VanDerWaalsContact C-N 3.31Å; L55-Q57 PolarHBondContact O-N 3.41Å; Q57-K61 PolarHBondContact O-N 3.28Å
58L88.3Confident86.2Confident82 Ų8269.2 Ų69.243%0.42934%0.341SS..Hα-helixtrans-72.5-40.5175-17860.6000111.9S54 L55 I56 K61 H62 L143S54-L58 PolarHBondContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 3.44Å; I56-L58 VanDerWaalsContact C-N 3.3Å; I56-L58 PolarHBondContact O-N 3.15Å; L58-K61 PolarHBondContact O-N 2.89Å; L58-H62 PolarHBondContact O-N 2.97Å; L58-L143 HydrophobicContact CD2-CB 4.39Å
59A88.8Confident84.9Confident1 Ų175.2 Ų75.21%0.00837%0.37CS..Hα-helixtrans-62.3-43.3172.100000111.7L55 I56 K61 H62 A63 F92 L134 L143L55-A59 PolarHBondContact O-N 3.26Å; I56-A59 PolarHBondContact O-N 3.25Å; A59-K61 VanDerWaalsContact C-N 3.3Å; A59-K61 PolarHBondContact O-N 3.48Å; A59-H62 PolarHBondContact O-N 2.66Å; A59-A63 WeakPolarHBondContact O-CB 3.28Å; A59-A63 PolarHBondContact O-N 2.86Å; A59-F92 HydrophobicContact CB-CE1 3.88Å; A59-F92 HydrophobicContact CB-CZ 3.98Å; A59-L134 HydrophobicContact CB-CD1 3.87Å; A59-L143 HydrophobicContact CB-CD1 3.99Å
60D89.6Confident83.6Confident50 Ų5072.6 Ų72.627%0.26736%0.362SS..Hα-helixtrans-65.6-30.1175.8-74.2-35000112.8R48 I56 K64R48-D60 IonicContact CZ-OD1 3.38Å; R48-D60 VanDerWaalsContact NH1-CG 3.25Å; R48-D60 IonicContact NH1-OD1 2.85Å; R48-D60 PolarHBondContact NH1-OD1 3.24Å; R48-D60 IonicContact NH1-OD2 2.67Å; R48-D60 PolarHBondContact NH1-OD2 3.14Å; R48-D60 VanDerWaalsContact NH1-OD2 3.07Å; R48-D60 IonicContact NH2-OD1 3.39Å; R48-D60 PolarHBondContact NH2-OD1 2.9Å; I56-D60 WeakPolarHBondContact O-CB 3.37Å; I56-D60 PolarHBondContact O-N 2.86Å; D60-K64 WeakPolarHBondContact O-CG 3.49Å; D60-K64 PolarHBondContact O-N 2.94Å
61K87.2Confident81.7Confident111 Ų11178.1 Ų78.148%0.48339%0.386SS..Hα-helixtrans-70.3-50.9171.3-174.7179.5170.7-78.50111.4Q57 L58 A59 A63 K64 E65Q57-K61 PolarHBondContact O-N 3.28Å; L58-K61 PolarHBondContact O-N 2.89Å; A59-K61 VanDerWaalsContact C-N 3.3Å; A59-K61 PolarHBondContact O-N 3.48Å; K61-A63 PolarHBondContact O-N 3.5Å; K61-K64 WeakPolarHBondContact O-CB 3.33Å; K61-K64 PolarHBondContact O-N 2.87Å; K61-K64 VanDerWaalsContact O-N 3.08Å; K61-E65 IonicContact NZ-OE1 3.7Å; K61-E65 PolarHBondContact NZ-OE1 3.46Å; K61-E65 IonicContact NZ-OE2 2.8Å; K61-E65 PolarHBondContact NZ-OE2 2.75Å; K61-E65 WeakPolarHBondContact O-CG 3.44Å; K61-E65 PolarHBondContact O-N 2.93Å
62H83.8Confident79.5Confident43 Ų4383.3 Ų83.320%0.19941%0.414CS..Hα-helixtrans-63-30.1178.6-179.4-73.9000112.8L58 A59 L66L58-H62 PolarHBondContact O-N 2.97Å; A59-H62 PolarHBondContact O-N 2.66Å; H62-L66 VanDerWaalsContact CE1-CD1 3.48Å; H62-L66 WeakPolarHBondContact CE1-CD1 3.24Å; H62-L66 WeakPolarHBondContact O-CG 3.4Å; H62-L66 PolarHBondContact O-N 2.54Å; H62-L66 VanDerWaalsContact O-N 3.15Å
63A82.4Confident77.4Confident35 Ų3587.6 Ų87.629%0.28944%0.44SS..Hα-helixtrans-64.6-43.4172.400000111.7A59 K61 L66 E67A59-A63 WeakPolarHBondContact O-CB 3.28Å; A59-A63 PolarHBondContact O-N 2.86Å; K61-A63 PolarHBondContact O-N 3.5Å; A63-L66 PolarHBondContact O-N 2.98Å; A63-E67 WeakPolarHBondContact O-CG 3.32Å; A63-E67 PolarHBondContact O-N 2.97Å; A63-E67 VanDerWaalsContact O-N 3.08Å
64K81.5Confident75.5Confident125 Ų12587 Ų8754%0.54345%0.446SS..Hα-helixtrans-65.4-43.3174.8-72.5-178.4169.8-156.90112.8D60 K61 L66 E67 E68D60-K64 WeakPolarHBondContact O-CG 3.49Å; D60-K64 PolarHBondContact O-N 2.94Å; K61-K64 WeakPolarHBondContact O-CB 3.33Å; K61-K64 PolarHBondContact O-N 2.87Å; K61-K64 VanDerWaalsContact O-N 3.08Å; K64-L66 PolarHBondContact O-N 3.02Å; K64-E67 CarbonylContact O-C 3.46Å; K64-E67 WeakPolarHBondContact O-CA 3.38Å; K64-E67 WeakPolarHBondContact O-CB 3.35Å; K64-E67 PolarHBondContact O-N 2.88Å; K64-E68 WeakPolarHBondContact O-CB 3.34Å; K64-E68 WeakPolarHBondContact O-CG 3.46Å; K64-E68 PolarHBondContact O-N 3.47Å
65E78.3Confident73.9Confident80 Ų8090.1 Ų90.137%0.37445%0.452SS..Hα-helixtrans-58.4-38.1177.2-68.1173.3127.600110.8K61 E69K61-E65 IonicContact NZ-OE1 3.7Å; K61-E65 PolarHBondContact NZ-OE1 3.46Å; K61-E65 IonicContact NZ-OE2 2.8Å; K61-E65 PolarHBondContact NZ-OE2 2.75Å; K61-E65 WeakPolarHBondContact O-CG 3.44Å; K61-E65 PolarHBondContact O-N 2.93Å; E65-E69 WeakPolarHBondContact O-CB 3.3Å; E65-E69 WeakPolarHBondContact O-CG 3.45Å; E65-E69 PolarHBondContact O-N 3.42Å
66L72.6Confident72.3Confident32 Ų3294.9 Ų94.917%0.16848%0.482CS..Hα-helixtrans-76-13.7172.2-74179.7000115.7H62 A63 K64 K70H62-L66 VanDerWaalsContact CE1-CD1 3.48Å; H62-L66 WeakPolarHBondContact CE1-CD1 3.24Å; H62-L66 WeakPolarHBondContact O-CG 3.4Å; H62-L66 PolarHBondContact O-N 2.54Å; H62-L66 VanDerWaalsContact O-N 3.15Å; A63-L66 PolarHBondContact O-N 2.98Å; K64-L66 PolarHBondContact O-N 3.02Å; L66-K70 WeakPolarHBondContact O-CD 3.36Å; L66-K70 VanDerWaalsContact O-CG 3.23Å; L66-K70 WeakPolarHBondContact O-CG 3.36Å
67E71.9Confident71.4Confident124 Ų124102.1 Ų102.158%0.57952%0.515SS*.Hα-helixtrans-86.5-42.7171.2-74.4171.6169.600109.5A63 K64 K70A63-E67 WeakPolarHBondContact O-CG 3.32Å; A63-E67 PolarHBondContact O-N 2.97Å; A63-E67 VanDerWaalsContact O-N 3.08Å; K64-E67 CarbonylContact O-C 3.46Å; K64-E67 WeakPolarHBondContact O-CA 3.38Å; K64-E67 WeakPolarHBondContact O-CB 3.35Å; K64-E67 PolarHBondContact O-N 2.88Å; E67-K70 PolarHBondContact O-N 3.1Å; E67-K70 VanDerWaalsContact O-N 3.14Å
68E71.8Confident70.9Confident133 Ų13398.5 Ų98.562%0.62150%0.5SS*.Hα-helixtrans-63.3-40.8176-69.5166.1-156.300112.1K64 K70K64-E68 WeakPolarHBondContact O-CB 3.34Å; K64-E68 WeakPolarHBondContact O-CG 3.46Å; K64-E68 PolarHBondContact O-N 3.47Å; E68-K70 PolarHBondContact O-N 3.04Å
69E64.7Low70.8Confident157 Ų15798.3 Ų98.373%0.73450%0.502SS*.THydrogen-bonded Turntrans-65.3-16.2173.8-78.7-175.2154.700114.3E65E65-E69 WeakPolarHBondContact O-CB 3.3Å; E65-E69 WeakPolarHBondContact O-CG 3.45Å; E65-E69 PolarHBondContact O-N 3.42Å
70K62.5Low70.6Confident64 Ų64104.1 Ų104.128%0.27853%0.533SS..THydrogen-bonded Turntrans-97.8-6.8-169.9-83.6-171.8-174-157.80115.5L66 E67 E68 N72 E116L66-K70 WeakPolarHBondContact O-CD 3.36Å; L66-K70 VanDerWaalsContact O-CG 3.23Å; L66-K70 WeakPolarHBondContact O-CG 3.36Å; E67-K70 PolarHBondContact O-N 3.1Å; E67-K70 VanDerWaalsContact O-N 3.14Å; E68-K70 PolarHBondContact O-N 3.04Å; K70-N72 PolarHBondContact O-N 2.98Å; K70-N72 PolarHBondContact O-ND2 2.83Å; K70-E116 WeakPolarHBondContact CE-O 3.44Å; K70-E116 PolarHBondContact NZ-O 3.49Å
71E49.3Very low70.4Confident173 Ų173107.1 Ų107.181%0.80854%0.543SS*.  trans-53.290.9-166-72.6-157.3141.900114.9
72N46.4Very low70.4Confident123 Ų123104.6 Ų104.666%0.65853%0.533SS*.  trans-105.1131.7151.7-74.9-101.5000106.1K70 T74K70-N72 PolarHBondContact O-N 2.98Å; K70-N72 PolarHBondContact O-ND2 2.83Å; N72-T74 PolarHBondContact O-N 3.09Å
73P49.2Very low70.4Confident138 Ų138107.1 Ų107.190%0.89654%0.544SS*.THydrogen-bonded Turntrans-78.746.2-166.333-38.5000113.8
74T51.1Low70.7Confident120 Ų120107.2 Ų107.274%0.73654%0.538SS*.THydrogen-bonded Turntrans-140.8-0.6-173.551.20000115.4N72N72-T74 PolarHBondContact O-N 3.09Å
75E57.4Low71Confident142 Ų142102.2 Ų102.266%0.66452%0.517SS*.PPolyproline II helixtrans-70.4140.8169-71.6-143137.200111.4
76T59.4Low71.5Confident113 Ų11399 Ų9969%0.69350%0.502SS*.PPolyproline II helixtrans-84.7126.9-177.4-49.20000110.6L78T76-L78 PolarHBondContact O-N 2.65Å
77E72.3Confident72.3Confident182 Ų182104.1 Ų104.185%0.8552%0.519SS*.PPolyproline II helixtrans-52.7123.9-178.5-68-165.8148.900112.8T79E77-T79 PolarHBondContact O-N 2.89Å
78L79.9Confident73.2Confident41 Ų4199.8 Ų99.822%0.21550%0.499CS..PPolyproline II helixtrans-72.8122.7178.6-50.2178000110.2T76 K83 L86 L121T76-L78 PolarHBondContact O-N 2.65Å; L78-K83 HydrophobicContact CB-CD 4.38Å; L78-K83 HydrophobicContact CB-CG 3.73Å; L78-K83 HydrophobicContact CD1-CG 4.36Å; L78-K83 WeakPolarHBondContact O-CE 3.44Å; L78-K83 PolarHBondContact O-NZ 2.67Å; L78-K83 VanDerWaalsContact O-NZ 3.09Å; L78-L86 HydrophobicContact CD1-CD1 4.08Å; L78-L121 HydrophobicContact CD2-CD1 3.74Å; L78-L121 HydrophobicContact CD2-CD2 3.52Å; L78-L121 HydrophobicContact CD2-CG 3.43Å; L78-L121 VanDerWaalsContact CD2-CG 3.43Å
79T86.5Confident74.2Confident77 Ų7794.2 Ų94.247%0.47247%0.472SS..PPolyproline II helixtrans-61.7151.2171.365.10000110.7E77 K81 Q82 K83E77-T79 PolarHBondContact O-N 2.89Å; T79-K81 PolarHBondContact O-N 3.15Å; T79-K81 VanDerWaalsContact O-N 3.08Å; T79-Q82 WeakPolarHBondContact O-CA 3.16Å; T79-Q82 WeakPolarHBondContact O-CB 3.07Å; T79-Q82 PolarHBondContact O-N 3.43Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.37Å; T79-Q82 PolarHBondContact OG1-N 3.34Å; T79-Q82 PolarHBondContact OG1-OE1 2.86Å; T79-K83 PolarHBondContact O-N 3.37Å
80D83.9Confident75.6Confident124 Ų12487.5 Ų87.566%0.66344%0.441SS*.Hα-helixtrans-58.7-29.5-179.1-59.9-43000112.9K83 H84D80-K83 PolarHBondContact O-N 2.85Å; D80-K83 IonicContact OD1-NZ 2.66Å; D80-H84 WeakPolarHBondContact O-CB 3.35Å; D80-H84 PolarHBondContact O-N 2.88Å
81K85.5Confident77.1Confident112 Ų11284.4 Ų84.449%0.48743%0.427SS..Hα-helixtrans-65.2-39.2172-179.9178.6173.7-177.50112.7T79 Q85 M416T79-K81 PolarHBondContact O-N 3.15Å; T79-K81 VanDerWaalsContact O-N 3.08Å; K81-Q85 WeakPolarHBondContact O-CB 3.38Å; K81-Q85 VanDerWaalsContact O-CG 3.29Å; K81-Q85 WeakPolarHBondContact O-CG 3.33Å; K81-Q85 PolarHBondContact O-N 3.23Å; K81-Q85 VanDerWaalsContact O-N 3.14Å; K81-M416 HydrophobicContact CD-CE 4.19Å; K81-M416 HydrophobicContact CD-SD 3.87Å; K81-M416 HydrophobicContact CG-SD 4.11Å
82Q87.6Confident79.3Confident58 Ų5876.2 Ų76.227%0.27139%0.389SS..Hα-helixtrans-70.6-47.1173.6-72159.2-54.400110.5T79 H84 Q85 L86 L121 L124T79-Q82 WeakPolarHBondContact O-CA 3.16Å; T79-Q82 WeakPolarHBondContact O-CB 3.07Å; T79-Q82 PolarHBondContact O-N 3.43Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.37Å; T79-Q82 PolarHBondContact OG1-N 3.34Å; T79-Q82 PolarHBondContact OG1-OE1 2.86Å; Q82-H84 VanDerWaalsContact C-N 3.34Å; Q82-H84 PolarHBondContact O-N 3.21Å; Q82-Q85 PolarHBondContact O-N 2.98Å; Q82-Q85 VanDerWaalsContact O-N 3.16Å; Q82-L86 WeakPolarHBondContact O-CB 3.22Å; Q82-L86 WeakPolarHBondContact O-CG 3.49Å; Q82-L86 PolarHBondContact O-N 3.29Å; Q82-L121 HydrophobicContact CB-CD2 4.44Å; Q82-L121 HydrophobicContact CG-CD2 4.31Å; Q82-L124 HydrophobicContact CB-CD1 3.77Å; Q82-L124 HydrophobicContact CG-CD1 3.72Å
83K85.2Confident81.6Confident97 Ų9771.3 Ų71.342%0.42236%0.363SS..Hα-helixtrans-54-47.4174.8-67.4171.9174153.20111.8L78 T79 D80 L86 R87L78-K83 HydrophobicContact CB-CD 4.38Å; L78-K83 HydrophobicContact CB-CG 3.73Å; L78-K83 HydrophobicContact CD1-CG 4.36Å; L78-K83 WeakPolarHBondContact O-CE 3.44Å; L78-K83 PolarHBondContact O-NZ 2.67Å; L78-K83 VanDerWaalsContact O-NZ 3.09Å; T79-K83 PolarHBondContact O-N 3.37Å; D80-K83 PolarHBondContact O-N 2.85Å; D80-K83 IonicContact OD1-NZ 2.66Å; K83-L86 PolarHBondContact O-N 3.28Å; K83-R87 WeakPolarHBondContact O-CG 3.24Å; K83-R87 PolarHBondContact O-N 2.86Å
84H87.4Confident83.8Confident37 Ų3764.8 Ų64.817%0.17132%0.32CS..Hα-helixtrans-58.8-47.9175.3179.370.1000112.5D80 Q82 R87 H88 L414D80-H84 WeakPolarHBondContact O-CB 3.35Å; D80-H84 PolarHBondContact O-N 2.88Å; Q82-H84 VanDerWaalsContact C-N 3.34Å; Q82-H84 PolarHBondContact O-N 3.21Å; H84-R87 PolarHBondContact O-N 3.13Å; H84-H88 AromaticContact CD2-CE1 3.98Å; H84-H88 AromaticContact CE1-CE1 3.63Å; H84-H88 AromaticContact CE1-NE2 3.95Å; H84-H88 AromaticContact NE2-CE1 3.44Å; H84-H88 PolarHBondContact NE2-CE1 3.01Å; H84-L414 PolarHBondContact NE2-O 2.71Å
85Q88.5Confident85.5Confident20 Ų2067.6 Ų67.69%0.09332%0.318CS..Hα-helixtrans-70.4-32.8-179.3-70.3179.921.400112.8K81 Q82 H88 R89 L124 K415K81-Q85 WeakPolarHBondContact O-CB 3.38Å; K81-Q85 VanDerWaalsContact O-CG 3.29Å; K81-Q85 WeakPolarHBondContact O-CG 3.33Å; K81-Q85 PolarHBondContact O-N 3.23Å; K81-Q85 VanDerWaalsContact O-N 3.14Å; Q82-Q85 PolarHBondContact O-N 2.98Å; Q82-Q85 VanDerWaalsContact O-N 3.16Å; Q85-H88 PolarHBondContact O-N 2.95Å; Q85-R89 VanDerWaalsContact O-CG 3.28Å; Q85-R89 WeakPolarHBondContact O-CG 3.38Å; Q85-L124 HydrophobicContact CB-CD2 3.93Å; Q85-K415 PolarHBondContact NE2-O 3.42Å
86L89.3Confident87.1Confident12 Ų1264.3 Ų64.36%0.06330%0.302CS..Hα-helixtrans-64.7-38.8175.2-76.4170.2000112.4L78 Q82 K83 H88 R89 E90 V120 L124 F131L78-L86 HydrophobicContact CD1-CD1 4.08Å; Q82-L86 WeakPolarHBondContact O-CB 3.22Å; Q82-L86 WeakPolarHBondContact O-CG 3.49Å; Q82-L86 PolarHBondContact O-N 3.29Å; K83-L86 PolarHBondContact O-N 3.28Å; L86-H88 PolarHBondContact O-N 2.88Å; L86-H88 VanDerWaalsContact O-N 3.09Å; L86-R89 WeakPolarHBondContact O-CA 3.29Å; L86-R89 PolarHBondContact O-N 3.15Å; L86-E90 PolarHBondContact O-N 3.41Å; L86-V120 HydrophobicContact CD1-CG1 3.84Å; L86-V120 HydrophobicContact CD2-CG1 3.81Å; L86-V120 HydrophobicContact CG-CG1 4.36Å; L86-L124 HydrophobicContact CD1-CD1 4.5Å; L86-L124 HydrophobicContact CD2-CD1 4.33Å; L86-L124 HydrophobicContact CD2-CD2 3.71Å; L86-L124 HydrophobicContact CD2-CG 3.69Å; L86-L124 HydrophobicContact CG-CD1 4.09Å; L86-L124 HydrophobicContact CG-CD2 3.91Å; L86-L124 HydrophobicContact CG-CG 3.97Å; L86-F131 HydrophobicContact CD2-CE1 4.19Å
87R88.8Confident88.7Confident139 Ų13964.8 Ų64.853%0.52529%0.292SS..THydrogen-bonded Turntrans-60-17.7173-72.6174.9173.8-176.5-2.1114.3K83 H84K83-R87 WeakPolarHBondContact O-CG 3.24Å; K83-R87 PolarHBondContact O-N 2.86Å; H84-R87 PolarHBondContact O-N 3.13Å
88H91.1Very high89.8Confident34 Ų3458.6 Ų58.616%0.15726%0.263CS..THydrogen-bonded Turntrans-93-9.5171.6-54.7149.9000114.2H84 Q85 L86 Y407 L414H84-H88 AromaticContact CD2-CE1 3.98Å; H84-H88 AromaticContact CE1-CE1 3.63Å; H84-H88 AromaticContact CE1-NE2 3.95Å; H84-H88 AromaticContact NE2-CE1 3.44Å; H84-H88 PolarHBondContact NE2-CE1 3.01Å; Q85-H88 PolarHBondContact O-N 2.95Å; L86-H88 PolarHBondContact O-N 2.88Å; L86-H88 VanDerWaalsContact O-N 3.09Å; H88-Y407 PolarHBondContact ND1-OH 3.15Å; H88-L414 PolarHBondContact CE1-O 2.75Å; H88-L414 VanDerWaalsContact CE1-O 3.26Å
89R92.6Very high90.5Very high16 Ų1659.5 Ų59.56%0.0627%0.273CS..THydrogen-bonded Turntrans-100.7-19.4177.8-50.9-133.1-170.3-171.19.5112.4Q85 L86 Y123 L124 K126 T129 F130 F131 Y411Q85-R89 VanDerWaalsContact O-CG 3.28Å; Q85-R89 WeakPolarHBondContact O-CG 3.38Å; L86-R89 WeakPolarHBondContact O-CA 3.29Å; L86-R89 PolarHBondContact O-N 3.15Å; R89-Y123 WeakPolarHBondContact CD-O 3.2Å; R89-Y123 PolarHBondContact NH1-O 2.98Å; R89-L124 HydrophobicContact CG-CD2 4.43Å; R89-L124 PolarHBondContact NH2-O 3.2Å; R89-K126 PolarHBondContact NH1-O 3.09Å; R89-T129 WeakPolarHBondContact CD-O 3.46Å; R89-T129 PolarHBondContact NH1-O 3.15Å; R89-F130 CarbonylContact O-C 3.56Å; R89-F130 VanDerWaalsContact O-CA 3.25Å; R89-F130 WeakPolarHBondContact O-CA 3.18Å; R89-F130 VanDerWaalsContact O-CB 3.25Å; R89-F130 WeakPolarHBondContact O-CB 3.3Å; R89-F130 WeakPolarHBondContact O-CD1 3.16Å; R89-F131 HydrophobicContact CB-CD1 4.33Å; R89-F131 HydrophobicContact CB-CE1 4.15Å; R89-F131 PolarHBondContact O-N 3.19Å; R89-Y411 HydrophobicContact CG-CD1 4.3Å; R89-Y411 HydrophobicContact CG-CE1 4.24Å; R89-Y411 PolarHBondContact NH1-OH 3.44Å
90E93.1Very high90.9Very high15 Ų1557.5 Ų57.57%0.0726%0.259CS..EExtended strand (participates in β ladder)trans-67.3133.1167.4-171.7-175.7174.600111.4R48 L86 F92 F131R48-E90 IonicContact CZ-OE2 3.17Å; R48-E90 IonicContact NE-OE1 2.58Å; R48-E90 IonicContact NE-OE2 2.68Å; R48-E90 PolarHBondContact NE-OE2 3.22Å; R48-E90 IonicContact NH2-OE1 2.72Å; R48-E90 IonicContact NH2-OE2 3.07Å; R48-E90 PolarHBondContact NH2-OE2 3.19Å; L86-E90 PolarHBondContact O-N 3.41Å; E90-F92 HydrophobicContact CG-CZ 4.49Å; E90-F92 WeakPolarHBondContact OE1-CZ 3.39Å; E90-F131 CarbonylContact C-O 3.59Å; E90-F131 WeakPolarHBondContact CA-O 3.28Å; E90-F131 HydrophobicContact CB-CE1 4.34Å; E90-F131 HydrophobicContact CB-CE2 3.8Å; E90-F131 HydrophobicContact CB-CZ 3.69Å; E90-F131 HydrophobicContact CG-CD2 4.47Å; E90-F131 HydrophobicContact CG-CE2 3.81Å; E90-F131 HydrophobicContact CG-CZ 4.2Å
91L95.4Very high91.4Very high0 Ų054 Ų540%024%0.244CC..EExtended strand (participates in β ladder)trans-130.5160.2174.5-62.2174.5000109.8I24 F45 Y46 R47 V111 F130 F131 Y132I24-L91 HydrophobicContact CB-CD1 3.89Å; I24-L91 HydrophobicContact CD1-CD2 4.14Å; I24-L91 HydrophobicContact CG1-CD1 4Å; I24-L91 HydrophobicContact CG1-CD2 4.47Å; I24-L91 HydrophobicContact CG2-CD1 3.7Å; F45-L91 HydrophobicContact CB-CB 4.28Å; F45-L91 HydrophobicContact CB-CD1 4.04Å; F45-L91 HydrophobicContact CD1-CB 4.05Å; F45-L91 HydrophobicContact CD1-CD1 4.25Å; F45-L91 HydrophobicContact CG-CD1 4.32Å; Y46-L91 CarbonylContact O-C 3.59Å; Y46-L91 WeakPolarHBondContact O-CA 3.2Å; R47-L91 HydrophobicContact CG-CD2 3.84Å; L91-V111 HydrophobicContact CD1-CG1 4.07Å; L91-V111 HydrophobicContact CD1-CG2 4.12Å; L91-F130 HydrophobicContact CD1-CB 3.63Å; L91-F130 HydrophobicContact CD1-CD1 3.8Å; L91-F130 HydrophobicContact CD1-CG 3.82Å; L91-F130 HydrophobicContact CD2-CD1 4.23Å; L91-F130 HydrophobicContact CG-CB 4.17Å; L91-F130 HydrophobicContact CG-CD1 3.94Å; L91-F130 HydrophobicContact CG-CG 4.37Å; L91-F131 PolarHBondContact N-O 2.88Å; L91-Y132 VanDerWaalsContact O-CA 3.3Å; L91-Y132 WeakPolarHBondContact O-CA 2.91Å; L91-Y132 WeakPolarHBondContact O-CB 3.46Å
92F95.5Very high91.9Very high1 Ų148.9 Ų48.90%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-110.8120.1171.5-57-83.1000108.8F45 Y46 R48 I51 A59 E90 L134 L143F45-F92 WeakPolarHBondContact CA-O 3.41Å; Y46-F92 PolarHBondContact N-O 2.85Å; Y46-F92 PolarHBondContact O-N 2.96Å; R48-F92 HydrophobicContact CB-CE2 4.47Å; R48-F92 HydrophobicContact CG-CE2 3.82Å; R48-F92 HydrophobicContact CG-CZ 4.19Å; I51-F92 HydrophobicContact CD1-CD1 4.42Å; I51-F92 HydrophobicContact CD1-CD2 3.79Å; I51-F92 HydrophobicContact CD1-CE1 4.22Å; I51-F92 HydrophobicContact CD1-CE2 3.57Å; I51-F92 HydrophobicContact CD1-CG 4.24Å; I51-F92 HydrophobicContact CD1-CZ 3.81Å; I51-F92 HydrophobicContact CG1-CD2 4.47Å; I51-F92 HydrophobicContact CG1-CE2 4.35Å; A59-F92 HydrophobicContact CB-CE1 3.88Å; A59-F92 HydrophobicContact CB-CZ 3.98Å; E90-F92 HydrophobicContact CG-CZ 4.49Å; E90-F92 WeakPolarHBondContact OE1-CZ 3.39Å; F92-L134 HydrophobicContact CD1-CB 4.03Å; F92-L134 HydrophobicContact CE1-CB 4.3Å; F92-L134 HydrophobicContact CE1-CD1 4.27Å; F92-L143 HydrophobicContact CD1-CD1 4.5Å; F92-L143 HydrophobicContact CD1-CD2 3.59Å; F92-L143 HydrophobicContact CE1-CD1 4.21Å; F92-L143 HydrophobicContact CE1-CD2 4.12Å; F92-L143 HydrophobicContact CG-CD2 4.27Å
93L95.2Very high92.1Very high20 Ų2050.2 Ų50.211%0.10523%0.234CC..EExtended strand (participates in β ladder)trans-69.2129.8175.716961.6000108.9V43 F45 Y132 L134 V135 Y136V43-L93 HydrophobicContact CG1-CD1 3.63Å; F45-L93 HydrophobicContact CD1-CB 4.35Å; F45-L93 HydrophobicContact CE1-CB 3.89Å; F45-L93 HydrophobicContact CE1-CD1 3.81Å; F45-L93 HydrophobicContact CE1-CG 4.42Å; F45-L93 HydrophobicContact CE2-CD1 4.23Å; F45-L93 HydrophobicContact CZ-CD1 3.63Å; L93-Y132 HydrophobicContact CB-CD2 3.57Å; L93-Y132 HydrophobicContact CB-CE2 3.74Å; L93-Y132 HydrophobicContact CB-CG 4.06Å; L93-Y132 HydrophobicContact CD2-CD2 4.3Å; L93-Y132 HydrophobicContact CD2-CE2 3.56Å; L93-Y132 HydrophobicContact CG-CE2 4.29Å; L93-L134 PolarHBondContact N-O 3.06Å; L93-V135 HydrophobicContact CD2-CG2 4.46Å; L93-V135 CarbonylContact O-C 3.58Å; L93-V135 VanDerWaalsContact O-CA 3.26Å; L93-V135 WeakPolarHBondContact O-CA 3.3Å; L93-V135 WeakPolarHBondContact O-CG1 3.5Å; L93-Y136 PolarHBondContact O-N 3.3Å
94S94.1Very high92.5Very high1 Ų148.3 Ų48.31%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-115.5138.6169.4-1710000111.6C44 Q96 Y136 P138C44-S94 WeakPolarHBondContact O-CB 3.48Å; C44-S94 PolarHBondContact O-N 2.78Å; S94-Q96 PolarHBondContact O-N 3.24Å; S94-Q96 PolarHBondContact OG-N 2.96Å; S94-Y136 WeakPolarHBondContact CA-O 3.36Å; S94-Y136 WeakPolarHBondContact CB-O 3.4Å; S94-Y136 PolarHBondContact OG-O 3.19Å; S94-P138 WeakPolarHBondContact OG-CD 3.24Å
95R86.4Confident92.9Very high179 Ų17946.7 Ų46.768%0.67522%0.219SC*.EExtended strand (participates in β ladder)trans-78.16.3174.1-58.9-176.9-177.5-177.41.6112.7Y97 V135 D146R95-Y97 WeakPolarHBondContact O-CD2 3.41Å; R95-Y97 WeakPolarHBondContact O-CE2 3.13Å; R95-V135 HydrophobicContact CG-CG1 4.27Å; R95-D146 IonicContact NH2-OD1 3.88Å; R95-D146 PolarHBondContact NH2-OD1 2.84Å
96Q91.3Very high93.1Very high72 Ų7248.7 Ų48.734%0.33623%0.226SC..EExtended strand (participates in β ladder)trans-72.6144.6167.9-177.7174.3-22.400111C44 S94 P138C44-Q96 PolarHBondContact N-O 3.29Å; C44-Q96 PolarHBondContact SG-O 3.15Å; S94-Q96 PolarHBondContact O-N 3.24Å; S94-Q96 PolarHBondContact OG-N 2.96Å; Q96-P138 HydrophobicContact CB-CG 4.15Å
97Y94.1Very high93.3Very high123 Ų12348.9 Ų48.948%0.48223%0.231SC..EExtended strand (participates in β ladder)trans-114.7148172.5-62.3-108000110.1E28 K41 V42 V43 R95E28-Y97 HydrophobicContact CB-CE1 4.28Å; E28-Y97 HydrophobicContact CG-CD1 4.16Å; E28-Y97 HydrophobicContact CG-CE1 3.81Å; K41-Y97 HydrophobicContact CG-CD1 4.34Å; V42-Y97 VanDerWaalsContact O-CA 3.32Å; V42-Y97 WeakPolarHBondContact O-CA 3.32Å; V43-Y97 HydrophobicContact CG2-CD1 3.95Å; V43-Y97 HydrophobicContact CG2-CE1 3.66Å; V43-Y97 HydrophobicContact CG2-CE2 4.44Å; V43-Y97 HydrophobicContact CG2-CG 4.47Å; R95-Y97 WeakPolarHBondContact O-CD2 3.41Å; R95-Y97 WeakPolarHBondContact O-CE2 3.13Å
98E94.6Very high93.6Very high52 Ų5245.6 Ų45.624%0.24322%0.22CC..EExtended strand (participates in β ladder)trans-129.7148168.9-72174.5-132.200109.8R25 K41 V42 L100R25-E98 IonicContact CZ-OE1 3.08Å; R25-E98 VanDerWaalsContact CZ-OE1 3.23Å; R25-E98 IonicContact CZ-OE2 2.82Å; R25-E98 IonicContact NH1-OE1 2.81Å; R25-E98 PolarHBondContact NH1-OE1 3.38Å; R25-E98 IonicContact NH1-OE2 2.73Å; R25-E98 IonicContact NH2-OE1 2.74Å; R25-E98 PolarHBondContact NH2-OE1 3.41Å; R25-E98 IonicContact NH2-OE2 3.11Å; R25-E98 PolarHBondContact NH2-OE2 3.2Å; K41-E98 CarbonylContact C-O 3.58Å; K41-E98 WeakPolarHBondContact CA-O 3.46Å; V42-E98 HydrophobicContact CG2-CB 4.45Å; V42-E98 PolarHBondContact N-O 3.24Å; V42-E98 PolarHBondContact O-N 3.4Å; E98-L100 HydrophobicContact CB-CG 4.43Å
99S95Very high93.8Very high61 Ų6144.7 Ų44.743%0.42722%0.218SC..EExtended strand (participates in β ladder)trans-101.2126.8164.5-159.10000108.8E39E39-S99 WeakPolarHBondContact OE2-CB 3.35Å; E39-S99 PolarHBondContact OE2-OG 3.11Å
100L94.7Very high93.9Very high34 Ų3446.7 Ų46.718%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-137.4147.7-179-66.3173.8000110.1F14 E39 A40 E98 A102F14-L100 HydrophobicContact CD1-CB 4.27Å; F14-L100 HydrophobicContact CD1-CD1 3.86Å; F14-L100 HydrophobicContact CE1-CB 3.7Å; F14-L100 HydrophobicContact CE1-CD1 4.03Å; F14-L100 HydrophobicContact CZ-CB 4.5Å; E39-L100 WeakPolarHBondContact CA-O 3.28Å; A40-L100 PolarHBondContact N-O 3.49Å; A40-L100 PolarHBondContact O-N 3.09Å; E98-L100 HydrophobicContact CB-CG 4.43Å; L100-A102 PolarHBondContact O-N 2.8Å
101P95.2Very high94Very high52 Ų5246.2 Ų46.234%0.33823%0.232SC..EExtended strand (participates in β ladder)trans-54.1128.9172.8-26.134.9000111.2T103 H104P101-T103 PolarHBondContact O-N 2.9Å; P101-T103 VanDerWaalsContact O-N 3.1Å; P101-H104 WeakPolarHBondContact O-CB 3.28Å; P101-H104 PolarHBondContact O-N 3.18Å
102A94.5Very high93.8Very high3 Ų347.7 Ų47.73%0.02524%0.244CC..G310 helixtrans-58.7-29.6-179.100000111.5V38 L100 H104 I105 V337 I339V38-A102 HydrophobicContact CB-CB 4.21Å; V38-A102 HydrophobicContact CG1-CB 4.09Å; V38-A102 VanDerWaalsContact O-CB 3.3Å; V38-A102 WeakPolarHBondContact O-CB 3.49Å; V38-A102 PolarHBondContact O-N 3.05Å; L100-A102 PolarHBondContact O-N 2.8Å; A102-H104 PolarHBondContact O-N 3.3Å; A102-I105 WeakPolarHBondContact O-CB 3.46Å; A102-I105 WeakPolarHBondContact O-CG1 3.41Å; A102-I105 PolarHBondContact O-N 3.38Å; A102-V337 HydrophobicContact CB-CG1 4.45Å; A102-I339 HydrophobicContact CB-CD1 4.26Å; A102-I339 VanDerWaalsContact O-CD1 3.25Å; A102-I339 WeakPolarHBondContact O-CD1 3.26Å
103T92.8Very high93.5Very high87 Ų8750.6 Ų50.653%0.53426%0.26SS..G310 helixtrans-58.5-8.3174.354.70000115.4P101 R106P101-T103 PolarHBondContact O-N 2.9Å; P101-T103 VanDerWaalsContact O-N 3.1Å; T103-R106 PolarHBondContact O-NH1 3.33Å
104H93.7Very high93.1Very high57 Ų5751.1 Ų51.126%0.26426%0.262SS..G310 helixtrans-82.5-12.9170.2-67.8179.2000113.5F14 E15 P101 A102F14-H104 HydrophobicContact CD1-CB 3.61Å; F14-H104 HydrophobicContact CE1-CB 3.97Å; E15-H104 PolarHBondContact N-O 2.98Å; P101-H104 WeakPolarHBondContact O-CB 3.28Å; P101-H104 PolarHBondContact O-N 3.18Å; A102-H104 PolarHBondContact O-N 3.3Å
105I94.9Very high92.1Very high3 Ų354.3 Ų54.32%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-67.5141.4175.5-62.8165000109.9Y6 V12 F13 F14 I27 A102 I339Y6-I105 HydrophobicContact CD1-CG2 3.77Å; Y6-I105 HydrophobicContact CD2-CG2 4.45Å; Y6-I105 HydrophobicContact CE1-CG2 3.36Å; Y6-I105 HydrophobicContact CE2-CG2 4.13Å; Y6-I105 HydrophobicContact CG-CG2 4.28Å; V12-I105 HydrophobicContact CB-CG1 4.44Å; V12-I105 HydrophobicContact CB-CG2 4.02Å; V12-I105 HydrophobicContact CG1-CG2 3.97Å; V12-I105 HydrophobicContact CG2-CD1 4.37Å; V12-I105 HydrophobicContact CG2-CG1 4.33Å; F13-I105 CarbonylContact O-C 3.56Å; F13-I105 WeakPolarHBondContact O-CA 3.05Å; F14-I105 HydrophobicContact CD1-CG1 4.43Å; F14-I105 HydrophobicContact CD2-CG1 4.01Å; F14-I105 HydrophobicContact CE1-CG1 3.96Å; F14-I105 HydrophobicContact CE2-CD1 4.02Å; F14-I105 HydrophobicContact CE2-CG1 3.52Å; F14-I105 HydrophobicContact CG-CG1 4.45Å; F14-I105 HydrophobicContact CZ-CD1 3.88Å; F14-I105 HydrophobicContact CZ-CG1 3.49Å; F14-I105 VanDerWaalsContact CZ-CG1 3.49Å; I27-I105 HydrophobicContact CD1-CD1 3.9Å; A102-I105 WeakPolarHBondContact O-CB 3.46Å; A102-I105 WeakPolarHBondContact O-CG1 3.41Å; A102-I105 PolarHBondContact O-N 3.38Å; I105-I339 HydrophobicContact CB-CD1 3.81Å; I105-I339 HydrophobicContact CD1-CD1 3.87Å; I105-I339 HydrophobicContact CG1-CD1 4.33Å; I105-I339 HydrophobicContact CG2-CD1 4.34Å
106R92.7Very high91Very high61 Ų6151.7 Ų51.723%0.2328%0.275CS..EExtended strand (participates in β ladder)trans-125.8-13.7-178.5-65.6-64.4-179.6-101.8-5.1114.9F13 E15 Y22 T103F13-R106 PolarHBondContact O-N 2.87Å; E15-R106 HydrophobicContact CB-CG 3.75Å; E15-R106 IonicContact OE2-CZ 3.16Å; E15-R106 VanDerWaalsContact OE2-CZ 3.26Å; E15-R106 IonicContact OE2-NE 2.66Å; E15-R106 PolarHBondContact OE2-NE 3.06Å; E15-R106 IonicContact OE2-NH2 2.86Å; E15-R106 PolarHBondContact OE2-NH2 2.94Å; Y22-R106 HydrophobicContact CD1-CB 4.47Å; Y22-R106 HydrophobicContact CD1-CG 4.29Å; Y22-R106 HydrophobicContact CE1-CB 3.98Å; Y22-R106 HydrophobicContact CE1-CG 3.71Å; Y22-R106 HydrophobicContact CE2-CB 4.47Å; T103-R106 PolarHBondContact O-NH1 3.33Å
107G93.6Very high89.6Confident16 Ų1654.8 Ų54.817%0.16530%0.299CS..EExtended strand (participates in β ladder)trans175.1169.6-179.600000111Y6 V12 F13Y6-G107 WeakPolarHBondContact OH-CA 3.5Å; Y6-G107 PolarHBondContact OH-N 2.85Å; V12-G107 WeakPolarHBondContact CA-O 3.44Å; F13-G107 PolarHBondContact N-O 3.19Å
108K94.9Very high88.5Confident70 Ų7051.9 Ų51.930%0.30429%0.29SS..EExtended strand (participates in β ladder)trans-92159.1171.2-58.1-165.6-172.7-163.80110.8M5 Y6 D10 Y11 V12 F13M5-K108 WeakPolarHBondContact O-CE 2.99Å; M5-K108 PolarHBondContact O-NZ 2.78Å; Y6-K108 HydrophobicContact CD1-CD 4.35Å; Y6-K108 HydrophobicContact CD1-CG 3.8Å; Y6-K108 HydrophobicContact CE1-CD 4.46Å; Y6-K108 HydrophobicContact CE1-CG 3.54Å; D10-K108 IonicContact OD1-NZ 2.75Å; D10-K108 PolarHBondContact OD1-NZ 3.27Å; D10-K108 WeakPolarHBondContact OD2-CE 3.44Å; D10-K108 IonicContact OD2-NZ 3.43Å; D10-K108 PolarHBondContact OD2-NZ 3.22Å; Y11-K108 WeakPolarHBondContact O-CA 3.38Å; V12-K108 HydrophobicContact CG1-CG 4.42Å; F13-K108 WeakPolarHBondContact CE2-O 3.39Å
109C95.6Very high87.8Confident16 Ų1651.7 Ų51.711%0.10830%0.297CS..EExtended strand (participates in β ladder)trans-136.7179.1166.853.60000109.3Y11 V12 F13 D128 F130Y11-C109 VanDerWaalsContact C-SG 3.53Å; Y11-C109 PolarHBondContact O-N 2.68Å; V12-C109 PolarHBondContact N-SG 2.74Å; F13-C109 HydrophobicContact CD2-CB 4.34Å; F13-C109 HydrophobicContact CE1-CB 4.21Å; F13-C109 HydrophobicContact CE2-CB 3.81Å; F13-C109 HydrophobicContact CZ-CB 3.75Å; C109-D128 CarbonylContact C-O 3.07Å; C109-D128 VanDerWaalsContact CA-O 3.3Å; C109-D128 WeakPolarHBondContact CA-O 3.31Å; C109-D128 HydrophobicContact CB-CB 4.32Å; C109-D128 WeakPolarHBondContact CB-O 3.33Å; C109-F130 HydrophobicContact CB-CD2 4.17Å; C109-F130 HydrophobicContact CB-CE2 4.02Å
110S95.1Very high87.1Confident57 Ų5750.6 Ų50.640%0.39929%0.288SS..EExtended strand (participates in β ladder)trans-118.6135.5167.1-173.60000108.8D128 T129 F130S110-D128 PolarHBondContact N-O 2.83Å; S110-T129 CarbonylContact O-C 3.42Å; S110-T129 WeakPolarHBondContact O-CA 3.48Å; S110-F130 PolarHBondContact O-N 2.71Å
111V94.6Very high86.7Confident5 Ų551.4 Ų51.43%0.0329%0.292CS..EExtended strand (participates in β ladder)trans-131.6128.4171-165.20000108Y11 I24 F45 L91 F130 Y132Y11-V111 HydrophobicContact CD1-CB 3.64Å; Y11-V111 HydrophobicContact CD1-CG2 3.49Å; Y11-V111 VanDerWaalsContact CD1-CG2 3.49Å; Y11-V111 HydrophobicContact CD2-CB 4.43Å; Y11-V111 HydrophobicContact CE1-CB 3.71Å; Y11-V111 HydrophobicContact CE1-CG2 4.08Å; Y11-V111 HydrophobicContact CE2-CB 4.49Å; Y11-V111 VanDerWaalsContact CE2-O 3.29Å; Y11-V111 WeakPolarHBondContact CE2-O 3.28Å; Y11-V111 HydrophobicContact CG-CB 4.02Å; Y11-V111 HydrophobicContact CG-CG2 3.79Å; I24-V111 HydrophobicContact CG2-CG2 3.71Å; F45-V111 HydrophobicContact CD1-CG1 4.23Å; F45-V111 HydrophobicContact CE1-CG1 3.86Å; F45-V111 HydrophobicContact CZ-CG1 4.31Å; L91-V111 HydrophobicContact CD1-CG1 4.07Å; L91-V111 HydrophobicContact CD1-CG2 4.12Å; V111-F130 WeakPolarHBondContact CA-O 3.41Å; V111-F130 HydrophobicContact CG1-CB 4.23Å; V111-F130 HydrophobicContact CG2-CB 4.19Å; V111-Y132 HydrophobicContact CG1-CD1 4.15Å
112A91.1Very high86.2Confident32 Ų3250.6 Ų50.626%0.26429%0.287SS..EExtended strand (participates in β ladder)trans-122.915917700000111.5Y123 F130 F131 Y132A112-Y123 HydrophobicContact CB-CE1 4.18Å; A112-Y123 WeakPolarHBondContact CB-OH 3.42Å; A112-F130 PolarHBondContact N-O 3Å; A112-F131 CarbonylContact O-C 3.49Å; A112-F131 VanDerWaalsContact O-CA 3.27Å; A112-F131 WeakPolarHBondContact O-CA 3.46Å; A112-Y132 VanDerWaalsContact O-CD1 3.26Å; A112-Y132 WeakPolarHBondContact O-CD1 3.28Å; A112-Y132 PolarHBondContact O-N 2.9Å
113L89.6Confident85.9Confident62 Ų6251 Ų5133%0.32529%0.288SS..EExtended strand (participates in β ladder)trans-73.3131.5164.3178.569.4000107.8N115 Y132 D146L113-N115 PolarHBondContact O-N 2.78Å; L113-Y132 CarbonylContact C-O 3.55Å; L113-Y132 WeakPolarHBondContact CA-O 3.47Å; L113-Y132 HydrophobicContact CB-CE1 4.01Å; L113-Y132 HydrophobicContact CD1-CD2 4.07Å; L113-Y132 HydrophobicContact CD1-CE1 4.41Å; L113-Y132 HydrophobicContact CD1-CE2 3.55Å; L113-D146 HydrophobicContact CD1-CB 4.4Å
114L85.9Confident85.6Confident30 Ų3048 Ų4816%0.15727%0.269CS..  trans-7299.7177179.959.9000110V120 Y123 F131 Y132L114-V120 HydrophobicContact CD1-CG2 4.22Å; L114-V120 HydrophobicContact CD2-CG2 4.27Å; L114-Y123 HydrophobicContact CD1-CE2 4.11Å; L114-F131 HydrophobicContact CB-CB 4.35Å; L114-F131 HydrophobicContact CB-CD2 4.08Å; L114-F131 HydrophobicContact CD2-CD2 3.96Å; L114-F131 HydrophobicContact CD2-CE2 4.07Å; L114-Y132 PolarHBondContact N-O 2.71Å
115N73.4Confident85.3Confident69 Ų6951.7 Ų51.737%0.36929%0.291SS..  trans-73.1149.6176.3-64.8-50.2000111.2L113 T117 E118L113-N115 PolarHBondContact O-N 2.78Å; N115-T117 PolarHBondContact O-N 2.76Å; N115-E118 HydrophobicContact CB-CB 4.43Å; N115-E118 HydrophobicContact CB-CG 4.06Å; N115-E118 PolarHBondContact ND2-OE1 3.38Å; N115-E118 PolarHBondContact O-N 2.72Å; N115-E118 VanDerWaalsContact O-N 3.15Å
116E63.8Low85.1Confident123 Ų12357.5 Ų57.558%0.57532%0.316SS*.THydrogen-bonded Turntrans-58.3-34.1179.3-74.6149-15700113K70 K147K70-E116 WeakPolarHBondContact CE-O 3.44Å; K70-E116 PolarHBondContact NZ-O 3.49Å; E116-K147 WeakPolarHBondContact OE1-CE 3.31Å; E116-K147 IonicContact OE1-NZ 3.55Å; E116-K147 PolarHBondContact OE1-NZ 3.46Å
117T61Low84.9Confident138 Ų13862.2 Ų62.285%0.84734%0.34SS*.THydrogen-bonded Turntrans-87.51-177.851.90000114.4N115N115-T117 PolarHBondContact O-N 2.76Å
118E72.6Confident84.9Confident62 Ų6262.9 Ų62.929%0.2934%0.34SS..SBendtrans-98.4121178.8-75.1177.9-153.800111.8N115 V120 Y123N115-E118 HydrophobicContact CB-CB 4.43Å; N115-E118 HydrophobicContact CB-CG 4.06Å; N115-E118 PolarHBondContact ND2-OE1 3.38Å; N115-E118 PolarHBondContact O-N 2.72Å; N115-E118 VanDerWaalsContact O-N 3.15Å; E118-V120 PolarHBondContact O-N 3.04Å; E118-Y123 WeakPolarHBondContact OE2-CE2 3.35Å; E118-Y123 PolarHBondContact OE2-OH 3.49Å
119A79.1Confident84.9Confident47 Ų4760.3 Ų60.339%0.38833%0.33SS..  trans-65.7120.717300000110.3L121 S122A119-L121 PolarHBondContact O-N 3.32Å; A119-L121 VanDerWaalsContact O-N 3.13Å; A119-S122 WeakPolarHBondContact O-CB 3.43Å; A119-S122 PolarHBondContact O-N 3.03Å; A119-S122 PolarHBondContact O-OG 3.09Å
120V80.9Confident84.8Confident39 Ų3959.5 Ų59.524%0.23633%0.325CS..THydrogen-bonded Turntrans-58.4-31.1-174.7-171.50000111.8L86 L114 E118 S122 Y123 F131L86-V120 HydrophobicContact CD1-CG1 3.84Å; L86-V120 HydrophobicContact CD2-CG1 3.81Å; L86-V120 HydrophobicContact CG-CG1 4.36Å; L114-V120 HydrophobicContact CD1-CG2 4.22Å; L114-V120 HydrophobicContact CD2-CG2 4.27Å; E118-V120 PolarHBondContact O-N 3.04Å; V120-S122 PolarHBondContact O-N 3.04Å; V120-Y123 WeakPolarHBondContact O-CB 3.45Å; V120-Y123 PolarHBondContact O-N 2.64Å; V120-F131 HydrophobicContact CG1-CE1 4.26Å; V120-F131 HydrophobicContact CG1-CZ 4.27Å
121L85.1Confident84.8Confident50 Ų5057.4 Ų57.426%0.26231%0.309SS..THydrogen-bonded Turntrans-53.8-35.6173.8-81172.3000114.1L78 Q82 A119 Y123 L124L78-L121 HydrophobicContact CD2-CD1 3.74Å; L78-L121 HydrophobicContact CD2-CD2 3.52Å; L78-L121 HydrophobicContact CD2-CG 3.43Å; L78-L121 VanDerWaalsContact CD2-CG 3.43Å; Q82-L121 HydrophobicContact CB-CD2 4.44Å; Q82-L121 HydrophobicContact CG-CD2 4.31Å; A119-L121 PolarHBondContact O-N 3.32Å; A119-L121 VanDerWaalsContact O-N 3.13Å; L121-Y123 PolarHBondContact O-N 3.29Å; L121-L124 HydrophobicContact CD2-CD1 4.24Å; L121-L124 WeakPolarHBondContact O-CB 3.23Å; L121-L124 PolarHBondContact O-N 2.98Å
122S86.1Confident84.7Confident35 Ų3558.4 Ų58.425%0.24531%0.312CS..Hα-helixtrans-65.1-12.8-176.770.60000114.1A119 V120A119-S122 WeakPolarHBondContact O-CB 3.43Å; A119-S122 PolarHBondContact O-N 3.03Å; A119-S122 PolarHBondContact O-OG 3.09Å; V120-S122 PolarHBondContact O-N 3.04Å
123Y87Confident84.6Confident11 Ų1157.9 Ų57.94%0.04331%0.307CS..Hα-helixtrans-79.6-15.9170.9-73-94.8000113.2R89 A112 L114 E118 V120 L121 T129 F130 F131R89-Y123 WeakPolarHBondContact CD-O 3.2Å; R89-Y123 PolarHBondContact NH1-O 2.98Å; A112-Y123 HydrophobicContact CB-CE1 4.18Å; A112-Y123 WeakPolarHBondContact CB-OH 3.42Å; L114-Y123 HydrophobicContact CD1-CE2 4.11Å; E118-Y123 WeakPolarHBondContact OE2-CE2 3.35Å; E118-Y123 PolarHBondContact OE2-OH 3.49Å; V120-Y123 WeakPolarHBondContact O-CB 3.45Å; V120-Y123 PolarHBondContact O-N 2.64Å; L121-Y123 PolarHBondContact O-N 3.29Å; Y123-T129 HydrophobicContact CD1-CG2 3.84Å; Y123-T129 HydrophobicContact CE1-CG2 4.21Å; Y123-F130 WeakPolarHBondContact CE1-O 3.5Å; Y123-F131 HydrophobicContact CD1-CB 3.82Å; Y123-F131 AromaticContact CD1-CD1 4Å; Y123-F131 HydrophobicContact CD1-CD1 4Å; Y123-F131 HydrophobicContact CD1-CG 4.39Å; Y123-F131 HydrophobicContact CE1-CB 3.59Å; Y123-F131 HydrophobicContact CG-CB 4.44Å; Y123-F131 HydrophobicContact CG-CD1 4Å
124L87.7Confident84.6Confident25 Ų2555.2 Ų55.213%0.13129%0.293CS..Hα-helixtrans-81.9-39.3173-66-177.1000112.6Q82 Q85 L86 R89 L121 K126Q82-L124 HydrophobicContact CB-CD1 3.77Å; Q82-L124 HydrophobicContact CG-CD1 3.72Å; Q85-L124 HydrophobicContact CB-CD2 3.93Å; L86-L124 HydrophobicContact CD1-CD1 4.5Å; L86-L124 HydrophobicContact CD2-CD1 4.33Å; L86-L124 HydrophobicContact CD2-CD2 3.71Å; L86-L124 HydrophobicContact CD2-CG 3.69Å; L86-L124 HydrophobicContact CG-CD1 4.09Å; L86-L124 HydrophobicContact CG-CD2 3.91Å; L86-L124 HydrophobicContact CG-CG 3.97Å; R89-L124 HydrophobicContact CG-CD2 4.43Å; R89-L124 PolarHBondContact NH2-O 3.2Å; L121-L124 HydrophobicContact CD2-CD1 4.24Å; L121-L124 WeakPolarHBondContact O-CB 3.23Å; L121-L124 PolarHBondContact O-N 2.98Å; L124-K126 PolarHBondContact O-N 3.28Å
125D87.6Confident85Confident135 Ų13554.4 Ų54.472%0.72229%0.289SS*.Hα-helixtrans-64.7-27.6-172-55.5-33.8000113.6
126K88.8Confident86Confident124 Ų12451.8 Ų51.854%0.53927%0.274SS..SBendtrans-95135.6178.5-61.4165.4-1701580109.6R89 L124 T129R89-K126 PolarHBondContact NH1-O 3.09Å; L124-K126 PolarHBondContact O-N 3.28Å; K126-T129 HydrophobicContact CB-CG2 4.45Å; K126-T129 WeakPolarHBondContact CB-OG1 3.27Å; K126-T129 HydrophobicContact CD-CG2 4.41Å
127E89.5Confident87.4Confident160 Ų16048.1 Ų48.175%0.74826%0.258SS*.THydrogen-bonded Turntrans-67.2157.9167.8-63-152.9151.800111.4T129E127-T129 PolarHBondContact O-N 3.49Å; E127-T129 PolarHBondContact O-OG1 3.41Å
128D93.4Very high88.8Confident31 Ų3142.8 Ų42.817%0.16623%0.226CC..THydrogen-bonded Turntrans48.925.3173.3-59.1-0.4000115.8F13 C109 S110 K410 Y411F13-D128 HydrophobicContact CE2-CB 4.04Å; F13-D128 HydrophobicContact CZ-CB 4.17Å; C109-D128 CarbonylContact C-O 3.07Å; C109-D128 VanDerWaalsContact CA-O 3.3Å; C109-D128 WeakPolarHBondContact CA-O 3.31Å; C109-D128 HydrophobicContact CB-CB 4.32Å; C109-D128 WeakPolarHBondContact CB-O 3.33Å; S110-D128 PolarHBondContact N-O 2.83Å; D128-K410 WeakPolarHBondContact OD1-CD 3.41Å; D128-K410 WeakPolarHBondContact OD1-CE 3.46Å; D128-K410 IonicContact OD1-NZ 2.74Å; D128-K410 PolarHBondContact OD1-NZ 2.81Å; D128-K410 WeakPolarHBondContact OD2-CE 3.38Å; D128-K410 IonicContact OD2-NZ 3.14Å; D128-K410 PolarHBondContact OD2-NZ 2.69Å; D128-Y411 PolarHBondContact N-OH 3.2Å
129T94Very high89.7Confident15 Ų1545.8 Ų45.89%0.09225%0.249CC..EExtended strand (participates in β ladder)trans-108.9131.3-175.4-57.30000110.4R89 S110 Y123 K126 E127R89-T129 WeakPolarHBondContact CD-O 3.46Å; R89-T129 PolarHBondContact NH1-O 3.15Å; S110-T129 CarbonylContact O-C 3.42Å; S110-T129 WeakPolarHBondContact O-CA 3.48Å; Y123-T129 HydrophobicContact CD1-CG2 3.84Å; Y123-T129 HydrophobicContact CE1-CG2 4.21Å; K126-T129 HydrophobicContact CB-CG2 4.45Å; K126-T129 WeakPolarHBondContact CB-OG1 3.27Å; K126-T129 HydrophobicContact CD-CG2 4.41Å; E127-T129 PolarHBondContact O-N 3.49Å; E127-T129 PolarHBondContact O-OG1 3.41Å
130F95.4Very high90.2Very high0 Ų050.2 Ų50.20%026%0.261CS..EExtended strand (participates in β ladder)trans-130.3163.8-174.2-62.7-99.8000110.2F13 I24 R89 L91 C109 S110 V111 A112 Y123 Y411F13-F130 AromaticContact CE1-CE2 3.8Å; F13-F130 HydrophobicContact CE1-CE2 3.8Å; F13-F130 AromaticContact CE1-CZ 3.83Å; F13-F130 HydrophobicContact CE1-CZ 3.83Å; F13-F130 AromaticContact CZ-CE2 3.76Å; F13-F130 HydrophobicContact CZ-CE2 3.76Å; F13-F130 HydrophobicContact CZ-CZ 4.08Å; I24-F130 HydrophobicContact CD1-CE1 4.26Å; I24-F130 HydrophobicContact CD1-CZ 4.35Å; I24-F130 HydrophobicContact CG1-CE1 4.42Å; I24-F130 HydrophobicContact CG1-CE2 4.44Å; I24-F130 HydrophobicContact CG1-CZ 4.3Å; R89-F130 CarbonylContact O-C 3.56Å; R89-F130 VanDerWaalsContact O-CA 3.25Å; R89-F130 WeakPolarHBondContact O-CA 3.18Å; R89-F130 VanDerWaalsContact O-CB 3.25Å; R89-F130 WeakPolarHBondContact O-CB 3.3Å; R89-F130 WeakPolarHBondContact O-CD1 3.16Å; L91-F130 HydrophobicContact CD1-CB 3.63Å; L91-F130 HydrophobicContact CD1-CD1 3.8Å; L91-F130 HydrophobicContact CD1-CG 3.82Å; L91-F130 HydrophobicContact CD2-CD1 4.23Å; L91-F130 HydrophobicContact CG-CB 4.17Å; L91-F130 HydrophobicContact CG-CD1 3.94Å; L91-F130 HydrophobicContact CG-CG 4.37Å; C109-F130 HydrophobicContact CB-CD2 4.17Å; C109-F130 HydrophobicContact CB-CE2 4.02Å; S110-F130 PolarHBondContact O-N 2.71Å; V111-F130 WeakPolarHBondContact CA-O 3.41Å; V111-F130 HydrophobicContact CG1-CB 4.23Å; V111-F130 HydrophobicContact CG2-CB 4.19Å; A112-F130 PolarHBondContact N-O 3Å; Y123-F130 WeakPolarHBondContact CE1-O 3.5Å; F130-Y411 AromaticContact CE1-CD1 3.68Å; F130-Y411 HydrophobicContact CE1-CD1 3.68Å; F130-Y411 HydrophobicContact CE1-CE1 4.01Å; F130-Y411 HydrophobicContact CE2-CE1 4.22Å; F130-Y411 AromaticContact CZ-CD1 3.64Å; F130-Y411 HydrophobicContact CZ-CD1 3.64Å; F130-Y411 AromaticContact CZ-CE1 3.67Å; F130-Y411 HydrophobicContact CZ-CE1 3.67Å
131F93.6Very high90.7Very high13 Ų1354.7 Ų54.76%0.05728%0.278CS..EExtended strand (participates in β ladder)trans-133161.1173.264.1-88000111.9L86 R89 E90 L91 A112 L114 V120 Y123L86-F131 HydrophobicContact CD2-CE1 4.19Å; R89-F131 HydrophobicContact CB-CD1 4.33Å; R89-F131 HydrophobicContact CB-CE1 4.15Å; R89-F131 PolarHBondContact O-N 3.19Å; E90-F131 CarbonylContact C-O 3.59Å; E90-F131 WeakPolarHBondContact CA-O 3.28Å; E90-F131 HydrophobicContact CB-CE1 4.34Å; E90-F131 HydrophobicContact CB-CE2 3.8Å; E90-F131 HydrophobicContact CB-CZ 3.69Å; E90-F131 HydrophobicContact CG-CD2 4.47Å; E90-F131 HydrophobicContact CG-CE2 3.81Å; E90-F131 HydrophobicContact CG-CZ 4.2Å; L91-F131 PolarHBondContact N-O 2.88Å; A112-F131 CarbonylContact O-C 3.49Å; A112-F131 VanDerWaalsContact O-CA 3.27Å; A112-F131 WeakPolarHBondContact O-CA 3.46Å; L114-F131 HydrophobicContact CB-CB 4.35Å; L114-F131 HydrophobicContact CB-CD2 4.08Å; L114-F131 HydrophobicContact CD2-CD2 3.96Å; L114-F131 HydrophobicContact CD2-CE2 4.07Å; V120-F131 HydrophobicContact CG1-CE1 4.26Å; V120-F131 HydrophobicContact CG1-CZ 4.27Å; Y123-F131 HydrophobicContact CD1-CB 3.82Å; Y123-F131 AromaticContact CD1-CD1 4Å; Y123-F131 HydrophobicContact CD1-CD1 4Å; Y123-F131 HydrophobicContact CD1-CG 4.39Å; Y123-F131 HydrophobicContact CE1-CB 3.59Å; Y123-F131 HydrophobicContact CG-CB 4.44Å; Y123-F131 HydrophobicContact CG-CD1 4Å
132Y92.4Very high91Very high25 Ų2554.5 Ų54.510%0.09828%0.279CS..EExtended strand (participates in β ladder)trans-135.4151.8163.976.4-80.6000110.3F45 L91 L93 V111 A112 L113 L114F45-Y132 AromaticContact CE1-CD1 3.99Å; F45-Y132 HydrophobicContact CE1-CD1 3.99Å; F45-Y132 HydrophobicContact CE1-CE1 4.43Å; F45-Y132 HydrophobicContact CE1-CG 4.36Å; L91-Y132 VanDerWaalsContact O-CA 3.3Å; L91-Y132 WeakPolarHBondContact O-CA 2.91Å; L91-Y132 WeakPolarHBondContact O-CB 3.46Å; L93-Y132 HydrophobicContact CB-CD2 3.57Å; L93-Y132 HydrophobicContact CB-CE2 3.74Å; L93-Y132 HydrophobicContact CB-CG 4.06Å; L93-Y132 HydrophobicContact CD2-CD2 4.3Å; L93-Y132 HydrophobicContact CD2-CE2 3.56Å; L93-Y132 HydrophobicContact CG-CE2 4.29Å; V111-Y132 HydrophobicContact CG1-CD1 4.15Å; A112-Y132 VanDerWaalsContact O-CD1 3.26Å; A112-Y132 WeakPolarHBondContact O-CD1 3.28Å; A112-Y132 PolarHBondContact O-N 2.9Å; L113-Y132 CarbonylContact C-O 3.55Å; L113-Y132 WeakPolarHBondContact CA-O 3.47Å; L113-Y132 HydrophobicContact CB-CE1 4.01Å; L113-Y132 HydrophobicContact CD1-CD2 4.07Å; L113-Y132 HydrophobicContact CD1-CE1 4.41Å; L113-Y132 HydrophobicContact CD1-CE2 3.55Å; L114-Y132 PolarHBondContact N-O 2.71Å
133S89.2Confident91.2Very high22 Ų2253.7 Ų53.715%0.15427%0.271CS..EExtended strand (participates in β ladder)trans-127.6-19.4173.853.50000112.7
134L91.1Very high91.2Very high6 Ų658.5 Ų58.53%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-125.1146.2-175.4-61.7-179.8000111.4A59 F92 L93 L143 L144 A145A59-L134 HydrophobicContact CB-CD1 3.87Å; F92-L134 HydrophobicContact CD1-CB 4.03Å; F92-L134 HydrophobicContact CE1-CB 4.3Å; F92-L134 HydrophobicContact CE1-CD1 4.27Å; L93-L134 PolarHBondContact N-O 3.06Å; L134-L143 HydrophobicContact CB-CD2 4.33Å; L134-L143 HydrophobicContact CD1-CB 4.46Å; L134-L143 HydrophobicContact CD1-CD1 4.04Å; L134-L144 CarbonylContact C-O 3.55Å; L134-L144 WeakPolarHBondContact CA-O 3.31Å; L134-A145 HydrophobicContact CD2-CB 4.23Å
135V93.3Very high90.7Very high12 Ų1259.4 Ų59.47%0.07331%0.309CS..EExtended strand (participates in β ladder)trans-95.1131.6172-177.60000109.4L93 R95 L143 L144 D146L93-V135 HydrophobicContact CD2-CG2 4.46Å; L93-V135 CarbonylContact O-C 3.58Å; L93-V135 VanDerWaalsContact O-CA 3.26Å; L93-V135 WeakPolarHBondContact O-CA 3.3Å; L93-V135 WeakPolarHBondContact O-CG1 3.5Å; R95-V135 HydrophobicContact CG-CG1 4.27Å; V135-L143 WeakPolarHBondContact O-CA 3.36Å; V135-L144 PolarHBondContact N-O 2.75Å; V135-L144 PolarHBondContact O-N 3.28Å; V135-D146 HydrophobicContact CG2-CB 3.81Å; V135-D146 VanDerWaalsContact CG2-CG 3.45Å; V135-D146 VanDerWaalsContact CG2-OD1 3.24Å; V135-D146 WeakPolarHBondContact CG2-OD1 3.4Å
136Y94.9Very high89.7Confident15 Ų1555.7 Ų55.76%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-107.6123176.2174.5-122.4000111.6Y46 I51 L55 L93 S94 P138 T142 L143Y46-Y136 HydrophobicContact CD1-CD1 4.19Å; Y46-Y136 AromaticContact CD1-CE1 3.91Å; Y46-Y136 HydrophobicContact CD1-CE1 3.91Å; Y46-Y136 AromaticContact CD2-CD1 3.79Å; Y46-Y136 HydrophobicContact CD2-CD1 3.79Å; Y46-Y136 HydrophobicContact CD2-CE1 4.27Å; Y46-Y136 HydrophobicContact CE1-CE1 4.08Å; Y46-Y136 HydrophobicContact CE2-CD1 4.17Å; Y46-Y136 HydrophobicContact CE2-CE1 4.43Å; Y46-Y136 AromaticContact CG-CD1 3.82Å; Y46-Y136 HydrophobicContact CG-CD1 3.82Å; Y46-Y136 HydrophobicContact CG-CE1 4.04Å; I51-Y136 HydrophobicContact CB-CE2 4.39Å; I51-Y136 HydrophobicContact CG2-CD1 3.75Å; I51-Y136 HydrophobicContact CG2-CD2 4.03Å; I51-Y136 HydrophobicContact CG2-CE1 3.58Å; I51-Y136 HydrophobicContact CG2-CE2 3.89Å; I51-Y136 HydrophobicContact CG2-CG 3.97Å; L55-Y136 HydrophobicContact CD1-CD2 4.11Å; L55-Y136 HydrophobicContact CD1-CE2 3.61Å; L93-Y136 PolarHBondContact O-N 3.3Å; S94-Y136 WeakPolarHBondContact CA-O 3.36Å; S94-Y136 WeakPolarHBondContact CB-O 3.4Å; S94-Y136 PolarHBondContact OG-O 3.19Å; Y136-P138 HydrophobicContact CD1-CB 4.31Å; Y136-P138 HydrophobicContact CE1-CB 3.7Å; Y136-P138 VanDerWaalsContact O-CD 3.26Å; Y136-P138 WeakPolarHBondContact O-CD 3.44Å; Y136-T142 WeakPolarHBondContact CD2-O 3.46Å; Y136-L143 HydrophobicContact CD2-CD2 4.08Å; Y136-L143 HydrophobicContact CG-CD2 4.38Å
137D92.6Very high88.6Confident45 Ų4554 Ų5424%0.24128%0.282CS..EExtended strand (participates in β ladder)trans-91.2107.7166.6-174.4-30.7000109.3T139 Q140 K141 T142D137-T139 PolarHBondContact O-N 3.49Å; D137-T139 VanDerWaalsContact OD1-CA 3.31Å; D137-T139 WeakPolarHBondContact OD1-CA 3.47Å; D137-T139 VanDerWaalsContact OD1-CB 3.26Å; D137-T139 WeakPolarHBondContact OD1-CB 3.36Å; D137-T139 PolarHBondContact OD1-N 3.08Å; D137-Q140 HydrophobicContact CB-CB 4.14Å; D137-Q140 PolarHBondContact OD1-N 3.36Å; D137-Q140 VanDerWaalsContact OD2-CD 3.29Å; D137-Q140 VanDerWaalsContact OD2-CG 3.25Å; D137-Q140 WeakPolarHBondContact OD2-CG 3.45Å; D137-Q140 PolarHBondContact OD2-NE2 2.88Å; D137-K141 WeakPolarHBondContact O-CA 3.46Å; D137-K141 PolarHBondContact O-N 2.92Å; D137-T142 PolarHBondContact N-O 3.43Å; D137-T142 VanDerWaalsContact N-O 3.07Å; D137-T142 PolarHBondContact O-N 2.94Å
138P90.7Very high87.3Confident27 Ų2750.4 Ų50.418%0.17529%0.287CS..THydrogen-bonded Turntrans-72.6-15179.528.3-35.1000113.8S94 Q96 Y136S94-P138 WeakPolarHBondContact OG-CD 3.24Å; Q96-P138 HydrophobicContact CB-CG 4.15Å; Y136-P138 HydrophobicContact CD1-CB 4.31Å; Y136-P138 HydrophobicContact CE1-CB 3.7Å; Y136-P138 VanDerWaalsContact O-CD 3.26Å; Y136-P138 WeakPolarHBondContact O-CD 3.44Å
139T90.6Very high86Confident125 Ų12556 Ų5677%0.76731%0.313SS*.THydrogen-bonded Turntrans-85.7-48.7178.1-56.40000110.7D137D137-T139 PolarHBondContact O-N 3.49Å; D137-T139 VanDerWaalsContact OD1-CA 3.31Å; D137-T139 WeakPolarHBondContact OD1-CA 3.47Å; D137-T139 VanDerWaalsContact OD1-CB 3.26Å; D137-T139 WeakPolarHBondContact OD1-CB 3.36Å; D137-T139 PolarHBondContact OD1-N 3.08Å
140Q90.1Very high85.4Confident139 Ų13963 Ų6365%0.6535%0.347SS*.THydrogen-bonded Turntrans-80.8-24.2176.8-63.7-176.845.200113.1D137 T142D137-Q140 HydrophobicContact CB-CB 4.14Å; D137-Q140 PolarHBondContact OD1-N 3.36Å; D137-Q140 VanDerWaalsContact OD2-CD 3.29Å; D137-Q140 VanDerWaalsContact OD2-CG 3.25Å; D137-Q140 WeakPolarHBondContact OD2-CG 3.45Å; D137-Q140 PolarHBondContact OD2-NE2 2.88Å; Q140-T142 HydrophobicContact CB-CG2 4.11Å
141K92.2Very high84.6Confident133 Ų13369.8 Ų69.858%0.57837%0.373SS*.THydrogen-bonded Turntrans59.450.8-170.9-54.7-174.9-179.8-172.30112.3L55 D137L55-K141 HydrophobicContact CD1-CB 4.5Å; D137-K141 WeakPolarHBondContact O-CA 3.46Å; D137-K141 PolarHBondContact O-N 2.92Å
142T91.3Very high84.2Confident47 Ų4774.8 Ų74.829%0.28840%0.404SS..EExtended strand (participates in β ladder)trans-118.3152.3177.549.10000110.4Y136 D137 Q140Y136-T142 WeakPolarHBondContact CD2-O 3.46Å; D137-T142 PolarHBondContact N-O 3.43Å; D137-T142 VanDerWaalsContact N-O 3.07Å; D137-T142 PolarHBondContact O-N 2.94Å; Q140-T142 HydrophobicContact CB-CG2 4.11Å
143L90.5Very high83.8Confident17 Ų1774.5 Ų74.59%0.08941%0.409CS..EExtended strand (participates in β ladder)trans-108.7140.9164.1-71.6175.6000108.6I51 L55 L58 A59 F92 L134 V135 Y136I51-L143 HydrophobicContact CD1-CD1 4.39Å; L55-L143 HydrophobicContact CB-CD1 3.82Å; L55-L143 HydrophobicContact CB-CG 4.14Å; L55-L143 HydrophobicContact CD2-CG 4.27Å; L55-L143 WeakPolarHBondContact O-CD1 3.28Å; L58-L143 HydrophobicContact CD2-CB 4.39Å; A59-L143 HydrophobicContact CB-CD1 3.99Å; F92-L143 HydrophobicContact CD1-CD1 4.5Å; F92-L143 HydrophobicContact CD1-CD2 3.59Å; F92-L143 HydrophobicContact CE1-CD1 4.21Å; F92-L143 HydrophobicContact CE1-CD2 4.12Å; F92-L143 HydrophobicContact CG-CD2 4.27Å; L134-L143 HydrophobicContact CB-CD2 4.33Å; L134-L143 HydrophobicContact CD1-CB 4.46Å; L134-L143 HydrophobicContact CD1-CD1 4.04Å; V135-L143 WeakPolarHBondContact O-CA 3.36Å; Y136-L143 HydrophobicContact CD2-CD2 4.08Å; Y136-L143 HydrophobicContact CG-CD2 4.38Å
144L86.3Confident83.7Confident112 Ų11279.5 Ų79.559%0.58644%0.441SS*.EExtended strand (participates in β ladder)trans-131144.2174.6-61.9173.6000108.7L134 V135L134-L144 CarbonylContact C-O 3.55Å; L134-L144 WeakPolarHBondContact CA-O 3.31Å; V135-L144 PolarHBondContact N-O 2.75Å; V135-L144 PolarHBondContact O-N 3.28Å
145A77.9Confident83.6Confident45 Ų4589.4 Ų89.437%0.37248%0.478SS..EExtended strand (participates in β ladder)trans-66.1140.416500000109.6L134 K147L134-A145 HydrophobicContact CD2-CB 4.23Å; A145-K147 HydrophobicContact CB-CB 4.5Å; A145-K147 PolarHBondContact O-N 3.27Å
146D65.6Low83.3Confident56 Ų5693.5 Ų93.530%0.29950%0.495SS..SBendtrans-82.320.3172.2-142.122.2000111.4R95 L113 V135R95-D146 IonicContact NH2-OD1 3.88Å; R95-D146 PolarHBondContact NH2-OD1 2.84Å; L113-D146 HydrophobicContact CD1-CB 4.4Å; V135-D146 HydrophobicContact CG2-CB 3.81Å; V135-D146 VanDerWaalsContact CG2-CG 3.45Å; V135-D146 VanDerWaalsContact CG2-OD1 3.24Å; V135-D146 WeakPolarHBondContact CG2-OD1 3.4Å
147K65.8Low83.3Confident90 Ų9097.6 Ų97.639%0.39152%0.515SS..SBendtrans-115.3145-178.2-61.6-172.4-174.2-176.90111.1E116 A145E116-K147 WeakPolarHBondContact OE1-CE 3.31Å; E116-K147 IonicContact OE1-NZ 3.55Å; E116-K147 PolarHBondContact OE1-NZ 3.46Å; A145-K147 HydrophobicContact CB-CB 4.5Å; A145-K147 PolarHBondContact O-N 3.27Å
148G61.7Low83.4Confident84 Ų8499.7 Ų99.787%0.86654%0.538SS*.  trans-83.1145.7161.700000111
149E66.7Low83.6Confident149 Ų149105.7 Ų105.770%0.69657%0.569SS**  trans-113131.1-178.4-176.2-156162.900109.3R151E149-R151 IonicContact OE2-NE 2.81Å
150I80.6Confident83.9Confident160 Ų160106.2 Ų106.282%0.82157%0.571SS**  trans-82.3129.4171.6-172.8170.2000109.8
151R80Confident84.1Confident143 Ų143105 Ų10554%0.5458%0.576SS.*  trans-105137.6-175.5-64.9-175175.4164.71.3112E149 F156E149-R151 IonicContact OE2-NE 2.81Å; R151-F156 HydrophobicContact CB-CB 4.31Å; R151-F156 HydrophobicContact CB-CD1 4.09Å; R151-F156 HydrophobicContact CB-CD2 3.68Å; R151-F156 HydrophobicContact CB-CE1 4.34Å; R151-F156 HydrophobicContact CB-CE2 3.94Å; R151-F156 HydrophobicContact CB-CG 3.76Å; R151-F156 HydrophobicContact CB-CZ 4.26Å
152V85.3Confident84.1Confident118 Ų118107.7 Ų107.772%0.71559%0.59SS**  trans-121138.1178.7-1770000109.6
153G83.6Confident84.2Confident20 Ų20114.2 Ų114.221%0.20662%0.62CS.*SBendtrans139160.9176.900000112.5R155 F156 Q157G153-R155 PolarHBondContact O-N 2.98Å; G153-F156 PolarHBondContact O-N 3.4Å; G153-Q157 VanDerWaalsContact C-OE1 3.29Å; G153-Q157 PolarHBondContact O-N 2.99Å; G153-Q157 PolarHBondContact O-OE1 3.26Å; G153-Q157 VanDerWaalsContact O-OE1 3.04Å
154P88Confident84.5Confident126 Ų126117.5 Ų117.582%0.81864%0.637SS**THydrogen-bonded Turntrans-63.812-174.2-24.135.3000117.5
155R86.9Confident84.8Confident215 Ų215119.5 Ų119.581%0.81164%0.643SS**THydrogen-bonded Turntrans-110.95.1171.1-58.8-179.3-63163.61.6112.2G153G153-R155 PolarHBondContact O-N 2.98Å
156F88.6Confident85.4Confident98 Ų98127.3 Ų127.343%0.4367%0.672SS.*THydrogen-bonded Turntrans-139.3-36.6-171.2-53.3-60.4000112.3R151 G153R151-F156 HydrophobicContact CB-CB 4.31Å; R151-F156 HydrophobicContact CB-CD1 4.09Å; R151-F156 HydrophobicContact CB-CD2 3.68Å; R151-F156 HydrophobicContact CB-CE1 4.34Å; R151-F156 HydrophobicContact CB-CE2 3.94Å; R151-F156 HydrophobicContact CB-CG 3.76Å; R151-F156 HydrophobicContact CB-CZ 4.26Å; G153-F156 PolarHBondContact O-N 3.4Å
157Q93.5Very high86.6Confident101 Ų101128.8 Ų128.847%0.47270%0.701SS.*SBendtrans-68.5148.3159.5-8271.951.400110G153G153-Q157 VanDerWaalsContact C-OE1 3.29Å; G153-Q157 PolarHBondContact O-N 2.99Å; G153-Q157 PolarHBondContact O-OE1 3.26Å; G153-Q157 VanDerWaalsContact O-OE1 3.04Å
158A95.9Very high87.9Confident88 Ų88129.5 Ų129.573%0.72771%0.705SS**PPolyproline II helixtrans-84.4147.8159.600000109.2
159D95.3Very high89.2Confident154 Ų154128.7 Ų128.782%0.82469%0.691SS**PPolyproline II helixtrans-66.3131.9166.7-59-54.2000108.7P161D159-P161 WeakPolarHBondContact O-CD 3.42Å
160V95.4Very high90.3Very high135 Ų135125.4 Ų125.482%0.81868%0.678SS**PPolyproline II helixtrans-84.7121.2-178.1-1790000108.1
161P94.4Very high90.9Very high115 Ų115125.2 Ų125.275%0.74768%0.679SS**PPolyproline II helixtrans-58.6143.2175-23.634.5000111.3D159D159-P161 WeakPolarHBondContact O-CD 3.42Å
162E93.1Very high91.6Very high189 Ų189126.1 Ų126.188%0.88368%0.682SS**PPolyproline II helixtrans-66151.6173.9-63.3-170.817800110.7L164E162-L164 PolarHBondContact O-N 3.16Å
163M93.9Very high92Very high184 Ų184123.7 Ų123.791%0.90667%0.665SS**PPolyproline II helixtrans-81119.5179.3-179.9169.8172.700109.5
164L95.5Very high92.6Very high86 Ų86129 Ų12945%0.4569%0.685SS.*PPolyproline II helixtrans-54.1144.9174.5-61.1174.3000111.3E162 E168 D170E162-L164 PolarHBondContact O-N 3.16Å; L164-E168 WeakPolarHBondContact CA-OE2 3.44Å; L164-E168 HydrophobicContact CB-CB 4.33Å; L164-E168 HydrophobicContact CB-CG 4.5Å; L164-E168 HydrophobicContact CD2-CG 4.1Å; L164-D170 HydrophobicContact CD1-CB 3.64Å
165Q93.9Very high92.9Very high153 Ų153127.6 Ų127.672%0.71568%0.678SS**PPolyproline II helixtrans-76.9160.8-179.2-57.5-173.83200111.7G167 E168Q165-G167 PolarHBondContact O-N 2.75Å; Q165-E168 HydrophobicContact CB-CB 4.27Å; Q165-E168 PolarHBondContact N-OE2 2.72Å; Q165-E168 WeakPolarHBondContact O-CB 3.15Å; Q165-E168 PolarHBondContact O-N 3.07Å
166E89.6Confident93.3Very high209 Ų209125.3 Ų125.398%0.97767%0.674SS**THydrogen-bonded Turntrans-64.3111.9179-66.7-173.7169.800110.8
167G89.9Confident93.7Very high88 Ų88126 Ų12691%0.90768%0.681SS**THydrogen-bonded Turntrans96.6-3-175.700000115Q165Q165-G167 PolarHBondContact O-N 2.75Å
168E93.4Very high93.8Very high104 Ų104128.1 Ų128.149%0.48669%0.691SS.*  trans-76.7135170.3-169.8172.3-155.300110.3L164 Q165L164-E168 WeakPolarHBondContact CA-OE2 3.44Å; L164-E168 HydrophobicContact CB-CB 4.33Å; L164-E168 HydrophobicContact CB-CG 4.5Å; L164-E168 HydrophobicContact CD2-CG 4.1Å; Q165-E168 HydrophobicContact CB-CB 4.27Å; Q165-E168 PolarHBondContact N-OE2 2.72Å; Q165-E168 WeakPolarHBondContact O-CB 3.15Å; Q165-E168 PolarHBondContact O-N 3.07Å
169A88.9Confident93.8Very high68 Ų68131.5 Ų131.556%0.56269%0.692SS**  trans-87.2155.7175.800000110.8
170D91.1Very high93.8Very high80 Ų80130 Ų13043%0.42868%0.678SS.*  trans-92.65.6178.669.60.3000114L164 R172L164-D170 HydrophobicContact CD1-CB 3.64Å; D170-R172 WeakPolarHBondContact O-CG 3.36Å; D170-R172 PolarHBondContact O-N 3.13Å; D170-R172 PolarHBondContact OD1-N 3.14Å; D170-R172 IonicContact OD1-NE 2.7Å; D170-R172 IonicContact OD2-CZ 2.95Å; D170-R172 IonicContact OD2-NE 3.76Å; D170-R172 PolarHBondContact OD2-NE 3.38Å; D170-R172 IonicContact OD2-NH2 2.71Å; D170-R172 PolarHBondContact OD2-NH2 3.42Å
171D91.7Very high93.8Very high155 Ų155128.3 Ų128.383%0.82966%0.664SS**  trans50.119.6-177.3-71.3-16.1000115.7D173D171-D173 PolarHBondContact O-N 2.91Å
172R94.6Very high94Very high163 Ų163126.4 Ų126.462%0.61564%0.642SS**  trans-85.2101.6-178.8-69.8-169.4-63146.64.1112.4D170 Q174 L177D170-R172 WeakPolarHBondContact O-CG 3.36Å; D170-R172 PolarHBondContact O-N 3.13Å; D170-R172 PolarHBondContact OD1-N 3.14Å; D170-R172 IonicContact OD1-NE 2.7Å; D170-R172 IonicContact OD2-CZ 2.95Å; D170-R172 IonicContact OD2-NE 3.76Å; D170-R172 PolarHBondContact OD2-NE 3.38Å; D170-R172 IonicContact OD2-NH2 2.71Å; D170-R172 PolarHBondContact OD2-NH2 3.42Å; R172-Q174 PolarHBondContact O-N 2.81Å; R172-L177 HydrophobicContact CB-CD1 4.16Å
173D95.2Very high94.1Very high67 Ų67119.3 Ų119.336%0.35861%0.61SS.*  trans-66.499.5168.5-177.4-5000111.6D171 S175 K176D171-D173 PolarHBondContact O-N 2.91Å; D173-S175 PolarHBondContact O-N 2.85Å; D173-S175 WeakPolarHBondContact OD1-CB 3.33Å; D173-S175 PolarHBondContact OD1-N 3.25Å; D173-S175 PolarHBondContact OD1-OG 3.36Å; D173-S175 PolarHBondContact OD2-OG 3.48Å; D173-K176 PolarHBondContact O-N 2.66Å; D173-K176 VanDerWaalsContact O-N 3.17Å; D173-K176 IonicContact OD2-NZ 3.23Å; D173-K176 PolarHBondContact OD2-NZ 2.98Å
174Q95.3Very high94.2Very high131 Ų131115.5 Ų115.561%0.61260%0.599SS**G310 helixtrans-59.5-30179.7-64.3179.910.300112.9R172 K176 L177 E178R172-Q174 PolarHBondContact O-N 2.81Å; Q174-K176 PolarHBondContact O-N 2.82Å; Q174-K176 VanDerWaalsContact O-N 3.13Å; Q174-L177 PolarHBondContact O-N 3.04Å; Q174-E178 PolarHBondContact O-N 3.01Å
175S94.4Very high94.2Very high96 Ų96119.6 Ų119.667%0.67162%0.616SS**G310 helixtrans-67.5-14.5-18074.40000113.9D173D173-S175 PolarHBondContact O-N 2.85Å; D173-S175 WeakPolarHBondContact OD1-CB 3.33Å; D173-S175 PolarHBondContact OD1-N 3.25Å; D173-S175 PolarHBondContact OD1-OG 3.36Å; D173-S175 PolarHBondContact OD2-OG 3.48Å
176K95.9Very high94.2Very high168 Ų168113.4 Ų113.473%0.7359%0.589SS**G310 helixtrans-98.2-4.8172-63-172.4179.479.60113.5D173 Q174D173-K176 PolarHBondContact O-N 2.66Å; D173-K176 VanDerWaalsContact O-N 3.17Å; D173-K176 IonicContact OD2-NZ 3.23Å; D173-K176 PolarHBondContact OD2-NZ 2.98Å; Q174-K176 PolarHBondContact O-N 2.82Å; Q174-K176 VanDerWaalsContact O-N 3.13Å
177L96.6Very high94.5Very high112 Ų112108.5 Ų108.559%0.58658%0.575SS**THydrogen-bonded Turntrans-111.1-36.4-174.8-62.9175.2000112.3R172 Q174R172-L177 HydrophobicContact CB-CD1 4.16Å; Q174-L177 PolarHBondContact O-N 3.04Å
178E96.3Very high94.9Very high145 Ų145105.2 Ų105.268%0.67854%0.537SS*.  trans-148.1151.5-176.455.6-174.4-117.300112.9Q174Q174-E178 PolarHBondContact O-N 3.01Å
179E95.4Very high95.1Very high159 Ų159104 Ų10474%0.74354%0.537SS*.  trans-122.2131.7171.3-179.2177.2-167.100107.6L181E179-L181 HydrophobicContact CG-CD2 4.19Å; E179-L181 PolarHBondContact O-N 2.93Å
180K95.2Very high95.5Very high122 Ų122107 Ų10753%0.5354%0.543SS..  trans-73.5125.2174-173.5-178.2-74.8-177.70108.5W182 D183 H242K180-W182 WeakPolarHBondContact CG-O 3.44Å; K180-D183 HydrophobicContact CD-CB 4.11Å; K180-D183 IonicContact NZ-OD2 2.7Å; K180-D183 PolarHBondContact NZ-OD2 2.88Å; K180-H242 PolarHBondContact O-CD2 3.16Å; K180-H242 PolarHBondContact O-NE2 3.29Å; K180-H242 VanDerWaalsContact O-NE2 3.09Å
181L95.9Very high95.8Very high101 Ų101110.8 Ų110.853%0.52956%0.556SS.*  trans-111.8-11.6176.9-60.1179000113E179 H242E179-L181 HydrophobicContact CG-CD2 4.19Å; E179-L181 PolarHBondContact O-N 2.93Å; L181-H242 VanDerWaalsContact C-CD2 3.43Å; L181-H242 WeakPolarHBondContact O-CB 3.38Å; L181-H242 PolarHBondContact O-CD2 3.16Å
182W97.3Very high96.1Very high75 Ų75106.3 Ų106.328%0.28453%0.53SS..  trans-157150.6172.7-174.9-94.1000109.5K180 I193 M238 L241 Y246K180-W182 WeakPolarHBondContact CG-O 3.44Å; W182-I193 HydrophobicContact CH2-CD1 4.08Å; W182-I193 HydrophobicContact CH2-CG1 4.38Å; W182-I193 HydrophobicContact CH2-CG2 4.38Å; W182-I193 HydrophobicContact CZ2-CD1 3.92Å; W182-M238 HydrophobicContact CD2-CE 3.95Å; W182-M238 HydrophobicContact CE3-CB 4Å; W182-M238 HydrophobicContact CE3-CE 3.75Å; W182-M238 HydrophobicContact CE3-SD 4.44Å; W182-M238 HydrophobicContact CH2-CE 3.37Å; W182-M238 HydrophobicContact CH2-SD 3.86Å; W182-M238 HydrophobicContact CZ2-CE 3.6Å; W182-M238 HydrophobicContact CZ3-CB 3.94Å; W182-M238 HydrophobicContact CZ3-CE 3.45Å; W182-M238 VanDerWaalsContact CZ3-CE 3.45Å; W182-M238 HydrophobicContact CZ3-CG 4.44Å; W182-M238 WeakPolarHBondContact CZ3-O 3.39Å; W182-M238 HydrophobicContact CZ3-SD 3.75Å; W182-L241 HydrophobicContact CH2-CD1 4.26Å; W182-L241 HydrophobicContact CZ3-CB 4.09Å; W182-L241 HydrophobicContact CZ3-CD1 4.28Å; W182-Y246 HydrophobicContact CD2-CE1 4.47Å; W182-Y246 HydrophobicContact CE3-CE1 4.05Å; W182-Y246 HydrophobicContact CH2-CD1 4.41Å; W182-Y246 AromaticContact CH2-CE1 3.75Å; W182-Y246 HydrophobicContact CH2-CE1 3.75Å; W182-Y246 HydrophobicContact CZ2-CE1 4.15Å; W182-Y246 AromaticContact CZ3-CE1 3.69Å; W182-Y246 HydrophobicContact CZ3-CE1 3.69Å
183D96.5Very high96.3Very high40 Ų4099.5 Ų99.521%0.21451%0.505CS..  trans-118118.5174.2-152.7-42.7000109.6K180 E185 C186 Y246K180-D183 HydrophobicContact CD-CB 4.11Å; K180-D183 IonicContact NZ-OD2 2.7Å; K180-D183 PolarHBondContact NZ-OD2 2.88Å; D183-E185 PolarHBondContact O-N 3.27Å; D183-E185 PolarHBondContact OD1-N 2.82Å; D183-C186 WeakPolarHBondContact O-CB 3.24Å; D183-C186 PolarHBondContact O-N 3.24Å; D183-Y246 HydrophobicContact CB-CE2 4.13Å; D183-Y246 WeakPolarHBondContact CB-OH 3.48Å; D183-Y246 PolarHBondContact N-OH 3.02Å
184P95.5Very high96.4Very high103 Ų103101 Ų10167%0.66951%0.514SS*.THydrogen-bonded Turntrans-59.4-32175.8-25.135.7000113.4C186P184-C186 PolarHBondContact O-N 3.27Å
185E94.9Very high96.5Very high173 Ų173100.8 Ų100.881%0.80851%0.513SS*.THydrogen-bonded Turntrans-9133.8-176.9-54.1-59.2140.300111.9D183D183-E185 PolarHBondContact O-N 3.27Å; D183-E185 PolarHBondContact OD1-N 2.82Å
186C94.6Very high96.7Very high23 Ų2396.5 Ų96.516%0.15548%0.482CS..  trans-67.5152.5-178.9790000112.3D183 P184 L188 Y246D183-C186 WeakPolarHBondContact O-CB 3.24Å; D183-C186 PolarHBondContact O-N 3.24Å; P184-C186 PolarHBondContact O-N 3.27Å; C186-L188 PolarHBondContact O-N 2.68Å; C186-L188 VanDerWaalsContact O-N 3.09Å; C186-Y246 HydrophobicContact CB-CD1 3.78Å; C186-Y246 HydrophobicContact CB-CD2 3.82Å; C186-Y246 HydrophobicContact CB-CE1 3.61Å; C186-Y246 HydrophobicContact CB-CE2 3.66Å; C186-Y246 HydrophobicContact CB-CG 3.88Å
187P96.6Very high96.8Very high105 Ų10589.6 Ų89.668%0.68245%0.453SS*.SBendtrans-75.66.1-176.832.8-37.9000114.4Y246P187-Y246 HydrophobicContact CG-CD2 4.48Å; P187-Y246 HydrophobicContact CG-CG 4.43Å
188L97.4Very high96.9Very high20 Ų2088.2 Ų88.211%0.10545%0.449CS..SBendtrans-100.2137.7-178.8-63.3176.8000110.9C186 Q192 I193 L241 Y246 L248C186-L188 PolarHBondContact O-N 2.68Å; C186-L188 VanDerWaalsContact O-N 3.09Å; L188-Q192 HydrophobicContact CB-CB 4.38Å; L188-Q192 HydrophobicContact CD2-CB 4.28Å; L188-I193 HydrophobicContact CB-CD1 4.26Å; L188-I193 HydrophobicContact CB-CG1 3.9Å; L188-I193 HydrophobicContact CD1-CG1 4.32Å; L188-L241 HydrophobicContact CD1-CD1 4.41Å; L188-L241 HydrophobicContact CD1-CD2 4.06Å; L188-Y246 HydrophobicContact CD1-CD1 4.08Å; L188-Y246 HydrophobicContact CD1-CG 4.5Å; L188-L248 HydrophobicContact CD1-CD2 3.9Å; L188-L248 HydrophobicContact CD1-CG 4.41Å; L188-L248 HydrophobicContact CD2-CD1 4Å; L188-L248 HydrophobicContact CD2-CD2 4.18Å; L188-L248 HydrophobicContact CD2-CG 3.87Å
189T97.6Very high97Very high79 Ų7984.2 Ų84.249%0.48543%0.434SS..  trans-73.5152168.163.30000111K191 Q192 I193T189-K191 PolarHBondContact O-N 3.08Å; T189-Q192 WeakPolarHBondContact O-CA 3.22Å; T189-Q192 WeakPolarHBondContact O-CB 3.49Å; T189-Q192 PolarHBondContact O-N 3.11Å; T189-Q192 PolarHBondContact OG1-OE1 3.27Å; T189-I193 PolarHBondContact O-N 3.2Å; T189-I193 VanDerWaalsContact O-N 3.17Å
190D97Very high97.1Very high131 Ų13176.8 Ų76.870%0.70140%0.4SS*.Hα-helixtrans-44.6-40.6174-53.7-23.8000112.5Q192 I193 D194D190-Q192 VanDerWaalsContact C-N 3.35Å; D190-Q192 PolarHBondContact O-N 2.8Å; D190-I193 PolarHBondContact O-N 3.08Å; D190-D194 WeakPolarHBondContact O-CB 3.42Å; D190-D194 PolarHBondContact O-N 3.4Å
191K97.9Very high97.2Very high158 Ų15874.9 Ų74.969%0.68739%0.39SS*.Hα-helixtrans-63.9-34.8179.4-66.9-179.9179.81750113.5T189 Q195T189-K191 PolarHBondContact O-N 3.08Å; K191-Q195 WeakPolarHBondContact O-CB 3.32Å; K191-Q195 WeakPolarHBondContact O-CG 3.11Å; K191-Q195 PolarHBondContact O-N 3.43Å
192Q98Very high97.2Very high62 Ų6272.9 Ų72.929%0.2939%0.388SS..Hα-helixtrans-74.4-37.5175.7-71.3161.7-80.600110.9L188 T189 D190 Q195 F196 L248L188-Q192 HydrophobicContact CB-CB 4.38Å; L188-Q192 HydrophobicContact CD2-CB 4.28Å; T189-Q192 WeakPolarHBondContact O-CA 3.22Å; T189-Q192 WeakPolarHBondContact O-CB 3.49Å; T189-Q192 PolarHBondContact O-N 3.11Å; T189-Q192 PolarHBondContact OG1-OE1 3.27Å; D190-Q192 VanDerWaalsContact C-N 3.35Å; D190-Q192 PolarHBondContact O-N 2.8Å; Q192-Q195 PolarHBondContact O-N 3.27Å; Q192-F196 WeakPolarHBondContact O-CB 3.04Å; Q192-F196 PolarHBondContact O-N 2.9Å; Q192-L248 HydrophobicContact CB-CD1 4.21Å; Q192-L248 HydrophobicContact CG-CD1 4.34Å
193I98Very high97.2Very high19 Ų1970.2 Ų70.210%0.09738%0.379CS..Hα-helixtrans-64.7-51.3175-59.2166.2000109.4W182 L188 T189 D190 Q195 F196 L197 M238 L241W182-I193 HydrophobicContact CH2-CD1 4.08Å; W182-I193 HydrophobicContact CH2-CG1 4.38Å; W182-I193 HydrophobicContact CH2-CG2 4.38Å; W182-I193 HydrophobicContact CZ2-CD1 3.92Å; L188-I193 HydrophobicContact CB-CD1 4.26Å; L188-I193 HydrophobicContact CB-CG1 3.9Å; L188-I193 HydrophobicContact CD1-CG1 4.32Å; T189-I193 PolarHBondContact O-N 3.2Å; T189-I193 VanDerWaalsContact O-N 3.17Å; D190-I193 PolarHBondContact O-N 3.08Å; I193-Q195 VanDerWaalsContact C-N 3.31Å; I193-Q195 PolarHBondContact O-N 3Å; I193-F196 WeakPolarHBondContact O-CB 3.31Å; I193-F196 PolarHBondContact O-N 3.4Å; I193-F196 VanDerWaalsContact O-N 3.08Å; I193-L197 HydrophobicContact CG2-CD1 4.24Å; I193-L197 HydrophobicContact CG2-CG 4.42Å; I193-L197 WeakPolarHBondContact O-CG 3.25Å; I193-L197 PolarHBondContact O-N 3.44Å; I193-M238 HydrophobicContact CG2-CE 4.14Å; I193-M238 HydrophobicContact CG2-SD 3.65Å; I193-L241 HydrophobicContact CG2-CD1 4.4Å
194D97.9Very high97.1Very high99 Ų9968.4 Ų68.453%0.52937%0.37SS..Hα-helixtrans-53.8-44.8174.1-88.7-22.7000112.3D190 L197 V198D190-D194 WeakPolarHBondContact O-CB 3.42Å; D190-D194 PolarHBondContact O-N 3.4Å; D194-L197 PolarHBondContact O-N 2.74Å; D194-V198 WeakPolarHBondContact O-CG2 3.47Å; D194-V198 PolarHBondContact O-N 3.09Å
195Q97.9Very high97Very high127 Ų12764.6 Ų64.659%0.59335%0.345SS*.Hα-helixtrans-62.5-43.7176.2-78.1168.58.100111.8K191 Q192 I193 V198 V199K191-Q195 WeakPolarHBondContact O-CB 3.32Å; K191-Q195 WeakPolarHBondContact O-CG 3.11Å; K191-Q195 PolarHBondContact O-N 3.43Å; Q192-Q195 PolarHBondContact O-N 3.27Å; I193-Q195 VanDerWaalsContact C-N 3.31Å; I193-Q195 PolarHBondContact O-N 3Å; Q195-V198 PolarHBondContact O-N 3.36Å; Q195-V199 WeakPolarHBondContact O-CG2 3.23Å; Q195-V199 PolarHBondContact O-N 3.48Å
196F98.3Very high96.9Very high5 Ų562.1 Ų62.12%0.02233%0.332CS..Hα-helixtrans-63.4-41.2175.2-169.4-92.9000111.8Q192 I193 V198 V199 A200 A237 T240 L241 L248 A251 L252 L255Q192-F196 WeakPolarHBondContact O-CB 3.04Å; Q192-F196 PolarHBondContact O-N 2.9Å; I193-F196 WeakPolarHBondContact O-CB 3.31Å; I193-F196 PolarHBondContact O-N 3.4Å; I193-F196 VanDerWaalsContact O-N 3.08Å; F196-V198 VanDerWaalsContact C-N 3.31Å; F196-V198 PolarHBondContact O-N 3.26Å; F196-V199 PolarHBondContact O-N 3.28Å; F196-A200 WeakPolarHBondContact O-CB 3.32Å; F196-A200 PolarHBondContact O-N 3.07Å; F196-A237 HydrophobicContact CD1-CB 4.14Å; F196-A237 HydrophobicContact CE1-CB 3.92Å; F196-A237 WeakPolarHBondContact CE1-O 3.15Å; F196-T240 HydrophobicContact CZ-CG2 4.39Å; F196-L241 HydrophobicContact CB-CD1 4.3Å; F196-L241 HydrophobicContact CB-CD2 4.45Å; F196-L241 HydrophobicContact CD1-CD1 3.71Å; F196-L241 HydrophobicContact CD1-CD2 3.8Å; F196-L241 HydrophobicContact CD1-CG 3.6Å; F196-L241 HydrophobicContact CD2-CD2 3.88Å; F196-L241 HydrophobicContact CE1-CD1 4.29Å; F196-L241 HydrophobicContact CE1-CD2 3.93Å; F196-L241 HydrophobicContact CE1-CG 3.69Å; F196-L241 HydrophobicContact CE2-CD2 4Å; F196-L241 HydrophobicContact CG-CD1 4.11Å; F196-L241 HydrophobicContact CG-CD2 3.78Å; F196-L241 HydrophobicContact CG-CG 4.08Å; F196-L241 HydrophobicContact CZ-CD2 4.03Å; F196-L241 HydrophobicContact CZ-CG 4.24Å; F196-L248 HydrophobicContact CB-CD2 4.25Å; F196-L248 HydrophobicContact CD2-CD2 4.02Å; F196-L248 HydrophobicContact CG-CD2 4.41Å; F196-A251 HydrophobicContact CE2-CB 3.62Å; F196-A251 HydrophobicContact CZ-CB 3.65Å; F196-L252 HydrophobicContact CD2-CD2 3.98Å; F196-L252 HydrophobicContact CD2-CG 4.15Å; F196-L252 HydrophobicContact CE2-CD2 3.81Å; F196-L252 HydrophobicContact CE2-CG 3.87Å; F196-L255 HydrophobicContact CE1-CD1 3.99Å; F196-L255 HydrophobicContact CE2-CD1 3.96Å; F196-L255 HydrophobicContact CZ-CD1 3.52Å; F196-L255 HydrophobicContact CZ-CG 4.04Å
197L98.3Very high96.8Very high24 Ų2461.3 Ų61.313%0.12633%0.327CS..Hα-helixtrans-66.4-28.3174.3-65.6-178.3000113.1I193 D194 R201 L234 A237 M238I193-L197 HydrophobicContact CG2-CD1 4.24Å; I193-L197 HydrophobicContact CG2-CG 4.42Å; I193-L197 WeakPolarHBondContact O-CG 3.25Å; I193-L197 PolarHBondContact O-N 3.44Å; D194-L197 PolarHBondContact O-N 2.74Å; L197-R201 VanDerWaalsContact O-CG 3.25Å; L197-R201 WeakPolarHBondContact O-CG 3.41Å; L197-R201 PolarHBondContact O-N 3.29Å; L197-R201 PolarHBondContact O-NE 3.11Å; L197-L234 HydrophobicContact CB-CD2 4.25Å; L197-L234 HydrophobicContact CD2-CD2 4.12Å; L197-A237 HydrophobicContact CD2-CB 3.61Å; L197-M238 HydrophobicContact CD1-SD 4.13Å; L197-M238 HydrophobicContact CD2-CG 4.12Å; L197-M238 HydrophobicContact CD2-SD 4Å; L197-M238 HydrophobicContact CG-SD 4.36Å
198V98.1Very high96.6Very high82 Ų8256.6 Ų56.650%0.49730%0.296SS..Hα-helixtrans-70.4-44.7169168.40000110.7D194 Q195 F196 R201 A202D194-V198 WeakPolarHBondContact O-CG2 3.47Å; D194-V198 PolarHBondContact O-N 3.09Å; Q195-V198 PolarHBondContact O-N 3.36Å; F196-V198 VanDerWaalsContact C-N 3.31Å; F196-V198 PolarHBondContact O-N 3.26Å; V198-R201 PolarHBondContact O-N 2.86Å; V198-A202 PolarHBondContact O-N 3.22Å
199V97.9Very high96.1Very high61 Ų6159.4 Ų59.437%0.3732%0.322SS..Hα-helixtrans-64.5-44.8178.5175.50000111.5Q195 F196 R201 A202 V203 L252Q195-V199 WeakPolarHBondContact O-CG2 3.23Å; Q195-V199 PolarHBondContact O-N 3.48Å; F196-V199 PolarHBondContact O-N 3.28Å; V199-R201 VanDerWaalsContact C-N 3.3Å; V199-R201 PolarHBondContact O-N 3.12Å; V199-A202 WeakPolarHBondContact O-CB 3.44Å; V199-A202 PolarHBondContact O-N 3.25Å; V199-A202 VanDerWaalsContact O-N 3.07Å; V199-V203 HydrophobicContact CG1-CG2 4.21Å; V199-V203 WeakPolarHBondContact O-CG2 3.49Å; V199-V203 PolarHBondContact O-N 2.96Å; V199-L252 HydrophobicContact CB-CD2 4.28Å; V199-L252 HydrophobicContact CG1-CD2 3.6Å
200A98Very high95.6Very high4 Ų460.4 Ų60.43%0.03332%0.323CS..Hα-helixtrans-58.5-40.117700000112.6F196 V203 G204 A237 L255F196-A200 WeakPolarHBondContact O-CB 3.32Å; F196-A200 PolarHBondContact O-N 3.07Å; A200-V203 PolarHBondContact O-N 2.99Å; A200-G204 PolarHBondContact O-N 2.64Å; A200-A237 HydrophobicContact CB-CB 3.59Å; A200-L255 HydrophobicContact CB-CD1 3.95Å; A200-L255 HydrophobicContact CB-CD2 4.48Å
201R97.3Very high94.9Very high82 Ų8256 Ų5631%0.30930%0.3SS..Hα-helixtrans-67.3-38.4173.5-71.6-176.8-75.8164.7-8112.7L197 V198 V199 G204 T205 A228 S229 L234L197-R201 VanDerWaalsContact O-CG 3.25Å; L197-R201 WeakPolarHBondContact O-CG 3.41Å; L197-R201 PolarHBondContact O-N 3.29Å; L197-R201 PolarHBondContact O-NE 3.11Å; V198-R201 PolarHBondContact O-N 2.86Å; V199-R201 VanDerWaalsContact C-N 3.3Å; V199-R201 PolarHBondContact O-N 3.12Å; R201-G204 PolarHBondContact O-N 3.08Å; R201-T205 WeakPolarHBondContact O-CB 3.32Å; R201-T205 PolarHBondContact O-N 3.17Å; R201-T205 PolarHBondContact O-OG1 2.91Å; R201-A228 WeakPolarHBondContact CG-O 3.47Å; R201-S229 WeakPolarHBondContact CD-OG 3.45Å; R201-L234 HydrophobicContact CG-CD2 4.05Å
202A97.1Very high93.4Very high59 Ų5953.5 Ų53.549%0.48830%0.302SS..Hα-helixtrans-64.5-45.4174.900000111.7V198 V199 T205 F206V198-A202 PolarHBondContact O-N 3.22Å; V199-A202 WeakPolarHBondContact O-CB 3.44Å; V199-A202 PolarHBondContact O-N 3.25Å; V199-A202 VanDerWaalsContact O-N 3.07Å; A202-T205 WeakPolarHBondContact O-CB 3.34Å; A202-T205 PolarHBondContact O-N 3.36Å; A202-F206 PolarHBondContact O-N 3.02Å
203V96.6Very high91.9Very high18 Ų1853.7 Ų53.711%0.10931%0.31CS..Hα-helixtrans-58.6-49.8173.7171.50000110.9V199 A200 T205 F206 A207 L255 V256 P261V199-V203 HydrophobicContact CG1-CG2 4.21Å; V199-V203 WeakPolarHBondContact O-CG2 3.49Å; V199-V203 PolarHBondContact O-N 2.96Å; A200-V203 PolarHBondContact O-N 2.99Å; V203-T205 VanDerWaalsContact C-N 3.25Å; V203-T205 PolarHBondContact O-N 3.07Å; V203-F206 PolarHBondContact O-N 3.35Å; V203-F206 VanDerWaalsContact O-N 3.16Å; V203-A207 WeakPolarHBondContact O-CB 3.49Å; V203-A207 PolarHBondContact O-N 3.36Å; V203-L255 HydrophobicContact CG1-CB 4.35Å; V203-L255 WeakPolarHBondContact CG1-O 3.39Å; V203-V256 HydrophobicContact CG1-CG2 3.99Å; V203-V256 HydrophobicContact CG2-CG2 3.84Å; V203-P261 HydrophobicContact CG1-CB 3.64Å
204G94.7Very high90Very high2 Ų252.9 Ų52.92%0.02131%0.305CS..Hα-helixtrans-64.6-25.8177.500000114.1A200 R201 R208 A228A200-G204 PolarHBondContact O-N 2.64Å; R201-G204 PolarHBondContact O-N 3.08Å; G204-R208 WeakPolarHBondContact O-CG 3.48Å; G204-R208 PolarHBondContact O-N 3.19Å; G204-R208 PolarHBondContact O-NH1 2.81Å; G204-A228 VanDerWaalsContact C-CB 3.46Å
205T93.9Very high87.8Confident24 Ų2451.8 Ų51.815%0.14731%0.306CS..Hα-helixtrans-74-44172.6-55.80000110.6R201 A202 V203 R208 A209 L221 A225 A228R201-T205 WeakPolarHBondContact O-CB 3.32Å; R201-T205 PolarHBondContact O-N 3.17Å; R201-T205 PolarHBondContact O-OG1 2.91Å; A202-T205 WeakPolarHBondContact O-CB 3.34Å; A202-T205 PolarHBondContact O-N 3.36Å; V203-T205 VanDerWaalsContact C-N 3.25Å; V203-T205 PolarHBondContact O-N 3.07Å; T205-R208 PolarHBondContact O-N 3.07Å; T205-A209 PolarHBondContact O-N 3.31Å; T205-L221 HydrophobicContact CG2-CD1 4.23Å; T205-A225 HydrophobicContact CG2-CB 4.08Å; T205-A228 WeakPolarHBondContact OG1-CB 3.42Å
206F92.7Very high85.5Confident121 Ų12151.9 Ų51.953%0.53131%0.314SS..Hα-helixtrans-65.6-41.1177.2-178.8-121.1000111.9A202 V203 R208 A209 L210 P261A202-F206 PolarHBondContact O-N 3.02Å; V203-F206 PolarHBondContact O-N 3.35Å; V203-F206 VanDerWaalsContact O-N 3.16Å; F206-R208 VanDerWaalsContact C-N 3.32Å; F206-R208 PolarHBondContact O-N 2.89Å; F206-A209 WeakPolarHBondContact O-CA 3.44Å; F206-A209 WeakPolarHBondContact O-CB 3.33Å; F206-A209 PolarHBondContact O-N 2.79Å; F206-L210 HydrophobicContact CD1-CD1 4.25Å; F206-L210 HydrophobicContact CE1-CD1 3.75Å; F206-L210 HydrophobicContact CE1-CG 4.47Å; F206-L210 HydrophobicContact CE2-CD1 4.45Å; F206-L210 HydrophobicContact CE2-CD2 4.29Å; F206-L210 HydrophobicContact CE2-CG 4.37Å; F206-L210 HydrophobicContact CZ-CD1 3.86Å; F206-L210 HydrophobicContact CZ-CD2 4.24Å; F206-L210 HydrophobicContact CZ-CG 4.25Å; F206-L210 PolarHBondContact O-N 2.81Å; F206-L210 VanDerWaalsContact O-N 3.17Å; F206-P261 HydrophobicContact CD1-CB 4.44Å; F206-P261 HydrophobicContact CD1-CG 3.95Å; F206-P261 HydrophobicContact CE1-CG 4.35Å
207A92.6Very high83.5Confident6 Ų655.9 Ų55.95%0.0533%0.33CS..Hα-helixtrans-57-42.517500000112.6V203 A209 L210 D211 P261 L263V203-A207 WeakPolarHBondContact O-CB 3.49Å; V203-A207 PolarHBondContact O-N 3.36Å; A207-A209 VanDerWaalsContact C-N 3.25Å; A207-A209 PolarHBondContact O-N 2.81Å; A207-L210 PolarHBondContact O-N 3.1Å; A207-D211 PolarHBondContact O-N 3.43Å; A207-P261 HydrophobicContact CB-CB 4.06Å; A207-P261 HydrophobicContact CB-CG 3.81Å; A207-L263 HydrophobicContact CB-CB 4.04Å; A207-L263 HydrophobicContact CB-CD1 4.33Å
208R90.6Very high81.8Confident6 Ų657.2 Ų57.22%0.02334%0.335CS..Hα-helixtrans-66.7-22.1174.8-71.8173176.379.6-5.3113.9G204 T205 F206 S214 L263 C264 E269G204-R208 WeakPolarHBondContact O-CG 3.48Å; G204-R208 PolarHBondContact O-N 3.19Å; G204-R208 PolarHBondContact O-NH1 2.81Å; T205-R208 PolarHBondContact O-N 3.07Å; F206-R208 VanDerWaalsContact C-N 3.32Å; F206-R208 PolarHBondContact O-N 2.89Å; R208-S214 WeakPolarHBondContact O-CB 3.39Å; R208-L263 HydrophobicContact CG-CD1 3.55Å; R208-C264 PolarHBondContact NH2-O 2.67Å; R208-E269 IonicContact CZ-OE1 3.7Å; R208-E269 IonicContact CZ-OE2 3.28Å; R208-E269 VanDerWaalsContact CZ-OE2 3.28Å; R208-E269 VanDerWaalsContact NE-CD 3.34Å; R208-E269 IonicContact NE-OE1 2.93Å; R208-E269 PolarHBondContact NE-OE1 2.71Å; R208-E269 IonicContact NE-OE2 3.02Å; R208-E269 PolarHBondContact NE-OE2 2.73Å; R208-E269 IonicContact NH2-OE1 2.68Å; R208-E269 IonicContact NH2-OE2 3.99Å; R208-E269 PolarHBondContact NH2-OE2 3.05Å
209A87.8Confident80Confident79 Ų7958.7 Ų58.765%0.65335%0.346SS*.Hα-helixtrans-82.1-23.3174.300000112.9T205 F206 A207T205-A209 PolarHBondContact O-N 3.31Å; F206-A209 WeakPolarHBondContact O-CA 3.44Å; F206-A209 WeakPolarHBondContact O-CB 3.33Å; F206-A209 PolarHBondContact O-N 2.79Å; A207-A209 VanDerWaalsContact C-N 3.25Å; A207-A209 PolarHBondContact O-N 2.81Å
210L86.8Confident79.1Confident99 Ų9958.1 Ų58.152%0.51835%0.345SS..Hα-helixtrans-88.5-26.7173.8-60.5-179.6000112.8F206 A207 C212 P261F206-L210 HydrophobicContact CD1-CD1 4.25Å; F206-L210 HydrophobicContact CE1-CD1 3.75Å; F206-L210 HydrophobicContact CE1-CG 4.47Å; F206-L210 HydrophobicContact CE2-CD1 4.45Å; F206-L210 HydrophobicContact CE2-CD2 4.29Å; F206-L210 HydrophobicContact CE2-CG 4.37Å; F206-L210 HydrophobicContact CZ-CD1 3.86Å; F206-L210 HydrophobicContact CZ-CD2 4.24Å; F206-L210 HydrophobicContact CZ-CG 4.25Å; F206-L210 PolarHBondContact O-N 2.81Å; F206-L210 VanDerWaalsContact O-N 3.17Å; A207-L210 PolarHBondContact O-N 3.1Å; L210-C212 PolarHBondContact O-N 3.26Å; L210-P261 HydrophobicContact CD1-CG 4.03Å
211D81.9Confident78.6Confident38 Ų3864.6 Ų64.620%0.20338%0.379CS..  trans-73104.1178.6169.828.9000112.4A207 S213 S214 S215 L263 R265A207-D211 PolarHBondContact O-N 3.43Å; D211-S213 PolarHBondContact O-N 3.46Å; D211-S213 VanDerWaalsContact O-N 3.09Å; D211-S213 WeakPolarHBondContact OD1-CA 3.35Å; D211-S213 VanDerWaalsContact OD1-CB 3.3Å; D211-S213 WeakPolarHBondContact OD1-CB 3.11Å; D211-S213 PolarHBondContact OD1-N 2.86Å; D211-S213 PolarHBondContact OD1-OG 3.09Å; D211-S213 PolarHBondContact OD2-OG 3.43Å; D211-S214 WeakPolarHBondContact O-CB 3.24Å; D211-S214 PolarHBondContact O-N 3.38Å; D211-S214 WeakPolarHBondContact OD2-CB 3.45Å; D211-S214 PolarHBondContact OD2-N 2.93Å; D211-S214 PolarHBondContact OD2-OG 3.35Å; D211-S215 PolarHBondContact O-N 3.13Å; D211-L263 HydrophobicContact CB-CD2 4.03Å; D211-R265 IonicContact OD2-CZ 3.71Å; D211-R265 IonicContact OD2-NH1 2.71Å; D211-R265 PolarHBondContact OD2-NH1 2.87Å; D211-R265 IonicContact OD2-NH2 3.27Å
212C66.5Low78.3Confident107 Ų10768 Ų6872%0.72340%0.397SS*.Hα-helixtrans-54-28.4174.3-65.70000113.8L210 S215L210-C212 PolarHBondContact O-N 3.26Å; C212-S215 PolarHBondContact O-N 2.83Å; C212-S215 PolarHBondContact O-OG 3Å
213S66.9Low77.8Confident66 Ų6668.9 Ų68.946%0.46239%0.392SS..Hα-helixtrans-74.7-27.4177.1780000113.2D211 R265D211-S213 PolarHBondContact O-N 3.46Å; D211-S213 VanDerWaalsContact O-N 3.09Å; D211-S213 WeakPolarHBondContact OD1-CA 3.35Å; D211-S213 VanDerWaalsContact OD1-CB 3.3Å; D211-S213 WeakPolarHBondContact OD1-CB 3.11Å; D211-S213 PolarHBondContact OD1-N 2.86Å; D211-S213 PolarHBondContact OD1-OG 3.09Å; D211-S213 PolarHBondContact OD2-OG 3.43Å; S213-R265 PolarHBondContact OG-NH1 2.69Å
214S57.4Low77.5Confident1 Ų168.6 Ų68.61%0.00739%0.391CS..Hα-helixtrans-69.1-34171.8-69.90000112.7R208 D211 V216 R217 Q218 R265R208-S214 WeakPolarHBondContact O-CB 3.39Å; D211-S214 WeakPolarHBondContact O-CB 3.24Å; D211-S214 PolarHBondContact O-N 3.38Å; D211-S214 WeakPolarHBondContact OD2-CB 3.45Å; D211-S214 PolarHBondContact OD2-N 2.93Å; D211-S214 PolarHBondContact OD2-OG 3.35Å; S214-V216 PolarHBondContact O-N 3.48Å; S214-V216 VanDerWaalsContact O-N 3.1Å; S214-R217 PolarHBondContact O-N 2.99Å; S214-Q218 PolarHBondContact O-N 3.45Å; S214-R265 PolarHBondContact OG-NH2 2.59Å
215S51.9Low77.4Confident77 Ų7770 Ų7054%0.53840%0.403SS..Hα-helixtrans-55.5-32.2-174.573.70000113.9D211 C212D211-S215 PolarHBondContact O-N 3.13Å; C212-S215 PolarHBondContact O-N 2.83Å; C212-S215 PolarHBondContact O-OG 3Å
216V50.3Low77.3Confident128 Ų12871.3 Ų71.378%0.77642%0.416SS*.THydrogen-bonded Turntrans-79.8-18.7179.6-175.30000112.4S214S214-V216 PolarHBondContact O-N 3.48Å; S214-V216 VanDerWaalsContact O-N 3.1Å
217R56.9Low77.3Confident90 Ų9065.8 Ų65.834%0.3439%0.393SS..THydrogen-bonded Turntrans-108.6-37-172.6-61.2-173.4-173.4-179.11.2114.4S214 E269 E270 W271S214-R217 PolarHBondContact O-N 2.99Å; R217-E269 PolarHBondContact NH1-O 3.21Å; R217-E270 PolarHBondContact NH1-O 3.19Å; R217-E270 PolarHBondContact NH2-O 3.47Å; R217-W271 PolarHBondContact NH1-O 3.37Å
218Q62.1Low77.4Confident52 Ų5265.5 Ų65.524%0.24339%0.391CS..  trans-131.474.7-172.1-59.5-68.3-82.800110.7S214 S220 M223S214-Q218 PolarHBondContact O-N 3.45Å; Q218-S220 PolarHBondContact O-N 2.79Å; Q218-S220 VanDerWaalsContact O-N 3.11Å; Q218-M223 HydrophobicContact CB-CB 4.44Å
219P59.5Low77.6Confident113 Ų11367.6 Ų67.673%0.73441%0.406SS*.  trans-79.511.2-168.333.5-38.5000115.2
220S80.4Confident78Confident49 Ų4966.9 Ų66.934%0.34339%0.387SS..SBendtrans-133.4142.3-178.977.30000112.9Q218 H222 M223 S224Q218-S220 PolarHBondContact O-N 2.79Å; Q218-S220 VanDerWaalsContact O-N 3.11Å; S220-H222 VanDerWaalsContact C-N 3.27Å; S220-H222 PolarHBondContact O-N 3.13Å; S220-M223 PolarHBondContact O-N 2.68Å; S220-M223 VanDerWaalsContact OG-CG 3.23Å; S220-M223 WeakPolarHBondContact OG-CG 3.28Å; S220-M223 PolarHBondContact OG-SD 3.01Å; S220-S224 PolarHBondContact O-N 3.07Å; S220-S224 VanDerWaalsContact O-N 3.09Å
221L87.7Confident78.5Confident140 Ų14067.3 Ų67.373%0.73339%0.389SS*.Hα-helixtrans-53.6-41.9-178.7178.361.7000112.7T205 M223 S224 A225T205-L221 HydrophobicContact CG2-CD1 4.23Å; L221-M223 VanDerWaalsContact C-N 3.34Å; L221-M223 PolarHBondContact O-N 3.19Å; L221-S224 PolarHBondContact O-N 3.41Å; L221-A225 VanDerWaalsContact O-CB 3.27Å; L221-A225 WeakPolarHBondContact O-CB 3.37Å; L221-A225 PolarHBondContact O-N 3.01Å
222H89.3Confident79.2Confident152 Ų15268.3 Ų68.370%0.70439%0.394SS*.Hα-helixtrans-63-38.8177.9-176.9-71.7000112.2S220 A226S220-H222 VanDerWaalsContact C-N 3.27Å; S220-H222 PolarHBondContact O-N 3.13Å; H222-A226 VanDerWaalsContact O-CB 3.25Å; H222-A226 WeakPolarHBondContact O-CB 3.46Å; H222-A226 PolarHBondContact O-N 2.95Å
223M87.8Confident80.7Confident78 Ų7863.4 Ų63.438%0.38436%0.361SS..Hα-helixtrans-70.4-44.2178.9-69.9174.874.700111.2Q218 S220 L221 A225 A226 A227Q218-M223 HydrophobicContact CB-CB 4.44Å; S220-M223 PolarHBondContact O-N 2.68Å; S220-M223 VanDerWaalsContact OG-CG 3.23Å; S220-M223 WeakPolarHBondContact OG-CG 3.28Å; S220-M223 PolarHBondContact OG-SD 3.01Å; L221-M223 VanDerWaalsContact C-N 3.34Å; L221-M223 PolarHBondContact O-N 3.19Å; M223-A225 VanDerWaalsContact C-N 3.34Å; M223-A225 PolarHBondContact O-N 2.96Å; M223-A226 PolarHBondContact O-N 2.91Å; M223-A227 WeakPolarHBondContact O-CB 3.28Å; M223-A227 PolarHBondContact O-N 3.13Å
224S89.9Confident82.1Confident12 Ų1262.4 Ų62.48%0.08435%0.35CS..Hα-helixtrans-63.7-37.6175.2-58.30000112.8S220 L221 A227 A228S220-S224 PolarHBondContact O-N 3.07Å; S220-S224 VanDerWaalsContact O-N 3.09Å; L221-S224 PolarHBondContact O-N 3.41Å; S224-A227 PolarHBondContact O-N 3Å; S224-A228 WeakPolarHBondContact O-CB 3.36Å; S224-A228 PolarHBondContact O-N 3.48Å
225A92.9Very high84Confident33 Ų3369.5 Ų69.527%0.27338%0.381SS..Hα-helixtrans-69.9-37.9175.200000112.7T205 L221 M223 S229T205-A225 HydrophobicContact CG2-CB 4.08Å; L221-A225 VanDerWaalsContact O-CB 3.27Å; L221-A225 WeakPolarHBondContact O-CB 3.37Å; L221-A225 PolarHBondContact O-N 3.01Å; M223-A225 VanDerWaalsContact C-N 3.34Å; M223-A225 PolarHBondContact O-N 2.96Å; A225-S229 WeakPolarHBondContact O-CB 3.47Å; A225-S229 PolarHBondContact O-N 2.95Å; A225-S229 PolarHBondContact O-OG 3.17Å
226A92.3Very high86.2Confident50 Ų5068.2 Ų68.241%0.41337%0.366SS..Hα-helixtrans-66.4-41.4173.200000111.6H222 M223 S229H222-A226 VanDerWaalsContact O-CB 3.25Å; H222-A226 WeakPolarHBondContact O-CB 3.46Å; H222-A226 PolarHBondContact O-N 2.95Å; M223-A226 PolarHBondContact O-N 2.91Å; A226-S229 PolarHBondContact O-N 3.48Å; A226-S229 VanDerWaalsContact O-N 3.14Å
227A91.2Very high88.5Confident6 Ų662.1 Ų62.15%0.0533%0.329CS..Hα-helixtrans-63.5-44.8175.600000112M223 S224 S229 R230M223-A227 WeakPolarHBondContact O-CB 3.28Å; M223-A227 PolarHBondContact O-N 3.13Å; S224-A227 PolarHBondContact O-N 3Å; A227-S229 PolarHBondContact O-N 3.41Å; A227-R230 WeakPolarHBondContact O-CB 3.38Å; A227-R230 WeakPolarHBondContact O-CD 3.48Å; A227-R230 VanDerWaalsContact O-CG 3.24Å; A227-R230 WeakPolarHBondContact O-CG 3.29Å; A227-R230 PolarHBondContact O-N 3.08Å
228A94.5Very high90.4Very high0 Ų060.3 Ų60.30%033%0.325CS..Hα-helixtrans-67.3-16.7173.100000114.1R201 G204 T205 S224 T233R201-A228 WeakPolarHBondContact CG-O 3.47Å; G204-A228 VanDerWaalsContact C-CB 3.46Å; T205-A228 WeakPolarHBondContact OG1-CB 3.42Å; S224-A228 WeakPolarHBondContact O-CB 3.36Å; S224-A228 PolarHBondContact O-N 3.48Å; A228-T233 WeakPolarHBondContact O-CB 3.46Å; A228-T233 WeakPolarHBondContact O-CG2 3.31Å
229S96.4Very high92.1Very high50 Ų5059.5 Ų59.535%0.3532%0.323SS..THydrogen-bonded Turntrans-90.77.6175.8-59.50000113.8R201 A225 A226 A227R201-S229 WeakPolarHBondContact CD-OG 3.45Å; A225-S229 WeakPolarHBondContact O-CB 3.47Å; A225-S229 PolarHBondContact O-N 2.95Å; A225-S229 PolarHBondContact O-OG 3.17Å; A226-S229 PolarHBondContact O-N 3.48Å; A226-S229 VanDerWaalsContact O-N 3.14Å; A227-S229 PolarHBondContact O-N 3.41Å
230R95.1Very high94Very high64 Ų6454.3 Ų54.324%0.24229%0.289CS..SBendtrans-76.6154.3177.6-64.7174.362.267.411.6111.3A227 I232 T233 D266 M312A227-R230 WeakPolarHBondContact O-CB 3.38Å; A227-R230 WeakPolarHBondContact O-CD 3.48Å; A227-R230 VanDerWaalsContact O-CG 3.24Å; A227-R230 WeakPolarHBondContact O-CG 3.29Å; A227-R230 PolarHBondContact O-N 3.08Å; R230-I232 PolarHBondContact O-N 3.4Å; R230-T233 PolarHBondContact O-N 2.9Å; R230-D266 IonicContact CZ-OD1 3.72Å; R230-D266 IonicContact CZ-OD2 3.14Å; R230-D266 IonicContact NE-OD1 3.22Å; R230-D266 PolarHBondContact NE-OD1 3.39Å; R230-D266 IonicContact NE-OD2 2.85Å; R230-D266 PolarHBondContact NE-OD2 3.48Å; R230-D266 IonicContact NH2-OD1 3.75Å; R230-D266 PolarHBondContact NH2-OD1 3.28Å; R230-D266 IonicContact NH2-OD2 3.33Å; R230-D266 PolarHBondContact NH2-OD2 3.46Å; R230-M312 PolarHBondContact NH2-SD 3.03Å
231D97.1Very high94.8Very high107 Ų10752 Ų5257%0.57227%0.273SS*.Hα-helixtrans-56.8-31.4-169.2-52.9-49.7000113.5T233 L234 F235D231-T233 VanDerWaalsContact C-N 3.29Å; D231-T233 PolarHBondContact O-N 3.15Å; D231-L234 CarbonylContact O-C 3.59Å; D231-L234 PolarHBondContact O-N 3.37Å; D231-F235 HydrophobicContact CB-CD2 4.03Å; D231-F235 HydrophobicContact CB-CE2 3.85Å; D231-F235 WeakPolarHBondContact O-CD2 3.12Å; D231-F235 PolarHBondContact O-N 3.12Å
232I96.9Very high95.3Very high59 Ų5947 Ų4730%0.30325%0.246SC..Hα-helixtrans-58.4-37176.5-166.2176.3000113.2R230 H236 C264 R265 D266R230-I232 PolarHBondContact O-N 3.4Å; I232-H236 WeakPolarHBondContact O-CB 3.48Å; I232-H236 PolarHBondContact O-N 3.04Å; I232-C264 HydrophobicContact CG1-CB 4.33Å; I232-C264 HydrophobicContact CG2-CB 4.3Å; I232-R265 VanDerWaalsContact CD1-O 3.28Å; I232-R265 WeakPolarHBondContact CD1-O 3.49Å; I232-D266 HydrophobicContact CB-CB 4.32Å; I232-D266 HydrophobicContact CD1-CB 4.05Å; I232-D266 HydrophobicContact CG2-CB 4.04Å
233T97.4Very high95.6Very high4 Ų446.8 Ų46.83%0.02524%0.238CC..Hα-helixtrans-74.5-32.1176.2-630000111.3A228 R230 D231 A237A228-T233 WeakPolarHBondContact O-CB 3.46Å; A228-T233 WeakPolarHBondContact O-CG2 3.31Å; R230-T233 PolarHBondContact O-N 2.9Å; D231-T233 VanDerWaalsContact C-N 3.29Å; D231-T233 PolarHBondContact O-N 3.15Å; T233-A237 WeakPolarHBondContact O-CB 3.16Å; T233-A237 PolarHBondContact O-N 2.95Å; T233-A237 VanDerWaalsContact O-N 3.11Å
234L97.8Very high96.1Very high45 Ų4545.4 Ų45.424%0.23623%0.231CC..Hα-helixtrans-72.1-46.4175.9-59.5178.2000111.5L197 R201 D231 H236 A237 M238L197-L234 HydrophobicContact CB-CD2 4.25Å; L197-L234 HydrophobicContact CD2-CD2 4.12Å; R201-L234 HydrophobicContact CG-CD2 4.05Å; D231-L234 CarbonylContact O-C 3.59Å; D231-L234 PolarHBondContact O-N 3.37Å; L234-H236 PolarHBondContact O-N 3.3Å; L234-A237 WeakPolarHBondContact O-CB 3.2Å; L234-A237 PolarHBondContact O-N 3.25Å; L234-A237 VanDerWaalsContact O-N 3.15Å; L234-M238 WeakPolarHBondContact O-CG 3.42Å; L234-M238 PolarHBondContact O-N 3.46Å
235F97.8Very high96.4Very high151 Ų15151.5 Ų51.566%0.66226%0.263SS*.Hα-helixtrans-58.3-48173.6-76.3-58.3000111.2D231 A237 M238 D239D231-F235 HydrophobicContact CB-CD2 4.03Å; D231-F235 HydrophobicContact CB-CE2 3.85Å; D231-F235 WeakPolarHBondContact O-CD2 3.12Å; D231-F235 PolarHBondContact O-N 3.12Å; F235-A237 VanDerWaalsContact C-N 3.25Å; F235-A237 PolarHBondContact O-N 3.09Å; F235-M238 PolarHBondContact O-N 2.84Å; F235-D239 WeakPolarHBondContact O-CB 3.33Å; F235-D239 PolarHBondContact O-N 3.07Å
236H97.6Very high96.6Very high49 Ų4950.9 Ų50.923%0.22725%0.254CS..Hα-helixtrans-60-34.2176.3178.856.7000113.2I232 L234 T240 C264I232-H236 WeakPolarHBondContact O-CB 3.48Å; I232-H236 PolarHBondContact O-N 3.04Å; L234-H236 PolarHBondContact O-N 3.3Å; H236-T240 PolarHBondContact CE1-OG1 2.99Å; H236-T240 VanDerWaalsContact CE1-OG1 3.3Å; H236-T240 VanDerWaalsContact O-CB 3.22Å; H236-T240 WeakPolarHBondContact O-CB 3.43Å; H236-T240 PolarHBondContact O-N 2.99Å; H236-T240 PolarHBondContact O-OG1 3.31Å; H236-C264 PolarHBondContact CD2-SG 3.09Å
237A97.9Very high96.9Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-70.8-43.9176.100000112.4F196 L197 A200 T233 L234 F235 T240 L241F196-A237 HydrophobicContact CD1-CB 4.14Å; F196-A237 HydrophobicContact CE1-CB 3.92Å; F196-A237 WeakPolarHBondContact CE1-O 3.15Å; L197-A237 HydrophobicContact CD2-CB 3.61Å; A200-A237 HydrophobicContact CB-CB 3.59Å; T233-A237 WeakPolarHBondContact O-CB 3.16Å; T233-A237 PolarHBondContact O-N 2.95Å; T233-A237 VanDerWaalsContact O-N 3.11Å; L234-A237 WeakPolarHBondContact O-CB 3.2Å; L234-A237 PolarHBondContact O-N 3.25Å; L234-A237 VanDerWaalsContact O-N 3.15Å; F235-A237 VanDerWaalsContact C-N 3.25Å; F235-A237 PolarHBondContact O-N 3.09Å; A237-T240 PolarHBondContact O-N 3.43Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 2.96Å
238M97.8Very high97.1Very high52 Ų5254.3 Ų54.326%0.25626%0.264SS..Hα-helixtrans-63.8-42.6175.5-63.5-66.4-82.100111.8W182 I193 L197 L234 F235 L241 H242W182-M238 HydrophobicContact CD2-CE 3.95Å; W182-M238 HydrophobicContact CE3-CB 4Å; W182-M238 HydrophobicContact CE3-CE 3.75Å; W182-M238 HydrophobicContact CE3-SD 4.44Å; W182-M238 HydrophobicContact CH2-CE 3.37Å; W182-M238 HydrophobicContact CH2-SD 3.86Å; W182-M238 HydrophobicContact CZ2-CE 3.6Å; W182-M238 HydrophobicContact CZ3-CB 3.94Å; W182-M238 HydrophobicContact CZ3-CE 3.45Å; W182-M238 VanDerWaalsContact CZ3-CE 3.45Å; W182-M238 HydrophobicContact CZ3-CG 4.44Å; W182-M238 WeakPolarHBondContact CZ3-O 3.39Å; W182-M238 HydrophobicContact CZ3-SD 3.75Å; I193-M238 HydrophobicContact CG2-CE 4.14Å; I193-M238 HydrophobicContact CG2-SD 3.65Å; L197-M238 HydrophobicContact CD1-SD 4.13Å; L197-M238 HydrophobicContact CD2-CG 4.12Å; L197-M238 HydrophobicContact CD2-SD 4Å; L197-M238 HydrophobicContact CG-SD 4.36Å; L234-M238 WeakPolarHBondContact O-CG 3.42Å; L234-M238 PolarHBondContact O-N 3.46Å; F235-M238 PolarHBondContact O-N 2.84Å; M238-L241 WeakPolarHBondContact O-CB 3.25Å; M238-L241 PolarHBondContact O-N 3.45Å; M238-H242 PolarHBondContact O-N 3.37Å
239D97.7Very high97.2Very high36 Ų3658.4 Ų58.419%0.19329%0.292CS..Hα-helixtrans-61.9-43.6174.9176.139.2000111.9F235 H242 R243F235-D239 WeakPolarHBondContact O-CB 3.33Å; F235-D239 PolarHBondContact O-N 3.07Å; D239-H242 PolarHBondContact O-N 2.81Å; D239-R243 WeakPolarHBondContact O-CG 3.49Å; D239-R243 PolarHBondContact O-N 2.88Å; D239-R243 IonicContact OD1-CZ 2.79Å; D239-R243 IonicContact OD1-NE 2.7Å; D239-R243 IonicContact OD1-NH1 2.65Å; D239-R243 PolarHBondContact OD1-NH1 3.14Å; D239-R243 VanDerWaalsContact OD1-NH1 3.15Å; D239-R243 IonicContact OD1-NH2 3.61Å; D239-R243 PolarHBondContact OD1-NH2 3.2Å; D239-R243 IonicContact OD2-CZ 2.66Å; D239-R243 IonicContact OD2-NH1 3.26Å; D239-R243 PolarHBondContact OD2-NH1 3.35Å; D239-R243 IonicContact OD2-NH2 3Å; D239-R243 PolarHBondContact OD2-NH2 3.3Å
240T97.7Very high97.2Very high3 Ų358.1 Ų58.12%0.01829%0.29CS..Hα-helixtrans-64.5-39.2172.8-64.40000112.3F196 H236 A237 H244 A251 V254F196-T240 HydrophobicContact CZ-CG2 4.39Å; H236-T240 PolarHBondContact CE1-OG1 2.99Å; H236-T240 VanDerWaalsContact CE1-OG1 3.3Å; H236-T240 VanDerWaalsContact O-CB 3.22Å; H236-T240 WeakPolarHBondContact O-CB 3.43Å; H236-T240 PolarHBondContact O-N 2.99Å; H236-T240 PolarHBondContact O-OG1 3.31Å; A237-T240 PolarHBondContact O-N 3.43Å; T240-H244 WeakPolarHBondContact O-CB 3.3Å; T240-H244 PolarHBondContact O-CD2 3.09Å; T240-H244 PolarHBondContact O-N 2.95Å; T240-A251 HydrophobicContact CG2-CB 4.14Å; T240-V254 HydrophobicContact CG2-CB 4.34Å; T240-V254 HydrophobicContact CG2-CG1 4.28Å
241L97.9Very high97.3Very high0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-60.5-45.7172-74.3174.1000111.6W182 L188 I193 F196 A237 M238 H244 Y246 L248 A251W182-L241 HydrophobicContact CH2-CD1 4.26Å; W182-L241 HydrophobicContact CZ3-CB 4.09Å; W182-L241 HydrophobicContact CZ3-CD1 4.28Å; L188-L241 HydrophobicContact CD1-CD1 4.41Å; L188-L241 HydrophobicContact CD1-CD2 4.06Å; I193-L241 HydrophobicContact CG2-CD1 4.4Å; F196-L241 HydrophobicContact CB-CD1 4.3Å; F196-L241 HydrophobicContact CB-CD2 4.45Å; F196-L241 HydrophobicContact CD1-CD1 3.71Å; F196-L241 HydrophobicContact CD1-CD2 3.8Å; F196-L241 HydrophobicContact CD1-CG 3.6Å; F196-L241 HydrophobicContact CD2-CD2 3.88Å; F196-L241 HydrophobicContact CE1-CD1 4.29Å; F196-L241 HydrophobicContact CE1-CD2 3.93Å; F196-L241 HydrophobicContact CE1-CG 3.69Å; F196-L241 HydrophobicContact CE2-CD2 4Å; F196-L241 HydrophobicContact CG-CD1 4.11Å; F196-L241 HydrophobicContact CG-CD2 3.78Å; F196-L241 HydrophobicContact CG-CG 4.08Å; F196-L241 HydrophobicContact CZ-CD2 4.03Å; F196-L241 HydrophobicContact CZ-CG 4.24Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 2.96Å; M238-L241 WeakPolarHBondContact O-CB 3.25Å; M238-L241 PolarHBondContact O-N 3.45Å; L241-H244 PolarHBondContact O-N 2.94Å; L241-Y246 HydrophobicContact CB-CD1 4.14Å; L241-Y246 HydrophobicContact CB-CE1 4.39Å; L241-Y246 WeakPolarHBondContact O-CA 3.36Å; L241-Y246 PolarHBondContact O-N 2.96Å; L241-L248 HydrophobicContact CD2-CD2 3.84Å; L241-A251 HydrophobicContact CD2-CB 4Å
242H97.8Very high97.2Very high37 Ų3753.4 Ų53.417%0.17127%0.27CS..Hα-helixtrans-63.6-51.7-179.5-172.460.2000112.1K180 L181 M238 D239 H244 N245 Y246K180-H242 PolarHBondContact O-CD2 3.16Å; K180-H242 PolarHBondContact O-NE2 3.29Å; K180-H242 VanDerWaalsContact O-NE2 3.09Å; L181-H242 VanDerWaalsContact C-CD2 3.43Å; L181-H242 WeakPolarHBondContact O-CB 3.38Å; L181-H242 PolarHBondContact O-CD2 3.16Å; M238-H242 PolarHBondContact O-N 3.37Å; D239-H242 PolarHBondContact O-N 2.81Å; H242-H244 PolarHBondContact O-N 3.07Å; H242-H244 VanDerWaalsContact O-N 3.15Å; H242-N245 PolarHBondContact O-N 3.39Å; H242-Y246 AromaticContact ND1-CE2 3.85Å; H242-Y246 AromaticContact ND1-CZ 3.51Å; H242-Y246 PolarHBondContact ND1-OH 2.92Å
243R97.1Very high97.1Very high146 Ų14654 Ų5455%0.55128%0.279SS*.Hα-helixtrans-59.6-27.9179.2-69.7-160.5-164.791.39.4113.7D239 N245D239-R243 WeakPolarHBondContact O-CG 3.49Å; D239-R243 PolarHBondContact O-N 2.88Å; D239-R243 IonicContact OD1-CZ 2.79Å; D239-R243 IonicContact OD1-NE 2.7Å; D239-R243 IonicContact OD1-NH1 2.65Å; D239-R243 PolarHBondContact OD1-NH1 3.14Å; D239-R243 VanDerWaalsContact OD1-NH1 3.15Å; D239-R243 IonicContact OD1-NH2 3.61Å; D239-R243 PolarHBondContact OD1-NH2 3.2Å; D239-R243 IonicContact OD2-CZ 2.66Å; D239-R243 IonicContact OD2-NH1 3.26Å; D239-R243 PolarHBondContact OD2-NH1 3.35Å; D239-R243 IonicContact OD2-NH2 3Å; D239-R243 PolarHBondContact OD2-NH2 3.3Å; R243-N245 VanDerWaalsContact C-N 3.3Å
244H97.1Very high97Very high50 Ų5056.3 Ų56.323%0.23129%0.293CS..THydrogen-bonded Turntrans-93.520178.8-72.1-99.9000113.1T240 L241 H242 Y246 D247 S250 A251 V254T240-H244 WeakPolarHBondContact O-CB 3.3Å; T240-H244 PolarHBondContact O-CD2 3.09Å; T240-H244 PolarHBondContact O-N 2.95Å; L241-H244 PolarHBondContact O-N 2.94Å; H242-H244 PolarHBondContact O-N 3.07Å; H242-H244 VanDerWaalsContact O-N 3.15Å; H244-Y246 PolarHBondContact O-N 2.79Å; H244-Y246 VanDerWaalsContact O-N 3.13Å; H244-D247 PolarHBondContact O-N 3.13Å; H244-D247 VanDerWaalsContact O-N 3.1Å; H244-S250 PolarHBondContact ND1-OG 3.12Å; H244-A251 HydrophobicContact CB-CB 4.08Å; H244-V254 WeakPolarHBondContact CE1-CG2 3.48Å
245N96.9Very high96.9Very high140 Ų14054.4 Ų54.475%0.74928%0.283SS*.THydrogen-bonded Turntrans52.732.8179.3-57.1-77.8000113H242 R243 D247H242-N245 PolarHBondContact O-N 3.39Å; R243-N245 VanDerWaalsContact C-N 3.3Å; N245-D247 PolarHBondContact O-N 3.25Å
246Y97.8Very high96.6Very high20 Ų2051 Ų518%0.07827%0.274CS..THydrogen-bonded Turntrans64.212.8-178.2-53.1-75.6000116.4W182 D183 C186 P187 L188 L241 H242 H244 L248W182-Y246 HydrophobicContact CD2-CE1 4.47Å; W182-Y246 HydrophobicContact CE3-CE1 4.05Å; W182-Y246 HydrophobicContact CH2-CD1 4.41Å; W182-Y246 AromaticContact CH2-CE1 3.75Å; W182-Y246 HydrophobicContact CH2-CE1 3.75Å; W182-Y246 HydrophobicContact CZ2-CE1 4.15Å; W182-Y246 AromaticContact CZ3-CE1 3.69Å; W182-Y246 HydrophobicContact CZ3-CE1 3.69Å; D183-Y246 HydrophobicContact CB-CE2 4.13Å; D183-Y246 WeakPolarHBondContact CB-OH 3.48Å; D183-Y246 PolarHBondContact N-OH 3.02Å; C186-Y246 HydrophobicContact CB-CD1 3.78Å; C186-Y246 HydrophobicContact CB-CD2 3.82Å; C186-Y246 HydrophobicContact CB-CE1 3.61Å; C186-Y246 HydrophobicContact CB-CE2 3.66Å; C186-Y246 HydrophobicContact CB-CG 3.88Å; P187-Y246 HydrophobicContact CG-CD2 4.48Å; P187-Y246 HydrophobicContact CG-CG 4.43Å; L188-Y246 HydrophobicContact CD1-CD1 4.08Å; L188-Y246 HydrophobicContact CD1-CG 4.5Å; L241-Y246 HydrophobicContact CB-CD1 4.14Å; L241-Y246 HydrophobicContact CB-CE1 4.39Å; L241-Y246 WeakPolarHBondContact O-CA 3.36Å; L241-Y246 PolarHBondContact O-N 2.96Å; H242-Y246 AromaticContact ND1-CE2 3.85Å; H242-Y246 AromaticContact ND1-CZ 3.51Å; H242-Y246 PolarHBondContact ND1-OH 2.92Å; H244-Y246 PolarHBondContact O-N 2.79Å; H244-Y246 VanDerWaalsContact O-N 3.13Å; Y246-L248 PolarHBondContact O-N 2.68Å; Y246-L248 VanDerWaalsContact O-N 3.15Å
247D97.4Very high96.3Very high80 Ų8051.5 Ų51.543%0.42828%0.282SS..  trans-71.8108166.4174.128000110.5H244 N245 S249 S250 A251H244-D247 PolarHBondContact O-N 3.13Å; H244-D247 VanDerWaalsContact O-N 3.1Å; N245-D247 PolarHBondContact O-N 3.25Å; D247-S249 PolarHBondContact O-N 3.42Å; D247-S249 WeakPolarHBondContact OD1-CB 3.29Å; D247-S249 PolarHBondContact OD1-N 2.6Å; D247-S250 PolarHBondContact O-N 3.17Å; D247-S250 WeakPolarHBondContact OD2-CB 3.36Å; D247-S250 PolarHBondContact OD2-N 2.97Å; D247-A251 VanDerWaalsContact O-CB 3.23Å; D247-A251 WeakPolarHBondContact O-CB 3.5Å; D247-A251 PolarHBondContact O-N 3.25Å
248L96.2Very high95.7Very high47 Ų4757.2 Ų57.225%0.24633%0.329CS..Hα-helixtrans-55-35.2174.4-63.9172.8000112.4L188 Q192 F196 L241 Y246 L252L188-L248 HydrophobicContact CD1-CD2 3.9Å; L188-L248 HydrophobicContact CD1-CG 4.41Å; L188-L248 HydrophobicContact CD2-CD1 4Å; L188-L248 HydrophobicContact CD2-CD2 4.18Å; L188-L248 HydrophobicContact CD2-CG 3.87Å; Q192-L248 HydrophobicContact CB-CD1 4.21Å; Q192-L248 HydrophobicContact CG-CD1 4.34Å; F196-L248 HydrophobicContact CB-CD2 4.25Å; F196-L248 HydrophobicContact CD2-CD2 4.02Å; F196-L248 HydrophobicContact CG-CD2 4.41Å; L241-L248 HydrophobicContact CD2-CD2 3.84Å; Y246-L248 PolarHBondContact O-N 2.68Å; Y246-L248 VanDerWaalsContact O-N 3.15Å; L248-L252 VanDerWaalsContact O-CB 3.23Å; L248-L252 WeakPolarHBondContact O-CB 3.38Å; L248-L252 WeakPolarHBondContact O-CD1 3.48Å; L248-L252 WeakPolarHBondContact O-CG 3.33Å; L248-L252 PolarHBondContact O-N 2.66Å
249S95.7Very high95Very high86 Ų8658.8 Ų58.860%0.60136%0.359SS*.Hα-helixtrans-70.2-49.9-177.4-1700000111.3D247 L252 S253D247-S249 PolarHBondContact O-N 3.42Å; D247-S249 WeakPolarHBondContact OD1-CB 3.29Å; D247-S249 PolarHBondContact OD1-N 2.6Å; S249-L252 PolarHBondContact O-N 2.81Å; S249-S253 PolarHBondContact O-N 2.86Å
250S96.4Very high94.6Very high44 Ų4458.6 Ų58.631%0.30837%0.365SS..Hα-helixtrans-61.1-46.6173.8-170.40000111.6H244 D247 L252 S253 V254H244-S250 PolarHBondContact ND1-OG 3.12Å; D247-S250 PolarHBondContact O-N 3.17Å; D247-S250 WeakPolarHBondContact OD2-CB 3.36Å; D247-S250 PolarHBondContact OD2-N 2.97Å; S250-L252 PolarHBondContact O-N 3.31Å; S250-S253 WeakPolarHBondContact O-CB 3.41Å; S250-S253 PolarHBondContact O-N 2.97Å; S250-S253 PolarHBondContact O-OG 2.58Å; S250-V254 PolarHBondContact O-N 3.18Å
251A96.8Very high94.4Very high0 Ų059.6 Ų59.60%037%0.372CS..Hα-helixtrans-61.5-41.5178.300000113F196 T240 L241 H244 D247 S253 V254 L255F196-A251 HydrophobicContact CE2-CB 3.62Å; F196-A251 HydrophobicContact CZ-CB 3.65Å; T240-A251 HydrophobicContact CG2-CB 4.14Å; L241-A251 HydrophobicContact CD2-CB 4Å; H244-A251 HydrophobicContact CB-CB 4.08Å; D247-A251 VanDerWaalsContact O-CB 3.23Å; D247-A251 WeakPolarHBondContact O-CB 3.5Å; D247-A251 PolarHBondContact O-N 3.25Å; A251-S253 VanDerWaalsContact C-N 3.31Å; A251-S253 PolarHBondContact O-N 2.72Å; A251-V254 PolarHBondContact O-N 3.17Å; A251-L255 PolarHBondContact O-N 3.39Å
252L95.4Very high94.2Very high73 Ų7361.7 Ų61.738%0.38238%0.384SS..Hα-helixtrans-63.2-35.8176.5-78.5171.5000112.3F196 V199 L248 S249 S250 V254 L255F196-L252 HydrophobicContact CD2-CD2 3.98Å; F196-L252 HydrophobicContact CD2-CG 4.15Å; F196-L252 HydrophobicContact CE2-CD2 3.81Å; F196-L252 HydrophobicContact CE2-CG 3.87Å; V199-L252 HydrophobicContact CB-CD2 4.28Å; V199-L252 HydrophobicContact CG1-CD2 3.6Å; L248-L252 VanDerWaalsContact O-CB 3.23Å; L248-L252 WeakPolarHBondContact O-CB 3.38Å; L248-L252 WeakPolarHBondContact O-CD1 3.48Å; L248-L252 WeakPolarHBondContact O-CG 3.33Å; L248-L252 PolarHBondContact O-N 2.66Å; S249-L252 PolarHBondContact O-N 2.81Å; S250-L252 PolarHBondContact O-N 3.31Å; L252-V254 PolarHBondContact O-N 3.09Å; L252-L255 HydrophobicContact CD2-CD1 4.39Å; L252-L255 PolarHBondContact O-N 3.45Å
253S94.6Very high93.9Very high71 Ų7162.5 Ų62.550%0.49739%0.39SS..Hα-helixtrans-64.2-27.6178.779.70000113.3S249 S250 A251 V256S249-S253 PolarHBondContact O-N 2.86Å; S250-S253 WeakPolarHBondContact O-CB 3.41Å; S250-S253 PolarHBondContact O-N 2.97Å; S250-S253 PolarHBondContact O-OG 2.58Å; A251-S253 VanDerWaalsContact C-N 3.31Å; A251-S253 PolarHBondContact O-N 2.72Å; S253-V256 CarbonylContact O-C 3.39Å
254V95.4Very high93.8Very high52 Ų5256.4 Ų56.432%0.31537%0.37SS..Hα-helixtrans-85.2-18.9178.6172.90000112.9T240 H244 S250 A251 L252 V256 P257 V262T240-V254 HydrophobicContact CG2-CB 4.34Å; T240-V254 HydrophobicContact CG2-CG1 4.28Å; H244-V254 WeakPolarHBondContact CE1-CG2 3.48Å; S250-V254 PolarHBondContact O-N 3.18Å; A251-V254 PolarHBondContact O-N 3.17Å; L252-V254 PolarHBondContact O-N 3.09Å; V254-V256 VanDerWaalsContact C-N 3.34Å; V254-P257 WeakPolarHBondContact O-CD 3.17Å; V254-V262 VanDerWaalsContact O-CG2 3.28Å; V254-V262 WeakPolarHBondContact O-CG2 3.3Å
255L95.1Very high93.5Very high5 Ų556.8 Ų56.83%0.02637%0.369CS..Hα-helixtrans-73.6-26.8170.3-65.3-179.7000112.6F196 A200 V203 A251 L252 V262F196-L255 HydrophobicContact CE1-CD1 3.99Å; F196-L255 HydrophobicContact CE2-CD1 3.96Å; F196-L255 HydrophobicContact CZ-CD1 3.52Å; F196-L255 HydrophobicContact CZ-CG 4.04Å; A200-L255 HydrophobicContact CB-CD1 3.95Å; A200-L255 HydrophobicContact CB-CD2 4.48Å; V203-L255 HydrophobicContact CG1-CB 4.35Å; V203-L255 WeakPolarHBondContact CG1-O 3.39Å; A251-L255 PolarHBondContact O-N 3.39Å; L252-L255 HydrophobicContact CD2-CD1 4.39Å; L252-L255 PolarHBondContact O-N 3.45Å; L255-V262 PolarHBondContact O-N 2.82Å
256V93.2Very high93.4Very high80 Ų8050.8 Ų50.849%0.48534%0.337SS..SBendtrans-132.168.9178.1-165.70000111V203 S253 V254V203-V256 HydrophobicContact CG1-CG2 3.99Å; V203-V256 HydrophobicContact CG2-CG2 3.84Å; S253-V256 CarbonylContact O-C 3.39Å; V254-V256 VanDerWaalsContact C-N 3.34Å
257P91.4Very high93.2Very high60 Ų6051.5 Ų51.539%0.3934%0.341SS..  trans-66.8166.817530.1-36.5000111.5V254 G259 G260 V262V254-P257 WeakPolarHBondContact O-CD 3.17Å; P257-G259 PolarHBondContact O-N 3.42Å; P257-G260 VanDerWaalsContact CD-O 3.24Å; P257-G260 WeakPolarHBondContact CD-O 3.4Å; P257-G260 WeakPolarHBondContact CG-O 3.29Å; P257-G260 PolarHBondContact O-N 2.8Å; P257-V262 HydrophobicContact CG-CG2 4.42Å
258A85.2Confident92.9Very high119 Ų11949.8 Ų49.898%0.98333%0.331SS*.THydrogen-bonded Turntrans-59-15.2-175.900000115.5
259G82.1Confident92.6Very high86 Ų8648.4 Ų48.489%0.88732%0.323SS*.THydrogen-bonded Turntrans-85-6.9173.700000115.2P257P257-G259 PolarHBondContact O-N 3.42Å
260G88.9Confident92.3Very high31 Ų3149 Ų4932%0.3232%0.317SS..  trans120.7170.9-175.300000113.5P257P257-G260 VanDerWaalsContact CD-O 3.24Å; P257-G260 WeakPolarHBondContact CD-O 3.4Å; P257-G260 WeakPolarHBondContact CG-O 3.29Å; P257-G260 PolarHBondContact O-N 2.8Å
261P94.1Very high92.1Very high25 Ų2547.5 Ų47.516%0.16230%0.304CS..  trans-67.2144.9-176.829.7-37.4000113.2V203 F206 A207 L210V203-P261 HydrophobicContact CG1-CB 3.64Å; F206-P261 HydrophobicContact CD1-CB 4.44Å; F206-P261 HydrophobicContact CD1-CG 3.95Å; F206-P261 HydrophobicContact CE1-CG 4.35Å; A207-P261 HydrophobicContact CB-CB 4.06Å; A207-P261 HydrophobicContact CB-CG 3.81Å; L210-P261 HydrophobicContact CD1-CG 4.03Å
262V93.5Very high91.7Very high43 Ų4348.6 Ų48.626%0.26131%0.312SS..  trans-68137.1179.81770000112V254 L255 P257V254-V262 VanDerWaalsContact O-CG2 3.28Å; V254-V262 WeakPolarHBondContact O-CG2 3.3Å; L255-V262 PolarHBondContact O-N 2.82Å; P257-V262 HydrophobicContact CG-CG2 4.42Å
263L92.1Very high91.4Very high54 Ų5449.2 Ų49.228%0.28333%0.328SS..  trans-121.391.8179.617952000111.6A207 R208 D211 R265A207-L263 HydrophobicContact CB-CB 4.04Å; A207-L263 HydrophobicContact CB-CD1 4.33Å; R208-L263 HydrophobicContact CG-CD1 3.55Å; D211-L263 HydrophobicContact CB-CD2 4.03Å; L263-R265 HydrophobicContact CD1-CG 4.02Å; L263-R265 HydrophobicContact CD2-CG 4.47Å; L263-R265 HydrophobicContact CG-CG 3.86Å
264C94Very high91.2Very high19 Ų1949.3 Ų49.313%0.12833%0.328CS..  trans-79126.8169.4-36.70000109.5R208 I232 H236R208-C264 PolarHBondContact NH2-O 2.67Å; I232-C264 HydrophobicContact CG1-CB 4.33Å; I232-C264 HydrophobicContact CG2-CB 4.3Å; H236-C264 PolarHBondContact CD2-SG 3.09Å
265R92Very high91.2Very high57 Ų5748 Ų4822%0.21532%0.319CS..  trans-129.3137.3174-43-175.987.9141.814.5108.6D211 S213 S214 I232 L263 E269D211-R265 IonicContact OD2-CZ 3.71Å; D211-R265 IonicContact OD2-NH1 2.71Å; D211-R265 PolarHBondContact OD2-NH1 2.87Å; D211-R265 IonicContact OD2-NH2 3.27Å; S213-R265 PolarHBondContact OG-NH1 2.69Å; S214-R265 PolarHBondContact OG-NH2 2.59Å; I232-R265 VanDerWaalsContact CD1-O 3.28Å; I232-R265 WeakPolarHBondContact CD1-O 3.49Å; L263-R265 HydrophobicContact CD1-CG 4.02Å; L263-R265 HydrophobicContact CD2-CG 4.47Å; L263-R265 HydrophobicContact CG-CG 3.86Å; R265-E269 HydrophobicContact CB-CB 4.49Å; R265-E269 IonicContact CZ-OE1 3.74Å; R265-E269 VanDerWaalsContact CZ-OE1 3.27Å; R265-E269 IonicContact NE-OE1 2.74Å; R265-E269 PolarHBondContact NE-OE1 3.26Å; R265-E269 IonicContact NH2-OE1 3.15Å; R265-E269 PolarHBondContact NH2-OE1 3.04Å
266D93.8Very high91.1Very high15 Ų1548.8 Ų48.88%0.0833%0.325CS..  trans-96.2171.6169.759.230.1000110.7R230 I232 M268 E269 E270 M312R230-D266 IonicContact CZ-OD1 3.72Å; R230-D266 IonicContact CZ-OD2 3.14Å; R230-D266 IonicContact NE-OD1 3.22Å; R230-D266 PolarHBondContact NE-OD1 3.39Å; R230-D266 IonicContact NE-OD2 2.85Å; R230-D266 PolarHBondContact NE-OD2 3.48Å; R230-D266 IonicContact NH2-OD1 3.75Å; R230-D266 PolarHBondContact NH2-OD1 3.28Å; R230-D266 IonicContact NH2-OD2 3.33Å; R230-D266 PolarHBondContact NH2-OD2 3.46Å; I232-D266 HydrophobicContact CB-CB 4.32Å; I232-D266 HydrophobicContact CD1-CB 4.05Å; I232-D266 HydrophobicContact CG2-CB 4.04Å; D266-M268 PolarHBondContact O-N 3.17Å; D266-M268 VanDerWaalsContact O-N 3.13Å; D266-M268 WeakPolarHBondContact OD1-CB 3.38Å; D266-M268 PolarHBondContact OD1-N 3.34Å; D266-E269 PolarHBondContact O-N 3.07Å; D266-E269 PolarHBondContact OD1-N 3.02Å; D266-E270 PolarHBondContact O-N 3.09Å; D266-M312 HydrophobicContact CB-CE 3.91Å; D266-M312 HydrophobicContact CB-SD 4Å; D266-M312 VanDerWaalsContact CG-SD 3.55Å
267E94.4Very high91.2Very high34 Ų3447.7 Ų47.716%0.15933%0.325CS..Hα-helixtrans-56.8-31.3-175.9-64.6-83.8-162.100112.4E269 E270 W271 K301 S305 E308 Y309 M312E267-E269 VanDerWaalsContact C-N 3.29Å; E267-E269 PolarHBondContact O-N 3.38Å; E267-E270 PolarHBondContact O-N 2.85Å; E267-W271 PolarHBondContact O-N 2.78Å; E267-W271 VanDerWaalsContact OE2-CD1 3.29Å; E267-W271 PolarHBondContact OE2-NE1 3.47Å; E267-K301 IonicContact OE2-NZ 3.66Å; E267-K301 PolarHBondContact OE2-NZ 3.1Å; E267-S305 VanDerWaalsContact OE1-CA 3.28Å; E267-S305 WeakPolarHBondContact OE1-CA 3.5Å; E267-S305 WeakPolarHBondContact OE1-CB 3.36Å; E267-S305 PolarHBondContact OE1-OG 3.4Å; E267-S305 PolarHBondContact OE2-OG 3.01Å; E267-E308 HydrophobicContact CG-CB 4.42Å; E267-Y309 WeakPolarHBondContact O-CD2 3.44Å; E267-M312 HydrophobicContact CB-CE 3.91Å
268M91.2Very high91.4Very high44 Ų4447.5 Ų47.522%0.21732%0.319CS..Hα-helixtrans-60.9-37.5175.7172.552.946.600112.8D266 Y309 M312 W313 T316D266-M268 PolarHBondContact O-N 3.17Å; D266-M268 VanDerWaalsContact O-N 3.13Å; D266-M268 WeakPolarHBondContact OD1-CB 3.38Å; D266-M268 PolarHBondContact OD1-N 3.34Å; M268-Y309 HydrophobicContact CE-CD2 4.06Å; M268-Y309 HydrophobicContact CE-CE2 3.61Å; M268-Y309 HydrophobicContact SD-CE2 4.26Å; M268-M312 HydrophobicContact CB-CB 3.86Å; M268-M312 HydrophobicContact CB-CG 4.33Å; M268-M312 HydrophobicContact CB-SD 3.44Å; M268-M312 WeakPolarHBondContact CB-SD 3.44Å; M268-M312 HydrophobicContact CE-CB 3.92Å; M268-M312 HydrophobicContact CG-CB 4.44Å; M268-W313 HydrophobicContact CE-CB 3.69Å; M268-W313 VanDerWaalsContact CE-N 3.34Å; M268-T316 HydrophobicContact CE-CG2 4.26Å; M268-T316 HydrophobicContact SD-CG2 4.26Å
269E89.1Confident91.9Very high18 Ų1841.8 Ų41.88%0.08427%0.272CS..Hα-helixtrans-89-32.8178.6-162.2-169.7141.600113R208 R217 R265 D266 E267 W271R208-E269 IonicContact CZ-OE1 3.7Å; R208-E269 IonicContact CZ-OE2 3.28Å; R208-E269 VanDerWaalsContact CZ-OE2 3.28Å; R208-E269 VanDerWaalsContact NE-CD 3.34Å; R208-E269 IonicContact NE-OE1 2.93Å; R208-E269 PolarHBondContact NE-OE1 2.71Å; R208-E269 IonicContact NE-OE2 3.02Å; R208-E269 PolarHBondContact NE-OE2 2.73Å; R208-E269 IonicContact NH2-OE1 2.68Å; R208-E269 IonicContact NH2-OE2 3.99Å; R208-E269 PolarHBondContact NH2-OE2 3.05Å; R217-E269 PolarHBondContact NH1-O 3.21Å; R265-E269 HydrophobicContact CB-CB 4.49Å; R265-E269 IonicContact CZ-OE1 3.74Å; R265-E269 VanDerWaalsContact CZ-OE1 3.27Å; R265-E269 IonicContact NE-OE1 2.74Å; R265-E269 PolarHBondContact NE-OE1 3.26Å; R265-E269 IonicContact NH2-OE1 3.15Å; R265-E269 PolarHBondContact NH2-OE1 3.04Å; D266-E269 PolarHBondContact O-N 3.07Å; D266-E269 PolarHBondContact OD1-N 3.02Å; E267-E269 VanDerWaalsContact C-N 3.29Å; E267-E269 PolarHBondContact O-N 3.38Å; E269-W271 PolarHBondContact O-N 3.01Å
270E89.8Confident92.5Very high100 Ų10039.1 Ų39.147%0.46724%0.237SC..Hα-helixtrans-69.6-29.7-176.9-161.9-162.9-13600113.1R217 D266 E267 K301R217-E270 PolarHBondContact NH1-O 3.19Å; R217-E270 PolarHBondContact NH2-O 3.47Å; D266-E270 PolarHBondContact O-N 3.09Å; E267-E270 PolarHBondContact O-N 2.85Å; E270-K301 IonicContact OE2-NZ 3.15Å; E270-K301 PolarHBondContact OE2-NZ 3.01Å
271W91.4Very high92.8Very high11 Ų1143.6 Ų43.64%0.04225%0.249CC..SBendtrans-70138.3-177.3-75.740.5000113.4R217 E267 E269 E275 F279 L298 K301 I306 Y309R217-W271 PolarHBondContact NH1-O 3.37Å; E267-W271 PolarHBondContact O-N 2.78Å; E267-W271 VanDerWaalsContact OE2-CD1 3.29Å; E267-W271 PolarHBondContact OE2-NE1 3.47Å; E269-W271 PolarHBondContact O-N 3.01Å; W271-E275 HydrophobicContact CB-CB 4.47Å; W271-E275 HydrophobicContact CD2-CB 4.33Å; W271-E275 HydrophobicContact CE3-CB 3.74Å; W271-E275 HydrophobicContact CZ3-CB 4.42Å; W271-F279 HydrophobicContact CH2-CD2 4.19Å; W271-F279 HydrophobicContact CZ3-CB 3.9Å; W271-F279 HydrophobicContact CZ3-CD2 4.11Å; W271-F279 HydrophobicContact CZ3-CG 4.19Å; W271-L298 HydrophobicContact CH2-CD1 3.61Å; W271-L298 HydrophobicContact CZ3-CD1 3.49Å; W271-L298 VanDerWaalsContact CZ3-CD1 3.49Å; W271-K301 VanDerWaalsContact CD1-NZ 3.34Å; W271-K301 HydrophobicContact CZ2-CD 4.42Å; W271-K301 HydrophobicContact CZ2-CG 4.15Å; W271-K301 VanDerWaalsContact NE1-CE 3.29Å; W271-I306 HydrophobicContact CH2-CB 4.38Å; W271-I306 HydrophobicContact CH2-CG1 3.88Å; W271-I306 HydrophobicContact CZ2-CG1 4.09Å; W271-Y309 HydrophobicContact CB-CD2 4.19Å; W271-Y309 HydrophobicContact CB-CE2 3.88Å; W271-Y309 AromaticContact CD1-CD2 3.98Å; W271-Y309 HydrophobicContact CD2-CD1 4.26Å; W271-Y309 AromaticContact CD2-CD2 3.48Å; W271-Y309 HydrophobicContact CD2-CD2 3.48Å; W271-Y309 VanDerWaalsContact CD2-CD2 3.48Å; W271-Y309 AromaticContact CD2-CE2 3.83Å; W271-Y309 HydrophobicContact CD2-CE2 3.83Å; W271-Y309 AromaticContact CD2-CG 3.74Å; W271-Y309 HydrophobicContact CD2-CG 3.74Å; W271-Y309 AromaticContact CE2-CD2 3.73Å; W271-Y309 AromaticContact CE2-CG 3.68Å; W271-Y309 AromaticContact CE3-CD1 3.91Å; W271-Y309 HydrophobicContact CE3-CD1 3.91Å; W271-Y309 AromaticContact CE3-CD2 3.88Å; W271-Y309 HydrophobicContact CE3-CD2 3.88Å; W271-Y309 AromaticContact CE3-CE1 3.98Å; W271-Y309 HydrophobicContact CE3-CE1 3.98Å; W271-Y309 AromaticContact CE3-CE2 3.95Å; W271-Y309 HydrophobicContact CE3-CE2 3.95Å; W271-Y309 AromaticContact CE3-CG 3.88Å; W271-Y309 HydrophobicContact CE3-CG 3.88Å; W271-Y309 AromaticContact CG-CD2 3.65Å; W271-Y309 HydrophobicContact CG-CD2 3.65Å; W271-Y309 AromaticContact CG-CE2 3.84Å; W271-Y309 HydrophobicContact CG-CE2 3.84Å; W271-Y309 HydrophobicContact CG-CG 4.37Å; W271-Y309 AromaticContact CH2-CD1 3.89Å; W271-Y309 HydrophobicContact CH2-CD1 3.89Å; W271-Y309 AromaticContact CH2-CG 3.89Å; W271-Y309 HydrophobicContact CH2-CG 3.89Å; W271-Y309 HydrophobicContact CZ2-CD1 4.26Å; W271-Y309 HydrophobicContact CZ2-CD2 4.31Å; W271-Y309 AromaticContact CZ2-CG 3.77Å; W271-Y309 HydrophobicContact CZ2-CG 3.77Å; W271-Y309 AromaticContact CZ3-CD1 3.72Å; W271-Y309 HydrophobicContact CZ3-CD1 3.72Å; W271-Y309 HydrophobicContact CZ3-CD2 4.43Å; W271-Y309 HydrophobicContact CZ3-CE1 4.04Å; W271-Y309 AromaticContact CZ3-CG 3.95Å; W271-Y309 HydrophobicContact CZ3-CG 3.95Å; W271-Y309 AromaticContact NE1-CD2 3.98Å
272S89.7Confident93Very high24 Ų2442.4 Ų42.417%0.16824%0.241CC..  trans-69.9155.1172.566.30000112S274 E275 A276S272-S274 WeakPolarHBondContact CB-OG 3.41Å; S272-S274 PolarHBondContact O-N 2.82Å; S272-S274 VanDerWaalsContact O-N 3.16Å; S272-S274 PolarHBondContact OG-OG 3.32Å; S272-E275 VanDerWaalsContact CB-OE2 3.23Å; S272-E275 WeakPolarHBondContact CB-OE2 3.39Å; S272-E275 PolarHBondContact N-OE2 3.37Å; S272-E275 PolarHBondContact O-N 3.02Å; S272-E275 VanDerWaalsContact OG-CG 3.3Å; S272-E275 WeakPolarHBondContact OG-CG 3.25Å; S272-E275 PolarHBondContact OG-N 3.06Å; S272-E275 VanDerWaalsContact OG-N 3.13Å; S272-E275 PolarHBondContact OG-OE2 2.74Å; S272-A276 PolarHBondContact O-N 3.45Å
273A88.1Confident93Very high86 Ų8641.4 Ų41.471%0.71124%0.235SC*.Hα-helixtrans-57.4-29.6173.800000112.6A277A273-A277 WeakPolarHBondContact O-CB 3.42Å; A273-A277 PolarHBondContact O-N 3.1Å
274S91.6Very high93Very high72 Ų7244.9 Ų44.950%0.50325%0.249SC..Hα-helixtrans-66.2-46170.827.90000113.2S272 A277 M278S272-S274 WeakPolarHBondContact CB-OG 3.41Å; S272-S274 PolarHBondContact O-N 2.82Å; S272-S274 VanDerWaalsContact O-N 3.16Å; S272-S274 PolarHBondContact OG-OG 3.32Å; S274-A277 PolarHBondContact O-N 3.18Å; S274-M278 WeakPolarHBondContact O-CG 3.29Å; S274-M278 PolarHBondContact O-N 3.45Å
275E95.1Very high93.1Very high26 Ų2649.4 Ų49.412%0.12127%0.267CS..Hα-helixtrans-67.8-39.7177.6-72.1160.4119.900111.7W271 S272 A277 M278 F279 L298 W300W271-E275 HydrophobicContact CB-CB 4.47Å; W271-E275 HydrophobicContact CD2-CB 4.33Å; W271-E275 HydrophobicContact CE3-CB 3.74Å; W271-E275 HydrophobicContact CZ3-CB 4.42Å; S272-E275 VanDerWaalsContact CB-OE2 3.23Å; S272-E275 WeakPolarHBondContact CB-OE2 3.39Å; S272-E275 PolarHBondContact N-OE2 3.37Å; S272-E275 PolarHBondContact O-N 3.02Å; S272-E275 VanDerWaalsContact OG-CG 3.3Å; S272-E275 WeakPolarHBondContact OG-CG 3.25Å; S272-E275 PolarHBondContact OG-N 3.06Å; S272-E275 VanDerWaalsContact OG-N 3.13Å; S272-E275 PolarHBondContact OG-OE2 2.74Å; E275-A277 VanDerWaalsContact C-N 3.35Å; E275-A277 PolarHBondContact O-N 3.28Å; E275-M278 HydrophobicContact CG-CE 4.12Å; E275-M278 PolarHBondContact O-N 2.91Å; E275-F279 VanDerWaalsContact O-CB 3.31Å; E275-F279 WeakPolarHBondContact O-CB 3.15Å; E275-F279 PolarHBondContact O-N 2.74Å; E275-L298 HydrophobicContact CB-CD2 4.1Å; E275-L298 HydrophobicContact CG-CD2 4.02Å; E275-W300 HydrophobicContact CG-CZ2 4.03Å; E275-W300 PolarHBondContact OE1-NE1 2.98Å
276A93.4Very high93.4Very high20 Ų2050 Ų5017%0.16527%0.27CS..Hα-helixtrans-59.4-43.4172.400000112S272 F279 E280 Y309S272-A276 PolarHBondContact O-N 3.45Å; A276-F279 PolarHBondContact O-N 2.7Å; A276-E280 WeakPolarHBondContact O-CG 3.32Å; A276-E280 PolarHBondContact O-N 3.09Å; A276-E280 VanDerWaalsContact O-N 3.09Å; A276-Y309 VanDerWaalsContact CB-OH 3.28Å; A276-Y309 WeakPolarHBondContact CB-OH 3.42Å
277A93.6Very high93.4Very high57 Ų5751 Ų5147%0.47128%0.283SS..Hα-helixtrans-66.8-44.7176.400000112.6A273 S274 E275 F279 E280 E281A273-A277 WeakPolarHBondContact O-CB 3.42Å; A273-A277 PolarHBondContact O-N 3.1Å; S274-A277 PolarHBondContact O-N 3.18Å; E275-A277 VanDerWaalsContact C-N 3.35Å; E275-A277 PolarHBondContact O-N 3.28Å; A277-F279 VanDerWaalsContact C-N 3.3Å; A277-F279 PolarHBondContact O-N 2.99Å; A277-E280 PolarHBondContact O-N 3.39Å; A277-E281 PolarHBondContact O-N 2.98Å; A277-E281 VanDerWaalsContact O-N 3.1Å
278M96.5Very high93.5Very high56 Ų5656 Ų5628%0.27631%0.305SS..Hα-helixtrans-62.1-37.6175.9-73.6-175.2-6500111.9S274 E275 A282 F297 L298 W300S274-M278 WeakPolarHBondContact O-CG 3.29Å; S274-M278 PolarHBondContact O-N 3.45Å; E275-M278 HydrophobicContact CG-CE 4.12Å; E275-M278 PolarHBondContact O-N 2.91Å; M278-A282 VanDerWaalsContact O-CB 3.23Å; M278-A282 WeakPolarHBondContact O-CB 3.38Å; M278-A282 PolarHBondContact O-N 2.93Å; M278-F297 HydrophobicContact CB-CD1 4.27Å; M278-F297 WeakPolarHBondContact O-CD1 3.49Å; M278-L298 HydrophobicContact CB-CD2 4.29Å; M278-L298 HydrophobicContact CE-CD2 4.1Å; M278-W300 HydrophobicContact CE-CH2 3.73Å; M278-W300 HydrophobicContact CE-CZ2 3.67Å; M278-W300 HydrophobicContact SD-CH2 4.32Å
279F96.7Very high93.7Very high0 Ų057.4 Ų57.40%031%0.313CS..Hα-helixtrans-62.9-44.7173.9177.2-94.6000112.9W271 E275 A276 A277 A282 L283 I293 L298 I306 Y309 Y310 W313W271-F279 HydrophobicContact CH2-CD2 4.19Å; W271-F279 HydrophobicContact CZ3-CB 3.9Å; W271-F279 HydrophobicContact CZ3-CD2 4.11Å; W271-F279 HydrophobicContact CZ3-CG 4.19Å; E275-F279 VanDerWaalsContact O-CB 3.31Å; E275-F279 WeakPolarHBondContact O-CB 3.15Å; E275-F279 PolarHBondContact O-N 2.74Å; A276-F279 PolarHBondContact O-N 2.7Å; A277-F279 VanDerWaalsContact C-N 3.3Å; A277-F279 PolarHBondContact O-N 2.99Å; F279-A282 PolarHBondContact O-N 2.87Å; F279-L283 HydrophobicContact CE1-CB 4.46Å; F279-L283 HydrophobicContact CE1-CD1 4.22Å; F279-L283 HydrophobicContact CE1-CD2 4.21Å; F279-L283 HydrophobicContact CE2-CD1 4.42Å; F279-L283 HydrophobicContact CZ-CD1 3.79Å; F279-L283 VanDerWaalsContact O-CB 3.25Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 3.48Å; F279-I293 HydrophobicContact CD2-CG2 4.31Å; F279-L298 HydrophobicContact CB-CD1 4.13Å; F279-L298 HydrophobicContact CD2-CD1 4.28Å; F279-I306 HydrophobicContact CD2-CG2 4.29Å; F279-I306 HydrophobicContact CE2-CG2 3.96Å; F279-Y309 HydrophobicContact CB-CE1 4.38Å; F279-Y309 HydrophobicContact CD1-CD1 4.02Å; F279-Y309 AromaticContact CD1-CE1 3.65Å; F279-Y309 HydrophobicContact CD1-CE1 3.65Å; F279-Y309 HydrophobicContact CD2-CD1 4.19Å; F279-Y309 HydrophobicContact CE1-CD1 4.11Å; F279-Y309 HydrophobicContact CE1-CE1 4.03Å; F279-Y309 HydrophobicContact CE2-CD1 4.28Å; F279-Y309 HydrophobicContact CG-CD1 4.07Å; F279-Y309 AromaticContact CG-CE1 3.92Å; F279-Y309 HydrophobicContact CG-CE1 3.92Å; F279-Y309 HydrophobicContact CZ-CD1 4.25Å; F279-Y310 HydrophobicContact CZ-CD2 4.04Å; F279-Y310 HydrophobicContact CZ-CG 4.36Å; F279-W313 HydrophobicContact CE1-CD2 4.04Å; F279-W313 HydrophobicContact CE1-CE3 4.05Å; F279-W313 HydrophobicContact CE1-CG 4.33Å
280E93.8Very high94.2Very high30 Ų3057.9 Ų57.914%0.1432%0.315CS..Hα-helixtrans-64.7-41.9179.1-72.4-174.1179.800112A276 A277 L283 E284 W313 R318A276-E280 WeakPolarHBondContact O-CG 3.32Å; A276-E280 PolarHBondContact O-N 3.09Å; A276-E280 VanDerWaalsContact O-N 3.09Å; A277-E280 PolarHBondContact O-N 3.39Å; E280-L283 PolarHBondContact O-N 3.1Å; E280-E284 WeakPolarHBondContact O-CG 3.33Å; E280-E284 PolarHBondContact O-N 2.82Å; E280-W313 HydrophobicContact CG-CZ2 3.67Å; E280-W313 PolarHBondContact OE1-NE1 3.02Å; E280-R318 VanDerWaalsContact OE1-CD 3.28Å; E280-R318 WeakPolarHBondContact OE1-CD 3.38Å; E280-R318 IonicContact OE1-CZ 2.75Å; E280-R318 IonicContact OE1-NE 3.52Å; E280-R318 PolarHBondContact OE1-NE 2.92Å; E280-R318 IonicContact OE2-CZ 2.76Å; E280-R318 IonicContact OE2-NE 2.83Å; E280-R318 PolarHBondContact OE2-NE 3.43Å; E280-R318 IonicContact OE2-NH2 2.64Å; E280-R318 PolarHBondContact OE2-NH2 2.84Å
281E95.3Very high94.5Very high124 Ų12456.5 Ų56.558%0.57931%0.311SS*.Hα-helixtrans-61.2-45.4172.9-169.9-174.5156.400111.4A277 L283 E284 K285 F297A277-E281 PolarHBondContact O-N 2.98Å; A277-E281 VanDerWaalsContact O-N 3.1Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.27Å; E281-E284 PolarHBondContact O-N 2.89Å; E281-K285 VanDerWaalsContact O-CB 3.32Å; E281-K285 WeakPolarHBondContact O-CB 3.37Å; E281-K285 PolarHBondContact O-N 3.25Å; E281-F297 HydrophobicContact CB-CE1 4.03Å; E281-F297 HydrophobicContact CG-CE1 3.92Å; E281-F297 HydrophobicContact CG-CZ 4.19Å
282A97Very high94.8Very high0 Ų059.2 Ų59.20%033%0.326CS..Hα-helixtrans-63.2-38.8178.100000112.5M278 F279 K285 Y286 I293 F297M278-A282 VanDerWaalsContact O-CB 3.23Å; M278-A282 WeakPolarHBondContact O-CB 3.38Å; M278-A282 PolarHBondContact O-N 2.93Å; F279-A282 PolarHBondContact O-N 2.87Å; A282-K285 PolarHBondContact O-N 3Å; A282-Y286 WeakPolarHBondContact O-CB 3.46Å; A282-Y286 PolarHBondContact O-N 3.45Å; A282-I293 HydrophobicContact CB-CB 4.14Å; A282-I293 HydrophobicContact CB-CG1 3.81Å; A282-I293 HydrophobicContact CB-CG2 3.76Å; A282-F297 HydrophobicContact CB-CB 3.92Å; A282-F297 HydrophobicContact CB-CD1 3.97Å; A282-F297 HydrophobicContact CB-CD2 3.39Å; A282-F297 HydrophobicContact CB-CE1 4.29Å; A282-F297 HydrophobicContact CB-CE2 3.75Å; A282-F297 HydrophobicContact CB-CG 3.5Å; A282-F297 HydrophobicContact CB-CZ 4.18Å
283L95Very high95.2Very high23 Ų2358.1 Ų58.112%0.1232%0.318CS..Hα-helixtrans-70.3-34.1177.7-162.487.5000111.9F279 E280 E281 G287 F290 I293 Y310 W313F279-L283 HydrophobicContact CE1-CB 4.46Å; F279-L283 HydrophobicContact CE1-CD1 4.22Å; F279-L283 HydrophobicContact CE1-CD2 4.21Å; F279-L283 HydrophobicContact CE2-CD1 4.42Å; F279-L283 HydrophobicContact CZ-CD1 3.79Å; F279-L283 VanDerWaalsContact O-CB 3.25Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 3.48Å; E280-L283 PolarHBondContact O-N 3.1Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.27Å; L283-G287 WeakPolarHBondContact CD1-O 3.41Å; L283-G287 VanDerWaalsContact CG-O 3.31Å; L283-G287 WeakPolarHBondContact CG-O 3.42Å; L283-G287 WeakPolarHBondContact O-CA 3.34Å; L283-G287 PolarHBondContact O-N 2.91Å; L283-F290 HydrophobicContact CD1-CE1 4.28Å; L283-I293 HydrophobicContact CD1-CD1 4.11Å; L283-Y310 HydrophobicContact CD1-CD2 4.04Å; L283-Y310 HydrophobicContact CD1-CE2 4.23Å; L283-W313 HydrophobicContact CD2-CE3 4.25Å; L283-W313 HydrophobicContact CD2-CH2 3.53Å; L283-W313 HydrophobicContact CD2-CZ3 3.33Å
284E92.3Very high95.7Very high126 Ų12658 Ų5859%0.58930%0.299SS*.Hα-helixtrans-74.5-31.6172.4-66.4-149133.500112.6E280 E281 Q322 K326E280-E284 WeakPolarHBondContact O-CG 3.33Å; E280-E284 PolarHBondContact O-N 2.82Å; E281-E284 PolarHBondContact O-N 2.89Å; E284-Q322 PolarHBondContact OE1-NE2 2.75Å; E284-K326 IonicContact OE1-NZ 2.97Å; E284-K326 PolarHBondContact OE1-NZ 2.83Å
285K96.1Very high96Very high115 Ų11560.1 Ų60.150%0.530%0.301SS..Hα-helixtrans-79.1-43.8179-170.9-168.5-178.8-165.90113.9E281 A282 D296 F297E281-K285 VanDerWaalsContact O-CB 3.32Å; E281-K285 WeakPolarHBondContact O-CB 3.37Å; E281-K285 PolarHBondContact O-N 3.25Å; A282-K285 PolarHBondContact O-N 3Å; K285-D296 IonicContact NZ-OD2 2.85Å; K285-F297 HydrophobicContact CD-CE2 3.73Å; K285-F297 HydrophobicContact CD-CZ 3.77Å
286Y96.6Very high96.1Very high69 Ų6963.5 Ų63.527%0.27132%0.32SS..Hα-helixtrans-113.9-0.7-173.3-60.5-39.7000114.1A282 K288 D289 D292 I293 D296 F297A282-Y286 WeakPolarHBondContact O-CB 3.46Å; A282-Y286 PolarHBondContact O-N 3.45Å; Y286-K288 PolarHBondContact O-N 3.47Å; Y286-D289 PolarHBondContact O-N 2.95Å; Y286-D292 HydrophobicContact CD2-CB 3.84Å; Y286-D292 HydrophobicContact CE2-CB 4.12Å; Y286-D292 HydrophobicContact CG-CB 4.11Å; Y286-I293 HydrophobicContact CD2-CG1 4.4Å; Y286-D296 HydrophobicContact CE2-CB 3.97Å; Y286-D296 PolarHBondContact OH-OD2 2.63Å; Y286-F297 HydrophobicContact CD2-CE2 4.26Å; Y286-F297 HydrophobicContact CE2-CD2 4.22Å; Y286-F297 AromaticContact CE2-CE2 3.85Å; Y286-F297 HydrophobicContact CE2-CE2 3.85Å
287G94.3Very high96.3Very high35 Ų3563.8 Ų63.836%0.36132%0.317SS..THydrogen-bonded Turntrans71.7-99.2175.800000112.1L283L283-G287 WeakPolarHBondContact CD1-O 3.41Å; L283-G287 VanDerWaalsContact CG-O 3.31Å; L283-G287 WeakPolarHBondContact CG-O 3.42Å; L283-G287 WeakPolarHBondContact O-CA 3.34Å; L283-G287 PolarHBondContact O-N 2.91Å
288K96.2Very high96.5Very high141 Ų14161 Ų6161%0.61330%0.295SS*.THydrogen-bonded Turntrans-129.816.2-178.2-61.1-177.6-175.7176.80113.1Y286 F290 Y310Y286-K288 PolarHBondContact O-N 3.47Å; K288-F290 HydrophobicContact CB-CE2 4.45Å; K288-F290 HydrophobicContact CB-CZ 4.38Å; K288-F290 WeakPolarHBondContact O-CD2 3.39Å; K288-F290 PolarHBondContact O-N 3Å; K288-F290 VanDerWaalsContact O-N 3.09Å; K288-Y310 VanDerWaalsContact CE-OH 3.24Å; K288-Y310 WeakPolarHBondContact CE-OH 3.42Å
289D97.2Very high96.5Very high72 Ų7262.3 Ų62.339%0.38531%0.307SS..  trans-80.390.5171.3-156.1-43.7000110.3Y286 N291 D292 I293Y286-D289 PolarHBondContact O-N 2.95Å; D289-N291 PolarHBondContact O-N 3.48Å; D289-N291 WeakPolarHBondContact OD1-CB 3.41Å; D289-N291 PolarHBondContact OD1-N 2.57Å; D289-N291 PolarHBondContact OD1-ND2 2.82Å; D289-D292 HydrophobicContact CB-CB 4.39Å; D289-D292 PolarHBondContact O-N 2.51Å; D289-D292 PolarHBondContact OD1-N 2.87Å; D289-I293 VanDerWaalsContact O-CG1 3.31Å; D289-I293 WeakPolarHBondContact O-CG1 3.32Å; D289-I293 PolarHBondContact O-N 3.49Å
290F97.8Very high96.5Very high29 Ų2969.5 Ų69.513%0.12733%0.334CS..Hα-helixtrans-66-15.5-179.6-56.6-64.9000113.2L283 K288 I293 R294 L303 I306 I307 Y310L283-F290 HydrophobicContact CD1-CE1 4.28Å; K288-F290 HydrophobicContact CB-CE2 4.45Å; K288-F290 HydrophobicContact CB-CZ 4.38Å; K288-F290 WeakPolarHBondContact O-CD2 3.39Å; K288-F290 PolarHBondContact O-N 3Å; K288-F290 VanDerWaalsContact O-N 3.09Å; F290-I293 HydrophobicContact CD1-CD1 3.96Å; F290-I293 HydrophobicContact CE1-CD1 4.38Å; F290-R294 VanDerWaalsContact O-CB 3.29Å; F290-R294 WeakPolarHBondContact O-CB 3.03Å; F290-R294 PolarHBondContact O-N 2.8Å; F290-L303 HydrophobicContact CB-CD1 3.59Å; F290-L303 WeakPolarHBondContact O-CD1 3.45Å; F290-I306 HydrophobicContact CB-CG2 4.36Å; F290-I306 HydrophobicContact CD1-CG2 3.86Å; F290-I306 HydrophobicContact CG-CG2 4.48Å; F290-I307 HydrophobicContact CB-CG1 4.27Å; F290-I307 HydrophobicContact CD2-CD1 4.39Å; F290-I307 HydrophobicContact CD2-CG1 3.79Å; F290-I307 HydrophobicContact CE2-CG1 4.3Å; F290-I307 HydrophobicContact CG-CG1 3.99Å; F290-Y310 HydrophobicContact CE1-CD1 4.19Å; F290-Y310 AromaticContact CE1-CD2 3.99Å; F290-Y310 HydrophobicContact CE1-CD2 3.99Å; F290-Y310 AromaticContact CE1-CG 3.76Å; F290-Y310 HydrophobicContact CE1-CG 3.76Å; F290-Y310 HydrophobicContact CE2-CD1 4.35Å; F290-Y310 HydrophobicContact CE2-CE1 4.47Å; F290-Y310 AromaticContact CZ-CD1 3.53Å; F290-Y310 HydrophobicContact CZ-CD1 3.53Å; F290-Y310 AromaticContact CZ-CD2 3.89Å; F290-Y310 HydrophobicContact CZ-CD2 3.89Å; F290-Y310 AromaticContact CZ-CE1 3.78Å; F290-Y310 HydrophobicContact CZ-CE1 3.78Å; F290-Y310 HydrophobicContact CZ-CE2 4.12Å; F290-Y310 AromaticContact CZ-CG 3.57Å; F290-Y310 HydrophobicContact CZ-CG 3.57Å
291N97.7Very high96.7Very high71 Ų7169.3 Ų69.338%0.3833%0.333SS..Hα-helixtrans-75.9-41.3173.9-62.5-78.2000111.6D289 Q295D289-N291 PolarHBondContact O-N 3.48Å; D289-N291 WeakPolarHBondContact OD1-CB 3.41Å; D289-N291 PolarHBondContact OD1-N 2.57Å; D289-N291 PolarHBondContact OD1-ND2 2.82Å; N291-Q295 WeakPolarHBondContact O-CB 3.42Å; N291-Q295 VanDerWaalsContact O-CG 3.29Å; N291-Q295 WeakPolarHBondContact O-CG 3.4Å; N291-Q295 PolarHBondContact O-N 2.77Å; N291-Q295 PolarHBondContact O-NE2 2.89Å
292D97.8Very high96.8Very high68 Ų6866.4 Ų66.436%0.36433%0.327SS..Hα-helixtrans-73.8-38.7177.1-74.1-0.3000110.8Y286 D289 R294 Q295 D296Y286-D292 HydrophobicContact CD2-CB 3.84Å; Y286-D292 HydrophobicContact CE2-CB 4.12Å; Y286-D292 HydrophobicContact CG-CB 4.11Å; D289-D292 HydrophobicContact CB-CB 4.39Å; D289-D292 PolarHBondContact O-N 2.51Å; D289-D292 PolarHBondContact OD1-N 2.87Å; D292-R294 VanDerWaalsContact C-N 3.35Å; D292-R294 PolarHBondContact O-N 3.45Å; D292-Q295 PolarHBondContact O-N 3.18Å; D292-Q295 PolarHBondContact OD1-NE2 2.82Å; D292-D296 PolarHBondContact O-N 2.95Å
293I97.9Very high96.9Very high0 Ų068.8 Ų68.80%034%0.339CS..Hα-helixtrans-56.1-48170.1-67169.3000110.8F279 A282 L283 Y286 D289 F290 F297 L298 I306F279-I293 HydrophobicContact CD2-CG2 4.31Å; A282-I293 HydrophobicContact CB-CB 4.14Å; A282-I293 HydrophobicContact CB-CG1 3.81Å; A282-I293 HydrophobicContact CB-CG2 3.76Å; L283-I293 HydrophobicContact CD1-CD1 4.11Å; Y286-I293 HydrophobicContact CD2-CG1 4.4Å; D289-I293 VanDerWaalsContact O-CG1 3.31Å; D289-I293 WeakPolarHBondContact O-CG1 3.32Å; D289-I293 PolarHBondContact O-N 3.49Å; F290-I293 HydrophobicContact CD1-CD1 3.96Å; F290-I293 HydrophobicContact CE1-CD1 4.38Å; I293-F297 WeakPolarHBondContact O-CB 3.27Å; I293-F297 PolarHBondContact O-N 2.66Å; I293-F297 VanDerWaalsContact O-N 3.1Å; I293-L298 HydrophobicContact CG2-CD1 4.43Å; I293-L298 PolarHBondContact O-N 2.9Å; I293-I306 HydrophobicContact CG2-CG2 4.18Å
294R97.9Very high97Very high85 Ų8572.5 Ų72.532%0.32136%0.363SS..Hα-helixtrans-64-46.7176.9-170.4-173.665179.3-3.4112F290 D292 L298 P299 K301 I306F290-R294 VanDerWaalsContact O-CB 3.29Å; F290-R294 WeakPolarHBondContact O-CB 3.03Å; F290-R294 PolarHBondContact O-N 2.8Å; D292-R294 VanDerWaalsContact C-N 3.35Å; D292-R294 PolarHBondContact O-N 3.45Å; R294-L298 CarbonylContact O-C 3.57Å; R294-L298 PolarHBondContact O-N 2.86Å; R294-P299 WeakPolarHBondContact O-CA 3.25Å; R294-P299 WeakPolarHBondContact O-CD 3.44Å; R294-K301 WeakPolarHBondContact CD-O 3.16Å; R294-I306 HydrophobicContact CB-CD1 3.53Å; R294-I306 HydrophobicContact CG-CD1 3.61Å
295Q97.4Very high97.3Very high116 Ų11666.6 Ų66.654%0.54234%0.335SS..Hα-helixtrans-65.3-42.1-174.7-78.6170.510400113.2N291 D292N291-Q295 WeakPolarHBondContact O-CB 3.42Å; N291-Q295 VanDerWaalsContact O-CG 3.29Å; N291-Q295 WeakPolarHBondContact O-CG 3.4Å; N291-Q295 PolarHBondContact O-N 2.77Å; N291-Q295 PolarHBondContact O-NE2 2.89Å; D292-Q295 PolarHBondContact O-N 3.18Å; D292-Q295 PolarHBondContact OD1-NE2 2.82Å
296D97.5Very high97.3Very high97 Ų9761.1 Ų61.152%0.51931%0.312SS..Hα-helixtrans-95.2-29.4-171-82.314.4000114.5K285 Y286 D292K285-D296 IonicContact NZ-OD2 2.85Å; Y286-D296 HydrophobicContact CE2-CB 3.97Å; Y286-D296 PolarHBondContact OH-OD2 2.63Å; D292-D296 PolarHBondContact O-N 2.95Å
297F97.6Very high97.4Very high25 Ų2560.7 Ų60.711%0.1131%0.313CS..THydrogen-bonded Turntrans-117.4-36.5-172.8-72.7-99.3000114M278 E281 A282 K285 Y286 I293 P299 W300M278-F297 HydrophobicContact CB-CD1 4.27Å; M278-F297 WeakPolarHBondContact O-CD1 3.49Å; E281-F297 HydrophobicContact CB-CE1 4.03Å; E281-F297 HydrophobicContact CG-CE1 3.92Å; E281-F297 HydrophobicContact CG-CZ 4.19Å; A282-F297 HydrophobicContact CB-CB 3.92Å; A282-F297 HydrophobicContact CB-CD1 3.97Å; A282-F297 HydrophobicContact CB-CD2 3.39Å; A282-F297 HydrophobicContact CB-CE1 4.29Å; A282-F297 HydrophobicContact CB-CE2 3.75Å; A282-F297 HydrophobicContact CB-CG 3.5Å; A282-F297 HydrophobicContact CB-CZ 4.18Å; K285-F297 HydrophobicContact CD-CE2 3.73Å; K285-F297 HydrophobicContact CD-CZ 3.77Å; Y286-F297 HydrophobicContact CD2-CE2 4.26Å; Y286-F297 HydrophobicContact CE2-CD2 4.22Å; Y286-F297 AromaticContact CE2-CE2 3.85Å; Y286-F297 HydrophobicContact CE2-CE2 3.85Å; I293-F297 WeakPolarHBondContact O-CB 3.27Å; I293-F297 PolarHBondContact O-N 2.66Å; I293-F297 VanDerWaalsContact O-N 3.1Å; F297-P299 VanDerWaalsContact C-CD 3.43Å; F297-W300 WeakPolarHBondContact O-CH2 3.25Å
298L97.3Very high97.6Very high0 Ų063.2 Ų63.20%032%0.316CS..  trans-132.252.4-171.9-62.3170.6000113.3W271 E275 M278 F279 I293 R294 W300 K301 I306W271-L298 HydrophobicContact CH2-CD1 3.61Å; W271-L298 HydrophobicContact CZ3-CD1 3.49Å; W271-L298 VanDerWaalsContact CZ3-CD1 3.49Å; E275-L298 HydrophobicContact CB-CD2 4.1Å; E275-L298 HydrophobicContact CG-CD2 4.02Å; M278-L298 HydrophobicContact CB-CD2 4.29Å; M278-L298 HydrophobicContact CE-CD2 4.1Å; F279-L298 HydrophobicContact CB-CD1 4.13Å; F279-L298 HydrophobicContact CD2-CD1 4.28Å; I293-L298 HydrophobicContact CG2-CD1 4.43Å; I293-L298 PolarHBondContact O-N 2.9Å; R294-L298 CarbonylContact O-C 3.57Å; R294-L298 PolarHBondContact O-N 2.86Å; L298-W300 HydrophobicContact CD2-CH2 4.39Å; L298-W300 HydrophobicContact CD2-CZ2 3.81Å; L298-W300 PolarHBondContact O-N 3.07Å; L298-W300 VanDerWaalsContact O-N 3.09Å; L298-K301 HydrophobicContact CB-CB 4.39Å; L298-K301 PolarHBondContact O-N 2.87Å; L298-K301 VanDerWaalsContact O-N 3.07Å; L298-I306 HydrophobicContact CB-CD1 4.17Å; L298-I306 HydrophobicContact CD1-CG1 4.44Å
299P97.6Very high97.6Very high82 Ų8256.9 Ų56.953%0.53229%0.288SS..THydrogen-bonded Turntrans-67.9-12.1-171.726.1-35.8000114.8R294 F297R294-P299 WeakPolarHBondContact O-CA 3.25Å; R294-P299 WeakPolarHBondContact O-CD 3.44Å; F297-P299 VanDerWaalsContact C-CD 3.43Å
300W97.3Very high97.6Very high151 Ų15154.1 Ų54.157%0.57227%0.273SS*.THydrogen-bonded Turntrans-91.2-15.6174.258.887.3000114.1E275 M278 F297 L298E275-W300 HydrophobicContact CG-CZ2 4.03Å; E275-W300 PolarHBondContact OE1-NE1 2.98Å; M278-W300 HydrophobicContact CE-CH2 3.73Å; M278-W300 HydrophobicContact CE-CZ2 3.67Å; M278-W300 HydrophobicContact SD-CH2 4.32Å; F297-W300 WeakPolarHBondContact O-CH2 3.25Å; L298-W300 HydrophobicContact CD2-CH2 4.39Å; L298-W300 HydrophobicContact CD2-CZ2 3.81Å; L298-W300 PolarHBondContact O-N 3.07Å; L298-W300 VanDerWaalsContact O-N 3.09Å
301K97.5Very high97.5Very high27 Ų2759.4 Ų59.412%0.11729%0.293CS..SBendtrans-88.2146.4175.1-77.5-63.9-158161.60110.7E267 E270 W271 R294 L298 S305 I306E267-K301 IonicContact OE2-NZ 3.66Å; E267-K301 PolarHBondContact OE2-NZ 3.1Å; E270-K301 IonicContact OE2-NZ 3.15Å; E270-K301 PolarHBondContact OE2-NZ 3.01Å; W271-K301 VanDerWaalsContact CD1-NZ 3.34Å; W271-K301 HydrophobicContact CZ2-CD 4.42Å; W271-K301 HydrophobicContact CZ2-CG 4.15Å; W271-K301 VanDerWaalsContact NE1-CE 3.29Å; R294-K301 WeakPolarHBondContact CD-O 3.16Å; L298-K301 HydrophobicContact CB-CB 4.39Å; L298-K301 PolarHBondContact O-N 2.87Å; L298-K301 VanDerWaalsContact O-N 3.07Å; K301-S305 WeakPolarHBondContact CD-OG 3.33Å; K301-I306 HydrophobicContact CB-CD1 4.11Å; K301-I306 HydrophobicContact CB-CG1 3.94Å
302S97.7Very high97.4Very high63 Ų6357.3 Ų57.344%0.44128%0.281SS..  trans-72159177.7840000111T304 S305 I306S302-T304 VanDerWaalsContact C-N 3.29Å; S302-T304 PolarHBondContact O-N 2.79Å; S302-S305 WeakPolarHBondContact O-CB 3.3Å; S302-S305 PolarHBondContact O-N 2.83Å; S302-S305 WeakPolarHBondContact OG-CB 3.26Å; S302-S305 PolarHBondContact OG-N 2.92Å; S302-I306 WeakPolarHBondContact O-CD1 3.05Å; S302-I306 VanDerWaalsContact O-CG1 3.32Å; S302-I306 WeakPolarHBondContact O-CG1 3.42Å; S302-I306 PolarHBondContact O-N 2.77Å; S302-I306 VanDerWaalsContact O-N 3.16Å
303L97.9Very high97.2Very high49 Ų4954.4 Ų54.426%0.25727%0.265SS..Hα-helixtrans-65.7-37.1177.2-175.762000111.2F290 I306 I307F290-L303 HydrophobicContact CB-CD1 3.59Å; F290-L303 WeakPolarHBondContact O-CD1 3.45Å; L303-I306 PolarHBondContact O-N 2.76Å; L303-I307 HydrophobicContact CD1-CD1 4.33Å; L303-I307 HydrophobicContact CG-CD1 4.01Å; L303-I307 WeakPolarHBondContact O-CD1 3.34Å; L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.24Å; L303-I307 PolarHBondContact O-N 2.98Å; L303-I307 VanDerWaalsContact O-N 3.14Å
304T98Very high97Very high101 Ų10157 Ų5762%0.6228%0.276SS*.Hα-helixtrans-61.3-49.8175.3-42.80000111S302 I306 I307 E308S302-T304 VanDerWaalsContact C-N 3.29Å; S302-T304 PolarHBondContact O-N 2.79Å; T304-I306 VanDerWaalsContact C-N 3.35Å; T304-I306 PolarHBondContact O-N 2.82Å; T304-I307 PolarHBondContact O-N 3.22Å; T304-I307 VanDerWaalsContact O-N 3.07Å; T304-E308 WeakPolarHBondContact O-CB 3.21Å; T304-E308 PolarHBondContact O-N 3.13Å
305S97.4Very high96.8Very high2 Ų258 Ų581%0.01429%0.291CS..Hα-helixtrans-50.8-49.7175.7171.20000112.7E267 K301 S302 I307 E308 Y309E267-S305 VanDerWaalsContact OE1-CA 3.28Å; E267-S305 WeakPolarHBondContact OE1-CA 3.5Å; E267-S305 WeakPolarHBondContact OE1-CB 3.36Å; E267-S305 PolarHBondContact OE1-OG 3.4Å; E267-S305 PolarHBondContact OE2-OG 3.01Å; K301-S305 WeakPolarHBondContact CD-OG 3.33Å; S302-S305 WeakPolarHBondContact O-CB 3.3Å; S302-S305 PolarHBondContact O-N 2.83Å; S302-S305 WeakPolarHBondContact OG-CB 3.26Å; S302-S305 PolarHBondContact OG-N 2.92Å; S305-I307 VanDerWaalsContact C-N 3.34Å; S305-I307 PolarHBondContact O-N 2.99Å; S305-E308 PolarHBondContact O-N 3.23Å; S305-Y309 VanDerWaalsContact O-CB 3.3Å; S305-Y309 WeakPolarHBondContact O-CB 3.46Å; S305-Y309 PolarHBondContact O-N 3.29Å
306I97.9Very high96.4Very high0 Ų054.2 Ų54.20%028%0.276CS..Hα-helixtrans-64.8-37.4179.6-65.3164.7000111.6W271 F279 F290 I293 R294 L298 K301 S302 L303 T304 Y310W271-I306 HydrophobicContact CH2-CB 4.38Å; W271-I306 HydrophobicContact CH2-CG1 3.88Å; W271-I306 HydrophobicContact CZ2-CG1 4.09Å; F279-I306 HydrophobicContact CD2-CG2 4.29Å; F279-I306 HydrophobicContact CE2-CG2 3.96Å; F290-I306 HydrophobicContact CB-CG2 4.36Å; F290-I306 HydrophobicContact CD1-CG2 3.86Å; F290-I306 HydrophobicContact CG-CG2 4.48Å; I293-I306 HydrophobicContact CG2-CG2 4.18Å; R294-I306 HydrophobicContact CB-CD1 3.53Å; R294-I306 HydrophobicContact CG-CD1 3.61Å; L298-I306 HydrophobicContact CB-CD1 4.17Å; L298-I306 HydrophobicContact CD1-CG1 4.44Å; K301-I306 HydrophobicContact CB-CD1 4.11Å; K301-I306 HydrophobicContact CB-CG1 3.94Å; S302-I306 WeakPolarHBondContact O-CD1 3.05Å; S302-I306 VanDerWaalsContact O-CG1 3.32Å; S302-I306 WeakPolarHBondContact O-CG1 3.42Å; S302-I306 PolarHBondContact O-N 2.77Å; S302-I306 VanDerWaalsContact O-N 3.16Å; L303-I306 PolarHBondContact O-N 2.76Å; T304-I306 VanDerWaalsContact C-N 3.35Å; T304-I306 PolarHBondContact O-N 2.82Å; I306-Y310 VanDerWaalsContact O-CB 3.32Å; I306-Y310 WeakPolarHBondContact O-CB 3.41Å; I306-Y310 PolarHBondContact O-N 3.15Å
307I97.9Very high95.9Very high60 Ų6055 Ų5531%0.30828%0.281SS..Hα-helixtrans-70.6-43.7177.4-70167.1000110.7F290 L303 T304 S305 Y310 Y311F290-I307 HydrophobicContact CB-CG1 4.27Å; F290-I307 HydrophobicContact CD2-CD1 4.39Å; F290-I307 HydrophobicContact CD2-CG1 3.79Å; F290-I307 HydrophobicContact CE2-CG1 4.3Å; F290-I307 HydrophobicContact CG-CG1 3.99Å; L303-I307 HydrophobicContact CD1-CD1 4.33Å; L303-I307 HydrophobicContact CG-CD1 4.01Å; L303-I307 WeakPolarHBondContact O-CD1 3.34Å; L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.24Å; L303-I307 PolarHBondContact O-N 2.98Å; L303-I307 VanDerWaalsContact O-N 3.14Å; T304-I307 PolarHBondContact O-N 3.22Å; T304-I307 VanDerWaalsContact O-N 3.07Å; S305-I307 VanDerWaalsContact C-N 3.34Å; S305-I307 PolarHBondContact O-N 2.99Å; I307-Y310 WeakPolarHBondContact O-CB 3.49Å; I307-Y310 PolarHBondContact O-N 3.22Å; I307-Y311 HydrophobicContact CG2-CD2 3.93Å; I307-Y311 HydrophobicContact CG2-CE2 3.88Å; I307-Y311 VanDerWaalsContact O-CD2 3.22Å; I307-Y311 WeakPolarHBondContact O-CD2 3.48Å; I307-Y311 PolarHBondContact O-N 2.72Å; I307-Y311 VanDerWaalsContact O-N 3.07Å
308E97.3Very high95.3Very high88 Ų8861.4 Ų61.441%0.41130%0.304SS..Hα-helixtrans-63.3-49.8178.7-152.4-168.3113.800110.7E267 T304 S305 Y310 Y311 M312E267-E308 HydrophobicContact CG-CB 4.42Å; T304-E308 WeakPolarHBondContact O-CB 3.21Å; T304-E308 PolarHBondContact O-N 3.13Å; S305-E308 PolarHBondContact O-N 3.23Å; E308-Y310 VanDerWaalsContact C-N 3.32Å; E308-Y310 PolarHBondContact O-N 2.78Å; E308-Y311 PolarHBondContact O-N 3.27Å; E308-Y311 VanDerWaalsContact O-N 3.07Å; E308-M312 HydrophobicContact CB-CE 4.24Å; E308-M312 HydrophobicContact CG-CE 3.57Å; E308-M312 PolarHBondContact O-N 2.8Å; E308-M312 VanDerWaalsContact O-N 3.07Å; E308-M312 WeakPolarHBondContact OE1-CE 3.11Å
309Y96.7Very high94.9Very high9 Ų963.6 Ų63.64%0.03531%0.313CS..Hα-helixtrans-53.5-46.6172.1-177.9-93.4000111.8E267 M268 W271 A276 F279 S305 Y311 M312 W313E267-Y309 WeakPolarHBondContact O-CD2 3.44Å; M268-Y309 HydrophobicContact CE-CD2 4.06Å; M268-Y309 HydrophobicContact CE-CE2 3.61Å; M268-Y309 HydrophobicContact SD-CE2 4.26Å; W271-Y309 HydrophobicContact CB-CD2 4.19Å; W271-Y309 HydrophobicContact CB-CE2 3.88Å; W271-Y309 AromaticContact CD1-CD2 3.98Å; W271-Y309 HydrophobicContact CD2-CD1 4.26Å; W271-Y309 AromaticContact CD2-CD2 3.48Å; W271-Y309 HydrophobicContact CD2-CD2 3.48Å; W271-Y309 VanDerWaalsContact CD2-CD2 3.48Å; W271-Y309 AromaticContact CD2-CE2 3.83Å; W271-Y309 HydrophobicContact CD2-CE2 3.83Å; W271-Y309 AromaticContact CD2-CG 3.74Å; W271-Y309 HydrophobicContact CD2-CG 3.74Å; W271-Y309 AromaticContact CE2-CD2 3.73Å; W271-Y309 AromaticContact CE2-CG 3.68Å; W271-Y309 AromaticContact CE3-CD1 3.91Å; W271-Y309 HydrophobicContact CE3-CD1 3.91Å; W271-Y309 AromaticContact CE3-CD2 3.88Å; W271-Y309 HydrophobicContact CE3-CD2 3.88Å; W271-Y309 AromaticContact CE3-CE1 3.98Å; W271-Y309 HydrophobicContact CE3-CE1 3.98Å; W271-Y309 AromaticContact CE3-CE2 3.95Å; W271-Y309 HydrophobicContact CE3-CE2 3.95Å; W271-Y309 AromaticContact CE3-CG 3.88Å; W271-Y309 HydrophobicContact CE3-CG 3.88Å; W271-Y309 AromaticContact CG-CD2 3.65Å; W271-Y309 HydrophobicContact CG-CD2 3.65Å; W271-Y309 AromaticContact CG-CE2 3.84Å; W271-Y309 HydrophobicContact CG-CE2 3.84Å; W271-Y309 HydrophobicContact CG-CG 4.37Å; W271-Y309 AromaticContact CH2-CD1 3.89Å; W271-Y309 HydrophobicContact CH2-CD1 3.89Å; W271-Y309 AromaticContact CH2-CG 3.89Å; W271-Y309 HydrophobicContact CH2-CG 3.89Å; W271-Y309 HydrophobicContact CZ2-CD1 4.26Å; W271-Y309 HydrophobicContact CZ2-CD2 4.31Å; W271-Y309 AromaticContact CZ2-CG 3.77Å; W271-Y309 HydrophobicContact CZ2-CG 3.77Å; W271-Y309 AromaticContact CZ3-CD1 3.72Å; W271-Y309 HydrophobicContact CZ3-CD1 3.72Å; W271-Y309 HydrophobicContact CZ3-CD2 4.43Å; W271-Y309 HydrophobicContact CZ3-CE1 4.04Å; W271-Y309 AromaticContact CZ3-CG 3.95Å; W271-Y309 HydrophobicContact CZ3-CG 3.95Å; W271-Y309 AromaticContact NE1-CD2 3.98Å; A276-Y309 VanDerWaalsContact CB-OH 3.28Å; A276-Y309 WeakPolarHBondContact CB-OH 3.42Å; F279-Y309 HydrophobicContact CB-CE1 4.38Å; F279-Y309 HydrophobicContact CD1-CD1 4.02Å; F279-Y309 AromaticContact CD1-CE1 3.65Å; F279-Y309 HydrophobicContact CD1-CE1 3.65Å; F279-Y309 HydrophobicContact CD2-CD1 4.19Å; F279-Y309 HydrophobicContact CE1-CD1 4.11Å; F279-Y309 HydrophobicContact CE1-CE1 4.03Å; F279-Y309 HydrophobicContact CE2-CD1 4.28Å; F279-Y309 HydrophobicContact CG-CD1 4.07Å; F279-Y309 AromaticContact CG-CE1 3.92Å; F279-Y309 HydrophobicContact CG-CE1 3.92Å; F279-Y309 HydrophobicContact CZ-CD1 4.25Å; S305-Y309 VanDerWaalsContact O-CB 3.3Å; S305-Y309 WeakPolarHBondContact O-CB 3.46Å; S305-Y309 PolarHBondContact O-N 3.29Å; Y309-Y311 VanDerWaalsContact C-N 3.33Å; Y309-Y311 PolarHBondContact O-N 2.81Å; Y309-M312 PolarHBondContact O-N 3.2Å; Y309-W313 HydrophobicContact CD1-CB 4.28Å; Y309-W313 HydrophobicContact CE1-CB 3.95Å; Y309-W313 HydrophobicContact CE1-CG 4.13Å; Y309-W313 WeakPolarHBondContact O-CB 3.38Å; Y309-W313 PolarHBondContact O-N 2.65Å
310Y97Very high94.5Very high14 Ų1461.7 Ų61.76%0.05530%0.299CS..Hα-helixtrans-57.6-41.1176.1163.2-103.1000113.1F279 L283 K288 F290 I306 I307 E308 K314F279-Y310 HydrophobicContact CZ-CD2 4.04Å; F279-Y310 HydrophobicContact CZ-CG 4.36Å; L283-Y310 HydrophobicContact CD1-CD2 4.04Å; L283-Y310 HydrophobicContact CD1-CE2 4.23Å; K288-Y310 VanDerWaalsContact CE-OH 3.24Å; K288-Y310 WeakPolarHBondContact CE-OH 3.42Å; F290-Y310 HydrophobicContact CE1-CD1 4.19Å; F290-Y310 AromaticContact CE1-CD2 3.99Å; F290-Y310 HydrophobicContact CE1-CD2 3.99Å; F290-Y310 AromaticContact CE1-CG 3.76Å; F290-Y310 HydrophobicContact CE1-CG 3.76Å; F290-Y310 HydrophobicContact CE2-CD1 4.35Å; F290-Y310 HydrophobicContact CE2-CE1 4.47Å; F290-Y310 AromaticContact CZ-CD1 3.53Å; F290-Y310 HydrophobicContact CZ-CD1 3.53Å; F290-Y310 AromaticContact CZ-CD2 3.89Å; F290-Y310 HydrophobicContact CZ-CD2 3.89Å; F290-Y310 AromaticContact CZ-CE1 3.78Å; F290-Y310 HydrophobicContact CZ-CE1 3.78Å; F290-Y310 HydrophobicContact CZ-CE2 4.12Å; F290-Y310 AromaticContact CZ-CG 3.57Å; F290-Y310 HydrophobicContact CZ-CG 3.57Å; I306-Y310 VanDerWaalsContact O-CB 3.32Å; I306-Y310 WeakPolarHBondContact O-CB 3.41Å; I306-Y310 PolarHBondContact O-N 3.15Å; I307-Y310 WeakPolarHBondContact O-CB 3.49Å; I307-Y310 PolarHBondContact O-N 3.22Å; E308-Y310 VanDerWaalsContact C-N 3.32Å; E308-Y310 PolarHBondContact O-N 2.78Å; Y310-K314 HydrophobicContact CD1-CD 4.21Å; Y310-K314 HydrophobicContact CD2-CD 4.14Å; Y310-K314 HydrophobicContact CD2-CG 4.49Å; Y310-K314 HydrophobicContact CE1-CD 3.7Å; Y310-K314 HydrophobicContact CE2-CD 3.62Å; Y310-K314 HydrophobicContact CE2-CG 4.21Å; Y310-K314 HydrophobicContact CG-CD 4.44Å; Y310-K314 WeakPolarHBondContact O-CG 3.48Å; Y310-K314 PolarHBondContact O-N 3.47Å
311Y97.1Very high94.1Very high140 Ų14059.6 Ų59.655%0.54930%0.296SS..Hα-helixtrans-70.1-37.3179.8-84.8-75.6000112.5I307 E308 Y309I307-Y311 HydrophobicContact CG2-CD2 3.93Å; I307-Y311 HydrophobicContact CG2-CE2 3.88Å; I307-Y311 VanDerWaalsContact O-CD2 3.22Å; I307-Y311 WeakPolarHBondContact O-CD2 3.48Å; I307-Y311 PolarHBondContact O-N 2.72Å; I307-Y311 VanDerWaalsContact O-N 3.07Å; E308-Y311 PolarHBondContact O-N 3.27Å; E308-Y311 VanDerWaalsContact O-N 3.07Å; Y309-Y311 VanDerWaalsContact C-N 3.33Å; Y309-Y311 PolarHBondContact O-N 2.81Å
312M94.4Very high93.6Very high26 Ų2660.6 Ų60.613%0.12830%0.301CS..Hα-helixtrans-70.4-44.5171.8-61.3-175.7-127.800112.3R230 D266 E267 M268 E308 Y309 K314 T315R230-M312 PolarHBondContact NH2-SD 3.03Å; D266-M312 HydrophobicContact CB-CE 3.91Å; D266-M312 HydrophobicContact CB-SD 4Å; D266-M312 VanDerWaalsContact CG-SD 3.55Å; E267-M312 HydrophobicContact CB-CE 3.91Å; M268-M312 HydrophobicContact CB-CB 3.86Å; M268-M312 HydrophobicContact CB-CG 4.33Å; M268-M312 HydrophobicContact CB-SD 3.44Å; M268-M312 WeakPolarHBondContact CB-SD 3.44Å; M268-M312 HydrophobicContact CE-CB 3.92Å; M268-M312 HydrophobicContact CG-CB 4.44Å; E308-M312 HydrophobicContact CB-CE 4.24Å; E308-M312 HydrophobicContact CG-CE 3.57Å; E308-M312 PolarHBondContact O-N 2.8Å; E308-M312 VanDerWaalsContact O-N 3.07Å; E308-M312 WeakPolarHBondContact OE1-CE 3.11Å; Y309-M312 PolarHBondContact O-N 3.2Å; M312-K314 PolarHBondContact O-N 3.03Å; M312-K314 VanDerWaalsContact O-N 3.14Å; M312-T315 PolarHBondContact O-N 2.7Å; M312-T315 PolarHBondContact O-OG1 2.96Å
313W94.1Very high93.2Very high7 Ų763.7 Ų63.73%0.02731%0.306CS..Hα-helixtrans-58.8-31.2-179.2176.487.5000111.9M268 F279 E280 L283 Y309 T315 T316 Y319M268-W313 HydrophobicContact CE-CB 3.69Å; M268-W313 VanDerWaalsContact CE-N 3.34Å; F279-W313 HydrophobicContact CE1-CD2 4.04Å; F279-W313 HydrophobicContact CE1-CE3 4.05Å; F279-W313 HydrophobicContact CE1-CG 4.33Å; E280-W313 HydrophobicContact CG-CZ2 3.67Å; E280-W313 PolarHBondContact OE1-NE1 3.02Å; L283-W313 HydrophobicContact CD2-CE3 4.25Å; L283-W313 HydrophobicContact CD2-CH2 3.53Å; L283-W313 HydrophobicContact CD2-CZ3 3.33Å; Y309-W313 HydrophobicContact CD1-CB 4.28Å; Y309-W313 HydrophobicContact CE1-CB 3.95Å; Y309-W313 HydrophobicContact CE1-CG 4.13Å; Y309-W313 WeakPolarHBondContact O-CB 3.38Å; Y309-W313 PolarHBondContact O-N 2.65Å; W313-T315 PolarHBondContact O-N 3.41Å; W313-T316 WeakPolarHBondContact O-CB 3.46Å; W313-T316 WeakPolarHBondContact O-CG2 3.36Å; W313-T316 PolarHBondContact O-N 2.83Å; W313-T316 VanDerWaalsContact O-N 3.07Å; W313-T316 PolarHBondContact O-OG1 2.95Å; W313-Y319 AromaticContact CE3-CD2 3.95Å; W313-Y319 HydrophobicContact CE3-CD2 3.95Å; W313-Y319 HydrophobicContact CE3-CG 4.31Å; W313-Y319 AromaticContact CH2-CD2 3.51Å; W313-Y319 HydrophobicContact CH2-CD2 3.51Å; W313-Y319 HydrophobicContact CH2-CE2 4.31Å; W313-Y319 HydrophobicContact CH2-CG 4.32Å; W313-Y319 HydrophobicContact CZ2-CD2 4.38Å; W313-Y319 AromaticContact CZ3-CD2 3.24Å; W313-Y319 HydrophobicContact CZ3-CD2 3.24Å; W313-Y319 AromaticContact CZ3-CE2 3.82Å; W313-Y319 HydrophobicContact CZ3-CE2 3.82Å; W313-Y319 HydrophobicContact CZ3-CG 4.02Å; W313-Y319 WeakPolarHBondContact O-CB 3.28Å
314K94.6Very high92.9Very high56 Ų5669.3 Ų69.324%0.24332%0.324CS..THydrogen-bonded Turntrans-63.2-11.4171.4-82.9170.444-91.10115.9Y310 M312 Y319Y310-K314 HydrophobicContact CD1-CD 4.21Å; Y310-K314 HydrophobicContact CD2-CD 4.14Å; Y310-K314 HydrophobicContact CD2-CG 4.49Å; Y310-K314 HydrophobicContact CE1-CD 3.7Å; Y310-K314 HydrophobicContact CE2-CD 3.62Å; Y310-K314 HydrophobicContact CE2-CG 4.21Å; Y310-K314 HydrophobicContact CG-CD 4.44Å; Y310-K314 WeakPolarHBondContact O-CG 3.48Å; Y310-K314 PolarHBondContact O-N 3.47Å; M312-K314 PolarHBondContact O-N 3.03Å; M312-K314 VanDerWaalsContact O-N 3.14Å; K314-Y319 HydrophobicContact CB-CD1 4.12Å; K314-Y319 HydrophobicContact CB-CE1 4.06Å; K314-Y319 HydrophobicContact CG-CD1 4.18Å; K314-Y319 HydrophobicContact CG-CE1 3.85Å; K314-Y319 HydrophobicContact CG-CE2 4.22Å; K314-Y319 HydrophobicContact CG-CG 4.48Å; K314-Y319 WeakPolarHBondContact O-CD1 3.23Å
315T92Very high92.5Very high104 Ų10470.5 Ų70.564%0.63833%0.326SS*.THydrogen-bonded Turntrans-95.1-11.5172.271.30000112.8M312 W313M312-T315 PolarHBondContact O-N 2.7Å; M312-T315 PolarHBondContact O-OG1 2.96Å; W313-T315 PolarHBondContact O-N 3.41Å
316T88.7Confident92.1Very high37 Ų3775 Ų7523%0.22735%0.346CS..SBendtrans-66.3145.3-179.567.80000112.4M268 W313 R318 Y319 V320M268-T316 HydrophobicContact CE-CG2 4.26Å; M268-T316 HydrophobicContact SD-CG2 4.26Å; W313-T316 WeakPolarHBondContact O-CB 3.46Å; W313-T316 WeakPolarHBondContact O-CG2 3.36Å; W313-T316 PolarHBondContact O-N 2.83Å; W313-T316 VanDerWaalsContact O-N 3.07Å; W313-T316 PolarHBondContact O-OG1 2.95Å; T316-R318 PolarHBondContact O-N 3.33Å; T316-Y319 PolarHBondContact O-N 3.19Å; T316-Y319 VanDerWaalsContact O-N 3.16Å; T316-Y319 PolarHBondContact OG1-N 2.88Å; T316-V320 WeakPolarHBondContact O-CG2 3.48Å; T316-V320 PolarHBondContact O-N 3.27Å
317D87.2Confident91.5Very high115 Ų11577.5 Ų77.562%0.61537%0.366SS*.Hα-helixtrans-54.9-34.8172.7-82.7-58.4000112.5V320 Q321D317-V320 PolarHBondContact O-N 3.21Å; D317-Q321 VanDerWaalsContact O-CB 3.29Å; D317-Q321 WeakPolarHBondContact O-CB 3.43Å; D317-Q321 WeakPolarHBondContact O-CG 3.35Å; D317-Q321 PolarHBondContact O-N 3.27Å
318R85.5Confident91Very high159 Ų15977.5 Ų77.560%0.638%0.375SS*.Hα-helixtrans-59.2-49.8177.3-175.1173.1173.394.6-1.9111.6E280 T316 Q322E280-R318 VanDerWaalsContact OE1-CD 3.28Å; E280-R318 WeakPolarHBondContact OE1-CD 3.38Å; E280-R318 IonicContact OE1-CZ 2.75Å; E280-R318 IonicContact OE1-NE 3.52Å; E280-R318 PolarHBondContact OE1-NE 2.92Å; E280-R318 IonicContact OE2-CZ 2.76Å; E280-R318 IonicContact OE2-NE 2.83Å; E280-R318 PolarHBondContact OE2-NE 3.43Å; E280-R318 IonicContact OE2-NH2 2.64Å; E280-R318 PolarHBondContact OE2-NH2 2.84Å; T316-R318 PolarHBondContact O-N 3.33Å; R318-Q322 WeakPolarHBondContact O-CB 3.41Å; R318-Q322 PolarHBondContact O-N 3.36Å
319Y88.9Confident90.6Very high46 Ų4679.1 Ų79.118%0.1838%0.383CS..Hα-helixtrans-64.9-43.2173.7173.8-102.5000112.2W313 K314 T316 Q321 Q322 K323W313-Y319 AromaticContact CE3-CD2 3.95Å; W313-Y319 HydrophobicContact CE3-CD2 3.95Å; W313-Y319 HydrophobicContact CE3-CG 4.31Å; W313-Y319 AromaticContact CH2-CD2 3.51Å; W313-Y319 HydrophobicContact CH2-CD2 3.51Å; W313-Y319 HydrophobicContact CH2-CE2 4.31Å; W313-Y319 HydrophobicContact CH2-CG 4.32Å; W313-Y319 HydrophobicContact CZ2-CD2 4.38Å; W313-Y319 AromaticContact CZ3-CD2 3.24Å; W313-Y319 HydrophobicContact CZ3-CD2 3.24Å; W313-Y319 AromaticContact CZ3-CE2 3.82Å; W313-Y319 HydrophobicContact CZ3-CE2 3.82Å; W313-Y319 HydrophobicContact CZ3-CG 4.02Å; W313-Y319 WeakPolarHBondContact O-CB 3.28Å; K314-Y319 HydrophobicContact CB-CD1 4.12Å; K314-Y319 HydrophobicContact CB-CE1 4.06Å; K314-Y319 HydrophobicContact CG-CD1 4.18Å; K314-Y319 HydrophobicContact CG-CE1 3.85Å; K314-Y319 HydrophobicContact CG-CE2 4.22Å; K314-Y319 HydrophobicContact CG-CG 4.48Å; K314-Y319 WeakPolarHBondContact O-CD1 3.23Å; T316-Y319 PolarHBondContact O-N 3.19Å; T316-Y319 VanDerWaalsContact O-N 3.16Å; T316-Y319 PolarHBondContact OG1-N 2.88Å; Y319-Q321 VanDerWaalsContact C-N 3.31Å; Y319-Q321 PolarHBondContact O-N 2.79Å; Y319-Q322 PolarHBondContact O-N 2.85Å; Y319-K323 HydrophobicContact CE1-CD 3.95Å; Y319-K323 VanDerWaalsContact O-CB 3.28Å; Y319-K323 WeakPolarHBondContact O-CB 3.45Å; Y319-K323 PolarHBondContact O-N 2.83Å
320V90.3Very high89.9Confident41 Ų4181.1 Ų81.125%0.24840%0.401CS..Hα-helixtrans-61.8-40.3-179.8172.80000111.2T316 D317 R324T316-V320 WeakPolarHBondContact O-CG2 3.48Å; T316-V320 PolarHBondContact O-N 3.27Å; D317-V320 PolarHBondContact O-N 3.21Å; V320-R324 WeakPolarHBondContact O-CB 3.35Å; V320-R324 VanDerWaalsContact O-CG 3.24Å; V320-R324 WeakPolarHBondContact O-CG 3.48Å; V320-R324 PolarHBondContact O-N 2.95Å
321Q88.8Confident89.1Confident107 Ų10786.7 Ų86.750%0.543%0.428SS..Hα-helixtrans-65.4-49.6173-71.5171.425.900111.6D317 Y319 K323 R324 L325D317-Q321 VanDerWaalsContact O-CB 3.29Å; D317-Q321 WeakPolarHBondContact O-CB 3.43Å; D317-Q321 WeakPolarHBondContact O-CG 3.35Å; D317-Q321 PolarHBondContact O-N 3.27Å; Y319-Q321 VanDerWaalsContact C-N 3.31Å; Y319-Q321 PolarHBondContact O-N 2.79Å; Q321-K323 VanDerWaalsContact C-N 3.26Å; Q321-K323 PolarHBondContact O-N 2.71Å; Q321-R324 WeakPolarHBondContact O-CB 3.45Å; Q321-R324 PolarHBondContact O-N 2.7Å; Q321-R324 VanDerWaalsContact O-N 3.08Å; Q321-L325 WeakPolarHBondContact O-CG 3.43Å; Q321-L325 PolarHBondContact O-N 3.33Å
322Q87.1Confident88.2Confident48 Ų4884.5 Ų84.522%0.22443%0.433CS..Hα-helixtrans-56.7-40.4177.1-165-154.44000111.7E284 R318 Y319 L325 K326E284-Q322 PolarHBondContact OE1-NE2 2.75Å; R318-Q322 WeakPolarHBondContact O-CB 3.41Å; R318-Q322 PolarHBondContact O-N 3.36Å; Y319-Q322 PolarHBondContact O-N 2.85Å; Q322-L325 PolarHBondContact O-N 3.36Å; Q322-K326 HydrophobicContact CG-CD 4.31Å; Q322-K326 WeakPolarHBondContact O-CB 3.39Å; Q322-K326 WeakPolarHBondContact O-CG 3.39Å; Q322-K326 PolarHBondContact O-N 3.36Å
323K89.3Confident87.8Confident128 Ų12887.4 Ų87.456%0.55745%0.445SS*.Hα-helixtrans-67.9-40.5175-176.4179.6175-174.90112.6Y319 Q321 A327Y319-K323 HydrophobicContact CE1-CD 3.95Å; Y319-K323 VanDerWaalsContact O-CB 3.28Å; Y319-K323 WeakPolarHBondContact O-CB 3.45Å; Y319-K323 PolarHBondContact O-N 2.83Å; Q321-K323 VanDerWaalsContact C-N 3.26Å; Q321-K323 PolarHBondContact O-N 2.71Å; K323-A327 VanDerWaalsContact O-CB 3.31Å; K323-A327 WeakPolarHBondContact O-CB 3.3Å; K323-A327 PolarHBondContact O-N 3.03Å
324R91.1Very high87.5Confident168 Ų16889.8 Ų89.863%0.63446%0.458SS*.Hα-helixtrans-63-42.1173.7-75.9169.6-177169.35.2111.5V320 Q321 A327 A328V320-R324 WeakPolarHBondContact O-CB 3.35Å; V320-R324 VanDerWaalsContact O-CG 3.24Å; V320-R324 WeakPolarHBondContact O-CG 3.48Å; V320-R324 PolarHBondContact O-N 2.95Å; Q321-R324 WeakPolarHBondContact O-CB 3.45Å; Q321-R324 PolarHBondContact O-N 2.7Å; Q321-R324 VanDerWaalsContact O-N 3.08Å; R324-A327 PolarHBondContact O-N 3.03Å; R324-A328 PolarHBondContact O-N 3.27Å
325L89.6Confident87.4Confident125 Ų12592.4 Ų92.465%0.65447%0.469SS*.Hα-helixtrans-63.9-50.9176.2-69.2171.6000111.7Q321 Q322 A327 A328 E329Q321-L325 WeakPolarHBondContact O-CG 3.43Å; Q321-L325 PolarHBondContact O-N 3.33Å; Q322-L325 PolarHBondContact O-N 3.36Å; L325-A327 PolarHBondContact O-N 3.04Å; L325-A328 PolarHBondContact O-N 2.75Å; L325-A328 VanDerWaalsContact O-N 3.11Å; L325-E329 PolarHBondContact O-N 3.45Å
326K87.8Confident87.5Confident98 Ų9891.4 Ų91.443%0.42646%0.457SS..Hα-helixtrans-60.9-30.1176.3-71.5173179174.80112.2E284 Q322 A330E284-K326 IonicContact OE1-NZ 2.97Å; E284-K326 PolarHBondContact OE1-NZ 2.83Å; Q322-K326 HydrophobicContact CG-CD 4.31Å; Q322-K326 WeakPolarHBondContact O-CB 3.39Å; Q322-K326 WeakPolarHBondContact O-CG 3.39Å; Q322-K326 PolarHBondContact O-N 3.36Å; K326-A330 WeakPolarHBondContact O-CB 3.26Å; K326-A330 PolarHBondContact O-N 2.84Å; K326-A330 VanDerWaalsContact O-N 3.17Å
327A85.8Confident87.7Confident52 Ų5290.5 Ų90.543%0.4345%0.452SS..Hα-helixtrans-72.2-44171.700000113K323 R324 L325 E329 A330 E331K323-A327 VanDerWaalsContact O-CB 3.31Å; K323-A327 WeakPolarHBondContact O-CB 3.3Å; K323-A327 PolarHBondContact O-N 3.03Å; R324-A327 PolarHBondContact O-N 3.03Å; L325-A327 PolarHBondContact O-N 3.04Å; A327-E329 VanDerWaalsContact C-N 3.33Å; A327-E329 PolarHBondContact O-N 3.22Å; A327-A330 PolarHBondContact O-N 2.9Å; A327-E331 VanDerWaalsContact O-CG 3.27Å; A327-E331 WeakPolarHBondContact O-CG 3.41Å; A327-E331 PolarHBondContact O-N 3.03Å
328A88.7Confident88Confident60 Ų6090.7 Ų90.750%0.49645%0.445SS..Hα-helixtrans-63.6-38.2176.300000112.3R324 L325 E331 S332R324-A328 PolarHBondContact O-N 3.27Å; L325-A328 PolarHBondContact O-N 2.75Å; L325-A328 VanDerWaalsContact O-N 3.11Å; A328-E331 PolarHBondContact O-N 3.39Å; A328-S332 PolarHBondContact O-N 2.61Å; A328-S332 VanDerWaalsContact O-N 3.08Å
329E87.1Confident88.3Confident121 Ų12183.8 Ų83.857%0.56542%0.419SS*.Hα-helixtrans-59.7-48.5171.3-169.1-161.4152.100110.9L325 A327 E331 S332L325-E329 PolarHBondContact O-N 3.45Å; A327-E329 VanDerWaalsContact C-N 3.33Å; A327-E329 PolarHBondContact O-N 3.22Å; E329-E331 VanDerWaalsContact C-N 3.28Å; E329-E331 PolarHBondContact O-N 3.34Å; E329-S332 WeakPolarHBondContact O-CB 3.47Å; E329-S332 PolarHBondContact O-N 3.3Å; E329-S332 VanDerWaalsContact O-N 3.12Å; E329-S332 PolarHBondContact O-OG 3.5Å
330A81.9Confident88.3Confident52 Ų5286 Ų8643%0.4344%0.439SS..Hα-helixtrans-63.8-31.9176.100000113.1K326 A327 S332 K333K326-A330 WeakPolarHBondContact O-CB 3.26Å; K326-A330 PolarHBondContact O-N 2.84Å; K326-A330 VanDerWaalsContact O-N 3.17Å; A327-A330 PolarHBondContact O-N 2.9Å; A330-S332 VanDerWaalsContact C-N 3.31Å; A330-K333 WeakPolarHBondContact O-CB 3.43Å; A330-K333 PolarHBondContact O-N 2.81Å
331E80.6Confident87.9Confident131 Ų13188.6 Ų88.661%0.61246%0.456SS*.Hα-helixtrans-69.5-27.1174.3-72.1-118.692.800113.5A327 A328 E329 K333 K335A327-E331 VanDerWaalsContact O-CG 3.27Å; A327-E331 WeakPolarHBondContact O-CG 3.41Å; A327-E331 PolarHBondContact O-N 3.03Å; A328-E331 PolarHBondContact O-N 3.39Å; E329-E331 VanDerWaalsContact C-N 3.28Å; E329-E331 PolarHBondContact O-N 3.34Å; E331-K333 VanDerWaalsContact C-N 3.3Å; E331-K335 WeakPolarHBondContact O-CE 3.19Å; E331-K335 PolarHBondContact O-NZ 3.46Å; E331-K335 IonicContact OE1-NZ 2.69Å; E331-K335 PolarHBondContact OE1-NZ 3.02Å
332S79.2Confident87.2Confident94 Ų9488.9 Ų88.966%0.65745%0.453SS*.Hα-helixtrans-73.7-17.5177.781.50000114A328 E329 A330A328-S332 PolarHBondContact O-N 2.61Å; A328-S332 VanDerWaalsContact O-N 3.08Å; E329-S332 WeakPolarHBondContact O-CB 3.47Å; E329-S332 PolarHBondContact O-N 3.3Å; E329-S332 VanDerWaalsContact O-N 3.12Å; E329-S332 PolarHBondContact O-OG 3.5Å; A330-S332 VanDerWaalsContact C-N 3.31Å
333K84.9Confident86.5Confident86 Ų8693.4 Ų93.437%0.37448%0.479SS..SBendtrans-62.7151.4177.6-65-173.9171.8-172.80111.8E29 A330 E331 K335E29-K333 IonicContact OE1-NZ 3.89Å; E29-K333 PolarHBondContact OE1-NZ 3.06Å; A330-K333 WeakPolarHBondContact O-CB 3.43Å; A330-K333 PolarHBondContact O-N 2.81Å; E331-K333 VanDerWaalsContact C-N 3.3Å; K333-K335 PolarHBondContact O-N 3.21Å; K333-K335 VanDerWaalsContact O-N 3.09Å
334L89.3Confident85.9Confident58 Ų5893.9 Ų93.930%0.30448%0.481SS..BIsolated β-bridgetrans-66.1113.9-179.1-74.3173.6000110.8L30 K32 V38L30-L334 HydrophobicContact CB-CB 3.72Å; L30-L334 WeakPolarHBondContact CB-O 3.36Å; L30-L334 WeakPolarHBondContact O-CB 3.45Å; K32-L334 HydrophobicContact CB-CD1 3.86Å; K32-L334 HydrophobicContact CG-CD1 4.47Å; V38-L334 HydrophobicContact CB-CD1 4.42Å; V38-L334 HydrophobicContact CG1-CD1 3.85Å; V38-L334 HydrophobicContact CG2-CD1 3.67Å
335K92.1Very high85.1Confident111 Ų11191.4 Ų91.448%0.48349%0.486SS..SBendtrans-86-14.9174.1-64.9167.3-178.1168.70112.3V8 E331 K333V8-K335 PolarHBondContact N-O 3.3Å; E331-K335 WeakPolarHBondContact O-CE 3.19Å; E331-K335 PolarHBondContact O-NZ 3.46Å; E331-K335 IonicContact OE1-NZ 2.69Å; E331-K335 PolarHBondContact OE1-NZ 3.02Å; K333-K335 PolarHBondContact O-N 3.21Å; K333-K335 VanDerWaalsContact O-N 3.09Å
336Q92.8Very high84.8Confident83 Ų8387.1 Ų87.139%0.38846%0.464SS..EExtended strand (participates in β ladder)trans-154.9157.9177.768.8-172.710.100112.6M5 Y6 R7M5-Q336 HydrophobicContact SD-CB 4.09Å; M5-Q336 HydrophobicContact SD-CG 3.97Å; Y6-Q336 CarbonylContact O-C 3.2Å; Y6-Q336 WeakPolarHBondContact O-CA 3.43Å; Y6-Q336 WeakPolarHBondContact O-CB 3.38Å; R7-Q336 HydrophobicContact CG-CB 4.2Å; R7-Q336 VanDerWaalsContact CZ-OE1 3.25Å; R7-Q336 VanDerWaalsContact NH2-OE1 3.12Å
337V94.3Very high84.6Confident18 Ų1887.1 Ų87.111%0.10947%0.474CS..EExtended strand (participates in β ladder)trans-140.5139.7174.963.40000111.1Y6 L30 V38 A102 I339Y6-V337 PolarHBondContact N-O 2.8Å; Y6-V337 PolarHBondContact O-N 3.33Å; L30-V337 HydrophobicContact CD1-CB 4.11Å; L30-V337 HydrophobicContact CD1-CG1 3.83Å; L30-V337 HydrophobicContact CD2-CG1 3.95Å; V38-V337 HydrophobicContact CB-CG2 4.18Å; V38-V337 HydrophobicContact CG1-CB 4.37Å; V38-V337 HydrophobicContact CG1-CG2 4.08Å; V38-V337 HydrophobicContact CG2-CG2 4.12Å; A102-V337 HydrophobicContact CB-CG1 4.45Å; V337-I339 HydrophobicContact CG1-CD1 4.22Å; V337-I339 HydrophobicContact CG1-CG1 4.29Å; V337-I339 HydrophobicContact CG2-CG1 4.33Å
338Y93.6Very high84.6Confident119 Ų11986 Ų8647%0.46746%0.461SS..EExtended strand (participates in β ladder)trans-95.9133.4170.4179.6-95.6000110.3N4 M5 P340N4-Y338 HydrophobicContact CB-CD2 3.94Å; N4-Y338 HydrophobicContact CB-CE2 3.42Å; N4-Y338 VanDerWaalsContact CB-CE2 3.42Å; N4-Y338 WeakPolarHBondContact O-CA 3.41Å; M5-Y338 HydrophobicContact CE-CD2 4.27Å; Y338-P340 HydrophobicContact CD1-CG 4.42Å; Y338-P340 HydrophobicContact CE1-CG 4.11Å
339I91.7Very high84.5Confident13 Ų1387.5 Ų87.57%0.06746%0.457CS..  trans-124.1113-176.9-56.6175000109.1N4 Y6 A102 I105 V337N4-I339 WeakPolarHBondContact CB-O 3.45Å; N4-I339 PolarHBondContact ND2-O 3.07Å; N4-I339 PolarHBondContact O-N 2.84Å; Y6-I339 HydrophobicContact CD2-CB 4.22Å; Y6-I339 HydrophobicContact CD2-CD1 3.59Å; Y6-I339 HydrophobicContact CD2-CG1 3.92Å; Y6-I339 HydrophobicContact CE2-CB 4.02Å; Y6-I339 HydrophobicContact CE2-CD1 3.92Å; Y6-I339 HydrophobicContact CE2-CG1 4.21Å; Y6-I339 HydrophobicContact CG-CD1 4.27Å; A102-I339 HydrophobicContact CB-CD1 4.26Å; A102-I339 VanDerWaalsContact O-CD1 3.25Å; A102-I339 WeakPolarHBondContact O-CD1 3.26Å; I105-I339 HydrophobicContact CB-CD1 3.81Å; I105-I339 HydrophobicContact CD1-CD1 3.87Å; I105-I339 HydrophobicContact CG1-CD1 4.33Å; I105-I339 HydrophobicContact CG2-CD1 4.34Å; V337-I339 HydrophobicContact CG1-CD1 4.22Å; V337-I339 HydrophobicContact CG1-CG1 4.29Å; V337-I339 HydrophobicContact CG2-CG1 4.33Å
340P88.1Confident84.4Confident93 Ų9384.8 Ų84.860%0.60445%0.446SS*.  trans-59.7148.9176.2-24.134000113.3Y338 Y342Y338-P340 HydrophobicContact CD1-CG 4.42Å; Y338-P340 HydrophobicContact CE1-CG 4.11Å; P340-Y342 PolarHBondContact O-N 2.89Å
341T82.1Confident84.2Confident96 Ų9686.6 Ų86.659%0.58946%0.456SS*.  trans-63.8127.3-179.9-46.50000111.2N4 N343N4-T341 PolarHBondContact ND2-OG1 3.01Å; N4-T341 VanDerWaalsContact ND2-OG1 3.09Å; T341-N343 WeakPolarHBondContact CG2-OD1 3.37Å; T341-N343 PolarHBondContact O-N 3.28Å; T341-N343 VanDerWaalsContact O-N 3.09Å
342Y75.3Confident83.3Confident112 Ų11286.5 Ų86.544%0.43946%0.457SS..  trans-86.278.9-170.1-169.5-100.5000112.5P340 K344P340-Y342 PolarHBondContact O-N 2.89Å; Y342-K344 HydrophobicContact CD1-CB 4.31Å; Y342-K344 HydrophobicContact CD1-CG 4.46Å; Y342-K344 HydrophobicContact CE1-CB 3.85Å; Y342-K344 HydrophobicContact CE1-CD 4.11Å; Y342-K344 HydrophobicContact CE1-CG 3.95Å; Y342-K344 HydrophobicContact CE2-CD 4.21Å; Y342-K344 HydrophobicContact CE2-CG 4.28Å; Y342-K344 PolarHBondContact O-N 2.9Å; Y342-K344 WeakPolarHBondContact OH-CD 3.36Å; Y342-K344 WeakPolarHBondContact OH-CE 3.24Å; Y342-K344 PolarHBondContact OH-NZ 3.5Å
343N71.1Confident81.7Confident143 Ų14387.6 Ų87.677%0.76546%0.46SS*.  trans-79.533.3-173.2-67.10000115.2T341T341-N343 WeakPolarHBondContact CG2-OD1 3.37Å; T341-N343 PolarHBondContact O-N 3.28Å; T341-N343 VanDerWaalsContact O-N 3.09Å
344K76.1Confident79.6Confident139 Ų13991 Ų9160%0.60448%0.482SS*.PPolyproline II helixtrans-78.1141.6173.6-64.9-160.4-166.9166.20110.7Y342 N346Y342-K344 HydrophobicContact CD1-CB 4.31Å; Y342-K344 HydrophobicContact CD1-CG 4.46Å; Y342-K344 HydrophobicContact CE1-CB 3.85Å; Y342-K344 HydrophobicContact CE1-CD 4.11Å; Y342-K344 HydrophobicContact CE1-CG 3.95Å; Y342-K344 HydrophobicContact CE2-CD 4.21Å; Y342-K344 HydrophobicContact CE2-CG 4.28Å; Y342-K344 PolarHBondContact O-N 2.9Å; Y342-K344 WeakPolarHBondContact OH-CD 3.36Å; Y342-K344 WeakPolarHBondContact OH-CE 3.24Å; Y342-K344 PolarHBondContact OH-NZ 3.5Å; K344-N346 PolarHBondContact O-N 3.33Å
345P76Confident77.2Confident116 Ų11692 Ų9275%0.75351%0.507SS*.PPolyproline II helixtrans-59.6131.6177.324.7-33.9000110.8
346N81.7Confident74.4Confident35 Ų3596.4 Ų96.419%0.18753%0.526CS..PPolyproline II helixtrans-76.2121.4177.7177.7-0.7000108.7K344 N348 Q349 Y389 W405K344-N346 PolarHBondContact O-N 3.33Å; N346-N348 PolarHBondContact O-N 2.96Å; N346-N348 PolarHBondContact OD1-N 2.88Å; N346-N348 PolarHBondContact OD1-ND2 3.49Å; N346-Q349 HydrophobicContact CB-CB 4.42Å; N346-Q349 VanDerWaalsContact O-CB 3.24Å; N346-Q349 WeakPolarHBondContact O-CB 3.37Å; N346-Q349 PolarHBondContact O-N 3.23Å; N346-Y389 HydrophobicContact CB-CE1 4.4Å; N346-Y389 WeakPolarHBondContact ND2-CD1 3.49Å; N346-Y389 VanDerWaalsContact ND2-CE1 3.3Å; N346-Y389 WeakPolarHBondContact ND2-CE1 3.29Å; N346-W405 WeakPolarHBondContact ND2-CZ2 3.36Å
347P84.7Confident71.5Confident98 Ų98100.6 Ų100.664%0.63655%0.547SS*.THydrogen-bonded Turntrans-64.2-15.2-178.426.7-36.2000113.9S18S18-P347 WeakPolarHBondContact OG-CG 3.5Å
348N85.5Confident68.5Low27 Ų27103.9 Ų103.914%0.14458%0.577CS.*THydrogen-bonded Turntrans-90.21.6174.6-53.1-69.9000112.8S19 N346 I350 Y389 S390 W405S19-N348 PolarHBondContact OG-ND2 2.82Å; S19-N348 PolarHBondContact OG-OD1 2.76Å; N346-N348 PolarHBondContact O-N 2.96Å; N346-N348 PolarHBondContact OD1-N 2.88Å; N346-N348 PolarHBondContact OD1-ND2 3.49Å; N348-I350 PolarHBondContact O-N 3.39Å; N348-Y389 CarbonylContact O-C 3.4Å; N348-Y389 WeakPolarHBondContact O-CA 3.41Å; N348-Y389 WeakPolarHBondContact O-CB 3.49Å; N348-S390 WeakPolarHBondContact CA-OG 3.5Å; N348-S390 PolarHBondContact O-N 2.85Å; N348-S390 PolarHBondContact O-OG 3.26Å; N348-W405 HydrophobicContact CB-CH2 3.62Å; N348-W405 HydrophobicContact CB-CZ2 4.17Å; N348-W405 HydrophobicContact CB-CZ3 4.18Å
349Q87Confident65.7Low92 Ų92103.7 Ų103.743%0.4359%0.588SS.*EExtended strand (participates in β ladder)trans-73.9123175.3173.6172.5-12.300110.5N346 S351 Q387 Y389N346-Q349 HydrophobicContact CB-CB 4.42Å; N346-Q349 VanDerWaalsContact O-CB 3.24Å; N346-Q349 WeakPolarHBondContact O-CB 3.37Å; N346-Q349 PolarHBondContact O-N 3.23Å; Q349-S351 PolarHBondContact O-N 2.89Å; Q349-Q387 HydrophobicContact CG-CG 4.33Å; Q349-Y389 HydrophobicContact CB-CD1 4.2Å; Q349-Y389 HydrophobicContact CB-CE1 4.18Å
350I85.4Confident63.1Low65 Ų65109.1 Ų109.133%0.33362%0.622SS.*EExtended strand (participates in β ladder)trans-80.2117.3174.2-60.6171000107.9N348 W388 R399N348-I350 PolarHBondContact O-N 3.39Å; I350-W388 HydrophobicContact CB-CB 4.16Å; I350-W388 HydrophobicContact CD1-CB 4.2Å; I350-W388 PolarHBondContact N-O 3.07Å; I350-R399 HydrophobicContact CD1-CB 4Å
351S77.5Confident60.5Low90 Ų90112.7 Ų112.763%0.62964%0.635SS**PPolyproline II helixtrans-75.4126175.1-1690000110.6Q349Q349-S351 PolarHBondContact O-N 2.89Å
352M61.3Low58.1Low128 Ų128111.8 Ų111.863%0.63165%0.646SS**  trans-97.876169.1-77.3-179.9155.500109.6N354M352-N354 PolarHBondContact O-N 2.84Å
353T44.8Very low56.1Low117 Ų117112 Ų11272%0.71867%0.67SS**  trans-75.3112.5164.144.30000109.1G355T353-G355 PolarHBondContact O-N 2.81Å
354N40.8Very low54.2Low158 Ų158108.4 Ų108.485%0.84567%0.667SS**PPolyproline II helixtrans-53129171.3-84.7-3.5000110.1M352 K356M352-N354 PolarHBondContact O-N 2.84Å; N354-K356 PolarHBondContact O-N 2.94Å
355G39.6Very low52.4Low80 Ų80108.5 Ų108.583%0.82568%0.682SS**PPolyproline II helixtrans-66.7120.5-176.700000111.9T353T353-G355 PolarHBondContact O-N 2.81Å
356K32.4Very low50.2Low202 Ų202106.3 Ų106.388%0.87868%0.681SS**PPolyproline II helixtrans-80.4133153.4-77.2-170.7173.2-174.50108.2N354 A358N354-K356 PolarHBondContact O-N 2.94Å; K356-A358 PolarHBondContact O-N 2.99Å; K356-A358 VanDerWaalsContact O-N 3.15Å
357M33.3Very low47.6Very low171 Ų171108.8 Ų108.884%0.84271%0.706SS**  trans-60.9111.5178.1-179.4179.6-175.800110.4T359M357-T359 HydrophobicContact CE-CG2 4.21Å; M357-T359 HydrophobicContact CG-CG2 4.42Å
358A30Very low44.9Very low88 Ų88114.8 Ų114.873%0.72772%0.722SS**  trans-86.2104.7166.700000108.3K356 V360K356-A358 PolarHBondContact O-N 2.99Å; K356-A358 VanDerWaalsContact O-N 3.15Å; A358-V360 PolarHBondContact O-N 2.84Å
359T35.6Very low42.4Very low114 Ų114121.9 Ų121.970%0.69975%0.754SS**  trans-69.3115.3174.549.40000110.2M357M357-T359 HydrophobicContact CE-CG2 4.21Å; M357-T359 HydrophobicContact CG-CG2 4.42Å
360V37.4Very low39.7Very low128 Ų128122.1 Ų122.178%0.77677%0.772SS**  trans-123.8114.7172.6-174.40000108.4A358A358-V360 PolarHBondContact O-N 2.84Å
361N33.2Very low37.4Very low167 Ų167124.6 Ų124.689%0.89380%0.802SS**  trans-79.5130.1170.2-71.8-21.2000109.2
362G31.1Very low35.6Very low78 Ų78123.8 Ų123.880%0.80481%0.808SS**  trans168.5118.9175.300000111.3
363A33.6Very low34.9Very low116 Ų116121 Ų12196%0.95981%0.811SS**  trans-82.9141.9-172.500000113.1
364G30.9Very low35.9Very low67 Ų67117 Ų11769%0.69179%0.794SS**  trans178.6112.4172.400000111.7
365P37.5Very low37.7Very low142 Ų142117 Ų11792%0.92278%0.782SS**  trans-86.1115.9-176.631.8-32.1000112
366G30.3Very low40Very low70 Ų70114.7 Ų114.772%0.72276%0.756SS**  trans177.1117.717200000115.2
367A28.5Very low42.8Very low87 Ų87105.1 Ų105.172%0.71971%0.714SS**  trans51.193.1164.900000118.2H369A367-H369 PolarHBondContact O-N 2.78Å
368F27.1Very low45.6Very low224 Ų22498.9 Ų98.998%0.98268%0.683SS**  trans-63.698.2159.7-84.4-98.6000111.2
369H32.4Very low48.4Very low176 Ų17694.7 Ų94.782%0.81565%0.648SS**  trans-85.9111.1159-85.7-69.6000109.8A367 A371A367-H369 PolarHBondContact O-N 2.78Å; H369-A371 PolarHBondContact O-N 2.77Å
370A31Very low51Low97 Ų9791.8 Ų91.880%0.80263%0.632SS**  trans-66.398.8-178.300000112.2G372A370-G372 PolarHBondContact O-N 2.81Å
371A36.9Very low53.4Low117 Ų11791.5 Ų91.597%0.96762%0.618SS**THydrogen-bonded Turntrans-73.460.8176.400000112.6H369H369-A371 PolarHBondContact O-N 2.77Å
372G39.8Very low56.1Low73 Ų7385.8 Ų85.875%0.75359%0.589SS**THydrogen-bonded Turntrans-142.9-14.818000000115.7A370 G374A370-G372 PolarHBondContact O-N 2.81Å; G372-G374 PolarHBondContact O-N 2.86Å
373G46.9Very low58.9Low68 Ų6888 Ų8870%0.70158%0.58SS**  trans-96.376.1-177.500000114.1R375G373-R375 PolarHBondContact O-N 3Å
374G65.1Low61.5Low34 Ų3490.5 Ų90.535%0.35157%0.572SS.*  trans-65.7125.9178.500000113G372 M383 R399G372-G374 PolarHBondContact O-N 2.86Å; G374-M383 WeakPolarHBondContact O-CE 3.31Å; G374-R399 VanDerWaalsContact C-NH2 3.26Å; G374-R399 PolarHBondContact O-NH2 3.23Å
375R79.4Confident64.3Low157 Ų15788.7 Ų88.759%0.59255%0.549SS*.  trans-42.8142.7-179.7-71.4-179.6175.5-103.8-3.1113.4G373 R399G373-R375 PolarHBondContact O-N 3Å; R375-R399 PolarHBondContact O-NE 3.39Å; R375-R399 PolarHBondContact O-NH2 3.14Å
376A88.3Confident66.8Low33 Ų3387.1 Ų87.127%0.27355%0.548SS..  trans-61.5162173.200000112.2E378 M383A376-E378 PolarHBondContact O-N 3.07Å; A376-M383 HydrophobicContact CB-CG 4.2Å
377C91Very high69.6Low0 Ų086.4 Ų86.40%053%0.525CS..  trans-64.8124.6174.1176.50000111.3S379 C380 Y381 T382 W388 C401C377-S379 PolarHBondContact O-N 3.41Å; C377-C380 PolarHBondContact O-N 2.92Å; C377-Y381 VanDerWaalsContact O-CA 3.29Å; C377-Y381 WeakPolarHBondContact O-CA 3.25Å; C377-Y381 PolarHBondContact O-N 3.06Å; C377-T382 HydrophobicContact CB-CG2 3.79Å; C377-T382 PolarHBondContact N-O 3.24Å; C377-W388 HydrophobicContact CB-CH2 4.38Å; C377-W388 HydrophobicContact CB-CZ3 4.04Å; C377-C401 HydrophobicContact CB-CB 4.25Å; C377-C401 PolarHBondContact SG-N 3.39Å; C377-C401 VanDerWaalsContact SG-N 3.37Å
378E90.7Very high72.7Confident41 Ų4182.6 Ų82.619%0.19249%0.492CS..THydrogen-bonded Turntrans-58.6-15.1-176-15664.8-128.700114.9A376 W391 C398 R399 L400 L414A376-E378 PolarHBondContact O-N 3.07Å; E378-W391 HydrophobicContact CG-CE3 4.48Å; E378-W391 HydrophobicContact CG-CZ3 4.13Å; E378-C398 PolarHBondContact OE2-SG 2.97Å; E378-R399 PolarHBondContact N-O 2.74Å; E378-R399 VanDerWaalsContact N-O 3.17Å; E378-L400 HydrophobicContact CB-CD2 3.95Å; E378-L414 HydrophobicContact CB-CD1 4.48Å; E378-L414 HydrophobicContact CG-CD1 4.26Å
379S89.2Confident75.7Confident0 Ų072.4 Ų72.40%045%0.448CS..THydrogen-bonded Turntrans-115.5-11.9-170.8178.20000114.4C377 C404 K415 M416C377-S379 PolarHBondContact O-N 3.41Å; S379-C404 VanDerWaalsContact CB-SG 3.57Å; S379-C404 PolarHBondContact OG-SG 2.83Å; S379-C404 VanDerWaalsContact OG-SG 3.35Å; S379-K415 PolarHBondContact OG-N 3.34Å; S379-M416 WeakPolarHBondContact O-CG 3.47Å
380C90.1Very high78.5Confident53 Ų5366.3 Ų66.336%0.35843%0.425SS..THydrogen-bonded Turntrans-154.83.7-179.267.50000114.9C377 T382 C404C377-C380 PolarHBondContact O-N 2.92Å; C380-T382 PolarHBondContact O-N 3.06Å; C380-C404 PolarHBondContact SG-SG 3.14Å
381Y89.5Confident81.2Confident121 Ų12164.7 Ų64.748%0.47540%0.398SS..  trans56.511.2175.8-49.5-70000116.9C377C377-Y381 VanDerWaalsContact O-CA 3.29Å; C377-Y381 WeakPolarHBondContact O-CA 3.25Å; C377-Y381 PolarHBondContact O-N 3.06Å
382T89.4Confident83.4Confident48 Ų4861.5 Ų61.529%0.29438%0.376SS..  trans-60.3142.3167.1-172.70000111C377 C380 Q384 C401C377-T382 HydrophobicContact CB-CG2 3.79Å; C377-T382 PolarHBondContact N-O 3.24Å; C380-T382 PolarHBondContact O-N 3.06Å; T382-Q384 VanDerWaalsContact CG2-O 3.29Å; T382-Q384 WeakPolarHBondContact CG2-O 3.42Å; T382-Q384 PolarHBondContact OG1-N 2.83Å; T382-Q384 PolarHBondContact OG1-O 2.77Å; T382-C401 HydrophobicContact CG2-CB 3.8Å
383M88.7Confident85.3Confident124 Ų12461.1 Ų61.161%0.61136%0.36SS*.SBendtrans-97.8-3.1167-60.8-168.574.300112.6G374 A376 W388G374-M383 WeakPolarHBondContact O-CE 3.31Å; A376-M383 HydrophobicContact CB-CG 4.2Å; M383-W388 WeakPolarHBondContact O-CZ2 3.26Å
384Q88.6Confident86.5Confident169 Ų16963.9 Ų63.979%0.7937%0.366SS*.  trans-114.2133-178.4-61.31804.700111.2T382T382-Q384 VanDerWaalsContact CG2-O 3.29Å; T382-Q384 WeakPolarHBondContact CG2-O 3.42Å; T382-Q384 PolarHBondContact OG1-N 2.83Å; T382-Q384 PolarHBondContact OG1-O 2.77Å
385S89.4Confident87Confident29 Ų2968.8 Ų68.820%0.20339%0.385CS..  trans-164.2139172.9-171.50000109.6Q387 W388 C401 V402S385-Q387 WeakPolarHBondContact CB-O 3.43Å; S385-Q387 PolarHBondContact O-N 3.36Å; S385-Q387 PolarHBondContact OG-N 3.36Å; S385-Q387 PolarHBondContact OG-O 3.36Å; S385-W388 PolarHBondContact O-NE1 3.42Å; S385-C401 WeakPolarHBondContact OG-CA 3.43Å; S385-C401 WeakPolarHBondContact OG-CB 3.42Å; S385-V402 PolarHBondContact OG-N 3.35Å
386A90Very high86.8Confident109 Ų10966.2 Ų66.290%0.90138%0.381SS*.SBendtrans-65.6-24.2174.800000113.2
387Q90.8Very high86.4Confident55 Ų5571.6 Ų71.626%0.25740%0.4SS..SBendtrans-145142.5176.3-178.1168.9-6.400110.2Q349 S385 Y389 V402Q349-Q387 HydrophobicContact CG-CG 4.33Å; S385-Q387 WeakPolarHBondContact CB-O 3.43Å; S385-Q387 PolarHBondContact O-N 3.36Å; S385-Q387 PolarHBondContact OG-N 3.36Å; S385-Q387 PolarHBondContact OG-O 3.36Å; Q387-Y389 HydrophobicContact CG-CE1 4.34Å; Q387-Y389 HydrophobicContact CG-CE2 3.95Å; Q387-Y389 VanDerWaalsContact NE2-CE1 3.25Å; Q387-Y389 PolarHBondContact NE2-OH 2.94Å; Q387-Y389 PolarHBondContact OE1-OH 2.87Å; Q387-V402 HydrophobicContact CB-CB 4.36Å; Q387-V402 PolarHBondContact O-N 2.77Å
388W91.6Very high86.2Confident7 Ų772.3 Ų72.33%0.02741%0.405CS..EExtended strand (participates in β ladder)trans-118146.1178.7-69.193.1000110.8I350 C377 M383 S385 R399 C401I350-W388 HydrophobicContact CB-CB 4.16Å; I350-W388 HydrophobicContact CD1-CB 4.2Å; I350-W388 PolarHBondContact N-O 3.07Å; C377-W388 HydrophobicContact CB-CH2 4.38Å; C377-W388 HydrophobicContact CB-CZ3 4.04Å; M383-W388 WeakPolarHBondContact O-CZ2 3.26Å; S385-W388 PolarHBondContact O-NE1 3.42Å; W388-R399 HydrophobicContact CE3-CB 4.31Å; W388-R399 HydrophobicContact CE3-CG 3.75Å; W388-R399 HydrophobicContact CZ3-CG 3.97Å; W388-C401 HydrophobicContact CH2-CB 4.46Å; W388-C401 HydrophobicContact CZ3-CB 4.24Å
389Y91.5Very high86.2Confident10 Ų1071.9 Ų71.94%0.03940%0.401CS..EExtended strand (participates in β ladder)trans-128139.4175.8-57-89.5000111.4N346 N348 Q349 Q387 R399 L400 V402 W405N346-Y389 HydrophobicContact CB-CE1 4.4Å; N346-Y389 WeakPolarHBondContact ND2-CD1 3.49Å; N346-Y389 VanDerWaalsContact ND2-CE1 3.3Å; N346-Y389 WeakPolarHBondContact ND2-CE1 3.29Å; N348-Y389 CarbonylContact O-C 3.4Å; N348-Y389 WeakPolarHBondContact O-CA 3.41Å; N348-Y389 WeakPolarHBondContact O-CB 3.49Å; Q349-Y389 HydrophobicContact CB-CD1 4.2Å; Q349-Y389 HydrophobicContact CB-CE1 4.18Å; Q387-Y389 HydrophobicContact CG-CE1 4.34Å; Q387-Y389 HydrophobicContact CG-CE2 3.95Å; Q387-Y389 VanDerWaalsContact NE2-CE1 3.25Å; Q387-Y389 PolarHBondContact NE2-OH 2.94Å; Q387-Y389 PolarHBondContact OE1-OH 2.87Å; Y389-R399 CarbonylContact O-C 3.58Å; Y389-R399 WeakPolarHBondContact O-CA 3.45Å; Y389-R399 WeakPolarHBondContact O-CB 3.38Å; Y389-L400 PolarHBondContact N-O 2.67Å; Y389-L400 PolarHBondContact O-N 3.21Å; Y389-V402 HydrophobicContact CE2-CB 4.25Å; Y389-V402 HydrophobicContact CE2-CG2 4.16Å; Y389-W405 AromaticContact CD1-CD2 3.99Å; Y389-W405 HydrophobicContact CD1-CD2 3.99Å; Y389-W405 AromaticContact CD1-CE2 3.94Å; Y389-W405 HydrophobicContact CD1-CG 4.12Å; Y389-W405 HydrophobicContact CD1-CZ2 4.48Å; Y389-W405 AromaticContact CD1-NE1 3.99Å; Y389-W405 HydrophobicContact CD2-CB 3.32Å; Y389-W405 AromaticContact CD2-CD1 3.67Å; Y389-W405 AromaticContact CD2-CD2 3.86Å; Y389-W405 HydrophobicContact CD2-CD2 3.86Å; Y389-W405 HydrophobicContact CD2-CE3 4.48Å; Y389-W405 AromaticContact CD2-CG 3.29Å; Y389-W405 HydrophobicContact CD2-CG 3.29Å; Y389-W405 HydrophobicContact CE1-CG 4.43Å; Y389-W405 AromaticContact CE1-NE1 3.95Å; Y389-W405 HydrophobicContact CE2-CB 3.75Å; Y389-W405 AromaticContact CE2-CD1 3.51Å; Y389-W405 HydrophobicContact CE2-CD2 4.46Å; Y389-W405 AromaticContact CE2-CG 3.63Å; Y389-W405 HydrophobicContact CE2-CG 3.63Å; Y389-W405 HydrophobicContact CG-CB 3.98Å; Y389-W405 AromaticContact CG-CD1 3.92Å; Y389-W405 AromaticContact CG-CD2 3.54Å; Y389-W405 HydrophobicContact CG-CD2 3.54Å; Y389-W405 AromaticContact CG-CE3 3.95Å; Y389-W405 HydrophobicContact CG-CE3 3.95Å; Y389-W405 AromaticContact CG-CG 3.53Å; Y389-W405 HydrophobicContact CG-CG 3.53Å; Y389-W405 AromaticContact CZ-CD1 3.67Å
390S91Very high86.4Confident48 Ų4871.9 Ų71.934%0.33640%0.401SS..EExtended strand (participates in β ladder)trans-70.9140.7169.954.20000110.4N348 W405N348-S390 WeakPolarHBondContact CA-OG 3.5Å; N348-S390 PolarHBondContact O-N 2.85Å; N348-S390 PolarHBondContact O-OG 3.26Å; S390-W405 WeakPolarHBondContact O-CZ3 3.33Å
391W88.4Confident86.5Confident62 Ų6269.5 Ų69.524%0.23539%0.385CS..  trans-142.9143.1-177.1-179.386.6000110.7E378 C398 L400 W408 L414E378-W391 HydrophobicContact CG-CE3 4.48Å; E378-W391 HydrophobicContact CG-CZ3 4.13Å; W391-C398 HydrophobicContact CE3-CB 3.85Å; W391-C398 HydrophobicContact CZ3-CB 4.44Å; W391-C398 PolarHBondContact N-O 2.77Å; W391-C398 WeakPolarHBondContact O-CB 3.48Å; W391-L400 HydrophobicContact CB-CD1 4.15Å; W391-L400 HydrophobicContact CB-CG 3.99Å; W391-L400 HydrophobicContact CD2-CD1 4.42Å; W391-L400 HydrophobicContact CG-CD1 3.81Å; W391-L400 HydrophobicContact CG-CG 4.06Å; W391-W408 AromaticContact CD1-CD2 3.81Å; W391-W408 AromaticContact CD1-CE2 3.71Å; W391-W408 AromaticContact CD1-CZ2 3.97Å; W391-W408 AromaticContact NE1-CD1 3.46Å; W391-W408 AromaticContact NE1-CD2 3.58Å; W391-W408 AromaticContact NE1-CE2 3.2Å; W391-W408 AromaticContact NE1-CG 3.72Å; W391-W408 AromaticContact NE1-CZ2 3.73Å; W391-W408 AromaticContact NE1-NE1 3.13Å; W391-W408 VanDerWaalsContact NE1-NE1 3.13Å; W391-L414 HydrophobicContact CH2-CD1 3.89Å; W391-L414 HydrophobicContact CH2-CD2 4.35Å; W391-L414 HydrophobicContact CH2-CG 4.31Å; W391-L414 HydrophobicContact CZ2-CD1 4.17Å; W391-L414 HydrophobicContact CZ2-CD2 3.8Å; W391-L414 HydrophobicContact CZ2-CG 4.1Å; W391-L414 HydrophobicContact CZ3-CD1 4.37Å
392G81.3Confident86.7Confident50 Ų5066.2 Ų66.252%0.51538%0.378SS..SBendtrans72.9-166.5-176.200000114.4
393P79.9Confident86.9Confident65 Ų6567.7 Ų67.742%0.42239%0.39SS..  trans-64.1140.7-177.8-24.736.3000113.4N395 M396P393-N395 WeakPolarHBondContact CB-OD1 3.34Å; P393-N395 PolarHBondContact O-N 3.44Å; P393-N395 VanDerWaalsContact O-N 3.08Å; P393-M396 HydrophobicContact CB-CG 4.33Å; P393-M396 HydrophobicContact CB-SD 4.45Å; P393-M396 HydrophobicContact CG-SD 4.06Å; P393-M396 PolarHBondContact O-N 3.03Å
394P72.9Confident87.1Confident127 Ų12761.9 Ų61.983%0.82536%0.362SS*.THydrogen-bonded Turntrans-56.5-30.2-176.4-27.835.4000115M396P394-M396 VanDerWaalsContact C-N 3.27Å; P394-M396 PolarHBondContact O-N 2.95Å
395N74.7Confident87.3Confident137 Ų13754.1 Ų54.173%0.73333%0.325SS*.THydrogen-bonded Turntrans-73.1-12.7178.662.8-69.8000114.3P393P393-N395 WeakPolarHBondContact CB-OD1 3.34Å; P393-N395 PolarHBondContact O-N 3.44Å; P393-N395 VanDerWaalsContact O-N 3.08Å
396M76.3Confident87.4Confident103 Ų10356.4 Ų56.451%0.50733%0.333SS..THydrogen-bonded Turntrans-95.9-19.4179.7-60.7-17474.300113P393 P394 C398P393-M396 HydrophobicContact CB-CG 4.33Å; P393-M396 HydrophobicContact CB-SD 4.45Å; P393-M396 HydrophobicContact CG-SD 4.06Å; P393-M396 PolarHBondContact O-N 3.03Å; P394-M396 VanDerWaalsContact C-N 3.27Å; P394-M396 PolarHBondContact O-N 2.95Å; M396-C398 PolarHBondContact O-N 3.41Å
397Q79.6Confident87.6Confident145 Ų14552.2 Ų52.268%0.67829%0.294SS*.  trans53.324.1179-56.7-177.5-6.300115.1
398C87.4Confident87.7Confident15 Ų1551 Ų5110%0.10129%0.287CS..  trans-64.2142.7175.1-66.40000110.3E378 W391 M396E378-C398 PolarHBondContact OE2-SG 2.97Å; W391-C398 HydrophobicContact CE3-CB 3.85Å; W391-C398 HydrophobicContact CZ3-CB 4.44Å; W391-C398 PolarHBondContact N-O 2.77Å; W391-C398 WeakPolarHBondContact O-CB 3.48Å; M396-C398 PolarHBondContact O-N 3.41Å
399R90.3Very high87.8Confident32 Ų3250.7 Ų50.712%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-138.7149.7-179.268.6176.3-170.7156.35.4112.6I350 G374 R375 E378 W388 Y389I350-R399 HydrophobicContact CD1-CB 4Å; G374-R399 VanDerWaalsContact C-NH2 3.26Å; G374-R399 PolarHBondContact O-NH2 3.23Å; R375-R399 PolarHBondContact O-NE 3.39Å; R375-R399 PolarHBondContact O-NH2 3.14Å; E378-R399 PolarHBondContact N-O 2.74Å; E378-R399 VanDerWaalsContact N-O 3.17Å; W388-R399 HydrophobicContact CE3-CB 4.31Å; W388-R399 HydrophobicContact CE3-CG 3.75Å; W388-R399 HydrophobicContact CZ3-CG 3.97Å; Y389-R399 CarbonylContact O-C 3.58Å; Y389-R399 WeakPolarHBondContact O-CA 3.45Å; Y389-R399 WeakPolarHBondContact O-CB 3.38Å
400L92.6Very high87.9Confident0 Ų052.5 Ų52.50%030%0.295CS..EExtended strand (participates in β ladder)trans-115.6142.3176.3-61.2-179.8000110.6E378 Y389 W391 C404 W405 W408 L414E378-L400 HydrophobicContact CB-CD2 3.95Å; Y389-L400 PolarHBondContact N-O 2.67Å; Y389-L400 PolarHBondContact O-N 3.21Å; W391-L400 HydrophobicContact CB-CD1 4.15Å; W391-L400 HydrophobicContact CB-CG 3.99Å; W391-L400 HydrophobicContact CD2-CD1 4.42Å; W391-L400 HydrophobicContact CG-CD1 3.81Å; W391-L400 HydrophobicContact CG-CG 4.06Å; L400-C404 HydrophobicContact CB-CB 4.26Å; L400-C404 HydrophobicContact CD2-CB 4.22Å; L400-W405 HydrophobicContact CB-CB 4.19Å; L400-W405 HydrophobicContact CD1-CE3 4.39Å; L400-W408 HydrophobicContact CD1-CB 4.07Å; L400-W408 HydrophobicContact CD1-CG 4.4Å; L400-L414 HydrophobicContact CD1-CD2 4.14Å; L400-L414 HydrophobicContact CD2-CD2 4.14Å
401C93.4Very high88Confident3 Ų350.8 Ų50.82%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-68.5166163.666.50000110.5C377 T382 S385 W388 S403 C404 W405C377-C401 HydrophobicContact CB-CB 4.25Å; C377-C401 PolarHBondContact SG-N 3.39Å; C377-C401 VanDerWaalsContact SG-N 3.37Å; T382-C401 HydrophobicContact CG2-CB 3.8Å; S385-C401 WeakPolarHBondContact OG-CA 3.43Å; S385-C401 WeakPolarHBondContact OG-CB 3.42Å; W388-C401 HydrophobicContact CH2-CB 4.46Å; W388-C401 HydrophobicContact CZ3-CB 4.24Å; C401-S403 VanDerWaalsContact C-N 3.35Å; C401-S403 PolarHBondContact O-N 2.91Å; C401-S403 PolarHBondContact SG-OG 3.08Å; C401-C404 PolarHBondContact O-N 3.03Å; C401-C404 VanDerWaalsContact SG-SG 3.69Å; C401-W405 WeakPolarHBondContact O-CB 3.45Å; C401-W405 PolarHBondContact O-N 3.41Å
402V92.7Very high88.2Confident52 Ų5248.4 Ų48.432%0.31528%0.275SS..Hα-helixtrans-59.2-41.2-17361.90000113.5S385 Q387 Y389 W405 M406S385-V402 PolarHBondContact OG-N 3.35Å; Q387-V402 HydrophobicContact CB-CB 4.36Å; Q387-V402 PolarHBondContact O-N 2.77Å; Y389-V402 HydrophobicContact CE2-CB 4.25Å; Y389-V402 HydrophobicContact CE2-CG2 4.16Å; V402-W405 PolarHBondContact O-N 2.85Å; V402-M406 WeakPolarHBondContact O-CG 3.29Å; V402-M406 PolarHBondContact O-N 2.82Å
403S93.1Very high88.6Confident79 Ų7946.6 Ų46.655%0.55226%0.257SS*.Hα-helixtrans-68.1-41.5178.453.90000112.5C401 M406 Y407C401-S403 VanDerWaalsContact C-N 3.35Å; C401-S403 PolarHBondContact O-N 2.91Å; C401-S403 PolarHBondContact SG-OG 3.08Å; S403-M406 PolarHBondContact O-N 2.87Å; S403-Y407 WeakPolarHBondContact O-CB 3.47Å; S403-Y407 PolarHBondContact O-N 3.49Å
404C93.3Very high89.1Confident3 Ų344.1 Ų44.12%0.0224%0.24CC..Hα-helixtrans-71.6-32.4176.2-74.50000113.2S379 C380 L400 C401 W408S379-C404 VanDerWaalsContact CB-SG 3.57Å; S379-C404 PolarHBondContact OG-SG 2.83Å; S379-C404 VanDerWaalsContact OG-SG 3.35Å; C380-C404 PolarHBondContact SG-SG 3.14Å; L400-C404 HydrophobicContact CB-CB 4.26Å; L400-C404 HydrophobicContact CD2-CB 4.22Å; C401-C404 PolarHBondContact O-N 3.03Å; C401-C404 VanDerWaalsContact SG-SG 3.69Å; C404-W408 WeakPolarHBondContact O-CB 3.49Å; C404-W408 PolarHBondContact O-N 3.3Å
405W92.9Very high89.6Confident5 Ų542.8 Ų42.82%0.01922%0.222CC..Hα-helixtrans-64.2-47.8171.6174.2-96.3000111.3N346 N348 Y389 S390 L400 C401 V402 Y407 W408 K409N346-W405 WeakPolarHBondContact ND2-CZ2 3.36Å; N348-W405 HydrophobicContact CB-CH2 3.62Å; N348-W405 HydrophobicContact CB-CZ2 4.17Å; N348-W405 HydrophobicContact CB-CZ3 4.18Å; Y389-W405 AromaticContact CD1-CD2 3.99Å; Y389-W405 HydrophobicContact CD1-CD2 3.99Å; Y389-W405 AromaticContact CD1-CE2 3.94Å; Y389-W405 HydrophobicContact CD1-CG 4.12Å; Y389-W405 HydrophobicContact CD1-CZ2 4.48Å; Y389-W405 AromaticContact CD1-NE1 3.99Å; Y389-W405 HydrophobicContact CD2-CB 3.32Å; Y389-W405 AromaticContact CD2-CD1 3.67Å; Y389-W405 AromaticContact CD2-CD2 3.86Å; Y389-W405 HydrophobicContact CD2-CD2 3.86Å; Y389-W405 HydrophobicContact CD2-CE3 4.48Å; Y389-W405 AromaticContact CD2-CG 3.29Å; Y389-W405 HydrophobicContact CD2-CG 3.29Å; Y389-W405 HydrophobicContact CE1-CG 4.43Å; Y389-W405 AromaticContact CE1-NE1 3.95Å; Y389-W405 HydrophobicContact CE2-CB 3.75Å; Y389-W405 AromaticContact CE2-CD1 3.51Å; Y389-W405 HydrophobicContact CE2-CD2 4.46Å; Y389-W405 AromaticContact CE2-CG 3.63Å; Y389-W405 HydrophobicContact CE2-CG 3.63Å; Y389-W405 HydrophobicContact CG-CB 3.98Å; Y389-W405 AromaticContact CG-CD1 3.92Å; Y389-W405 AromaticContact CG-CD2 3.54Å; Y389-W405 HydrophobicContact CG-CD2 3.54Å; Y389-W405 AromaticContact CG-CE3 3.95Å; Y389-W405 HydrophobicContact CG-CE3 3.95Å; Y389-W405 AromaticContact CG-CG 3.53Å; Y389-W405 HydrophobicContact CG-CG 3.53Å; Y389-W405 AromaticContact CZ-CD1 3.67Å; S390-W405 WeakPolarHBondContact O-CZ3 3.33Å; L400-W405 HydrophobicContact CB-CB 4.19Å; L400-W405 HydrophobicContact CD1-CE3 4.39Å; C401-W405 WeakPolarHBondContact O-CB 3.45Å; C401-W405 PolarHBondContact O-N 3.41Å; V402-W405 PolarHBondContact O-N 2.85Å; W405-Y407 PolarHBondContact O-N 3.38Å; W405-W408 HydrophobicContact CD2-CE3 4.4Å; W405-W408 AromaticContact CE3-CE3 4Å; W405-W408 HydrophobicContact CE3-CE3 4Å; W405-W408 HydrophobicContact CE3-CZ3 4.1Å; W405-W408 HydrophobicContact CH2-CE3 4.25Å; W405-W408 HydrophobicContact CH2-CH2 4.35Å; W405-W408 AromaticContact CH2-CZ3 3.53Å; W405-W408 HydrophobicContact CH2-CZ3 3.53Å; W405-W408 HydrophobicContact CZ2-CZ3 4.05Å; W405-W408 AromaticContact CZ3-CE3 3.93Å; W405-W408 HydrophobicContact CZ3-CE3 3.93Å; W405-W408 HydrophobicContact CZ3-CH2 4.38Å; W405-W408 AromaticContact CZ3-CZ3 3.56Å; W405-W408 HydrophobicContact CZ3-CZ3 3.56Å; W405-W408 PolarHBondContact O-N 2.84Å; W405-K409 HydrophobicContact CD2-CG 4.39Å; W405-K409 HydrophobicContact CZ2-CD 3.93Å; W405-K409 HydrophobicContact CZ2-CG 4.16Å; W405-K409 WeakPolarHBondContact O-CG 3.12Å; W405-K409 PolarHBondContact O-N 3.01Å
406M92.3Very high90Very high77 Ų7739.3 Ų39.338%0.37920%0.202SC..Hα-helixtrans-65.8-38.5177.4-64.7-56.8176.400111.8V402 S403 K409 K410V402-M406 WeakPolarHBondContact O-CG 3.29Å; V402-M406 PolarHBondContact O-N 2.82Å; S403-M406 PolarHBondContact O-N 2.87Å; M406-K409 PolarHBondContact O-N 3.16Å; M406-K410 WeakPolarHBondContact O-CG 3.4Å; M406-K410 PolarHBondContact O-N 3.19Å
407Y93.3Very high89.8Confident21 Ų2137.1 Ų37.18%0.08220%0.195CC..Hα-helixtrans-58.4-50.5171.2-176.8-86.4000111.3H88 S403 W405 K409 K410 Y411 G413 K415H88-Y407 PolarHBondContact ND1-OH 3.15Å; S403-Y407 WeakPolarHBondContact O-CB 3.47Å; S403-Y407 PolarHBondContact O-N 3.49Å; W405-Y407 PolarHBondContact O-N 3.38Å; Y407-K409 VanDerWaalsContact C-N 3.33Å; Y407-K409 PolarHBondContact O-N 3.37Å; Y407-K410 PolarHBondContact O-N 3.04Å; Y407-Y411 HydrophobicContact CD1-CD2 4.29Å; Y407-Y411 AromaticContact CD2-CD2 3.36Å; Y407-Y411 HydrophobicContact CD2-CD2 3.36Å; Y407-Y411 AromaticContact CD2-CE2 3.68Å; Y407-Y411 HydrophobicContact CD2-CE2 3.68Å; Y407-Y411 HydrophobicContact CD2-CG 4.33Å; Y407-Y411 HydrophobicContact CE1-CD2 4.3Å; Y407-Y411 HydrophobicContact CE1-CG 4.47Å; Y407-Y411 AromaticContact CE2-CD2 3.38Å; Y407-Y411 HydrophobicContact CE2-CD2 3.38Å; Y407-Y411 AromaticContact CE2-CE2 3.75Å; Y407-Y411 HydrophobicContact CE2-CE2 3.75Å; Y407-Y411 AromaticContact CE2-CG 3.97Å; Y407-Y411 HydrophobicContact CE2-CG 3.97Å; Y407-Y411 AromaticContact CG-CD2 3.83Å; Y407-Y411 HydrophobicContact CG-CD2 3.83Å; Y407-Y411 HydrophobicContact CG-CE2 4.49Å; Y407-Y411 AromaticContact CZ-CD2 3.87Å; Y407-Y411 WeakPolarHBondContact O-CB 3.3Å; Y407-Y411 WeakPolarHBondContact O-CD2 3.48Å; Y407-Y411 PolarHBondContact O-N 3.26Å; Y407-G413 WeakPolarHBondContact CD1-O 3.41Å; Y407-G413 WeakPolarHBondContact CE1-O 3.46Å; Y407-K415 HydrophobicContact CD1-CB 3.85Å; Y407-K415 HydrophobicContact CD2-CB 4.4Å; Y407-K415 HydrophobicContact CD2-CD 4.2Å; Y407-K415 HydrophobicContact CD2-CG 4.32Å; Y407-K415 HydrophobicContact CE1-CB 3.86Å; Y407-K415 HydrophobicContact CE1-CG 4.42Å; Y407-K415 HydrophobicContact CE2-CB 4.41Å; Y407-K415 HydrophobicContact CE2-CD 4.39Å; Y407-K415 HydrophobicContact CE2-CG 4.14Å; Y407-K415 HydrophobicContact CG-CB 4.14Å
408W93.2Very high89Confident29 Ų2931.4 Ų31.411%0.1117%0.171CC..Hα-helixtrans-62.1-38.3177.517380.9000112.4S19 P21 W391 L400 C404 W405 G412 G413 L414S19-W408 WeakPolarHBondContact O-CH2 3.2Å; P21-W408 WeakPolarHBondContact CB-O 3.35Å; P21-W408 HydrophobicContact CG-CD2 3.88Å; P21-W408 VanDerWaalsContact CG-CE2 3.47Å; P21-W408 HydrophobicContact CG-CE3 4.25Å; P21-W408 HydrophobicContact CG-CG 4.5Å; P21-W408 HydrophobicContact CG-CH2 3.96Å; P21-W408 HydrophobicContact CG-CZ2 3.54Å; P21-W408 HydrophobicContact CG-CZ3 4.28Å; P21-W408 WeakPolarHBondContact CG-O 3.48Å; W391-W408 AromaticContact CD1-CD2 3.81Å; W391-W408 AromaticContact CD1-CE2 3.71Å; W391-W408 AromaticContact CD1-CZ2 3.97Å; W391-W408 AromaticContact NE1-CD1 3.46Å; W391-W408 AromaticContact NE1-CD2 3.58Å; W391-W408 AromaticContact NE1-CE2 3.2Å; W391-W408 AromaticContact NE1-CG 3.72Å; W391-W408 AromaticContact NE1-CZ2 3.73Å; W391-W408 AromaticContact NE1-NE1 3.13Å; W391-W408 VanDerWaalsContact NE1-NE1 3.13Å; L400-W408 HydrophobicContact CD1-CB 4.07Å; L400-W408 HydrophobicContact CD1-CG 4.4Å; C404-W408 WeakPolarHBondContact O-CB 3.49Å; C404-W408 PolarHBondContact O-N 3.3Å; W405-W408 HydrophobicContact CD2-CE3 4.4Å; W405-W408 AromaticContact CE3-CE3 4Å; W405-W408 HydrophobicContact CE3-CE3 4Å; W405-W408 HydrophobicContact CE3-CZ3 4.1Å; W405-W408 HydrophobicContact CH2-CE3 4.25Å; W405-W408 HydrophobicContact CH2-CH2 4.35Å; W405-W408 AromaticContact CH2-CZ3 3.53Å; W405-W408 HydrophobicContact CH2-CZ3 3.53Å; W405-W408 HydrophobicContact CZ2-CZ3 4.05Å; W405-W408 AromaticContact CZ3-CE3 3.93Å; W405-W408 HydrophobicContact CZ3-CE3 3.93Å; W405-W408 HydrophobicContact CZ3-CH2 4.38Å; W405-W408 AromaticContact CZ3-CZ3 3.56Å; W405-W408 HydrophobicContact CZ3-CZ3 3.56Å; W405-W408 PolarHBondContact O-N 2.84Å; W408-G412 WeakPolarHBondContact O-CA 3.2Å; W408-G412 PolarHBondContact O-N 3.09Å; W408-G413 WeakPolarHBondContact CA-O 3.15Å; W408-L414 HydrophobicContact CB-CD2 4.47Å
409K93.6Very high87.4Confident2 Ų241.6 Ų41.61%0.00921%0.208CC..Hα-helixtrans-64-40.4174.6-74.9-72.9-67.7-169.40112.6E15 S17 S18 N20 P21 Y22 W405 M406 Y407E15-K409 IonicContact OE1-NZ 2.55Å; E15-K409 PolarHBondContact OE1-NZ 2.85Å; S17-K409 PolarHBondContact O-NZ 3.41Å; S18-K409 PolarHBondContact O-NZ 3.35Å; N20-K409 WeakPolarHBondContact O-CE 3.46Å; N20-K409 PolarHBondContact O-NZ 2.97Å; P21-K409 CarbonylContact C-O 3.52Å; P21-K409 WeakPolarHBondContact CA-O 3.38Å; P21-K409 WeakPolarHBondContact CB-O 3.47Å; Y22-K409 HydrophobicContact CD2-CB 4.13Å; Y22-K409 WeakPolarHBondContact CD2-O 3.23Å; Y22-K409 HydrophobicContact CE2-CB 3.79Å; Y22-K409 PolarHBondContact N-O 2.95Å; W405-K409 HydrophobicContact CD2-CG 4.39Å; W405-K409 HydrophobicContact CZ2-CD 3.93Å; W405-K409 HydrophobicContact CZ2-CG 4.16Å; W405-K409 WeakPolarHBondContact O-CG 3.12Å; W405-K409 PolarHBondContact O-N 3.01Å; M406-K409 PolarHBondContact O-N 3.16Å; Y407-K409 VanDerWaalsContact C-N 3.33Å; Y407-K409 PolarHBondContact O-N 3.37Å
410K94.4Very high85.3Confident48 Ų4844.6 Ų44.621%0.20924%0.239CC..Hα-helixtrans-79.5-46.1179.8-65.9-169.6-165.8-1760113.3F13 Y22 R47 D128 M406 Y407F13-K410 HydrophobicContact CE1-CB 3.93Å; F13-K410 HydrophobicContact CE1-CG 4.23Å; F13-K410 HydrophobicContact CE2-CB 4.48Å; F13-K410 HydrophobicContact CE2-CD 3.83Å; F13-K410 HydrophobicContact CE2-CG 4.01Å; F13-K410 HydrophobicContact CZ-CB 3.77Å; F13-K410 HydrophobicContact CZ-CD 3.83Å; F13-K410 HydrophobicContact CZ-CG 3.8Å; Y22-K410 HydrophobicContact CD2-CG 4.33Å; Y22-K410 HydrophobicContact CE2-CG 4.45Å; R47-K410 PolarHBondContact NH2-O 3.38Å; D128-K410 WeakPolarHBondContact OD1-CD 3.41Å; D128-K410 WeakPolarHBondContact OD1-CE 3.46Å; D128-K410 IonicContact OD1-NZ 2.74Å; D128-K410 PolarHBondContact OD1-NZ 2.81Å; D128-K410 WeakPolarHBondContact OD2-CE 3.38Å; D128-K410 IonicContact OD2-NZ 3.14Å; D128-K410 PolarHBondContact OD2-NZ 2.69Å; M406-K410 WeakPolarHBondContact O-CG 3.4Å; M406-K410 PolarHBondContact O-N 3.19Å; Y407-K410 PolarHBondContact O-N 3.04Å
411Y93.2Very high82.8Confident11 Ų1150.9 Ų50.94%0.04327%0.268CS..Hα-helixtrans-99.8-22.9-170.1-63.1-75.8000113.9R47 R89 D128 F130 Y407R47-Y411 WeakPolarHBondContact CD-O 3.42Å; R47-Y411 PolarHBondContact NE-O 3.46Å; R89-Y411 HydrophobicContact CG-CD1 4.3Å; R89-Y411 HydrophobicContact CG-CE1 4.24Å; R89-Y411 PolarHBondContact NH1-OH 3.44Å; D128-Y411 PolarHBondContact N-OH 3.2Å; F130-Y411 AromaticContact CE1-CD1 3.68Å; F130-Y411 HydrophobicContact CE1-CD1 3.68Å; F130-Y411 HydrophobicContact CE1-CE1 4.01Å; F130-Y411 HydrophobicContact CE2-CE1 4.22Å; F130-Y411 AromaticContact CZ-CD1 3.64Å; F130-Y411 HydrophobicContact CZ-CD1 3.64Å; F130-Y411 AromaticContact CZ-CE1 3.67Å; F130-Y411 HydrophobicContact CZ-CE1 3.67Å; Y407-Y411 HydrophobicContact CD1-CD2 4.29Å; Y407-Y411 AromaticContact CD2-CD2 3.36Å; Y407-Y411 HydrophobicContact CD2-CD2 3.36Å; Y407-Y411 AromaticContact CD2-CE2 3.68Å; Y407-Y411 HydrophobicContact CD2-CE2 3.68Å; Y407-Y411 HydrophobicContact CD2-CG 4.33Å; Y407-Y411 HydrophobicContact CE1-CD2 4.3Å; Y407-Y411 HydrophobicContact CE1-CG 4.47Å; Y407-Y411 AromaticContact CE2-CD2 3.38Å; Y407-Y411 HydrophobicContact CE2-CD2 3.38Å; Y407-Y411 AromaticContact CE2-CE2 3.75Å; Y407-Y411 HydrophobicContact CE2-CE2 3.75Å; Y407-Y411 AromaticContact CE2-CG 3.97Å; Y407-Y411 HydrophobicContact CE2-CG 3.97Å; Y407-Y411 AromaticContact CG-CD2 3.83Å; Y407-Y411 HydrophobicContact CG-CD2 3.83Å; Y407-Y411 HydrophobicContact CG-CE2 4.49Å; Y407-Y411 AromaticContact CZ-CD2 3.87Å; Y407-Y411 WeakPolarHBondContact O-CB 3.3Å; Y407-Y411 WeakPolarHBondContact O-CD2 3.48Å; Y407-Y411 PolarHBondContact O-N 3.26Å
412G91Very high79.9Confident12 Ų1254.3 Ų54.312%0.12430%0.297CS..SBendtrans89.4-3.8173.300000116.3R49 W408R49-G412 PolarHBondContact NH1-O 3.44Å; W408-G412 WeakPolarHBondContact O-CA 3.2Å; W408-G412 PolarHBondContact O-N 3.09Å
413G90Very high77.2Confident13 Ų1357.3 Ų57.313%0.13432%0.317CS..SBendtrans-133.3-179.2174.700000112.2Y407 W408Y407-G413 WeakPolarHBondContact CD1-O 3.41Å; Y407-G413 WeakPolarHBondContact CE1-O 3.46Å; W408-G413 WeakPolarHBondContact CA-O 3.15Å
414L89.9Confident74.5Confident13 Ų1363.3 Ų63.37%0.06834%0.337CS..  trans-87.8151.2177.8-58-169.4000111.3H84 H88 E378 W391 L400 W408 M416H84-L414 PolarHBondContact NE2-O 2.71Å; H88-L414 PolarHBondContact CE1-O 2.75Å; H88-L414 VanDerWaalsContact CE1-O 3.26Å; E378-L414 HydrophobicContact CB-CD1 4.48Å; E378-L414 HydrophobicContact CG-CD1 4.26Å; W391-L414 HydrophobicContact CH2-CD1 3.89Å; W391-L414 HydrophobicContact CH2-CD2 4.35Å; W391-L414 HydrophobicContact CH2-CG 4.31Å; W391-L414 HydrophobicContact CZ2-CD1 4.17Å; W391-L414 HydrophobicContact CZ2-CD2 3.8Å; W391-L414 HydrophobicContact CZ2-CG 4.1Å; W391-L414 HydrophobicContact CZ3-CD1 4.37Å; L400-L414 HydrophobicContact CD1-CD2 4.14Å; L400-L414 HydrophobicContact CD2-CD2 4.14Å; W408-L414 HydrophobicContact CB-CD2 4.47Å; L414-M416 VanDerWaalsContact C-N 3.26Å; L414-M416 CarbonylContact C-O 3.23Å; L414-M416 VanDerWaalsContact CB-O 3.31Å; L414-M416 WeakPolarHBondContact CB-O 3.41Å; L414-M416 PolarHBondContact O-N 2.74Å
415K84.7Confident71.8Confident99 Ų9971.3 Ų71.343%0.4337%0.374SS..SBendtrans-72.6-22.1-173.1-170170.4-178.9175.40112.6Q85 S379 Y407Q85-K415 PolarHBondContact NE2-O 3.42Å; S379-K415 PolarHBondContact OG-N 3.34Å; Y407-K415 HydrophobicContact CD1-CB 3.85Å; Y407-K415 HydrophobicContact CD2-CB 4.4Å; Y407-K415 HydrophobicContact CD2-CD 4.2Å; Y407-K415 HydrophobicContact CD2-CG 4.32Å; Y407-K415 HydrophobicContact CE1-CB 3.86Å; Y407-K415 HydrophobicContact CE1-CG 4.42Å; Y407-K415 HydrophobicContact CE2-CB 4.41Å; Y407-K415 HydrophobicContact CE2-CD 4.39Å; Y407-K415 HydrophobicContact CE2-CG 4.14Å; Y407-K415 HydrophobicContact CG-CB 4.14Å
416M82Confident68.9Low63 Ų6382.6 Ų82.631%0.3142%0.417SS..SBendtrans-122.2154.7166.5-57-65.1-67.700108K81 S379 L414K81-M416 HydrophobicContact CD-CE 4.19Å; K81-M416 HydrophobicContact CD-SD 3.87Å; K81-M416 HydrophobicContact CG-SD 4.11Å; S379-M416 WeakPolarHBondContact O-CG 3.47Å; L414-M416 VanDerWaalsContact C-N 3.26Å; L414-M416 CarbonylContact C-O 3.23Å; L414-M416 VanDerWaalsContact CB-O 3.31Å; L414-M416 WeakPolarHBondContact CB-O 3.41Å; L414-M416 PolarHBondContact O-N 2.74Å
417P72.4Confident65.8Low58 Ų5886 Ų8638%0.37744%0.442SS..  trans-59.5150.9169-22.133.6000111.9
418S62.5Low62.7Low25 Ų2589.9 Ų89.918%0.17547%0.472CS..  trans-75.8151.7170.9-176.20000110.8A420 E421S418-A420 PolarHBondContact O-N 3.37Å; S418-E421 PolarHBondContact N-OE2 2.86Å; S418-E421 VanDerWaalsContact N-OE2 3.14Å; S418-E421 PolarHBondContact O-N 3Å
419R55.3Low60.1Low229 Ų22994.5 Ų94.586%0.86451%0.506SS*.THydrogen-bonded Turntrans-60.2-15.2175.9-170.5172.8177.7177.40.1113.4
420A46.2Very low56.9Low94 Ų94100.9 Ų100.978%0.77755%0.545SS*.THydrogen-bonded Turntrans-89.7-2.8175.900000114.9S418S418-A420 PolarHBondContact O-N 3.37Å
421E40.3Very low54Low132 Ų132104.7 Ų104.762%0.61758%0.575SS**  trans-1078.9-176.7-64.7177.8127.300113.5S418S418-E421 PolarHBondContact N-OE2 2.86Å; S418-E421 VanDerWaalsContact N-OE2 3.14Å; S418-E421 PolarHBondContact O-N 3Å
422A31.9Very low50.8Low75 Ų75109 Ų10962%0.6261%0.613SS**  trans-75.8127.9173.400000110.5
423P35.2Very low47.7Very low115 Ų115114 Ų11475%0.74765%0.645SS**  trans-69.7142.4172.329.1-33.4000110.9E425P423-E425 PolarHBondContact O-N 2.91Å
424E36.3Very low44.7Very low206 Ų206120.9 Ų120.996%0.96368%0.679SS**SBendtrans-75.768.2177.5-66-171140.500111.9
425E38.3Very low41.7Very low171 Ų171127 Ų12780%0.79971%0.708SS**  trans-144.397176.9-159.8170.9-127.500112.7P423P423-E425 PolarHBondContact O-N 2.91Å
426R30.8Very low39Very low242 Ų242128.2 Ų128.291%0.91373%0.728SS**  trans160.177.3152.1-88.6162.6-166-148.13.5110.6
427T27.3Very low36.4Very low147 Ų147135.5 Ų135.590%0.90275%0.752SS**  trans-76.1135.3154.916.70000109.1
428S28.1Very low34.3Very low103 Ų103138.6 Ų138.672%0.7278%0.776SS**  trans-137.3139.2166.4-66.10000107.8
429P39.3Very low32.6Very low126 Ų126149.3 Ų149.382%0.81881%0.812SS**  trans-88.1150.8-158.934.1-36.9000113.9
430T27Very low31.2Very low136 Ų136144.1 Ų144.183%0.83481%0.811SS**  trans-157.7161.2157.95.60000107.9
431P33.3Very low30.5Very low128 Ų128148.8 Ų148.883%0.83182%0.817SS**  trans-90.2168.3-13734-39.3000116.4
432A25.8Very low30Very low103 Ų103148.4 Ų148.485%0.85182%0.823SS**  trans-90.3154.8-17700000114.1
433S25.9Very low30.1Very low115 Ų115150.7 Ų150.780%0.80483%0.831SS**  trans-146.4104.6163.261.70000112.1
434N26.5Very low29.9Very low158 Ų158156.2 Ų156.285%0.84584%0.837SS**  trans34.5120.5157.7-65.30.2000123.3
435E27.4Very low29.6Very low143 Ų143155.9 Ų155.967%0.66884%0.835SS**  trans42.3126.6131.5-64.3-140.7123.900122.4R437E435-R437 IonicContact OE1-CZ 3.59Å; E435-R437 IonicContact OE1-NE 3.11Å; E435-R437 PolarHBondContact OE1-NE 2.91Å; E435-R437 VanDerWaalsContact OE1-NE 3.11Å; E435-R437 IonicContact OE1-NH2 3.27Å; E435-R437 PolarHBondContact OE1-NH2 2.96Å
436S27.6Very low29.2Very low123 Ų123152.2 Ų152.286%0.8683%0.829SS**  -154.9158.399.540.60000111.1
437R27.5Very low29Very low216 Ų216148 Ų14882%0.81582%0.824SS**  trans-110.9145.8-168.3-59174.7-172.2-178.8-1.5112.7E435E435-R437 IonicContact OE1-CZ 3.59Å; E435-R437 IonicContact OE1-NE 3.11Å; E435-R437 PolarHBondContact OE1-NE 2.91Å; E435-R437 VanDerWaalsContact OE1-NE 3.11Å; E435-R437 IonicContact OE1-NH2 3.27Å; E435-R437 PolarHBondContact OE1-NH2 2.96Å
438S27.7Very low29.5Very low124 Ų124149.7 Ų149.787%0.86782%0.822SS**  trans-144.3132.2144.558.20000110.4
439R27.3Very low29.6Very low250 Ų250153 Ų15394%0.94383%0.828SS**  trans-104.1136.8175-86.2178.5166.2174.9-4.8109.7
440S25.7Very low29.3Very low120 Ų120153.7 Ų153.784%0.83983%0.829SS**  trans-147147.8157.1570000111.2
441H30.4Very low29.6Very low192 Ų192153 Ų15389%0.88983%0.827SS**  trans-67154.7-157.9-85.3-113.4000117.5
442V29.8Very low29.3Very low123 Ų123154.8 Ų154.875%0.74583%0.827SS**  trans-86.6147.9165.1177.30000109.7
443P35.7Very low29.7Very low123 Ų123161.3 Ų161.380%0.79983%0.829SS**  -127141125.534.4-28.2000112.8
444R30.7Very low29.8Very low232 Ų232163.1 Ų163.188%0.87583%0.83SS**  trans-65.6139170.3-84.3173158.3176.4-5.9110.3
445Q30.1Very low30Very low198 Ų198161.2 Ų161.293%0.92583%0.829SS**  trans-153.9157.9138.7-118.5165.584.400111.8
446S28.6Very low30.1Very low95 Ų95158 Ų15866%0.66484%0.835SS**  trans-96.7146.1-173.152.90000112.4
447N27.5Very low30.2Very low152 Ų152157.8 Ų157.881%0.81383%0.833SS**  -177.1146.4118-89.3-25.6000112.8
448H37Very low31.2Very low184 Ų184152.4 Ų152.485%0.85283%0.826SS**  trans-74.2127.5157.9-79.5-28.5000109.5
449M30.7Very low31.6Very low173 Ų173156 Ų15685%0.85283%0.826SS**  trans-151.9125.8152.2-91.3-59.8102.500109.7
450V33.4Very low31.8Very low139 Ų139149.5 Ų149.584%0.84282%0.819SS**  trans-110.3121168.3177.30000107.5M452V450-M452 PolarHBondContact O-N 2.86Å
451P32.1Very low32Very low122 Ų122148.9 Ų148.979%0.79281%0.814SS**  trans-68.2126.9-178.5-22.934.6000113.3
452M28.9Very low32.5Very low166 Ų166148.3 Ų148.382%0.81881%0.814SS**  trans-71.3142.9167-173.271.7134.800110.4V450V450-M452 PolarHBondContact O-N 2.86Å
453R32.2Very low33Very low240 Ų240151.6 Ų151.691%0.90682%0.819SS**  trans-124.2138162.7-84.8-168170.9-160.4-1.7110.8
454N29.4Very low33.3Very low152 Ų152152.1 Ų152.181%0.81382%0.82SS**  trans-88.8147.6-176.7-70.7-5.1000112.4
455S30Very low34.4Very low118 Ų118150.9 Ų150.983%0.82582%0.821SS**  trans-157116.515258.20000110.6
456G30.1Very low36Very low77 Ų77150 Ų15079%0.79482%0.816SS**  trans-86.9178.4157.700000110
457S28.9Very low37.9Very low117 Ų117150.3 Ų150.382%0.81883%0.825SS**  cis-171.6-175.8-3-154.30000106.4
458P49.9Very low40.3Very low103 Ų103151 Ų15167%0.66982%0.821SS**  cis-115.5170.9-35.338.9-27.9000112
459K34.3Very low42.2Very low199 Ų199149.9 Ų149.987%0.86582%0.821SS**  trans-175.7151.8142.5-103.2148.8-168.9175.80114.4
460S32.7Very low44.4Very low115 Ų115148.3 Ų148.380%0.80482%0.815SS**  trans3091.8162.157.40000118.7M462S460-M462 PolarHBondContact O-N 3.34Å
461S30.1Very low46.7Very low106 Ų106150 Ų15074%0.74181%0.813SS**  trans-82.791.5172.5-178.70000112.6
462M39.8Very low48.9Very low180 Ų180145.4 Ų145.489%0.88779%0.786SS**  trans-83.3126142.9-81.9-163.2166.700107.8S460 T464S460-M462 PolarHBondContact O-N 3.34Å; M462-T464 PolarHBondContact O-N 3.15Å
463K40.5Very low51.4Low193 Ų193141.1 Ų141.184%0.83977%0.769SS**  trans-74.685.9-175.5-75-179.2176.61740111.7K465K463-K465 PolarHBondContact O-N 3.43Å
464T43.3Very low53.5Low134 Ų134139.4 Ų139.482%0.82276%0.763SS**  trans-51.2126.3156.210.30000108.8M462 Q466M462-T464 PolarHBondContact O-N 3.15Å; T464-Q466 PolarHBondContact O-N 3.4Å
465K54Low55.9Low206 Ų206137 Ų13790%0.89675%0.749SS**  trans-63.4110.8175.2-70.7177.2-179.4171.80108.1K463 A467K463-K465 PolarHBondContact O-N 3.43Å; K465-A467 PolarHBondContact O-N 3.29Å
466Q63.3Low58.3Low178 Ų178134.5 Ų134.583%0.83273%0.729SS**  trans-60.6118.7178.3-170.4173.111.800109.1T464T464-Q466 PolarHBondContact O-N 3.4Å
467A67.6Low60.8Low102 Ų102137 Ų13784%0.84372%0.718SS**  trans-70135178.100000110K465K465-A467 PolarHBondContact O-N 3.29Å
468F77.8Confident63.2Low167 Ų167133.5 Ų133.573%0.73269%0.69SS**  trans-146.6147.7176.169.2-84.2000110.7L470F468-L470 HydrophobicContact CD2-CB 4.11Å; F468-L470 HydrophobicContact CE2-CB 3.93Å; F468-L470 HydrophobicContact CE2-CD2 4.42Å
469L77.4Confident64.8Low161 Ų161129.1 Ų129.184%0.84366%0.663SS**  trans-100.7130.7170.2-179.863.6000108.9
470L77.4Confident67.2Low140 Ų140124.5 Ų124.573%0.73364%0.64SS**  trans-119.486.5-179.9-176.763.5000111.9F468 A472F468-L470 HydrophobicContact CD2-CB 4.11Å; F468-L470 HydrophobicContact CE2-CB 3.93Å; F468-L470 HydrophobicContact CE2-CD2 4.42Å; L470-A472 PolarHBondContact O-N 3.31Å
471Q80.6Confident69.5Low173 Ų173122.9 Ų122.981%0.80862%0.619SS**  trans-86.596.3171.6-171.8170.4-7.500110.4T473Q471-T473 PolarHBondContact O-N 3.43Å
472A78.8Confident71.9Confident26 Ų26119.5 Ų119.522%0.21559%0.592CS.*  trans-67116.6179.900000111.9L470 K477L470-A472 PolarHBondContact O-N 3.31Å; A472-K477 VanDerWaalsContact O-CE 3.24Å; A472-K477 WeakPolarHBondContact O-CE 3.14Å
473T82.1Confident74.1Confident77 Ų77110.9 Ų110.947%0.47255%0.55SS.*  trans-63.5161.5-177.970.70000112.8Q471 L475 T476 K477Q471-T473 PolarHBondContact O-N 3.43Å; T473-L475 PolarHBondContact O-N 3.5Å; T473-T476 PolarHBondContact O-N 2.98Å; T473-T476 PolarHBondContact OG1-N 2.78Å; T473-T476 VanDerWaalsContact OG1-N 3.14Å; T473-T476 PolarHBondContact OG1-OG1 2.87Å; T473-T476 VanDerWaalsContact OG1-OG1 3.1Å; T473-K477 WeakPolarHBondContact O-CG 3.27Å; T473-K477 PolarHBondContact O-N 3.24Å
474R76.4Confident76.1Confident203 Ų203108.8 Ų108.877%0.76654%0.537SS*.Hα-helixtrans-56.8-38.8174.3-170.7176.1-179.6177.7-0.8111.7K477 L478R474-K477 WeakPolarHBondContact O-CB 3.03Å; R474-K477 PolarHBondContact O-N 3.24Å; R474-L478 PolarHBondContact O-N 3.23Å
475L78.6Confident77.9Confident101 Ų101106.3 Ų106.353%0.52952%0.519SS..Hα-helixtrans-59.7-51.6174.6-168.670.8000111.8T473 K477 L478 A479 Y509T473-L475 PolarHBondContact O-N 3.5Å; L475-K477 VanDerWaalsContact C-N 3.28Å; L475-K477 PolarHBondContact O-N 2.91Å; L475-L478 PolarHBondContact O-N 2.8Å; L475-L478 VanDerWaalsContact O-N 3.16Å; L475-A479 PolarHBondContact O-N 3.23Å; L475-Y509 HydrophobicContact CD1-CD1 4.44Å; L475-Y509 HydrophobicContact CD1-CE1 3.47Å; L475-Y509 VanDerWaalsContact CD1-CE1 3.47Å; L475-Y509 HydrophobicContact CG-CE1 4.37Å
476T81Confident79.4Confident66 Ų6699.8 Ų99.841%0.40549%0.493SS..Hα-helixtrans-65.9-29.5177.5-53.30000112.6T473 R480T473-T476 PolarHBondContact O-N 2.98Å; T473-T476 PolarHBondContact OG1-N 2.78Å; T473-T476 VanDerWaalsContact OG1-N 3.14Å; T473-T476 PolarHBondContact OG1-OG1 2.87Å; T473-T476 VanDerWaalsContact OG1-OG1 3.1Å; T476-R480 WeakPolarHBondContact O-CG 3.34Å; T476-R480 PolarHBondContact O-N 3.25Å; T476-R480 PolarHBondContact O-NE 2.93Å
477K81.7Confident80.4Confident130 Ų13092.1 Ų92.157%0.56546%0.457SS*.Hα-helixtrans-66.7-44.1171.6-71.9170.9178.4175.50111.4A472 T473 R474 L475A472-K477 VanDerWaalsContact O-CE 3.24Å; A472-K477 WeakPolarHBondContact O-CE 3.14Å; T473-K477 WeakPolarHBondContact O-CG 3.27Å; T473-K477 PolarHBondContact O-N 3.24Å; R474-K477 WeakPolarHBondContact O-CB 3.03Å; R474-K477 PolarHBondContact O-N 3.24Å; L475-K477 VanDerWaalsContact C-N 3.28Å; L475-K477 PolarHBondContact O-N 2.91Å
478L80.2Confident81.2Confident43 Ų4394.4 Ų94.423%0.22544%0.444CS..Hα-helixtrans-72.4-42.2-178.8-171.956.4000112.8R474 L475 R480 H481 M482 Y509 L521R474-L478 PolarHBondContact O-N 3.23Å; L475-L478 PolarHBondContact O-N 2.8Å; L475-L478 VanDerWaalsContact O-N 3.16Å; L478-R480 PolarHBondContact O-N 3.08Å; L478-H481 WeakPolarHBondContact O-CA 3.36Å; L478-H481 WeakPolarHBondContact O-CB 3.47Å; L478-H481 PolarHBondContact O-N 3.22Å; L478-M482 HydrophobicContact CD1-CG 4.26Å; L478-M482 HydrophobicContact CD1-SD 4.23Å; L478-M482 HydrophobicContact CD2-SD 4.33Å; L478-M482 HydrophobicContact CG-CG 4.39Å; L478-M482 HydrophobicContact CG-SD 3.93Å; L478-M482 PolarHBondContact O-N 3.04Å; L478-Y509 HydrophobicContact CB-CE2 4.4Å; L478-Y509 HydrophobicContact CD2-CE2 4.37Å; L478-Y509 HydrophobicContact CG-CE2 4.08Å; L478-L521 HydrophobicContact CD1-CD2 3.74Å
479A82.8Confident81.2Confident12 Ų1289.9 Ų89.910%0.09943%0.427CS..Hα-helixtrans-59-34.5175.300000113L475 H481 C483 I505 Y509L475-A479 PolarHBondContact O-N 3.23Å; A479-H481 PolarHBondContact O-N 3.09Å; A479-C483 WeakPolarHBondContact O-CB 3.44Å; A479-C483 PolarHBondContact O-N 3.47Å; A479-I505 HydrophobicContact CB-CG2 4.5Å; A479-Y509 VanDerWaalsContact CA-CD2 3.48Å; A479-Y509 HydrophobicContact CB-CD2 3.58Å; A479-Y509 HydrophobicContact CB-CE2 4.15Å; A479-Y509 HydrophobicContact CB-CG 3.83Å
480R84.4Confident81.4Confident102 Ų10292 Ų9239%0.38542%0.424SS..Hα-helixtrans-68.3-17.4172.7-73.4-175.2-59-144.24.8114.5T476 L478 I487T476-R480 WeakPolarHBondContact O-CG 3.34Å; T476-R480 PolarHBondContact O-N 3.25Å; T476-R480 PolarHBondContact O-NE 2.93Å; L478-R480 PolarHBondContact O-N 3.08Å; R480-I487 HydrophobicContact CB-CD1 4.41Å; R480-I487 HydrophobicContact CG-CD1 4.21Å
481H81.6Confident81.7Confident80 Ų8092.7 Ų92.737%0.3742%0.417SS..Hα-helixtrans-91.3-49.6174.7-163.787.4000111.1L478 A479 R484L478-H481 WeakPolarHBondContact O-CA 3.36Å; L478-H481 WeakPolarHBondContact O-CB 3.47Å; L478-H481 PolarHBondContact O-N 3.22Å; A479-H481 PolarHBondContact O-N 3.09Å; H481-R484 WeakPolarHBondContact O-CB 3.18Å
482M80.8Confident81.7Confident35 Ų3585.7 Ų85.717%0.17239%0.389CS..Hα-helixtrans-68.5-36.1-176.8-68.5178.871.900113.5L478 Y509 R512 V513 Q517L478-M482 HydrophobicContact CD1-CG 4.26Å; L478-M482 HydrophobicContact CD1-SD 4.23Å; L478-M482 HydrophobicContact CD2-SD 4.33Å; L478-M482 HydrophobicContact CG-CG 4.39Å; L478-M482 HydrophobicContact CG-SD 3.93Å; L478-M482 PolarHBondContact O-N 3.04Å; M482-Y509 HydrophobicContact CB-CD2 4.42Å; M482-Y509 HydrophobicContact SD-CD2 4.09Å; M482-Y509 HydrophobicContact SD-CE2 3.62Å; M482-R512 HydrophobicContact CE-CB 4.09Å; M482-R512 PolarHBondContact O-NH1 3.28Å; M482-V513 HydrophobicContact CE-CG2 4.21Å; M482-Q517 HydrophobicContact CE-CB 4.43Å
483C85.7Confident81.8Confident0 Ų088.5 Ų88.50%041%0.412CS..THydrogen-bonded Turntrans-10229.8-179.4-50.80000112.6A479 D485 I486 I487 I505A479-C483 WeakPolarHBondContact O-CB 3.44Å; A479-C483 PolarHBondContact O-N 3.47Å; C483-D485 WeakPolarHBondContact CA-OD1 3.48Å; C483-D485 PolarHBondContact O-N 2.94Å; C483-I486 PolarHBondContact O-N 2.83Å; C483-I486 VanDerWaalsContact O-N 3.14Å; C483-I487 HydrophobicContact CB-CD1 3.92Å; C483-I487 HydrophobicContact CB-CG1 4.33Å; C483-I487 WeakPolarHBondContact O-CB 3.47Å; C483-I487 WeakPolarHBondContact O-CD1 3.29Å; C483-I487 WeakPolarHBondContact O-CG1 3.43Å; C483-I487 PolarHBondContact O-N 3Å; C483-I505 HydrophobicContact CB-CG2 4.4Å
484R83.5Confident82Confident148 Ų14894.3 Ų94.356%0.55843%0.425SS*.Hα-helixtrans-60.3-30.5-173.4173.4174.4172.8173.1-3.8113.6H481 R488 L489H481-R484 WeakPolarHBondContact O-CB 3.18Å; R484-R488 PolarHBondContact O-N 3.08Å; R484-L489 HydrophobicContact CG-CD1 4.33Å
485D81.3Confident82.4Confident83 Ų8391.7 Ų91.744%0.44442%0.415SS..Hα-helixtrans-63.9-42.4173.754.6-55.7000113.3C483 R488 R512C483-D485 WeakPolarHBondContact CA-OD1 3.48Å; C483-D485 PolarHBondContact O-N 2.94Å; D485-R488 WeakPolarHBondContact O-CG 3.31Å; D485-R488 PolarHBondContact O-NE 2.87Å; D485-R512 IonicContact OD1-CZ 3.74Å; D485-R512 IonicContact OD1-NH1 2.74Å; D485-R512 PolarHBondContact OD1-NH1 2.83Å; D485-R512 IonicContact OD1-NH2 3.56Å; D485-R512 IonicContact OD2-CZ 3.57Å; D485-R512 IonicContact OD2-NH1 3.13Å; D485-R512 PolarHBondContact OD2-NH1 3.07Å; D485-R512 IonicContact OD2-NH2 2.69Å; D485-R512 PolarHBondContact OD2-NH2 3.39Å
486I84Confident82.3Confident69 Ų6991.7 Ų91.735%0.35442%0.421SS..Hα-helixtrans-77.9-46.1175.6-56-169.1000110.7C483 R488 E508C483-I486 PolarHBondContact O-N 2.83Å; C483-I486 VanDerWaalsContact O-N 3.14Å; I486-R488 VanDerWaalsContact C-N 3.28Å; I486-R488 PolarHBondContact O-N 3.39Å; I486-E508 HydrophobicContact CD1-CB 3.95Å; I486-E508 HydrophobicContact CD1-CG 3.52Å
487I84.5Confident82.5Confident16 Ų1698 Ų988%0.08244%0.443CS..Hα-helixtrans-68.8-29.1-175.5-63.2164.9000111.7R480 C483 L489 I505R480-I487 HydrophobicContact CB-CD1 4.41Å; R480-I487 HydrophobicContact CG-CD1 4.21Å; C483-I487 HydrophobicContact CB-CD1 3.92Å; C483-I487 HydrophobicContact CB-CG1 4.33Å; C483-I487 WeakPolarHBondContact O-CB 3.47Å; C483-I487 WeakPolarHBondContact O-CD1 3.29Å; C483-I487 WeakPolarHBondContact O-CG1 3.43Å; C483-I487 PolarHBondContact O-N 3Å; I487-L489 VanDerWaalsContact C-N 3.34Å; I487-L489 HydrophobicContact CG2-CD2 3.51Å; I487-L489 HydrophobicContact CG2-CG 3.87Å; I487-L489 PolarHBondContact O-N 2.8Å; I487-I505 HydrophobicContact CD1-CD1 4.26Å; I487-I505 HydrophobicContact CD1-CG1 4.3Å; I487-I505 HydrophobicContact CD1-CG2 3.86Å; I487-I505 HydrophobicContact CG1-CD1 3.57Å; I487-I505 HydrophobicContact CG1-CG1 3.7Å; I487-I505 HydrophobicContact CG1-CG2 4.22Å
488R83.8Confident82.6Confident151 Ų15195 Ų9557%0.5744%0.436SS*.THydrogen-bonded Turntrans49.852.2177.3-60.9178.9174.3-175.5-7.6111.6R484 D485 I486 R490 R491 A492R484-R488 PolarHBondContact O-N 3.08Å; D485-R488 WeakPolarHBondContact O-CG 3.31Å; D485-R488 PolarHBondContact O-NE 2.87Å; I486-R488 VanDerWaalsContact C-N 3.28Å; I486-R488 PolarHBondContact O-N 3.39Å; R488-R490 VanDerWaalsContact C-N 3.27Å; R488-R490 PolarHBondContact O-N 2.86Å; R488-R491 HydrophobicContact CB-CB 4.26Å; R488-R491 WeakPolarHBondContact O-CA 3.46Å; R488-R491 WeakPolarHBondContact O-CB 3.19Å; R488-R491 PolarHBondContact O-N 2.55Å; R488-A492 PolarHBondContact O-N 3.07Å; R488-A492 VanDerWaalsContact O-N 3.16Å
489L79.3Confident82.5Confident72 Ų7298.8 Ų98.838%0.37746%0.463SS..Hα-helixtrans-45.1-42-169.9-70.2167.7000114.8R484 I487 R491 A492 A493R484-L489 HydrophobicContact CG-CD1 4.33Å; I487-L489 VanDerWaalsContact C-N 3.34Å; I487-L489 HydrophobicContact CG2-CD2 3.51Å; I487-L489 HydrophobicContact CG2-CG 3.87Å; I487-L489 PolarHBondContact O-N 2.8Å; L489-R491 PolarHBondContact O-N 3.3Å; L489-A492 PolarHBondContact O-N 2.92Å; L489-A493 WeakPolarHBondContact O-CB 3.46Å; L489-A493 PolarHBondContact O-N 2.98Å
490R80.2Confident82.6Confident205 Ų205102.3 Ų102.377%0.77448%0.479SS*.Hα-helixtrans-63.9-18.6176.5-76.3-176.4174.3171.1-3.7114.7R488 R494R488-R490 VanDerWaalsContact C-N 3.27Å; R488-R490 PolarHBondContact O-N 2.86Å; R490-R494 PolarHBondContact O-NE 2.84Å; R490-R494 PolarHBondContact O-NH2 3.05Å
491R83.9Confident82.6Confident154 Ų154102.7 Ų102.758%0.58149%0.489SS*.Hα-helixtrans-93.9-44.9174.4-172.5-178.5-73.1-166.5-2110.2R488 L489 R494 R495R488-R491 HydrophobicContact CB-CB 4.26Å; R488-R491 WeakPolarHBondContact O-CA 3.46Å; R488-R491 WeakPolarHBondContact O-CB 3.19Å; R488-R491 PolarHBondContact O-N 2.55Å; L489-R491 PolarHBondContact O-N 3.3Å; R491-R494 PolarHBondContact O-N 3.31Å; R491-R495 PolarHBondContact O-N 2.79Å
492A81.5Confident82.6Confident26 Ų26102.7 Ų102.722%0.21550%0.497CS..Hα-helixtrans-59.6-46.1177.200000112.7R488 L489 R494 R495 I500R488-A492 PolarHBondContact O-N 3.07Å; R488-A492 VanDerWaalsContact O-N 3.16Å; L489-A492 PolarHBondContact O-N 2.92Å; A492-R494 PolarHBondContact O-N 3.05Å; A492-R494 VanDerWaalsContact O-N 3.09Å; A492-R495 CarbonylContact O-C 3.52Å; A492-R495 PolarHBondContact O-N 2.72Å; A492-I500 HydrophobicContact CB-CD1 3.99Å
493A81.6Confident82.7Confident85 Ų85103.2 Ų103.270%0.70251%0.511SS*.THydrogen-bonded Turntrans-61.6-20.1179.100000114.3L489L489-A493 WeakPolarHBondContact O-CB 3.46Å; L489-A493 PolarHBondContact O-N 2.98Å
494R86.2Confident82.6Confident200 Ų200105.1 Ų105.176%0.75553%0.527SS*.THydrogen-bonded Turntrans-101.24.3175.9-70.5-177.2-71.6169.5-0.8113.4R490 R491 A492R490-R494 PolarHBondContact O-NE 2.84Å; R490-R494 PolarHBondContact O-NH2 3.05Å; R491-R494 PolarHBondContact O-N 3.31Å; A492-R494 PolarHBondContact O-N 3.05Å; A492-R494 VanDerWaalsContact O-N 3.09Å
495R83.8Confident82.7Confident148 Ų14899 Ų9956%0.55851%0.505SS*.  trans-139.762.1179.5-59.6-168.979.6-172.83.5110.9R491 A492 F497 V498R491-R495 PolarHBondContact O-N 2.79Å; A492-R495 CarbonylContact O-C 3.52Å; A492-R495 PolarHBondContact O-N 2.72Å; R495-F497 PolarHBondContact O-N 2.75Å; R495-V498 HydrophobicContact CB-CB 4.18Å; R495-V498 HydrophobicContact CB-CG2 3.84Å; R495-V498 PolarHBondContact O-N 3.39Å
496P77.3Confident82.8Confident100 Ų100102.3 Ų102.365%0.64952%0.515SS*.THydrogen-bonded Turntrans-62.4-19.6-170.226.1-36.2000114.8
497F84.3Confident82.9Confident199 Ų199101.7 Ų101.787%0.87352%0.521SS*.THydrogen-bonded Turntrans-93.8-0.5178.7-51.4-61000114.1R495R495-F497 PolarHBondContact O-N 2.75Å
498V83.2Confident83Confident68 Ų68103.5 Ų103.541%0.41253%0.529SS..SBendtrans-88.9122.8175.7175.60000109.1R495 I500R495-V498 HydrophobicContact CB-CB 4.18Å; R495-V498 HydrophobicContact CB-CG2 3.84Å; R495-V498 PolarHBondContact O-N 3.39Å; V498-I500 PolarHBondContact O-N 3.17Å
499P79.6Confident83Confident122 Ų12297.5 Ų97.579%0.79251%0.507SS*.PPolyproline II helixtrans-65.2133.2-179.226.6-34.2000111.2
500I84.4Confident83.2Confident86 Ų8699.8 Ų99.844%0.44152%0.517SS..PPolyproline II helixtrans-90.4130.3174.5-59.5174.8000108.1A492 V498 C502 I505A492-I500 HydrophobicContact CB-CD1 3.99Å; V498-I500 PolarHBondContact O-N 3.17Å; I500-C502 VanDerWaalsContact C-N 3.3Å; I500-C502 PolarHBondContact O-N 2.96Å; I500-C502 PolarHBondContact O-SG 3.25Å; I500-C502 VanDerWaalsContact O-SG 3.33Å; I500-I505 HydrophobicContact CG2-CD1 3.37Å
501N84.4Confident83.5Confident110 Ų11094.4 Ų94.459%0.58850%0.503SS*.  trans-71.484.1178.8-172.8-13.1000111.5G503 A504 I505N501-G503 PolarHBondContact O-N 3.38Å; N501-G503 PolarHBondContact OD1-N 3.15Å; N501-G503 VanDerWaalsContact OD1-N 3.14Å; N501-A504 HydrophobicContact CB-CB 4.32Å; N501-A504 PolarHBondContact O-N 3.21Å; N501-A504 PolarHBondContact OD1-N 2.88Å; N501-I505 VanDerWaalsContact O-CD1 3.31Å; N501-I505 WeakPolarHBondContact O-CD1 3.41Å; N501-I505 WeakPolarHBondContact O-CG1 3.5Å; N501-I505 PolarHBondContact O-N 3.19Å
502C81.8Confident83.4Confident80 Ų8089 Ų8954%0.54148%0.482SS..Hα-helixtrans-67.7-15.7179.7-63.10000113.7I500 K506I500-C502 VanDerWaalsContact C-N 3.3Å; I500-C502 PolarHBondContact O-N 2.96Å; I500-C502 PolarHBondContact O-SG 3.25Å; I500-C502 VanDerWaalsContact O-SG 3.33Å; C502-K506 VanDerWaalsContact O-CG 3.29Å; C502-K506 WeakPolarHBondContact O-CG 3.42Å; C502-K506 PolarHBondContact O-N 3.49Å
503G82Confident83.3Confident45 Ų4590.3 Ų90.346%0.46449%0.488SS..Hα-helixtrans-72.6-56.4172.800000111.1N501 I505 K506 A507N501-G503 PolarHBondContact O-N 3.38Å; N501-G503 PolarHBondContact OD1-N 3.15Å; N501-G503 VanDerWaalsContact OD1-N 3.14Å; G503-I505 VanDerWaalsContact C-N 3.28Å; G503-I505 PolarHBondContact O-N 3.33Å; G503-K506 WeakPolarHBondContact O-CB 3.46Å; G503-K506 PolarHBondContact O-N 3.07Å; G503-A507 PolarHBondContact O-N 3.29Å
504A85.1Confident83Confident40 Ų4090.7 Ų90.733%0.33149%0.485SS..Hα-helixtrans-56.1-41.6177.700000112.3N501 K506 A507 E508N501-A504 HydrophobicContact CB-CB 4.32Å; N501-A504 PolarHBondContact O-N 3.21Å; N501-A504 PolarHBondContact OD1-N 2.88Å; A504-K506 VanDerWaalsContact C-N 3.32Å; A504-K506 PolarHBondContact O-N 2.81Å; A504-A507 PolarHBondContact O-N 3.5Å; A504-E508 WeakPolarHBondContact O-CB 3.38Å; A504-E508 PolarHBondContact O-N 3.3Å
505I85Confident82.5Confident20 Ų2086.7 Ų86.710%0.10348%0.475CS..Hα-helixtrans-63.1-36.3177.6-64.6158.7000112.3A479 C483 I487 I500 N501 G503 Y509A479-I505 HydrophobicContact CB-CG2 4.5Å; C483-I505 HydrophobicContact CB-CG2 4.4Å; I487-I505 HydrophobicContact CD1-CD1 4.26Å; I487-I505 HydrophobicContact CD1-CG1 4.3Å; I487-I505 HydrophobicContact CD1-CG2 3.86Å; I487-I505 HydrophobicContact CG1-CD1 3.57Å; I487-I505 HydrophobicContact CG1-CG1 3.7Å; I487-I505 HydrophobicContact CG1-CG2 4.22Å; I500-I505 HydrophobicContact CG2-CD1 3.37Å; N501-I505 VanDerWaalsContact O-CD1 3.31Å; N501-I505 WeakPolarHBondContact O-CD1 3.41Å; N501-I505 WeakPolarHBondContact O-CG1 3.5Å; N501-I505 PolarHBondContact O-N 3.19Å; G503-I505 VanDerWaalsContact C-N 3.28Å; G503-I505 PolarHBondContact O-N 3.33Å; I505-Y509 WeakPolarHBondContact O-CB 3.45Å; I505-Y509 PolarHBondContact O-N 2.94Å; I505-Y509 VanDerWaalsContact O-N 3.11Å
506K83.9Confident81.6Confident152 Ų15281.7 Ų81.766%0.66147%0.469SS*.Hα-helixtrans-71-43.7176.2-77.3174.9176.5-173.30111.3C502 G503 A504 Y509 M510C502-K506 VanDerWaalsContact O-CG 3.29Å; C502-K506 WeakPolarHBondContact O-CG 3.42Å; C502-K506 PolarHBondContact O-N 3.49Å; G503-K506 WeakPolarHBondContact O-CB 3.46Å; G503-K506 PolarHBondContact O-N 3.07Å; A504-K506 VanDerWaalsContact C-N 3.32Å; A504-K506 PolarHBondContact O-N 2.81Å; K506-Y509 PolarHBondContact O-N 3.15Å; K506-M510 WeakPolarHBondContact O-CG 3.19Å; K506-M510 PolarHBondContact O-N 3.03Å
507A85.4Confident80.8Confident57 Ų5782.1 Ų82.147%0.47146%0.463SS..Hα-helixtrans-60.9-52.6177.700000111.2G503 A504 Y509 M510 L511G503-A507 PolarHBondContact O-N 3.29Å; A504-A507 PolarHBondContact O-N 3.5Å; A507-Y509 VanDerWaalsContact C-N 3.31Å; A507-Y509 PolarHBondContact O-N 3.01Å; A507-M510 PolarHBondContact O-N 3.14Å; A507-M510 VanDerWaalsContact O-N 3.13Å; A507-L511 WeakPolarHBondContact O-CG 3.45Å; A507-L511 PolarHBondContact O-N 3.39Å
508E86.3Confident79.5Confident54 Ų5474.2 Ų74.225%0.25244%0.437SS..Hα-helixtrans-56.3-44.2177-169.574.9-170.800112.2I486 A504 M510 L511 R512I486-E508 HydrophobicContact CD1-CB 3.95Å; I486-E508 HydrophobicContact CD1-CG 3.52Å; A504-E508 WeakPolarHBondContact O-CB 3.38Å; A504-E508 PolarHBondContact O-N 3.3Å; E508-M510 VanDerWaalsContact C-N 3.33Å; E508-M510 PolarHBondContact O-N 3.42Å; E508-L511 PolarHBondContact O-N 3.31Å; E508-R512 HydrophobicContact CG-CG 4.45Å; E508-R512 WeakPolarHBondContact O-CG 3.36Å; E508-R512 PolarHBondContact O-N 3.17Å; E508-R512 IonicContact OE1-CZ 3.11Å; E508-R512 IonicContact OE1-NE 2.78Å; E508-R512 PolarHBondContact OE1-NE 3.39Å; E508-R512 IonicContact OE1-NH2 3.89Å; E508-R512 PolarHBondContact OE1-NH2 2.96Å
509Y84.9Confident77.9Confident25 Ų2577.2 Ų77.210%0.09846%0.456CS..Hα-helixtrans-62.4-41.2179.1174.8-92.1000111.9L475 L478 A479 M482 I505 K506 A507 V513L475-Y509 HydrophobicContact CD1-CD1 4.44Å; L475-Y509 HydrophobicContact CD1-CE1 3.47Å; L475-Y509 VanDerWaalsContact CD1-CE1 3.47Å; L475-Y509 HydrophobicContact CG-CE1 4.37Å; L478-Y509 HydrophobicContact CB-CE2 4.4Å; L478-Y509 HydrophobicContact CD2-CE2 4.37Å; L478-Y509 HydrophobicContact CG-CE2 4.08Å; A479-Y509 VanDerWaalsContact CA-CD2 3.48Å; A479-Y509 HydrophobicContact CB-CD2 3.58Å; A479-Y509 HydrophobicContact CB-CE2 4.15Å; A479-Y509 HydrophobicContact CB-CG 3.83Å; M482-Y509 HydrophobicContact CB-CD2 4.42Å; M482-Y509 HydrophobicContact SD-CD2 4.09Å; M482-Y509 HydrophobicContact SD-CE2 3.62Å; I505-Y509 WeakPolarHBondContact O-CB 3.45Å; I505-Y509 PolarHBondContact O-N 2.94Å; I505-Y509 VanDerWaalsContact O-N 3.11Å; K506-Y509 PolarHBondContact O-N 3.15Å; A507-Y509 VanDerWaalsContact C-N 3.31Å; A507-Y509 PolarHBondContact O-N 3.01Å; Y509-V513 HydrophobicContact CD1-CG2 4.37Å; Y509-V513 HydrophobicContact CD2-CG2 4.46Å; Y509-V513 HydrophobicContact CE1-CG2 3.82Å; Y509-V513 HydrophobicContact CE2-CG2 3.98Å; Y509-V513 WeakPolarHBondContact O-CB 3.44Å; Y509-V513 VanDerWaalsContact O-CG2 3.23Å; Y509-V513 WeakPolarHBondContact O-CG2 3.4Å; Y509-V513 PolarHBondContact O-N 3.03Å; Y509-V513 VanDerWaalsContact O-N 3.1Å
510M83Confident76.6Confident120 Ų12082 Ų8259%0.59146%0.458SS*.Hα-helixtrans-65.5-43.8176.4-68.7-58.9-61.100111.2K506 A507 E508 V513 S514K506-M510 WeakPolarHBondContact O-CG 3.19Å; K506-M510 PolarHBondContact O-N 3.03Å; A507-M510 PolarHBondContact O-N 3.14Å; A507-M510 VanDerWaalsContact O-N 3.13Å; E508-M510 VanDerWaalsContact C-N 3.33Å; E508-M510 PolarHBondContact O-N 3.42Å; M510-V513 PolarHBondContact O-N 3.08Å; M510-S514 PolarHBondContact O-N 2.86Å; M510-S514 PolarHBondContact O-OG 3.04Å; M510-S514 VanDerWaalsContact O-OG 3.09Å
511L85.4Confident75Confident92 Ų9283.3 Ų83.348%0.48247%0.465SS..Hα-helixtrans-58.7-54.5177-69.7170.8000111.9A507 E508 V513 S514 E515A507-L511 WeakPolarHBondContact O-CG 3.45Å; A507-L511 PolarHBondContact O-N 3.39Å; E508-L511 PolarHBondContact O-N 3.31Å; L511-V513 PolarHBondContact O-N 3.3Å; L511-V513 VanDerWaalsContact O-N 3.15Å; L511-S514 WeakPolarHBondContact CA-OG 3.45Å; L511-S514 PolarHBondContact O-N 2.89Å; L511-S514 PolarHBondContact O-OG 3.15Å; L511-E515 WeakPolarHBondContact O-CG 3.34Å; L511-E515 PolarHBondContact O-N 3.5Å
512R82.4Confident73.5Confident39 Ų3981.8 Ų81.815%0.14746%0.461CS..Hα-helixtrans-62.7-22.9178.4-64.6-175.5-167.9-1780.1113M482 D485 E508 Q517M482-R512 HydrophobicContact CE-CB 4.09Å; M482-R512 PolarHBondContact O-NH1 3.28Å; D485-R512 IonicContact OD1-CZ 3.74Å; D485-R512 IonicContact OD1-NH1 2.74Å; D485-R512 PolarHBondContact OD1-NH1 2.83Å; D485-R512 IonicContact OD1-NH2 3.56Å; D485-R512 IonicContact OD2-CZ 3.57Å; D485-R512 IonicContact OD2-NH1 3.13Å; D485-R512 PolarHBondContact OD2-NH1 3.07Å; D485-R512 IonicContact OD2-NH2 2.69Å; D485-R512 PolarHBondContact OD2-NH2 3.39Å; E508-R512 HydrophobicContact CG-CG 4.45Å; E508-R512 WeakPolarHBondContact O-CG 3.36Å; E508-R512 PolarHBondContact O-N 3.17Å; E508-R512 IonicContact OE1-CZ 3.11Å; E508-R512 IonicContact OE1-NE 2.78Å; E508-R512 PolarHBondContact OE1-NE 3.39Å; E508-R512 IonicContact OE1-NH2 3.89Å; E508-R512 PolarHBondContact OE1-NH2 2.96Å; R512-Q517 VanDerWaalsContact O-CB 3.29Å; R512-Q517 WeakPolarHBondContact O-CB 3.34Å; R512-Q517 PolarHBondContact O-N 3.33Å
513V80Confident72Confident54 Ų5487.7 Ų87.733%0.32748%0.478SS..Iπ-helixtrans-78-41.6171.8166.30000112M482 Y509 M510 L511 E515 G516M482-V513 HydrophobicContact CE-CG2 4.21Å; Y509-V513 HydrophobicContact CD1-CG2 4.37Å; Y509-V513 HydrophobicContact CD2-CG2 4.46Å; Y509-V513 HydrophobicContact CE1-CG2 3.82Å; Y509-V513 HydrophobicContact CE2-CG2 3.98Å; Y509-V513 WeakPolarHBondContact O-CB 3.44Å; Y509-V513 VanDerWaalsContact O-CG2 3.23Å; Y509-V513 WeakPolarHBondContact O-CG2 3.4Å; Y509-V513 PolarHBondContact O-N 3.03Å; Y509-V513 VanDerWaalsContact O-N 3.1Å; M510-V513 PolarHBondContact O-N 3.08Å; L511-V513 PolarHBondContact O-N 3.3Å; L511-V513 VanDerWaalsContact O-N 3.15Å; V513-E515 VanDerWaalsContact C-N 3.31Å; V513-E515 PolarHBondContact O-N 3.18Å; V513-G516 PolarHBondContact O-N 3.18Å
514S75.3Confident70.6Confident94 Ų9491 Ų9166%0.65749%0.489SS*.Iπ-helixtrans-66.7-30.2173.342.20000113.3M510 L511 G516M510-S514 PolarHBondContact O-N 2.86Å; M510-S514 PolarHBondContact O-OG 3.04Å; M510-S514 VanDerWaalsContact O-OG 3.09Å; L511-S514 WeakPolarHBondContact CA-OG 3.45Å; L511-S514 PolarHBondContact O-N 2.89Å; L511-S514 PolarHBondContact O-OG 3.15Å; S514-G516 PolarHBondContact O-N 3.43Å
515E75.8Confident69.1Low116 Ų116100.4 Ų100.454%0.54252%0.516SS..Iπ-helixtrans-73.615.3173.2-68.4167.7-171.700113.8L511 V513 Q517L511-E515 WeakPolarHBondContact O-CG 3.34Å; L511-E515 PolarHBondContact O-N 3.5Å; V513-E515 VanDerWaalsContact C-N 3.31Å; V513-E515 PolarHBondContact O-N 3.18Å; E515-Q517 HydrophobicContact CB-CG 4.38Å; E515-Q517 PolarHBondContact O-N 3.04Å; E515-Q517 VanDerWaalsContact O-N 3.08Å; E515-Q517 PolarHBondContact OE2-NE2 3.11Å
516G64.8Low67.8Low42 Ų42103.9 Ų103.943%0.43355%0.548SS..Iπ-helixtrans75.9-9.8175.200000116V513 S514 G518 T519V513-G516 PolarHBondContact O-N 3.18Å; S514-G516 PolarHBondContact O-N 3.43Å; G516-G518 PolarHBondContact O-N 3.07Å; G516-T519 PolarHBondContact O-OG1 2.97Å
517Q59.7Low66.9Low110 Ų110101 Ų10151%0.51455%0.553SS.*Iπ-helixtrans-67.6-6.5-176.9-48.1168.818.200113.4M482 R512 E515M482-Q517 HydrophobicContact CE-CB 4.43Å; R512-Q517 VanDerWaalsContact O-CB 3.29Å; R512-Q517 WeakPolarHBondContact O-CB 3.34Å; R512-Q517 PolarHBondContact O-N 3.33Å; E515-Q517 HydrophobicContact CB-CG 4.38Å; E515-Q517 PolarHBondContact O-N 3.04Å; E515-Q517 VanDerWaalsContact O-N 3.08Å; E515-Q517 PolarHBondContact OE2-NE2 3.11Å
518G56.7Low66.5Low32 Ų32107.6 Ų107.633%0.3357%0.574SS.*THydrogen-bonded Turntrans-80.5-11.9-17900000116.6G516G516-G518 PolarHBondContact O-N 3.07Å
519T50.1Low66.2Low131 Ų131116 Ų11680%0.80460%0.603SS**SBendtrans-88.9-12.6-166.454.50000115.9G516G516-T519 PolarHBondContact O-OG1 2.97Å
520R51.2Low66.3Low224 Ų224118.5 Ų118.585%0.84562%0.624SS**  trans-120.1105.2169.8-78.8-173.5172.5-176.1-0.8111P522R520-P522 VanDerWaalsContact O-CD 3.27Å; R520-P522 WeakPolarHBondContact O-CD 3.49Å
521L52.2Low66.7Low113 Ų113117 Ų11759%0.59262%0.622SS**  trans-56.3119.7162-76.2166.9000108.8L478 K523L478-L521 HydrophobicContact CD1-CD2 3.74Å; L521-K523 PolarHBondContact O-N 3.34Å
522P52Low66.7Low77 Ų77118.9 Ų118.950%0.563%0.632SS.*  trans-59.9123.9168.4-19.832.8000107.8R520 T524R520-P522 VanDerWaalsContact O-CD 3.27Å; R520-P522 WeakPolarHBondContact O-CD 3.49Å; P522-T524 PolarHBondContact O-N 2.9Å
523K49.9Very low67Low205 Ų205121.9 Ų121.989%0.89165%0.654SS**  trans-54.7112170.3-80.4-173.8177.2-179.70106.8L521 R525L521-K523 PolarHBondContact O-N 3.34Å; K523-R525 PolarHBondContact O-N 3.32Å
524T53.8Low67.4Low114 Ų114122 Ų12270%0.69966%0.658SS**  trans-70.682.1-179.850.10000108.8P522 A526P522-T524 PolarHBondContact O-N 2.9Å; T524-A526 PolarHBondContact O-N 3.39Å
525R53.9Low67.9Low237 Ų237120.2 Ų120.289%0.89464%0.643SS**  trans-48.8118.3163.8-77.4-174.4171.6-179.7-2.5106.2K523 A527K523-R525 PolarHBondContact O-N 3.32Å; R525-A527 PolarHBondContact O-N 3.17Å; R525-A527 VanDerWaalsContact O-N 3.1Å
526A57.2Low68.4Low93 Ų93118.5 Ų118.577%0.76964%0.637SS**  trans-56.7121172.900000106.8T524 Q528T524-A526 PolarHBondContact O-N 3.39Å; A526-Q528 PolarHBondContact O-N 3.15Å
527A64.6Low69.4Low93 Ų93122.8 Ų122.877%0.76965%0.646SS**  trans-63.4107.4175.900000107R525 R529R525-A527 PolarHBondContact O-N 3.17Å; R525-A527 VanDerWaalsContact O-N 3.1Å; A527-R529 PolarHBondContact O-N 3.03Å
528Q78.4Confident70.7Confident195 Ų195123.1 Ų123.191%0.91165%0.646SS**  trans-57.5115.7-175.7-165.5171.67.300107.8A526A526-Q528 PolarHBondContact O-N 3.15Å
529R79.6Confident71.9Confident229 Ų229126.6 Ų126.686%0.86466%0.656SS**PPolyproline II helixtrans-76.4140.6178-64.4-176.9-179.5-177.81107.7A527A527-R529 PolarHBondContact O-N 3.03Å
530S87.3Confident73.5Confident78 Ų78126.8 Ų126.855%0.54565%0.648SS.*PPolyproline II helixtrans-56.8142165.345.90000109.5V535S530-V535 WeakPolarHBondContact OG-CG2 3.41Å
531T89.9Confident74.9Confident88 Ų88120.1 Ų120.154%0.5464%0.636SS.*PPolyproline II helixtrans-66156.6172.956.10000110T533 S534 V535T531-T533 PolarHBondContact O-N 3.39Å; T531-S534 PolarHBondContact O-N 3.16Å; T531-S534 VanDerWaalsContact O-N 3.16Å; T531-S534 WeakPolarHBondContact OG1-CB 3.41Å; T531-S534 PolarHBondContact OG1-N 3.37Å; T531-V535 PolarHBondContact O-N 2.67Å; T531-V535 VanDerWaalsContact O-N 3.15Å
532L85.9Confident75.9Confident132 Ų132123.1 Ų123.169%0.69164%0.639SS**Hα-helixtrans-56.4-42.9175.4-179.759.7000110.9S534 V535 L536L532-S534 PolarHBondContact O-N 2.97Å; L532-V535 WeakPolarHBondContact O-CB 3.35Å; L532-V535 PolarHBondContact O-N 3.09Å; L532-L536 HydrophobicContact CD1-CG 4.38Å; L532-L536 HydrophobicContact CG-CD1 4.11Å; L532-L536 HydrophobicContact CG-CG 4.41Å; L532-L536 WeakPolarHBondContact O-CG 3.37Å; L532-L536 PolarHBondContact O-N 3.43Å
533T88.7Confident76.6Confident102 Ų102124.8 Ų124.863%0.62665%0.65SS**Hα-helixtrans-54.3-46.5175.2-33.40000112.5T531 V535 L536 Q537T531-T533 PolarHBondContact O-N 3.39Å; T533-V535 VanDerWaalsContact C-N 3.28Å; T533-V535 PolarHBondContact O-N 3.24Å; T533-L536 PolarHBondContact O-N 3.35Å; T533-Q537 WeakPolarHBondContact O-CB 3.29Å; T533-Q537 PolarHBondContact O-N 2.9Å
534S88.4Confident77.1Confident56 Ų56123.3 Ų123.339%0.39265%0.648SS.*Hα-helixtrans-65.9-29.4177.4169.70000112.8T531 L532 F538T531-S534 PolarHBondContact O-N 3.16Å; T531-S534 VanDerWaalsContact O-N 3.16Å; T531-S534 WeakPolarHBondContact OG1-CB 3.41Å; T531-S534 PolarHBondContact OG1-N 3.37Å; L532-S534 PolarHBondContact O-N 2.97Å; S534-F538 WeakPolarHBondContact O-CB 3.36Å; S534-F538 PolarHBondContact O-N 3.26Å
535V86.1Confident77.2Confident57 Ų57122.4 Ų122.435%0.34565%0.653SS.*Hα-helixtrans-76.9-39.5175.4176.80000111.4S530 T531 L532 T533 F538 L539S530-V535 WeakPolarHBondContact OG-CG2 3.41Å; T531-V535 PolarHBondContact O-N 2.67Å; T531-V535 VanDerWaalsContact O-N 3.15Å; L532-V535 WeakPolarHBondContact O-CB 3.35Å; L532-V535 PolarHBondContact O-N 3.09Å; T533-V535 VanDerWaalsContact C-N 3.28Å; T533-V535 PolarHBondContact O-N 3.24Å; V535-F538 PolarHBondContact O-N 2.93Å; V535-L539 HydrophobicContact CG1-CD1 4.27Å; V535-L539 WeakPolarHBondContact O-CG 3.35Å; V535-L539 PolarHBondContact O-N 2.95Å
536L85.2Confident77.2Confident80 Ų80120.2 Ų120.242%0.41965%0.652SS.*Hα-helixtrans-62.5-51.2174.9-68.5171000110.9L532 T533 F538 L539 E540L532-L536 HydrophobicContact CD1-CG 4.38Å; L532-L536 HydrophobicContact CG-CD1 4.11Å; L532-L536 HydrophobicContact CG-CG 4.41Å; L532-L536 WeakPolarHBondContact O-CG 3.37Å; L532-L536 PolarHBondContact O-N 3.43Å; T533-L536 PolarHBondContact O-N 3.35Å; L536-F538 PolarHBondContact O-N 3.16Å; L536-L539 WeakPolarHBondContact O-CA 3.37Å; L536-L539 WeakPolarHBondContact O-CB 3.08Å; L536-L539 PolarHBondContact O-N 3.06Å; L536-E540 WeakPolarHBondContact O-CG 3.31Å; L536-E540 PolarHBondContact O-N 2.89Å
537Q87.4Confident76.8Confident133 Ų133119.5 Ų119.562%0.62165%0.646SS**Hα-helixtrans-59.6-30.9177.5-162.8177.82400113.1T533 S541T533-Q537 WeakPolarHBondContact O-CB 3.29Å; T533-Q537 PolarHBondContact O-N 2.9Å; Q537-S541 WeakPolarHBondContact O-CB 3.33Å; Q537-S541 PolarHBondContact O-N 3.27Å; Q537-S541 VanDerWaalsContact O-N 3.11Å; Q537-S541 PolarHBondContact O-OG 3.34Å
538F86.4Confident75.9Confident116 Ų116121 Ų12151%0.50965%0.648SS.*Hα-helixtrans-73-26.9173.3177.1-93000113.7S534 V535 L536 S541S534-F538 WeakPolarHBondContact O-CB 3.36Å; S534-F538 PolarHBondContact O-N 3.26Å; V535-F538 PolarHBondContact O-N 2.93Å; L536-F538 PolarHBondContact O-N 3.16Å; F538-S541 PolarHBondContact O-OG 3Å
539L82.1Confident74.3Confident106 Ų106123.5 Ų123.556%0.55565%0.649SS**Hα-helixtrans-83-41.6174.8-67.5167.3000111.1V535 L536 S541 R542V535-L539 HydrophobicContact CG1-CD1 4.27Å; V535-L539 WeakPolarHBondContact O-CG 3.35Å; V535-L539 PolarHBondContact O-N 2.95Å; L536-L539 WeakPolarHBondContact O-CA 3.37Å; L536-L539 WeakPolarHBondContact O-CB 3.08Å; L536-L539 PolarHBondContact O-N 3.06Å; L539-S541 PolarHBondContact O-N 3.42Å; L539-R542 CarbonylContact O-C 3.59Å; L539-R542 VanDerWaalsContact O-C 3.23Å; L539-R542 PolarHBondContact O-N 3.34Å
540E82.8Confident72.5Confident135 Ų135117.9 Ų117.963%0.63165%0.645SS**Hα-helixtrans-63.5-39177.5-71.1156-168.600112.2L536 R542 P543L536-E540 WeakPolarHBondContact O-CG 3.31Å; L536-E540 PolarHBondContact O-N 2.89Å; E540-R542 PolarHBondContact O-N 3.24Å; E540-R542 VanDerWaalsContact O-N 3.15Å; E540-P543 WeakPolarHBondContact O-CD 3.43Å
541S81.3Confident70.4Confident84 Ų84122.7 Ų122.759%0.58766%0.658SS**THydrogen-bonded Turntrans-72.33.2172.754.20000114.4Q537 F538 L539Q537-S541 WeakPolarHBondContact O-CB 3.33Å; Q537-S541 PolarHBondContact O-N 3.27Å; Q537-S541 VanDerWaalsContact O-N 3.11Å; Q537-S541 PolarHBondContact O-OG 3.34Å; F538-S541 PolarHBondContact O-OG 3Å; L539-S541 PolarHBondContact O-N 3.42Å
542R73.4Confident68Low175 Ų175130.4 Ų130.466%0.6668%0.678SS**SBendtrans-140.662.8178-65.7-173.6172.4-141.2-5.8111.5L539 E540 M544L539-R542 CarbonylContact O-C 3.59Å; L539-R542 VanDerWaalsContact O-C 3.23Å; L539-R542 PolarHBondContact O-N 3.34Å; E540-R542 PolarHBondContact O-N 3.24Å; E540-R542 VanDerWaalsContact O-N 3.15Å; R542-M544 PolarHBondContact O-N 3.33Å
543P66.7Low65.7Low112 Ų112130.6 Ų130.673%0.72769%0.685SS**PPolyproline II helixtrans-57.4141177.126.7-34.8000110.6E540 A545E540-P543 WeakPolarHBondContact O-CD 3.43Å; P543-A545 PolarHBondContact O-N 2.82Å
544M60.2Low63.2Low175 Ų175130.3 Ų130.386%0.86269%0.692SS**PPolyproline II helixtrans-67.4119.1176.7-74.5-167.9-179.200110R542 H546R542-M544 PolarHBondContact O-N 3.33Å; M544-H546 PolarHBondContact O-N 2.75Å
545A56.3Low60.6Low95 Ų95130.8 Ų130.879%0.78571%0.706SS**PPolyproline II helixtrans-57.9123.115800000108.5P543 A547P543-A545 PolarHBondContact O-N 2.82Å; A545-A547 PolarHBondContact O-N 3.3Å
546H53.6Low58.3Low190 Ų190135.5 Ų135.588%0.8873%0.729SS**  trans-73.568.5-178.8-100.5-96.5000111.6M544M544-H546 PolarHBondContact O-N 2.75Å
547A48.3Very low55.9Low79 Ų79140.8 Ų140.865%0.65375%0.751SS**  trans-66.9131.1165.800000109.4A545 R549A545-A547 PolarHBondContact O-N 3.3Å; A547-R549 PolarHBondContact O-N 3.02Å
548P46.5Very low53.4Low125 Ų125139.7 Ų139.781%0.81275%0.754SS**  trans-60.8135.5176.225-33.2000110S550P548-S550 PolarHBondContact O-N 3.21Å
549R44.1Very low51.1Low247 Ų247139.3 Ų139.393%0.93276%0.763SS**  trans-68.5100.5-178.8-75.8-178.6175164.10.7110.2A547A547-R549 PolarHBondContact O-N 3.02Å
550S41.2Very low48.8Very low111 Ų111139.7 Ų139.778%0.77677%0.772SS**  trans-53.1145.3161.3-173.30000110.2P548P548-S550 PolarHBondContact O-N 3.21Å
551H43.8Very low46.5Very low178 Ų178139.2 Ų139.282%0.82478%0.78SS**  trans-55.7146.1-168.9-63.7-93.5000112.4T553H551-T553 PolarHBondContact O-N 2.92Å
552R39.8Very low44.2Very low250 Ų250146.6 Ų146.694%0.94380%0.795SS**  trans-51.6115.1174.1-87.4-179.2166.1176.8-2.7110.1A554R552-A554 PolarHBondContact O-N 3.06Å
553T37Very low42.3Very low137 Ų137150 Ų15084%0.8481%0.808SS**PPolyproline II helixtrans-57.3134.8161.834.90000109.2H551 G555H551-T553 PolarHBondContact O-N 2.92Å; T553-G555 PolarHBondContact O-N 3.29Å
554A37.3Very low40.6Very low95 Ų95152.7 Ų152.779%0.78582%0.816SS**PPolyproline II helixtrans-59.1126.4-178.300000110.4R552 L556R552-A554 PolarHBondContact O-N 3.06Å; A554-L556 PolarHBondContact O-N 2.96Å
555G33.3Very low39.1Very low66 Ų66152.1 Ų152.168%0.6882%0.815SS**PPolyproline II helixtrans-60.2136.4177.500000110.7T553 Q557T553-G555 PolarHBondContact O-N 3.29Å; G555-Q557 PolarHBondContact O-N 3.4Å
556L36.9Very low37.8Very low156 Ų156152.9 Ų152.982%0.81782%0.815SS**  trans-60.498.6-173.5-77.880.5000112.2A554 T558A554-L556 PolarHBondContact O-N 2.96Å; L556-T558 HydrophobicContact CB-CG2 4.41Å; L556-T558 HydrophobicContact CD2-CG2 4.35Å; L556-T558 PolarHBondContact O-N 3.36Å
557Q35.3Very low36.5Very low191 Ų191148.3 Ų148.389%0.89380%0.804SS**  trans-75.279.5156.2-69.1-158.853.600109.1G555 P559G555-Q557 PolarHBondContact O-N 3.4Å; Q557-P559 VanDerWaalsContact O-CD 3.27Å; Q557-P559 WeakPolarHBondContact O-CD 3.21Å
558T35.4Very low35.5Very low110 Ų110152.2 Ų152.268%0.67581%0.813SS**  trans-70.8115.9165.648.90000109L556L556-T558 HydrophobicContact CB-CG2 4.41Å; L556-T558 HydrophobicContact CD2-CG2 4.35Å; L556-T558 PolarHBondContact O-N 3.36Å
559P37.2Very low35.1Very low109 Ų109150.7 Ų150.771%0.70880%0.803SS**PPolyproline II helixtrans-64.6152.1172.128.6-34.6000110.2Q557Q557-P559 VanDerWaalsContact O-CD 3.27Å; Q557-P559 WeakPolarHBondContact O-CD 3.21Å
560P35.2Very low34.4Very low114 Ų114148 Ų14874%0.7480%0.801SS**PPolyproline II helixtrans-64.8145.3176.328.2-34.6000110.6R562P560-R562 PolarHBondContact O-N 2.92Å
561P33Very low33.7Very low124 Ų124146.3 Ų146.381%0.80580%0.801SS**PPolyproline II helixtrans-66123.3-177.926.7-34.1000110.9R563P561-R563 PolarHBondContact O-N 3.14Å
562R34.6Very low33.5Very low240 Ų240143.1 Ų143.191%0.90680%0.796SS**PPolyproline II helixtrans-61123.2162.7-74.8-174.3170.8-158.1-2.4108P560 L564P560-R562 PolarHBondContact O-N 2.92Å; R562-L564 PolarHBondContact O-N 3.24Å
563R33.5Very low33Very low245 Ų245140.2 Ų140.293%0.92579%0.792SS**PPolyproline II helixtrans-69.2123.7165.2-74.4-172.5177-170.7-1.1108P561P561-R563 PolarHBondContact O-N 3.14Å
564L29.1Very low32.6Very low169 Ų169136.9 Ų136.989%0.88579%0.785SS**PPolyproline II helixtrans-75.8130.2166.1-67.7169.1000108.7R562R562-L564 PolarHBondContact O-N 3.24Å
565L30.3Very low32.2Very low164 Ų164140.1 Ų140.186%0.85979%0.786SS**  trans-133146.9158.1-80.7174.1000107.7
566S28.3Very low32.2Very low110 Ų110144.8 Ų144.877%0.76980%0.795SS**  trans-62.3123.3-154.4-44.40000117.2
567S26.1Very low31.8Very low94 Ų94140.8 Ų140.866%0.65779%0.792SS**  45.9124.312764.30000123.4
568L28.4Very low31.5Very low162 Ų162141.4 Ų141.485%0.84879%0.791SS**  trans76.9155.5139.8-62.5164.9000119.4
569P37Very low31.1Very low92 Ų92147.6 Ų147.660%0.59780%0.802SS**  cis-144175.1-35.239.6-22.2000117.4
570H28.7Very low30.6Very low192 Ų192147.6 Ų147.689%0.88981%0.805SS**  trans77.2143.4160.5-62.4113.2000122
571G28.2Very low30.1Very low75 Ų75152.2 Ų152.277%0.77381%0.809SS**  trans129.8112.817200000115
572P38.2Very low29.7Very low110 Ų110154.2 Ų154.271%0.71481%0.807SS**  trans-116.2-171.6-168.640.6-30.8000117.2
573H29.6Very low29.3Very low189 Ų189150.9 Ų150.988%0.87580%0.802SS**  trans81.6134179.4-48.5-80.5000116.9
574G28Very low28.9Very low67 Ų67147 Ų14769%0.69179%0.794SS**  cis175.1150.7-12.400000116
575M30.6Very low28.8Very low164 Ų164144.7 Ų144.781%0.80879%0.792SS**  trans66.8121.2149.1-58.9-58.1-86.900123.2
576L31.8Very low28.6Very low163 Ų163148.5 Ų148.585%0.85380%0.795SS**  trans66.2155.8144.8-57.3172.5000119
577G28.5Very low28.4Very low73 Ų73147.8 Ų147.875%0.75380%0.795SS**  cis-173.4155.1-6.400000111.8
578K29.6Very low28.5Very low204 Ų204150.6 Ų150.689%0.88780%0.803SS**  trans-98.8147.7177.2-63178.7179.5179.40111.5
579R28Very low29Very low239 Ų239148.3 Ų148.390%0.90280%0.798SS**  177.6157.2118.6-98.6169.4-175.4-144.21113.1
580S25.9Very low28.7Very low110 Ų110151 Ų15177%0.76980%0.802SS**  trans-85.9167.1168.3-37.80000111.3
581Y24.3Very low28.7Very low211 Ų211150.6 Ų150.683%0.82779%0.793SS**  trans-147.1145.1152.7-111.4-79000112
582H25.5Very low28.7Very low165 Ų165157.5 Ų157.576%0.76480%0.796SS**  trans-81.9166.9159.8-91.3-90000109.8
583H26.4Very low28.2Very low171 Ų171156.1 Ų156.179%0.79279%0.789SS**  trans-153.4172.8133.1-122.6-85.2000113
584H25.4Very low27.9Very low163 Ų163155.2 Ų155.276%0.75579%0.785SS**  trans-106.5166.3-164.6-64.4-104.3000114.4
585S26.2Very low27.8Very low120 Ų120159.5 Ų159.584%0.83979%0.792SS**  trans-71.5147170.4-23.50000113.7
586R25.1Very low28.7Very low245 Ų245157.5 Ų157.593%0.92579%0.791SS**  trans-165.9141.9141.4-127.3178.6175.3169.1-2115.7
587A25.6Very low28.5Very low94 Ų94153.4 Ų153.478%0.77779%0.788SS**  trans17.1144149.500000125
588D27Very low28.4Very low153 Ų153154.8 Ų154.882%0.81879%0.787SS**  trans-58.3161.9158.1-100.3-60.9000115.1
589P39.8Very low28.4Very low114 Ų114151.7 Ų151.774%0.7479%0.785SS**  -156156.984.440.6-20.9000120.2
590E30.2Very low28.3Very low150 Ų150144.2 Ų144.270%0.70178%0.782SS**  trans49.7148.2155.4-65.4-148.3131.200120
591R28.7Very low28.2Very low182 Ų182142.6 Ų142.669%0.68778%0.783SS**  cis-176.4140.337.9-148171.1-127.8-154.2-0.7113.4
592R28.3Very low29.1Very low220 Ų220138 Ų13883%0.8378%0.779SS**  trans56.1157.5151.3-74.1176.7-170.7-167-0.8120.2
593S27.3Very low29.1Very low81 Ų81137.6 Ų137.657%0.56678%0.781SS**  cis-157.3154.63.6-122.70000114.7
594E24.2Very low29.2Very low170 Ų170137.6 Ų137.679%0.79479%0.785SS**  trans54.1101.1142.9-68.1153.2126.900124.8
595N26.2Very low29.2Very low158 Ų158137.2 Ų137.285%0.84578%0.784SS**  31.2168.1108.6-92.42.2000123.6
596P49.3Very low29.2Very low121 Ų121138.7 Ų138.779%0.78678%0.782SS**  cis-141.4-177.4-2138.5-19.1000116.5
597G26Very low29.2Very low77 Ų77130.7 Ų130.779%0.79478%0.776SS**  trans118.5150.3158.300000116.4
598S28.2Very low29.1Very low103 Ų103137.7 Ų137.772%0.7278%0.782SS**  cis-157.7146.4-0.7-171.40000113.3
599T28Very low29Very low138 Ų138136.4 Ų136.485%0.84779%0.785SS**  trans39.2134.8148.252.90000123.7
600G26.6Very low28.3Very low83 Ų83136.2 Ų136.286%0.85679%0.787SS**  trans143.5107.9135.600000118.7
601G24.5Very low28Very low75 Ų75134.8 Ų134.877%0.77379%0.793SS**  trans-112.1-157152.900000110.1
602P42.1Very low27.8Very low115 Ų115132.2 Ų132.275%0.74780%0.803SS**  cis-142.2-175.52.244-25.8000115.8
603L27.1Very low27.7Very low156 Ų156125.3 Ų125.382%0.81780%0.801SS**  trans49.6135.7146.2-72.1161.5000122.9
604I27.8Very low27.6Very low171 Ų171128.9 Ų128.988%0.87781%0.814SS**  -169.5167.4112.1-99165.2000110.6
605H25.3Very low27.8Very low155 Ų155127.4 Ų127.472%0.71882%0.816SS**  trans-141.4166.3-158.8-169.374.4000113.1
606N26.7Very low28Very low152 Ų152131.8 Ų131.881%0.81382%0.821SS**  trans71.6155.9164.5-96.7-22.9000121.4
607G23.9Very low26.9Very low77 Ų77129.3 Ų129.379%0.79482%0.817SS**  trans139.194.9157.900000117.4
608R24.6Very low27Very low241 Ų241129.9 Ų129.991%0.90982%0.823SS**  trans-97146.5160.7-82.6179167.6-177.1-2.8109.9
609S24.9Very low27Very low126 Ų126131.2 Ų131.288%0.88183%0.827SS**  177.8163.8119.4-81.30000114.2
610S24.4Very low27Very low110 Ų110133.3 Ų133.377%0.76983%0.829SS**  trans-90.3155-16952.50000115.7
611S24.1Very low27.1Very low120 Ų120136.9 Ų136.984%0.83983%0.827SS**  -177.8154.7110.347.90000115.3
612S24.5Very low27.4Very low127 Ų127144.7 Ų144.789%0.88883%0.833SS**  trans20126.4160.6-151.60000122.5
613G25.1Very low26.9Very low76 Ų76148.8 Ų148.878%0.78484%0.839SS**  trans-172.8101.6164.100000111.7
614N26.8Very low27.1Very low156 Ų156152.7 Ų152.783%0.83484%0.843SS**  trans-99.9116.3-163.3-171.819.5000113.5
615T27.6Very low27.3Very low139 Ų139155.6 Ų155.685%0.85384%0.843SS**  trans-148.8144163.4-3.90000112.4
616R30.7Very low27.7Very low250 Ų250153.8 Ų153.894%0.94385%0.845SS**  trans-87.8128.4-178.3-70.2173.7169.9166.5-4.6111.8
617G26.1Very low28Very low69 Ų69151.3 Ų151.371%0.71183%0.831SS**  trans-161.7117.2168.500000111.3V619G617-V619 PolarHBondContact O-N 3.28Å
618G28.5Very low28.5Very low89 Ų89158.6 Ų158.692%0.91884%0.835SS**  trans-79.4111.2-172.600000113.3
619V27.5Very low28.9Very low131 Ų131154 Ų15479%0.79483%0.827SS**  trans-94.9128.7174.4-178.50000110.6G617 I621G617-V619 PolarHBondContact O-N 3.28Å; V619-I621 PolarHBondContact O-N 3.29Å; V619-I621 VanDerWaalsContact O-N 3.15Å
620M28.7Very low29.4Very low182 Ų182153.6 Ų153.690%0.89782%0.815SS**  trans-69.1109.3175.2-73.8-171-78.800111.1R622M620-R622 PolarHBondContact O-N 3.05Å
621I28.6Very low29.8Very low157 Ų157151.3 Ų151.381%0.80580%0.803SS**  trans-66.4106.7174.2-61.2177.6000109.3V619 K623V619-I621 PolarHBondContact O-N 3.29Å; V619-I621 VanDerWaalsContact O-N 3.15Å; I621-K623 PolarHBondContact O-N 3.14Å; I621-K623 VanDerWaalsContact O-N 3.09Å
622R30.3Very low30.2Very low239 Ų239151 Ų15190%0.90280%0.798SS**  trans-59.1110.6163-105.9-178.9169.2178.2-2.9108.2M620 R624M620-R622 PolarHBondContact O-N 3.05Å; R622-R624 PolarHBondContact O-N 3.45Å
623K31.3Very low30.5Very low201 Ų201151.9 Ų151.987%0.87479%0.793SS**  trans-56.9108.8169.9-72.3-170.8174.1-170.80109.3I621I621-K623 PolarHBondContact O-N 3.14Å; I621-K623 VanDerWaalsContact O-N 3.09Å
624R31.2Very low30.9Very low239 Ų239155.9 Ų155.990%0.90280%0.796SS**PPolyproline II helixtrans-59137.8157.7-84.7-175.2168-127.22107.3R622R622-R624 PolarHBondContact O-N 3.45Å
625R33Very low31.4Very low232 Ų232152.6 Ų152.688%0.87579%0.785SS**PPolyproline II helixtrans-68.3139.4160.6-79.2-179.1165.2-177.1-6.7107.7
626P33.1Very low31.7Very low116 Ų116155.7 Ų155.775%0.75379%0.788SS**PPolyproline II helixtrans-55.5152.7165.4-2434.8000111
627N32.1Very low32.2Very low100 Ų100151.6 Ų151.654%0.53578%0.777SS.*PPolyproline II helixtrans-81.9134.8170.8-178.838.4000108.5I629 D630N627-I629 PolarHBondContact O-N 3.27Å; N627-D630 WeakPolarHBondContact CB-OD2 3.45Å; N627-D630 PolarHBondContact ND2-OD2 3.1Å; N627-D630 PolarHBondContact O-N 3.3Å
628W35.5Very low32.7Very low231 Ų231155.6 Ų155.688%0.87578%0.781SS**THydrogen-bonded Turntrans-76.30.3-174.4-74.790.9000114.1
629I33.3Very low33.5Very low143 Ų143154 Ų15473%0.73375%0.753SS**THydrogen-bonded Turntrans-82.3-24172.3-99.266.6000111.7N627N627-I629 PolarHBondContact O-N 3.27Å
630D35.5Very low34.8Very low118 Ų118150.3 Ų150.363%0.63173%0.731SS**SBendtrans-10730.6-170.5-49.7-77.6000112.3N627N627-D630 WeakPolarHBondContact CB-OD2 3.45Å; N627-D630 PolarHBondContact ND2-OD2 3.1Å; N627-D630 PolarHBondContact O-N 3.3Å
631A32.4Very low36.1Very low63 Ų63150.3 Ų150.352%0.52172%0.721SS.*PPolyproline II helixtrans-87.1126.6177.300000110.1
632P32.2Very low37.4Very low113 Ų113148.2 Ų148.273%0.73471%0.708SS**PPolyproline II helixtrans-71.1147.8175.430.5-34.8000111.3
633D31Very low38.9Very low146 Ų146139.4 Ų139.478%0.78168%0.681SS**PPolyproline II helixtrans-63.9159.6-171.9-60.4-70.1000115.2S635D633-S635 PolarHBondContact O-N 3.06Å; D633-S635 PolarHBondContact O-OG 3.14Å
634D33.9Very low40.5Very low160 Ų160136.8 Ų136.886%0.85667%0.665SS**  trans-57.899.9-175.7-85-39.5000112.4F636D634-F636 PolarHBondContact O-N 3.21Å
635S36.3Very low42.3Very low86 Ų86132.9 Ų132.960%0.60165%0.651SS**  trans-84.1109.4-171.6-58.90000111.9D633 F637D633-S635 PolarHBondContact O-N 3.06Å; D633-S635 PolarHBondContact O-OG 3.14Å; S635-F637 WeakPolarHBondContact O-CD2 3.24Å; S635-F637 WeakPolarHBondContact O-CE2 3.39Å; S635-F637 PolarHBondContact O-N 3.33Å
636F33.7Very low43.8Very low205 Ų205123.2 Ų123.290%0.89962%0.62SS**  trans-70.2114.2177.4-73.8-92.7000112.5D634 L638D634-F636 PolarHBondContact O-N 3.21Å; F636-L638 PolarHBondContact O-N 3.1Å
637F41Very low45.4Very low163 Ų163124.1 Ų124.172%0.71561%0.609SS**  trans-87.888.6-176.8-78-85000113.9S635 V639S635-F637 WeakPolarHBondContact O-CD2 3.24Å; S635-F637 WeakPolarHBondContact O-CE2 3.39Å; S635-F637 PolarHBondContact O-N 3.33Å; F637-V639 PolarHBondContact O-N 2.92Å
638L38.2Very low47.4Very low153 Ų153129.6 Ų129.680%0.80162%0.622SS**  trans-71.8118.3173-169.170.1000112.3F636 T640F636-L638 PolarHBondContact O-N 3.1Å; L638-T640 PolarHBondContact O-N 2.96Å; L638-T640 VanDerWaalsContact O-N 3.12Å
639V45.6Very low49.2Very low56 Ų56124.7 Ų124.734%0.33961%0.612SS.*  trans-8978.3-175.5-171.70000112.3F637 R644F637-V639 PolarHBondContact O-N 2.92Å; V639-R644 PolarHBondContact O-NH2 3.32Å
640T53.6Low51.1Low53 Ų53118.9 Ų118.933%0.32558%0.583SS.*  trans-57.7170.1176.387.10000113.6L638 E642 T643 R644L638-T640 PolarHBondContact O-N 2.96Å; L638-T640 VanDerWaalsContact O-N 3.12Å; T640-E642 VanDerWaalsContact C-N 3.27Å; T640-E642 WeakPolarHBondContact CB-OE2 3.49Å; T640-E642 PolarHBondContact O-N 3.3Å; T640-E642 PolarHBondContact OG1-N 3.35Å; T640-E642 PolarHBondContact OG1-OE2 3.26Å; T640-T643 PolarHBondContact N-OG1 2.95Å; T640-T643 VanDerWaalsContact N-OG1 3.15Å; T640-T643 PolarHBondContact O-OG1 3.16Å; T640-T643 PolarHBondContact OG1-N 3.41Å; T640-R644 WeakPolarHBondContact O-CB 3.35Å; T640-R644 PolarHBondContact O-N 2.87Å; T640-R644 VanDerWaalsContact O-N 3.17Å
641R57.1Low53Low183 Ų183115.8 Ų115.869%0.69157%0.57SS**Hα-helixtrans-68.1-28.7178.9-158.2175.6-171.6-175.74112.1R645R641-R645 WeakPolarHBondContact O-CG 3.5Å; R641-R645 PolarHBondContact O-N 3.06Å; R641-R645 VanDerWaalsContact O-N 3.13Å
642E55.3Low54.6Low113 Ų113122.8 Ų122.853%0.52858%0.583SS.*Hα-helixtrans-73.3-49.5177.9-58.159.2-118.300109.8T640 R644 R645 A646T640-E642 VanDerWaalsContact C-N 3.27Å; T640-E642 WeakPolarHBondContact CB-OE2 3.49Å; T640-E642 PolarHBondContact O-N 3.3Å; T640-E642 PolarHBondContact OG1-N 3.35Å; T640-E642 PolarHBondContact OG1-OE2 3.26Å; E642-R644 PolarHBondContact O-N 2.91Å; E642-R645 CarbonylContact O-C 3.57Å; E642-R645 WeakPolarHBondContact O-CA 3.42Å; E642-R645 WeakPolarHBondContact O-CB 3.33Å; E642-R645 PolarHBondContact O-N 3.44Å; E642-A646 WeakPolarHBondContact O-CB 3.18Å; E642-A646 PolarHBondContact O-N 3.04Å
643T60.9Low56.4Low54 Ų54121.3 Ų121.333%0.33158%0.575SS.*Hα-helixtrans-59.9-35.9176.764.50000111.4T640 A646 R647T640-T643 PolarHBondContact N-OG1 2.95Å; T640-T643 VanDerWaalsContact N-OG1 3.15Å; T640-T643 PolarHBondContact O-OG1 3.16Å; T640-T643 PolarHBondContact OG1-N 3.41Å; T643-A646 PolarHBondContact O-N 3.11Å; T643-R647 WeakPolarHBondContact O-CB 3.46Å; T643-R647 WeakPolarHBondContact O-CG 3.42Å; T643-R647 PolarHBondContact O-N 3.05Å
644R66.6Low58.3Low145 Ų145119 Ų11955%0.54756%0.56SS.*Hα-helixtrans-68.7-30.1175.1-141.6177.5-57.2-176.52113.3V639 T640 E642 R648V639-R644 PolarHBondContact O-NH2 3.32Å; T640-R644 WeakPolarHBondContact O-CB 3.35Å; T640-R644 PolarHBondContact O-N 2.87Å; T640-R644 VanDerWaalsContact O-N 3.17Å; E642-R644 PolarHBondContact O-N 2.91Å; R644-R648 WeakPolarHBondContact O-CG 3.36Å
645R67.7Low60Low157 Ų157114 Ų11459%0.59253%0.533SS*.Hα-helixtrans-75.6-47.7170.3-76.1169.2167.4169.3-6.5111.3R641 E642 R647 R648R641-R645 WeakPolarHBondContact O-CG 3.5Å; R641-R645 PolarHBondContact O-N 3.06Å; R641-R645 VanDerWaalsContact O-N 3.13Å; E642-R645 CarbonylContact O-C 3.57Å; E642-R645 WeakPolarHBondContact O-CA 3.42Å; E642-R645 WeakPolarHBondContact O-CB 3.33Å; E642-R645 PolarHBondContact O-N 3.44Å; R645-R647 VanDerWaalsContact C-N 3.34Å; R645-R647 PolarHBondContact O-N 3.39Å; R645-R648 WeakPolarHBondContact O-CB 3.34Å; R645-R648 PolarHBondContact O-N 2.82Å
646A65.6Low61.5Low29 Ų29117.3 Ų117.324%0.2453%0.532CS..Hα-helixtrans-56-44.7177.800000112.5E642 T643 R648 L649 L668E642-A646 WeakPolarHBondContact O-CB 3.18Å; E642-A646 PolarHBondContact O-N 3.04Å; T643-A646 PolarHBondContact O-N 3.11Å; A646-R648 PolarHBondContact O-N 2.9Å; A646-L649 WeakPolarHBondContact O-CB 3.27Å; A646-L649 PolarHBondContact O-N 3.3Å; A646-L668 HydrophobicContact CB-CD1 3.89Å
647R66.9Low63.1Low135 Ų135112.5 Ų112.551%0.50951%0.512SS..G310 helixtrans-59.9-24.9175.4-76.9177.5176.4176.70.7113.9T643 R645 L655T643-R647 WeakPolarHBondContact O-CB 3.46Å; T643-R647 WeakPolarHBondContact O-CG 3.42Å; T643-R647 PolarHBondContact O-N 3.05Å; R645-R647 VanDerWaalsContact C-N 3.34Å; R645-R647 PolarHBondContact O-N 3.39Å; R647-L655 HydrophobicContact CB-CD2 4.45Å; R647-L655 HydrophobicContact CG-CD2 4.3Å
648R73.7Confident64.1Low215 Ų215105.7 Ų105.781%0.81149%0.486SS*.G310 helixtrans-80.8-14.3175.4-66.5176.2178.6-164.9-2.4113.6R644 R645 A646R644-R648 WeakPolarHBondContact O-CG 3.36Å; R645-R648 WeakPolarHBondContact O-CB 3.34Å; R645-R648 PolarHBondContact O-N 2.82Å; A646-R648 PolarHBondContact O-N 2.9Å
649L73.4Confident64.9Low128 Ų128103.7 Ų103.767%0.6748%0.484SS*.G310 helixtrans-90.6-2.6174.8-59.2176000112.7A646 L668A646-L649 WeakPolarHBondContact O-CB 3.27Å; A646-L649 PolarHBondContact O-N 3.3Å; L649-L668 HydrophobicContact CB-CD2 4.36Å
650L72.9Confident65.5Low21 Ų21110.9 Ų110.911%0.1151%0.505CS..SBendtrans-103.3134.5179.9-66.3174.2000111Q654 L655 I666 L668L650-Q654 HydrophobicContact CB-CB 4.36Å; L650-Q654 HydrophobicContact CD2-CB 4.14Å; L650-L655 HydrophobicContact CB-CD2 3.91Å; L650-L655 HydrophobicContact CB-CG 3.83Å; L650-L655 HydrophobicContact CD1-CD2 3.85Å; L650-I666 HydrophobicContact CD1-CD1 4.13Å; L650-I666 HydrophobicContact CD1-CG2 4.1Å; L650-I666 HydrophobicContact CD2-CG2 3.72Å; L650-L668 HydrophobicContact CD2-CD2 3.57Å; L650-L668 HydrophobicContact CG-CD2 3.95Å
651S75.7Confident65.7Low54 Ų54112.8 Ų112.838%0.37851%0.51SS..  trans-65.4157.4172.668.50000111.9S653 Q654 L655S651-S653 PolarHBondContact O-N 3.02Å; S651-S653 PolarHBondContact OG-N 2.67Å; S651-Q654 VanDerWaalsContact CB-OE1 3.28Å; S651-Q654 PolarHBondContact O-N 2.85Å; S651-Q654 VanDerWaalsContact O-N 3.07Å; S651-Q654 PolarHBondContact OG-N 2.91Å; S651-Q654 PolarHBondContact OG-OE1 2.75Å; S651-L655 PolarHBondContact O-N 2.8Å
652R65.5Low65.2Low210 Ų210109 Ų10979%0.79251%0.51SS*.Hα-helixtrans-53.6-21.5169-104.2179.9164.7-174.2-5.2113.3R656R652-R656 WeakPolarHBondContact O-CG 3.23Å; R652-R656 PolarHBondContact O-NE 3Å
653S69.8Low64.8Low81 Ų81109.7 Ų109.757%0.56653%0.525SS*.Hα-helixtrans-76.9-52.8172.9-158.60000111.5S651 L655 R656 H657S651-S653 PolarHBondContact O-N 3.02Å; S651-S653 PolarHBondContact OG-N 2.67Å; S653-L655 PolarHBondContact O-N 3.38Å; S653-R656 PolarHBondContact O-N 3.1Å; S653-R656 VanDerWaalsContact O-N 3.08Å; S653-H657 PolarHBondContact O-N 3.31Å
654Q71.8Confident64.5Low97 Ų97111.4 Ų111.445%0.45353%0.529SS..Hα-helixtrans-61.7-39.8-179.7-70.7155.5-57.900112.5L650 S651 R656 H657 A658L650-Q654 HydrophobicContact CB-CB 4.36Å; L650-Q654 HydrophobicContact CD2-CB 4.14Å; S651-Q654 VanDerWaalsContact CB-OE1 3.28Å; S651-Q654 PolarHBondContact O-N 2.85Å; S651-Q654 VanDerWaalsContact O-N 3.07Å; S651-Q654 PolarHBondContact OG-N 2.91Å; S651-Q654 PolarHBondContact OG-OE1 2.75Å; Q654-R656 VanDerWaalsContact C-N 3.32Å; Q654-R656 PolarHBondContact O-N 3.33Å; Q654-H657 WeakPolarHBondContact O-CB 3.39Å; Q654-H657 PolarHBondContact O-N 2.94Å; Q654-H657 VanDerWaalsContact O-N 3.13Å; Q654-A658 PolarHBondContact O-N 3.5Å
655L68.5Low63.8Low55 Ų55113.3 Ų113.329%0.28854%0.544SS..Hα-helixtrans-59.2-41.7173.6-71.1169000111.9R647 L650 S651 S653 H657 A658 C659R647-L655 HydrophobicContact CB-CD2 4.45Å; R647-L655 HydrophobicContact CG-CD2 4.3Å; L650-L655 HydrophobicContact CB-CD2 3.91Å; L650-L655 HydrophobicContact CB-CG 3.83Å; L650-L655 HydrophobicContact CD1-CD2 3.85Å; S651-L655 PolarHBondContact O-N 2.8Å; S653-L655 PolarHBondContact O-N 3.38Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-H657 PolarHBondContact O-N 2.78Å; L655-A658 PolarHBondContact O-N 3.15Å; L655-C659 PolarHBondContact O-N 3.13Å; L655-C659 PolarHBondContact O-SG 3.46Å
656R67.7Low63.4Low156 Ų156110 Ų11059%0.58954%0.537SS*.Hα-helixtrans-73.7-20.1176.9-72.5-179.5-65.7-167.25.3113.5R652 S653 Q654 R660R652-R656 WeakPolarHBondContact O-CG 3.23Å; R652-R656 PolarHBondContact O-NE 3Å; S653-R656 PolarHBondContact O-N 3.1Å; S653-R656 VanDerWaalsContact O-N 3.08Å; Q654-R656 VanDerWaalsContact C-N 3.32Å; Q654-R656 PolarHBondContact O-N 3.33Å; R656-R660 VanDerWaalsContact O-CD 3.28Å; R656-R660 WeakPolarHBondContact O-CD 3.29Å; R656-R660 VanDerWaalsContact O-CG 3.31Å; R656-R660 WeakPolarHBondContact O-CG 3.47Å
657H66.8Low63Low104 Ų104114.5 Ų114.548%0.48156%0.562SS.*Hα-helixtrans-75.4-51.2169.1-161.7-88.8000110.8S653 Q654 L655 C659 R660 Q661 E664S653-H657 PolarHBondContact O-N 3.31Å; Q654-H657 WeakPolarHBondContact O-CB 3.39Å; Q654-H657 PolarHBondContact O-N 2.94Å; Q654-H657 VanDerWaalsContact O-N 3.13Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-H657 PolarHBondContact O-N 2.78Å; H657-C659 PolarHBondContact O-N 3.18Å; H657-R660 WeakPolarHBondContact O-CA 3.47Å; H657-R660 WeakPolarHBondContact O-CB 3.4Å; H657-R660 PolarHBondContact O-N 2.94Å; H657-Q661 PolarHBondContact CE1-NE2 3.01Å; H657-Q661 PolarHBondContact O-N 3.32Å; H657-E664 IonicContact CE1-OE2 2.81Å; H657-E664 PolarHBondContact CE1-OE2 3.29Å; H657-E664 IonicContact ND1-OE2 3.13Å; H657-E664 PolarHBondContact ND1-OE2 3.04Å; H657-E664 VanDerWaalsContact ND1-OE2 3.11Å
658A62.3Low62.5Low20 Ų20111.7 Ų111.717%0.16556%0.557CS.*Hα-helixtrans-56.8-45.1178.800000112.5Q654 L655 R660 Q661 I666Q654-A658 PolarHBondContact O-N 3.5Å; L655-A658 PolarHBondContact O-N 3.15Å; A658-R660 PolarHBondContact O-N 3.22Å; A658-Q661 CarbonylContact O-C 3.49Å; A658-Q661 PolarHBondContact O-N 3.08Å; A658-Q661 VanDerWaalsContact O-N 3.08Å; A658-I666 HydrophobicContact CB-CD1 3.52Å; A658-I666 HydrophobicContact CB-CG1 4.19Å
659C55Low61.4Low112 Ų112112.7 Ų112.776%0.75756%0.561SS**THydrogen-bonded Turntrans-65.7-6.8175.5-64.10000114.5L655 H657L655-C659 PolarHBondContact O-N 3.13Å; L655-C659 PolarHBondContact O-SG 3.46Å; H657-C659 PolarHBondContact O-N 3.18Å
660R58.3Low59.8Low207 Ų207118.4 Ų118.478%0.78157%0.574SS**THydrogen-bonded Turntrans-104.7-13.4174-68.7173.6176.7-176.4-3.3113.2R656 H657 A658R656-R660 VanDerWaalsContact O-CD 3.28Å; R656-R660 WeakPolarHBondContact O-CD 3.29Å; R656-R660 VanDerWaalsContact O-CG 3.31Å; R656-R660 WeakPolarHBondContact O-CG 3.47Å; H657-R660 WeakPolarHBondContact O-CA 3.47Å; H657-R660 WeakPolarHBondContact O-CB 3.4Å; H657-R660 PolarHBondContact O-N 2.94Å; A658-R660 PolarHBondContact O-N 3.22Å
661Q57.8Low58.1Low93 Ų93123.6 Ų123.644%0.43561%0.606SS.*  trans-137.674.4174.8-61.6-155.9105.700109.5H657 A658 C663 E664H657-Q661 PolarHBondContact CE1-NE2 3.01Å; H657-Q661 PolarHBondContact O-N 3.32Å; A658-Q661 CarbonylContact O-C 3.49Å; A658-Q661 PolarHBondContact O-N 3.08Å; A658-Q661 VanDerWaalsContact O-N 3.08Å; Q661-C663 PolarHBondContact O-N 3.09Å; Q661-C663 VanDerWaalsContact O-N 3.09Å; Q661-E664 HydrophobicContact CB-CB 3.77Å; Q661-E664 PolarHBondContact NE2-OE1 2.93Å; Q661-E664 PolarHBondContact NE2-OE2 2.9Å; Q661-E664 WeakPolarHBondContact O-CB 3.34Å; Q661-E664 PolarHBondContact O-N 2.79Å
662P47.3Very low56Low104 Ų104126.6 Ų126.668%0.67563%0.627SS**THydrogen-bonded Turntrans-63.9-18.3-17225.3-35000114.4
663C47.3Very low54.5Low126 Ų126125.5 Ų125.585%0.85163%0.63SS**THydrogen-bonded Turntrans-92.72.4177.2-480000113.7Q661Q661-C663 PolarHBondContact O-N 3.09Å; Q661-C663 VanDerWaalsContact O-N 3.09Å
664E54.2Low52.6Low91 Ų91124.8 Ų124.843%0.42564%0.635SS.*SBendtrans-93.1123.7-176.6-172176.7-130.100111.3H657 Q661 I666H657-E664 IonicContact CE1-OE2 2.81Å; H657-E664 PolarHBondContact CE1-OE2 3.29Å; H657-E664 IonicContact ND1-OE2 3.13Å; H657-E664 PolarHBondContact ND1-OE2 3.04Å; H657-E664 VanDerWaalsContact ND1-OE2 3.11Å; Q661-E664 HydrophobicContact CB-CB 3.77Å; Q661-E664 PolarHBondContact NE2-OE1 2.93Å; Q661-E664 PolarHBondContact NE2-OE2 2.9Å; Q661-E664 WeakPolarHBondContact O-CB 3.34Å; Q661-E664 PolarHBondContact O-N 2.79Å; E664-I666 PolarHBondContact O-N 3.27Å
665Q52.1Low50.7Low184 Ų184126.3 Ų126.386%0.8665%0.653SS**  trans-74.4115.6-171.1-165.1179.22100112.6T667Q665-T667 PolarHBondContact O-N 3.11Å
666I59.1Low49.6Very low87 Ų87129.6 Ų129.645%0.44668%0.678SS.*  trans-80.4111-175.2-47172.1000111L650 A658 E664 L668L650-I666 HydrophobicContact CD1-CD1 4.13Å; L650-I666 HydrophobicContact CD1-CG2 4.1Å; L650-I666 HydrophobicContact CD2-CG2 3.72Å; A658-I666 HydrophobicContact CB-CD1 3.52Å; A658-I666 HydrophobicContact CB-CG1 4.19Å; E664-I666 PolarHBondContact O-N 3.27Å; I666-L668 PolarHBondContact O-N 3.25Å
667T58.1Low47.8Very low125 Ų125131.9 Ų131.977%0.76770%0.695SS**PPolyproline II helixtrans-80.4118.1175.2-54.30000111.3Q665Q665-T667 PolarHBondContact O-N 3.11Å
668L55.9Low46Very low76 Ų76130.6 Ų130.640%0.39871%0.711SS.*PPolyproline II helixtrans-94.6118.9175.5-65.5172.1000110.9A646 L649 L650 I666 R670A646-L668 HydrophobicContact CB-CD1 3.89Å; L649-L668 HydrophobicContact CB-CD2 4.36Å; L650-L668 HydrophobicContact CD2-CD2 3.57Å; L650-L668 HydrophobicContact CG-CD2 3.95Å; I666-L668 PolarHBondContact O-N 3.25Å; L668-R670 PolarHBondContact O-N 3.07Å
669R50.4Low44.6Very low235 Ų235138 Ų13889%0.88775%0.747SS**PPolyproline II helixtrans-70.9119.7166.4-83.9-173.9168.4-173.1-4.4109.5
670R39.8Very low43.3Very low249 Ų249139.3 Ų139.394%0.9475%0.751SS**PPolyproline II helixtrans-65.2135.1162.2-77.3-174.1175.7-177.2-0.4109L668L668-R670 PolarHBondContact O-N 3.07Å
671V37.1Very low41.9Very low129 Ų129137.2 Ų137.278%0.78275%0.754SS**PPolyproline II helixtrans-89.7137.9166.7-178.40000107.6
672S31.4Very low40.9Very low117 Ų117137.3 Ų137.382%0.81877%0.771SS**PPolyproline II helixtrans-76143176.5-165.60000111
673H33.4Very low40.5Very low188 Ų188138 Ų13887%0.8778%0.775SS**PPolyproline II helixtrans-93.4126.4174.5-85.5-80.6000111
674G30Very low39.9Very low65 Ų65137.8 Ų137.867%0.6777%0.772SS**PPolyproline II helixtrans-95.6163.216300000112.1
675P32.1Very low39.1Very low129 Ų129140.5 Ų140.584%0.83879%0.785SS**PPolyproline II helixtrans-79.6165.6-17332.5-36.2000114.5
676P45.8Very low38.2Very low124 Ų124138 Ų13881%0.80579%0.785SS**  trans-106.7139.2-16438-32.2000116.5
677Q30.2Very low36.7Very low204 Ų204141.2 Ų141.295%0.95380%0.797SS**  trans-151.5153.1158.3-60.6-177-400106.5
678G28Very low36.9Very low78 Ų78140 Ų14080%0.80479%0.791SS**  cis-166.3163.7-6.500000108.8
679L33.5Very low35.7Very low176 Ų176141.7 Ų141.792%0.92181%0.81SS**  trans-89.1139.5-169.6-69162.1000114.4
680V28.4Very low34.9Very low139 Ų139136.7 Ų136.784%0.84280%0.8SS**  trans-143.7117.3145.6-178.40000111.8
681L27.4Very low34.7Very low162 Ų162134.6 Ų134.685%0.84879%0.792SS**  trans22.6128.7153.1-60.5169.5000123.1
682A37Very low34.3Very low95 Ų95135 Ų13579%0.78579%0.787SS**  trans-128.7151.7139.400000108.7
683P38.8Very low34.2Very low119 Ų119140.2 Ų140.277%0.77379%0.789SS**  trans-148.1179.1135.540-24.9000112.9
684P35.2Very low34Very low121 Ų121134.6 Ų134.679%0.78678%0.782SS**  cis-122.7156.9-635.4-19.8000115.2
685H38.6Very low34.3Very low149 Ų149138 Ų13869%0.6979%0.792SS**  trans-90.1169.6154.5-77.1-89.3000110.2
686P32.4Very low34.4Very low132 Ų132139 Ų13986%0.85779%0.789SS**  -101.8131.4124-19.334.3000113.1
687H27.6Very low33.5Very low153 Ų153140 Ų14071%0.70879%0.793SS**  trans-126.3-163.5172.9-108.5-42.6000105.8
688P62.5Low33.6Very low99 Ų99136.6 Ų136.664%0.64378%0.779SS**  -130.5-159-73.441.5-24.2000110.2
689S30.2Very low33.7Very low112 Ų112140.6 Ų140.678%0.78378%0.777SS**  trans-175.4159138.430.80000110.8
690L34.3Very low33.9Very low130 Ų130142.8 Ų142.868%0.68179%0.789SS**  cis-174.3160.1-27.2-88-159000104.3
691R34.1Very low34.1Very low206 Ų206143 Ų14378%0.77779%0.787SS**  cis-164171-5.4-101.6-175.6-174163.84.4105.2
692M29.9Very low34.5Very low138 Ų138141.9 Ų141.968%0.6878%0.783SS**  cis-156.9-156.2-3.7-126.1-59.7164.800111.3
693R29.5Very low34.4Very low225 Ų225144.6 Ų144.685%0.84978%0.783SS**  trans-78.2173.2165.8-56.8152.5-175.4-171.6-1.8110.4
694G27.7Very low34.1Very low70 Ų70146.1 Ų146.172%0.72278%0.784SS**  cis135.1176.329.800000108.2
695P38.2Very low34Very low136 Ų136147.6 Ų147.688%0.88378%0.784SS**  cis-127-129.813.542.6-23.7000114.3
696I33.2Very low33.7Very low151 Ų151147.5 Ų147.577%0.77479%0.79SS**  trans-144138.6-162.6-57.5159.1000111.2
697V27.7Very low33.8Very low146 Ų146148.6 Ų148.689%0.88579%0.785SS**  trans-147.5155.1147.7-177.70000110.9
698I30.7Very low34.3Very low131 Ų131148.3 Ų148.367%0.67279%0.791SS**  trans-94.2148.6-161.9-63.6159.9000113.8
699H30Very low31.9Very low163 Ų163152.4 Ų152.476%0.75580%0.804SS**  trans57161.2158.3-76.6-50000120.1
700D37.9Very low32.1Very low221 Ų221156.1 Ų156.1100%1.18281%0.805SS**  cis-77.201.8-70.6-50.5000115

Retrieved 700 of 700 residues in 1073 ms (Link to these results)

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