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Voltage-gated inwardly rectifying potassium channel KCNH2

Pore-forming (alpha) subunit of voltage-gated inwardly rectifying potassium channel1,2,3,4,5,6,7,8,9,10,11,12,13,14. Channel properties are modulated by cAMP and subunit assembly15. Characterized by unusual gating kinetics by producing relatively small outward currents during membrane depolarization and large inward currents during subsequent repolarization which reflect a rapid inactivation during depolarization and quick recovery from inactivation but slow deactivation (closing) during repolarization16,17,18,19,20,21,22,23,24,25,26,27,28,29. Forms a stable complex with KCNE1 or KCNE2, and that this heteromultimerization regulates inward rectifier potassium channel activity30,31. Has no inward rectifier potassium channel activity by itself, but modulates channel characteristics by forming heterotetramers with other isoforms which are retained intracellularly and undergo ubiquitin-dependent degradation. Has no inward rectifier potassium channel activity by itself, but modulates channel characteristics by forming heterotetramers with other isoforms which are retained intracellularly and undergo ubiquitin-dependent degradation.

AlphaFold DB , UniProt , Accession Q12809, Species HUMAN (Homo sapiens, Human), Gene KCNH2, Length 1,159 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
1M34.6Very low54.8Low108 Ų10895.3 Ų95.353%0.53249%0.485SS..  0170.60-77.6-179.6174.100108.5V3 R281 E544 Y545M1-V3 PolarHBondContact O-N 3.1Å; M1-R281 PolarHBondContact SD-NH2 3.25Å; M1-E544 VanDerWaalsContact CA-OE2 3.28Å; M1-E544 WeakPolarHBondContact CA-OE2 3.39Å; M1-E544 VanDerWaalsContact CB-OE2 3.29Å; M1-E544 WeakPolarHBondContact CB-OE2 3.49Å; M1-E544 PolarHBondContact N-OE2 3.19Å; M1-Y545 PolarHBondContact N-OH 3.33Å; M1-Y545 PolarHBondContact O-OH 3.23Å; M1-Y545 VanDerWaalsContact O-OH 3.06Å
2P48.1Very low55.8Low85 Ų8596.3 Ų96.355%0.55249%0.493SS*.  trans-62.2129.4158.427-33.8000109.1
3V55.9Low56.9Low52 Ų5292.6 Ų92.632%0.31548%0.478SS..  trans-47.1139.9169.4176.70000109.2M1 R5 R541M1-V3 PolarHBondContact O-N 3.1Å; V3-R5 WeakPolarHBondContact O-CG 3.47Å; V3-R5 PolarHBondContact O-N 3Å; V3-R541 HydrophobicContact CG2-CG 3.94Å
4R59.5Low58Low177 Ų17787.9 Ų87.967%0.66845%0.452SS*.  trans-47.7102.9178.2-71.8-165.1-172.2-156.26.9110.8G6 E480R4-G6 PolarHBondContact O-N 3.12Å; R4-E480 IonicContact NH1-OE1 2.68Å; R4-E480 PolarHBondContact NH1-OE1 3.29Å
5R60.8Low59.3Low141 Ų14184.1 Ų84.153%0.53243%0.433SS..  trans-82.4105.6173-63.7-177.2-176.8161.2-0.9106.3V3 H7 Y403V3-R5 WeakPolarHBondContact O-CG 3.47Å; V3-R5 PolarHBondContact O-N 3Å; R5-H7 PolarHBondContact O-N 2.81Å; R5-Y403 HydrophobicContact CG-CD1 4.29Å; R5-Y403 HydrophobicContact CG-CG 4.21Å
6G55.4Low60.3Low10 Ų1083.2 Ų83.210%0.10343%0.429CS..PPolyproline II helixtrans-52.1138.1169.900000110.2R4 E480 V482R4-G6 PolarHBondContact O-N 3.12Å; G6-E480 CarbonylContact C-O 3.45Å; G6-E480 VanDerWaalsContact C-O 3.29Å; G6-E480 WeakPolarHBondContact CA-O 3.5Å; G6-V482 WeakPolarHBondContact O-CG2 3.2Å
7H57.5Low61.3Low164 Ų16483.5 Ų83.576%0.75944%0.436SS*.PPolyproline II helixtrans-65.6141.6178.4-91.7-95.9000109.7R5 A9 E480R5-H7 PolarHBondContact O-N 2.81Å; H7-A9 PolarHBondContact O-N 2.67Å; H7-E480 PolarHBondContact N-O 2.64Å
8V58.6Low62.4Low84 Ų8480.7 Ų80.751%0.50942%0.42SS..PPolyproline II helixtrans-65.4131.9170.1-164.20000107.2P393V8-P393 HydrophobicContact CG1-CB 4.17Å; V8-P393 HydrophobicContact CG2-CG 4.49Å
9A55.9Low63.6Low39 Ų3977.7 Ų77.732%0.32241%0.405SS..PPolyproline II helixtrans-50.5124.3175.100000109.4H7 T13H7-A9 PolarHBondContact O-N 2.67Å; A9-T13 HydrophobicContact CB-CG2 4.11Å
10P62Low64.4Low91 Ų9181.4 Ų81.459%0.59141%0.413SS*.PPolyproline II helixtrans-54.4144-178.6-28.234.6000111.6N12 T13P10-N12 PolarHBondContact O-N 3.27Å; P10-T13 WeakPolarHBondContact O-CG2 3.49Å; P10-T13 PolarHBondContact O-N 3.37Å; P10-T13 PolarHBondContact O-OG1 2.8Å
11Q54.9Low65.2Low97 Ų9781.8 Ų81.845%0.45341%0.412SS..THydrogen-bonded Turntrans-51.7-26.9-177.4-76.7-177.4-30.900113.5T13 F14 P386 E387Q11-T13 VanDerWaalsContact C-N 3.31Å; Q11-T13 PolarHBondContact O-N 2.86Å; Q11-F14 WeakPolarHBondContact O-CD1 3.29Å; Q11-F14 WeakPolarHBondContact O-CE1 3.41Å; Q11-P386 PolarHBondContact NE2-O 2.89Å; Q11-E387 PolarHBondContact NE2-O 3.25Å
12N66.7Low67.5Low108 Ų10877.7 Ų77.758%0.57839%0.392SS*.THydrogen-bonded Turntrans-76.30.1177-65.6-21.9000115.6P10 F14 L15P10-N12 PolarHBondContact O-N 3.27Å; N12-F14 PolarHBondContact O-N 2.93Å; N12-L15 HydrophobicContact CB-CD1 4.13Å; N12-L15 VanDerWaalsContact O-CB 3.24Å; N12-L15 WeakPolarHBondContact O-CB 3.38Å; N12-L15 WeakPolarHBondContact O-CG 3.41Å; N12-L15 PolarHBondContact O-N 3.16Å
13T69.3Low69.1Low48 Ų4878 Ų7829%0.29439%0.385SS..Hα-helixtrans-68.2-14.6-17951.90000114.2A9 P10 Q11 L15 D16 T17A9-T13 HydrophobicContact CB-CG2 4.11Å; P10-T13 WeakPolarHBondContact O-CG2 3.49Å; P10-T13 PolarHBondContact O-N 3.37Å; P10-T13 PolarHBondContact O-OG1 2.8Å; Q11-T13 VanDerWaalsContact C-N 3.31Å; Q11-T13 PolarHBondContact O-N 2.86Å; T13-L15 PolarHBondContact O-N 3.49Å; T13-D16 PolarHBondContact O-N 3.25Å; T13-T17 WeakPolarHBondContact O-CB 3.49Å; T13-T17 PolarHBondContact O-N 3.05Å; T13-T17 PolarHBondContact O-OG1 3.36Å
14F72.9Confident70.2Confident27 Ų2778.9 Ų78.912%0.11841%0.405CS..Hα-helixtrans-61.6-28.7166.670.3-95.5000111.6Q11 N12 T17 I18 M124 V384 L385Q11-F14 WeakPolarHBondContact O-CD1 3.29Å; Q11-F14 WeakPolarHBondContact O-CE1 3.41Å; N12-F14 PolarHBondContact O-N 2.93Å; F14-T17 PolarHBondContact O-N 3.35Å; F14-I18 HydrophobicContact CD2-CD1 3.93Å; F14-I18 WeakPolarHBondContact O-CB 3.29Å; F14-I18 WeakPolarHBondContact O-CD1 3.14Å; F14-I18 WeakPolarHBondContact O-CG1 3.46Å; F14-I18 PolarHBondContact O-N 3.28Å; F14-M124 HydrophobicContact CZ-CE 4.49Å; F14-V384 HydrophobicContact CB-CG1 4.44Å; F14-L385 HydrophobicContact CD1-CD2 4.05Å; F14-L385 HydrophobicContact CE1-CD2 3.74Å; F14-L385 HydrophobicContact CZ-CD2 4.44Å
15L78.2Confident71.2Confident31 Ų3175 Ų7516%0.16240%0.395CS..Hα-helixtrans-66.1-50175.1-56.9177.2000111.4N12 T13 T17 I18 I19 M124N12-L15 HydrophobicContact CB-CD1 4.13Å; N12-L15 VanDerWaalsContact O-CB 3.24Å; N12-L15 WeakPolarHBondContact O-CB 3.38Å; N12-L15 WeakPolarHBondContact O-CG 3.41Å; N12-L15 PolarHBondContact O-N 3.16Å; T13-L15 PolarHBondContact O-N 3.49Å; L15-T17 VanDerWaalsContact C-N 3.25Å; L15-T17 PolarHBondContact O-N 2.68Å; L15-I18 PolarHBondContact O-N 3.26Å; L15-I19 WeakPolarHBondContact O-CB 3.49Å; L15-I19 WeakPolarHBondContact O-CD1 3.41Å; L15-I19 WeakPolarHBondContact O-CG1 3.13Å; L15-I19 PolarHBondContact O-N 3.45Å; L15-M124 HydrophobicContact CD1-CE 4.08Å; L15-M124 HydrophobicContact CD2-CE 3.89Å; L15-M124 HydrophobicContact CD2-SD 3.47Å; L15-M124 WeakPolarHBondContact CD2-SD 3.13Å
16D74.2Confident72.1Confident69 Ų6973.3 Ų73.337%0.36940%0.404SS..Hα-helixtrans-61.2-37175.4-176.936.5000111.1T13 I19 R20T13-D16 PolarHBondContact O-N 3.25Å; D16-I19 PolarHBondContact O-N 3.38Å; D16-R20 WeakPolarHBondContact O-CB 3.17Å; D16-R20 VanDerWaalsContact O-CG 3.22Å; D16-R20 WeakPolarHBondContact O-CG 3.42Å; D16-R20 PolarHBondContact O-N 3.24Å; D16-R20 IonicContact OD1-CZ 3.82Å; D16-R20 IonicContact OD1-NE 3.45Å; D16-R20 PolarHBondContact OD1-NE 3.23Å; D16-R20 IonicContact OD1-NH2 2.64Å; D16-R20 IonicContact OD2-CZ 2.72Å; D16-R20 VanDerWaalsContact OD2-CZ 3.24Å; D16-R20 IonicContact OD2-NE 3.81Å; D16-R20 PolarHBondContact OD2-NE 2.96Å; D16-R20 IonicContact OD2-NH2 2.67Å; D16-R20 PolarHBondContact OD2-NH2 3.3Å
17T77.6Confident73.5Confident89 Ų8976.5 Ų76.555%0.54641%0.413SS..Hα-helixtrans-64.6-43.7174.4-54.70000112.4T13 F14 L15 K21T13-T17 WeakPolarHBondContact O-CB 3.49Å; T13-T17 PolarHBondContact O-N 3.05Å; T13-T17 PolarHBondContact O-OG1 3.36Å; F14-T17 PolarHBondContact O-N 3.35Å; L15-T17 VanDerWaalsContact C-N 3.25Å; L15-T17 PolarHBondContact O-N 2.68Å; T17-K21 VanDerWaalsContact O-CB 3.24Å; T17-K21 WeakPolarHBondContact O-CB 3.43Å; T17-K21 PolarHBondContact O-N 3.2Å; T17-K21 VanDerWaalsContact O-N 3.12Å
18I81.6Confident75.2Confident32 Ų3271.6 Ų71.616%0.16439%0.39CS..Hα-helixtrans-65-47.8175.4-72.9163.6000110.4F14 L15 K21 F22 I126F14-I18 HydrophobicContact CD2-CD1 3.93Å; F14-I18 WeakPolarHBondContact O-CB 3.29Å; F14-I18 WeakPolarHBondContact O-CD1 3.14Å; F14-I18 WeakPolarHBondContact O-CG1 3.46Å; F14-I18 PolarHBondContact O-N 3.28Å; L15-I18 PolarHBondContact O-N 3.26Å; I18-K21 PolarHBondContact O-N 3.38Å; I18-F22 HydrophobicContact CG2-CD2 4.13Å; I18-F22 HydrophobicContact CG2-CE2 4.21Å; I18-F22 WeakPolarHBondContact O-CD2 3.13Å; I18-F22 PolarHBondContact O-N 2.96Å; I18-I126 HydrophobicContact CD1-CD1 4.36Å; I18-I126 HydrophobicContact CG2-CD1 3.78Å
19I84.4Confident76.8Confident24 Ų2467.6 Ų67.612%0.12337%0.365CS..Hα-helixtrans-57.6-55.3-179.4-72.5164.4000109.9L15 D16 K21 F22 E23 F29 I31 Y43L15-I19 WeakPolarHBondContact O-CB 3.49Å; L15-I19 WeakPolarHBondContact O-CD1 3.41Å; L15-I19 WeakPolarHBondContact O-CG1 3.13Å; L15-I19 PolarHBondContact O-N 3.45Å; D16-I19 PolarHBondContact O-N 3.38Å; I19-K21 VanDerWaalsContact C-N 3.26Å; I19-K21 PolarHBondContact O-N 3.06Å; I19-F22 PolarHBondContact O-N 3.45Å; I19-F22 VanDerWaalsContact O-N 3.12Å; I19-E23 VanDerWaalsContact CG2-CD 3.48Å; I19-E23 HydrophobicContact CG2-CG 4.15Å; I19-E23 VanDerWaalsContact CG2-OE1 3.23Å; I19-E23 WeakPolarHBondContact CG2-OE1 3.44Å; I19-E23 WeakPolarHBondContact O-CB 3.23Å; I19-E23 WeakPolarHBondContact O-CG 3.42Å; I19-E23 PolarHBondContact O-N 3.05Å; I19-F29 HydrophobicContact CG1-CE2 4.33Å; I19-F29 HydrophobicContact CG1-CZ 4.34Å; I19-I31 HydrophobicContact CD1-CD1 4.28Å; I19-I31 HydrophobicContact CG1-CD1 3.97Å; I19-Y43 HydrophobicContact CD1-CD1 4.15Å; I19-Y43 HydrophobicContact CD1-CD2 3.84Å; I19-Y43 HydrophobicContact CD1-CE1 4.19Å; I19-Y43 HydrophobicContact CD1-CE2 3.87Å; I19-Y43 HydrophobicContact CD1-CG 4Å; I19-Y43 HydrophobicContact CG1-CD1 4.15Å; I19-Y43 HydrophobicContact CG1-CE1 3.93Å; I19-Y43 HydrophobicContact CG1-CE2 4.39Å; I19-Y43 HydrophobicContact CG2-CE1 4.32Å; I19-Y43 HydrophobicContact CG2-CE2 4.32Å; I19-Y43 WeakPolarHBondContact CG2-OH 3.41Å
20R80.2Confident78.6Confident151 Ų15165.7 Ų65.757%0.5735%0.35SS*.Hα-helixtrans-58.2-36.4177.7-68.6173.1-168-140.618.5113D16 G24D16-R20 WeakPolarHBondContact O-CB 3.17Å; D16-R20 VanDerWaalsContact O-CG 3.22Å; D16-R20 WeakPolarHBondContact O-CG 3.42Å; D16-R20 PolarHBondContact O-N 3.24Å; D16-R20 IonicContact OD1-CZ 3.82Å; D16-R20 IonicContact OD1-NE 3.45Å; D16-R20 PolarHBondContact OD1-NE 3.23Å; D16-R20 IonicContact OD1-NH2 2.64Å; D16-R20 IonicContact OD2-CZ 2.72Å; D16-R20 VanDerWaalsContact OD2-CZ 3.24Å; D16-R20 IonicContact OD2-NE 3.81Å; D16-R20 PolarHBondContact OD2-NE 2.96Å; D16-R20 IonicContact OD2-NH2 2.67Å; D16-R20 PolarHBondContact OD2-NH2 3.3Å; R20-G24 PolarHBondContact O-N 3.22Å
21K81.3Confident80Confident91 Ų9161.6 Ų61.640%0.39632%0.323SS..Hα-helixtrans-69-36.4178.5-174.3178.8-178.1-1790112.5T17 I18 I19 Q25T17-K21 VanDerWaalsContact O-CB 3.24Å; T17-K21 WeakPolarHBondContact O-CB 3.43Å; T17-K21 PolarHBondContact O-N 3.2Å; T17-K21 VanDerWaalsContact O-N 3.12Å; I18-K21 PolarHBondContact O-N 3.38Å; I19-K21 VanDerWaalsContact C-N 3.26Å; I19-K21 PolarHBondContact O-N 3.06Å; K21-Q25 WeakPolarHBondContact O-CG 3.35Å
22F82.3Confident81.7Confident22 Ų2257 Ų5710%0.09630%0.301CS..Hα-helixtrans-82.8-36177.9-83.2-122000112.2I18 I19 Q25 S26 R27 F29 I126I18-F22 HydrophobicContact CG2-CD2 4.13Å; I18-F22 HydrophobicContact CG2-CE2 4.21Å; I18-F22 WeakPolarHBondContact O-CD2 3.13Å; I18-F22 PolarHBondContact O-N 2.96Å; I19-F22 PolarHBondContact O-N 3.45Å; I19-F22 VanDerWaalsContact O-N 3.12Å; F22-Q25 CarbonylContact O-C 3.49Å; F22-Q25 PolarHBondContact O-N 3.21Å; F22-Q25 VanDerWaalsContact O-N 3.07Å; F22-S26 PolarHBondContact O-N 3.25Å; F22-R27 HydrophobicContact CB-CB 4.32Å; F22-R27 HydrophobicContact CD1-CB 3.99Å; F22-R27 HydrophobicContact CD1-CG 4.43Å; F22-R27 PolarHBondContact O-N 3.1Å; F22-R27 VanDerWaalsContact O-N 3.12Å; F22-F29 HydrophobicContact CB-CD1 3.79Å; F22-F29 HydrophobicContact CB-CE1 3.39Å; F22-F29 HydrophobicContact CB-CE2 4.29Å; F22-F29 HydrophobicContact CB-CG 4.41Å; F22-F29 HydrophobicContact CB-CZ 3.67Å; F22-F29 HydrophobicContact CD1-CB 4.35Å; F22-F29 HydrophobicContact CD1-CD1 4Å; F22-F29 HydrophobicContact CD1-CD2 4.33Å; F22-F29 HydrophobicContact CD1-CE1 4.43Å; F22-F29 AromaticContact CD1-CG 3.96Å; F22-F29 HydrophobicContact CD1-CG 3.96Å; F22-F29 HydrophobicContact CG-CD1 4.34Å; F22-F29 HydrophobicContact CG-CE1 4.31Å; F22-F29 HydrophobicContact CG-CZ 4.46Å; F22-I126 HydrophobicContact CE1-CG2 3.96Å; F22-I126 HydrophobicContact CZ-CG2 4.22Å
23E81.6Confident82.8Confident90 Ų9053.7 Ų53.742%0.42128%0.284SS..Hα-helixtrans-60-44.8170.4-74.1175.4170.900111.1I19 Q25 S26 Y43I19-E23 VanDerWaalsContact CG2-CD 3.48Å; I19-E23 HydrophobicContact CG2-CG 4.15Å; I19-E23 VanDerWaalsContact CG2-OE1 3.23Å; I19-E23 WeakPolarHBondContact CG2-OE1 3.44Å; I19-E23 WeakPolarHBondContact O-CB 3.23Å; I19-E23 WeakPolarHBondContact O-CG 3.42Å; I19-E23 PolarHBondContact O-N 3.05Å; E23-Q25 PolarHBondContact O-N 3.44Å; E23-Q25 VanDerWaalsContact O-N 3.09Å; E23-S26 PolarHBondContact O-N 3Å; E23-Y43 PolarHBondContact OE1-OH 3.49Å
24G78.8Confident83.6Confident71 Ų7152.7 Ų52.773%0.73228%0.28SS*.THydrogen-bonded Turntrans-64.4-8.4173.100000115.1R20R20-G24 PolarHBondContact O-N 3.22Å
25Q80.4Confident84Confident96 Ų9658.9 Ų58.945%0.44930%0.303SS..THydrogen-bonded Turntrans-108.56.9172.1-68.4-178.4-6.100112.6K21 F22 E23 R27K21-Q25 WeakPolarHBondContact O-CG 3.35Å; F22-Q25 CarbonylContact O-C 3.49Å; F22-Q25 PolarHBondContact O-N 3.21Å; F22-Q25 VanDerWaalsContact O-N 3.07Å; E23-Q25 PolarHBondContact O-N 3.44Å; E23-Q25 VanDerWaalsContact O-N 3.09Å; Q25-R27 HydrophobicContact CB-CG 3.98Å; Q25-R27 PolarHBondContact O-N 2.65Å
26S79.9Confident84.2Confident105 Ų10560.4 Ų60.473%0.73431%0.314SS*.THydrogen-bonded Turntrans47.631.6-17362.50000114.3F22 E23F22-S26 PolarHBondContact O-N 3.25Å; E23-S26 PolarHBondContact O-N 3Å
27R86.3Confident84.4Confident77 Ų7766.3 Ų66.329%0.29134%0.339SS..  trans-72.4159.3179-78.2-176.7172.1-154.9-6.8111.2F22 Q25 F29 N45F22-R27 HydrophobicContact CB-CB 4.32Å; F22-R27 HydrophobicContact CD1-CB 3.99Å; F22-R27 HydrophobicContact CD1-CG 4.43Å; F22-R27 PolarHBondContact O-N 3.1Å; F22-R27 VanDerWaalsContact O-N 3.12Å; Q25-R27 HydrophobicContact CB-CG 3.98Å; Q25-R27 PolarHBondContact O-N 2.65Å; R27-F29 HydrophobicContact CB-CD1 4.41Å; R27-N45 PolarHBondContact O-ND2 2.99Å
28K91.7Very high84.6Confident61 Ų6167.5 Ų67.527%0.26534%0.342SS..  trans-116.7108.9-178.4-55.9-178.1168-155.40107.7N45 G47 L51 N128 F129K28-N45 WeakPolarHBondContact CA-OD1 3.36Å; K28-G47 VanDerWaalsContact CD-O 3.28Å; K28-G47 WeakPolarHBondContact CD-O 3.19Å; K28-G47 WeakPolarHBondContact CG-O 3.47Å; K28-L51 HydrophobicContact CD-CB 4.16Å; K28-L51 HydrophobicContact CD-CD2 4.17Å; K28-N128 WeakPolarHBondContact O-CA 3.25Å; K28-N128 PolarHBondContact O-OD1 3.33Å; K28-F129 HydrophobicContact CB-CB 4.48Å; K28-F129 PolarHBondContact O-N 2.91Å
29F92.6Very high84.9Confident0 Ų067.3 Ų67.30%034%0.343CS..EExtended strand (participates in β ladder)trans-152.1157.6-165.771.9-76.5000113.9I19 F22 R27 I31 Y43 N45 I126 L127 N128I19-F29 HydrophobicContact CG1-CE2 4.33Å; I19-F29 HydrophobicContact CG1-CZ 4.34Å; F22-F29 HydrophobicContact CB-CD1 3.79Å; F22-F29 HydrophobicContact CB-CE1 3.39Å; F22-F29 HydrophobicContact CB-CE2 4.29Å; F22-F29 HydrophobicContact CB-CG 4.41Å; F22-F29 HydrophobicContact CB-CZ 3.67Å; F22-F29 HydrophobicContact CD1-CB 4.35Å; F22-F29 HydrophobicContact CD1-CD1 4Å; F22-F29 HydrophobicContact CD1-CD2 4.33Å; F22-F29 HydrophobicContact CD1-CE1 4.43Å; F22-F29 AromaticContact CD1-CG 3.96Å; F22-F29 HydrophobicContact CD1-CG 3.96Å; F22-F29 HydrophobicContact CG-CD1 4.34Å; F22-F29 HydrophobicContact CG-CE1 4.31Å; F22-F29 HydrophobicContact CG-CZ 4.46Å; R27-F29 HydrophobicContact CB-CD1 4.41Å; F29-I31 HydrophobicContact CD2-CG1 4.2Å; F29-I31 HydrophobicContact CE2-CD1 4.19Å; F29-I31 HydrophobicContact CE2-CG1 4.14Å; F29-Y43 HydrophobicContact CE2-CD1 4.03Å; F29-Y43 AromaticContact CE2-CE1 3.75Å; F29-Y43 HydrophobicContact CE2-CE1 3.75Å; F29-Y43 HydrophobicContact CZ-CD1 4.44Å; F29-Y43 AromaticContact CZ-CE1 3.7Å; F29-Y43 HydrophobicContact CZ-CE1 3.7Å; F29-N45 HydrophobicContact CD1-CB 4.06Å; F29-N45 HydrophobicContact CE1-CB 3.64Å; F29-N45 HydrophobicContact CZ-CB 4.1Å; F29-N45 PolarHBondContact N-OD1 3.32Å; F29-N45 PolarHBondContact O-N 2.83Å; F29-N45 VanDerWaalsContact O-N 3.14Å; F29-N45 PolarHBondContact O-OD1 3.01Å; F29-I126 HydrophobicContact CD2-CG2 4.34Å; F29-L127 WeakPolarHBondContact CA-O 3.42Å; F29-L127 WeakPolarHBondContact CB-O 3.48Å; F29-N128 HydrophobicContact CB-CB 4.42Å
30I94Very high85.1Confident0 Ų067 Ų670%034%0.344CS..EExtended strand (participates in β ladder)trans-126.2154.7170.473.3-170.5000109.9V41 Y43 C44 F48 L127 F129I30-V41 HydrophobicContact CB-CG1 4.16Å; I30-V41 HydrophobicContact CD1-CG2 3.95Å; I30-Y43 CarbonylContact C-O 3.53Å; I30-Y43 VanDerWaalsContact CA-O 3.26Å; I30-Y43 WeakPolarHBondContact CA-O 3.37Å; I30-Y43 WeakPolarHBondContact CB-O 3.26Å; I30-C44 HydrophobicContact CB-CB 4.37Å; I30-C44 HydrophobicContact CG2-CB 3.64Å; I30-F48 HydrophobicContact CG2-CB 4.44Å; I30-F48 HydrophobicContact CG2-CD1 3.67Å; I30-F48 HydrophobicContact CG2-CD2 3.82Å; I30-F48 HydrophobicContact CG2-CE1 3.77Å; I30-F48 HydrophobicContact CG2-CE2 3.92Å; I30-F48 HydrophobicContact CG2-CG 3.69Å; I30-F48 HydrophobicContact CG2-CZ 3.88Å; I30-L127 HydrophobicContact CD1-CB 4.44Å; I30-L127 HydrophobicContact CG1-CB 4.01Å; I30-L127 HydrophobicContact CG1-CD1 4.39Å; I30-L127 PolarHBondContact N-O 2.87Å; I30-L127 PolarHBondContact O-N 3.2Å; I30-F129 HydrophobicContact CD1-CE2 4.02Å; I30-F129 HydrophobicContact CD1-CZ 4.01Å; I30-F129 HydrophobicContact CG1-CE2 4Å; I30-F129 HydrophobicContact CG1-CZ 4.46Å; I30-F129 HydrophobicContact CG2-CE2 4.26Å
31I91.9Very high85.7Confident4 Ų459.9 Ų59.92%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-117.9131.7173.1-51.3177.3000108.3I19 F29 I42 Y43 M124 F125I19-I31 HydrophobicContact CD1-CD1 4.28Å; I19-I31 HydrophobicContact CG1-CD1 3.97Å; F29-I31 HydrophobicContact CD2-CG1 4.2Å; F29-I31 HydrophobicContact CE2-CD1 4.19Å; F29-I31 HydrophobicContact CE2-CG1 4.14Å; I31-I42 HydrophobicContact CB-CG1 4.23Å; I31-I42 HydrophobicContact CG2-CD1 4.09Å; I31-I42 HydrophobicContact CG2-CG1 4.09Å; I31-I42 VanDerWaalsContact O-CG1 3.29Å; I31-I42 WeakPolarHBondContact O-CG1 3.36Å; I31-I42 PolarHBondContact O-N 2.99Å; I31-Y43 HydrophobicContact CD1-CD1 4.22Å; I31-Y43 HydrophobicContact CG1-CD1 4.26Å; I31-Y43 PolarHBondContact N-O 2.87Å; I31-Y43 PolarHBondContact O-N 3.44Å; I31-M124 HydrophobicContact CG2-CB 4.22Å; I31-M124 HydrophobicContact CG2-SD 3.75Å; I31-F125 WeakPolarHBondContact CA-O 3.39Å
32A90.8Very high86.1Confident0 Ų058.7 Ų58.70%032%0.315CS..EExtended strand (participates in β ladder)trans-122.7143.817900000111.5A40 C64 M124 F125A32-A40 WeakPolarHBondContact CA-O 3.43Å; A32-C64 HydrophobicContact CB-CB 3.52Å; A32-M124 CarbonylContact O-C 3.58Å; A32-M124 WeakPolarHBondContact O-CA 3.47Å; A32-M124 VanDerWaalsContact O-CB 3.25Å; A32-M124 WeakPolarHBondContact O-CB 3.24Å; A32-F125 PolarHBondContact N-O 2.99Å; A32-F125 PolarHBondContact O-N 2.82Å
33N89.6Confident86.6Confident39 Ų3959.8 Ų59.821%0.20932%0.319CS..EExtended strand (participates in β ladder)trans-91.2114.2-178.7-178.2-0.8000111.1R35 V36 C39 A40 I42 I123N33-R35 VanDerWaalsContact C-N 3.26Å; N33-R35 PolarHBondContact O-N 2.91Å; N33-R35 WeakPolarHBondContact OD1-CB 3.22Å; N33-R35 PolarHBondContact OD1-N 2.88Å; N33-V36 HydrophobicContact CB-CG2 4.33Å; N33-V36 PolarHBondContact O-N 2.83Å; N33-C39 WeakPolarHBondContact O-CA 3.25Å; N33-A40 PolarHBondContact N-O 2.82Å; N33-I42 HydrophobicContact CB-CG2 3.94Å; N33-I123 PolarHBondContact OD1-O 3.33Å
34A86.4Confident87.1Confident27 Ų2755.5 Ų55.522%0.22330%0.299CS..THydrogen-bonded Turntrans-71.5-17.3-178.300000113.6V36 V122 I123 F125A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 PolarHBondContact O-N 2.81Å; A34-V122 HydrophobicContact CB-CB 4.42Å; A34-V122 HydrophobicContact CB-CG1 3.84Å; A34-I123 WeakPolarHBondContact CB-O 3.37Å; A34-I123 PolarHBondContact N-O 3.41Å; A34-F125 HydrophobicContact CB-CD2 3.96Å; A34-F125 HydrophobicContact CB-CE2 3.47Å; A34-F125 VanDerWaalsContact CB-CE2 3.47Å; A34-F125 HydrophobicContact CB-CZ 4.27Å
35R81.1Confident87.7Confident157 Ų15752.7 Ų52.759%0.59227%0.267SS*.THydrogen-bonded Turntrans-84.25.4177.3-60.1-173.6176.8-169-1.4113.9N33N33-R35 VanDerWaalsContact C-N 3.26Å; N33-R35 PolarHBondContact O-N 2.91Å; N33-R35 WeakPolarHBondContact OD1-CB 3.22Å; N33-R35 PolarHBondContact OD1-N 2.88Å
36V82Confident88.2Confident64 Ų6452.4 Ų52.439%0.38827%0.268SS..SBendtrans-111.4130.7174175.50000107.7N33 A34 N38 C39 A40N33-V36 HydrophobicContact CB-CG2 4.33Å; N33-V36 PolarHBondContact O-N 2.83Å; A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 PolarHBondContact O-N 2.81Å; V36-N38 VanDerWaalsContact C-N 3.27Å; V36-N38 PolarHBondContact O-N 2.75Å; V36-N38 VanDerWaalsContact O-N 3.07Å; V36-C39 WeakPolarHBondContact O-CA 3.2Å; V36-C39 PolarHBondContact O-N 3.25Å; V36-A40 HydrophobicContact CG1-CB 4.19Å
37E78.1Confident88.7Confident192 Ų19248 Ų4890%0.89724%0.239SC*.THydrogen-bonded Turntrans-41.4-49-174.5-65.4156.6-176.700113.8C39E37-C39 VanDerWaalsContact C-N 3.3Å; E37-C39 PolarHBondContact O-N 3.38Å
38N82.3Confident89Confident115 Ų11544.4 Ų44.462%0.61523%0.226SC*.THydrogen-bonded Turntrans-87.312.8-177.6-62.6-17.4000114.4V36 A40 P63V36-N38 VanDerWaalsContact C-N 3.27Å; V36-N38 PolarHBondContact O-N 2.75Å; V36-N38 VanDerWaalsContact O-N 3.07Å; N38-A40 VanDerWaalsContact C-N 3.33Å; N38-A40 PolarHBondContact O-N 2.76Å; N38-P63 WeakPolarHBondContact O-CA 3.25Å
39C86.5Confident89.1Confident27 Ų2742.5 Ų42.518%0.18222%0.22CC..  trans42.356.5-172.7-70.60000112.6N33 V36 E37 C64N33-C39 WeakPolarHBondContact O-CA 3.25Å; V36-C39 WeakPolarHBondContact O-CA 3.2Å; V36-C39 PolarHBondContact O-N 3.25Å; E37-C39 VanDerWaalsContact C-N 3.3Å; E37-C39 PolarHBondContact O-N 3.38Å; C39-C64 WeakPolarHBondContact CB-SG 3.26Å; C39-C64 WeakPolarHBondContact O-CB 3.43Å; C39-C64 PolarHBondContact O-N 2.94Å; C39-C64 PolarHBondContact O-SG 3.02Å; C39-C64 VanDerWaalsContact O-SG 3.33Å
40A90.3Very high89Confident17 Ų1749.6 Ų49.614%0.1425%0.253CS..BIsolated β-bridgetrans-69.4139.7-167.700000113A32 N33 V36 N38 I42 R62A32-A40 WeakPolarHBondContact CA-O 3.43Å; N33-A40 PolarHBondContact N-O 2.82Å; V36-A40 HydrophobicContact CG1-CB 4.19Å; N38-A40 VanDerWaalsContact C-N 3.33Å; N38-A40 PolarHBondContact O-N 2.76Å; A40-I42 PolarHBondContact O-N 3.49Å; A40-R62 WeakPolarHBondContact CA-O 3.45Å
41V92Very high88.8Confident2 Ų249.9 Ų49.91%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-67125.5176.3179.50000110.8I30 Y43 V59 Q61 R62 C64I30-V41 HydrophobicContact CB-CG1 4.16Å; I30-V41 HydrophobicContact CD1-CG2 3.95Å; V41-Y43 WeakPolarHBondContact CG1-O 3.24Å; V41-V59 HydrophobicContact CG1-CG1 4.21Å; V41-Q61 PolarHBondContact O-N 2.83Å; V41-R62 PolarHBondContact N-O 3.4Å; V41-C64 HydrophobicContact CG2-CB 4.14Å
42I90.2Very high88.8Confident66 Ų6649.7 Ų49.734%0.33825%0.254SS..EExtended strand (participates in β ladder)trans-111.5-14.6-178.861.4164.2000113.8I31 N33 A40 M60 M124I31-I42 HydrophobicContact CB-CG1 4.23Å; I31-I42 HydrophobicContact CG2-CD1 4.09Å; I31-I42 HydrophobicContact CG2-CG1 4.09Å; I31-I42 VanDerWaalsContact O-CG1 3.29Å; I31-I42 WeakPolarHBondContact O-CG1 3.36Å; I31-I42 PolarHBondContact O-N 2.99Å; N33-I42 HydrophobicContact CB-CG2 3.94Å; A40-I42 PolarHBondContact O-N 3.49Å; I42-M60 WeakPolarHBondContact O-CE 3.3Å; I42-M124 HydrophobicContact CD1-CE 3.92Å; I42-M124 HydrophobicContact CD1-SD 3.64Å
43Y91.4Very high88.9Confident46 Ų4651.7 Ų51.718%0.1828%0.275CS..EExtended strand (participates in β ladder)trans-154.7144.2173.1176.3-89.7000109.9I19 E23 F29 I30 I31 V41 N45I19-Y43 HydrophobicContact CD1-CD1 4.15Å; I19-Y43 HydrophobicContact CD1-CD2 3.84Å; I19-Y43 HydrophobicContact CD1-CE1 4.19Å; I19-Y43 HydrophobicContact CD1-CE2 3.87Å; I19-Y43 HydrophobicContact CD1-CG 4Å; I19-Y43 HydrophobicContact CG1-CD1 4.15Å; I19-Y43 HydrophobicContact CG1-CE1 3.93Å; I19-Y43 HydrophobicContact CG1-CE2 4.39Å; I19-Y43 HydrophobicContact CG2-CE1 4.32Å; I19-Y43 HydrophobicContact CG2-CE2 4.32Å; I19-Y43 WeakPolarHBondContact CG2-OH 3.41Å; E23-Y43 PolarHBondContact OE1-OH 3.49Å; F29-Y43 HydrophobicContact CE2-CD1 4.03Å; F29-Y43 AromaticContact CE2-CE1 3.75Å; F29-Y43 HydrophobicContact CE2-CE1 3.75Å; F29-Y43 HydrophobicContact CZ-CD1 4.44Å; F29-Y43 AromaticContact CZ-CE1 3.7Å; F29-Y43 HydrophobicContact CZ-CE1 3.7Å; I30-Y43 CarbonylContact C-O 3.53Å; I30-Y43 VanDerWaalsContact CA-O 3.26Å; I30-Y43 WeakPolarHBondContact CA-O 3.37Å; I30-Y43 WeakPolarHBondContact CB-O 3.26Å; I31-Y43 HydrophobicContact CD1-CD1 4.22Å; I31-Y43 HydrophobicContact CG1-CD1 4.26Å; I31-Y43 PolarHBondContact N-O 2.87Å; I31-Y43 PolarHBondContact O-N 3.44Å; V41-Y43 WeakPolarHBondContact CG1-O 3.24Å; Y43-N45 HydrophobicContact CE1-CB 3.81Å
44C92Very high89.1Confident0 Ų052.1 Ų52.10%027%0.274CS..EExtended strand (participates in β ladder)trans-137.5138.6165.563.30000108.5I30 F48 R56 V59I30-C44 HydrophobicContact CB-CB 4.37Å; I30-C44 HydrophobicContact CG2-CB 3.64Å; C44-F48 HydrophobicContact CB-CD1 4.02Å; C44-R56 PolarHBondContact O-NE 3.04Å; C44-R56 PolarHBondContact O-NH2 2.86Å; C44-V59 HydrophobicContact CB-CG1 3.94Å
45N92.4Very high89.4Confident12 Ų1253.4 Ų53.46%0.06428%0.281CS..  trans-84.7162.4178.589.8-52.3000111.7R27 K28 F29 Y43 G47 F48 C49R27-N45 PolarHBondContact O-ND2 2.99Å; K28-N45 WeakPolarHBondContact CA-OD1 3.36Å; F29-N45 HydrophobicContact CD1-CB 4.06Å; F29-N45 HydrophobicContact CE1-CB 3.64Å; F29-N45 HydrophobicContact CZ-CB 4.1Å; F29-N45 PolarHBondContact N-OD1 3.32Å; F29-N45 PolarHBondContact O-N 2.83Å; F29-N45 VanDerWaalsContact O-N 3.14Å; F29-N45 PolarHBondContact O-OD1 3.01Å; Y43-N45 HydrophobicContact CE1-CB 3.81Å; N45-G47 VanDerWaalsContact C-N 3.28Å; N45-G47 PolarHBondContact O-N 3.45Å; N45-F48 WeakPolarHBondContact O-CB 3.36Å; N45-F48 PolarHBondContact O-N 2.78Å; N45-F48 PolarHBondContact OD1-N 3.25Å; N45-C49 PolarHBondContact O-N 2.92Å
46D91.4Very high90Very high89 Ų8950.6 Ų50.648%0.47627%0.27SS..Hα-helixtrans-64.4-34.2-174.7-57.9-41.4000112.1F48 C49 E50 R56D46-F48 PolarHBondContact O-N 3.23Å; D46-C49 WeakPolarHBondContact O-CA 3.19Å; D46-C49 WeakPolarHBondContact O-CB 3.36Å; D46-C49 PolarHBondContact O-N 3.14Å; D46-E50 WeakPolarHBondContact O-CG 3.39Å; D46-E50 PolarHBondContact O-N 3.28Å; D46-R56 IonicContact OD1-CZ 3.94Å; D46-R56 IonicContact OD1-NH1 3.66Å; D46-R56 PolarHBondContact OD1-NH1 3.02Å; D46-R56 IonicContact OD1-NH2 2.89Å; D46-R56 PolarHBondContact OD1-NH2 3.23Å
47G90.7Very high90.4Very high13 Ų1351.8 Ų51.813%0.13429%0.287CS..Hα-helixtrans-64.4-20174.200000115K28 N45 L51K28-G47 VanDerWaalsContact CD-O 3.28Å; K28-G47 WeakPolarHBondContact CD-O 3.19Å; K28-G47 WeakPolarHBondContact CG-O 3.47Å; N45-G47 VanDerWaalsContact C-N 3.28Å; N45-G47 PolarHBondContact O-N 3.45Å; G47-L51 WeakPolarHBondContact O-CB 3.38Å; G47-L51 PolarHBondContact O-N 3.25Å
48F92.7Very high91.1Very high1 Ų145.6 Ų45.60%0.00426%0.258CS..Hα-helixtrans-79.4-40.4168.1177.4-92.9000111.6I30 C44 N45 D46 E50 L51 C52 V59 L69 F129I30-F48 HydrophobicContact CG2-CB 4.44Å; I30-F48 HydrophobicContact CG2-CD1 3.67Å; I30-F48 HydrophobicContact CG2-CD2 3.82Å; I30-F48 HydrophobicContact CG2-CE1 3.77Å; I30-F48 HydrophobicContact CG2-CE2 3.92Å; I30-F48 HydrophobicContact CG2-CG 3.69Å; I30-F48 HydrophobicContact CG2-CZ 3.88Å; C44-F48 HydrophobicContact CB-CD1 4.02Å; N45-F48 WeakPolarHBondContact O-CB 3.36Å; N45-F48 PolarHBondContact O-N 2.78Å; N45-F48 PolarHBondContact OD1-N 3.25Å; D46-F48 PolarHBondContact O-N 3.23Å; F48-E50 VanDerWaalsContact C-N 3.34Å; F48-E50 PolarHBondContact O-N 2.81Å; F48-L51 WeakPolarHBondContact O-CB 3.45Å; F48-L51 PolarHBondContact O-N 3.16Å; F48-L51 VanDerWaalsContact O-N 3.11Å; F48-C52 PolarHBondContact O-N 3.23Å; F48-C52 VanDerWaalsContact O-N 3.12Å; F48-C52 PolarHBondContact O-SG 3.35Å; F48-V59 HydrophobicContact CD1-CG1 4.39Å; F48-V59 HydrophobicContact CE1-CG1 3.78Å; F48-V59 HydrophobicContact CE1-CG2 3.96Å; F48-L69 HydrophobicContact CE2-CD1 4.47Å; F48-L69 HydrophobicContact CZ-CD1 4.15Å; F48-F129 AromaticContact CD2-CD2 3.56Å; F48-F129 HydrophobicContact CD2-CD2 3.56Å; F48-F129 AromaticContact CD2-CE2 3.75Å; F48-F129 HydrophobicContact CD2-CE2 3.75Å; F48-F129 HydrophobicContact CD2-CG 4.1Å; F48-F129 HydrophobicContact CD2-CZ 4.41Å; F48-F129 HydrophobicContact CE2-CD1 4.22Å; F48-F129 AromaticContact CE2-CD2 3.65Å; F48-F129 HydrophobicContact CE2-CD2 3.65Å; F48-F129 HydrophobicContact CE2-CE1 4.05Å; F48-F129 AromaticContact CE2-CE2 3.45Å; F48-F129 HydrophobicContact CE2-CE2 3.45Å; F48-F129 VanDerWaalsContact CE2-CE2 3.45Å; F48-F129 HydrophobicContact CE2-CG 4.05Å; F48-F129 AromaticContact CE2-CZ 3.68Å; F48-F129 HydrophobicContact CE2-CZ 3.68Å; F48-F129 HydrophobicContact CZ-CE2 4.46Å; F48-F129 HydrophobicContact CZ-CZ 4.48Å
49C92.5Very high91.6Very high22 Ų2240.1 Ų40.115%0.14923%0.229CC..Hα-helixtrans-61.8-41.4173.5-73.10000111.7N45 D46 L51 G53 Y54N45-C49 PolarHBondContact O-N 2.92Å; D46-C49 WeakPolarHBondContact O-CA 3.19Å; D46-C49 WeakPolarHBondContact O-CB 3.36Å; D46-C49 PolarHBondContact O-N 3.14Å; C49-L51 VanDerWaalsContact C-N 3.31Å; C49-L51 PolarHBondContact O-N 3.25Å; C49-G53 WeakPolarHBondContact O-CA 3.39Å; C49-G53 PolarHBondContact O-N 3.34Å; C49-Y54 WeakPolarHBondContact CB-O 3.49Å; C49-Y54 PolarHBondContact SG-O 2.98Å
50E90.7Very high91.7Very high149 Ų14941.6 Ų41.670%0.69623%0.234SC*.Hα-helixtrans-61.4-35.8170.7-70.2175178.400113D46 F48D46-E50 WeakPolarHBondContact O-CG 3.39Å; D46-E50 PolarHBondContact O-N 3.28Å; F48-E50 VanDerWaalsContact C-N 3.34Å; F48-E50 PolarHBondContact O-N 2.81Å
51L90.6Very high91.6Very high5 Ų546.7 Ų46.73%0.02626%0.255CS..Hα-helixtrans-69-43-178179.561.9000112.5K28 G47 F48 C49 R100 F106 F129 V131K28-L51 HydrophobicContact CD-CB 4.16Å; K28-L51 HydrophobicContact CD-CD2 4.17Å; G47-L51 WeakPolarHBondContact O-CB 3.38Å; G47-L51 PolarHBondContact O-N 3.25Å; F48-L51 WeakPolarHBondContact O-CB 3.45Å; F48-L51 PolarHBondContact O-N 3.16Å; F48-L51 VanDerWaalsContact O-N 3.11Å; C49-L51 VanDerWaalsContact C-N 3.31Å; C49-L51 PolarHBondContact O-N 3.25Å; L51-R100 VanDerWaalsContact O-CD 3.26Å; L51-R100 WeakPolarHBondContact O-CD 3.44Å; L51-R100 WeakPolarHBondContact O-CG 3.41Å; L51-R100 PolarHBondContact O-NE 3.35Å; L51-F106 HydrophobicContact CD1-CD2 4.12Å; L51-F106 HydrophobicContact CD1-CE2 3.69Å; L51-F106 HydrophobicContact CD1-CZ 4.14Å; L51-F106 HydrophobicContact CD2-CE2 4.09Å; L51-F106 HydrophobicContact CD2-CZ 4.45Å; L51-F106 HydrophobicContact CG-CE2 3.83Å; L51-F106 HydrophobicContact CG-CZ 3.94Å; L51-F129 HydrophobicContact CD2-CB 3.66Å; L51-F129 HydrophobicContact CD2-CG 4.46Å; L51-V131 HydrophobicContact CD1-CG2 3.47Å; L51-V131 VanDerWaalsContact CD1-CG2 3.47Å
52C92Very high91.5Very high1 Ų152.7 Ų52.71%0.00728%0.277CS..Hα-helixtrans-101.9-16.8-173.764.70000114.5F48 Y54 L69 R100 K101F48-C52 PolarHBondContact O-N 3.23Å; F48-C52 VanDerWaalsContact O-N 3.12Å; F48-C52 PolarHBondContact O-SG 3.35Å; C52-Y54 VanDerWaalsContact C-N 3.25Å; C52-Y54 HydrophobicContact CB-CD2 3.96Å; C52-Y54 WeakPolarHBondContact O-CD2 3.08Å; C52-Y54 PolarHBondContact O-N 3.42Å; C52-L69 HydrophobicContact CB-CD2 3.66Å; C52-R100 CarbonylContact O-C 3.54Å; C52-R100 VanDerWaalsContact O-CA 3.3Å; C52-R100 WeakPolarHBondContact O-CA 3.49Å; C52-K101 PolarHBondContact O-N 3.17Å
53G91.5Very high91.6Very high42 Ų4251.6 Ų51.643%0.43327%0.274SS..  trans77.81.2-175.900000114.8C49 K101C49-G53 WeakPolarHBondContact O-CA 3.39Å; C49-G53 PolarHBondContact O-N 3.34Å; G53-K101 WeakPolarHBondContact O-CD 3.39Å
54Y93.7Very high91.5Very high48 Ų4849.5 Ų49.519%0.18827%0.267CS..  trans-89.4139.6176.3-68-87.5000111.5C49 C52 E58 F68 L69 K101C49-Y54 WeakPolarHBondContact CB-O 3.49Å; C49-Y54 PolarHBondContact SG-O 2.98Å; C52-Y54 VanDerWaalsContact C-N 3.25Å; C52-Y54 HydrophobicContact CB-CD2 3.96Å; C52-Y54 WeakPolarHBondContact O-CD2 3.08Å; C52-Y54 PolarHBondContact O-N 3.42Å; Y54-E58 HydrophobicContact CD1-CB 4.21Å; Y54-F68 HydrophobicContact CD2-CD2 4.12Å; Y54-F68 HydrophobicContact CD2-CE2 4.21Å; Y54-F68 HydrophobicContact CE2-CD2 4.02Å; Y54-F68 HydrophobicContact CG-CD2 4.41Å; Y54-F68 HydrophobicContact CG-CE2 4.44Å; Y54-F68 PolarHBondContact OH-O 2.87Å; Y54-L69 HydrophobicContact CD2-CD2 3.99Å; Y54-L69 HydrophobicContact CE2-CD2 3.84Å; Y54-K101 HydrophobicContact CD1-CB 4.48Å; Y54-K101 HydrophobicContact CD1-CD 3.93Å; Y54-K101 HydrophobicContact CD1-CG 4.34Å; Y54-K101 HydrophobicContact CD2-CB 4.18Å; Y54-K101 HydrophobicContact CE1-CB 4.25Å; Y54-K101 HydrophobicContact CE1-CD 4.1Å; Y54-K101 HydrophobicContact CE1-CG 4.05Å; Y54-K101 HydrophobicContact CE2-CB 3.94Å; Y54-K101 HydrophobicContact CG-CB 4.45Å; Y54-K101 HydrophobicContact CG-CD 4.35Å
55S93.5Very high91.3Very high54 Ų5451.3 Ų51.338%0.37828%0.278SS..  trans-71.5156175.2680000111.8A57 E58 V59S55-A57 PolarHBondContact O-N 3.13Å; S55-A57 VanDerWaalsContact O-N 3.09Å; S55-E58 WeakPolarHBondContact CB-OE2 3.38Å; S55-E58 PolarHBondContact N-OE2 2.79Å; S55-E58 PolarHBondContact O-N 2.94Å; S55-E58 WeakPolarHBondContact OG-CG 3.48Å; S55-E58 PolarHBondContact OG-OE2 3.07Å; S55-V59 PolarHBondContact O-N 3.32Å
56R92.7Very high91.2Very high97 Ų9750.8 Ų50.837%0.36628%0.275SS..Hα-helixtrans-53.1-31.5175.1-179.8170.2-75.6116.8-1.8112.7C44 D46 M60C44-R56 PolarHBondContact O-NE 3.04Å; C44-R56 PolarHBondContact O-NH2 2.86Å; D46-R56 IonicContact OD1-CZ 3.94Å; D46-R56 IonicContact OD1-NH1 3.66Å; D46-R56 PolarHBondContact OD1-NH1 3.02Å; D46-R56 IonicContact OD1-NH2 2.89Å; D46-R56 PolarHBondContact OD1-NH2 3.23Å; R56-M60 HydrophobicContact CG-CG 3.97Å; R56-M60 VanDerWaalsContact O-CB 3.28Å; R56-M60 WeakPolarHBondContact O-CB 3.3Å; R56-M60 WeakPolarHBondContact O-CG 3.31Å; R56-M60 PolarHBondContact O-N 2.71Å; R56-M60 VanDerWaalsContact O-N 3.1Å
57A91.2Very high91Very high90 Ų9050.8 Ų50.874%0.74428%0.275SS*.Hα-helixtrans-70.2-29176.700000114S55S55-A57 PolarHBondContact O-N 3.13Å; S55-A57 VanDerWaalsContact O-N 3.09Å
58E92.5Very high91Very high61 Ų6152.4 Ų52.429%0.28528%0.278SS..Hα-helixtrans-82.7-31.1179.7-67.6164.7103.300112.6Y54 S55 R62 K101Y54-E58 HydrophobicContact CD1-CB 4.21Å; S55-E58 WeakPolarHBondContact CB-OE2 3.38Å; S55-E58 PolarHBondContact N-OE2 2.79Å; S55-E58 PolarHBondContact O-N 2.94Å; S55-E58 WeakPolarHBondContact OG-CG 3.48Å; S55-E58 PolarHBondContact OG-OE2 3.07Å; E58-R62 VanDerWaalsContact O-CG 3.24Å; E58-R62 WeakPolarHBondContact O-CG 3.31Å; E58-R62 PolarHBondContact O-NE 2.93Å; E58-K101 WeakPolarHBondContact OE1-CE 3.07Å; E58-K101 IonicContact OE1-NZ 2.72Å; E58-K101 PolarHBondContact OE1-NZ 3.36Å; E58-K101 IonicContact OE2-NZ 3.32Å; E58-K101 PolarHBondContact OE2-NZ 3.29Å
59V92.6Very high91Very high0 Ų052.4 Ų52.40%028%0.278CS..Hα-helixtrans-83.5-38.9-177.7176.20000112.3V41 C44 F48 S55 R62 F68V41-V59 HydrophobicContact CG1-CG1 4.21Å; C44-V59 HydrophobicContact CB-CG1 3.94Å; F48-V59 HydrophobicContact CD1-CG1 4.39Å; F48-V59 HydrophobicContact CE1-CG1 3.78Å; F48-V59 HydrophobicContact CE1-CG2 3.96Å; S55-V59 PolarHBondContact O-N 3.32Å; V59-R62 WeakPolarHBondContact O-CB 3.25Å; V59-R62 WeakPolarHBondContact O-CG 3.37Å; V59-R62 PolarHBondContact O-N 2.79Å; V59-F68 HydrophobicContact CG1-CZ 4.5Å; V59-F68 HydrophobicContact CG2-CE2 4.36Å; V59-F68 HydrophobicContact CG2-CZ 4.34Å
60M89.6Confident91Very high59 Ų5954.4 Ų54.429%0.29129%0.285SS..THydrogen-bonded Turntrans-62.8144.3-177.7-75.4-76.9-72.400112.1I42 R56 R62I42-M60 WeakPolarHBondContact O-CE 3.3Å; R56-M60 HydrophobicContact CG-CG 3.97Å; R56-M60 VanDerWaalsContact O-CB 3.28Å; R56-M60 WeakPolarHBondContact O-CB 3.3Å; R56-M60 WeakPolarHBondContact O-CG 3.31Å; R56-M60 PolarHBondContact O-N 2.71Å; R56-M60 VanDerWaalsContact O-N 3.1Å; M60-R62 PolarHBondContact O-N 2.8Å; M60-R62 VanDerWaalsContact O-N 3.13Å
61Q87.3Confident90.9Very high124 Ų12448.5 Ų48.558%0.57927%0.265SS*.THydrogen-bonded Turntrans62.75.6-177.3-56.7-175.9-133.900116.2V41 R271V41-Q61 PolarHBondContact O-N 2.83Å; Q61-R271 VanDerWaalsContact OE1-CZ 3.31Å
62R90.6Very high90.8Very high127 Ų12754.3 Ų54.348%0.47930%0.303SS..SBendtrans-76159.5167.5-62.6-64.7-171.2156.3-1111.7A40 V41 E58 V59 M60 F68A40-R62 WeakPolarHBondContact CA-O 3.45Å; V41-R62 PolarHBondContact N-O 3.4Å; E58-R62 VanDerWaalsContact O-CG 3.24Å; E58-R62 WeakPolarHBondContact O-CG 3.31Å; E58-R62 PolarHBondContact O-NE 2.93Å; V59-R62 WeakPolarHBondContact O-CB 3.25Å; V59-R62 WeakPolarHBondContact O-CG 3.37Å; V59-R62 PolarHBondContact O-N 2.79Å; M60-R62 PolarHBondContact O-N 2.8Å; M60-R62 VanDerWaalsContact O-N 3.13Å; R62-F68 HydrophobicContact CB-CD1 4.42Å; R62-F68 HydrophobicContact CB-CE1 3.87Å; R62-F68 HydrophobicContact CG-CD1 4.27Å; R62-F68 HydrophobicContact CG-CE1 3.95Å
63P91.7Very high90.6Very high43 Ų4362.6 Ų62.628%0.27933%0.334SS..BIsolated β-bridgetrans-61143.2165.8-20.133.1000111.8N38 T65 C66N38-P63 WeakPolarHBondContact O-CA 3.25Å; P63-T65 PolarHBondContact O-N 3.2Å; P63-C66 PolarHBondContact O-N 3.27Å
64C89.6Confident90.5Very high3 Ų361.5 Ų61.52%0.0232%0.319CS..THydrogen-bonded Turntrans-76.80.2179.964.40000115.2A32 C39 V41 C66 L86 L127A32-C64 HydrophobicContact CB-CB 3.52Å; C39-C64 WeakPolarHBondContact CB-SG 3.26Å; C39-C64 WeakPolarHBondContact O-CB 3.43Å; C39-C64 PolarHBondContact O-N 2.94Å; C39-C64 PolarHBondContact O-SG 3.02Å; C39-C64 VanDerWaalsContact O-SG 3.33Å; V41-C64 HydrophobicContact CG2-CB 4.14Å; C64-C66 PolarHBondContact O-N 3.11Å; C64-L86 VanDerWaalsContact SG-CD1 3.53Å; C64-L127 HydrophobicContact CB-CD1 4.25Å; C64-L127 WeakPolarHBondContact O-CD2 3.49Å
65T88.8Confident90.3Very high38 Ų3865.6 Ų65.623%0.23334%0.34CS..THydrogen-bonded Turntrans-66.2-20.5163.747.30000112.4P63 D67 H70 A83 L86P63-T65 PolarHBondContact O-N 3.2Å; T65-D67 VanDerWaalsContact CB-OD1 3.24Å; T65-D67 WeakPolarHBondContact CB-OD1 3.3Å; T65-D67 PolarHBondContact O-N 2.78Å; T65-D67 PolarHBondContact OG1-OD1 3.02Å; T65-H70 PolarHBondContact O-CE1 3.09Å; T65-A83 HydrophobicContact CG2-CB 4.45Å; T65-L86 HydrophobicContact CG2-CD1 4.1Å
66C89Confident90.1Very high1 Ų174.1 Ų74.11%0.00736%0.364CS..  trans5647177.1-64.90000113.6P63 C64 F68 L69 H70P63-C66 PolarHBondContact O-N 3.27Å; C64-C66 PolarHBondContact O-N 3.11Å; C66-F68 HydrophobicContact CB-CE1 4.15Å; C66-F68 HydrophobicContact CB-CZ 4.24Å; C66-F68 PolarHBondContact O-N 3.35Å; C66-L69 HydrophobicContact CB-CD1 3.88Å; C66-L69 HydrophobicContact CB-CG 4.09Å; C66-L69 WeakPolarHBondContact O-CB 3.48Å; C66-L69 PolarHBondContact O-N 2.99Å; C66-H70 PolarHBondContact O-ND1 3.38Å
67D88.6Confident90.1Very high89 Ų8979.2 Ų79.248%0.47638%0.383SS..G310 helixtrans-52.8-29.9-178.9-33.9-39.7000112.9T65 L69 H70T65-D67 VanDerWaalsContact CB-OD1 3.24Å; T65-D67 WeakPolarHBondContact CB-OD1 3.3Å; T65-D67 PolarHBondContact O-N 2.78Å; T65-D67 PolarHBondContact OG1-OD1 3.02Å; D67-L69 PolarHBondContact O-N 2.86Å; D67-H70 VanDerWaalsContact O-CB 3.3Å; D67-H70 WeakPolarHBondContact O-CB 3.14Å; D67-H70 PolarHBondContact O-N 2.58Å; D67-H70 VanDerWaalsContact O-N 3.07Å
68F90.3Very high90Very high47 Ų4775.3 Ų75.321%0.20635%0.35CS..G310 helixtrans-69.8-10.2176.961.8-90.7000114.6Y54 V59 R62 C66Y54-F68 HydrophobicContact CD2-CD2 4.12Å; Y54-F68 HydrophobicContact CD2-CE2 4.21Å; Y54-F68 HydrophobicContact CE2-CD2 4.02Å; Y54-F68 HydrophobicContact CG-CD2 4.41Å; Y54-F68 HydrophobicContact CG-CE2 4.44Å; Y54-F68 PolarHBondContact OH-O 2.87Å; V59-F68 HydrophobicContact CG1-CZ 4.5Å; V59-F68 HydrophobicContact CG2-CE2 4.36Å; V59-F68 HydrophobicContact CG2-CZ 4.34Å; R62-F68 HydrophobicContact CB-CD1 4.42Å; R62-F68 HydrophobicContact CB-CE1 3.87Å; R62-F68 HydrophobicContact CG-CD1 4.27Å; R62-F68 HydrophobicContact CG-CE1 3.95Å; C66-F68 HydrophobicContact CB-CE1 4.15Å; C66-F68 HydrophobicContact CB-CZ 4.24Å; C66-F68 PolarHBondContact O-N 3.35Å
69L92.3Very high89.9Confident1 Ų173.4 Ų73.41%0.00535%0.345CS..G310 helixtrans-95-5.5170.5-56.8-177.1000112.7F48 C52 Y54 C66 D67 F98 Y99F48-L69 HydrophobicContact CE2-CD1 4.47Å; F48-L69 HydrophobicContact CZ-CD1 4.15Å; C52-L69 HydrophobicContact CB-CD2 3.66Å; Y54-L69 HydrophobicContact CD2-CD2 3.99Å; Y54-L69 HydrophobicContact CE2-CD2 3.84Å; C66-L69 HydrophobicContact CB-CD1 3.88Å; C66-L69 HydrophobicContact CB-CG 4.09Å; C66-L69 WeakPolarHBondContact O-CB 3.48Å; C66-L69 PolarHBondContact O-N 2.99Å; D67-L69 PolarHBondContact O-N 2.86Å; L69-F98 HydrophobicContact CB-CB 4.2Å; L69-F98 HydrophobicContact CB-CD1 3.49Å; L69-F98 VanDerWaalsContact CB-CD1 3.49Å; L69-F98 HydrophobicContact CB-CE1 3.95Å; L69-F98 HydrophobicContact CB-CG 3.92Å; L69-F98 HydrophobicContact CD1-CD1 4.39Å; L69-F98 HydrophobicContact CD1-CD2 4.32Å; L69-F98 HydrophobicContact CD1-CE1 4.47Å; L69-F98 HydrophobicContact CD1-CE2 4.4Å; L69-F98 HydrophobicContact CD1-CG 4.32Å; L69-F98 HydrophobicContact CD1-CZ 4.47Å; L69-F98 WeakPolarHBondContact O-CA 3.35Å; L69-F98 WeakPolarHBondContact O-CD1 3.48Å; L69-Y99 PolarHBondContact O-N 3.23Å
70H91.9Very high89.8Confident63 Ų6376.1 Ų76.129%0.29237%0.368SS..  trans-79.8146.3179.9-6315.3000111.1T65 C66 D67 T74 A79 F98T65-H70 PolarHBondContact O-CE1 3.09Å; C66-H70 PolarHBondContact O-ND1 3.38Å; D67-H70 VanDerWaalsContact O-CB 3.3Å; D67-H70 WeakPolarHBondContact O-CB 3.14Å; D67-H70 PolarHBondContact O-N 2.58Å; D67-H70 VanDerWaalsContact O-N 3.07Å; H70-T74 HydrophobicContact CB-CG2 4.07Å; H70-A79 WeakPolarHBondContact NE2-CB 3.49Å; H70-F98 AromaticContact ND1-CE1 3.89Å
71G89.9Confident89.9Confident26 Ų2677.4 Ų77.427%0.26837%0.373SS..  trans-159.8-166.717600000112.5R73 T74 Y99G71-R73 VanDerWaalsContact C-N 3.32Å; G71-R73 PolarHBondContact O-N 3.33Å; G71-R73 VanDerWaalsContact O-N 3.13Å; G71-T74 PolarHBondContact N-OG1 2.74Å; G71-T74 VanDerWaalsContact O-CB 3.25Å; G71-T74 WeakPolarHBondContact O-CB 3.45Å; G71-T74 PolarHBondContact O-N 3.01Å; G71-T74 PolarHBondContact O-OG1 2.88Å; G71-Y99 VanDerWaalsContact C-CE2 3.48Å; G71-Y99 VanDerWaalsContact CA-CD2 3.48Å
72P88Confident90.1Very high126 Ų12671.7 Ų71.782%0.81835%0.346SS*.THydrogen-bonded Turntrans-54.8-34.4-169.1-31.236.4000116.7
73R86.9Confident90.1Very high175 Ų17567.2 Ų67.266%0.6634%0.337SS*.THydrogen-bonded Turntrans-84.4-5.5176.3-70.4-178.171.2-174.53114.5G71 Q75 A97 Y99G71-R73 VanDerWaalsContact C-N 3.32Å; G71-R73 PolarHBondContact O-N 3.33Å; G71-R73 VanDerWaalsContact O-N 3.13Å; R73-Q75 PolarHBondContact O-N 2.87Å; R73-A97 HydrophobicContact CB-CB 4.05Å; R73-Y99 HydrophobicContact CB-CE2 4.23Å; R73-Y99 WeakPolarHBondContact CB-OH 3.4Å; R73-Y99 WeakPolarHBondContact CG-OH 3.35Å; R73-Y99 PolarHBondContact N-OH 2.87Å
74T90.2Very high90Very high19 Ų1970.4 Ų70.412%0.11735%0.348CS..  trans-76.1111.3-176.6-51.50000110.8H70 G71 R76 I96 A97H70-T74 HydrophobicContact CB-CG2 4.07Å; G71-T74 PolarHBondContact N-OG1 2.74Å; G71-T74 VanDerWaalsContact O-CB 3.25Å; G71-T74 WeakPolarHBondContact O-CB 3.45Å; G71-T74 PolarHBondContact O-N 3.01Å; G71-T74 PolarHBondContact O-OG1 2.88Å; T74-R76 PolarHBondContact O-N 3.29Å; T74-I96 HydrophobicContact CG2-CD1 3.73Å; T74-I96 HydrophobicContact CG2-CG1 3.78Å; T74-A97 WeakPolarHBondContact CB-O 3.39Å; T74-A97 PolarHBondContact OG1-O 3.07Å
75Q89.7Confident90Very high135 Ų13570.3 Ų70.363%0.63135%0.347SS*.  trans-69.1123.7179.7-61.4-170.924.300111.4R73 R77 A78 A79R73-Q75 PolarHBondContact O-N 2.87Å; Q75-R77 PolarHBondContact O-N 2.87Å; Q75-R77 VanDerWaalsContact O-N 3.1Å; Q75-A78 HydrophobicContact CB-CB 4.29Å; Q75-A78 PolarHBondContact O-N 2.93Å; Q75-A79 PolarHBondContact O-N 2.94Å
76R89.5Confident90Very high233 Ų23369.2 Ų69.288%0.87934%0.34SS*.Hα-helixtrans-54.7-30.4174.6-66.4-175.3-176.61731.4113.2T74 A80T74-R76 PolarHBondContact O-N 3.29Å; R76-A80 VanDerWaalsContact O-CB 3.32Å; R76-A80 WeakPolarHBondContact O-CB 3.47Å; R76-A80 PolarHBondContact O-N 3.03Å
77R91.6Very high89.8Confident204 Ų20476.8 Ų76.877%0.7738%0.379SS*.Hα-helixtrans-64.6-41.2174.9-69.3-177.9177.9173.7-1112.5Q75 Q81Q75-R77 PolarHBondContact O-N 2.87Å; Q75-R77 VanDerWaalsContact O-N 3.1Å; R77-Q81 WeakPolarHBondContact O-CG 3.34Å; R77-Q81 PolarHBondContact O-N 3.34Å; R77-Q81 VanDerWaalsContact O-N 3.08Å
78A89.7Confident89.5Confident7 Ų774.7 Ų74.76%0.05838%0.378CS..Hα-helixtrans-69.8-44.9177.300000111.3Q75 A80 Q81 I82 V94 I96Q75-A78 HydrophobicContact CB-CB 4.29Å; Q75-A78 PolarHBondContact O-N 2.93Å; A78-A80 VanDerWaalsContact C-N 3.31Å; A78-A80 PolarHBondContact O-N 2.98Å; A78-Q81 WeakPolarHBondContact O-CB 3.34Å; A78-Q81 PolarHBondContact O-N 2.78Å; A78-Q81 VanDerWaalsContact O-N 3.08Å; A78-I82 PolarHBondContact O-N 3.41Å; A78-I82 VanDerWaalsContact O-N 3.09Å; A78-V94 HydrophobicContact CB-CG1 3.89Å; A78-I96 HydrophobicContact CB-CB 4.15Å; A78-I96 HydrophobicContact CB-CD1 3.97Å; A78-I96 HydrophobicContact CB-CG1 3.95Å
79A90.9Very high89.2Confident21 Ų2173.8 Ų73.817%0.17438%0.379CS..Hα-helixtrans-57.6-43.1174.300000112.1H70 Q75 Q81 I82 A83 I96H70-A79 WeakPolarHBondContact NE2-CB 3.49Å; Q75-A79 PolarHBondContact O-N 2.94Å; A79-Q81 VanDerWaalsContact C-N 3.34Å; A79-Q81 PolarHBondContact O-N 2.94Å; A79-I82 PolarHBondContact O-N 2.71Å; A79-A83 PolarHBondContact O-N 3.43Å; A79-I96 HydrophobicContact CB-CD1 4.42Å
80A90.9Very high88.8Confident58 Ų5878 Ų7848%0.47940%0.399SS..Hα-helixtrans-64.1-34.2174.900000113.3R76 A78 A83 Q84R76-A80 VanDerWaalsContact O-CB 3.32Å; R76-A80 WeakPolarHBondContact O-CB 3.47Å; R76-A80 PolarHBondContact O-N 3.03Å; A78-A80 VanDerWaalsContact C-N 3.31Å; A78-A80 PolarHBondContact O-N 2.98Å; A80-A83 PolarHBondContact O-N 3.1Å; A80-Q84 VanDerWaalsContact O-CB 3.32Å; A80-Q84 WeakPolarHBondContact O-CB 3.12Å; A80-Q84 PolarHBondContact O-N 2.97Å
81Q91.5Very high88.7Confident86 Ų8678.3 Ų78.340%0.40240%0.401SS..Hα-helixtrans-67.7-36.1174.6-74.5169.90.300112.6R77 A78 A79 Q84 A85 V94R77-Q81 WeakPolarHBondContact O-CG 3.34Å; R77-Q81 PolarHBondContact O-N 3.34Å; R77-Q81 VanDerWaalsContact O-N 3.08Å; A78-Q81 WeakPolarHBondContact O-CB 3.34Å; A78-Q81 PolarHBondContact O-N 2.78Å; A78-Q81 VanDerWaalsContact O-N 3.08Å; A79-Q81 VanDerWaalsContact C-N 3.34Å; A79-Q81 PolarHBondContact O-N 2.94Å; Q81-Q84 PolarHBondContact O-N 3.08Å; Q81-A85 WeakPolarHBondContact O-CB 3.31Å; Q81-A85 PolarHBondContact O-N 3Å; Q81-V94 HydrophobicContact CB-CG1 4.19Å; Q81-V94 HydrophobicContact CB-CG2 3.87Å
82I91.3Very high88.7Confident4 Ų480.4 Ų80.42%0.02140%0.401CS..Hα-helixtrans-66.1-47.8173.7-64170.9000109.8A78 A79 Q84 A85 L86 V94 I96 V110 V112A78-I82 PolarHBondContact O-N 3.41Å; A78-I82 VanDerWaalsContact O-N 3.09Å; A79-I82 PolarHBondContact O-N 2.71Å; I82-Q84 VanDerWaalsContact C-N 3.31Å; I82-Q84 PolarHBondContact O-N 3.15Å; I82-A85 PolarHBondContact O-N 3.27Å; I82-L86 HydrophobicContact CG2-CD1 4.18Å; I82-L86 WeakPolarHBondContact O-CG 3.5Å; I82-L86 PolarHBondContact O-N 3.07Å; I82-L86 VanDerWaalsContact O-N 3.09Å; I82-V94 HydrophobicContact CD1-CB 4.43Å; I82-V94 HydrophobicContact CD1-CG1 4.36Å; I82-V94 HydrophobicContact CG1-CB 3.86Å; I82-V94 HydrophobicContact CG1-CG1 3.98Å; I82-V94 HydrophobicContact CG1-CG2 4.02Å; I82-I96 HydrophobicContact CD1-CD1 3.85Å; I82-I96 HydrophobicContact CD1-CG2 4.28Å; I82-V110 HydrophobicContact CD1-CB 4.25Å; I82-V110 HydrophobicContact CD1-CG1 4.37Å; I82-V110 HydrophobicContact CD1-CG2 4.18Å; I82-V112 HydrophobicContact CG2-CG2 4.33Å
83A90.1Very high88.9Confident33 Ų3378.4 Ų78.427%0.27338%0.379SS..Hα-helixtrans-59.2-40.4175.200000112.4T65 A79 A80 L86 L87T65-A83 HydrophobicContact CG2-CB 4.45Å; A79-A83 PolarHBondContact O-N 3.43Å; A80-A83 PolarHBondContact O-N 3.1Å; A83-L86 PolarHBondContact O-N 2.78Å; A83-L87 WeakPolarHBondContact O-CG 3.39Å; A83-L87 PolarHBondContact O-N 3.12Å
84Q89.9Confident89.2Confident110 Ų11070.2 Ų70.251%0.51435%0.348SS..Hα-helixtrans-66.1-38.2175.8-169.7-178.131.300112.6A80 Q81 I82 L87 G88 R92A80-Q84 VanDerWaalsContact O-CB 3.32Å; A80-Q84 WeakPolarHBondContact O-CB 3.12Å; A80-Q84 PolarHBondContact O-N 2.97Å; Q81-Q84 PolarHBondContact O-N 3.08Å; I82-Q84 VanDerWaalsContact C-N 3.31Å; I82-Q84 PolarHBondContact O-N 3.15Å; Q84-L87 PolarHBondContact O-N 3.41Å; Q84-G88 WeakPolarHBondContact O-CA 3.35Å; Q84-G88 PolarHBondContact O-N 3.04Å; Q84-R92 VanDerWaalsContact OE1-NH1 3.09Å
85A89.7Confident89.3Confident0 Ų074.2 Ų74.20%037%0.366CS..Hα-helixtrans-65.2-40.7177.100000112.2Q81 I82 A89 E90 R92 V112Q81-A85 WeakPolarHBondContact O-CB 3.31Å; Q81-A85 PolarHBondContact O-N 3Å; I82-A85 PolarHBondContact O-N 3.27Å; A85-A89 PolarHBondContact O-N 3.47Å; A85-E90 PolarHBondContact O-N 2.85Å; A85-R92 HydrophobicContact CB-CB 3.72Å; A85-V112 HydrophobicContact CB-CB 4.33Å; A85-V112 HydrophobicContact CB-CG1 4.22Å
86L89.1Confident89.4Confident16 Ų1668 Ų688%0.08434%0.336CS..Hα-helixtrans-63.7-46.1175-66.1166.8000111.5C64 T65 I82 A83 V112 F125 L127C64-L86 VanDerWaalsContact SG-CD1 3.53Å; T65-L86 HydrophobicContact CG2-CD1 4.1Å; I82-L86 HydrophobicContact CG2-CD1 4.18Å; I82-L86 WeakPolarHBondContact O-CG 3.5Å; I82-L86 PolarHBondContact O-N 3.07Å; I82-L86 VanDerWaalsContact O-N 3.09Å; A83-L86 PolarHBondContact O-N 2.78Å; L86-V112 HydrophobicContact CD2-CG1 3.94Å; L86-V112 HydrophobicContact CG-CG1 4.42Å; L86-F125 HydrophobicContact CD2-CB 3.99Å; L86-F125 HydrophobicContact CD2-CD1 3.74Å; L86-F125 HydrophobicContact CD2-CD2 3.82Å; L86-F125 HydrophobicContact CD2-CE1 4.15Å; L86-F125 HydrophobicContact CD2-CE2 4.22Å; L86-F125 HydrophobicContact CD2-CG 3.57Å; L86-F125 HydrophobicContact CD2-CZ 4.39Å; L86-F125 WeakPolarHBondContact O-CZ 3.34Å; L86-L127 HydrophobicContact CD2-CD1 4.41Å
87L84.9Confident89.6Confident160 Ų16057.5 Ų57.584%0.83830%0.3SS*.Hα-helixtrans-71-35.9178-69.2171.2000113.2A83 Q84A83-L87 WeakPolarHBondContact O-CG 3.39Å; A83-L87 PolarHBondContact O-N 3.12Å; Q84-L87 PolarHBondContact O-N 3.41Å
88G81.9Confident89.7Confident44 Ų4447.9 Ų47.945%0.45426%0.263SS..Hα-helixtrans-83.3-8.5-177.700000115.1Q84 E90Q84-G88 WeakPolarHBondContact O-CA 3.35Å; Q84-G88 PolarHBondContact O-N 3.04Å; G88-E90 VanDerWaalsContact C-N 3.26Å; G88-E90 PolarHBondContact O-N 3.31Å
89A83.5Confident89.8Confident28 Ų2849.5 Ų49.523%0.23127%0.269CS..THydrogen-bonded Turntrans55.637-17600000114.2A85 P114 V122A85-A89 PolarHBondContact O-N 3.47Å; A89-P114 WeakPolarHBondContact O-CG 3.34Å; A89-V122 HydrophobicContact CB-CG2 3.56Å
90E84.7Confident89.9Confident91 Ų9152.2 Ų52.243%0.42527%0.274SS..  trans-101.1147.1179.4-64.9-175.2177.700112A85 G88 R92A85-E90 PolarHBondContact O-N 2.85Å; G88-E90 VanDerWaalsContact C-N 3.26Å; G88-E90 PolarHBondContact O-N 3.31Å; E90-R92 PolarHBondContact O-N 2.91Å; E90-R92 IonicContact OE1-NH2 2.69Å; E90-R92 IonicContact OE2-CZ 2.8Å; E90-R92 IonicContact OE2-NE 3.05Å; E90-R92 PolarHBondContact OE2-NE 3.47Å; E90-R92 IonicContact OE2-NH2 3.82Å; E90-R92 PolarHBondContact OE2-NH2 3.04Å
91E88.7Confident90Very high68 Ų6854.5 Ų54.532%0.31827%0.273SS..  trans-71120.1160.7-175.8-172152.700108K93 V112 L378E91-K93 IonicContact OE1-NZ 3Å; E91-K93 PolarHBondContact OE1-NZ 3.12Å; E91-V112 WeakPolarHBondContact CA-O 3.42Å; E91-L378 VanDerWaalsContact OE2-CD1 3.25Å; E91-L378 WeakPolarHBondContact OE2-CD1 3.49Å
92R89.9Confident89.9Confident71 Ų7156 Ų5627%0.26828%0.284SS..EExtended strand (participates in β ladder)trans-144.5131.4178.7-161.9174-76.6-159.1-3.4111.9Q84 A85 E90 V94 V112Q84-R92 VanDerWaalsContact OE1-NH1 3.09Å; A85-R92 HydrophobicContact CB-CB 3.72Å; E90-R92 PolarHBondContact O-N 2.91Å; E90-R92 IonicContact OE1-NH2 2.69Å; E90-R92 IonicContact OE2-CZ 2.8Å; E90-R92 IonicContact OE2-NE 3.05Å; E90-R92 PolarHBondContact OE2-NE 3.47Å; E90-R92 IonicContact OE2-NH2 3.82Å; E90-R92 PolarHBondContact OE2-NH2 3.04Å; R92-V94 HydrophobicContact CG-CG2 4.15Å; R92-V112 PolarHBondContact N-O 3.46Å; R92-V112 VanDerWaalsContact N-O 3.16Å; R92-V112 PolarHBondContact O-N 2.87Å
93K92.5Very high89.6Confident84 Ų8458.3 Ų58.337%0.36531%0.309SS..EExtended strand (participates in β ladder)trans-100.7117.9177.5-73.3164.2-178.2151.70108.7E91 L109 V110 D111E91-K93 IonicContact OE1-NZ 3Å; E91-K93 PolarHBondContact OE1-NZ 3.12Å; K93-L109 HydrophobicContact CB-CD1 4.26Å; K93-V110 WeakPolarHBondContact CA-O 3.4Å; K93-D111 WeakPolarHBondContact CE-OD1 3.38Å; K93-D111 WeakPolarHBondContact CE-OD2 3.42Å; K93-D111 HydrophobicContact CG-CB 4.18Å; K93-D111 WeakPolarHBondContact CG-OD1 3.44Å; K93-D111 IonicContact NZ-OD1 3.58Å; K93-D111 IonicContact NZ-OD2 2.73Å
94V92.4Very high89.6Confident2 Ų258.5 Ų58.51%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-124.6122.8-176-176.10000109.1A78 Q81 I82 R92 V110A78-V94 HydrophobicContact CB-CG1 3.89Å; Q81-V94 HydrophobicContact CB-CG1 4.19Å; Q81-V94 HydrophobicContact CB-CG2 3.87Å; I82-V94 HydrophobicContact CD1-CB 4.43Å; I82-V94 HydrophobicContact CD1-CG1 4.36Å; I82-V94 HydrophobicContact CG1-CB 3.86Å; I82-V94 HydrophobicContact CG1-CG1 3.98Å; I82-V94 HydrophobicContact CG1-CG2 4.02Å; R92-V94 HydrophobicContact CG-CG2 4.15Å; V94-V110 PolarHBondContact N-O 3.46Å; V94-V110 PolarHBondContact O-N 3.23Å
95E93Very high89.6Confident104 Ų10455.2 Ų55.249%0.48630%0.297SS..EExtended strand (participates in β ladder)trans-85129.3172.9-175.5169.7-136.900110.1L107 L109E95-L107 HydrophobicContact CG-CD1 3.85Å; E95-L107 HydrophobicContact CG-CG 4.11Å; E95-L107 WeakPolarHBondContact OE1-CD2 3.22Å; E95-L109 HydrophobicContact CB-CD1 4.31Å
96I92.3Very high89.7Confident3 Ų356 Ų562%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-148.5139.8-173.2-166.2165.9000110.9T74 A78 A79 I82 F98 C108 V110T74-I96 HydrophobicContact CG2-CD1 3.73Å; T74-I96 HydrophobicContact CG2-CG1 3.78Å; A78-I96 HydrophobicContact CB-CB 4.15Å; A78-I96 HydrophobicContact CB-CD1 3.97Å; A78-I96 HydrophobicContact CB-CG1 3.95Å; A79-I96 HydrophobicContact CB-CD1 4.42Å; I82-I96 HydrophobicContact CD1-CD1 3.85Å; I82-I96 HydrophobicContact CD1-CG2 4.28Å; I96-F98 HydrophobicContact CD1-CE1 3.97Å; I96-F98 HydrophobicContact CD1-CZ 4.38Å; I96-F98 HydrophobicContact CG1-CE1 4.3Å; I96-F98 HydrophobicContact CG2-CD1 4.22Å; I96-F98 HydrophobicContact CG2-CD2 3.93Å; I96-F98 HydrophobicContact CG2-CE1 3.83Å; I96-F98 HydrophobicContact CG2-CE2 3.49Å; I96-F98 VanDerWaalsContact CG2-CE2 3.49Å; I96-F98 HydrophobicContact CG2-CG 4.27Å; I96-F98 HydrophobicContact CG2-CZ 3.45Å; I96-F98 VanDerWaalsContact CG2-CZ 3.45Å; I96-C108 PolarHBondContact N-O 2.68Å; I96-C108 PolarHBondContact O-N 2.8Å; I96-V110 HydrophobicContact CG2-CG2 3.67Å
97A92.3Very high89.8Confident13 Ų1358.1 Ų58.111%0.10731%0.311CS..EExtended strand (participates in β ladder)trans-82.5117.817100000109.4R73 T74 F106R73-A97 HydrophobicContact CB-CB 4.05Å; T74-A97 WeakPolarHBondContact CB-O 3.39Å; T74-A97 PolarHBondContact OG1-O 3.07Å; A97-F106 WeakPolarHBondContact CA-O 3.48Å
98F94.2Very high90.1Very high2 Ų250.5 Ų50.51%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-109159.2175.6-75-43.6000111.5L69 H70 I96 C105 F106 C108 V110 F129L69-F98 HydrophobicContact CB-CB 4.2Å; L69-F98 HydrophobicContact CB-CD1 3.49Å; L69-F98 VanDerWaalsContact CB-CD1 3.49Å; L69-F98 HydrophobicContact CB-CE1 3.95Å; L69-F98 HydrophobicContact CB-CG 3.92Å; L69-F98 HydrophobicContact CD1-CD1 4.39Å; L69-F98 HydrophobicContact CD1-CD2 4.32Å; L69-F98 HydrophobicContact CD1-CE1 4.47Å; L69-F98 HydrophobicContact CD1-CE2 4.4Å; L69-F98 HydrophobicContact CD1-CG 4.32Å; L69-F98 HydrophobicContact CD1-CZ 4.47Å; L69-F98 WeakPolarHBondContact O-CA 3.35Å; L69-F98 WeakPolarHBondContact O-CD1 3.48Å; H70-F98 AromaticContact ND1-CE1 3.89Å; I96-F98 HydrophobicContact CD1-CE1 3.97Å; I96-F98 HydrophobicContact CD1-CZ 4.38Å; I96-F98 HydrophobicContact CG1-CE1 4.3Å; I96-F98 HydrophobicContact CG2-CD1 4.22Å; I96-F98 HydrophobicContact CG2-CD2 3.93Å; I96-F98 HydrophobicContact CG2-CE1 3.83Å; I96-F98 HydrophobicContact CG2-CE2 3.49Å; I96-F98 VanDerWaalsContact CG2-CE2 3.49Å; I96-F98 HydrophobicContact CG2-CG 4.27Å; I96-F98 HydrophobicContact CG2-CZ 3.45Å; I96-F98 VanDerWaalsContact CG2-CZ 3.45Å; F98-C105 CarbonylContact O-C 3.57Å; F98-C105 WeakPolarHBondContact O-CA 3.33Å; F98-F106 HydrophobicContact CB-CD1 4.45Å; F98-F106 HydrophobicContact CB-CE1 3.82Å; F98-F106 HydrophobicContact CB-CE2 4.1Å; F98-F106 HydrophobicContact CB-CZ 3.62Å; F98-F106 HydrophobicContact CD2-CE2 4.42Å; F98-F106 HydrophobicContact CD2-CZ 4.39Å; F98-F106 PolarHBondContact N-O 3.44Å; F98-F106 WeakPolarHBondContact O-CD1 3.32Å; F98-F106 PolarHBondContact O-N 3.33Å; F98-C108 HydrophobicContact CD2-CB 3.8Å; F98-C108 HydrophobicContact CE2-CB 4.35Å; F98-V110 HydrophobicContact CE2-CG2 3.47Å; F98-V110 VanDerWaalsContact CE2-CG2 3.47Å; F98-V110 HydrophobicContact CZ-CG2 3.82Å; F98-F129 AromaticContact CE2-CD1 3.89Å; F98-F129 HydrophobicContact CE2-CD1 3.89Å; F98-F129 AromaticContact CE2-CE1 3.72Å; F98-F129 HydrophobicContact CE2-CE1 3.72Å; F98-F129 HydrophobicContact CZ-CE1 4.25Å
99Y92.9Very high90.7Very high42 Ų4250.9 Ų50.917%0.16526%0.263CS..EExtended strand (participates in β ladder)trans-111.9139.9175.4-73.4-102.6000110.5L69 G71 R73 G103 S104 C105L69-Y99 PolarHBondContact O-N 3.23Å; G71-Y99 VanDerWaalsContact C-CE2 3.48Å; G71-Y99 VanDerWaalsContact CA-CD2 3.48Å; R73-Y99 HydrophobicContact CB-CE2 4.23Å; R73-Y99 WeakPolarHBondContact CB-OH 3.4Å; R73-Y99 WeakPolarHBondContact CG-OH 3.35Å; R73-Y99 PolarHBondContact N-OH 2.87Å; Y99-G103 WeakPolarHBondContact CD1-O 3.32Å; Y99-S104 WeakPolarHBondContact CA-O 3.49Å; Y99-C105 HydrophobicContact CD1-CB 4.2Å; Y99-C105 HydrophobicContact CE1-CB 3.82Å; Y99-C105 HydrophobicContact CE2-CB 4.43Å
100R92.9Very high91.2Very high77 Ų7749.6 Ų49.629%0.29125%0.252SS..  trans-84.5166.2169.2-65-164.5-172.6100.51.2111.3L51 C52 D102 G103 S104 F106L51-R100 VanDerWaalsContact O-CD 3.26Å; L51-R100 WeakPolarHBondContact O-CD 3.44Å; L51-R100 WeakPolarHBondContact O-CG 3.41Å; L51-R100 PolarHBondContact O-NE 3.35Å; C52-R100 CarbonylContact O-C 3.54Å; C52-R100 VanDerWaalsContact O-CA 3.3Å; C52-R100 WeakPolarHBondContact O-CA 3.49Å; R100-D102 WeakPolarHBondContact CB-OD1 3.49Å; R100-D102 PolarHBondContact O-N 3Å; R100-G103 PolarHBondContact O-N 3.04Å; R100-S104 WeakPolarHBondContact CD-OG 3.48Å; R100-S104 PolarHBondContact N-O 3.38Å; R100-S104 PolarHBondContact NH1-OG 3.25Å; R100-F106 HydrophobicContact CG-CD1 3.72Å; R100-F106 HydrophobicContact CG-CE1 3.54Å
101K91.4Very high91.5Very high107 Ų10746 Ų4647%0.46524%0.236SC..THydrogen-bonded Turntrans-59.8-20.9172.8-166.6174.2-179.7172.40114.4C52 G53 Y54 E58 G103C52-K101 PolarHBondContact O-N 3.17Å; G53-K101 WeakPolarHBondContact O-CD 3.39Å; Y54-K101 HydrophobicContact CD1-CB 4.48Å; Y54-K101 HydrophobicContact CD1-CD 3.93Å; Y54-K101 HydrophobicContact CD1-CG 4.34Å; Y54-K101 HydrophobicContact CD2-CB 4.18Å; Y54-K101 HydrophobicContact CE1-CB 4.25Å; Y54-K101 HydrophobicContact CE1-CD 4.1Å; Y54-K101 HydrophobicContact CE1-CG 4.05Å; Y54-K101 HydrophobicContact CE2-CB 3.94Å; Y54-K101 HydrophobicContact CG-CB 4.45Å; Y54-K101 HydrophobicContact CG-CD 4.35Å; E58-K101 WeakPolarHBondContact OE1-CE 3.07Å; E58-K101 IonicContact OE1-NZ 2.72Å; E58-K101 PolarHBondContact OE1-NZ 3.36Å; E58-K101 IonicContact OE2-NZ 3.32Å; E58-K101 PolarHBondContact OE2-NZ 3.29Å; K101-G103 VanDerWaalsContact C-N 3.32Å
102D89.8Confident91.7Very high118 Ų11842.8 Ų42.863%0.63122%0.221SC*.THydrogen-bonded Turntrans-85.70.3172.769.4-0.6000113.7R100 S104R100-D102 WeakPolarHBondContact CB-OD1 3.49Å; R100-D102 PolarHBondContact O-N 3Å; D102-S104 VanDerWaalsContact C-N 3.33Å; D102-S104 WeakPolarHBondContact OD1-CB 3.5Å; D102-S104 PolarHBondContact OD1-N 3.07Å; D102-S104 PolarHBondContact OD1-OG 2.81Å; D102-S104 PolarHBondContact OD2-OG 3.45Å
103G86.1Confident91.8Very high52 Ų5240.3 Ų40.354%0.53621%0.213SC..SBendtrans84.5-4.3-176.300000114.9Y99 R100 K101Y99-G103 WeakPolarHBondContact CD1-O 3.32Å; R100-G103 PolarHBondContact O-N 3.04Å; K101-G103 VanDerWaalsContact C-N 3.32Å
104S90.5Very high91.7Very high36 Ų3637 Ų3725%0.25220%0.201SC..  trans-70.8131.4178.265.50000111.9Y99 R100 D102Y99-S104 WeakPolarHBondContact CA-O 3.49Å; R100-S104 WeakPolarHBondContact CD-OG 3.48Å; R100-S104 PolarHBondContact N-O 3.38Å; R100-S104 PolarHBondContact NH1-OG 3.25Å; D102-S104 VanDerWaalsContact C-N 3.33Å; D102-S104 WeakPolarHBondContact OD1-CB 3.5Å; D102-S104 PolarHBondContact OD1-N 3.07Å; D102-S104 PolarHBondContact OD1-OG 2.81Å; D102-S104 PolarHBondContact OD2-OG 3.45Å
105C90.1Very high91.3Very high42 Ų4238.2 Ų38.228%0.28421%0.208SC..EExtended strand (participates in β ladder)trans-89.4136.7177.1-175.20000110.2F98 Y99F98-C105 CarbonylContact O-C 3.57Å; F98-C105 WeakPolarHBondContact O-CA 3.33Å; Y99-C105 HydrophobicContact CD1-CB 4.2Å; Y99-C105 HydrophobicContact CE1-CB 3.82Å; Y99-C105 HydrophobicContact CE2-CB 4.43Å
106F91.4Very high90.9Very high16 Ų1638 Ų387%0.0721%0.205CC..EExtended strand (participates in β ladder)trans-137.5148.3174.564.2-79.5000111.2L51 A97 F98 R100 C108 V131L51-F106 HydrophobicContact CD1-CD2 4.12Å; L51-F106 HydrophobicContact CD1-CE2 3.69Å; L51-F106 HydrophobicContact CD1-CZ 4.14Å; L51-F106 HydrophobicContact CD2-CE2 4.09Å; L51-F106 HydrophobicContact CD2-CZ 4.45Å; L51-F106 HydrophobicContact CG-CE2 3.83Å; L51-F106 HydrophobicContact CG-CZ 3.94Å; A97-F106 WeakPolarHBondContact CA-O 3.48Å; F98-F106 HydrophobicContact CB-CD1 4.45Å; F98-F106 HydrophobicContact CB-CE1 3.82Å; F98-F106 HydrophobicContact CB-CE2 4.1Å; F98-F106 HydrophobicContact CB-CZ 3.62Å; F98-F106 HydrophobicContact CD2-CE2 4.42Å; F98-F106 HydrophobicContact CD2-CZ 4.39Å; F98-F106 PolarHBondContact N-O 3.44Å; F98-F106 WeakPolarHBondContact O-CD1 3.32Å; F98-F106 PolarHBondContact O-N 3.33Å; R100-F106 HydrophobicContact CG-CD1 3.72Å; R100-F106 HydrophobicContact CG-CE1 3.54Å; F106-C108 HydrophobicContact CD2-CB 3.99Å; F106-C108 HydrophobicContact CE2-CB 3.79Å; F106-V131 HydrophobicContact CD2-CG2 4.4Å
107L91.5Very high90.2Very high60 Ų6038.6 Ų38.631%0.31421%0.209SC..EExtended strand (participates in β ladder)trans-87.4126.6176.4-166.661.1000109.2E95 V132E95-L107 HydrophobicContact CG-CD1 3.85Å; E95-L107 HydrophobicContact CG-CG 4.11Å; E95-L107 WeakPolarHBondContact OE1-CD2 3.22Å; L107-V132 HydrophobicContact CB-CB 4.36Å; L107-V132 HydrophobicContact CD2-CB 4.08Å; L107-V132 HydrophobicContact CD2-CG1 4.14Å; L107-V132 HydrophobicContact CG-CB 4.1Å; L107-V132 PolarHBondContact O-N 3.19Å
108C91.4Very high89.1Confident0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-133.4131.9-172.6-166.70000111.3I96 F98 F106 E130I96-C108 PolarHBondContact N-O 2.68Å; I96-C108 PolarHBondContact O-N 2.8Å; F98-C108 HydrophobicContact CD2-CB 3.8Å; F98-C108 HydrophobicContact CE2-CB 4.35Å; F106-C108 HydrophobicContact CD2-CB 3.99Å; F106-C108 HydrophobicContact CE2-CB 3.79Å; C108-E130 CarbonylContact C-O 3.53Å; C108-E130 VanDerWaalsContact CA-O 3.29Å; C108-E130 WeakPolarHBondContact CA-O 3.47Å; C108-E130 PolarHBondContact SG-O 2.95Å
109L93.2Very high88.2Confident53 Ų5346 Ų4628%0.27725%0.245SC..EExtended strand (participates in β ladder)trans-87116.4166.4-172.667.6000108.4K93 E95 E130 V132K93-L109 HydrophobicContact CB-CD1 4.26Å; E95-L109 HydrophobicContact CB-CD1 4.31Å; L109-E130 HydrophobicContact CB-CB 4.46Å; L109-E130 PolarHBondContact N-O 3.38Å; L109-E130 PolarHBondContact O-N 2.82Å; L109-V132 HydrophobicContact CB-CG2 4.13Å
110V93.3Very high87.4Confident1 Ų146.1 Ų46.11%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-95.3115.8173.3-176.20000108.5I82 K93 V94 I96 F98 V112 L127 F129I82-V110 HydrophobicContact CD1-CB 4.25Å; I82-V110 HydrophobicContact CD1-CG1 4.37Å; I82-V110 HydrophobicContact CD1-CG2 4.18Å; K93-V110 WeakPolarHBondContact CA-O 3.4Å; V94-V110 PolarHBondContact N-O 3.46Å; V94-V110 PolarHBondContact O-N 3.23Å; I96-V110 HydrophobicContact CG2-CG2 3.67Å; F98-V110 HydrophobicContact CE2-CG2 3.47Å; F98-V110 VanDerWaalsContact CE2-CG2 3.47Å; F98-V110 HydrophobicContact CZ-CG2 3.82Å; V110-V112 HydrophobicContact CG1-CG2 3.88Å; V110-L127 HydrophobicContact CG1-CB 4.5Å; V110-L127 HydrophobicContact CG1-CD2 4.19Å; V110-F129 HydrophobicContact CG1-CE1 4.23Å; V110-F129 HydrophobicContact CG2-CD1 3.91Å; V110-F129 HydrophobicContact CG2-CE1 3.87Å
111D92.8Very high86.9Confident16 Ų1644.7 Ų44.79%0.08626%0.263CS..EExtended strand (participates in β ladder)trans-99.299.8175.8-172.45.9000108.7K93 V113 L127 N128K93-D111 WeakPolarHBondContact CE-OD1 3.38Å; K93-D111 WeakPolarHBondContact CE-OD2 3.42Å; K93-D111 HydrophobicContact CG-CB 4.18Å; K93-D111 WeakPolarHBondContact CG-OD1 3.44Å; K93-D111 IonicContact NZ-OD1 3.58Å; K93-D111 IonicContact NZ-OD2 2.73Å; D111-V113 WeakPolarHBondContact OD1-CG2 3.47Å; D111-L127 WeakPolarHBondContact O-CA 3.21Å; D111-N128 HydrophobicContact CB-CB 4.23Å; D111-N128 PolarHBondContact N-O 3.49Å; D111-N128 PolarHBondContact O-N 2.86Å
112V92.5Very high86.6Confident0 Ų041 Ų410%025%0.25CS..EExtended strand (participates in β ladder)trans-89114.3-179.3-175.10000108.9I82 A85 L86 E91 R92 V110 F125 L127I82-V112 HydrophobicContact CG2-CG2 4.33Å; A85-V112 HydrophobicContact CB-CB 4.33Å; A85-V112 HydrophobicContact CB-CG1 4.22Å; L86-V112 HydrophobicContact CD2-CG1 3.94Å; L86-V112 HydrophobicContact CG-CG1 4.42Å; E91-V112 WeakPolarHBondContact CA-O 3.42Å; R92-V112 PolarHBondContact N-O 3.46Å; R92-V112 VanDerWaalsContact N-O 3.16Å; R92-V112 PolarHBondContact O-N 2.87Å; V110-V112 HydrophobicContact CG1-CG2 3.88Å; V112-F125 HydrophobicContact CG1-CD1 4.36Å; V112-L127 HydrophobicContact CG1-CG 4.48Å; V112-L127 HydrophobicContact CG2-CD2 4.28Å; V112-L127 HydrophobicContact CG2-CG 4.3Å
113V90.8Very high86.4Confident18 Ų1836.4 Ų36.411%0.10923%0.225CC..EExtended strand (participates in β ladder)trans-122.4107.3-173.2-176.90000110.6D111 I126 L378D111-V113 WeakPolarHBondContact OD1-CG2 3.47Å; V113-I126 HydrophobicContact CB-CB 4.39Å; V113-I126 PolarHBondContact N-O 3.06Å; V113-I126 PolarHBondContact O-N 3.47Å; V113-L378 HydrophobicContact CG1-CD2 3.63Å
114P90.4Very high86.5Confident16 Ų1634.6 Ų34.610%0.10420%0.203CC..EExtended strand (participates in β ladder)trans-78.1130.3177.829.7-33.1000112.3A89 V122 F125A89-P114 WeakPolarHBondContact O-CG 3.34Å; P114-V122 HydrophobicContact CB-CG1 4.17Å; P114-V122 HydrophobicContact CB-CG2 4.13Å; P114-F125 HydrophobicContact CB-CD1 3.94Å; P114-F125 HydrophobicContact CB-CE1 3.86Å
115V85.6Confident86.5Confident27 Ų2733.2 Ų33.216%0.16419%0.192CC..EExtended strand (participates in β ladder)trans-98.9113.3176.5-176.30000109.6V122 I123 M124 I126V115-V122 WeakPolarHBondContact O-CA 3.43Å; V115-I123 PolarHBondContact O-N 3.28Å; V115-M124 PolarHBondContact N-O 3.08Å; V115-M124 PolarHBondContact O-N 3.45Å; V115-I126 HydrophobicContact CG2-CD1 3.67Å; V115-I126 HydrophobicContact CG2-CG1 3.89Å
116K83.5Confident86.6Confident99 Ų9931.7 Ų31.743%0.4318%0.181SC..EExtended strand (participates in β ladder)trans-96.9157.2180-65.5174.9-178.6-178.90111.6G120 A121 V122K116-G120 WeakPolarHBondContact CD-O 3.25Å; K116-A121 CarbonylContact C-O 3.46Å; K116-A121 VanDerWaalsContact CA-O 3.32Å; K116-A121 WeakPolarHBondContact CA-O 3.18Å; K116-V122 HydrophobicContact CG-CG2 3.87Å
117N77.3Confident86.7Confident15 Ų1531 Ų318%0.0818%0.178CC..  trans-96.3-176.9170.174-20.9000112.1D119 G120 A121 I123 L385N117-D119 PolarHBondContact ND2-OD2 3.36Å; N117-D119 PolarHBondContact O-N 2.99Å; N117-D119 WeakPolarHBondContact OD1-CB 3.47Å; N117-D119 PolarHBondContact OD1-N 3.32Å; N117-G120 PolarHBondContact O-N 3.42Å; N117-G120 PolarHBondContact OD1-N 2.65Å; N117-A121 PolarHBondContact N-O 2.82Å; N117-A121 PolarHBondContact OD1-N 3.34Å; N117-A121 PolarHBondContact OD1-O 3.08Å; N117-A121 VanDerWaalsContact OD1-O 3.1Å; N117-I123 HydrophobicContact CB-CD1 3.93Å; N117-I123 HydrophobicContact CB-CG1 4.14Å; N117-L385 HydrophobicContact CB-CB 3.88Å; N117-L385 HydrophobicContact CB-CD1 4.03Å
118E70.4Confident86.8Confident59 Ų5928.6 Ų28.628%0.27617%0.166SC..THydrogen-bonded Turntrans-57.6-34.7175.5-68.8176.9-164.300112.4G120 L385 P386 R394E118-G120 PolarHBondContact O-N 3.08Å; E118-L385 WeakPolarHBondContact CB-O 3.32Å; E118-L385 HydrophobicContact CG-CB 4.43Å; E118-L385 VanDerWaalsContact CG-O 3.3Å; E118-L385 WeakPolarHBondContact CG-O 3.4Å; E118-L385 VanDerWaalsContact OE1-C 3.27Å; E118-L385 PolarHBondContact OE1-N 3.36Å; E118-L385 VanDerWaalsContact OE1-N 3.08Å; E118-P386 WeakPolarHBondContact OE1-CD 3.46Å; E118-R394 IonicContact OE1-CZ 3.93Å; E118-R394 IonicContact OE1-NH1 2.65Å; E118-R394 PolarHBondContact OE1-NH1 3.43Å; E118-R394 IonicContact OE2-CZ 3.35Å; E118-R394 IonicContact OE2-NH1 3.34Å; E118-R394 PolarHBondContact OE2-NH1 2.96Å; E118-R394 IonicContact OE2-NH2 3.95Å; E118-R394 PolarHBondContact OE2-NH2 2.98Å
119D74.9Confident86.8Confident112 Ų11228.9 Ų28.960%0.59917%0.167SC*.THydrogen-bonded Turntrans-73.41.1176.2-38.9-49.5000113.3N117 A121N117-D119 PolarHBondContact ND2-OD2 3.36Å; N117-D119 PolarHBondContact O-N 2.99Å; N117-D119 WeakPolarHBondContact OD1-CB 3.47Å; N117-D119 PolarHBondContact OD1-N 3.32Å; D119-A121 PolarHBondContact O-N 3.5Å
120G76.6Confident86.7Confident44 Ų4432.2 Ų32.245%0.45418%0.181SC..SBendtrans76.3-4-177.800000115.4K116 N117 E118K116-G120 WeakPolarHBondContact CD-O 3.25Å; N117-G120 PolarHBondContact O-N 3.42Å; N117-G120 PolarHBondContact OD1-N 2.65Å; E118-G120 PolarHBondContact O-N 3.08Å
121A82.4Confident86.4Confident48 Ų4834.8 Ų34.840%0.39720%0.197SC..  trans-77.3137.3179.700000111.8K116 N117 D119 I123K116-A121 CarbonylContact C-O 3.46Å; K116-A121 VanDerWaalsContact CA-O 3.32Å; K116-A121 WeakPolarHBondContact CA-O 3.18Å; N117-A121 PolarHBondContact N-O 2.82Å; N117-A121 PolarHBondContact OD1-N 3.34Å; N117-A121 PolarHBondContact OD1-O 3.08Å; N117-A121 VanDerWaalsContact OD1-O 3.1Å; D119-A121 PolarHBondContact O-N 3.5Å; A121-I123 PolarHBondContact O-N 3.47Å
122V84.3Confident85.9Confident30 Ų3036.6 Ų36.618%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-71.5124.9176.5-1760000109.9A34 A89 P114 V115 K116 M124 F125A34-V122 HydrophobicContact CB-CB 4.42Å; A34-V122 HydrophobicContact CB-CG1 3.84Å; A89-V122 HydrophobicContact CB-CG2 3.56Å; P114-V122 HydrophobicContact CB-CG1 4.17Å; P114-V122 HydrophobicContact CB-CG2 4.13Å; V115-V122 WeakPolarHBondContact O-CA 3.43Å; K116-V122 HydrophobicContact CG-CG2 3.87Å; V122-M124 WeakPolarHBondContact CG1-O 3.35Å; V122-F125 HydrophobicContact CG1-CE1 4.12Å; V122-F125 HydrophobicContact CG1-CE2 4.27Å; V122-F125 HydrophobicContact CG1-CZ 3.94Å
123I84.9Confident84.5Confident21 Ų2144.4 Ų44.411%0.10825%0.246CC..EExtended strand (participates in β ladder)trans-90.8-41.8169.3-47.3-177.3000110.1N33 A34 V115 N117 A121 L385N33-I123 PolarHBondContact OD1-O 3.33Å; A34-I123 WeakPolarHBondContact CB-O 3.37Å; A34-I123 PolarHBondContact N-O 3.41Å; V115-I123 PolarHBondContact O-N 3.28Å; N117-I123 HydrophobicContact CB-CD1 3.93Å; N117-I123 HydrophobicContact CB-CG1 4.14Å; A121-I123 PolarHBondContact O-N 3.47Å; I123-L385 HydrophobicContact CD1-CD1 3.85Å; I123-L385 HydrophobicContact CD1-CD2 4.11Å
124M88.9Confident82.6Confident14 Ų1451.2 Ų51.27%0.06928%0.277CS..EExtended strand (participates in β ladder)trans-148.1160.8-169.1-58.7-165.2-17200112.7F14 L15 I31 A32 I42 V115 V122F14-M124 HydrophobicContact CZ-CE 4.49Å; L15-M124 HydrophobicContact CD1-CE 4.08Å; L15-M124 HydrophobicContact CD2-CE 3.89Å; L15-M124 HydrophobicContact CD2-SD 3.47Å; L15-M124 WeakPolarHBondContact CD2-SD 3.13Å; I31-M124 HydrophobicContact CG2-CB 4.22Å; I31-M124 HydrophobicContact CG2-SD 3.75Å; A32-M124 CarbonylContact O-C 3.58Å; A32-M124 WeakPolarHBondContact O-CA 3.47Å; A32-M124 VanDerWaalsContact O-CB 3.25Å; A32-M124 WeakPolarHBondContact O-CB 3.24Å; I42-M124 HydrophobicContact CD1-CE 3.92Å; I42-M124 HydrophobicContact CD1-SD 3.64Å; V115-M124 PolarHBondContact N-O 3.08Å; V115-M124 PolarHBondContact O-N 3.45Å; V122-M124 WeakPolarHBondContact CG1-O 3.35Å
125F91Very high79.9Confident6 Ų658.4 Ų58.43%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-113.4133.7167.2-59.5-84.4000109.6I31 A32 A34 L86 V112 P114 V122 L127I31-F125 WeakPolarHBondContact CA-O 3.39Å; A32-F125 PolarHBondContact N-O 2.99Å; A32-F125 PolarHBondContact O-N 2.82Å; A34-F125 HydrophobicContact CB-CD2 3.96Å; A34-F125 HydrophobicContact CB-CE2 3.47Å; A34-F125 VanDerWaalsContact CB-CE2 3.47Å; A34-F125 HydrophobicContact CB-CZ 4.27Å; L86-F125 HydrophobicContact CD2-CB 3.99Å; L86-F125 HydrophobicContact CD2-CD1 3.74Å; L86-F125 HydrophobicContact CD2-CD2 3.82Å; L86-F125 HydrophobicContact CD2-CE1 4.15Å; L86-F125 HydrophobicContact CD2-CE2 4.22Å; L86-F125 HydrophobicContact CD2-CG 3.57Å; L86-F125 HydrophobicContact CD2-CZ 4.39Å; L86-F125 WeakPolarHBondContact O-CZ 3.34Å; V112-F125 HydrophobicContact CG1-CD1 4.36Å; P114-F125 HydrophobicContact CB-CD1 3.94Å; P114-F125 HydrophobicContact CB-CE1 3.86Å; V122-F125 HydrophobicContact CG1-CE1 4.12Å; V122-F125 HydrophobicContact CG1-CE2 4.27Å; V122-F125 HydrophobicContact CG1-CZ 3.94Å; F125-L127 HydrophobicContact CB-CD1 3.8Å
126I92.1Very high77.2Confident11 Ų1163.7 Ų63.76%0.05633%0.334CS..EExtended strand (participates in β ladder)trans-99.6123164.6-57.7167.9000106I18 F22 F29 V113 V115I18-I126 HydrophobicContact CD1-CD1 4.36Å; I18-I126 HydrophobicContact CG2-CD1 3.78Å; F22-I126 HydrophobicContact CE1-CG2 3.96Å; F22-I126 HydrophobicContact CZ-CG2 4.22Å; F29-I126 HydrophobicContact CD2-CG2 4.34Å; V113-I126 HydrophobicContact CB-CB 4.39Å; V113-I126 PolarHBondContact N-O 3.06Å; V113-I126 PolarHBondContact O-N 3.47Å; V115-I126 HydrophobicContact CG2-CD1 3.67Å; V115-I126 HydrophobicContact CG2-CG1 3.89Å
127L92.8Very high74.8Confident2 Ų267.2 Ų67.21%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-110.3117.5171.3-66.479.1000107.5F29 I30 C64 L86 V110 D111 V112 F125 F129F29-L127 WeakPolarHBondContact CA-O 3.42Å; F29-L127 WeakPolarHBondContact CB-O 3.48Å; I30-L127 HydrophobicContact CD1-CB 4.44Å; I30-L127 HydrophobicContact CG1-CB 4.01Å; I30-L127 HydrophobicContact CG1-CD1 4.39Å; I30-L127 PolarHBondContact N-O 2.87Å; I30-L127 PolarHBondContact O-N 3.2Å; C64-L127 HydrophobicContact CB-CD1 4.25Å; C64-L127 WeakPolarHBondContact O-CD2 3.49Å; L86-L127 HydrophobicContact CD2-CD1 4.41Å; V110-L127 HydrophobicContact CG1-CB 4.5Å; V110-L127 HydrophobicContact CG1-CD2 4.19Å; D111-L127 WeakPolarHBondContact O-CA 3.21Å; V112-L127 HydrophobicContact CG1-CG 4.48Å; V112-L127 HydrophobicContact CG2-CD2 4.28Å; V112-L127 HydrophobicContact CG2-CG 4.3Å; F125-L127 HydrophobicContact CB-CD1 3.8Å; L127-F129 HydrophobicContact CB-CE2 3.81Å; L127-F129 HydrophobicContact CB-CZ 3.96Å; L127-F129 HydrophobicContact CD2-CZ 4.48Å; L127-F129 WeakPolarHBondContact O-CD2 3.2Å; L127-F129 VanDerWaalsContact O-CE2 3.3Å; L127-F129 WeakPolarHBondContact O-CE2 3.17Å
128N93.1Very high72.6Confident8 Ų873.3 Ų73.34%0.04339%0.392CS..EExtended strand (participates in β ladder)trans-104.9138.1177.4172.873000109.9K28 F29 D111K28-N128 WeakPolarHBondContact O-CA 3.25Å; K28-N128 PolarHBondContact O-OD1 3.33Å; F29-N128 HydrophobicContact CB-CB 4.42Å; D111-N128 HydrophobicContact CB-CB 4.23Å; D111-N128 PolarHBondContact N-O 3.49Å; D111-N128 PolarHBondContact O-N 2.86Å
129F92.6Very high70.9Confident6 Ų673.7 Ų73.73%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-121.1108.9-168.7-63.2-94000110.3K28 I30 F48 L51 F98 V110 L127K28-F129 HydrophobicContact CB-CB 4.48Å; K28-F129 PolarHBondContact O-N 2.91Å; I30-F129 HydrophobicContact CD1-CE2 4.02Å; I30-F129 HydrophobicContact CD1-CZ 4.01Å; I30-F129 HydrophobicContact CG1-CE2 4Å; I30-F129 HydrophobicContact CG1-CZ 4.46Å; I30-F129 HydrophobicContact CG2-CE2 4.26Å; F48-F129 AromaticContact CD2-CD2 3.56Å; F48-F129 HydrophobicContact CD2-CD2 3.56Å; F48-F129 AromaticContact CD2-CE2 3.75Å; F48-F129 HydrophobicContact CD2-CE2 3.75Å; F48-F129 HydrophobicContact CD2-CG 4.1Å; F48-F129 HydrophobicContact CD2-CZ 4.41Å; F48-F129 HydrophobicContact CE2-CD1 4.22Å; F48-F129 AromaticContact CE2-CD2 3.65Å; F48-F129 HydrophobicContact CE2-CD2 3.65Å; F48-F129 HydrophobicContact CE2-CE1 4.05Å; F48-F129 AromaticContact CE2-CE2 3.45Å; F48-F129 HydrophobicContact CE2-CE2 3.45Å; F48-F129 VanDerWaalsContact CE2-CE2 3.45Å; F48-F129 HydrophobicContact CE2-CG 4.05Å; F48-F129 AromaticContact CE2-CZ 3.68Å; F48-F129 HydrophobicContact CE2-CZ 3.68Å; F48-F129 HydrophobicContact CZ-CE2 4.46Å; F48-F129 HydrophobicContact CZ-CZ 4.48Å; L51-F129 HydrophobicContact CD2-CB 3.66Å; L51-F129 HydrophobicContact CD2-CG 4.46Å; F98-F129 AromaticContact CE2-CD1 3.89Å; F98-F129 HydrophobicContact CE2-CD1 3.89Å; F98-F129 AromaticContact CE2-CE1 3.72Å; F98-F129 HydrophobicContact CE2-CE1 3.72Å; F98-F129 HydrophobicContact CZ-CE1 4.25Å; V110-F129 HydrophobicContact CG1-CE1 4.23Å; V110-F129 HydrophobicContact CG2-CD1 3.91Å; V110-F129 HydrophobicContact CG2-CE1 3.87Å; L127-F129 HydrophobicContact CB-CE2 3.81Å; L127-F129 HydrophobicContact CB-CZ 3.96Å; L127-F129 HydrophobicContact CD2-CZ 4.48Å; L127-F129 WeakPolarHBondContact O-CD2 3.2Å; L127-F129 VanDerWaalsContact O-CE2 3.3Å; L127-F129 WeakPolarHBondContact O-CE2 3.17Å
130E90.9Very high68.9Low123 Ų12373.9 Ų73.958%0.57542%0.422SS*.EExtended strand (participates in β ladder)trans-109.2140178-167.4163.3-178.400110.1C108 L109C108-E130 CarbonylContact C-O 3.53Å; C108-E130 VanDerWaalsContact CA-O 3.29Å; C108-E130 WeakPolarHBondContact CA-O 3.47Å; C108-E130 PolarHBondContact SG-O 2.95Å; L109-E130 HydrophobicContact CB-CB 4.46Å; L109-E130 PolarHBondContact N-O 3.38Å; L109-E130 PolarHBondContact O-N 2.82Å
131V86.9Confident67.1Low56 Ų5677.8 Ų77.834%0.33944%0.439SS..EExtended strand (participates in β ladder)trans-92.1122.8-178.6179.90000109L51 F106 M133L51-V131 HydrophobicContact CD1-CG2 3.47Å; L51-V131 VanDerWaalsContact CD1-CG2 3.47Å; F106-V131 HydrophobicContact CD2-CG2 4.4Å; V131-M133 PolarHBondContact O-N 3.32Å
132V81.8Confident64.8Low53 Ų5380.1 Ų80.132%0.32146%0.458SS..  trans-82.7113.1-179.9-176.90000108.8L107 L109 E134L107-V132 HydrophobicContact CB-CB 4.36Å; L107-V132 HydrophobicContact CD2-CB 4.08Å; L107-V132 HydrophobicContact CD2-CG1 4.14Å; L107-V132 HydrophobicContact CG-CB 4.1Å; L107-V132 PolarHBondContact O-N 3.19Å; L109-V132 HydrophobicContact CB-CG2 4.13Å; V132-E134 PolarHBondContact O-N 2.72Å
133M63.4Low62.5Low164 Ų16486.7 Ų86.781%0.80849%0.486SS*.  trans-83.7103.6172.6-68.6-65.4-66.500108.8V131 K135V131-M133 PolarHBondContact O-N 3.32Å; M133-K135 PolarHBondContact O-N 2.96Å
134E50.6Low60.1Low161 Ų16191.7 Ų91.775%0.75251%0.513SS*.  trans-61128.9177-168.3164.4-138.700110.2V132V132-E134 PolarHBondContact O-N 2.72Å
135K33.6Very low57.6Low167 Ų16795.8 Ų95.873%0.72654%0.539SS*.  trans-128.6137.3-177.2-171.1-175.4172.5-171.30108.5M133M133-K135 PolarHBondContact O-N 2.96Å
136D30.2Very low54.9Low138 Ų138101.8 Ų101.874%0.73857%0.572SS**  trans73.386.3179.2-48.6-36.6000115
137M31.7Very low52.4Low174 Ų174109 Ų10986%0.85761%0.605SS**  trans-132101.1159.7-163.8164.778.100109.6
138V30.9Very low49.4Very low143 Ų143120.3 Ų120.387%0.86765%0.647SS**  trans-138.6122.5-171.8176.10000110.9
139G35.7Very low46.5Very low66 Ų66123.5 Ų123.568%0.6868%0.682SS**  trans85.9145.717600000114.5
140S32.7Very low43.9Very low117 Ų117128.8 Ų128.882%0.81872%0.717SS**  cis-160.7-171.6-4.7-70.30000108.1
141P38.8Very low41.5Very low126 Ų126128.6 Ų128.682%0.81873%0.726SS**  -123.9160.2-71.637.9-24.5000112.9
142A34.1Very low39.1Very low96 Ų96132 Ų13279%0.79375%0.747SS**  trans-152.3154.2164.600000112.3
143H34.9Very low36.6Very low168 Ų168133.8 Ų133.878%0.77876%0.763SS**  trans-26.6149.4169.7-74.5-93.7000117.7
144D35.8Very low35.1Very low126 Ų126136.7 Ų136.767%0.67477%0.765SS**  cis-153.9158.918.4-121.2-27.8000116.9
145T35.7Very low34.3Very low101 Ų101136.4 Ų136.462%0.6277%0.767SS**  trans24.5131.215757.60000124.1
146N34.2Very low34.2Very low132 Ų132132.6 Ų132.671%0.70677%0.767SS**  trans63.6125.1135-57.7-21.6000119.4
147H39.7Very low34.6Very low163 Ų163131.8 Ų131.876%0.75577%0.77SS**  cis-154.3140.633.4-98.2-60.5000115.5
148R30.2Very low34.4Very low238 Ų238127.5 Ų127.590%0.89877%0.77SS**  trans51.9105.3136.2-175.2174.8-81.5176.3-5.5119.8
149G32.4Very low34.2Very low75 Ų75131.5 Ų131.577%0.77377%0.769SS**  trans166.247.2152.800000122.3
150P37.7Very low33.9Very low118 Ų118132.8 Ų132.877%0.76677%0.774SS**  trans-114.4-172.7174.445.1-34.8000112.9
151P41.6Very low33.9Very low118 Ų118135.9 Ų135.977%0.76677%0.772SS**  -136.5155.3-66.740.2-24.6000114.8
152T35.6Very low33.4Very low127 Ų127135.2 Ų135.278%0.77977%0.766SS**  trans-143.8119.8159.539.70000107.3
153S29.8Very low33.2Very low92 Ų92140.5 Ų140.564%0.64377%0.771SS**  73.4153.864.180.60000113.9
154W31.5Very low32.9Very low224 Ų224142.2 Ų142.285%0.84877%0.771SS**  trans94.8115.2-179.4-61.989.3000119.3
155L33.9Very low32.6Very low155 Ų155143.2 Ų143.281%0.81278%0.775SS**  trans74105.8147.6-57.6172.3000121.5
156A31.1Very low32.3Very low87 Ų87146.8 Ų146.872%0.71978%0.782SS**  trans-88.7-177.3134.500000109.2
157P37.9Very low32.3Very low122 Ų122147.8 Ų147.879%0.79279%0.787SS**  cis-129.8160.2-10.738-22.5000114.8
158G27.5Very low32Very low83 Ų83146.1 Ų146.186%0.85679%0.79SS**  trans71.9133.1145.300000120.4
159R27.5Very low32Very low228 Ų228138.2 Ų138.286%0.8678%0.776SS**  trans-156.2117148.5-163.2161.4-174.2162.42.6111.9
160A30Very low31.9Very low93 Ų93142.6 Ų142.677%0.76978%0.781SS**  trans-67138.7166.100000110.1
161K33Very low31.5Very low182 Ų182144.8 Ų144.879%0.79179%0.785SS**  trans-121.387.2167.4-79.5-170176.4-179.70109.9
162T27.4Very low30.9Very low111 Ų111143 Ų14368%0.68178%0.781SS**  trans-57.3133.4160.251.60000109.8
163F30.5Very low30.5Very low208 Ų208144.6 Ų144.691%0.91278%0.784SS**  trans-105.4131.7148.7-102-93000108.3
164R28.2Very low30.5Very low204 Ų204147.1 Ų147.177%0.7780%0.796SS**  trans-109.9165.8-173.7-73.7-179.2162.9-168.3-4.2110.2
165L28.6Very low30.4Very low146 Ų146141 Ų14176%0.76479%0.793SS**  trans71.6144154.9-99.368.3000115.1
166K29.2Very low30.2Very low176 Ų176143.7 Ų143.777%0.76579%0.792SS**  cis-136159.23-55.9-179.6175.2178.30110.7
167L35.2Very low30.1Very low153 Ų153147 Ų14780%0.80179%0.792SS**  trans-64.6148.3146.7-92.872.4000108.9
168P32.8Very low29.7Very low128 Ų128146.5 Ų146.583%0.83179%0.792SS**  -104.1147.8121-16.332.3000110.7
169A31.7Very low29.9Very low73 Ų73147.9 Ų147.960%0.60379%0.789SS**  trans-108.3156.3171.100000110
170L29.2Very low30.1Very low166 Ų166143 Ų14387%0.86978%0.784SS**  trans72.8152.6157.7-67.1165.2000120
171L29.3Very low30.2Very low164 Ų164150.2 Ų150.286%0.85979%0.791SS**  trans82.1127.2159.1-73.1165000121.4
172A28.7Very low30.3Very low81 Ų81147.3 Ų147.367%0.66979%0.794SS**  trans70.799.3139.900000120.5
173L27.7Very low30.7Very low160 Ų160145.8 Ų145.884%0.83880%0.8SS**  59.1155.8113.1-68.4168.9000121.7
174T28.8Very low30.8Very low146 Ų146139.8 Ų139.890%0.89680%0.797SS**  trans76.5155.2169.672.20000117
175A29.7Very low31.1Very low95 Ų95135.4 Ų135.479%0.78580%0.804SS**  trans-97.9171.9-171.600000111.9
176R29.4Very low31.4Very low212 Ų212132.4 Ų132.480%0.881%0.809SS**  148.7127.1115.1-173.9170.1-179.8156.38.8114.3
177E29.3Very low31.6Very low156 Ų156128 Ų12873%0.72981%0.814SS**  trans46.1177.3153.8-64.5-176.2110.100121.8
178S30.4Very low31.5Very low111 Ų111126.2 Ų126.278%0.77682%0.82SS**  trans-105.8-178.9-162.455.50000114.6
179S31Very low31.6Very low113 Ų113123.6 Ų123.679%0.7982%0.817SS**  trans84.2153.9177.8-132.80000113.2
180V31.8Very low32.1Very low126 Ų126125 Ų12576%0.76483%0.829SS**  cis-135.515118.2177.30000111.3
181R32Very low32.4Very low243 Ų243123.6 Ų123.692%0.91783%0.829SS**  trans-103.2129159.3-174.9173.3-179.6142.2-0109.7
182S36.4Very low32.9Very low122 Ų122119.5 Ų119.585%0.85383%0.827SS**  trans-72.9148.2-170.5-174.50000114.6
183G34.5Very low33.1Very low78 Ų78120.5 Ų120.580%0.80484%0.835SS**  trans133.388.815700000116.5
184G32.5Very low33.4Very low82 Ų82119.1 Ų119.185%0.84583%0.833SS**  trans162.8133.717100000111.7
185A35.3Very low33.6Very low113 Ų113118.2 Ų118.293%0.93483%0.827SS**  trans-112.1147.9-166.500000114.5
186G33.9Very low34.2Very low83 Ų83119.4 Ų119.486%0.85682%0.824SS**  trans127.1130.7153.400000117.2
187G34Very low34.2Very low84 Ų84116.5 Ų116.587%0.86683%0.825SS**  trans100.4100.9159.300000117
188A34Very low34.8Very low114 Ų114114.6 Ų114.694%0.94282%0.824SS**  trans-79.4161.6172.900000112.9
189G34.7Very low34.8Very low74 Ų74116.9 Ų116.976%0.76383%0.827SS**  trans-161.4-25.4-177.100000121
190A40.6Very low35.2Very low103 Ų103119.1 Ų119.185%0.85183%0.829SS**  trans64.3161.9177.400000118.1
191P37.5Very low35.4Very low135 Ų135119.3 Ų119.388%0.87783%0.831SS**  trans-129.8177.5-16043.1-27.6000116.7
192G39.2Very low35.5Very low79 Ų79113.8 Ų113.881%0.81483%0.827SS**  trans-161.6138.7162.400000111.5
193A32Very low35.7Very low101 Ų101113 Ų11384%0.83583%0.827SS**  trans-153.6150.3-176.500000112.3
194V34.8Very low35.7Very low131 Ų131113.9 Ų113.979%0.79483%0.827SS**  trans-141.5139170.91790000108.7
195V31.9Very low35.9Very low127 Ų127115.3 Ų115.377%0.7782%0.821SS**  trans-134.2149.9170.4175.90000107
196V42.2Very low36Very low120 Ų120115.1 Ų115.173%0.72781%0.813SS**  trans-129.2120.7175.4-1800000108.8V198V196-V198 HydrophobicContact CG1-CG2 4.38Å
197D30.7Very low36Very low152 Ų152116.1 Ų116.181%0.81381%0.807SS**  trans-101.7157.5165.3-91.1-60.2000109.7
198V41.6Very low36Very low116 Ų116121.6 Ų121.670%0.70381%0.81SS**  trans-139.898.3173.3-177.90000110.2V196 L200V196-V198 HydrophobicContact CG1-CG2 4.38Å; V198-L200 HydrophobicContact CG1-CD1 4.01Å
199D29.4Very low35.7Very low158 Ų158121 Ų12185%0.84580%0.799SS**  trans-90.8146.4156.5-87.7-43.7000109.5
200L40.9Very low35.6Very low161 Ų161125.2 Ų125.284%0.84380%0.803SS**  trans-127.2142.7163.1-111.888.7000110.7V198V198-L200 HydrophobicContact CG1-CD1 4.01Å
201T34.5Very low35.1Very low130 Ų130124.3 Ų124.380%0.79880%0.796SS**  trans-107.4152.3-16549.30000113.6
202P34.4Very low34.8Very low127 Ų127125.5 Ų125.583%0.82579%0.794SS**  trans-88.6152.1156.635.2-30.9000111
203A41.5Very low34.2Very low105 Ų105128.8 Ų128.887%0.86879%0.793SS**  trans-107.9152.8174.500000111.8
204A33.5Very low34.1Very low96 Ų96131.7 Ų131.779%0.79379%0.789SS**  trans-93.3-165.7-179.100000110.2
205P38.1Very low33.8Very low112 Ų112130.5 Ų130.573%0.72778%0.782SS**  cis-143.1-169.322.744.9-24.8000116.9
206S35.4Very low33.5Very low110 Ų110130.6 Ų130.677%0.76978%0.783SS**  trans74.7147.4160.169.70000119
207S35.1Very low32.8Very low104 Ų104129 Ų12973%0.72778%0.783SS**  -180126.1-50.8420000109.5
208E33.7Very low32.7Very low199 Ų199130 Ų13093%0.9378%0.784SS**  -178.4169.2120.5-100.3-179.1160.700110.1
209S28.6Very low32Very low101 Ų101130.9 Ų130.971%0.70679%0.785SS**  trans-133.2153-169580000111.9
210L32.5Very low32Very low162 Ų162129.1 Ų129.185%0.84878%0.776SS**  178.9113.5120.7-94.1161.7000113.4
211A29.7Very low31.5Very low84 Ų84129.2 Ų129.269%0.69477%0.772SS**  43.9138.9128.400000124.2
212L30.9Very low31.4Very low160 Ų160129.2 Ų129.284%0.83877%0.771SS**  trans84.694.1136.9-114.461.8000121.7
213D27.5Very low31.3Very low148 Ų148127.8 Ų127.879%0.79177%0.77SS**  63.9170.3108.1-133.7-19.1000122.4
214E29.4Very low30.8Very low163 Ų163126.1 Ų126.176%0.76276%0.763SS**  trans74.695.5169.7-68.6-152.8103.500121.9
215V27.7Very low30.8Very low106 Ų106130.5 Ų130.564%0.64277%0.772SS**  67103.4102.9170.80000120.5
216T26.5Very low30.6Very low128 Ų128128.1 Ų128.179%0.78577%0.768SS**  trans72.7137.7141.660.20000124.1
217A27.2Very low30.7Very low88 Ų88128.8 Ų128.873%0.72777%0.77SS**  trans54.4124.1138.600000121.7
218M27.9Very low30.5Very low172 Ų172128.2 Ų128.285%0.84777%0.771SS**  -170.1158.797.5-166.754.671.600111.4
219D26.7Very low30.4Very low134 Ų134127.1 Ų127.172%0.71777%0.766SS**  trans-70.8166.9179.2-77-60.9000116.5
220N30.8Very low30.5Very low122 Ų122127.8 Ų127.865%0.65276%0.758SS**  trans103.5140.5130.3-96.4-41.8000123
221H30.7Very low30.6Very low163 Ų163127.5 Ų127.576%0.75575%0.745SS**  trans67.8143154-63.3-33.4000118.5
222V31.6Very low30.7Very low129 Ų129132.9 Ų132.978%0.78275%0.748SS**  cis-158.9159.2191000000113.1
223A32.4Very low30.7Very low98 Ų98129.6 Ų129.681%0.8174%0.744SS**  trans59.1147.8164.200000120.9
224G30.2Very low31Very low69 Ų69129.9 Ų129.971%0.71175%0.745SS**  cis135.3120.9-16.300000116
225L34Very low31.3Very low189 Ų189128.8 Ų128.899%0.9975%0.749SS**  trans-174.6156.6158-102.4156.2000110.3
226G34.8Very low31.6Very low62 Ų62126.8 Ų126.864%0.63975%0.749SS**  trans-153.1-143.7176.600000109.6
227P37Very low32Very low124 Ų124127.3 Ų127.381%0.80576%0.755SS**  cis-141.1173.5-25.241.8-25.6000114.9
228A29.8Very low32.4Very low92 Ų92126.3 Ų126.376%0.7675%0.754SS**  trans67.1165.214800000123.1
229E31.9Very low32.8Very low175 Ų175123.3 Ų123.382%0.81875%0.749SS**  trans69.8147.2168.2-62.8-161.3137.300118.5
230E31.2Very low33.3Very low116 Ų116122.7 Ų122.754%0.54275%0.753SS.*  cis-154.7160.8-1.8-129.5-159.5149.500114.5
231R33.5Very low34Very low155 Ų155123.2 Ų123.259%0.58576%0.763SS**  trans71.1114.1146.7-75174-176.4157.726.1125.3
232R32Very low34Very low198 Ų198126.8 Ų126.875%0.74777%0.769SS**  85.1111.7120.2-69.7171-174.8161.14.4122.3
233A30.9Very low34.1Very low91 Ų91125.9 Ų125.975%0.75277%0.769SS**  55.3142.4127.900000120.2
234L33.8Very low34.1Very low154 Ų154126 Ų12681%0.80677%0.77SS**  cis-166.2160.644.3-165.875.2000111
235V37.1Very low34.3Very low140 Ų140128.5 Ų128.585%0.84877%0.774SS**  trans67132.4171.5-1640000115.7
236G34.1Very low34.4Very low64 Ų64123.5 Ų123.566%0.6677%0.768SS**  cis174.3135.5-7.600000111
237P34Very low34.3Very low138 Ų138128.5 Ų128.590%0.89677%0.774SS**  trans-96.2140.4-173.735.3-33.5000114.2
238G36.4Very low34.2Very low68 Ų68129.8 Ų129.870%0.70177%0.774SS**  trans-117.8114.4162.300000110
239S36.9Very low34.4Very low108 Ų108130.8 Ų130.876%0.75577%0.772SS**  89.389.26768.50000112.8
240P35.8Very low34.1Very low122 Ų122127.3 Ų127.379%0.79277%0.768SS**PPolyproline II helixtrans-82.5131.7171.532.6-31.7000111.3
241P45.3Very low34.2Very low133 Ų133127.7 Ų127.786%0.86478%0.78SS**PPolyproline II helixtrans-75.2132.3172.730.1-32.6000111.1
242R32.3Very low33.9Very low237 Ų237131.8 Ų131.889%0.89480%0.796SS**PPolyproline II helixtrans-98.4167.1175-142.6175.6-177.9179-0.7109.6
243S33.6Very low33.7Very low110 Ų110125.9 Ų125.977%0.76979%0.789SS**  trans56.4107.7156.755.30000120
244A32.6Very low33.8Very low102 Ų102129.8 Ų129.884%0.84379%0.792SS**  trans-151.798.7140.400000110.5
245P34Very low33.5Very low120 Ų120127.2 Ų127.278%0.77979%0.787SS**  trans-92.898.5173.133.1-28.3000111.1
246G35.5Very low33.3Very low84 Ų84128.5 Ų128.587%0.86679%0.788SS**  trans-77.7136.6169.900000111.5
247Q32.3Very low33.3Very low167 Ų167132.8 Ų132.878%0.7880%0.796SS**  trans-112.2166.8-174-57.3-179.1-32.100112.7
248L34.8Very low33.5Very low152 Ų152130.5 Ų130.580%0.79678%0.781SS**  trans73.7151.4157.8-61.8147.2000117.3
249P33.7Very low33.1Very low112 Ų112134.6 Ų134.673%0.72779%0.787SS**  cis-132.4172.4-33.738-23.3000113.6
250S27.4Very low33Very low103 Ų103134.3 Ų134.372%0.7279%0.791SS**  trans-74169.2159.259.80000110.7
251P32.8Very low32.7Very low124 Ų124134.6 Ų134.681%0.80580%0.796SS**  -139.7150.991.836.3-23.1000114.9
252R27.1Very low32.2Very low240 Ų240131.9 Ų131.991%0.90679%0.792SS**  trans-81.7151.9152.2-69.8173.3165.5140.9-7.2108.3
253A28.1Very low32.2Very low74 Ų74125.7 Ų125.761%0.61279%0.785SS**  141.1169.4110.700000115.1
254H32.9Very low32Very low173 Ų173125.2 Ų125.280%0.80178%0.782SS**  trans70.582.5161.7-54.5-56.4000119
255S27.8Very low31.8Very low101 Ų101126.1 Ų126.171%0.70678%0.78SS**  5.8135122.557.20000118.9
256L32.8Very low31.5Very low167 Ų167124.6 Ų124.687%0.87477%0.773SS**  trans-168.394.5132.6-107.1166.3000113.3
257N33.2Very low31.1Very low154 Ų154128.3 Ų128.382%0.82477%0.772SS**  trans53.8179.5140.2-111.324.3000120.3
258P37.6Very low30.8Very low90 Ų90124.2 Ų124.258%0.58477%0.766SS**  trans-126.9-156-132.237.1-13.7000114.6
259D29.5Very low30.5Very low153 Ų153127.5 Ų127.582%0.81877%0.768SS**  trans76.189.9163-53.2-31.3000118.6
260A33.4Very low30.2Very low102 Ų102127 Ų12784%0.84376%0.763SS**  trans-156.4109146.200000113.3
261S29.4Very low30.2Very low128 Ų128130.1 Ų130.190%0.89576%0.759SS**  trans-30.2140168.751.80000119.8
262G36.3Very low30.1Very low77 Ų77128.8 Ų128.879%0.79475%0.753SS**  trans172.145.9170.500000114.5
263S31.4Very low30.2Very low106 Ų106126.8 Ų126.874%0.74175%0.745SS**  77110.487.8-1660000115.6
264S29.3Very low30.2Very low101 Ų101129.9 Ų129.971%0.70675%0.747SS**  trans85.8121.8144.2-54.60000122.2
265C28.3Very low29.9Very low120 Ų120126.5 Ų126.581%0.81174%0.743SS**  trans82.1140140.7-70.10000122.3
266S27.1Very low29.9Very low88 Ų88127.6 Ų127.662%0.61575%0.749SS**  cis178.6140.8-34.838.80000111.3
267L28.5Very low29.7Very low163 Ų163124.1 Ų124.185%0.85375%0.745SS**  trans62.1130.1159.2-84.574.7000117.2
268A26Very low29.4Very low80 Ų80122.2 Ų122.266%0.66174%0.743SS**  76.915173.600000113.7
269R27.5Very low29Very low222 Ų222124 Ų12484%0.83875%0.752SS**  cis-160.8153.914.5-147.1176.7-154.2166.78.3113
270T27.6Very low29Very low100 Ų100127.4 Ų127.461%0.61375%0.753SS**  trans59.7125.4146.539.20000125.1
271R28.5Very low28.8Very low170 Ų170131.1 Ų131.164%0.64275%0.746SS**  68.2151.6127.5-70.9178.3175.4169-2.8120.6Q61Q61-R271 VanDerWaalsContact OE1-CZ 3.31Å
272S29Very low28.8Very low96 Ų96129 Ų12967%0.67174%0.736SS**  cis-171.6160.6-16.851.80000114.5
273R31.1Very low28.3Very low197 Ų197131.2 Ų131.274%0.74374%0.74SS**  trans80.6108145.2-84.2-165.6142-165.5-28.4122.5
274E27.9Very low28.3Very low140 Ų140130.2 Ų130.265%0.65473%0.732SS**  73.7129.4112.1-77.2168.4-140.600123.9
275S26.6Very low28.5Very low102 Ų102130.4 Ų130.471%0.71374%0.74SS**  90.5108.5128.1-168.20000121.8
276C26.5Very low28.7Very low124 Ų124131.4 Ų131.484%0.83874%0.737SS**  trans58.9104.8136.7-620000121.6
277A28.6Very low29Very low94 Ų94134.3 Ų134.378%0.77775%0.746SS**  trans-146.6120.3138.400000110.4V279A277-V279 PolarHBondContact O-N 2.81Å
278S26.8Very low29.4Very low113 Ų113134.4 Ų134.479%0.7975%0.745SS**  trans-84.6100.117963.70000110.9R280S278-R280 PolarHBondContact O-N 2.85Å
279V29.4Very low29.7Very low128 Ų128138.5 Ų138.578%0.77675%0.751SS**  trans-72.194175.3-177.40000109.8A277 R281A277-V279 PolarHBondContact O-N 2.81Å; V279-R281 PolarHBondContact O-N 3.33Å
280R29.9Very low29.9Very low224 Ų224132 Ų13285%0.84575%0.745SS**  trans-62.7120.6162.3-71.6-175-179.9-177.30.8107.8S278 A282S278-R280 PolarHBondContact O-N 2.85Å; R280-A282 VanDerWaalsContact C-N 3.31Å; R280-A282 PolarHBondContact O-N 2.88Å
281R30.1Very low30.1Very low180 Ų180136.4 Ų136.468%0.67976%0.761SS**  trans-71.187.5171.7-176.3-177.9-65.1152.3-0.7109.1M1 V279 S283M1-R281 PolarHBondContact SD-NH2 3.25Å; V279-R281 PolarHBondContact O-N 3.33Å; R281-S283 PolarHBondContact O-N 2.84Å
282A29.5Very low30.2Very low84 Ų84139.4 Ų139.469%0.69477%0.772SS**  trans-62.2128.7166.100000108.8R280R280-A282 VanDerWaalsContact C-N 3.31Å; R280-A282 PolarHBondContact O-N 2.88Å
283S25.6Very low30.2Very low124 Ų124140 Ų14087%0.86778%0.783SS**  trans-113.773.9173.9176.10000108.1R281R281-S283 PolarHBondContact O-N 2.84Å
284S31.4Very low30.2Very low84 Ų84134.3 Ų134.359%0.58779%0.786SS**  trans-118.6122175.246.80000109.3D286S284-D286 VanDerWaalsContact C-N 3.3Å; S284-D286 PolarHBondContact O-N 1.9Å
285A33.1Very low30.5Very low105 Ų105134.5 Ų134.587%0.86880%0.797SS**  trans-95.461.7170.700000109.2
286D33Very low30.7Very low141 Ų141137.3 Ų137.375%0.75480%0.803SS**  trans-145.785.9-177.2-78-58.9000109.3S284S284-D286 VanDerWaalsContact C-N 3.3Å; S284-D286 PolarHBondContact O-N 1.9Å
287D33.4Very low31.2Very low149 Ų149137 Ų13780%0.79780%0.799SS**  trans-157.941.1179.8-127.7-22.9000112.5
288I36.1Very low31.5Very low165 Ų165138.1 Ų138.185%0.84680%0.798SS**SBendtrans-109.7-19.4-174.9-71.2179.5000113.3
289E31.8Very low32.1Very low166 Ų166138.4 Ų138.478%0.77680%0.797SS**SBendtrans-84.2-14.1-171.1-138.565-128.600114.8M291E289-M291 PolarHBondContact O-N 2.8Å
290A33.1Very low32.3Very low87 Ų87137.7 Ų137.772%0.71980%0.795SS**SBendtrans-83.6-6.7-15900000117.3
291M31.5Very low32.4Very low191 Ų191137.4 Ų137.494%0.94179%0.794SS**  trans-108.351.8-177.3-73.7-144.5-64.200114E289E289-M291 PolarHBondContact O-N 2.8Å
292R29Very low32.7Very low233 Ų233137.4 Ų137.488%0.87980%0.802SS**SBendtrans-131.225.5-178.8-141.2177.6-171.1172.23.2117.1
293A30.3Very low33Very low108 Ų108137.9 Ų137.989%0.89381%0.805SS**  trans-151.9135.6164.200000111.7
294G31.3Very low33.4Very low79 Ų79136.9 Ų136.981%0.81480%0.799SS**  trans146.1110.8175.800000113.3
295V33Very low33.5Very low144 Ų144139.1 Ų139.187%0.87381%0.809SS**  trans-109.9139.2-174.9174.30000110.8
296L31.7Very low33.4Very low161 Ų161137.9 Ų137.984%0.84381%0.807SS**  trans-72.1145.8174.4-84.984.6000113
297P37.1Very low33.3Very low117 Ų117135.7 Ų135.776%0.7681%0.808SS**  trans-121166133.8-2.824.6000114.1
298P34.2Very low33.3Very low117 Ų117136.3 Ų136.376%0.7681%0.808SS**  trans-105.6166.4-168.340.1-36000116.4
299P39.3Very low33.2Very low119 Ų119137 Ų13777%0.77381%0.807SS**  trans-91.1154.2175.436.5-35.6000114
300P34.7Very low33.4Very low113 Ų113134 Ų13473%0.73480%0.803SS**  -158.2146.8119.536.3-16.5000119.6
301R31.7Very low33.2Very low218 Ų218137.5 Ų137.582%0.82381%0.808SS**  trans63.1132.2134.8-66.1175.8177.6164.10.2124.3
302H35.5Very low33Very low181 Ų181139.4 Ų139.484%0.83881%0.805SS**  trans28.2146.8142-42.3-68.7000121.4
303A35.6Very low32.8Very low93 Ų93134.2 Ų134.277%0.76980%0.804SS**  cis-165.1-178.83800000115.4
304S35.3Very low32.7Very low104 Ų104132.2 Ų132.273%0.72779%0.794SS**  trans-34.4160.3169.357.10000119
305T33.7Very low32.5Very low130 Ų130136.5 Ų136.580%0.79880%0.797SS**  cis-166.1148.547.643.70000115.2
306G30.2Very low32.4Very low80 Ų80137.2 Ų137.283%0.82580%0.795SS**  trans74.3159.6149.300000119.5
307A32.1Very low32.3Very low95 Ų95137.6 Ų137.679%0.78580%0.798SS**  cis-163.5161.7-12.300000112.5
308M32.7Very low31.8Very low162 Ų162136.7 Ų136.780%0.79880%0.795SS**  trans56.3101.2158.7-65.8-63.5-178.100121.6
309H34Very low31.6Very low179 Ų179137.5 Ų137.583%0.82980%0.798SS**  173.4155100.5-98.1-75.4000112.4
310P35.6Very low31.2Very low104 Ų104135.9 Ų135.968%0.67579%0.789SS**  trans-109.1151.2-17738.9-31.4000114.9
311L28.4Very low31Very low160 Ų160138.2 Ų138.284%0.83880%0.796SS**  trans151.4142139.3-84.5159.9000113.4
312R27.1Very low31Very low231 Ų231132.3 Ų132.387%0.87279%0.788SS**  trans55.4104.9157.8-72.6-176.4171.3172.6-2.1120.5
313S26Very low30.9Very low124 Ų124128.8 Ų128.887%0.86778%0.775SS**  54.7107.5114.4178.40000120.3
314G26.9Very low30.9Very low66 Ų66132.8 Ų132.868%0.6878%0.783SS**  116.9139.5129.900000116.4
315L28.4Very low31Very low168 Ų168134.3 Ų134.388%0.8879%0.787SS**  trans57.7107.1165.1-55.4170.5000116.4
316L29.7Very low31Very low159 Ų159137.3 Ų137.383%0.83278%0.784SS**  167.398.9113.9-87.9166.6000111.6
317N29.6Very low31.1Very low169 Ų169143.8 Ų143.890%0.90479%0.785SS**  trans-16065.8134.9-109.8-0.6000108.1
318S26.5Very low31.2Very low98 Ų98150.5 Ų150.569%0.68579%0.79SS**  trans-113.476.4-179.2172.20000109.2S320S318-S320 VanDerWaalsContact C-N 3.31Å; S318-S320 PolarHBondContact O-N 2.83Å
319T31.9Very low31Very low135 Ų135148.4 Ų148.483%0.82879%0.787SS**  trans-71.889.1166.847.50000108.6D321T319-D321 PolarHBondContact O-N 2.86Å
320S29.5Very low30.9Very low84 Ų84147.4 Ų147.459%0.58779%0.786SS**  trans-79.1108.1-179.760.90000110.8S318 S322S318-S320 VanDerWaalsContact C-N 3.31Å; S318-S320 PolarHBondContact O-N 2.83Å; S320-S322 PolarHBondContact O-N 3.02Å
321D31.2Very low30.7Very low162 Ų162147.7 Ų147.787%0.86679%0.79SS**  trans-70.279.1168-99.1-53.5000110.7T319T319-D321 PolarHBondContact O-N 2.86Å
322S30.5Very low30.6Very low94 Ų94150.4 Ų150.466%0.65780%0.795SS**  trans-104.223.5-174.5-630000113.3S320S320-S322 PolarHBondContact O-N 3.02Å
323D33.8Very low31.1Very low108 Ų108146.4 Ų146.458%0.57879%0.79SS**  trans-1050.2-175.4-107.2-52.8000115.3V325 R326D323-V325 PolarHBondContact O-N 2.88Å; D323-R326 PolarHBondContact O-N 3.48Å
324L35.3Very low31.2Very low176 Ų176146.1 Ų146.192%0.92179%0.785SS**THydrogen-bonded Turntrans-77.431.1177.9-90169.1000115.1
325V38.5Very low31.5Very low137 Ų137151.9 Ų151.983%0.8379%0.794SS**THydrogen-bonded Turntrans-120.2-2.4174.3-1680000112.1D323D323-V325 PolarHBondContact O-N 2.88Å
326R33.4Very low31.8Very low192 Ų192151.2 Ų151.273%0.72579%0.79SS**SBendtrans-95.7-4.1-170.2-127.3171.2-173.6154.4-0117.3D323D323-R326 PolarHBondContact O-N 3.48Å
327Y32.1Very low31.9Very low217 Ų217149 Ų14985%0.85178%0.783SS**  trans-112.762.4-176.6-81.4-80.7000114.3
328R33.4Very low32.2Very low235 Ų235148.3 Ų148.389%0.88778%0.779SS**  trans-140.748165.7-78.4-165.2177160.92.3113.2
329T30.2Very low32.3Very low118 Ų118150.1 Ų150.172%0.72478%0.781SS**  trans-129.515-174.142.80000115.8
330I30.7Very low32.2Very low158 Ų158153.4 Ų153.481%0.8178%0.784SS**  trans-126.482.8167.1-55.988.6000110.6
331S31.2Very low32.3Very low110 Ų110154.8 Ų154.877%0.76979%0.789SS**  trans-161.536.1162.371.60000113.4I333S331-I333 PolarHBondContact O-N 3.38Å
332K27.8Very low32.2Very low217 Ų217154.9 Ų154.994%0.94379%0.789SS**  trans-85.389.9170.4-85-171.5174.8-179.60110.3
333I35.7Very low32.1Very low147 Ų147158.5 Ų158.575%0.75480%0.8SS**  trans-117126163-61.3176.8000106.7S331 Q335S331-I333 PolarHBondContact O-N 3.38Å; I333-Q335 PolarHBondContact O-N 3.37Å
334P28.3Very low32Very low119 Ų119162.8 Ų162.877%0.77381%0.814SS**  trans-74112.5-177.229.3-33.2000110.3I336P334-I336 PolarHBondContact O-N 3.48Å
335Q34.9Very low31.7Very low186 Ų186156.9 Ų156.987%0.86980%0.795SS**  trans-81.2112.8166.7-73.3-161.5-14.800109.8I333 T337I333-Q335 PolarHBondContact O-N 3.37Å; Q335-T337 PolarHBondContact O-N 3.49Å
336I34Very low31.2Very low154 Ų154157.9 Ų157.979%0.7980%0.796SS**  trans-62.4120.6170-67.7165.7000108.4P334 L338P334-I336 PolarHBondContact O-N 3.48Å; I336-L338 PolarHBondContact O-N 3.26Å
337T32.3Very low31.2Very low114 Ų114154.4 Ų154.470%0.69980%0.798SS**  trans-77.597.7176.349.40000110.3Q335 N339Q335-T337 PolarHBondContact O-N 3.49Å; T337-N339 PolarHBondContact O-N 2.97Å
338L35Very low31Very low153 Ų153153.6 Ų153.680%0.80180%0.799SS**  trans-74.7100161.5-82.6172.3000109.1I336 F340I336-L338 PolarHBondContact O-N 3.26Å; L338-F340 PolarHBondContact O-N 3.49Å
339N29.6Very low30.9Very low136 Ų136150.5 Ų150.573%0.72780%0.799SS**  trans-69.1110.7166.5-68.8-25.9000108.5T337 V341T337-N339 PolarHBondContact O-N 2.97Å; N339-V341 PolarHBondContact O-N 2.97Å
340F29.3Very low31Very low204 Ų204149 Ų14990%0.89580%0.799SS**  trans-73.6118.8158.5-102-93000108.2L338L338-F340 PolarHBondContact O-N 3.49Å
341V31.6Very low31Very low114 Ų114146.9 Ų146.969%0.69180%0.798SS**  trans-90.1127.7177173.40000108.3N339 L343N339-V341 PolarHBondContact O-N 2.97Å; V341-L343 PolarHBondContact O-N 3.28Å; V341-L343 VanDerWaalsContact O-N 3.14Å
342D28.9Very low31.5Very low163 Ų163146.7 Ų146.787%0.87279%0.794SS**  trans-63.2110.1167.3-90.5-50.4000109.6K344D342-K344 PolarHBondContact O-N 2.98Å
343L28.6Very low31.7Very low171 Ų171142.6 Ų142.690%0.89579%0.788SS**  trans-95.279.1175.5-164.477.8000109.9V341V341-L343 PolarHBondContact O-N 3.28Å; V341-L343 VanDerWaalsContact O-N 3.14Å
344K31.9Very low31.6Very low198 Ų198140 Ų14086%0.86178%0.783SS**  trans-93119.2169.8-168.6174.7-177.9-178.80109.8D342D342-K344 PolarHBondContact O-N 2.98Å
345G28.5Very low31.9Very low52 Ų52139.6 Ų139.654%0.53677%0.774SS.*  trans-69.3141.4176.100000112.8
346D27.6Very low31.8Very low157 Ų157140.2 Ų140.284%0.8477%0.769SS**  150.9122.3123.5-75.5-9.2000111.9
347P33Very low31.7Very low119 Ų119140.4 Ų140.477%0.77377%0.766SS**  trans-129.9106.5159.333.9-17.9000113.3
348F29.3Very low31.5Very low200 Ų200141.6 Ų141.688%0.87777%0.767SS**  trans39.5128.8141.6-72.2-89.4000122
349L29.7Very low31.3Very low170 Ų170141.9 Ų141.989%0.8977%0.768SS**  trans-121.5147.7148.9-79.9173.8000111.5
350A33.4Very low31.4Very low86 Ų86139.8 Ų139.871%0.71177%0.769SS**  trans70.499.9155.300000121.8
351S31.4Very low31.5Very low114 Ų114136.1 Ų136.180%0.79777%0.765SS**  89.5164.9120.492.10000118.7
352P40Very low31.3Very low106 Ų106140.4 Ų140.469%0.68878%0.775SS**  -142.1-156.4-115.637.9-12.4000116.1
353T33.3Very low31.5Very low131 Ų131141.2 Ų141.280%0.80478%0.777SS**  trans80.7146.217174.50000117.5
354S32.8Very low31.7Very low94 Ų94141.3 Ų141.366%0.65777%0.77SS**  cis-161.3177.4-27.863.60000111.2
355D34Very low31.8Very low109 Ų109140 Ų14058%0.58377%0.768SS**  trans69.298.3158.3-67.8-77.9000122.4
356R33.1Very low32.2Very low200 Ų200148.7 Ų148.776%0.75578%0.784SS**  83.1100.6114.8-76.2-176.6160115.5-10.1123.8
357E31.5Very low32.8Very low158 Ų158145.9 Ų145.974%0.73877%0.773SS**  91.2156.8101.7-148.4165.2-167.400121
358I29.9Very low33.4Very low139 Ų139146.9 Ų146.971%0.71377%0.767SS**  trans92.686.5163.8-50.6-172000119.7
359I30.7Very low34Very low159 Ų159141.7 Ų141.782%0.81575%0.748SS**  trans82.3137.8130.2-66.1178.1000122.9
360A30.6Very low34.7Very low92 Ų92137.9 Ų137.976%0.7673%0.732SS**  trans88.4130.4159.800000119.9
361P30.7Very low35.5Very low126 Ų126136.9 Ų136.982%0.81872%0.717SS**  trans-99.2158.9-173.638.9-36000114.5
362K27.9Very low36.2Very low205 Ų205137 Ų13789%0.89171%0.705SS**  trans-145.7116.9166.4-118.9169.5-173.6167.30113.5K364K362-K364 PolarHBondContact O-N 3.01Å
363I33.4Very low36.3Very low179 Ų179138.8 Ų138.892%0.91870%0.702SS**  trans-77101.8178.1-60.5162.6000109.1
364K32.4Very low37.2Very low173 Ų173133.6 Ų133.675%0.75267%0.67SS**  trans-156.641.3177.3-151.1-166.8171.1-175.70116.9K362K362-K364 PolarHBondContact O-N 3.01Å
365E35.3Very low37.8Very low172 Ų172132.3 Ų132.380%0.80466%0.658SS**  trans-111.5-15.5-175-65.2-170.214300116.3T367 N369E365-T367 PolarHBondContact O-N 3.28Å; E365-N369 PolarHBondContact O-OD1 3.2Å
366R36.3Very low38.5Very low234 Ų234133.2 Ų133.288%0.88366%0.659SS**SBendtrans-83.6-5.5-170.9-150.3178.1-178.3100.8-0.1115.8
367T40.7Very low39.2Very low97 Ų97126.9 Ų126.960%0.59564%0.642SS**SBendtrans-104.7-19.5-174.647.40000114.5E365 V370 T371E365-T367 PolarHBondContact O-N 3.28Å; T367-V370 PolarHBondContact O-N 3.35Å; T367-T371 PolarHBondContact O-OG1 2.97Å
368H44Very low39.8Very low140 Ų140122.4 Ų122.465%0.64862%0.623SS**Hα-helixtrans-73.5-31.8-171.3-139.8-91.4000113.5V370 T371 E372H368-V370 PolarHBondContact O-N 3.03Å; H368-T371 PolarHBondContact O-N 3.21Å; H368-T371 PolarHBondContact O-OG1 3.46Å; H368-E372 PolarHBondContact O-N 3.05Å
369N41.8Very low40.6Very low92 Ų92120.2 Ų120.249%0.49262%0.62SS.*Hα-helixtrans-71.8-17.2-177.6-31.769.3000112.6E365E365-N369 PolarHBondContact O-OD1 3.2Å
370V45.2Very low41.3Very low89 Ų89118.1 Ų118.154%0.53961%0.61SS.*Hα-helixtrans-82.3-45.3178.3-177.60000109.9T367 H368 K373 V374T367-V370 PolarHBondContact O-N 3.35Å; H368-V370 PolarHBondContact O-N 3.03Å; V370-K373 PolarHBondContact O-N 3.09Å; V370-V374 WeakPolarHBondContact O-CG2 3.45Å; V370-V374 PolarHBondContact O-N 3.36Å
371T50.1Low41.8Very low65 Ų65115.3 Ų115.340%0.39959%0.59SS.*Hα-helixtrans-57.9-48.5172.68.90000111T367 H368 K373 V374 T375T367-T371 PolarHBondContact O-OG1 2.97Å; H368-T371 PolarHBondContact O-N 3.21Å; H368-T371 PolarHBondContact O-OG1 3.46Å; T371-K373 VanDerWaalsContact C-N 3.32Å; T371-K373 PolarHBondContact O-N 2.98Å; T371-V374 CarbonylContact O-C 3.29Å; T371-V374 PolarHBondContact O-N 2.88Å; T371-T375 PolarHBondContact O-N 3.36Å; T371-T375 PolarHBondContact O-OG1 3.17Å
372E45.5Very low42.2Very low116 Ų116112.9 Ų112.954%0.54258%0.58SS.*Hα-helixtrans-60.5-37.4-177.2-169.9172.7-132.100113.6H368 T375 Q376H368-E372 PolarHBondContact O-N 3.05Å; E372-T375 WeakPolarHBondContact CA-OG1 3.35Å; E372-T375 PolarHBondContact O-OG1 2.95Å; E372-Q376 WeakPolarHBondContact O-CG 3.5Å; E372-Q376 PolarHBondContact O-N 3.29Å
373K43.8Very low42.9Very low144 Ų144110.3 Ų110.363%0.62658%0.576SS**Hα-helixtrans-77.3-27175.2-70.7-174.8178.1-177.10113.2V370 T371 V377V370-K373 PolarHBondContact O-N 3.09Å; T371-K373 VanDerWaalsContact C-N 3.32Å; T371-K373 PolarHBondContact O-N 2.98Å; K373-V377 WeakPolarHBondContact O-CG2 3.43Å; K373-V377 PolarHBondContact O-N 3.34Å
374V50.5Low43.6Very low23 Ų23105.3 Ų105.314%0.13955%0.554CS.*Hα-helixtrans-72.2-44170.4170.30000110.2V370 T371 Q376 V377 L378V370-V374 WeakPolarHBondContact O-CG2 3.45Å; V370-V374 PolarHBondContact O-N 3.36Å; T371-V374 CarbonylContact O-C 3.29Å; T371-V374 PolarHBondContact O-N 2.88Å; V374-Q376 VanDerWaalsContact C-N 3.34Å; V374-Q376 PolarHBondContact O-N 3.15Å; V374-V377 CarbonylContact O-C 3.51Å; V374-V377 WeakPolarHBondContact O-CA 3.45Å; V374-V377 WeakPolarHBondContact O-CB 3.3Å; V374-V377 PolarHBondContact O-N 3.37Å; V374-L378 HydrophobicContact CG1-CD1 3.96Å; V374-L378 HydrophobicContact CG1-CG 4.49Å; V374-L378 WeakPolarHBondContact O-CG 3.32Å; V374-L378 PolarHBondContact O-N 2.87Å
375T47.3Very low44.1Very low66 Ų6698 Ų9841%0.40552%0.523SS..Hα-helixtrans-64.4-35174.953.90000112T371 E372 V377 L378 S379T371-T375 PolarHBondContact O-N 3.36Å; T371-T375 PolarHBondContact O-OG1 3.17Å; E372-T375 WeakPolarHBondContact CA-OG1 3.35Å; E372-T375 PolarHBondContact O-OG1 2.95Å; T375-V377 VanDerWaalsContact C-N 3.28Å; T375-V377 PolarHBondContact O-N 3.18Å; T375-L378 CarbonylContact O-C 3.59Å; T375-L378 PolarHBondContact O-N 2.94Å; T375-L378 VanDerWaalsContact O-N 3.12Å; T375-S379 WeakPolarHBondContact O-CB 3.42Å; T375-S379 PolarHBondContact O-N 3.29Å; T375-S379 PolarHBondContact O-OG 3.28Å
376Q48.1Very low44.4Very low128 Ų12891.7 Ų91.760%0.59850%0.497SS*.Hα-helixtrans-59.3-36.3168.2-81.9-172.9-14.800113.2E372 V374 L378 L380E372-Q376 WeakPolarHBondContact O-CG 3.5Å; E372-Q376 PolarHBondContact O-N 3.29Å; V374-Q376 VanDerWaalsContact C-N 3.34Å; V374-Q376 PolarHBondContact O-N 3.15Å; Q376-L378 VanDerWaalsContact C-N 3.33Å; Q376-L380 VanDerWaalsContact O-CD1 3.29Å; Q376-L380 WeakPolarHBondContact O-CD1 3.38Å
377V47.2Very low44.5Very low67 Ų6785.2 Ų85.241%0.40648%0.476SS..Hα-helixtrans-73.4-25.4176.11730000112.4K373 V374 T375K373-V377 WeakPolarHBondContact O-CG2 3.43Å; K373-V377 PolarHBondContact O-N 3.34Å; V374-V377 CarbonylContact O-C 3.51Å; V374-V377 WeakPolarHBondContact O-CA 3.45Å; V374-V377 WeakPolarHBondContact O-CB 3.3Å; V374-V377 PolarHBondContact O-N 3.37Å; T375-V377 VanDerWaalsContact C-N 3.28Å; T375-V377 PolarHBondContact O-N 3.18Å
378L45.1Very low44.1Very low65 Ų6590.6 Ų90.634%0.3449%0.487SS..Hα-helixtrans-85.5-35.2176-65.4169.8000113E91 V113 V374 T375 Q376 L380 G381E91-L378 VanDerWaalsContact OE2-CD1 3.25Å; E91-L378 WeakPolarHBondContact OE2-CD1 3.49Å; V113-L378 HydrophobicContact CG1-CD2 3.63Å; V374-L378 HydrophobicContact CG1-CD1 3.96Å; V374-L378 HydrophobicContact CG1-CG 4.49Å; V374-L378 WeakPolarHBondContact O-CG 3.32Å; V374-L378 PolarHBondContact O-N 2.87Å; T375-L378 CarbonylContact O-C 3.59Å; T375-L378 PolarHBondContact O-N 2.94Å; T375-L378 VanDerWaalsContact O-N 3.12Å; Q376-L378 VanDerWaalsContact C-N 3.33Å; L378-L380 PolarHBondContact O-N 2.89Å; L378-G381 PolarHBondContact O-N 3.18Å
379S45.8Very low43.5Very low92 Ų9290 Ų9064%0.64348%0.483SS*.Hα-helixtrans-65.1-17.7174.5-64.80000113.1T375 G381T375-S379 WeakPolarHBondContact O-CB 3.42Å; T375-S379 PolarHBondContact O-N 3.29Å; T375-S379 PolarHBondContact O-OG 3.28Å; S379-G381 PolarHBondContact O-N 3.1Å
380L45.5Very low43.4Very low116 Ų11694.7 Ų94.761%0.60751%0.507SS*.G310 helixtrans-65.5-9.5166.1-102.796.8000113.7Q376 L378 A382 V384Q376-L380 VanDerWaalsContact O-CD1 3.29Å; Q376-L380 WeakPolarHBondContact O-CD1 3.38Å; L378-L380 PolarHBondContact O-N 2.89Å; L380-A382 PolarHBondContact O-N 2.89Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å
381G40.6Very low42.8Very low33 Ų3395.6 Ų95.634%0.3451%0.505SS..G310 helixtrans-68.4-14.8-178.500000115.5L378 S379L378-G381 PolarHBondContact O-N 3.18Å; S379-G381 PolarHBondContact O-N 3.1Å
382A39.8Very low42.6Very low74 Ų7496.1 Ų96.161%0.61252%0.516SS*.G310 helixtrans-77.1-19.1-173.700000115.3L380L380-A382 PolarHBondContact O-N 2.89Å
383D41.6Very low42.8Very low151 Ų15192.9 Ų92.981%0.80751%0.505SS*.G310 helixtrans-108.86.7-167.9-79.3-36.5000114.9
384V48.2Very low43.3Very low74 Ų7493.9 Ų93.945%0.44851%0.505SS..SBendtrans-117.7-18.8-151.1-175.60000116.2F14 L380F14-V384 HydrophobicContact CB-CG1 4.44Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å
385L44.1Very low43.8Very low21 Ų2195.8 Ų95.811%0.1151%0.514CS..  trans-144.978.4-158.2-85.2165.3000116.3F14 N117 E118 I123F14-L385 HydrophobicContact CD1-CD2 4.05Å; F14-L385 HydrophobicContact CE1-CD2 3.74Å; F14-L385 HydrophobicContact CZ-CD2 4.44Å; N117-L385 HydrophobicContact CB-CB 3.88Å; N117-L385 HydrophobicContact CB-CD1 4.03Å; E118-L385 WeakPolarHBondContact CB-O 3.32Å; E118-L385 HydrophobicContact CG-CB 4.43Å; E118-L385 VanDerWaalsContact CG-O 3.3Å; E118-L385 WeakPolarHBondContact CG-O 3.4Å; E118-L385 VanDerWaalsContact OE1-C 3.27Å; E118-L385 PolarHBondContact OE1-N 3.36Å; E118-L385 VanDerWaalsContact OE1-N 3.08Å; I123-L385 HydrophobicContact CD1-CD1 3.85Å; I123-L385 HydrophobicContact CD1-CD2 4.11Å
386P41.3Very low44.6Very low38 Ų3898.4 Ų98.425%0.24752%0.521CS..  trans-82.7163.6166.233.6-34.1000113.7Q11 E118Q11-P386 PolarHBondContact NE2-O 2.89Å; E118-P386 WeakPolarHBondContact OE1-CD 3.46Å
387E37.8Very low45.6Very low98 Ų98103.8 Ų103.846%0.45854%0.536SS..  trans-48.4166.2-167.8-65.7-17688.600119.2Q11 K389Q11-E387 PolarHBondContact NE2-O 3.25Å; E387-K389 PolarHBondContact O-N 2.88Å; E387-K389 IonicContact OE1-NZ 3.68Å; E387-K389 IonicContact OE2-NZ 3.76Å
388Y33.7Very low47.2Very low211 Ų211110 Ų11083%0.82755%0.552SS**SBendtrans-73.846.5-179-161.9-106.2000114.4
389K31.1Very low49.1Very low127 Ų127107.6 Ų107.655%0.55254%0.54SS*.SBendtrans-124.4154.4177.2-71.4169.8-174.1149.30110.4E387 Q391E387-K389 PolarHBondContact O-N 2.88Å; E387-K389 IonicContact OE1-NZ 3.68Å; E387-K389 IonicContact OE2-NZ 3.76Å; K389-Q391 HydrophobicContact CB-CG 4.15Å; K389-Q391 PolarHBondContact O-N 3.38Å
390L39.4Very low51.2Low191 Ų191105.2 Ų105.2100%152%0.52SS*.  trans-72.849172.1-79.8157.6000111.8
391Q32.4Very low53.1Low107 Ų107101 Ų10150%0.550%0.498SS..PPolyproline II helixtrans-68.2144.6175.2-78.1174.9-22.600110.1K389K389-Q391 HydrophobicContact CB-CG 4.15Å; K389-Q391 PolarHBondContact O-N 3.38Å
392A45.9Very low55.3Low76 Ų76100.8 Ų100.863%0.62849%0.488SS*.PPolyproline II helixtrans-54.6145.116700000109.4R394A392-R394 PolarHBondContact O-N 3.07Å
393P50.5Low57.4Low49 Ų49100.8 Ų100.832%0.31847%0.473SS..PPolyproline II helixtrans-53.6141.3-178.122.2-33.7000110.4V8 I395V8-P393 HydrophobicContact CG1-CB 4.17Å; V8-P393 HydrophobicContact CG2-CG 4.49Å; P393-I395 VanDerWaalsContact C-N 3.26Å; P393-I395 HydrophobicContact CG-CG1 4.5Å; P393-I395 WeakPolarHBondContact O-CG1 3.5Å; P393-I395 PolarHBondContact O-N 3.4Å
394R53.5Low59.5Low164 Ų16495 Ų9562%0.61944%0.444SS*.  trans-65.789.7173.5-79.5-170.9177.3171.24109.6E118 A392E118-R394 IonicContact OE1-CZ 3.93Å; E118-R394 IonicContact OE1-NH1 2.65Å; E118-R394 PolarHBondContact OE1-NH1 3.43Å; E118-R394 IonicContact OE2-CZ 3.35Å; E118-R394 IonicContact OE2-NH1 3.34Å; E118-R394 PolarHBondContact OE2-NH1 2.96Å; E118-R394 IonicContact OE2-NH2 3.95Å; E118-R394 PolarHBondContact OE2-NH2 2.98Å; A392-R394 PolarHBondContact O-N 3.07Å
395I61.9Low61.5Low63 Ų6396.6 Ų96.632%0.32346%0.456SS..  trans-69.1133.2176.4-65143.9000107.5P393 R397 T399 L401P393-I395 VanDerWaalsContact C-N 3.26Å; P393-I395 HydrophobicContact CG-CG1 4.5Å; P393-I395 WeakPolarHBondContact O-CG1 3.5Å; P393-I395 PolarHBondContact O-N 3.4Å; I395-R397 PolarHBondContact O-N 3.49Å; I395-T399 VanDerWaalsContact CG2-O 3.28Å; I395-T399 WeakPolarHBondContact CG2-O 3.49Å; I395-T399 WeakPolarHBondContact CG2-OG1 3.36Å; I395-L401 HydrophobicContact CD1-CD1 3.47Å; I395-L401 VanDerWaalsContact CD1-CD1 3.47Å; I395-L401 HydrophobicContact CD1-CD2 3.81Å; I395-L401 HydrophobicContact CD1-CG 4.33Å; I395-L401 HydrophobicContact CG1-CD1 3.62Å; I395-L401 HydrophobicContact CG2-CD1 4.34Å
396H64.3Low63.7Low122 Ų122100.9 Ų100.957%0.56547%0.474SS*.  trans-61.1137.8175.3-163.363.5000108.5W398 T399H396-W398 PolarHBondContact O-N 3.33Å; H396-T399 PolarHBondContact O-N 2.89Å; H396-T399 PolarHBondContact O-OG1 3.32Å
397R68.5Low66Low240 Ų24099.6 Ų99.691%0.90647%0.465SS*.THydrogen-bonded Turntrans-54-9.8-164.1-74.1-175.5175.8178.8-1.4116.7I395I395-R397 PolarHBondContact O-N 3.49Å
398W80.1Confident68.4Low198 Ų19896.8 Ų96.875%0.7546%0.458SS*.THydrogen-bonded Turntrans-134.635.2-179.9-58.185.1000113.7H396 R472H396-W398 PolarHBondContact O-N 3.33Å; W398-R472 PolarHBondContact O-NH1 3.21Å
399T85.5Confident71.1Confident14 Ų1491.7 Ų91.79%0.08645%0.448CS..  trans-120.9147.7168.555.10000112.8I395 H396 R472I395-T399 VanDerWaalsContact CG2-O 3.28Å; I395-T399 WeakPolarHBondContact CG2-O 3.49Å; I395-T399 WeakPolarHBondContact CG2-OG1 3.36Å; H396-T399 PolarHBondContact O-N 2.89Å; H396-T399 PolarHBondContact O-OG1 3.32Å; T399-R472 CarbonylContact C-O 3.48Å; T399-R472 VanDerWaalsContact CA-O 3.28Å; T399-R472 WeakPolarHBondContact CA-O 3.38Å; T399-R472 VanDerWaalsContact CB-O 3.27Å; T399-R472 WeakPolarHBondContact CB-O 3.24Å
400I88.8Confident74Confident43 Ų4387.1 Ų87.122%0.22143%0.428CS..BIsolated β-bridgetrans-112.8136-168.4-62.4170.8000109.8F406 K407 I469 R472 T473 T474I400-F406 HydrophobicContact CD1-CE1 4.39Å; I400-K407 HydrophobicContact CG2-CB 4.25Å; I400-I469 HydrophobicContact CD1-CG2 4.28Å; I400-R472 PolarHBondContact N-O 3.29Å; I400-T473 HydrophobicContact CB-CG2 4.02Å; I400-T473 HydrophobicContact CG2-CG2 4.13Å; I400-T473 CarbonylContact O-C 3.38Å; I400-T473 VanDerWaalsContact O-CA 3.24Å; I400-T473 WeakPolarHBondContact O-CA 3.46Å; I400-T474 PolarHBondContact O-N 2.91Å
401L87.1Confident76.3Confident28 Ų2878.1 Ų78.115%0.14738%0.38CS..  trans-75130.9175.4-94.542.4000111.9I395 Y403 S404 T474I395-L401 HydrophobicContact CD1-CD1 3.47Å; I395-L401 VanDerWaalsContact CD1-CD1 3.47Å; I395-L401 HydrophobicContact CD1-CD2 3.81Å; I395-L401 HydrophobicContact CD1-CG 4.33Å; I395-L401 HydrophobicContact CG1-CD1 3.62Å; I395-L401 HydrophobicContact CG2-CD1 4.34Å; L401-Y403 HydrophobicContact CB-CD1 4.46Å; L401-Y403 HydrophobicContact CB-CE1 4.41Å; L401-Y403 HydrophobicContact CD2-CE1 3.98Å; L401-Y403 HydrophobicContact CD2-CE2 3.79Å; L401-Y403 VanDerWaalsContact CD2-CZ 3.45Å; L401-Y403 WeakPolarHBondContact CD2-OH 3.25Å; L401-Y403 HydrophobicContact CG-CD1 4.41Å; L401-Y403 HydrophobicContact CG-CE1 3.89Å; L401-Y403 HydrophobicContact CG-CE2 4.44Å; L401-Y403 PolarHBondContact O-N 3.46Å; L401-S404 WeakPolarHBondContact O-CB 3.47Å; L401-S404 PolarHBondContact O-N 2.61Å; L401-T474 HydrophobicContact CD1-CG2 4.1Å
402H85.8Confident79Confident27 Ų2779.4 Ų79.413%0.12538%0.381CS..THydrogen-bonded Turntrans-58.9-27.6173.257.8-89.2000113.9T474 V476H402-T474 WeakPolarHBondContact CB-O 3.48Å; H402-T474 PolarHBondContact N-OG1 3.36Å; H402-T474 PolarHBondContact ND1-O 2.87Å; H402-T474 PolarHBondContact ND1-OG1 2.87Å; H402-V476 VanDerWaalsContact CE1-CG2 3.49Å; H402-V476 WeakPolarHBondContact CE1-CG2 3.3Å; H402-V476 WeakPolarHBondContact NE2-CG2 3.46Å
403Y84.2Confident81.1Confident75 Ų7579.3 Ų79.329%0.29437%0.369SS..THydrogen-bonded Turntrans-94.37175.367.4-98.7000113.7R5 L401R5-Y403 HydrophobicContact CG-CD1 4.29Å; R5-Y403 HydrophobicContact CG-CG 4.21Å; L401-Y403 HydrophobicContact CB-CD1 4.46Å; L401-Y403 HydrophobicContact CB-CE1 4.41Å; L401-Y403 HydrophobicContact CD2-CE1 3.98Å; L401-Y403 HydrophobicContact CD2-CE2 3.79Å; L401-Y403 VanDerWaalsContact CD2-CZ 3.45Å; L401-Y403 WeakPolarHBondContact CD2-OH 3.25Å; L401-Y403 HydrophobicContact CG-CD1 4.41Å; L401-Y403 HydrophobicContact CG-CE1 3.89Å; L401-Y403 HydrophobicContact CG-CE2 4.44Å; L401-Y403 PolarHBondContact O-N 3.46Å
404S86.2Confident83.1Confident30 Ų3077 Ų7721%0.2135%0.354CS..  trans-63.9139.3176.1177.90000110.9L401 F406 K407 A408L401-S404 WeakPolarHBondContact O-CB 3.47Å; L401-S404 PolarHBondContact O-N 2.61Å; S404-F406 PolarHBondContact O-N 3.41Å; S404-F406 PolarHBondContact OG-N 3.37Å; S404-K407 PolarHBondContact O-N 3.09Å; S404-A408 PolarHBondContact O-N 3.39Å
405P88.9Confident84.7Confident106 Ų10669.6 Ų69.669%0.68833%0.327SS*.Hα-helixtrans-57.8-34.7173.824.4-33.9000111.9A408 V409P405-A408 PolarHBondContact O-N 3.47Å; P405-V409 WeakPolarHBondContact O-CG2 3.36Å; P405-V409 PolarHBondContact O-N 3.03Å
406F90.8Very high86Confident112 Ų11272.1 Ų72.149%0.49134%0.34SS..Hα-helixtrans-59.3-47.7173.4174.4-98.9000111.9I400 S404 A408 V409 W410I400-F406 HydrophobicContact CD1-CE1 4.39Å; S404-F406 PolarHBondContact O-N 3.41Å; S404-F406 PolarHBondContact OG-N 3.37Å; F406-A408 VanDerWaalsContact C-N 3.3Å; F406-A408 PolarHBondContact O-N 3.07Å; F406-V409 PolarHBondContact O-N 3.18Å; F406-W410 HydrophobicContact CZ-CE3 4.39Å; F406-W410 VanDerWaalsContact O-CB 3.31Å; F406-W410 WeakPolarHBondContact O-CB 3.2Å; F406-W410 PolarHBondContact O-N 3.17Å
407K89.5Confident87.3Confident11 Ų1167.6 Ų67.65%0.04832%0.32CS..Hα-helixtrans-68-31.2178.5-171.255.1162.982.30111.9I400 S404 D411 I469 N470 T473I400-K407 HydrophobicContact CG2-CB 4.25Å; S404-K407 PolarHBondContact O-N 3.09Å; K407-D411 VanDerWaalsContact NZ-CG 3.3Å; K407-D411 IonicContact NZ-OD1 3.9Å; K407-D411 PolarHBondContact NZ-OD1 3.48Å; K407-D411 IonicContact NZ-OD2 2.77Å; K407-D411 PolarHBondContact NZ-OD2 3.09Å; K407-D411 WeakPolarHBondContact O-CB 3.2Å; K407-D411 PolarHBondContact O-N 3.13Å; K407-I469 HydrophobicContact CD-CG2 4.14Å; K407-N470 PolarHBondContact NZ-OD1 3.4Å; K407-T473 HydrophobicContact CD-CG2 3.97Å; K407-T473 HydrophobicContact CG-CG2 4.41Å
408A87.4Confident88.4Confident38 Ų3856.2 Ų56.231%0.31428%0.277SS..Hα-helixtrans-66.3-47173.700000112.2S404 P405 F406 D411 W412S404-A408 PolarHBondContact O-N 3.39Å; P405-A408 PolarHBondContact O-N 3.47Å; F406-A408 VanDerWaalsContact C-N 3.3Å; F406-A408 PolarHBondContact O-N 3.07Å; A408-D411 PolarHBondContact O-N 3.29Å; A408-W412 PolarHBondContact O-N 3.28Å
409V90.9Very high88.8Confident104 Ų10448.6 Ų48.663%0.6325%0.251SS*.Hα-helixtrans-64.7-44.6175.9173.70000111.2P405 F406 D411 W412 L413P405-V409 WeakPolarHBondContact O-CG2 3.36Å; P405-V409 PolarHBondContact O-N 3.03Å; F406-V409 PolarHBondContact O-N 3.18Å; V409-D411 VanDerWaalsContact C-N 3.28Å; V409-D411 PolarHBondContact O-N 2.97Å; V409-W412 PolarHBondContact O-N 3.1Å; V409-W412 VanDerWaalsContact O-N 3.17Å; V409-L413 PolarHBondContact O-N 3.34Å
410W92.2Very high89.1Confident31 Ų3150 Ų5012%0.11726%0.255CS..Hα-helixtrans-58.5-40173.7-175.3-90.9000112.1F406 W412 L413 I414 M462 V465 D466 I469F406-W410 HydrophobicContact CZ-CE3 4.39Å; F406-W410 VanDerWaalsContact O-CB 3.31Å; F406-W410 WeakPolarHBondContact O-CB 3.2Å; F406-W410 PolarHBondContact O-N 3.17Å; W410-W412 VanDerWaalsContact C-N 3.29Å; W410-W412 PolarHBondContact O-N 2.9Å; W410-L413 HydrophobicContact CE3-CD2 4.31Å; W410-L413 HydrophobicContact CZ3-CD2 4.33Å; W410-L413 PolarHBondContact O-N 2.96Å; W410-I414 HydrophobicContact CZ2-CD1 4.14Å; W410-I414 WeakPolarHBondContact O-CG1 3.28Å; W410-I414 PolarHBondContact O-N 3.3Å; W410-M462 HydrophobicContact CH2-CE 3.37Å; W410-M462 HydrophobicContact CH2-SD 3.91Å; W410-M462 HydrophobicContact CZ2-CE 4.11Å; W410-M462 HydrophobicContact CZ3-CE 3.72Å; W410-V465 HydrophobicContact CH2-CB 4.42Å; W410-V465 HydrophobicContact CH2-CG1 3.7Å; W410-V465 HydrophobicContact CZ2-CB 4.39Å; W410-V465 HydrophobicContact CZ2-CG1 3.84Å; W410-D466 HydrophobicContact CZ2-CB 4.42Å; W410-D466 PolarHBondContact NE1-OD1 3.27Å; W410-I469 HydrophobicContact CD2-CD1 3.9Å; W410-I469 VanDerWaalsContact CE2-CD1 3.47Å; W410-I469 HydrophobicContact CE3-CD1 4.34Å; W410-I469 HydrophobicContact CG-CD1 4.48Å; W410-I469 HydrophobicContact CH2-CD1 4.06Å; W410-I469 HydrophobicContact CZ2-CD1 3.58Å; W410-I469 HydrophobicContact CZ3-CD1 4.41Å
411D88.5Confident89.3Confident2 Ų248.1 Ų48.11%0.01125%0.245CC..Hα-helixtrans-66.9-27.6178.8-80.1-25.1000113.7K407 A408 V409 L415 K538 R541 Y542K407-D411 VanDerWaalsContact NZ-CG 3.3Å; K407-D411 IonicContact NZ-OD1 3.9Å; K407-D411 PolarHBondContact NZ-OD1 3.48Å; K407-D411 IonicContact NZ-OD2 2.77Å; K407-D411 PolarHBondContact NZ-OD2 3.09Å; K407-D411 WeakPolarHBondContact O-CB 3.2Å; K407-D411 PolarHBondContact O-N 3.13Å; A408-D411 PolarHBondContact O-N 3.29Å; V409-D411 VanDerWaalsContact C-N 3.28Å; V409-D411 PolarHBondContact O-N 2.97Å; D411-L415 PolarHBondContact O-N 3.33Å; D411-K538 HydrophobicContact CB-CD 4.36Å; D411-K538 VanDerWaalsContact CG-CE 3.46Å; D411-K538 VanDerWaalsContact CG-NZ 3.32Å; D411-K538 PolarHBondContact O-NZ 3.22Å; D411-K538 WeakPolarHBondContact OD1-CE 3.5Å; D411-K538 IonicContact OD1-NZ 2.8Å; D411-K538 PolarHBondContact OD1-NZ 3.33Å; D411-R541 IonicContact OD2-CZ 3.16Å; D411-R541 IonicContact OD2-NH1 2.76Å; D411-R541 PolarHBondContact OD2-NH1 3.38Å; D411-R541 IonicContact OD2-NH2 3.8Å; D411-R541 PolarHBondContact OD2-NH2 2.94Å; D411-Y542 PolarHBondContact O-OH 2.81Å
412W87.8Confident89.5Confident135 Ų13546.8 Ų46.851%0.51124%0.238SC..Hα-helixtrans-76.1-40.3169.1-77.1110.7000112.8A408 V409 W410 I414 L415 L416 Y542A408-W412 PolarHBondContact O-N 3.28Å; V409-W412 PolarHBondContact O-N 3.1Å; V409-W412 VanDerWaalsContact O-N 3.17Å; W410-W412 VanDerWaalsContact C-N 3.29Å; W410-W412 PolarHBondContact O-N 2.9Å; W412-I414 VanDerWaalsContact C-N 3.32Å; W412-I414 PolarHBondContact O-N 2.76Å; W412-L415 HydrophobicContact CE3-CD2 3.72Å; W412-L415 HydrophobicContact CZ3-CD2 3.65Å; W412-L415 WeakPolarHBondContact O-CB 3.29Å; W412-L415 PolarHBondContact O-N 3.29Å; W412-L415 VanDerWaalsContact O-N 3.09Å; W412-L416 PolarHBondContact O-N 3.04Å; W412-Y542 HydrophobicContact CD2-CE1 4.29Å; W412-Y542 HydrophobicContact CE3-CE1 4.26Å; W412-Y542 AromaticContact CH2-CD1 3.79Å; W412-Y542 HydrophobicContact CH2-CD1 3.79Å; W412-Y542 AromaticContact CH2-CE1 3.8Å; W412-Y542 HydrophobicContact CH2-CE1 3.8Å; W412-Y542 AromaticContact CZ2-CD1 3.97Å; W412-Y542 HydrophobicContact CZ2-CD1 3.97Å; W412-Y542 AromaticContact CZ2-CE1 3.82Å; W412-Y542 HydrophobicContact CZ2-CE1 3.82Å; W412-Y542 HydrophobicContact CZ3-CD1 4.34Å; W412-Y542 HydrophobicContact CZ3-CE1 4.02Å
413L91.4Very high89.8Confident73 Ų7347.7 Ų47.738%0.38225%0.246SC..Hα-helixtrans-59.9-44.7174.5-179.660.6000111V409 W410 L415 L416 L417 M462V409-L413 PolarHBondContact O-N 3.34Å; W410-L413 HydrophobicContact CE3-CD2 4.31Å; W410-L413 HydrophobicContact CZ3-CD2 4.33Å; W410-L413 PolarHBondContact O-N 2.96Å; L413-L415 VanDerWaalsContact C-N 3.32Å; L413-L415 PolarHBondContact O-N 2.97Å; L413-L416 PolarHBondContact O-N 3.27Å; L413-L417 HydrophobicContact CD1-CD1 4.45Å; L413-L417 HydrophobicContact CG-CD1 4.1Å; L413-L417 VanDerWaalsContact O-CG 3.32Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 3.12Å; L413-M462 HydrophobicContact CD2-CE 3.58Å; L413-M462 HydrophobicContact CG-CE 4.24Å
414I90.8Very high90.1Very high1 Ų147.6 Ų47.61%0.00525%0.247CC..Hα-helixtrans-63.8-34.9173.5-65.4-67.8000111.6W410 W412 L417 V418 F463 D466W410-I414 HydrophobicContact CZ2-CD1 4.14Å; W410-I414 WeakPolarHBondContact O-CG1 3.28Å; W410-I414 PolarHBondContact O-N 3.3Å; W412-I414 VanDerWaalsContact C-N 3.32Å; W412-I414 PolarHBondContact O-N 2.76Å; I414-L417 HydrophobicContact CD1-CD1 4.16Å; I414-L417 PolarHBondContact O-N 2.67Å; I414-V418 HydrophobicContact CG2-CG2 4.33Å; I414-V418 WeakPolarHBondContact O-CG2 3.37Å; I414-V418 PolarHBondContact O-N 2.85Å; I414-F463 HydrophobicContact CG2-CE1 4.16Å; I414-D466 HydrophobicContact CD1-CB 3.75Å; I414-D466 HydrophobicContact CG1-CB 4.31Å
415L87.1Confident90.2Very high9 Ų946.5 Ų46.55%0.04724%0.239CC..Hα-helixtrans-62.1-45.1173.718064.9000111.5D411 W412 L413 V418 I419 V535 Y542D411-L415 PolarHBondContact O-N 3.33Å; W412-L415 HydrophobicContact CE3-CD2 3.72Å; W412-L415 HydrophobicContact CZ3-CD2 3.65Å; W412-L415 WeakPolarHBondContact O-CB 3.29Å; W412-L415 PolarHBondContact O-N 3.29Å; W412-L415 VanDerWaalsContact O-N 3.09Å; L413-L415 VanDerWaalsContact C-N 3.32Å; L413-L415 PolarHBondContact O-N 2.97Å; L415-V418 PolarHBondContact O-N 3.5Å; L415-I419 HydrophobicContact CD1-CD1 4.35Å; L415-I419 HydrophobicContact CG-CD1 4.1Å; L415-I419 WeakPolarHBondContact O-CG1 3.5Å; L415-I419 PolarHBondContact O-N 3.26Å; L415-V535 HydrophobicContact CD1-CB 4.32Å; L415-V535 HydrophobicContact CD1-CG1 3.78Å; L415-V535 HydrophobicContact CD1-CG2 3.65Å; L415-Y542 HydrophobicContact CD1-CE2 4.39Å; L415-Y542 HydrophobicContact CD2-CE1 4.37Å; L415-Y542 HydrophobicContact CD2-CE2 4.08Å
416L89.6Confident90.3Very high115 Ų11542.4 Ų42.460%0.60221%0.213SC*.Hα-helixtrans-62.3-43.8177.4-177.863.2000111.8W412 L413 V418 I419 Y420W412-L416 PolarHBondContact O-N 3.04Å; L413-L416 PolarHBondContact O-N 3.27Å; L416-V418 VanDerWaalsContact C-N 3.33Å; L416-V418 PolarHBondContact O-N 3.35Å; L416-I419 PolarHBondContact O-N 2.72Å; L416-Y420 PolarHBondContact O-N 3.36Å
417L91.9Very high90.3Very high27 Ų2740 Ų4014%0.14120%0.201CC..Hα-helixtrans-63.9-36.2176.1-68.3164.5000112.3L413 I414 Y420 T421 V459 M462 F463L413-L417 HydrophobicContact CD1-CD1 4.45Å; L413-L417 HydrophobicContact CG-CD1 4.1Å; L413-L417 VanDerWaalsContact O-CG 3.32Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 3.12Å; I414-L417 HydrophobicContact CD1-CD1 4.16Å; I414-L417 PolarHBondContact O-N 2.67Å; L417-Y420 WeakPolarHBondContact O-CB 3.41Å; L417-Y420 PolarHBondContact O-N 3.41Å; L417-T421 WeakPolarHBondContact O-CG2 3.43Å; L417-T421 PolarHBondContact O-N 3.4Å; L417-T421 PolarHBondContact O-OG1 2.89Å; L417-V459 HydrophobicContact CD2-CG2 3.91Å; L417-M462 HydrophobicContact CD1-CB 3.91Å; L417-M462 HydrophobicContact CD1-CE 3.98Å; L417-M462 HydrophobicContact CD1-CG 4.29Å; L417-F463 HydrophobicContact CB-CE2 4.32Å; L417-F463 HydrophobicContact CB-CZ 4.14Å
418V91.2Very high90.1Very high1 Ų140.5 Ų40.51%0.00621%0.206CC..Hα-helixtrans-67-42.8173.3174.30000111.3I414 L415 L416 Y420 T421 A422 F463 R531 L532 R534 V535I414-V418 HydrophobicContact CG2-CG2 4.33Å; I414-V418 WeakPolarHBondContact O-CG2 3.37Å; I414-V418 PolarHBondContact O-N 2.85Å; L415-V418 PolarHBondContact O-N 3.5Å; L416-V418 VanDerWaalsContact C-N 3.33Å; L416-V418 PolarHBondContact O-N 3.35Å; V418-Y420 VanDerWaalsContact C-N 3.33Å; V418-Y420 PolarHBondContact O-N 3.43Å; V418-T421 WeakPolarHBondContact CA-OG1 3.36Å; V418-T421 PolarHBondContact O-N 2.85Å; V418-T421 PolarHBondContact O-OG1 3.44Å; V418-A422 WeakPolarHBondContact O-CB 3.37Å; V418-A422 PolarHBondContact O-N 2.76Å; V418-F463 HydrophobicContact CB-CZ 4.48Å; V418-F463 HydrophobicContact CG2-CE1 3.65Å; V418-F463 HydrophobicContact CG2-CZ 3.58Å; V418-R531 HydrophobicContact CG1-CB 4.47Å; V418-R531 HydrophobicContact CG2-CB 4.27Å; V418-L532 HydrophobicContact CG1-CB 4.47Å; V418-L532 HydrophobicContact CG1-CD2 3.61Å; V418-L532 HydrophobicContact CG1-CG 3.89Å; V418-R534 HydrophobicContact CG2-CB 4.49Å; V418-V535 HydrophobicContact CB-CG2 4.22Å; V418-V535 HydrophobicContact CG1-CG2 3.68Å
419I89.7Confident90Very high38 Ų3840 Ų4020%0.19520%0.201CC..Hα-helixtrans-61.6-42.4175.8-67.3165.5000110.6L415 L416 T421 A422 V423L415-I419 HydrophobicContact CD1-CD1 4.35Å; L415-I419 HydrophobicContact CG-CD1 4.1Å; L415-I419 WeakPolarHBondContact O-CG1 3.5Å; L415-I419 PolarHBondContact O-N 3.26Å; L416-I419 PolarHBondContact O-N 2.72Å; I419-T421 PolarHBondContact O-N 2.92Å; I419-A422 PolarHBondContact O-N 3.42Å; I419-V423 PolarHBondContact O-N 2.77Å
420Y92.4Very high89.8Confident45 Ų4536.2 Ų36.218%0.17618%0.181CC..Hα-helixtrans-53.5-53.1170.7168.5-87.8000111L416 L417 V418 A422 V423 F424 V455 D456 V459L416-Y420 PolarHBondContact O-N 3.36Å; L417-Y420 WeakPolarHBondContact O-CB 3.41Å; L417-Y420 PolarHBondContact O-N 3.41Å; V418-Y420 VanDerWaalsContact C-N 3.33Å; V418-Y420 PolarHBondContact O-N 3.43Å; Y420-A422 VanDerWaalsContact C-N 3.28Å; Y420-A422 PolarHBondContact O-N 3.04Å; Y420-V423 PolarHBondContact O-N 2.81Å; Y420-V423 VanDerWaalsContact O-N 3.14Å; Y420-F424 AromaticContact CD2-CD2 3.34Å; Y420-F424 HydrophobicContact CD2-CD2 3.34Å; Y420-F424 AromaticContact CD2-CE2 3.6Å; Y420-F424 HydrophobicContact CD2-CE2 3.6Å; Y420-F424 HydrophobicContact CD2-CG 4.14Å; Y420-F424 HydrophobicContact CE1-CB 4.21Å; Y420-F424 HydrophobicContact CE1-CG 4.47Å; Y420-F424 HydrophobicContact CE2-CB 4.24Å; Y420-F424 HydrophobicContact CE2-CD1 4.2Å; Y420-F424 AromaticContact CE2-CD2 3.24Å; Y420-F424 HydrophobicContact CE2-CD2 3.24Å; Y420-F424 HydrophobicContact CE2-CE1 4.41Å; Y420-F424 AromaticContact CE2-CE2 3.51Å; Y420-F424 HydrophobicContact CE2-CE2 3.51Å; Y420-F424 AromaticContact CE2-CG 3.62Å; Y420-F424 HydrophobicContact CE2-CG 3.62Å; Y420-F424 HydrophobicContact CE2-CZ 4.09Å; Y420-F424 HydrophobicContact CG-CD2 4.05Å; Y420-F424 AromaticContact CZ-CD2 3.87Å; Y420-F424 AromaticContact CZ-CG 3.79Å; Y420-F424 PolarHBondContact O-N 3.37Å; Y420-V455 HydrophobicContact CE1-CG1 4.35Å; Y420-V455 HydrophobicContact CE2-CG1 3.99Å; Y420-V455 WeakPolarHBondContact OH-CG1 3.48Å; Y420-D456 VanDerWaalsContact CE1-OD1 3.3Å; Y420-D456 WeakPolarHBondContact CE1-OD1 3.39Å; Y420-D456 PolarHBondContact OH-OD1 3.11Å; Y420-V459 HydrophobicContact CD1-CG1 4.29Å; Y420-V459 HydrophobicContact CD1-CG2 3.86Å; Y420-V459 HydrophobicContact CE1-CG2 3.81Å
421T91.7Very high89.4Confident2 Ų234.9 Ų34.91%0.01218%0.176CC..Hα-helixtrans-61.7-36.3-18055.10000112.9L417 V418 I419 V423 T425 V459 F463L417-T421 WeakPolarHBondContact O-CG2 3.43Å; L417-T421 PolarHBondContact O-N 3.4Å; L417-T421 PolarHBondContact O-OG1 2.89Å; V418-T421 WeakPolarHBondContact CA-OG1 3.36Å; V418-T421 PolarHBondContact O-N 2.85Å; V418-T421 PolarHBondContact O-OG1 3.44Å; I419-T421 PolarHBondContact O-N 2.92Å; T421-V423 PolarHBondContact O-N 3.43Å; T421-T425 WeakPolarHBondContact O-CG2 3.4Å; T421-T425 PolarHBondContact O-N 2.67Å; T421-T425 PolarHBondContact O-OG1 2.84Å; T421-T425 VanDerWaalsContact O-OG1 3.06Å; T421-V459 HydrophobicContact CG2-CG1 3.65Å; T421-F463 HydrophobicContact CG2-CE2 4.05Å
422A91.9Very high88.7Confident0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-68.4-19.6-18000000113.9V418 I419 Y420 L532 L559 W563V418-A422 WeakPolarHBondContact O-CB 3.37Å; V418-A422 PolarHBondContact O-N 2.76Å; I419-A422 PolarHBondContact O-N 3.42Å; Y420-A422 VanDerWaalsContact C-N 3.28Å; Y420-A422 PolarHBondContact O-N 3.04Å; A422-L532 HydrophobicContact CB-CD1 3.88Å; A422-L532 HydrophobicContact CB-CD2 4.18Å; A422-L532 HydrophobicContact CB-CG 4.24Å; A422-L559 HydrophobicContact CB-CD1 4.33Å; A422-L559 HydrophobicContact CB-CD2 3.74Å; A422-W563 HydrophobicContact CB-CZ2 4.45Å; A422-W563 PolarHBondContact O-NE1 2.8Å
423V92.5Very high87.6Confident47 Ų4733.9 Ų33.929%0.28518%0.18SC..Hα-helixtrans-97.3-45.8173.6178.30000111.5I419 Y420 T421 Y427 L559 H562I419-V423 PolarHBondContact O-N 2.77Å; Y420-V423 PolarHBondContact O-N 2.81Å; Y420-V423 VanDerWaalsContact O-N 3.14Å; T421-V423 PolarHBondContact O-N 3.43Å; V423-Y427 WeakPolarHBondContact O-CB 3.35Å; V423-Y427 PolarHBondContact O-N 2.97Å; V423-L559 HydrophobicContact CG2-CD2 3.56Å; V423-H562 PolarHBondContact O-CE1 3.44Å; V423-H562 PolarHBondContact O-NE2 3.25Å
424F90.5Very high85.9Confident73 Ų7334.2 Ų34.232%0.3218%0.179SC..Hα-helixtrans-78.6-31.8-172.1-81.5-90.5000113.7Y420 S428 L452Y420-F424 AromaticContact CD2-CD2 3.34Å; Y420-F424 HydrophobicContact CD2-CD2 3.34Å; Y420-F424 AromaticContact CD2-CE2 3.6Å; Y420-F424 HydrophobicContact CD2-CE2 3.6Å; Y420-F424 HydrophobicContact CD2-CG 4.14Å; Y420-F424 HydrophobicContact CE1-CB 4.21Å; Y420-F424 HydrophobicContact CE1-CG 4.47Å; Y420-F424 HydrophobicContact CE2-CB 4.24Å; Y420-F424 HydrophobicContact CE2-CD1 4.2Å; Y420-F424 AromaticContact CE2-CD2 3.24Å; Y420-F424 HydrophobicContact CE2-CD2 3.24Å; Y420-F424 HydrophobicContact CE2-CE1 4.41Å; Y420-F424 AromaticContact CE2-CE2 3.51Å; Y420-F424 HydrophobicContact CE2-CE2 3.51Å; Y420-F424 AromaticContact CE2-CG 3.62Å; Y420-F424 HydrophobicContact CE2-CG 3.62Å; Y420-F424 HydrophobicContact CE2-CZ 4.09Å; Y420-F424 HydrophobicContact CG-CD2 4.05Å; Y420-F424 AromaticContact CZ-CD2 3.87Å; Y420-F424 AromaticContact CZ-CG 3.79Å; Y420-F424 PolarHBondContact O-N 3.37Å; F424-S428 WeakPolarHBondContact O-CB 3.41Å; F424-S428 PolarHBondContact O-N 3.1Å; F424-S428 PolarHBondContact O-OG 2.93Å; F424-S428 VanDerWaalsContact O-OG 3.05Å; F424-L452 HydrophobicContact CD1-CD1 3.82Å; F424-L452 HydrophobicContact CE1-CD1 4.05Å
425T88.7Confident84.1Confident7 Ų739.9 Ų39.94%0.04321%0.205CC..Hα-helixtrans-72.2-40.2-177.772.20000113.8T421 A429 R528T421-T425 WeakPolarHBondContact O-CG2 3.4Å; T421-T425 PolarHBondContact O-N 2.67Å; T421-T425 PolarHBondContact O-OG1 2.84Å; T421-T425 VanDerWaalsContact O-OG1 3.06Å; T425-A429 VanDerWaalsContact O-CB 3.29Å; T425-A429 WeakPolarHBondContact O-CB 3.39Å; T425-A429 PolarHBondContact O-N 3.08Å; T425-R528 HydrophobicContact CG2-CB 3.87Å; T425-R528 HydrophobicContact CG2-CG 4.42Å
426P90.7Very high82.2Confident20 Ų2045.1 Ų45.113%0.1324%0.237CC..Hα-helixtrans-69.3-36.9173.5-18.133.7000112.2A430 L529 C566P426-A430 VanDerWaalsContact O-CB 3.27Å; P426-A430 WeakPolarHBondContact O-CB 3.47Å; P426-A430 PolarHBondContact O-N 3.28Å; P426-L529 HydrophobicContact CG-CD2 4.08Å; P426-C566 HydrophobicContact CB-CB 4.22Å
427Y90.5Very high80.2Confident61 Ų6147.3 Ų47.324%0.23925%0.245CC..Hα-helixtrans-60.5-52.2175-179.9-103.3000111.5V423 A429 A430 F431 L432 Y611V423-Y427 WeakPolarHBondContact O-CB 3.35Å; V423-Y427 PolarHBondContact O-N 2.97Å; Y427-A429 PolarHBondContact O-N 3.13Å; Y427-A430 PolarHBondContact O-N 2.8Å; Y427-F431 HydrophobicContact CD2-CB 4.46Å; Y427-F431 AromaticContact CD2-CD2 3.65Å; Y427-F431 HydrophobicContact CD2-CD2 3.65Å; Y427-F431 HydrophobicContact CD2-CE2 4.2Å; Y427-F431 HydrophobicContact CD2-CG 4.21Å; Y427-F431 HydrophobicContact CE2-CB 4.2Å; Y427-F431 AromaticContact CE2-CD2 3.92Å; Y427-F431 HydrophobicContact CE2-CD2 3.92Å; Y427-F431 HydrophobicContact CE2-CG 4.03Å; Y427-F431 HydrophobicContact CG-CD2 4.44Å; Y427-F431 WeakPolarHBondContact O-CB 3.29Å; Y427-F431 PolarHBondContact O-N 2.91Å; Y427-L432 HydrophobicContact CD1-CD1 3.99Å; Y427-L432 HydrophobicContact CE1-CD1 3.46Å; Y427-L432 VanDerWaalsContact CE1-CD1 3.46Å; Y427-Y611 AromaticContact CD2-CD2 3.83Å; Y427-Y611 HydrophobicContact CD2-CD2 3.83Å; Y427-Y611 AromaticContact CD2-CE2 3.92Å; Y427-Y611 HydrophobicContact CD2-CE2 3.92Å; Y427-Y611 HydrophobicContact CD2-CG 4.49Å; Y427-Y611 AromaticContact CE2-CD2 3.85Å; Y427-Y611 HydrophobicContact CE2-CD2 3.85Å; Y427-Y611 HydrophobicContact CE2-CE2 4.3Å; Y427-Y611 HydrophobicContact CE2-CG 4.07Å
428S85.5Confident77.9Confident22 Ų2252.6 Ų52.615%0.15427%0.269CS..Iπ-helixtrans-63.2-39.4178.8-63.70000112.6F424 L432F424-S428 WeakPolarHBondContact O-CB 3.41Å; F424-S428 PolarHBondContact O-N 3.1Å; F424-S428 PolarHBondContact O-OG 2.93Å; F424-S428 VanDerWaalsContact O-OG 3.05Å; S428-L432 PolarHBondContact O-N 2.93Å
429A84.1Confident75.5Confident26 Ų2654.6 Ų54.622%0.21529%0.29CS..Iπ-helixtrans-69.7-33.6177.900000113.5T425 Y427 L433T425-A429 VanDerWaalsContact O-CB 3.29Å; T425-A429 WeakPolarHBondContact O-CB 3.39Å; T425-A429 PolarHBondContact O-N 3.08Å; Y427-A429 PolarHBondContact O-N 3.13Å; A429-L433 VanDerWaalsContact O-CD1 3.25Å; A429-L433 WeakPolarHBondContact O-CD1 3.2Å
430A86.4Confident73Confident25 Ų2558.3 Ų58.321%0.20732%0.316CS..Iπ-helixtrans-89.6-37.2-178.100000113.9P426 Y427 C566 Y569P426-A430 VanDerWaalsContact O-CB 3.27Å; P426-A430 WeakPolarHBondContact O-CB 3.47Å; P426-A430 PolarHBondContact O-N 3.28Å; Y427-A430 PolarHBondContact O-N 2.8Å; A430-C566 HydrophobicContact CB-CB 3.85Å; A430-Y569 WeakPolarHBondContact O-CD1 3.39Å; A430-Y569 VanDerWaalsContact O-CE1 3.27Å; A430-Y569 WeakPolarHBondContact O-CE1 3.41Å
431F85Confident70.6Confident3 Ų362.3 Ų62.31%0.01335%0.348CS..Iπ-helixtrans-105.5-34.3-170.2-68.3-90.4000114.6Y427 Y569 I607 K610 Y611Y427-F431 HydrophobicContact CD2-CB 4.46Å; Y427-F431 AromaticContact CD2-CD2 3.65Å; Y427-F431 HydrophobicContact CD2-CD2 3.65Å; Y427-F431 HydrophobicContact CD2-CE2 4.2Å; Y427-F431 HydrophobicContact CD2-CG 4.21Å; Y427-F431 HydrophobicContact CE2-CB 4.2Å; Y427-F431 AromaticContact CE2-CD2 3.92Å; Y427-F431 HydrophobicContact CE2-CD2 3.92Å; Y427-F431 HydrophobicContact CE2-CG 4.03Å; Y427-F431 HydrophobicContact CG-CD2 4.44Å; Y427-F431 WeakPolarHBondContact O-CB 3.29Å; Y427-F431 PolarHBondContact O-N 2.91Å; F431-Y569 AromaticContact CD1-CD1 3.5Å; F431-Y569 HydrophobicContact CD1-CD1 3.5Å; F431-Y569 HydrophobicContact CD1-CD2 4.27Å; F431-Y569 AromaticContact CD1-CE1 3.53Å; F431-Y569 HydrophobicContact CD1-CE1 3.53Å; F431-Y569 HydrophobicContact CD1-CE2 4.3Å; F431-Y569 AromaticContact CD1-CG 3.89Å; F431-Y569 HydrophobicContact CD1-CG 3.89Å; F431-Y569 AromaticContact CD1-CZ 3.94Å; F431-Y569 HydrophobicContact CD2-CD1 4.29Å; F431-Y569 AromaticContact CE1-CD1 3.41Å; F431-Y569 HydrophobicContact CE1-CD1 3.41Å; F431-Y569 VanDerWaalsContact CE1-CD1 3.41Å; F431-Y569 AromaticContact CE1-CD2 3.61Å; F431-Y569 HydrophobicContact CE1-CD2 3.61Å; F431-Y569 AromaticContact CE1-CE1 3.83Å; F431-Y569 HydrophobicContact CE1-CE1 3.83Å; F431-Y569 HydrophobicContact CE1-CE2 4.02Å; F431-Y569 AromaticContact CE1-CG 3.28Å; F431-Y569 HydrophobicContact CE1-CG 3.28Å; F431-Y569 HydrophobicContact CE2-CD1 4.19Å; F431-Y569 HydrophobicContact CE2-CG 4.32Å; F431-Y569 AromaticContact CG-CD1 3.97Å; F431-Y569 HydrophobicContact CG-CD1 3.97Å; F431-Y569 HydrophobicContact CG-CE1 4.09Å; F431-Y569 VanDerWaalsContact CZ-CB 3.48Å; F431-Y569 AromaticContact CZ-CD1 3.76Å; F431-Y569 HydrophobicContact CZ-CD1 3.76Å; F431-Y569 HydrophobicContact CZ-CD2 4.19Å; F431-Y569 AromaticContact CZ-CG 3.52Å; F431-Y569 HydrophobicContact CZ-CG 3.52Å; F431-I607 HydrophobicContact CB-CG2 4.25Å; F431-I607 HydrophobicContact CD1-CG2 4.04Å; F431-I607 HydrophobicContact CG-CG2 4.47Å; F431-K610 HydrophobicContact CE1-CB 4.37Å; F431-Y611 HydrophobicContact CD2-CD2 4.39Å; F431-Y611 HydrophobicContact CE1-CD2 4.4Å; F431-Y611 AromaticContact CE2-CD2 3.7Å; F431-Y611 HydrophobicContact CE2-CD2 3.7Å; F431-Y611 HydrophobicContact CE2-CE2 4.44Å; F431-Y611 AromaticContact CZ-CD2 3.71Å; F431-Y611 HydrophobicContact CZ-CD2 3.71Å; F431-Y611 HydrophobicContact CZ-CG 4.38Å
432L74.2Confident68Low42 Ų4266.6 Ų66.622%0.2238%0.383CS..Iπ-helixtrans-92-22-167.6-88.864000114.7Y427 S428 K434 E435 L452Y427-L432 HydrophobicContact CD1-CD1 3.99Å; Y427-L432 HydrophobicContact CE1-CD1 3.46Å; Y427-L432 VanDerWaalsContact CE1-CD1 3.46Å; S428-L432 PolarHBondContact O-N 2.93Å; L432-K434 PolarHBondContact O-N 3.19Å; L432-K434 VanDerWaalsContact O-N 3.14Å; L432-E435 PolarHBondContact O-N 2.89Å; L432-L452 HydrophobicContact CD2-CD2 3.84Å
433L63.8Low65.5Low75 Ų7572.4 Ų72.439%0.39342%0.419SS..THydrogen-bonded Turntrans-54.9-37.6-176-68178.6000112.7A429 T436A429-L433 VanDerWaalsContact O-CD1 3.25Å; A429-L433 WeakPolarHBondContact O-CD1 3.2Å; L433-T436 PolarHBondContact O-OG1 3.16Å
434K55.9Low63.1Low80 Ų8079.2 Ų79.235%0.34845%0.448SS..THydrogen-bonded Turntrans-80.8-23.7-174.2-156.7176.4-170.8178.20114.9L432 T436 E437 N573L432-K434 PolarHBondContact O-N 3.19Å; L432-K434 VanDerWaalsContact O-N 3.14Å; K434-T436 PolarHBondContact O-N 2.84Å; K434-E437 PolarHBondContact O-N 3.03Å; K434-N573 PolarHBondContact NZ-OD1 3.22Å
435E52.5Low60.9Low119 Ų11979.9 Ų79.956%0.55646%0.46SS*.Hα-helixtrans-68.2-22.7178-82.5-169.3136.100112.7L432 E437 E438 I607L432-E435 PolarHBondContact O-N 2.89Å; E435-E437 VanDerWaalsContact C-N 3.26Å; E435-E437 PolarHBondContact O-N 2.85Å; E435-E438 PolarHBondContact O-N 3.4Å; E435-I607 HydrophobicContact CG-CD1 3.64Å; E435-I607 VanDerWaalsContact OE1-CD1 3.27Å; E435-I607 WeakPolarHBondContact OE1-CD1 3.28Å
436T48Very low58.8Low119 Ų11982 Ų8273%0.7348%0.483SS*.Hα-helixtrans-67.3-25179.7-37.50000112.8L433 K434L433-T436 PolarHBondContact O-OG1 3.16Å; K434-T436 PolarHBondContact O-N 2.84Å
437E46.8Very low57Low162 Ų16285.5 Ų85.576%0.75750%0.495SS*.Hα-helixtrans-82.8-29.5179.8-66.5-171.599.400113.7K434 E435K434-E437 PolarHBondContact O-N 3.03Å; E435-E437 VanDerWaalsContact C-N 3.26Å; E435-E437 PolarHBondContact O-N 2.85Å
438E45.1Very low55.3Low138 Ų13886.7 Ų86.765%0.64552%0.517SS*.Hα-helixtrans-94.1-4.2-171.3-65.5-174-167.200113.7E435E435-E438 PolarHBondContact O-N 3.4Å
439G40Very low54Low43 Ų4388.7 Ų88.744%0.44353%0.53SS..SBendtrans-86.1138.2175.600000113.2
440P37.6Very low53.4Low115 Ų11593.4 Ų93.475%0.74755%0.548SS*.  trans-62.9145.4168.528.9-34.4000110A442P440-A442 PolarHBondContact O-N 2.86Å
441P40.5Very low53.2Low130 Ų13096.7 Ų96.784%0.84457%0.567SS**  trans-65.597.1-17425.7-34.5000111.5T443P441-T443 PolarHBondContact O-N 2.88Å
442A37.3Very low53.1Low92 Ų9298.8 Ų98.876%0.7658%0.578SS**  trans-67.5122.518000000110.4P440 E444P440-A442 PolarHBondContact O-N 2.86Å; A442-E444 PolarHBondContact O-N 2.9Å
443T39Very low53.3Low121 Ų12198.3 Ų98.374%0.74258%0.58SS**  trans-64.3120-166.8-37.20000112.5P441 C445P441-T443 PolarHBondContact O-N 2.88Å; T443-C445 PolarHBondContact O-N 2.88Å
444E43Very low54.3Low191 Ų19197.5 Ų97.589%0.89358%0.578SS**SBendtrans55.35.8159.5-63-178.5151.600118.9A442 G446A442-E444 PolarHBondContact O-N 2.9Å; E444-G446 VanDerWaalsContact C-N 3.35Å; E444-G446 PolarHBondContact O-N 2.85Å
445C44.2Very low55.8Low86 Ų8696.8 Ų96.858%0.58158%0.581SS**  trans-78.280.2176.2-144.40000111.2T443 C449T443-C445 PolarHBondContact O-N 2.88Å; C445-C449 WeakPolarHBondContact CA-SG 3.17Å; C445-C449 HydrophobicContact CB-CB 3.89Å; C445-C449 WeakPolarHBondContact CB-SG 3.41Å; C445-C449 WeakPolarHBondContact SG-CB 3.28Å; C445-C449 CovalentContact SG-SG 2.04Å; C445-C449 PolarHBondContact SG-SG 2.91Å
446G45.2Very low57.4Low51 Ų5191.9 Ų91.953%0.52656%0.558SS.*  trans-61.5176.6-178.300000115E444 A448 C449E444-G446 VanDerWaalsContact C-N 3.35Å; E444-G446 PolarHBondContact O-N 2.85Å; G446-A448 PolarHBondContact O-N 2.96Å; G446-C449 PolarHBondContact O-N 2.69Å; G446-C449 PolarHBondContact O-SG 3.05Å; G446-C449 VanDerWaalsContact O-SG 3.36Å
447Y52.6Low59.2Low95 Ų9590 Ų9037%0.37354%0.543SS..G310 helixtrans-27.4-36-172.7-103.8-78.7000119.1C449 A453 D509 L510 F513Y447-C449 PolarHBondContact O-N 2.93Å; Y447-A453 HydrophobicContact CD1-CB 4.29Å; Y447-D509 PolarHBondContact OH-O 3.09Å; Y447-L510 HydrophobicContact CE2-CD2 4.47Å; Y447-F513 HydrophobicContact CD2-CE1 4.23Å; Y447-F513 HydrophobicContact CD2-CE2 4.33Å; Y447-F513 HydrophobicContact CD2-CZ 4.1Å; Y447-F513 AromaticContact CE2-CD1 3.9Å; Y447-F513 HydrophobicContact CE2-CD1 3.9Å; Y447-F513 AromaticContact CE2-CD2 3.54Å; Y447-F513 HydrophobicContact CE2-CD2 3.54Å; Y447-F513 AromaticContact CE2-CE1 3.87Å; Y447-F513 HydrophobicContact CE2-CE1 3.87Å; Y447-F513 AromaticContact CE2-CE2 3.5Å; Y447-F513 HydrophobicContact CE2-CE2 3.5Å; Y447-F513 AromaticContact CE2-CG 3.74Å; Y447-F513 HydrophobicContact CE2-CG 3.74Å; Y447-F513 AromaticContact CE2-CZ 3.67Å; Y447-F513 HydrophobicContact CE2-CZ 3.67Å; Y447-F513 AromaticContact CZ-CD2 3.83Å; Y447-F513 AromaticContact CZ-CE2 3.89Å; Y447-F513 WeakPolarHBondContact OH-CD2 3Å
448A54.7Low61.3Low86 Ų8686.9 Ų86.971%0.71153%0.53SS*.G310 helixtrans-62.3-22.7177.300000114.4G446 Q450G446-A448 PolarHBondContact O-N 2.96Å; A448-Q450 PolarHBondContact O-N 3.41Å
449C57.9Low63.5Low64 Ų6480.5 Ų80.543%0.43250%0.501SS..G310 helixtrans-76.8-18.6-172.9-56.50000114.3C445 G446 Y447 P451C445-C449 WeakPolarHBondContact CA-SG 3.17Å; C445-C449 HydrophobicContact CB-CB 3.89Å; C445-C449 WeakPolarHBondContact CB-SG 3.41Å; C445-C449 WeakPolarHBondContact SG-CB 3.28Å; C445-C449 CovalentContact SG-SG 2.04Å; C445-C449 PolarHBondContact SG-SG 2.91Å; G446-C449 PolarHBondContact O-N 2.69Å; G446-C449 PolarHBondContact O-SG 3.05Å; G446-C449 VanDerWaalsContact O-SG 3.36Å; Y447-C449 PolarHBondContact O-N 2.93Å; C449-P451 WeakPolarHBondContact O-CD 3.25Å
450Q71.6Confident65.9Low124 Ų12478.7 Ų78.758%0.57948%0.481SS*.  trans-102.6106.3-178.9-165.271.4-18.600110.9A448 L452 A453 V454A448-Q450 PolarHBondContact O-N 3.41Å; Q450-L452 VanDerWaalsContact C-N 3.25Å; Q450-L452 PolarHBondContact O-N 3.44Å; Q450-L452 VanDerWaalsContact O-N 3.14Å; Q450-A453 HydrophobicContact CB-CB 4.32Å; Q450-A453 PolarHBondContact O-N 3.41Å; Q450-V454 PolarHBondContact O-N 2.86Å
451P83.3Confident68.4Low94 Ų9477.4 Ų77.461%0.6147%0.467SS*.Hα-helixtrans-62.9-29.1-169.923.1-33.7000113.6C449 V454 V455C449-P451 WeakPolarHBondContact O-CD 3.25Å; P451-V454 PolarHBondContact O-N 3.48Å; P451-V455 WeakPolarHBondContact O-CG2 3.35Å; P451-V455 PolarHBondContact O-N 3.44Å; P451-V455 VanDerWaalsContact O-N 3.08Å
452L81.1Confident70.9Confident47 Ų4773.2 Ų73.225%0.24644%0.437CS..Hα-helixtrans-64.6-39.7175.6-175.163000112.3F424 L432 Q450 V454 V455 D456F424-L452 HydrophobicContact CD1-CD1 3.82Å; F424-L452 HydrophobicContact CE1-CD1 4.05Å; L432-L452 HydrophobicContact CD2-CD2 3.84Å; Q450-L452 VanDerWaalsContact C-N 3.25Å; Q450-L452 PolarHBondContact O-N 3.44Å; Q450-L452 VanDerWaalsContact O-N 3.14Å; L452-V454 VanDerWaalsContact C-N 3.34Å; L452-V455 PolarHBondContact O-N 2.93Å; L452-D456 PolarHBondContact O-N 3.03Å
453A78.6Confident73.5Confident32 Ų3268.9 Ų68.926%0.26440%0.401SS..Hα-helixtrans-68.2-35.4177.900000111.8Y447 Q450 D456 L457Y447-A453 HydrophobicContact CD1-CB 4.29Å; Q450-A453 HydrophobicContact CB-CB 4.32Å; Q450-A453 PolarHBondContact O-N 3.41Å; A453-D456 PolarHBondContact O-N 2.88Å; A453-L457 WeakPolarHBondContact O-CB 3.24Å; A453-L457 PolarHBondContact O-N 2.96Å
454V85.4Confident76Confident59 Ų5966.6 Ų66.636%0.35838%0.383SS..Hα-helixtrans-65.5-42174.1-179.80000111.2Q450 P451 L452 L457 I458Q450-V454 PolarHBondContact O-N 2.86Å; P451-V454 PolarHBondContact O-N 3.48Å; L452-V454 VanDerWaalsContact C-N 3.34Å; V454-L457 PolarHBondContact O-N 3.28Å; V454-I458 HydrophobicContact CG1-CD1 4.11Å; V454-I458 WeakPolarHBondContact O-CD1 3.41Å; V454-I458 VanDerWaalsContact O-CG1 3.3Å; V454-I458 WeakPolarHBondContact O-CG1 3.48Å; V454-I458 PolarHBondContact O-N 3.32Å; V454-I458 VanDerWaalsContact O-N 3.08Å
455V88.2Confident78.4Confident65 Ų6560 Ų6039%0.39436%0.356SS..Hα-helixtrans-63.9-46.8175174.20000111.1Y420 P451 L452 L457 I458 V459Y420-V455 HydrophobicContact CE1-CG1 4.35Å; Y420-V455 HydrophobicContact CE2-CG1 3.99Å; Y420-V455 WeakPolarHBondContact OH-CG1 3.48Å; P451-V455 WeakPolarHBondContact O-CG2 3.35Å; P451-V455 PolarHBondContact O-N 3.44Å; P451-V455 VanDerWaalsContact O-N 3.08Å; L452-V455 PolarHBondContact O-N 2.93Å; V455-L457 VanDerWaalsContact C-N 3.32Å; V455-L457 PolarHBondContact O-N 2.99Å; V455-I458 PolarHBondContact O-N 2.98Å; V455-I458 VanDerWaalsContact O-N 3.16Å; V455-V459 HydrophobicContact CG1-CG2 4.29Å; V455-V459 VanDerWaalsContact O-CG2 3.25Å; V455-V459 WeakPolarHBondContact O-CG2 3.36Å; V455-V459 PolarHBondContact O-N 2.91Å
456D86.3Confident80.7Confident16 Ų1656 Ų569%0.08633%0.329CS..Hα-helixtrans-59.8-40.5177.5-86.59.8000112.4Y420 L452 A453 V459 D460 R528Y420-D456 VanDerWaalsContact CE1-OD1 3.3Å; Y420-D456 WeakPolarHBondContact CE1-OD1 3.39Å; Y420-D456 PolarHBondContact OH-OD1 3.11Å; L452-D456 PolarHBondContact O-N 3.03Å; A453-D456 PolarHBondContact O-N 2.88Å; D456-V459 WeakPolarHBondContact O-CB 3.41Å; D456-V459 PolarHBondContact O-N 2.82Å; D456-D460 PolarHBondContact O-N 2.85Å; D456-R528 VanDerWaalsContact CG-NH1 3.35Å; D456-R528 IonicContact OD2-CZ 3.15Å; D456-R528 IonicContact OD2-NH1 2.66Å; D456-R528 PolarHBondContact OD2-NH1 2.86Å; D456-R528 IonicContact OD2-NH2 2.78Å
457L84.9Confident83Confident79 Ų7954.4 Ų54.441%0.41431%0.308SS..Hα-helixtrans-62.7-42174.7-17961.2000112.3A453 V454 V455 V459 D460 I461 L510A453-L457 WeakPolarHBondContact O-CB 3.24Å; A453-L457 PolarHBondContact O-N 2.96Å; V454-L457 PolarHBondContact O-N 3.28Å; V455-L457 VanDerWaalsContact C-N 3.32Å; V455-L457 PolarHBondContact O-N 2.99Å; L457-V459 VanDerWaalsContact C-N 3.33Å; L457-D460 PolarHBondContact O-N 3.45Å; L457-I461 HydrophobicContact CD1-CD1 4.39Å; L457-I461 HydrophobicContact CG-CD1 4.15Å; L457-I461 WeakPolarHBondContact O-CD1 3.25Å; L457-I461 VanDerWaalsContact O-CG1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.43Å; L457-I461 PolarHBondContact O-N 3.16Å; L457-L510 HydrophobicContact CD1-CD1 4.09Å
458I90.3Very high84.9Confident96 Ų9655.1 Ų55.149%0.49232%0.318SS..Hα-helixtrans-62.9-41.5175-69164000110.7V454 V455 I461 M462V454-I458 HydrophobicContact CG1-CD1 4.11Å; V454-I458 WeakPolarHBondContact O-CD1 3.41Å; V454-I458 VanDerWaalsContact O-CG1 3.3Å; V454-I458 WeakPolarHBondContact O-CG1 3.48Å; V454-I458 PolarHBondContact O-N 3.32Å; V454-I458 VanDerWaalsContact O-N 3.08Å; V455-I458 PolarHBondContact O-N 2.98Å; V455-I458 VanDerWaalsContact O-N 3.16Å; I458-I461 PolarHBondContact O-N 3.09Å; I458-M462 VanDerWaalsContact O-CG 3.29Å; I458-M462 WeakPolarHBondContact O-CG 3.34Å; I458-M462 PolarHBondContact O-N 3.28Å
459V91.6Very high86.7Confident5 Ų552 Ų523%0.0329%0.289CS..Hα-helixtrans-62.4-44.4177.1171.80000110.8L417 Y420 T421 V455 D456 L457 M462 F463L417-V459 HydrophobicContact CD2-CG2 3.91Å; Y420-V459 HydrophobicContact CD1-CG1 4.29Å; Y420-V459 HydrophobicContact CD1-CG2 3.86Å; Y420-V459 HydrophobicContact CE1-CG2 3.81Å; T421-V459 HydrophobicContact CG2-CG1 3.65Å; V455-V459 HydrophobicContact CG1-CG2 4.29Å; V455-V459 VanDerWaalsContact O-CG2 3.25Å; V455-V459 WeakPolarHBondContact O-CG2 3.36Å; V455-V459 PolarHBondContact O-N 2.91Å; D456-V459 WeakPolarHBondContact O-CB 3.41Å; D456-V459 PolarHBondContact O-N 2.82Å; L457-V459 VanDerWaalsContact C-N 3.33Å; V459-M462 WeakPolarHBondContact O-CB 3.49Å; V459-M462 PolarHBondContact O-N 3.25Å; V459-F463 HydrophobicContact CG1-CD2 3.91Å; V459-F463 HydrophobicContact CG1-CE2 3.57Å; V459-F463 WeakPolarHBondContact O-CD2 3.45Å; V459-F463 PolarHBondContact O-N 3.05Å; V459-F463 VanDerWaalsContact O-N 3.11Å
460D90.3Very high88.3Confident4 Ų450 Ų502%0.02127%0.274CS..Hα-helixtrans-63.3-44.1177.5-8026.7000111.9D456 L457 M462 F463 I464 R531D456-D460 PolarHBondContact O-N 2.85Å; L457-D460 PolarHBondContact O-N 3.45Å; D460-M462 VanDerWaalsContact C-N 3.3Å; D460-M462 PolarHBondContact O-N 3.4Å; D460-F463 PolarHBondContact O-N 2.87Å; D460-F463 VanDerWaalsContact O-N 3.13Å; D460-I464 WeakPolarHBondContact O-CG1 3.45Å; D460-I464 PolarHBondContact O-N 3.4Å; D460-I464 VanDerWaalsContact O-N 3.09Å; D460-R531 IonicContact OD1-CZ 3.17Å; D460-R531 IonicContact OD1-NH1 3.97Å; D460-R531 PolarHBondContact OD1-NH1 2.87Å; D460-R531 IonicContact OD1-NH2 2.69Å; D460-R531 PolarHBondContact OD1-NH2 3.28Å; D460-R531 IonicContact OD2-NH2 2.76Å; D460-R531 PolarHBondContact OD2-NH2 3.43Å; D460-R531 VanDerWaalsContact OD2-NH2 3.17Å
461I91Very high89.3Confident89 Ų8945.8 Ų45.846%0.45625%0.254SS..Hα-helixtrans-57.1-43.1172.7-69.2164.1000111.1L457 I458 F463 I464 V465L457-I461 HydrophobicContact CD1-CD1 4.39Å; L457-I461 HydrophobicContact CG-CD1 4.15Å; L457-I461 WeakPolarHBondContact O-CD1 3.25Å; L457-I461 VanDerWaalsContact O-CG1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.43Å; L457-I461 PolarHBondContact O-N 3.16Å; I458-I461 PolarHBondContact O-N 3.09Å; I461-F463 VanDerWaalsContact C-N 3.32Å; I461-F463 PolarHBondContact O-N 2.92Å; I461-I464 PolarHBondContact O-N 3.18Å; I461-V465 WeakPolarHBondContact O-CG2 3.32Å; I461-V465 PolarHBondContact O-N 3.39Å
462M92.2Very high89.6Confident42 Ų4246.6 Ų46.621%0.20724%0.244CC..Hα-helixtrans-63.8-34.1177.9-72.2-70.2-72.100112.9W410 L413 L417 I458 V459 D460 V465 D466W410-M462 HydrophobicContact CH2-CE 3.37Å; W410-M462 HydrophobicContact CH2-SD 3.91Å; W410-M462 HydrophobicContact CZ2-CE 4.11Å; W410-M462 HydrophobicContact CZ3-CE 3.72Å; L413-M462 HydrophobicContact CD2-CE 3.58Å; L413-M462 HydrophobicContact CG-CE 4.24Å; L417-M462 HydrophobicContact CD1-CB 3.91Å; L417-M462 HydrophobicContact CD1-CE 3.98Å; L417-M462 HydrophobicContact CD1-CG 4.29Å; I458-M462 VanDerWaalsContact O-CG 3.29Å; I458-M462 WeakPolarHBondContact O-CG 3.34Å; I458-M462 PolarHBondContact O-N 3.28Å; V459-M462 WeakPolarHBondContact O-CB 3.49Å; V459-M462 PolarHBondContact O-N 3.25Å; D460-M462 VanDerWaalsContact C-N 3.3Å; D460-M462 PolarHBondContact O-N 3.4Å; M462-V465 PolarHBondContact O-N 2.85Å; M462-D466 PolarHBondContact O-N 3.35Å
463F92.2Very high90.1Very high0 Ų045.2 Ų45.20%024%0.238CC..Hα-helixtrans-71.5-32.9174.1-78-67.9000113.4I414 L417 V418 T421 V459 D460 I461 D466 I467 A505 R531 R534I414-F463 HydrophobicContact CG2-CE1 4.16Å; L417-F463 HydrophobicContact CB-CE2 4.32Å; L417-F463 HydrophobicContact CB-CZ 4.14Å; V418-F463 HydrophobicContact CB-CZ 4.48Å; V418-F463 HydrophobicContact CG2-CE1 3.65Å; V418-F463 HydrophobicContact CG2-CZ 3.58Å; T421-F463 HydrophobicContact CG2-CE2 4.05Å; V459-F463 HydrophobicContact CG1-CD2 3.91Å; V459-F463 HydrophobicContact CG1-CE2 3.57Å; V459-F463 WeakPolarHBondContact O-CD2 3.45Å; V459-F463 PolarHBondContact O-N 3.05Å; V459-F463 VanDerWaalsContact O-N 3.11Å; D460-F463 PolarHBondContact O-N 2.87Å; D460-F463 VanDerWaalsContact O-N 3.13Å; I461-F463 VanDerWaalsContact C-N 3.32Å; I461-F463 PolarHBondContact O-N 2.92Å; F463-D466 PolarHBondContact O-N 3Å; F463-I467 WeakPolarHBondContact O-CG1 3.37Å; F463-I467 PolarHBondContact O-N 3.1Å; F463-A505 HydrophobicContact CB-CB 4.37Å; F463-R531 HydrophobicContact CD1-CG 4.46Å; F463-R531 HydrophobicContact CD2-CG 4.49Å; F463-R531 HydrophobicContact CE1-CB 4.3Å; F463-R531 HydrophobicContact CE1-CG 4.25Å; F463-R531 HydrophobicContact CE2-CG 4.3Å; F463-R531 HydrophobicContact CZ-CB 4.19Å; F463-R531 HydrophobicContact CZ-CG 4.17Å; F463-R534 PolarHBondContact O-NH1 3.26Å
464I92.2Very high90.6Very high74 Ų7443.9 Ų43.938%0.37923%0.227SC..Hα-helixtrans-66-44.4171.2-64.3167000110.1D460 I461 D466 I467 L468 A505D460-I464 WeakPolarHBondContact O-CG1 3.45Å; D460-I464 PolarHBondContact O-N 3.4Å; D460-I464 VanDerWaalsContact O-N 3.09Å; I461-I464 PolarHBondContact O-N 3.18Å; I464-D466 VanDerWaalsContact C-N 3.34Å; I464-D466 PolarHBondContact O-N 3.31Å; I464-I467 WeakPolarHBondContact O-CB 3.49Å; I464-I467 PolarHBondContact O-N 3.17Å; I464-I467 VanDerWaalsContact O-N 3.15Å; I464-L468 PolarHBondContact O-N 3.27Å; I464-A505 HydrophobicContact CG1-CB 4.21Å
465V93.1Very high90.7Very high52 Ų5243.3 Ų43.332%0.31522%0.218SC..Hα-helixtrans-61.9-39.1175.3173.30000111.7W410 I461 M462 I467 L468 I469W410-V465 HydrophobicContact CH2-CB 4.42Å; W410-V465 HydrophobicContact CH2-CG1 3.7Å; W410-V465 HydrophobicContact CZ2-CB 4.39Å; W410-V465 HydrophobicContact CZ2-CG1 3.84Å; I461-V465 WeakPolarHBondContact O-CG2 3.32Å; I461-V465 PolarHBondContact O-N 3.39Å; M462-V465 PolarHBondContact O-N 2.85Å; V465-I467 VanDerWaalsContact C-N 3.31Å; V465-I467 PolarHBondContact O-N 3.09Å; V465-L468 PolarHBondContact O-N 2.68Å; V465-I469 HydrophobicContact CG1-CD1 3.82Å; V465-I469 HydrophobicContact CG1-CG1 4.38Å; V465-I469 WeakPolarHBondContact O-CG1 3.41Å; V465-I469 PolarHBondContact O-N 3.01Å
466D93.2Very high90.5Very high2 Ų242.7 Ų42.71%0.01122%0.215CC..Hα-helixtrans-62.6-34.5174.7-171.662000112.6W410 I414 M462 F463 I464 I469 N470 R534W410-D466 HydrophobicContact CZ2-CB 4.42Å; W410-D466 PolarHBondContact NE1-OD1 3.27Å; I414-D466 HydrophobicContact CD1-CB 3.75Å; I414-D466 HydrophobicContact CG1-CB 4.31Å; M462-D466 PolarHBondContact O-N 3.35Å; F463-D466 PolarHBondContact O-N 3Å; I464-D466 VanDerWaalsContact C-N 3.34Å; I464-D466 PolarHBondContact O-N 3.31Å; D466-I469 PolarHBondContact O-N 3.2Å; D466-N470 WeakPolarHBondContact O-CB 3.47Å; D466-N470 PolarHBondContact O-N 3Å; D466-N470 PolarHBondContact O-ND2 3.26Å; D466-N470 PolarHBondContact OD2-ND2 3.3Å; D466-N470 VanDerWaalsContact OD2-ND2 3.16Å; D466-R534 IonicContact OD2-CZ 3.5Å; D466-R534 IonicContact OD2-NH1 3.74Å; D466-R534 PolarHBondContact OD2-NH1 3.41Å
467I92.6Very high90.3Very high18 Ų1844.7 Ų44.79%0.09223%0.225CC..Hα-helixtrans-63.5-46.9173.3-66.2166.4000110.6F463 I464 V465 I469 N470 F471 Y493 F498 D501 A505F463-I467 WeakPolarHBondContact O-CG1 3.37Å; F463-I467 PolarHBondContact O-N 3.1Å; I464-I467 WeakPolarHBondContact O-CB 3.49Å; I464-I467 PolarHBondContact O-N 3.17Å; I464-I467 VanDerWaalsContact O-N 3.15Å; V465-I467 VanDerWaalsContact C-N 3.31Å; V465-I467 PolarHBondContact O-N 3.09Å; I467-I469 VanDerWaalsContact C-N 3.33Å; I467-I469 PolarHBondContact O-N 2.87Å; I467-N470 PolarHBondContact O-N 3.3Å; I467-F471 HydrophobicContact CG2-CD2 3.99Å; I467-F471 HydrophobicContact CG2-CE2 3.76Å; I467-F471 VanDerWaalsContact O-CD2 3.29Å; I467-F471 WeakPolarHBondContact O-CD2 3.1Å; I467-F471 PolarHBondContact O-N 2.98Å; I467-F471 VanDerWaalsContact O-N 3.09Å; I467-Y493 HydrophobicContact CG2-CE1 4.23Å; I467-F498 HydrophobicContact CG2-CD2 4.38Å; I467-F498 HydrophobicContact CG2-CE2 4.15Å; I467-D501 WeakPolarHBondContact CD1-O 3.39Å; I467-D501 HydrophobicContact CG1-CB 4.29Å; I467-A505 HydrophobicContact CD1-CB 3.64Å
468L92.7Very high90.1Very high110 Ų11045.6 Ų45.658%0.57625%0.245SC*.Hα-helixtrans-62.8-39177.9-63.5175.9000112.1I464 V465I464-L468 PolarHBondContact O-N 3.27Å; V465-L468 PolarHBondContact O-N 2.68Å
469I92.4Very high89.3Confident21 Ų2146.3 Ų46.311%0.10825%0.25CC..Hα-helixtrans-63.8-46.2173.2-73.8169.3000110.5I400 K407 W410 V465 D466 I467 F471 R472 T473I400-I469 HydrophobicContact CD1-CG2 4.28Å; K407-I469 HydrophobicContact CD-CG2 4.14Å; W410-I469 HydrophobicContact CD2-CD1 3.9Å; W410-I469 VanDerWaalsContact CE2-CD1 3.47Å; W410-I469 HydrophobicContact CE3-CD1 4.34Å; W410-I469 HydrophobicContact CG-CD1 4.48Å; W410-I469 HydrophobicContact CH2-CD1 4.06Å; W410-I469 HydrophobicContact CZ2-CD1 3.58Å; W410-I469 HydrophobicContact CZ3-CD1 4.41Å; V465-I469 HydrophobicContact CG1-CD1 3.82Å; V465-I469 HydrophobicContact CG1-CG1 4.38Å; V465-I469 WeakPolarHBondContact O-CG1 3.41Å; V465-I469 PolarHBondContact O-N 3.01Å; D466-I469 PolarHBondContact O-N 3.2Å; I467-I469 VanDerWaalsContact C-N 3.33Å; I467-I469 PolarHBondContact O-N 2.87Å; I469-F471 VanDerWaalsContact C-N 3.32Å; I469-F471 PolarHBondContact O-N 3.3Å; I469-R472 CarbonylContact O-C 3.54Å; I469-R472 WeakPolarHBondContact O-CA 3.24Å; I469-R472 PolarHBondContact O-N 3.1Å; I469-T473 HydrophobicContact CG2-CG2 3.79Å; I469-T473 WeakPolarHBondContact O-CG2 3.17Å; I469-T473 PolarHBondContact O-N 2.69Å
470N91Very high88Confident20 Ų2051 Ų5111%0.10727%0.271CS..Hα-helixtrans-62.4-36.4-178.6-70.1-32.5000112.1K407 D466 I467 R472 T473 Y493K407-N470 PolarHBondContact NZ-OD1 3.4Å; D466-N470 WeakPolarHBondContact O-CB 3.47Å; D466-N470 PolarHBondContact O-N 3Å; D466-N470 PolarHBondContact O-ND2 3.26Å; D466-N470 PolarHBondContact OD2-ND2 3.3Å; D466-N470 VanDerWaalsContact OD2-ND2 3.16Å; I467-N470 PolarHBondContact O-N 3.3Å; N470-R472 PolarHBondContact O-N 3.47Å; N470-T473 WeakPolarHBondContact CA-OG1 3.47Å; N470-T473 PolarHBondContact O-N 2.77Å; N470-T473 PolarHBondContact O-OG1 3.01Å; N470-Y493 HydrophobicContact CB-CE1 4.16Å; N470-Y493 HydrophobicContact CB-CE2 4.2Å
471F91.9Very high87.2Confident37 Ų3754.3 Ų54.316%0.16229%0.286CS..THydrogen-bonded Turntrans-60.9-21.2170.2-85.3-67.3000114.7I467 I469 I489 A490 Y493 F494 F498I467-F471 HydrophobicContact CG2-CD2 3.99Å; I467-F471 HydrophobicContact CG2-CE2 3.76Å; I467-F471 VanDerWaalsContact O-CD2 3.29Å; I467-F471 WeakPolarHBondContact O-CD2 3.1Å; I467-F471 PolarHBondContact O-N 2.98Å; I467-F471 VanDerWaalsContact O-N 3.09Å; I469-F471 VanDerWaalsContact C-N 3.32Å; I469-F471 PolarHBondContact O-N 3.3Å; F471-I489 WeakPolarHBondContact O-CG2 3.27Å; F471-A490 HydrophobicContact CD1-CB 3.95Å; F471-A490 HydrophobicContact CE1-CB 4.09Å; F471-Y493 AromaticContact CD1-CD1 3.78Å; F471-Y493 HydrophobicContact CD1-CD1 3.78Å; F471-Y493 HydrophobicContact CD1-CE1 4.41Å; F471-Y493 HydrophobicContact CD2-CD1 4.1Å; F471-Y493 AromaticContact CD2-CE1 3.9Å; F471-Y493 HydrophobicContact CD2-CE1 3.9Å; F471-Y493 AromaticContact CE1-CD1 3.64Å; F471-Y493 HydrophobicContact CE1-CD1 3.64Å; F471-Y493 HydrophobicContact CE1-CE1 4.3Å; F471-Y493 AromaticContact CE2-CD1 3.98Å; F471-Y493 HydrophobicContact CE2-CD1 3.98Å; F471-Y493 AromaticContact CE2-CE1 3.78Å; F471-Y493 HydrophobicContact CE2-CE1 3.78Å; F471-Y493 AromaticContact CG-CD1 3.99Å; F471-Y493 HydrophobicContact CG-CD1 3.99Å; F471-Y493 HydrophobicContact CG-CE1 4.21Å; F471-Y493 AromaticContact CZ-CD1 3.74Å; F471-Y493 HydrophobicContact CZ-CD1 3.74Å; F471-Y493 AromaticContact CZ-CE1 3.98Å; F471-Y493 HydrophobicContact CZ-CE1 3.98Å; F471-F494 HydrophobicContact CE1-CD2 4.09Å; F471-F494 HydrophobicContact CE1-CE1 4.34Å; F471-F494 AromaticContact CE1-CE2 3.62Å; F471-F494 HydrophobicContact CE1-CE2 3.62Å; F471-F494 AromaticContact CE1-CZ 3.76Å; F471-F494 HydrophobicContact CE1-CZ 3.76Å; F471-F494 AromaticContact CZ-CE1 3.95Å; F471-F494 HydrophobicContact CZ-CE1 3.95Å; F471-F494 HydrophobicContact CZ-CE2 4.01Å; F471-F494 AromaticContact CZ-CZ 3.63Å; F471-F494 HydrophobicContact CZ-CZ 3.63Å; F471-F498 AromaticContact CE2-CD2 3.76Å; F471-F498 HydrophobicContact CE2-CD2 3.76Å; F471-F498 AromaticContact CE2-CE2 3.68Å; F471-F498 HydrophobicContact CE2-CE2 3.68Å; F471-F498 AromaticContact CZ-CD2 3.55Å; F471-F498 HydrophobicContact CZ-CD2 3.55Å; F471-F498 AromaticContact CZ-CE2 3.66Å; F471-F498 HydrophobicContact CZ-CE2 3.66Å; F471-F498 HydrophobicContact CZ-CG 4.36Å
472R91.4Very high86.7Confident110 Ų11052 Ų5242%0.41528%0.277SS..THydrogen-bonded Turntrans-107.1-4.3178.4-62.3-56.5-173.482.22.5113.5W398 T399 I400 I469 N470W398-R472 PolarHBondContact O-NH1 3.21Å; T399-R472 CarbonylContact C-O 3.48Å; T399-R472 VanDerWaalsContact CA-O 3.28Å; T399-R472 WeakPolarHBondContact CA-O 3.38Å; T399-R472 VanDerWaalsContact CB-O 3.27Å; T399-R472 WeakPolarHBondContact CB-O 3.24Å; I400-R472 PolarHBondContact N-O 3.29Å; I469-R472 CarbonylContact O-C 3.54Å; I469-R472 WeakPolarHBondContact O-CA 3.24Å; I469-R472 PolarHBondContact O-N 3.1Å; N470-R472 PolarHBondContact O-N 3.47Å
473T90.6Very high86.1Confident18 Ų1850.8 Ų50.811%0.1127%0.271CS..BIsolated β-bridgetrans-84.1134.5178.756.50000112.5I400 K407 I469 N470 I489I400-T473 HydrophobicContact CB-CG2 4.02Å; I400-T473 HydrophobicContact CG2-CG2 4.13Å; I400-T473 CarbonylContact O-C 3.38Å; I400-T473 VanDerWaalsContact O-CA 3.24Å; I400-T473 WeakPolarHBondContact O-CA 3.46Å; K407-T473 HydrophobicContact CD-CG2 3.97Å; K407-T473 HydrophobicContact CG-CG2 4.41Å; I469-T473 HydrophobicContact CG2-CG2 3.79Å; I469-T473 WeakPolarHBondContact O-CG2 3.17Å; I469-T473 PolarHBondContact O-N 2.69Å; N470-T473 WeakPolarHBondContact CA-OG1 3.47Å; N470-T473 PolarHBondContact O-N 2.77Å; N470-T473 PolarHBondContact O-OG1 3.01Å; T473-I489 VanDerWaalsContact O-CG2 3.26Å; T473-I489 WeakPolarHBondContact O-CG2 3.44Å
474T90.2Very high85.7Confident5 Ų552.6 Ų52.63%0.03128%0.284CS..  trans-66.8149.6174.267.20000111.2I400 L401 H402 V482 V483I400-T474 PolarHBondContact O-N 2.91Å; L401-T474 HydrophobicContact CD1-CG2 4.1Å; H402-T474 WeakPolarHBondContact CB-O 3.48Å; H402-T474 PolarHBondContact N-OG1 3.36Å; H402-T474 PolarHBondContact ND1-O 2.87Å; H402-T474 PolarHBondContact ND1-OG1 2.87Å; T474-V482 HydrophobicContact CG2-CG1 4.49Å; T474-V483 WeakPolarHBondContact CA-O 3.36Å; T474-V483 VanDerWaalsContact CB-O 3.25Å; T474-V483 WeakPolarHBondContact CB-O 3.36Å
475Y87Confident85.3Confident46 Ų4654.2 Ų54.218%0.1829%0.289CS..EExtended strand (participates in β ladder)trans-123.9161.7171.574.5-81.5000110.9N477 V483 I489 H492Y475-N477 HydrophobicContact CE2-CB 4.39Å; Y475-V483 HydrophobicContact CD1-CB 4.11Å; Y475-V483 HydrophobicContact CE1-CB 3.68Å; Y475-V483 HydrophobicContact CE1-CG1 3.79Å; Y475-V483 HydrophobicContact CE1-CG2 4.15Å; Y475-V483 HydrophobicContact CE2-CG2 4.3Å; Y475-V483 PolarHBondContact O-N 3.23Å; Y475-I489 HydrophobicContact CD1-CG1 4.07Å; Y475-I489 HydrophobicContact CE1-CG1 4.24Å; Y475-H492 HydrophobicContact CD1-CB 4.45Å; Y475-H492 AromaticContact CD2-CE1 3.7Å; Y475-H492 AromaticContact CD2-ND1 3.78Å; Y475-H492 HydrophobicContact CE1-CB 3.8Å; Y475-H492 AromaticContact CE1-CG 3.94Å; Y475-H492 HydrophobicContact CE2-CB 4.35Å; Y475-H492 AromaticContact CE2-CD2 3.7Å; Y475-H492 AromaticContact CE2-CE1 3.94Å; Y475-H492 AromaticContact CE2-CG 3.73Å; Y475-H492 AromaticContact CE2-ND1 3.88Å; Y475-H492 AromaticContact CE2-NE2 3.84Å; Y475-H492 AromaticContact CG-ND1 3.86Å; Y475-H492 AromaticContact CZ-CD2 3.94Å; Y475-H492 AromaticContact CZ-CG 3.64Å
476V84.6Confident85Confident53 Ų5354 Ų5432%0.32129%0.29SS..EExtended strand (participates in β ladder)trans-94.5124.4173.4-176.20000108H402H402-V476 VanDerWaalsContact CE1-CG2 3.49Å; H402-V476 WeakPolarHBondContact CE1-CG2 3.3Å; H402-V476 WeakPolarHBondContact NE2-CG2 3.46Å
477N81.3Confident84.8Confident57 Ų5756.3 Ų56.331%0.30531%0.314SS..  trans-77167.5177.5-169.723.7000111.2Y475 N479 E480 E481 V483Y475-N477 HydrophobicContact CE2-CB 4.39Å; N477-N479 PolarHBondContact O-N 2.96Å; N477-N479 VanDerWaalsContact O-N 3.1Å; N477-E480 WeakPolarHBondContact O-CA 3.38Å; N477-E480 PolarHBondContact O-N 2.85Å; N477-E481 PolarHBondContact N-O 3.36Å; N477-V483 HydrophobicContact CB-CG2 4.1Å
478A80.2Confident84.6Confident99 Ų9963.1 Ų63.182%0.81834%0.338SS*.THydrogen-bonded Turntrans-59-21.9175.100000113.8E480A478-E480 PolarHBondContact O-N 3.41Å
479N74.4Confident84.5Confident111 Ų11158.1 Ų58.159%0.59431%0.312SS*.THydrogen-bonded Turntrans-76.23.9172-59.4-3.9000113.8N477 E481N477-N479 PolarHBondContact O-N 2.96Å; N477-N479 VanDerWaalsContact O-N 3.1Å; N479-E481 HydrophobicContact CB-CB 4.48Å; N479-E481 HydrophobicContact CB-CG 3.97Å; N479-E481 WeakPolarHBondContact CB-OE2 3.35Å; N479-E481 PolarHBondContact ND2-OE2 3.09Å; N479-E481 PolarHBondContact O-N 2.93Å; N479-E481 VanDerWaalsContact O-N 3.16Å
480E64.4Low84.5Confident103 Ų10358 Ų5848%0.48132%0.315SS..SBendtrans58.514.5-167.9-57.7-162.5142.600115.2R4 G6 H7 N477 A478R4-E480 IonicContact NH1-OE1 2.68Å; R4-E480 PolarHBondContact NH1-OE1 3.29Å; G6-E480 CarbonylContact C-O 3.45Å; G6-E480 VanDerWaalsContact C-O 3.29Å; G6-E480 WeakPolarHBondContact CA-O 3.5Å; H7-E480 PolarHBondContact N-O 2.64Å; N477-E480 WeakPolarHBondContact O-CA 3.38Å; N477-E480 PolarHBondContact O-N 2.85Å; A478-E480 PolarHBondContact O-N 3.41Å
481E73.5Confident84.5Confident73 Ų7362 Ų6234%0.34134%0.339SS..PPolyproline II helixtrans-83.2141.8173.4-62.7173.2123.100112.1N477 N479N477-E481 PolarHBondContact N-O 3.36Å; N479-E481 HydrophobicContact CB-CB 4.48Å; N479-E481 HydrophobicContact CB-CG 3.97Å; N479-E481 WeakPolarHBondContact CB-OE2 3.35Å; N479-E481 PolarHBondContact ND2-OE2 3.09Å; N479-E481 PolarHBondContact O-N 2.93Å; N479-E481 VanDerWaalsContact O-N 3.16Å
482V78.8Confident84.4Confident42 Ų4265 Ų6526%0.25535%0.354SS..EExtended strand (participates in β ladder)trans-86118.5176.6-177.40000111.1G6 T474G6-V482 WeakPolarHBondContact O-CG2 3.2Å; T474-V482 HydrophobicContact CG2-CG1 4.49Å
483V81.5Confident84.5Confident16 Ų1660.7 Ų60.710%0.09734%0.337CS..EExtended strand (participates in β ladder)trans-91.9119.8179.4-177.90000110.7T474 Y475 N477 R488T474-V483 WeakPolarHBondContact CA-O 3.36Å; T474-V483 VanDerWaalsContact CB-O 3.25Å; T474-V483 WeakPolarHBondContact CB-O 3.36Å; Y475-V483 HydrophobicContact CD1-CB 4.11Å; Y475-V483 HydrophobicContact CE1-CB 3.68Å; Y475-V483 HydrophobicContact CE1-CG1 3.79Å; Y475-V483 HydrophobicContact CE1-CG2 4.15Å; Y475-V483 HydrophobicContact CE2-CG2 4.3Å; Y475-V483 PolarHBondContact O-N 3.23Å; N477-V483 HydrophobicContact CB-CG2 4.1Å; V483-R488 HydrophobicContact CG1-CB 3.69Å
484S81.9Confident84.6Confident37 Ų3765.3 Ų65.326%0.25936%0.356SS..  trans-105.5-20.4-175.158.50000115.6
485H83.8Confident84.5Confident108 Ų10874.2 Ų74.250%0.540%0.395SS..  trans-76.7127.9-174.6-60.4-66.6000112.2G487 R488 I489H485-G487 VanDerWaalsContact C-N 3.35Å; H485-G487 PolarHBondContact O-N 2.86Å; H485-R488 PolarHBondContact O-N 2.66Å; H485-R488 VanDerWaalsContact O-N 3.12Å; H485-I489 WeakPolarHBondContact O-CG1 3.28Å; H485-I489 PolarHBondContact O-N 2.9Å; H485-I489 VanDerWaalsContact O-N 3.14Å
486P88.2Confident84.5Confident49 Ų4974 Ų7432%0.31841%0.406SS..Hα-helixtrans-61.7-36.5-172.923.1-33.3000113.6R488 I489 A490P486-R488 VanDerWaalsContact C-N 3.34Å; P486-R488 PolarHBondContact O-N 3.24Å; P486-I489 PolarHBondContact O-N 3.14Å; P486-A490 WeakPolarHBondContact O-CB 3.49Å; P486-A490 PolarHBondContact O-N 2.85Å
487G88.3Confident84.6Confident50 Ų5077.2 Ų77.252%0.51541%0.412SS..Hα-helixtrans-62.3-37.1176.800000113.8H485 V491H485-G487 VanDerWaalsContact C-N 3.35Å; H485-G487 PolarHBondContact O-N 2.86Å; G487-V491 WeakPolarHBondContact O-CG2 3.42Å; G487-V491 PolarHBondContact O-N 2.68Å; G487-V491 VanDerWaalsContact O-N 3.12Å
488R88.5Confident85.1Confident160 Ų16076.3 Ų76.360%0.60441%0.406SS*.Hα-helixtrans-73.9-38.8176.4-64.5-173.3-174.4173.34.4111.6V483 H485 P486 H492V483-R488 HydrophobicContact CG1-CB 3.69Å; H485-R488 PolarHBondContact O-N 2.66Å; H485-R488 VanDerWaalsContact O-N 3.12Å; P486-R488 VanDerWaalsContact C-N 3.34Å; P486-R488 PolarHBondContact O-N 3.24Å; R488-H492 WeakPolarHBondContact O-CB 3.45Å; R488-H492 PolarHBondContact O-N 3.02Å; R488-H492 VanDerWaalsContact O-N 3.07Å
489I90.4Very high85.5Confident5 Ų576.9 Ų76.93%0.02639%0.394CS..Hα-helixtrans-59.3-47.6173.2-65.5162.9000110.3F471 T473 Y475 H485 P486 H492 Y493F471-I489 WeakPolarHBondContact O-CG2 3.27Å; T473-I489 VanDerWaalsContact O-CG2 3.26Å; T473-I489 WeakPolarHBondContact O-CG2 3.44Å; Y475-I489 HydrophobicContact CD1-CG1 4.07Å; Y475-I489 HydrophobicContact CE1-CG1 4.24Å; H485-I489 WeakPolarHBondContact O-CG1 3.28Å; H485-I489 PolarHBondContact O-N 2.9Å; H485-I489 VanDerWaalsContact O-N 3.14Å; P486-I489 PolarHBondContact O-N 3.14Å; I489-H492 PolarHBondContact O-N 3.29Å; I489-Y493 WeakPolarHBondContact O-CB 3.45Å; I489-Y493 PolarHBondContact O-N 3.27Å
490A92Very high86.1Confident20 Ų2074.5 Ų74.517%0.16538%0.381CS..Hα-helixtrans-60.6-51178.500000112.2F471 P486 H492 Y493 F494F471-A490 HydrophobicContact CD1-CB 3.95Å; F471-A490 HydrophobicContact CE1-CB 4.09Å; P486-A490 WeakPolarHBondContact O-CB 3.49Å; P486-A490 PolarHBondContact O-N 2.85Å; A490-H492 VanDerWaalsContact C-N 3.28Å; A490-H492 PolarHBondContact O-N 2.96Å; A490-Y493 PolarHBondContact O-N 3.12Å; A490-Y493 VanDerWaalsContact O-N 3.13Å; A490-F494 HydrophobicContact CB-CD2 4.27Å; A490-F494 HydrophobicContact CB-CE2 4.26Å; A490-F494 WeakPolarHBondContact O-CB 3.28Å; A490-F494 WeakPolarHBondContact O-CD2 3.33Å; A490-F494 PolarHBondContact O-N 2.99Å
491V91.4Very high87.4Confident103 Ų10369.7 Ų69.762%0.62436%0.358SS*.Hα-helixtrans-58.7-39.7178.1170.40000111.9G487 K495G487-V491 WeakPolarHBondContact O-CG2 3.42Å; G487-V491 PolarHBondContact O-N 2.68Å; G487-V491 VanDerWaalsContact O-N 3.12Å; V491-K495 WeakPolarHBondContact O-CB 3.39Å; V491-K495 PolarHBondContact O-N 3.03Å; V491-K495 VanDerWaalsContact O-N 3.12Å
492H90.4Very high88.1Confident101 Ų10169.9 Ų69.947%0.46836%0.36SS..Hα-helixtrans-65.5-42.2175.6-179.1-102.4000112.5Y475 R488 I489 A490 G496Y475-H492 HydrophobicContact CD1-CB 4.45Å; Y475-H492 AromaticContact CD2-CE1 3.7Å; Y475-H492 AromaticContact CD2-ND1 3.78Å; Y475-H492 HydrophobicContact CE1-CB 3.8Å; Y475-H492 AromaticContact CE1-CG 3.94Å; Y475-H492 HydrophobicContact CE2-CB 4.35Å; Y475-H492 AromaticContact CE2-CD2 3.7Å; Y475-H492 AromaticContact CE2-CE1 3.94Å; Y475-H492 AromaticContact CE2-CG 3.73Å; Y475-H492 AromaticContact CE2-ND1 3.88Å; Y475-H492 AromaticContact CE2-NE2 3.84Å; Y475-H492 AromaticContact CG-ND1 3.86Å; Y475-H492 AromaticContact CZ-CD2 3.94Å; Y475-H492 AromaticContact CZ-CG 3.64Å; R488-H492 WeakPolarHBondContact O-CB 3.45Å; R488-H492 PolarHBondContact O-N 3.02Å; R488-H492 VanDerWaalsContact O-N 3.07Å; I489-H492 PolarHBondContact O-N 3.29Å; A490-H492 VanDerWaalsContact C-N 3.28Å; A490-H492 PolarHBondContact O-N 2.96Å; H492-G496 PolarHBondContact O-N 2.77Å
493Y92.3Very high88.5Confident18 Ų1870.3 Ų70.37%0.07136%0.363CS..Hα-helixtrans-71-42.4179.9-174.6-135.6000112.6I467 N470 F471 I489 A490 K495 G496 W497 F498 D501I467-Y493 HydrophobicContact CG2-CE1 4.23Å; N470-Y493 HydrophobicContact CB-CE1 4.16Å; N470-Y493 HydrophobicContact CB-CE2 4.2Å; F471-Y493 AromaticContact CD1-CD1 3.78Å; F471-Y493 HydrophobicContact CD1-CD1 3.78Å; F471-Y493 HydrophobicContact CD1-CE1 4.41Å; F471-Y493 HydrophobicContact CD2-CD1 4.1Å; F471-Y493 AromaticContact CD2-CE1 3.9Å; F471-Y493 HydrophobicContact CD2-CE1 3.9Å; F471-Y493 AromaticContact CE1-CD1 3.64Å; F471-Y493 HydrophobicContact CE1-CD1 3.64Å; F471-Y493 HydrophobicContact CE1-CE1 4.3Å; F471-Y493 AromaticContact CE2-CD1 3.98Å; F471-Y493 HydrophobicContact CE2-CD1 3.98Å; F471-Y493 AromaticContact CE2-CE1 3.78Å; F471-Y493 HydrophobicContact CE2-CE1 3.78Å; F471-Y493 AromaticContact CG-CD1 3.99Å; F471-Y493 HydrophobicContact CG-CD1 3.99Å; F471-Y493 HydrophobicContact CG-CE1 4.21Å; F471-Y493 AromaticContact CZ-CD1 3.74Å; F471-Y493 HydrophobicContact CZ-CD1 3.74Å; F471-Y493 AromaticContact CZ-CE1 3.98Å; F471-Y493 HydrophobicContact CZ-CE1 3.98Å; I489-Y493 WeakPolarHBondContact O-CB 3.45Å; I489-Y493 PolarHBondContact O-N 3.27Å; A490-Y493 PolarHBondContact O-N 3.12Å; A490-Y493 VanDerWaalsContact O-N 3.13Å; Y493-K495 PolarHBondContact O-N 2.99Å; Y493-G496 CarbonylContact O-C 3.58Å; Y493-G496 PolarHBondContact O-N 3.35Å; Y493-W497 HydrophobicContact CE2-CB 4.33Å; Y493-W497 PolarHBondContact O-N 3.32Å; Y493-F498 HydrophobicContact CD1-CB 4.12Å; Y493-F498 HydrophobicContact CD1-CD2 4.18Å; Y493-F498 HydrophobicContact CD2-CB 4.44Å; Y493-F498 HydrophobicContact CE1-CB 4.2Å; Y493-F498 AromaticContact CE1-CD2 3.8Å; Y493-F498 HydrophobicContact CE1-CD2 3.8Å; Y493-F498 HydrophobicContact CE1-CG 4.49Å; Y493-F498 HydrophobicContact CG-CB 4.25Å; Y493-F498 WeakPolarHBondContact O-CB 3.37Å; Y493-F498 PolarHBondContact O-N 2.97Å; Y493-F498 VanDerWaalsContact O-N 3.1Å; Y493-D501 WeakPolarHBondContact CE2-OD2 3.38Å; Y493-D501 PolarHBondContact OH-OD2 2.79Å
494F92.7Very high88.8Confident115 Ų11569.6 Ų69.650%0.50436%0.359SS..Hα-helixtrans-59.8-40.8173.8-82.1-60.1000112.8F471 A490 G496 F498F471-F494 HydrophobicContact CE1-CD2 4.09Å; F471-F494 HydrophobicContact CE1-CE1 4.34Å; F471-F494 AromaticContact CE1-CE2 3.62Å; F471-F494 HydrophobicContact CE1-CE2 3.62Å; F471-F494 AromaticContact CE1-CZ 3.76Å; F471-F494 HydrophobicContact CE1-CZ 3.76Å; F471-F494 AromaticContact CZ-CE1 3.95Å; F471-F494 HydrophobicContact CZ-CE1 3.95Å; F471-F494 HydrophobicContact CZ-CE2 4.01Å; F471-F494 AromaticContact CZ-CZ 3.63Å; F471-F494 HydrophobicContact CZ-CZ 3.63Å; A490-F494 HydrophobicContact CB-CD2 4.27Å; A490-F494 HydrophobicContact CB-CE2 4.26Å; A490-F494 WeakPolarHBondContact O-CB 3.28Å; A490-F494 WeakPolarHBondContact O-CD2 3.33Å; A490-F494 PolarHBondContact O-N 2.99Å; F494-G496 PolarHBondContact O-N 3.01Å; F494-F498 HydrophobicContact CD1-CB 4.25Å; F494-F498 AromaticContact CD1-CD1 3.45Å; F494-F498 HydrophobicContact CD1-CD1 3.45Å; F494-F498 VanDerWaalsContact CD1-CD1 3.45Å; F494-F498 HydrophobicContact CD1-CD2 4.47Å; F494-F498 AromaticContact CD1-CE1 3.89Å; F494-F498 HydrophobicContact CD1-CE1 3.89Å; F494-F498 AromaticContact CD1-CG 3.78Å; F494-F498 HydrophobicContact CD1-CG 3.78Å; F494-F498 AromaticContact CE1-CD1 3.62Å; F494-F498 HydrophobicContact CE1-CD1 3.62Å; F494-F498 HydrophobicContact CE1-CD2 4.3Å; F494-F498 AromaticContact CE1-CE1 3.57Å; F494-F498 HydrophobicContact CE1-CE1 3.57Å; F494-F498 HydrophobicContact CE1-CE2 4.26Å; F494-F498 AromaticContact CE1-CG 3.99Å; F494-F498 HydrophobicContact CE1-CG 3.99Å; F494-F498 AromaticContact CE1-CZ 3.91Å; F494-F498 HydrophobicContact CE1-CZ 3.91Å
495K89.8Confident89Confident193 Ų19368.2 Ų68.284%0.83935%0.35SS*.Hα-helixtrans-70.7-16.9178.9-176.8166-179.9174.80113.7V491 Y493V491-K495 WeakPolarHBondContact O-CB 3.39Å; V491-K495 PolarHBondContact O-N 3.03Å; V491-K495 VanDerWaalsContact O-N 3.12Å; Y493-K495 PolarHBondContact O-N 2.99Å
496G86.4Confident89Confident40 Ų4065.6 Ų65.641%0.41234%0.339SS..THydrogen-bonded Turntrans-117.2-103.7-178.900000112.4H492 Y493 F494H492-G496 PolarHBondContact O-N 2.77Å; Y493-G496 CarbonylContact O-C 3.58Å; Y493-G496 PolarHBondContact O-N 3.35Å; F494-G496 PolarHBondContact O-N 3.01Å
497W87Confident88.7Confident122 Ų12264.9 Ų64.946%0.46233%0.334SS..THydrogen-bonded Turntrans-86-12.7-160.2-58.8103.4000115.8Y493 L499 I500 D501 V533 R537Y493-W497 HydrophobicContact CE2-CB 4.33Å; Y493-W497 PolarHBondContact O-N 3.32Å; W497-L499 VanDerWaalsContact C-N 3.25Å; W497-L499 PolarHBondContact O-N 3.12Å; W497-I500 HydrophobicContact CE3-CD1 4.11Å; W497-I500 HydrophobicContact CZ3-CD1 4.23Å; W497-I500 PolarHBondContact O-N 3.43Å; W497-D501 PolarHBondContact O-N 3.01Å; W497-V533 HydrophobicContact CE3-CG1 4.11Å; W497-V533 HydrophobicContact CZ3-CG1 3.64Å; W497-R537 HydrophobicContact CD2-CG 4.04Å; W497-R537 VanDerWaalsContact CE2-CD 3.49Å; W497-R537 HydrophobicContact CE3-CG 4.18Å; W497-R537 HydrophobicContact CH2-CG 3.96Å; W497-R537 HydrophobicContact CZ2-CG 3.81Å; W497-R537 HydrophobicContact CZ3-CG 4.15Å
498F90.2Very high88Confident37 Ų3764.1 Ų64.116%0.16232%0.317CS..Hα-helixtrans-53.1-41.4-175.7171.7-99.2000112.9I467 F471 Y493 F494 I500 D501 M502I467-F498 HydrophobicContact CG2-CD2 4.38Å; I467-F498 HydrophobicContact CG2-CE2 4.15Å; F471-F498 AromaticContact CE2-CD2 3.76Å; F471-F498 HydrophobicContact CE2-CD2 3.76Å; F471-F498 AromaticContact CE2-CE2 3.68Å; F471-F498 HydrophobicContact CE2-CE2 3.68Å; F471-F498 AromaticContact CZ-CD2 3.55Å; F471-F498 HydrophobicContact CZ-CD2 3.55Å; F471-F498 AromaticContact CZ-CE2 3.66Å; F471-F498 HydrophobicContact CZ-CE2 3.66Å; F471-F498 HydrophobicContact CZ-CG 4.36Å; Y493-F498 HydrophobicContact CD1-CB 4.12Å; Y493-F498 HydrophobicContact CD1-CD2 4.18Å; Y493-F498 HydrophobicContact CD2-CB 4.44Å; Y493-F498 HydrophobicContact CE1-CB 4.2Å; Y493-F498 AromaticContact CE1-CD2 3.8Å; Y493-F498 HydrophobicContact CE1-CD2 3.8Å; Y493-F498 HydrophobicContact CE1-CG 4.49Å; Y493-F498 HydrophobicContact CG-CB 4.25Å; Y493-F498 WeakPolarHBondContact O-CB 3.37Å; Y493-F498 PolarHBondContact O-N 2.97Å; Y493-F498 VanDerWaalsContact O-N 3.1Å; F494-F498 HydrophobicContact CD1-CB 4.25Å; F494-F498 AromaticContact CD1-CD1 3.45Å; F494-F498 HydrophobicContact CD1-CD1 3.45Å; F494-F498 VanDerWaalsContact CD1-CD1 3.45Å; F494-F498 HydrophobicContact CD1-CD2 4.47Å; F494-F498 AromaticContact CD1-CE1 3.89Å; F494-F498 HydrophobicContact CD1-CE1 3.89Å; F494-F498 AromaticContact CD1-CG 3.78Å; F494-F498 HydrophobicContact CD1-CG 3.78Å; F494-F498 AromaticContact CE1-CD1 3.62Å; F494-F498 HydrophobicContact CE1-CD1 3.62Å; F494-F498 HydrophobicContact CE1-CD2 4.3Å; F494-F498 AromaticContact CE1-CE1 3.57Å; F494-F498 HydrophobicContact CE1-CE1 3.57Å; F494-F498 HydrophobicContact CE1-CE2 4.26Å; F494-F498 AromaticContact CE1-CG 3.99Å; F494-F498 HydrophobicContact CE1-CG 3.99Å; F494-F498 AromaticContact CE1-CZ 3.91Å; F494-F498 HydrophobicContact CE1-CZ 3.91Å; F498-I500 PolarHBondContact O-N 2.9Å; F498-D501 PolarHBondContact O-N 3.17Å; F498-M502 HydrophobicContact CE1-CB 4.26Å; F498-M502 HydrophobicContact CE1-CG 4.47Å; F498-M502 HydrophobicContact CE1-SD 3.6Å; F498-M502 HydrophobicContact CE2-CB 4.35Å; F498-M502 HydrophobicContact CZ-CB 4.09Å; F498-M502 HydrophobicContact CZ-CG 4.16Å; F498-M502 HydrophobicContact CZ-SD 3.61Å; F498-M502 WeakPolarHBondContact O-CB 3.24Å; F498-M502 PolarHBondContact O-N 3.24Å
499L89.1Confident87.1Confident111 Ų11157.7 Ų57.758%0.58130%0.295SS*.Hα-helixtrans-60.5-45.5-178-17565.9000112.3W497 M502 V503W497-L499 VanDerWaalsContact C-N 3.25Å; W497-L499 PolarHBondContact O-N 3.12Å; L499-M502 HydrophobicContact CD1-CE 4.07Å; L499-V503 WeakPolarHBondContact O-CG2 2.99Å; L499-V503 PolarHBondContact O-N 2.91Å; L499-V503 VanDerWaalsContact O-N 3.16Å
500I88.5Confident86Confident61 Ų6162 Ų6231%0.31332%0.317SS..Hα-helixtrans-69.6-43.5177.9-58176.8000110W497 F498 M502 V503 A504 V533W497-I500 HydrophobicContact CE3-CD1 4.11Å; W497-I500 HydrophobicContact CZ3-CD1 4.23Å; W497-I500 PolarHBondContact O-N 3.43Å; F498-I500 PolarHBondContact O-N 2.9Å; I500-M502 VanDerWaalsContact C-N 3.29Å; I500-M502 PolarHBondContact O-N 2.97Å; I500-V503 PolarHBondContact O-N 3.42Å; I500-A504 VanDerWaalsContact O-CB 3.25Å; I500-A504 WeakPolarHBondContact O-CB 3.21Å; I500-A504 PolarHBondContact O-N 2.92Å; I500-V533 HydrophobicContact CG2-CB 4.22Å; I500-V533 HydrophobicContact CG2-CG1 4.3Å; I500-V533 HydrophobicContact CG2-CG2 4.25Å
501D89.8Confident84.9Confident2 Ų267.1 Ų67.11%0.01134%0.341CS..Hα-helixtrans-63.1-35.5179.4-80.1-28.2000112.5I467 Y493 W497 F498 A505 R534 R537I467-D501 WeakPolarHBondContact CD1-O 3.39Å; I467-D501 HydrophobicContact CG1-CB 4.29Å; Y493-D501 WeakPolarHBondContact CE2-OD2 3.38Å; Y493-D501 PolarHBondContact OH-OD2 2.79Å; W497-D501 PolarHBondContact O-N 3.01Å; F498-D501 PolarHBondContact O-N 3.17Å; D501-A505 WeakPolarHBondContact O-CB 3.45Å; D501-A505 PolarHBondContact O-N 3.23Å; D501-R534 PolarHBondContact O-NH2 2.95Å; D501-R534 WeakPolarHBondContact OD1-CD 3.34Å; D501-R534 WeakPolarHBondContact OD1-CG 3.37Å; D501-R534 IonicContact OD1-CZ 2.68Å; D501-R534 IonicContact OD1-NE 3.18Å; D501-R534 PolarHBondContact OD1-NE 3.35Å; D501-R534 IonicContact OD1-NH2 3.71Å; D501-R537 IonicContact OD1-CZ 2.93Å; D501-R537 IonicContact OD1-NH1 3.78Å; D501-R537 IonicContact OD1-NH2 2.84Å; D501-R537 PolarHBondContact OD1-NH2 2.84Å; D501-R537 IonicContact OD2-CZ 2.67Å; D501-R537 IonicContact OD2-NH1 3.72Å; D501-R537 PolarHBondContact OD2-NH1 2.87Å; D501-R537 IonicContact OD2-NH2 2.96Å; D501-R537 PolarHBondContact OD2-NH2 3.04Å
502M88.7Confident83.5Confident78 Ų7863.8 Ų63.838%0.38432%0.319SS..Hα-helixtrans-68-53.8176.4-178.2-177.775.800111.7F498 L499 I500 A504 A505F498-M502 HydrophobicContact CE1-CB 4.26Å; F498-M502 HydrophobicContact CE1-CG 4.47Å; F498-M502 HydrophobicContact CE1-SD 3.6Å; F498-M502 HydrophobicContact CE2-CB 4.35Å; F498-M502 HydrophobicContact CZ-CB 4.09Å; F498-M502 HydrophobicContact CZ-CG 4.16Å; F498-M502 HydrophobicContact CZ-SD 3.61Å; F498-M502 WeakPolarHBondContact O-CB 3.24Å; F498-M502 PolarHBondContact O-N 3.24Å; L499-M502 HydrophobicContact CD1-CE 4.07Å; I500-M502 VanDerWaalsContact C-N 3.29Å; I500-M502 PolarHBondContact O-N 2.97Å; M502-A504 PolarHBondContact O-N 3.19Å; M502-A505 PolarHBondContact O-N 3.49Å
503V87.6Confident82.1Confident50 Ų5066.1 Ų66.130%0.30333%0.328SS..Hα-helixtrans-58.8-38.9179174.50000111.1L499 I500 A505 L530L499-V503 WeakPolarHBondContact O-CG2 2.99Å; L499-V503 PolarHBondContact O-N 2.91Å; L499-V503 VanDerWaalsContact O-N 3.16Å; I500-V503 PolarHBondContact O-N 3.42Å; V503-A505 PolarHBondContact O-N 3.03Å; V503-L530 HydrophobicContact CG1-CD1 3.84Å
504A87Confident80.5Confident2 Ų269.2 Ų69.22%0.01737%0.366CS..THydrogen-bonded Turntrans-66-13.6176.600000114.5I500 M502 L530 R531I500-A504 VanDerWaalsContact O-CB 3.25Å; I500-A504 WeakPolarHBondContact O-CB 3.21Å; I500-A504 PolarHBondContact O-N 2.92Å; M502-A504 PolarHBondContact O-N 3.19Å; A504-L530 HydrophobicContact CB-CB 3.96Å; A504-R531 HydrophobicContact CB-CG 3.97Å; A504-R531 PolarHBondContact O-NE 3.42Å; A504-R531 PolarHBondContact O-NH2 3.13Å
505A86.9Confident78.9Confident8 Ų866.7 Ų66.77%0.06636%0.363CS..THydrogen-bonded Turntrans-111.49.3-175.100000114.2F463 I464 I467 D501 M502 V503 P507F463-A505 HydrophobicContact CB-CB 4.37Å; I464-A505 HydrophobicContact CG1-CB 4.21Å; I467-A505 HydrophobicContact CD1-CB 3.64Å; D501-A505 WeakPolarHBondContact O-CB 3.45Å; D501-A505 PolarHBondContact O-N 3.23Å; M502-A505 PolarHBondContact O-N 3.49Å; V503-A505 PolarHBondContact O-N 3.03Å; A505-P507 WeakPolarHBondContact O-CD 3.2Å
506I83.7Confident77.3Confident52 Ų5261.5 Ų61.527%0.26736%0.364SS..  trans-80.2121.8176.4-60.9172.5000109.7F508 L511I506-F508 VanDerWaalsContact C-N 3.34Å; I506-F508 HydrophobicContact CB-CD2 4.32Å; I506-F508 HydrophobicContact CB-CE1 4.17Å; I506-F508 HydrophobicContact CB-CE2 3.81Å; I506-F508 HydrophobicContact CB-CZ 3.73Å; I506-F508 HydrophobicContact CD1-CE1 4.45Å; I506-F508 HydrophobicContact CD1-CZ 4.09Å; I506-F508 HydrophobicContact CG1-CZ 4.48Å; I506-F508 HydrophobicContact CG2-CD1 3.83Å; I506-F508 HydrophobicContact CG2-CD2 4.23Å; I506-F508 HydrophobicContact CG2-CE1 3.65Å; I506-F508 HydrophobicContact CG2-CE2 4.05Å; I506-F508 HydrophobicContact CG2-CG 4.12Å; I506-F508 HydrophobicContact CG2-CZ 3.77Å; I506-F508 VanDerWaalsContact O-CD2 3.25Å; I506-F508 WeakPolarHBondContact O-CD2 3.41Å; I506-F508 PolarHBondContact O-N 3.47Å; I506-L511 HydrophobicContact CG2-CD1 3.57Å
507P81.5Confident76.2Confident35 Ų3561.6 Ų61.623%0.22736%0.358CS..  trans-82.578.1175.433.9-34.1000110.1A505 D509 L510A505-P507 WeakPolarHBondContact O-CD 3.2Å; P507-D509 PolarHBondContact O-N 2.83Å; P507-D509 VanDerWaalsContact O-N 3.13Å; P507-L510 HydrophobicContact CB-CD1 4.25Å; P507-L510 HydrophobicContact CB-CG 4.49Å; P507-L510 HydrophobicContact CG-CD1 4.28Å; P507-L510 PolarHBondContact O-N 3.05Å
508F73.9Confident75Confident33 Ų3361.3 Ų61.315%0.14536%0.362CS..Hα-helixtrans-53.8-33.8-177.4-65-77.6000113.3I506 L510 L511 I512 L524 A527I506-F508 VanDerWaalsContact C-N 3.34Å; I506-F508 HydrophobicContact CB-CD2 4.32Å; I506-F508 HydrophobicContact CB-CE1 4.17Å; I506-F508 HydrophobicContact CB-CE2 3.81Å; I506-F508 HydrophobicContact CB-CZ 3.73Å; I506-F508 HydrophobicContact CD1-CE1 4.45Å; I506-F508 HydrophobicContact CD1-CZ 4.09Å; I506-F508 HydrophobicContact CG1-CZ 4.48Å; I506-F508 HydrophobicContact CG2-CD1 3.83Å; I506-F508 HydrophobicContact CG2-CD2 4.23Å; I506-F508 HydrophobicContact CG2-CE1 3.65Å; I506-F508 HydrophobicContact CG2-CE2 4.05Å; I506-F508 HydrophobicContact CG2-CG 4.12Å; I506-F508 HydrophobicContact CG2-CZ 3.77Å; I506-F508 VanDerWaalsContact O-CD2 3.25Å; I506-F508 WeakPolarHBondContact O-CD2 3.41Å; I506-F508 PolarHBondContact O-N 3.47Å; F508-L510 PolarHBondContact O-N 2.76Å; F508-L511 PolarHBondContact O-N 2.89Å; F508-I512 HydrophobicContact CB-CD1 4.43Å; F508-I512 WeakPolarHBondContact O-CG1 3.33Å; F508-I512 PolarHBondContact O-N 2.91Å; F508-L524 HydrophobicContact CB-CB 4.42Å; F508-L524 HydrophobicContact CE1-CD2 4.49Å; F508-L524 HydrophobicContact CG-CB 4.35Å; F508-A527 HydrophobicContact CE2-CB 3.88Å; F508-A527 HydrophobicContact CZ-CB 4.45Å
509D69.1Low73.8Confident26 Ų2667.3 Ų67.314%0.13939%0.39CS..Hα-helixtrans-51.1-37.3175.3-57.449.3000113.3Y447 P507 K525 R528Y447-D509 PolarHBondContact OH-O 3.09Å; P507-D509 PolarHBondContact O-N 2.83Å; P507-D509 VanDerWaalsContact O-N 3.13Å; D509-K525 VanDerWaalsContact CG-CE 3.46Å; D509-K525 IonicContact OD1-NZ 3.6Å; D509-K525 WeakPolarHBondContact OD2-CE 3.44Å; D509-K525 IonicContact OD2-NZ 2.77Å; D509-K525 PolarHBondContact OD2-NZ 3.47Å; D509-R528 IonicContact OD1-CZ 2.91Å; D509-R528 IonicContact OD1-NH2 3.09Å; D509-R528 PolarHBondContact OD1-NH2 3.26Å; D509-R528 IonicContact OD2-NH2 3.2Å; D509-R528 PolarHBondContact OD2-NH2 3.35Å; D509-R528 VanDerWaalsContact OD2-NH2 3.07Å
510L68Low72.7Confident96 Ų9667 Ų6750%0.50339%0.389SS..Hα-helixtrans-84.6-22.8179.5-63.7177.4000113.2Y447 L457 P507 F508Y447-L510 HydrophobicContact CE2-CD2 4.47Å; L457-L510 HydrophobicContact CD1-CD1 4.09Å; P507-L510 HydrophobicContact CB-CD1 4.25Å; P507-L510 HydrophobicContact CB-CG 4.49Å; P507-L510 HydrophobicContact CG-CD1 4.28Å; P507-L510 PolarHBondContact O-N 3.05Å; F508-L510 PolarHBondContact O-N 2.76Å
511L68.8Low71.7Confident127 Ų12764.7 Ų64.767%0.66538%0.377SS*.Hα-helixtrans-83.8-22.8-177.1-70172.9000113.2I506 F508I506-L511 HydrophobicContact CG2-CD1 3.57Å; F508-L511 PolarHBondContact O-N 2.89Å
512I62.5Low70.6Confident33 Ų3364.7 Ų64.717%0.16938%0.378CS..SBendtrans-118.91.4-167.9-43.7176.9000111.9F508 G514 S515 I521 L524F508-I512 HydrophobicContact CB-CD1 4.43Å; F508-I512 WeakPolarHBondContact O-CG1 3.33Å; F508-I512 PolarHBondContact O-N 2.91Å; I512-G514 PolarHBondContact O-N 2.77Å; I512-S515 PolarHBondContact O-N 3.07Å; I512-I521 HydrophobicContact CB-CD1 4.23Å; I512-I521 HydrophobicContact CB-CG1 3.98Å; I512-I521 HydrophobicContact CG2-CD1 3.8Å; I512-I521 HydrophobicContact CG2-CG1 3.57Å; I512-L524 HydrophobicContact CD1-CD1 3.44Å; I512-L524 VanDerWaalsContact CD1-CD1 3.44Å
513F60Low70Confident149 Ų14966.6 Ų66.665%0.65439%0.388SS*.THydrogen-bonded Turntrans-6511.1177.6-154.1-105.7000115.5Y447Y447-F513 HydrophobicContact CD2-CE1 4.23Å; Y447-F513 HydrophobicContact CD2-CE2 4.33Å; Y447-F513 HydrophobicContact CD2-CZ 4.1Å; Y447-F513 AromaticContact CE2-CD1 3.9Å; Y447-F513 HydrophobicContact CE2-CD1 3.9Å; Y447-F513 AromaticContact CE2-CD2 3.54Å; Y447-F513 HydrophobicContact CE2-CD2 3.54Å; Y447-F513 AromaticContact CE2-CE1 3.87Å; Y447-F513 HydrophobicContact CE2-CE1 3.87Å; Y447-F513 AromaticContact CE2-CE2 3.5Å; Y447-F513 HydrophobicContact CE2-CE2 3.5Å; Y447-F513 AromaticContact CE2-CG 3.74Å; Y447-F513 HydrophobicContact CE2-CG 3.74Å; Y447-F513 AromaticContact CE2-CZ 3.67Å; Y447-F513 HydrophobicContact CE2-CZ 3.67Å; Y447-F513 AromaticContact CZ-CD2 3.83Å; Y447-F513 AromaticContact CZ-CE2 3.89Å; Y447-F513 WeakPolarHBondContact OH-CD2 3Å
514G59.4Low69.5Low84 Ų8467.3 Ų67.387%0.86639%0.39SS*.THydrogen-bonded Turntrans-126.110.8169.700000113.8I512I512-G514 PolarHBondContact O-N 2.77Å
515S59.1Low69.1Low62 Ų6269.7 Ų69.743%0.43440%0.4SS..SBendtrans-128.1101.1-179.3173.70000108.9I512 S517I512-S515 PolarHBondContact O-N 3.07Å; S515-S517 PolarHBondContact O-N 3.49Å; S515-S517 PolarHBondContact O-OG 3.29Å; S515-S517 PolarHBondContact OG-OG 3.07Å
516G56.2Low68.8Low83 Ų8372.5 Ų72.586%0.85642%0.416SS*.  trans-69.264.8-173.400000114.4
517S62.9Low68.9Low42 Ų4271.1 Ų71.129%0.29441%0.413SS..  trans-129.756-178.450.40000109.9S515 E519 L520 I521S515-S517 PolarHBondContact O-N 3.49Å; S515-S517 PolarHBondContact O-OG 3.29Å; S515-S517 PolarHBondContact OG-OG 3.07Å; S517-E519 PolarHBondContact O-N 3.46Å; S517-E519 VanDerWaalsContact O-N 3.11Å; S517-L520 WeakPolarHBondContact O-CA 3.41Å; S517-L520 WeakPolarHBondContact O-CB 3.46Å; S517-L520 PolarHBondContact O-N 3.24Å; S517-I521 PolarHBondContact O-N 3.25Å
518E62.4Low69.1Low116 Ų11669.8 Ų69.854%0.54240%0.403SS..Hα-helixtrans-54.4-32.6-169.7-62-56142.700114.3I521 G522E518-I521 WeakPolarHBondContact O-CB 3.26Å; E518-I521 PolarHBondContact O-N 2.94Å; E518-G522 PolarHBondContact O-N 2.94Å
519E64.4Low69.7Low163 Ų16370.7 Ų70.776%0.76241%0.41SS*.Hα-helixtrans-62.3-44.2173.4-60.2-169.5147.200112.6S517 G522 L523S517-E519 PolarHBondContact O-N 3.46Å; S517-E519 VanDerWaalsContact O-N 3.11Å; E519-G522 PolarHBondContact O-N 3.29Å; E519-L523 PolarHBondContact O-N 3.11Å; E519-L523 VanDerWaalsContact O-N 3.11Å
520L67.2Low70.6Confident106 Ų10672.8 Ų72.856%0.55542%0.42SS*.Hα-helixtrans-68.3-37.2175.2-107.973.8000111.3S517 G522 L523 L524S517-L520 WeakPolarHBondContact O-CA 3.41Å; S517-L520 WeakPolarHBondContact O-CB 3.46Å; S517-L520 PolarHBondContact O-N 3.24Å; L520-G522 VanDerWaalsContact C-N 3.34Å; L520-L523 PolarHBondContact O-N 3.37Å; L520-L524 WeakPolarHBondContact O-CB 3.46Å; L520-L524 WeakPolarHBondContact O-CD1 3.38Å; L520-L524 WeakPolarHBondContact O-CG 3.33Å; L520-L524 PolarHBondContact O-N 3.49Å
521I67.5Low71.6Confident12 Ų1268.3 Ų68.36%0.06240%0.397CS..Hα-helixtrans-59.7-46.2174.9-68.1169.4000110I512 S517 E518 L524 K525I512-I521 HydrophobicContact CB-CD1 4.23Å; I512-I521 HydrophobicContact CB-CG1 3.98Å; I512-I521 HydrophobicContact CG2-CD1 3.8Å; I512-I521 HydrophobicContact CG2-CG1 3.57Å; S517-I521 PolarHBondContact O-N 3.25Å; E518-I521 WeakPolarHBondContact O-CB 3.26Å; E518-I521 PolarHBondContact O-N 2.94Å; I521-L524 PolarHBondContact O-N 2.8Å; I521-K525 WeakPolarHBondContact O-CG 3.43Å; I521-K525 PolarHBondContact O-N 3.45Å
522G67.2Low72.5Confident2 Ų264.3 Ų64.32%0.02138%0.376CS..Hα-helixtrans-58.5-46.9175.100000113.1E518 E519 L520 K525E518-G522 PolarHBondContact O-N 2.94Å; E519-G522 PolarHBondContact O-N 3.29Å; L520-G522 VanDerWaalsContact C-N 3.34Å; G522-K525 PolarHBondContact O-N 3.27Å
523L74.2Confident73.6Confident117 Ų11764.7 Ų64.761%0.61338%0.38SS*.Hα-helixtrans-64.4-40177.4-76164000112.7E519 L520 K525 T526E519-L523 PolarHBondContact O-N 3.11Å; E519-L523 VanDerWaalsContact O-N 3.11Å; L520-L523 PolarHBondContact O-N 3.37Å; L523-K525 VanDerWaalsContact C-N 3.3Å; L523-K525 PolarHBondContact O-N 3.41Å; L523-T526 VanDerWaalsContact O-CB 3.31Å; L523-T526 WeakPolarHBondContact O-CB 3.36Å; L523-T526 WeakPolarHBondContact O-CG2 3.3Å; L523-T526 PolarHBondContact O-N 3.04Å; L523-T526 PolarHBondContact O-OG1 3.35Å
524L77.4Confident74.8Confident65 Ų6557.7 Ų57.734%0.3435%0.349SS..Hα-helixtrans-65.7-30.3178.8-77.5161.8000112.7F508 I512 L520 I521 T526 A527F508-L524 HydrophobicContact CB-CB 4.42Å; F508-L524 HydrophobicContact CE1-CD2 4.49Å; F508-L524 HydrophobicContact CG-CB 4.35Å; I512-L524 HydrophobicContact CD1-CD1 3.44Å; I512-L524 VanDerWaalsContact CD1-CD1 3.44Å; L520-L524 WeakPolarHBondContact O-CB 3.46Å; L520-L524 WeakPolarHBondContact O-CD1 3.38Å; L520-L524 WeakPolarHBondContact O-CG 3.33Å; L520-L524 PolarHBondContact O-N 3.49Å; I521-L524 PolarHBondContact O-N 2.8Å; L524-T526 PolarHBondContact O-N 3.3Å; L524-A527 VanDerWaalsContact O-CB 3.29Å; L524-A527 WeakPolarHBondContact O-CB 3.46Å; L524-A527 PolarHBondContact O-N 3.22Å; L524-A527 VanDerWaalsContact O-N 3.1Å
525K79.2Confident75.9Confident53 Ų5354.8 Ų54.823%0.2331%0.314CS..Hα-helixtrans-62.6-20.8172.3-66.1-179.1-155.6-159.20113D509 I521 G522 L523 A527 R528D509-K525 VanDerWaalsContact CG-CE 3.46Å; D509-K525 IonicContact OD1-NZ 3.6Å; D509-K525 WeakPolarHBondContact OD2-CE 3.44Å; D509-K525 IonicContact OD2-NZ 2.77Å; D509-K525 PolarHBondContact OD2-NZ 3.47Å; I521-K525 WeakPolarHBondContact O-CG 3.43Å; I521-K525 PolarHBondContact O-N 3.45Å; G522-K525 PolarHBondContact O-N 3.27Å; L523-K525 VanDerWaalsContact C-N 3.3Å; L523-K525 PolarHBondContact O-N 3.41Å; K525-A527 PolarHBondContact O-N 3.43Å; K525-R528 VanDerWaalsContact O-CB 3.3Å; K525-R528 WeakPolarHBondContact O-CB 3.18Å; K525-R528 VanDerWaalsContact O-CG 3.29Å; K525-R528 WeakPolarHBondContact O-CG 3.46Å; K525-R528 PolarHBondContact O-N 3.19Å; K525-R528 VanDerWaalsContact O-N 3.17Å
526T81.2Confident77Confident66 Ų6654.9 Ų54.941%0.40532%0.319SS..G310 helixtrans-65-23174.671.60000112.9L523 L524 R528 L529L523-T526 VanDerWaalsContact O-CB 3.31Å; L523-T526 WeakPolarHBondContact O-CB 3.36Å; L523-T526 WeakPolarHBondContact O-CG2 3.3Å; L523-T526 PolarHBondContact O-N 3.04Å; L523-T526 PolarHBondContact O-OG1 3.35Å; L524-T526 PolarHBondContact O-N 3.3Å; T526-R528 PolarHBondContact O-N 3.34Å; T526-R528 VanDerWaalsContact O-N 3.09Å; T526-L529 VanDerWaalsContact O-CB 3.28Å; T526-L529 WeakPolarHBondContact O-CB 3.3Å; T526-L529 WeakPolarHBondContact O-CG 3.21Å; T526-L529 PolarHBondContact O-N 2.91Å
527A84.1Confident78.1Confident23 Ų2354.2 Ų54.219%0.1929%0.291CS..G310 helixtrans-59.2-22.7174.300000112.9F508 L524 K525 L529 L530F508-A527 HydrophobicContact CE2-CB 3.88Å; F508-A527 HydrophobicContact CZ-CB 4.45Å; L524-A527 VanDerWaalsContact O-CB 3.29Å; L524-A527 WeakPolarHBondContact O-CB 3.46Å; L524-A527 PolarHBondContact O-N 3.22Å; L524-A527 VanDerWaalsContact O-N 3.1Å; K525-A527 PolarHBondContact O-N 3.43Å; A527-L529 PolarHBondContact O-N 3.25Å; A527-L530 VanDerWaalsContact O-CB 3.29Å; A527-L530 WeakPolarHBondContact O-CB 3.38Å; A527-L530 VanDerWaalsContact O-CG 3.3Å; A527-L530 WeakPolarHBondContact O-CG 3.47Å; A527-L530 PolarHBondContact O-N 2.97Å; A527-L530 VanDerWaalsContact O-N 3.12Å
528R86.6Confident78.7Confident8 Ų853.4 Ų53.43%0.0328%0.282CS..G310 helixtrans-60.6-22.8171.6-60.9179.3-178.1-177.38.8112.7T425 D456 D509 K525 T526 L530 R531T425-R528 HydrophobicContact CG2-CB 3.87Å; T425-R528 HydrophobicContact CG2-CG 4.42Å; D456-R528 VanDerWaalsContact CG-NH1 3.35Å; D456-R528 IonicContact OD2-CZ 3.15Å; D456-R528 IonicContact OD2-NH1 2.66Å; D456-R528 PolarHBondContact OD2-NH1 2.86Å; D456-R528 IonicContact OD2-NH2 2.78Å; D509-R528 IonicContact OD1-CZ 2.91Å; D509-R528 IonicContact OD1-NH2 3.09Å; D509-R528 PolarHBondContact OD1-NH2 3.26Å; D509-R528 IonicContact OD2-NH2 3.2Å; D509-R528 PolarHBondContact OD2-NH2 3.35Å; D509-R528 VanDerWaalsContact OD2-NH2 3.07Å; K525-R528 VanDerWaalsContact O-CB 3.3Å; K525-R528 WeakPolarHBondContact O-CB 3.18Å; K525-R528 VanDerWaalsContact O-CG 3.29Å; K525-R528 WeakPolarHBondContact O-CG 3.46Å; K525-R528 PolarHBondContact O-N 3.19Å; K525-R528 VanDerWaalsContact O-N 3.17Å; T526-R528 PolarHBondContact O-N 3.34Å; T526-R528 VanDerWaalsContact O-N 3.09Å; R528-L530 PolarHBondContact O-N 3.49Å; R528-R531 WeakPolarHBondContact O-CB 3.13Å; R528-R531 WeakPolarHBondContact O-CD 3.49Å; R528-R531 WeakPolarHBondContact O-CG 2.9Å; R528-R531 PolarHBondContact O-N 3.11Å; R528-R531 VanDerWaalsContact O-N 3.08Å
529L86.8Confident79.4Confident52 Ų5252 Ų5227%0.27228%0.277SS..G310 helixtrans-63.6-21.5174.9-69.6166.6000113.1P426 T526 A527 R531 L532 W563P426-L529 HydrophobicContact CG-CD2 4.08Å; T526-L529 VanDerWaalsContact O-CB 3.28Å; T526-L529 WeakPolarHBondContact O-CB 3.3Å; T526-L529 WeakPolarHBondContact O-CG 3.21Å; T526-L529 PolarHBondContact O-N 2.91Å; A527-L529 PolarHBondContact O-N 3.25Å; L529-R531 PolarHBondContact O-N 3.11Å; L529-L532 WeakPolarHBondContact O-CB 3.47Å; L529-L532 PolarHBondContact O-N 3.03Å; L529-W563 HydrophobicContact CD2-CZ2 3.99Å
530L87.7Confident79.8Confident70 Ų7050.6 Ų50.637%0.36628%0.275SS..G310 helixtrans-58.9-18.3172.4-63.3173.5000112.8V503 A504 A527 R528 L532 V533V503-L530 HydrophobicContact CG1-CD1 3.84Å; A504-L530 HydrophobicContact CB-CB 3.96Å; A527-L530 VanDerWaalsContact O-CB 3.29Å; A527-L530 WeakPolarHBondContact O-CB 3.38Å; A527-L530 VanDerWaalsContact O-CG 3.3Å; A527-L530 WeakPolarHBondContact O-CG 3.47Å; A527-L530 PolarHBondContact O-N 2.97Å; A527-L530 VanDerWaalsContact O-N 3.12Å; R528-L530 PolarHBondContact O-N 3.49Å; L530-L532 PolarHBondContact O-N 3.08Å; L530-L532 VanDerWaalsContact O-N 3.16Å; L530-V533 WeakPolarHBondContact O-CB 3.29Å; L530-V533 WeakPolarHBondContact O-CG2 3.37Å; L530-V533 PolarHBondContact O-N 2.94Å
531R89.4Confident80.2Confident1 Ų148.7 Ų48.70%0.00426%0.261CS..G310 helixtrans-57.2-25.3171.9-65167.6-173.5-171.41.8112.5V418 D460 F463 A504 R528 L529 V533 R534V418-R531 HydrophobicContact CG1-CB 4.47Å; V418-R531 HydrophobicContact CG2-CB 4.27Å; D460-R531 IonicContact OD1-CZ 3.17Å; D460-R531 IonicContact OD1-NH1 3.97Å; D460-R531 PolarHBondContact OD1-NH1 2.87Å; D460-R531 IonicContact OD1-NH2 2.69Å; D460-R531 PolarHBondContact OD1-NH2 3.28Å; D460-R531 IonicContact OD2-NH2 2.76Å; D460-R531 PolarHBondContact OD2-NH2 3.43Å; D460-R531 VanDerWaalsContact OD2-NH2 3.17Å; F463-R531 HydrophobicContact CD1-CG 4.46Å; F463-R531 HydrophobicContact CD2-CG 4.49Å; F463-R531 HydrophobicContact CE1-CB 4.3Å; F463-R531 HydrophobicContact CE1-CG 4.25Å; F463-R531 HydrophobicContact CE2-CG 4.3Å; F463-R531 HydrophobicContact CZ-CB 4.19Å; F463-R531 HydrophobicContact CZ-CG 4.17Å; A504-R531 HydrophobicContact CB-CG 3.97Å; A504-R531 PolarHBondContact O-NE 3.42Å; A504-R531 PolarHBondContact O-NH2 3.13Å; R528-R531 WeakPolarHBondContact O-CB 3.13Å; R528-R531 WeakPolarHBondContact O-CD 3.49Å; R528-R531 WeakPolarHBondContact O-CG 2.9Å; R528-R531 PolarHBondContact O-N 3.11Å; R528-R531 VanDerWaalsContact O-N 3.08Å; L529-R531 PolarHBondContact O-N 3.11Å; R531-V533 VanDerWaalsContact C-N 3.26Å; R531-V533 PolarHBondContact O-N 3.25Å; R531-R534 VanDerWaalsContact O-CB 3.26Å; R531-R534 WeakPolarHBondContact O-CB 3.41Å; R531-R534 WeakPolarHBondContact O-CG 3.49Å; R531-R534 PolarHBondContact O-N 3.06Å
532L86.6Confident80.5Confident43 Ų4348.3 Ų48.323%0.22526%0.258CS..G310 helixtrans-65.3-23.4174.3-78.8162.5000114.5V418 A422 L529 L530 R534 V535 A536 W563V418-L532 HydrophobicContact CG1-CB 4.47Å; V418-L532 HydrophobicContact CG1-CD2 3.61Å; V418-L532 HydrophobicContact CG1-CG 3.89Å; A422-L532 HydrophobicContact CB-CD1 3.88Å; A422-L532 HydrophobicContact CB-CD2 4.18Å; A422-L532 HydrophobicContact CB-CG 4.24Å; L529-L532 WeakPolarHBondContact O-CB 3.47Å; L529-L532 PolarHBondContact O-N 3.03Å; L530-L532 PolarHBondContact O-N 3.08Å; L530-L532 VanDerWaalsContact O-N 3.16Å; L532-R534 PolarHBondContact O-N 3.26Å; L532-R534 VanDerWaalsContact O-N 3.16Å; L532-V535 HydrophobicContact CD2-CG2 4.21Å; L532-V535 WeakPolarHBondContact O-CB 3.47Å; L532-V535 PolarHBondContact O-N 3.2Å; L532-A536 PolarHBondContact O-N 2.78Å; L532-W563 HydrophobicContact CD1-CH2 3.56Å; L532-W563 HydrophobicContact CD1-CZ2 3.45Å; L532-W563 VanDerWaalsContact CD1-CZ2 3.45Å
533V86.7Confident80.8Confident42 Ų4250.7 Ų50.726%0.25528%0.275SS..Hα-helixtrans-60.6-26171.9-175.60000110.8W497 I500 L530 R531 V535 A536 R537W497-V533 HydrophobicContact CE3-CG1 4.11Å; W497-V533 HydrophobicContact CZ3-CG1 3.64Å; I500-V533 HydrophobicContact CG2-CB 4.22Å; I500-V533 HydrophobicContact CG2-CG1 4.3Å; I500-V533 HydrophobicContact CG2-CG2 4.25Å; L530-V533 WeakPolarHBondContact O-CB 3.29Å; L530-V533 WeakPolarHBondContact O-CG2 3.37Å; L530-V533 PolarHBondContact O-N 2.94Å; R531-V533 VanDerWaalsContact C-N 3.26Å; R531-V533 PolarHBondContact O-N 3.25Å; V533-V535 PolarHBondContact O-N 3.47Å; V533-A536 PolarHBondContact O-N 3.41Å; V533-R537 WeakPolarHBondContact O-CG 3.36Å; V533-R537 PolarHBondContact O-N 3.17Å
534R85.4Confident80.7Confident2 Ų247.9 Ų47.91%0.00826%0.259CS..Hα-helixtrans-65.2-24.3173-50.7-152.9175.5-17712.2113.2V418 F463 D466 D501 R531 L532V418-R534 HydrophobicContact CG2-CB 4.49Å; F463-R534 PolarHBondContact O-NH1 3.26Å; D466-R534 IonicContact OD2-CZ 3.5Å; D466-R534 IonicContact OD2-NH1 3.74Å; D466-R534 PolarHBondContact OD2-NH1 3.41Å; D501-R534 PolarHBondContact O-NH2 2.95Å; D501-R534 WeakPolarHBondContact OD1-CD 3.34Å; D501-R534 WeakPolarHBondContact OD1-CG 3.37Å; D501-R534 IonicContact OD1-CZ 2.68Å; D501-R534 IonicContact OD1-NE 3.18Å; D501-R534 PolarHBondContact OD1-NE 3.35Å; D501-R534 IonicContact OD1-NH2 3.71Å; R531-R534 VanDerWaalsContact O-CB 3.26Å; R531-R534 WeakPolarHBondContact O-CB 3.41Å; R531-R534 WeakPolarHBondContact O-CG 3.49Å; R531-R534 PolarHBondContact O-N 3.06Å; L532-R534 PolarHBondContact O-N 3.26Å; L532-R534 VanDerWaalsContact O-N 3.16Å
535V82.3Confident80.5Confident23 Ų2349.9 Ų49.914%0.13926%0.263CS..Hα-helixtrans-78.5-45.2174.7-172.70000110.8L415 V418 L532 V533 R537 K538 L539L415-V535 HydrophobicContact CD1-CB 4.32Å; L415-V535 HydrophobicContact CD1-CG1 3.78Å; L415-V535 HydrophobicContact CD1-CG2 3.65Å; V418-V535 HydrophobicContact CB-CG2 4.22Å; V418-V535 HydrophobicContact CG1-CG2 3.68Å; L532-V535 HydrophobicContact CD2-CG2 4.21Å; L532-V535 WeakPolarHBondContact O-CB 3.47Å; L532-V535 PolarHBondContact O-N 3.2Å; V533-V535 PolarHBondContact O-N 3.47Å; V535-R537 VanDerWaalsContact C-N 3.3Å; V535-R537 PolarHBondContact O-N 2.85Å; V535-K538 CarbonylContact O-C 3.45Å; V535-K538 WeakPolarHBondContact O-CA 3.24Å; V535-K538 PolarHBondContact O-N 2.82Å; V535-L539 PolarHBondContact O-N 2.82Å
536A81.1Confident80.4Confident64 Ų6448.3 Ų48.353%0.52926%0.261SS..Hα-helixtrans-54.6-44.8178.600000112L532 V533 K538 L539L532-A536 PolarHBondContact O-N 2.78Å; V533-A536 PolarHBondContact O-N 3.41Å; A536-K538 PolarHBondContact O-N 2.96Å; A536-K538 VanDerWaalsContact O-N 3.13Å; A536-L539 VanDerWaalsContact O-CB 3.29Å; A536-L539 WeakPolarHBondContact O-CB 3.21Å; A536-L539 PolarHBondContact O-N 3.48Å; A536-L539 VanDerWaalsContact O-N 3.13Å
537R79.8Confident80.2Confident69 Ų6949.1 Ų49.126%0.2628%0.275SS..THydrogen-bonded Turntrans-61.4-18.8174.8-63.7-175.2-57.1178.5-10.8115.1W497 D501 V533 V535W497-R537 HydrophobicContact CD2-CG 4.04Å; W497-R537 VanDerWaalsContact CE2-CD 3.49Å; W497-R537 HydrophobicContact CE3-CG 4.18Å; W497-R537 HydrophobicContact CH2-CG 3.96Å; W497-R537 HydrophobicContact CZ2-CG 3.81Å; W497-R537 HydrophobicContact CZ3-CG 4.15Å; D501-R537 IonicContact OD1-CZ 2.93Å; D501-R537 IonicContact OD1-NH1 3.78Å; D501-R537 IonicContact OD1-NH2 2.84Å; D501-R537 PolarHBondContact OD1-NH2 2.84Å; D501-R537 IonicContact OD2-CZ 2.67Å; D501-R537 IonicContact OD2-NH1 3.72Å; D501-R537 PolarHBondContact OD2-NH1 2.87Å; D501-R537 IonicContact OD2-NH2 2.96Å; D501-R537 PolarHBondContact OD2-NH2 3.04Å; V533-R537 WeakPolarHBondContact O-CG 3.36Å; V533-R537 PolarHBondContact O-N 3.17Å; V535-R537 VanDerWaalsContact C-N 3.3Å; V535-R537 PolarHBondContact O-N 2.85Å
538K75Confident80Confident24 Ų2449 Ų4910%0.10427%0.274CS..THydrogen-bonded Turntrans-106.9-4.4-179.6-67.1174.3176.8178.10112.4D411 V535 A536 D540 R541 Y542D411-K538 HydrophobicContact CB-CD 4.36Å; D411-K538 VanDerWaalsContact CG-CE 3.46Å; D411-K538 VanDerWaalsContact CG-NZ 3.32Å; D411-K538 PolarHBondContact O-NZ 3.22Å; D411-K538 WeakPolarHBondContact OD1-CE 3.5Å; D411-K538 IonicContact OD1-NZ 2.8Å; D411-K538 PolarHBondContact OD1-NZ 3.33Å; V535-K538 CarbonylContact O-C 3.45Å; V535-K538 WeakPolarHBondContact O-CA 3.24Å; V535-K538 PolarHBondContact O-N 2.82Å; A536-K538 PolarHBondContact O-N 2.96Å; A536-K538 VanDerWaalsContact O-N 3.13Å; K538-D540 VanDerWaalsContact C-N 3.29Å; K538-D540 PolarHBondContact O-N 3.36Å; K538-R541 WeakPolarHBondContact O-CB 3.21Å; K538-R541 PolarHBondContact O-N 3.12Å; K538-Y542 HydrophobicContact CB-CD2 4.21Å; K538-Y542 HydrophobicContact CB-CE2 3.54Å; K538-Y542 WeakPolarHBondContact O-CD2 3.5Å; K538-Y542 PolarHBondContact O-N 2.97Å
539L77.7Confident79.7Confident87 Ų8750.4 Ų50.446%0.45528%0.283SS..Hα-helixtrans-57.9-40.7-173.7-171.862.5000112.1V535 A536 R541 Y542 S543 L552V535-L539 PolarHBondContact O-N 2.82Å; A536-L539 VanDerWaalsContact O-CB 3.29Å; A536-L539 WeakPolarHBondContact O-CB 3.21Å; A536-L539 PolarHBondContact O-N 3.48Å; A536-L539 VanDerWaalsContact O-N 3.13Å; L539-R541 PolarHBondContact O-N 2.83Å; L539-Y542 PolarHBondContact O-N 2.7Å; L539-S543 WeakPolarHBondContact O-CB 3.36Å; L539-S543 PolarHBondContact O-N 3.21Å; L539-S543 PolarHBondContact O-OG 2.96Å; L539-L552 HydrophobicContact CD1-CD1 3.94Å
540D73.5Confident79.5Confident134 Ų13451 Ų5172%0.71729%0.286SS*.Hα-helixtrans-56.7-29.9174.5-69.9-9.4000114K538 S543K538-D540 VanDerWaalsContact C-N 3.29Å; K538-D540 PolarHBondContact O-N 3.36Å; D540-S543 WeakPolarHBondContact CA-OG 3.28Å; D540-S543 PolarHBondContact O-OG 3.21Å
541R74Confident79.3Confident66 Ų6653.5 Ų53.525%0.24929%0.294CS..Hα-helixtrans-78.8-35.4177.4-170-172.6-61.6170.43.6111.4V3 D411 K538 L539V3-R541 HydrophobicContact CG2-CG 3.94Å; D411-R541 IonicContact OD2-CZ 3.16Å; D411-R541 IonicContact OD2-NH1 2.76Å; D411-R541 PolarHBondContact OD2-NH1 3.38Å; D411-R541 IonicContact OD2-NH2 3.8Å; D411-R541 PolarHBondContact OD2-NH2 2.94Å; K538-R541 WeakPolarHBondContact O-CB 3.21Å; K538-R541 PolarHBondContact O-N 3.12Å; L539-R541 PolarHBondContact O-N 2.83Å
542Y75.3Confident79Confident3 Ų354.5 Ų54.51%0.01230%0.3CS..Hα-helixtrans-79.5-34.4179.4-55.7-48.4000111.7D411 W412 L415 K538 L539 E544 Y545 L552D411-Y542 PolarHBondContact O-OH 2.81Å; W412-Y542 HydrophobicContact CD2-CE1 4.29Å; W412-Y542 HydrophobicContact CE3-CE1 4.26Å; W412-Y542 AromaticContact CH2-CD1 3.79Å; W412-Y542 HydrophobicContact CH2-CD1 3.79Å; W412-Y542 AromaticContact CH2-CE1 3.8Å; W412-Y542 HydrophobicContact CH2-CE1 3.8Å; W412-Y542 AromaticContact CZ2-CD1 3.97Å; W412-Y542 HydrophobicContact CZ2-CD1 3.97Å; W412-Y542 AromaticContact CZ2-CE1 3.82Å; W412-Y542 HydrophobicContact CZ2-CE1 3.82Å; W412-Y542 HydrophobicContact CZ3-CD1 4.34Å; W412-Y542 HydrophobicContact CZ3-CE1 4.02Å; L415-Y542 HydrophobicContact CD1-CE2 4.39Å; L415-Y542 HydrophobicContact CD2-CE1 4.37Å; L415-Y542 HydrophobicContact CD2-CE2 4.08Å; K538-Y542 HydrophobicContact CB-CD2 4.21Å; K538-Y542 HydrophobicContact CB-CE2 3.54Å; K538-Y542 WeakPolarHBondContact O-CD2 3.5Å; K538-Y542 PolarHBondContact O-N 2.97Å; L539-Y542 PolarHBondContact O-N 2.7Å; Y542-E544 PolarHBondContact O-N 2.76Å; Y542-Y545 PolarHBondContact O-N 2.77Å; Y542-L552 HydrophobicContact CD2-CD1 4.09Å; Y542-L552 HydrophobicContact CG-CD1 4.17Å
543S72Confident78.9Confident53 Ų5353.9 Ų53.937%0.37130%0.296SS..THydrogen-bonded Turntrans-68.3-16-178.567.60000114.7L539 D540 Y545L539-S543 WeakPolarHBondContact O-CB 3.36Å; L539-S543 PolarHBondContact O-N 3.21Å; L539-S543 PolarHBondContact O-OG 2.96Å; D540-S543 WeakPolarHBondContact CA-OG 3.28Å; D540-S543 PolarHBondContact O-OG 3.21Å; S543-Y545 PolarHBondContact O-N 3.32Å
544E72.9Confident78.9Confident58 Ų5855.6 Ų55.627%0.27130%0.302SS..THydrogen-bonded Turntrans-59.4-29168.1-65.7-163.2161.200112.9M1 Y542M1-E544 VanDerWaalsContact CA-OE2 3.28Å; M1-E544 WeakPolarHBondContact CA-OE2 3.39Å; M1-E544 VanDerWaalsContact CB-OE2 3.29Å; M1-E544 WeakPolarHBondContact CB-OE2 3.49Å; M1-E544 PolarHBondContact N-OE2 3.19Å; Y542-E544 PolarHBondContact O-N 2.76Å
545Y74.1Confident79Confident107 Ų10756.6 Ų56.642%0.4231%0.31SS..SBendtrans-106105.7-175.4-59.1-87.3000110.1M1 Y542 S543 A547 A548 V549M1-Y545 PolarHBondContact N-OH 3.33Å; M1-Y545 PolarHBondContact O-OH 3.23Å; M1-Y545 VanDerWaalsContact O-OH 3.06Å; Y542-Y545 PolarHBondContact O-N 2.77Å; S543-Y545 PolarHBondContact O-N 3.32Å; Y545-A547 VanDerWaalsContact C-N 3.26Å; Y545-A547 PolarHBondContact O-N 2.9Å; Y545-A547 VanDerWaalsContact O-N 3.15Å; Y545-A548 WeakPolarHBondContact O-CA 3.28Å; Y545-A548 WeakPolarHBondContact O-CB 3.5Å; Y545-A548 PolarHBondContact O-N 2.8Å; Y545-V549 PolarHBondContact O-N 3.05Å; Y545-V549 VanDerWaalsContact O-N 3.11Å
546G76Confident79.3Confident20 Ų2058.4 Ų58.421%0.20632%0.321CS..Hα-helixtrans-55.8-35.5-175.100000114.8V549 L550G546-V549 WeakPolarHBondContact O-CB 3.36Å; G546-V549 PolarHBondContact O-N 3.19Å; G546-L550 PolarHBondContact O-N 3.12Å
547A77.6Confident79.8Confident83 Ų8356.8 Ų56.869%0.68630%0.302SS*.Hα-helixtrans-68.2-32.2174.100000113.2Y545 L550 F551Y545-A547 VanDerWaalsContact C-N 3.26Å; Y545-A547 PolarHBondContact O-N 2.9Å; Y545-A547 VanDerWaalsContact O-N 3.15Å; A547-L550 PolarHBondContact O-N 3.11Å; A547-F551 PolarHBondContact O-N 3.5Å
548A79Confident80.3Confident20 Ų2055.7 Ų55.717%0.16531%0.307CS..Hα-helixtrans-73.3-30.9175.200000111.8Y545 F551 L552Y545-A548 WeakPolarHBondContact O-CA 3.28Å; Y545-A548 WeakPolarHBondContact O-CB 3.5Å; Y545-A548 PolarHBondContact O-N 2.8Å; A548-F551 PolarHBondContact O-N 2.84Å; A548-L552 WeakPolarHBondContact O-CB 3.31Å; A548-L552 VanDerWaalsContact O-CG 3.29Å; A548-L552 WeakPolarHBondContact O-CG 3.08Å; A548-L552 PolarHBondContact O-N 3.07Å
549V80.6Confident81.2Confident37 Ų3755.2 Ų55.222%0.22431%0.306CS..Hα-helixtrans-60.5-47.3169-1800000110.4Y545 G546 L552 L553 I662Y545-V549 PolarHBondContact O-N 3.05Å; Y545-V549 VanDerWaalsContact O-N 3.11Å; G546-V549 WeakPolarHBondContact O-CB 3.36Å; G546-V549 PolarHBondContact O-N 3.19Å; V549-L552 PolarHBondContact O-N 3.07Å; V549-L553 VanDerWaalsContact O-CB 3.24Å; V549-L553 WeakPolarHBondContact O-CB 3.24Å; V549-L553 PolarHBondContact O-N 3.37Å; V549-I662 HydrophobicContact CB-CD1 4.2Å; V549-I662 HydrophobicContact CG1-CD1 4.06Å
550L82.6Confident81.9Confident65 Ų6553.4 Ų53.434%0.3430%0.296SS..Hα-helixtrans-62-45.4177.2-172.2148.7000111.7G546 A547 L553 M554 V659 I662G546-L550 PolarHBondContact O-N 3.12Å; A547-L550 PolarHBondContact O-N 3.11Å; L550-L553 PolarHBondContact O-N 3.29Å; L550-M554 HydrophobicContact CD2-CG 4.09Å; L550-M554 WeakPolarHBondContact O-CG 3.3Å; L550-M554 PolarHBondContact O-N 3.44Å; L550-V659 HydrophobicContact CD1-CG2 4.29Å; L550-I662 HydrophobicContact CB-CD1 4.19Å
551F84.1Confident82.9Confident122 Ų12247 Ų4754%0.53526%0.262SS..Hα-helixtrans-59.9-47.2175.8177-96.7000112.5A547 A548 L553 M554 C555A547-F551 PolarHBondContact O-N 3.5Å; A548-F551 PolarHBondContact O-N 2.84Å; F551-L553 VanDerWaalsContact C-N 3.3Å; F551-L553 PolarHBondContact O-N 3.31Å; F551-M554 PolarHBondContact O-N 2.59Å; F551-C555 VanDerWaalsContact O-CB 3.3Å; F551-C555 WeakPolarHBondContact O-CB 3.43Å; F551-C555 PolarHBondContact O-N 3.46Å
552L82.9Confident84Confident23 Ų2344.2 Ų44.212%0.1225%0.252CS..Hα-helixtrans-61-39.9176.8-75.8173.5000111.7L539 Y542 A548 V549 C555 T556L539-L552 HydrophobicContact CD1-CD1 3.94Å; Y542-L552 HydrophobicContact CD2-CD1 4.09Å; Y542-L552 HydrophobicContact CG-CD1 4.17Å; A548-L552 WeakPolarHBondContact O-CB 3.31Å; A548-L552 VanDerWaalsContact O-CG 3.29Å; A548-L552 WeakPolarHBondContact O-CG 3.08Å; A548-L552 PolarHBondContact O-N 3.07Å; V549-L552 PolarHBondContact O-N 3.07Å; L552-C555 WeakPolarHBondContact O-CB 3.41Å; L552-C555 PolarHBondContact O-N 3.5Å; L552-T556 WeakPolarHBondContact O-CG2 3.24Å; L552-T556 PolarHBondContact O-N 2.85Å; L552-T556 PolarHBondContact O-OG1 3Å
553L84.9Confident84.9Confident29 Ų2947.9 Ų47.915%0.15227%0.265CS..Hα-helixtrans-70.8-37.2-178.9-173.258.4000112.9V549 L550 F551 T556 F557 I655 N658V549-L553 VanDerWaalsContact O-CB 3.24Å; V549-L553 WeakPolarHBondContact O-CB 3.24Å; V549-L553 PolarHBondContact O-N 3.37Å; L550-L553 PolarHBondContact O-N 3.29Å; F551-L553 VanDerWaalsContact C-N 3.3Å; F551-L553 PolarHBondContact O-N 3.31Å; L553-T556 PolarHBondContact O-OG1 2.87Å; L553-F557 PolarHBondContact O-N 3.31Å; L553-F557 VanDerWaalsContact O-N 3.11Å; L553-I655 HydrophobicContact CD1-CG1 4.06Å; L553-I655 HydrophobicContact CD2-CG1 4.42Å; L553-I655 HydrophobicContact CG-CG1 4.05Å; L553-N658 HydrophobicContact CD2-CB 3.5Å; L553-N658 VanDerWaalsContact CD2-CB 3.5Å
554M86.1Confident86Confident78 Ų7846.1 Ų46.138%0.38425%0.252SS..Hα-helixtrans-66.3-39.8169.2-65.3-65.296.300111.4L550 F551 F557 A558 I655L550-M554 HydrophobicContact CD2-CG 4.09Å; L550-M554 WeakPolarHBondContact O-CG 3.3Å; L550-M554 PolarHBondContact O-N 3.44Å; F551-M554 PolarHBondContact O-N 2.59Å; M554-F557 PolarHBondContact O-N 2.83Å; M554-A558 PolarHBondContact O-N 3.31Å; M554-I655 HydrophobicContact CE-CG2 3.62Å
555C87.8Confident87.1Confident24 Ų2443.4 Ų43.416%0.16224%0.239CC..Hα-helixtrans-65.4-41.4177.1-170.90000112.3F551 L552 A558 L559F551-C555 VanDerWaalsContact O-CB 3.3Å; F551-C555 WeakPolarHBondContact O-CB 3.43Å; F551-C555 PolarHBondContact O-N 3.46Å; L552-C555 WeakPolarHBondContact O-CB 3.41Å; L552-C555 PolarHBondContact O-N 3.5Å; C555-A558 PolarHBondContact O-N 3.4Å; C555-L559 WeakPolarHBondContact O-CB 3.28Å; C555-L559 VanDerWaalsContact O-CG 3.25Å; C555-L559 WeakPolarHBondContact O-CG 3.39Å; C555-L559 PolarHBondContact O-N 3.39Å
556T88.1Confident88Confident61 Ų6138.6 Ų38.637%0.37422%0.221SC..Hα-helixtrans-70-34.6176.553.70000112.3L552 L553 L559 I560L552-T556 WeakPolarHBondContact O-CG2 3.24Å; L552-T556 PolarHBondContact O-N 2.85Å; L552-T556 PolarHBondContact O-OG1 3Å; L553-T556 PolarHBondContact O-OG1 2.87Å; T556-L559 PolarHBondContact O-N 3.27Å; T556-I560 WeakPolarHBondContact O-CB 3.27Å; T556-I560 WeakPolarHBondContact O-CG1 3.46Å; T556-I560 PolarHBondContact O-N 2.97Å
557F90.7Very high88.8Confident30 Ų3041.6 Ų41.613%0.13223%0.232CC..Hα-helixtrans-59.2-49.5171.2-177.6-111.2000111.7L553 M554 I560 A561 F619 L622 T623 M651 I655L553-F557 PolarHBondContact O-N 3.31Å; L553-F557 VanDerWaalsContact O-N 3.11Å; M554-F557 PolarHBondContact O-N 2.83Å; F557-I560 PolarHBondContact O-N 3.21Å; F557-A561 WeakPolarHBondContact O-CB 3.22Å; F557-A561 PolarHBondContact O-N 3.41Å; F557-F619 HydrophobicContact CD1-CE1 4.06Å; F557-F619 AromaticContact CE1-CD1 3.86Å; F557-F619 HydrophobicContact CE1-CD1 3.86Å; F557-F619 AromaticContact CE1-CE1 3.65Å; F557-F619 HydrophobicContact CE1-CE1 3.65Å; F557-F619 HydrophobicContact CZ-CD1 4.22Å; F557-F619 HydrophobicContact CZ-CE1 4.37Å; F557-L622 HydrophobicContact CE2-CB 4.02Å; F557-L622 HydrophobicContact CZ-CB 4.18Å; F557-T623 HydrophobicContact CE1-CG2 4.32Å; F557-T623 HydrophobicContact CZ-CG2 3.8Å; F557-M651 HydrophobicContact CD2-CE 4Å; F557-I655 HydrophobicContact CB-CD1 3.89Å; F557-I655 HydrophobicContact CD2-CD1 3.41Å; F557-I655 VanDerWaalsContact CD2-CD1 3.41Å; F557-I655 HydrophobicContact CE2-CD1 4.11Å; F557-I655 HydrophobicContact CG-CD1 3.77Å
558A92.2Very high89.6Confident45 Ų4537.7 Ų37.737%0.37220%0.199SC..Hα-helixtrans-63.9-40.5177.300000113M554 C555 H562M554-A558 PolarHBondContact O-N 3.31Å; C555-A558 PolarHBondContact O-N 3.4Å; A558-H562 VanDerWaalsContact O-CB 3.3Å; A558-H562 WeakPolarHBondContact O-CB 3.37Å; A558-H562 PolarHBondContact O-N 3.4Å
559L92.8Very high90.3Very high15 Ų1537.3 Ų37.38%0.07919%0.194CC..Hα-helixtrans-63.3-42.2176.3-75.9169.4000112.3A422 V423 C555 T556 H562 W563A422-L559 HydrophobicContact CB-CD1 4.33Å; A422-L559 HydrophobicContact CB-CD2 3.74Å; V423-L559 HydrophobicContact CG2-CD2 3.56Å; C555-L559 WeakPolarHBondContact O-CB 3.28Å; C555-L559 VanDerWaalsContact O-CG 3.25Å; C555-L559 WeakPolarHBondContact O-CG 3.39Å; C555-L559 PolarHBondContact O-N 3.39Å; T556-L559 PolarHBondContact O-N 3.27Å; L559-H562 WeakPolarHBondContact O-CB 3.23Å; L559-H562 PolarHBondContact O-N 3.04Å; L559-W563 VanDerWaalsContact O-CG 3.25Å; L559-W563 PolarHBondContact O-N 3.38Å
560I93Very high90.7Very high48 Ų4837.2 Ų37.225%0.24620%0.196CC..Hα-helixtrans-72-38.8179.8-69.3163.2000111.1T556 F557 H562 W563 L564 M651T556-I560 WeakPolarHBondContact O-CB 3.27Å; T556-I560 WeakPolarHBondContact O-CG1 3.46Å; T556-I560 PolarHBondContact O-N 2.97Å; F557-I560 PolarHBondContact O-N 3.21Å; I560-H562 VanDerWaalsContact C-N 3.29Å; I560-H562 PolarHBondContact O-N 3.35Å; I560-W563 HydrophobicContact CG1-CE3 4.39Å; I560-W563 PolarHBondContact O-N 3.15Å; I560-L564 HydrophobicContact CG2-CD1 3.82Å; I560-L564 HydrophobicContact CG2-CG 4.37Å; I560-L564 WeakPolarHBondContact O-CB 3.48Å; I560-L564 VanDerWaalsContact O-CG 3.29Å; I560-L564 WeakPolarHBondContact O-CG 3.22Å; I560-L564 PolarHBondContact O-N 2.79Å; I560-M651 HydrophobicContact CB-CE 3.98Å; I560-M651 HydrophobicContact CB-SD 4.2Å; I560-M651 HydrophobicContact CD1-CE 3.43Å; I560-M651 VanDerWaalsContact CD1-CE 3.43Å; I560-M651 HydrophobicContact CD1-SD 3.95Å; I560-M651 HydrophobicContact CG1-CE 4.28Å; I560-M651 HydrophobicContact CG2-CE 4.12Å; I560-M651 HydrophobicContact CG2-SD 3.65Å
561A94.8Very high91.1Very high0 Ų035.6 Ų35.60%019%0.188CC..Hα-helixtrans-58.2-41.9170.600000112.2F557 A565 T618 F619 L622F557-A561 WeakPolarHBondContact O-CB 3.22Å; F557-A561 PolarHBondContact O-N 3.41Å; A561-A565 WeakPolarHBondContact O-CB 3.35Å; A561-A565 PolarHBondContact O-N 2.97Å; A561-T618 PolarHBondContact O-OG1 3.21Å; A561-F619 HydrophobicContact CB-CD1 3.78Å; A561-F619 HydrophobicContact CB-CD2 4.31Å; A561-F619 HydrophobicContact CB-CE1 3.51Å; A561-F619 HydrophobicContact CB-CE2 4.07Å; A561-F619 HydrophobicContact CB-CG 4.17Å; A561-F619 HydrophobicContact CB-CZ 3.66Å; A561-L622 HydrophobicContact CB-CD1 3.61Å
562H95.5Very high91.2Very high7 Ų730 Ų303%0.03217%0.165CC..Hα-helixtrans-65.7-46175.3167.872.6000112.9V423 A558 L559 I560 L564 A565 C566 Y611 L615V423-H562 PolarHBondContact O-CE1 3.44Å; V423-H562 PolarHBondContact O-NE2 3.25Å; A558-H562 VanDerWaalsContact O-CB 3.3Å; A558-H562 WeakPolarHBondContact O-CB 3.37Å; A558-H562 PolarHBondContact O-N 3.4Å; L559-H562 WeakPolarHBondContact O-CB 3.23Å; L559-H562 PolarHBondContact O-N 3.04Å; I560-H562 VanDerWaalsContact C-N 3.29Å; I560-H562 PolarHBondContact O-N 3.35Å; H562-L564 PolarHBondContact O-N 2.81Å; H562-A565 WeakPolarHBondContact O-CB 3.42Å; H562-A565 PolarHBondContact O-N 3.09Å; H562-A565 VanDerWaalsContact O-N 3.12Å; H562-C566 VanDerWaalsContact CE1-SG 3.52Å; H562-C566 PolarHBondContact O-N 3.35Å; H562-C566 PolarHBondContact O-SG 3.41Å; H562-C566 VanDerWaalsContact O-SG 3.4Å; H562-Y611 AromaticContact CE1-CE2 3.9Å; H562-Y611 AromaticContact ND1-CE2 3.64Å; H562-Y611 AromaticContact ND1-CZ 3.77Å; H562-Y611 PolarHBondContact ND1-OH 3.3Å; H562-L615 HydrophobicContact CB-CD1 4.31Å
563W95Very high91.3Very high80 Ų8031 Ų3130%0.30317%0.17SC..Hα-helixtrans-61.6-44.1176.6-67.5-9.1000112.5A422 L529 L532 L559 I560 A565 C566 I567A422-W563 HydrophobicContact CB-CZ2 4.45Å; A422-W563 PolarHBondContact O-NE1 2.8Å; L529-W563 HydrophobicContact CD2-CZ2 3.99Å; L532-W563 HydrophobicContact CD1-CH2 3.56Å; L532-W563 HydrophobicContact CD1-CZ2 3.45Å; L532-W563 VanDerWaalsContact CD1-CZ2 3.45Å; L559-W563 VanDerWaalsContact O-CG 3.25Å; L559-W563 PolarHBondContact O-N 3.38Å; I560-W563 HydrophobicContact CG1-CE3 4.39Å; I560-W563 PolarHBondContact O-N 3.15Å; W563-A565 VanDerWaalsContact C-N 3.26Å; W563-A565 PolarHBondContact O-N 3.42Å; W563-C566 PolarHBondContact O-N 2.97Å; W563-I567 WeakPolarHBondContact O-CG1 3.49Å; W563-I567 PolarHBondContact O-N 3Å
564L95.2Very high91.1Very high17 Ų1736 Ų369%0.08919%0.194CC..Hα-helixtrans-64-33.5175.5-67.9169.9000111I560 H562 I567 W568 T618 L622 F640 V644I560-L564 HydrophobicContact CG2-CD1 3.82Å; I560-L564 HydrophobicContact CG2-CG 4.37Å; I560-L564 WeakPolarHBondContact O-CB 3.48Å; I560-L564 VanDerWaalsContact O-CG 3.29Å; I560-L564 WeakPolarHBondContact O-CG 3.22Å; I560-L564 PolarHBondContact O-N 2.79Å; H562-L564 PolarHBondContact O-N 2.81Å; L564-I567 HydrophobicContact CD2-CD1 4.45Å; L564-I567 PolarHBondContact O-N 3.46Å; L564-W568 VanDerWaalsContact O-CB 3.3Å; L564-W568 WeakPolarHBondContact O-CB 3.41Å; L564-W568 PolarHBondContact O-N 3.41Å; L564-T618 HydrophobicContact CB-CG2 3.89Å; L564-L622 HydrophobicContact CD1-CD1 4.11Å; L564-L622 HydrophobicContact CD1-CD2 4Å; L564-L622 HydrophobicContact CD1-CG 4.43Å; L564-F640 HydrophobicContact CB-CZ 4.09Å; L564-F640 HydrophobicContact CD2-CE2 3.95Å; L564-F640 HydrophobicContact CD2-CZ 3.92Å; L564-F640 WeakPolarHBondContact O-CZ 3.29Å; L564-V644 HydrophobicContact CD1-CG1 4.37Å; L564-V644 HydrophobicContact CD1-CG2 4.18Å; L564-V644 HydrophobicContact CD2-CG2 4.09Å
565A95.3Very high90.9Very high0 Ų034.6 Ų34.60%019%0.187CC..Hα-helixtrans-67.7-38.9174.800000112.5A561 H562 W563 W568 Y569 A614 L615 T618A561-A565 WeakPolarHBondContact O-CB 3.35Å; A561-A565 PolarHBondContact O-N 2.97Å; H562-A565 WeakPolarHBondContact O-CB 3.42Å; H562-A565 PolarHBondContact O-N 3.09Å; H562-A565 VanDerWaalsContact O-N 3.12Å; W563-A565 VanDerWaalsContact C-N 3.26Å; W563-A565 PolarHBondContact O-N 3.42Å; A565-W568 PolarHBondContact O-N 2.84Å; A565-Y569 PolarHBondContact O-N 2.94Å; A565-A614 HydrophobicContact CB-CB 4.07Å; A565-L615 HydrophobicContact CB-CB 4.15Å; A565-L615 HydrophobicContact CB-CD1 4.06Å; A565-T618 HydrophobicContact CB-CG2 4.29Å
566C93.7Very high90.2Very high6 Ų635.2 Ų35.24%0.04119%0.188CC..Hα-helixtrans-63.5-41172.7-65.90000111.7P426 A430 H562 W563 Y569 A570P426-C566 HydrophobicContact CB-CB 4.22Å; A430-C566 HydrophobicContact CB-CB 3.85Å; H562-C566 VanDerWaalsContact CE1-SG 3.52Å; H562-C566 PolarHBondContact O-N 3.35Å; H562-C566 PolarHBondContact O-SG 3.41Å; H562-C566 VanDerWaalsContact O-SG 3.4Å; W563-C566 PolarHBondContact O-N 2.97Å; C566-Y569 PolarHBondContact O-N 3.41Å; C566-A570 PolarHBondContact O-N 3.35Å
567I93Very high89.2Confident84 Ų8437.2 Ų37.243%0.43120%0.202SC..Hα-helixtrans-67.5-41.7176-63.5162000111.2W563 L564 Y569 A570 I571 F640W563-I567 WeakPolarHBondContact O-CG1 3.49Å; W563-I567 PolarHBondContact O-N 3Å; L564-I567 HydrophobicContact CD2-CD1 4.45Å; L564-I567 PolarHBondContact O-N 3.46Å; I567-Y569 VanDerWaalsContact C-N 3.3Å; I567-Y569 PolarHBondContact O-N 2.93Å; I567-A570 PolarHBondContact O-N 3.47Å; I567-I571 HydrophobicContact CG2-CD1 4.06Å; I567-I571 WeakPolarHBondContact O-CG1 3.45Å; I567-I571 PolarHBondContact O-N 3Å; I567-F640 HydrophobicContact CB-CE2 3.96Å; I567-F640 HydrophobicContact CB-CZ 4.3Å; I567-F640 HydrophobicContact CG2-CD2 3.98Å; I567-F640 HydrophobicContact CG2-CE2 3.45Å; I567-F640 VanDerWaalsContact CG2-CE2 3.45Å; I567-F640 HydrophobicContact CG2-CZ 4.21Å
568W94.7Very high87.8Confident0 Ų042.9 Ų42.90%023%0.228CC..Hα-helixtrans-59.8-38.4175.3-179.3-111000112.7L564 A565 G572 W585 F617 T618 V630 P632 E637 F640L564-W568 VanDerWaalsContact O-CB 3.3Å; L564-W568 WeakPolarHBondContact O-CB 3.41Å; L564-W568 PolarHBondContact O-N 3.41Å; A565-W568 PolarHBondContact O-N 2.84Å; W568-G572 PolarHBondContact O-N 3.26Å; W568-W585 AromaticContact CD1-CE2 3.51Å; W568-W585 AromaticContact CD1-CH2 3.86Å; W568-W585 AromaticContact CD1-CZ2 3.4Å; W568-W585 AromaticContact CD1-NE1 3.86Å; W568-W585 AromaticContact CD2-NE1 3.95Å; W568-W585 AromaticContact CE2-CD1 3.6Å; W568-W585 AromaticContact CE2-CD2 3.73Å; W568-W585 AromaticContact CE2-CE2 3.72Å; W568-W585 AromaticContact CE2-CG 3.69Å; W568-W585 AromaticContact CE2-NE1 3.58Å; W568-W585 HydrophobicContact CG-CZ2 4.3Å; W568-W585 HydrophobicContact CH2-CB 4.41Å; W568-W585 HydrophobicContact CH2-CG 4.32Å; W568-W585 HydrophobicContact CZ2-CB 3.71Å; W568-W585 AromaticContact CZ2-CD1 3.53Å; W568-W585 AromaticContact CZ2-CD2 3.96Å; W568-W585 HydrophobicContact CZ2-CD2 3.96Å; W568-W585 AromaticContact CZ2-CG 3.46Å; W568-W585 HydrophobicContact CZ2-CG 3.46Å; W568-W585 VanDerWaalsContact CZ2-CG 3.46Å; W568-W585 AromaticContact NE1-CD1 3.87Å; W568-W585 AromaticContact NE1-CD2 3.26Å; W568-W585 VanDerWaalsContact NE1-CD2 3.26Å; W568-W585 AromaticContact NE1-CE2 3.15Å; W568-W585 AromaticContact NE1-CE3 3.62Å; W568-W585 AromaticContact NE1-CG 3.76Å; W568-W585 AromaticContact NE1-CH2 3.83Å; W568-W585 AromaticContact NE1-CZ2 3.47Å; W568-W585 AromaticContact NE1-CZ3 3.88Å; W568-W585 AromaticContact NE1-NE1 3.51Å; W568-W585 PolarHBondContact O-NE1 3.36Å; W568-W585 VanDerWaalsContact O-NE1 3.12Å; W568-F617 AromaticContact CD1-CD1 3.88Å; W568-F617 AromaticContact CD2-CD1 3.59Å; W568-F617 HydrophobicContact CD2-CD1 3.59Å; W568-F617 AromaticContact CD2-CE1 3.56Å; W568-F617 HydrophobicContact CD2-CE1 3.56Å; W568-F617 AromaticContact CE2-CD1 3.4Å; W568-F617 AromaticContact CE2-CE1 3.55Å; W568-F617 HydrophobicContact CE3-CD1 4.19Å; W568-F617 AromaticContact CE3-CE1 3.66Å; W568-F617 HydrophobicContact CE3-CE1 3.66Å; W568-F617 HydrophobicContact CE3-CZ 4.5Å; W568-F617 AromaticContact CG-CD1 3.88Å; W568-F617 HydrophobicContact CG-CD1 3.88Å; W568-F617 HydrophobicContact CG-CE1 4.25Å; W568-F617 HydrophobicContact CH2-CD1 4.36Å; W568-F617 AromaticContact CH2-CE1 3.7Å; W568-F617 HydrophobicContact CH2-CE1 3.7Å; W568-F617 AromaticContact CH2-CZ 3.81Å; W568-F617 HydrophobicContact CH2-CZ 3.81Å; W568-F617 AromaticContact CZ2-CD1 3.83Å; W568-F617 HydrophobicContact CZ2-CD1 3.83Å; W568-F617 AromaticContact CZ2-CE1 3.64Å; W568-F617 HydrophobicContact CZ2-CE1 3.64Å; W568-F617 HydrophobicContact CZ2-CE2 4.38Å; W568-F617 HydrophobicContact CZ2-CG 4.29Å; W568-F617 AromaticContact CZ2-CZ 3.93Å; W568-F617 HydrophobicContact CZ2-CZ 3.93Å; W568-F617 AromaticContact CZ3-CE1 3.71Å; W568-F617 HydrophobicContact CZ3-CE1 3.71Å; W568-F617 HydrophobicContact CZ3-CZ 4.1Å; W568-F617 AromaticContact NE1-CD1 3.59Å; W568-T618 HydrophobicContact CB-CG2 4.47Å; W568-V630 HydrophobicContact CZ2-CG1 4.15Å; W568-P632 HydrophobicContact CH2-CB 4.04Å; W568-E637 HydrophobicContact CH2-CB 3.78Å; W568-E637 HydrophobicContact CH2-CG 3.78Å; W568-E637 HydrophobicContact CZ3-CB 3.73Å; W568-E637 HydrophobicContact CZ3-CG 3.82Å; W568-F640 HydrophobicContact CB-CE1 3.91Å; W568-F640 HydrophobicContact CB-CZ 4.26Å; W568-F640 HydrophobicContact CD2-CD1 4.39Å; W568-F640 HydrophobicContact CD2-CE1 4.28Å; W568-F640 AromaticContact CE3-CD1 3.37Å; W568-F640 HydrophobicContact CE3-CD1 3.37Å; W568-F640 AromaticContact CE3-CE1 3.67Å; W568-F640 HydrophobicContact CE3-CE1 3.67Å; W568-F640 HydrophobicContact CE3-CG 4.32Å; W568-F640 HydrophobicContact CG-CE1 4.42Å; W568-F640 AromaticContact CZ3-CD1 3.87Å; W568-F640 HydrophobicContact CZ3-CD1 3.87Å
569Y92.7Very high86.2Confident13 Ų1345.9 Ų45.95%0.05124%0.236CC..Hα-helixtrans-69.8-42.4172.3-176.3-105.3000113A430 F431 A565 C566 I567 I571 G572 N573 W585 L586 K610A430-Y569 WeakPolarHBondContact O-CD1 3.39Å; A430-Y569 VanDerWaalsContact O-CE1 3.27Å; A430-Y569 WeakPolarHBondContact O-CE1 3.41Å; F431-Y569 AromaticContact CD1-CD1 3.5Å; F431-Y569 HydrophobicContact CD1-CD1 3.5Å; F431-Y569 HydrophobicContact CD1-CD2 4.27Å; F431-Y569 AromaticContact CD1-CE1 3.53Å; F431-Y569 HydrophobicContact CD1-CE1 3.53Å; F431-Y569 HydrophobicContact CD1-CE2 4.3Å; F431-Y569 AromaticContact CD1-CG 3.89Å; F431-Y569 HydrophobicContact CD1-CG 3.89Å; F431-Y569 AromaticContact CD1-CZ 3.94Å; F431-Y569 HydrophobicContact CD2-CD1 4.29Å; F431-Y569 AromaticContact CE1-CD1 3.41Å; F431-Y569 HydrophobicContact CE1-CD1 3.41Å; F431-Y569 VanDerWaalsContact CE1-CD1 3.41Å; F431-Y569 AromaticContact CE1-CD2 3.61Å; F431-Y569 HydrophobicContact CE1-CD2 3.61Å; F431-Y569 AromaticContact CE1-CE1 3.83Å; F431-Y569 HydrophobicContact CE1-CE1 3.83Å; F431-Y569 HydrophobicContact CE1-CE2 4.02Å; F431-Y569 AromaticContact CE1-CG 3.28Å; F431-Y569 HydrophobicContact CE1-CG 3.28Å; F431-Y569 HydrophobicContact CE2-CD1 4.19Å; F431-Y569 HydrophobicContact CE2-CG 4.32Å; F431-Y569 AromaticContact CG-CD1 3.97Å; F431-Y569 HydrophobicContact CG-CD1 3.97Å; F431-Y569 HydrophobicContact CG-CE1 4.09Å; F431-Y569 VanDerWaalsContact CZ-CB 3.48Å; F431-Y569 AromaticContact CZ-CD1 3.76Å; F431-Y569 HydrophobicContact CZ-CD1 3.76Å; F431-Y569 HydrophobicContact CZ-CD2 4.19Å; F431-Y569 AromaticContact CZ-CG 3.52Å; F431-Y569 HydrophobicContact CZ-CG 3.52Å; A565-Y569 PolarHBondContact O-N 2.94Å; C566-Y569 PolarHBondContact O-N 3.41Å; I567-Y569 VanDerWaalsContact C-N 3.3Å; I567-Y569 PolarHBondContact O-N 2.93Å; Y569-I571 VanDerWaalsContact C-N 3.34Å; Y569-I571 PolarHBondContact O-N 2.88Å; Y569-G572 PolarHBondContact O-N 3.22Å; Y569-N573 PolarHBondContact O-N 3.29Å; Y569-W585 HydrophobicContact CD2-CZ2 4.28Å; Y569-L586 HydrophobicContact CE2-CD1 4.38Å; Y569-L586 HydrophobicContact CE2-CD2 4.45Å; Y569-K610 HydrophobicContact CD2-CB 4.23Å; Y569-K610 HydrophobicContact CE2-CB 3.89Å; Y569-K610 HydrophobicContact CE2-CD 3.83Å; Y569-K610 HydrophobicContact CE2-CG 4.03Å
570A89.2Confident84.5Confident34 Ų3453.6 Ų53.628%0.28128%0.277SS..Hα-helixtrans-57.6-45.8175.300000111.8C566 I567 G572 N573 M574C566-A570 PolarHBondContact O-N 3.35Å; I567-A570 PolarHBondContact O-N 3.47Å; A570-G572 PolarHBondContact O-N 3.11Å; A570-N573 PolarHBondContact O-N 2.94Å; A570-M574 WeakPolarHBondContact O-CB 3.46Å; A570-M574 VanDerWaalsContact O-CG 3.28Å; A570-M574 WeakPolarHBondContact O-CG 3.42Å; A570-M574 PolarHBondContact O-N 3.06Å
571I90.6Very high82.9Confident31 Ų3154.4 Ų54.416%0.15929%0.287CS..Hα-helixtrans-56.1-51.1174-67.3164.8000110.7I567 Y569 N573 M574 E575 S636 E637 F640I567-I571 HydrophobicContact CG2-CD1 4.06Å; I567-I571 WeakPolarHBondContact O-CG1 3.45Å; I567-I571 PolarHBondContact O-N 3Å; Y569-I571 VanDerWaalsContact C-N 3.34Å; Y569-I571 PolarHBondContact O-N 2.88Å; I571-N573 VanDerWaalsContact C-N 3.31Å; I571-N573 PolarHBondContact O-N 3.27Å; I571-M574 PolarHBondContact O-N 2.67Å; I571-E575 PolarHBondContact O-N 3.43Å; I571-S636 WeakPolarHBondContact CG2-OG 3.41Å; I571-E637 HydrophobicContact CG2-CG 4.27Å; I571-F640 HydrophobicContact CD1-CB 3.8Å; I571-F640 HydrophobicContact CD1-CD1 4.39Å; I571-F640 HydrophobicContact CD1-CD2 3.69Å; I571-F640 HydrophobicContact CD1-CE2 4.38Å; I571-F640 HydrophobicContact CD1-CG 3.69Å
572G88Confident81.7Confident6 Ų661.5 Ų61.56%0.06231%0.314CS..Hα-helixtrans-62.2-31.6-179.100000114.6W568 Y569 A570W568-G572 PolarHBondContact O-N 3.26Å; Y569-G572 PolarHBondContact O-N 3.22Å; A570-G572 PolarHBondContact O-N 3.11Å
573N83.7Confident81Confident43 Ų4365.6 Ų65.623%0.2334%0.335CS..Hα-helixtrans-81.1-33.3174.8179.473.5000112.6K434 Y569 A570 I571 Q576 P577K434-N573 PolarHBondContact NZ-OD1 3.22Å; Y569-N573 PolarHBondContact O-N 3.29Å; A570-N573 PolarHBondContact O-N 2.94Å; I571-N573 VanDerWaalsContact C-N 3.31Å; I571-N573 PolarHBondContact O-N 3.27Å; N573-Q576 WeakPolarHBondContact O-CB 3.33Å; N573-Q576 PolarHBondContact O-N 3.06Å; N573-P577 WeakPolarHBondContact O-CD 3.48Å
574M81.9Confident80.6Confident133 Ų13362.4 Ų62.466%0.65533%0.327SS*.Hα-helixtrans-74.7-29.8178.3-71.5-177.977.900113.5A570 I571 P577 H578A570-M574 WeakPolarHBondContact O-CB 3.46Å; A570-M574 VanDerWaalsContact O-CG 3.28Å; A570-M574 WeakPolarHBondContact O-CG 3.42Å; A570-M574 PolarHBondContact O-N 3.06Å; I571-M574 PolarHBondContact O-N 2.67Å; M574-P577 WeakPolarHBondContact O-CD 3.48Å; M574-H578 PolarHBondContact O-ND1 3.44Å
575E82.2Confident80.4Confident49 Ų4961.8 Ų61.823%0.22932%0.323CS..Hα-helixtrans-78.6-20.2172.8-68.7-166.1146.900113I571 H578 M579 T634 S636I571-E575 PolarHBondContact O-N 3.43Å; E575-H578 PolarHBondContact O-N 3.28Å; E575-H578 VanDerWaalsContact O-N 3.14Å; E575-M579 PolarHBondContact O-N 2.97Å; E575-T634 PolarHBondContact OE1-OG1 3.21Å; E575-T634 VanDerWaalsContact OE2-CB 3.25Å; E575-T634 WeakPolarHBondContact OE2-CB 3.44Å; E575-T634 WeakPolarHBondContact OE2-CG2 3.28Å; E575-T634 PolarHBondContact OE2-OG1 3.17Å; E575-S636 WeakPolarHBondContact OE1-CB 3.45Å; E575-S636 PolarHBondContact OE1-OG 3.36Å; E575-S636 PolarHBondContact OE2-OG 3.37Å
576Q73.1Confident80Confident37 Ų3762 Ų6217%0.17332%0.324CS..G310 helixtrans-54.3-47.9-177.9-168.4-176.14.800114.6N573 H578N573-Q576 WeakPolarHBondContact O-CB 3.33Å; N573-Q576 PolarHBondContact O-N 3.06Å; Q576-H578 VanDerWaalsContact C-N 3.33Å; Q576-H578 PolarHBondContact O-N 3.29Å
577P65.8Low79.7Confident104 Ų10463.1 Ų63.168%0.67533%0.329SS*.G310 helixtrans-79.1-11179.731.8-37.1000114.3N573 M574N573-P577 WeakPolarHBondContact O-CD 3.48Å; M574-P577 WeakPolarHBondContact O-CD 3.48Å
578H61.7Low79.4Confident149 Ų14961.3 Ų61.369%0.6932%0.32SS*.G310 helixtrans-95.9-6.4-174.2-70.5103.1000113.8M574 E575 Q576M574-H578 PolarHBondContact O-ND1 3.44Å; E575-H578 PolarHBondContact O-N 3.28Å; E575-H578 VanDerWaalsContact O-N 3.14Å; Q576-H578 VanDerWaalsContact C-N 3.33Å; Q576-H578 PolarHBondContact O-N 3.29Å
579M59.4Low79.2Confident108 Ų10861.7 Ų61.753%0.53232%0.322SS..  trans-132.1104.9-171.1-71.7-78.4119.900111.5E575 S581E575-M579 PolarHBondContact O-N 2.97Å; M579-S581 PolarHBondContact O-N 2.88Å; M579-S581 VanDerWaalsContact O-N 3.08Å
580D56.7Low78.9Confident177 Ų17761.1 Ų61.195%0.94732%0.32SS*.SBendtrans-58.1-20.1167.1-62.1-53.3000112.6
581S58.6Low78.7Confident64 Ų6463.8 Ų63.845%0.44833%0.33SS..SBendtrans-92.9121.8-178.7-620000111.8M579 I583M579-S581 PolarHBondContact O-N 2.88Å; M579-S581 VanDerWaalsContact O-N 3.08Å; S581-I583 PolarHBondContact O-N 2.88Å
582R69.5Low78.6Confident150 Ų15067.3 Ų67.357%0.56635%0.346SS*.THydrogen-bonded Turntrans-70.949.9-177.4-56.7178.5-175.4179.7-0.8114.2H587R582-H587 HydrophobicContact CB-CB 4.19Å
583I81.4Confident78.7Confident92 Ų9270.2 Ų70.247%0.47236%0.359SS..THydrogen-bonded Turntrans-96.5-33.1-167.4-64.5171.5000113S581 N633S581-I583 PolarHBondContact O-N 2.88Å; I583-N633 HydrophobicContact CG2-CB 3.98Å; I583-N633 WeakPolarHBondContact O-CB 3.27Å; I583-N633 PolarHBondContact O-ND2 3.21Å
584G85.7Confident78.7Confident13 Ų1371 Ų7113%0.13438%0.378CS..SBendtrans-64155.4-175.400000114L586 H587 N588 E637G584-L586 PolarHBondContact O-N 3.22Å; G584-H587 PolarHBondContact O-N 3.42Å; G584-N588 PolarHBondContact O-N 2.99Å; G584-E637 WeakPolarHBondContact CA-OE1 3.36Å
585W91.2Very high78.9Confident4 Ų468.9 Ų68.92%0.01537%0.365CS..Hα-helixtrans-54.8-33-17181.6-95000113.6W568 Y569 N588 L589 T613 A614 V630 E637W568-W585 AromaticContact CD1-CE2 3.51Å; W568-W585 AromaticContact CD1-CH2 3.86Å; W568-W585 AromaticContact CD1-CZ2 3.4Å; W568-W585 AromaticContact CD1-NE1 3.86Å; W568-W585 AromaticContact CD2-NE1 3.95Å; W568-W585 AromaticContact CE2-CD1 3.6Å; W568-W585 AromaticContact CE2-CD2 3.73Å; W568-W585 AromaticContact CE2-CE2 3.72Å; W568-W585 AromaticContact CE2-CG 3.69Å; W568-W585 AromaticContact CE2-NE1 3.58Å; W568-W585 HydrophobicContact CG-CZ2 4.3Å; W568-W585 HydrophobicContact CH2-CB 4.41Å; W568-W585 HydrophobicContact CH2-CG 4.32Å; W568-W585 HydrophobicContact CZ2-CB 3.71Å; W568-W585 AromaticContact CZ2-CD1 3.53Å; W568-W585 AromaticContact CZ2-CD2 3.96Å; W568-W585 HydrophobicContact CZ2-CD2 3.96Å; W568-W585 AromaticContact CZ2-CG 3.46Å; W568-W585 HydrophobicContact CZ2-CG 3.46Å; W568-W585 VanDerWaalsContact CZ2-CG 3.46Å; W568-W585 AromaticContact NE1-CD1 3.87Å; W568-W585 AromaticContact NE1-CD2 3.26Å; W568-W585 VanDerWaalsContact NE1-CD2 3.26Å; W568-W585 AromaticContact NE1-CE2 3.15Å; W568-W585 AromaticContact NE1-CE3 3.62Å; W568-W585 AromaticContact NE1-CG 3.76Å; W568-W585 AromaticContact NE1-CH2 3.83Å; W568-W585 AromaticContact NE1-CZ2 3.47Å; W568-W585 AromaticContact NE1-CZ3 3.88Å; W568-W585 AromaticContact NE1-NE1 3.51Å; W568-W585 PolarHBondContact O-NE1 3.36Å; W568-W585 VanDerWaalsContact O-NE1 3.12Å; Y569-W585 HydrophobicContact CD2-CZ2 4.28Å; W585-N588 PolarHBondContact O-N 2.82Å; W585-L589 HydrophobicContact CZ3-CD2 3.91Å; W585-L589 PolarHBondContact O-N 3.32Å; W585-T613 HydrophobicContact CZ3-CG2 3.83Å; W585-A614 HydrophobicContact CH2-CB 3.96Å; W585-A614 HydrophobicContact CZ2-CB 4.38Å; W585-V630 HydrophobicContact CB-CG1 4.47Å; W585-V630 HydrophobicContact CE3-CG1 3.93Å; W585-E637 VanDerWaalsContact CD1-OE1 3.25Å; W585-E637 PolarHBondContact N-OE1 2.72Å
586L88.1Confident78.8Confident4 Ų469.5 Ų69.52%0.02137%0.373CS..Hα-helixtrans-70.8-30.2-179-173.460.2000113.1Y569 G584 G590 Y597 P605 K610Y569-L586 HydrophobicContact CE2-CD1 4.38Å; Y569-L586 HydrophobicContact CE2-CD2 4.45Å; G584-L586 PolarHBondContact O-N 3.22Å; L586-G590 PolarHBondContact O-N 2.96Å; L586-Y597 WeakPolarHBondContact CD2-OH 3.46Å; L586-Y597 HydrophobicContact CG-CE2 4.21Å; L586-Y597 WeakPolarHBondContact CG-OH 3.26Å; L586-P605 HydrophobicContact CD1-CG 4.48Å; L586-K610 HydrophobicContact CD1-CD 4.44Å; L586-K610 HydrophobicContact CD1-CG 3.93Å
587H85.8Confident79Confident31 Ų3168.8 Ų68.814%0.14437%0.369CS..Hα-helixtrans-73.5-47.5172.4-73.2102.6000110.9R582 G584 L589 G590 D591 Y597R582-H587 HydrophobicContact CB-CB 4.19Å; G584-H587 PolarHBondContact O-N 3.42Å; H587-L589 PolarHBondContact O-N 3.36Å; H587-G590 WeakPolarHBondContact O-CA 3.36Å; H587-G590 PolarHBondContact O-N 2.91Å; H587-D591 PolarHBondContact O-N 3.18Å; H587-Y597 AromaticContact CD2-CD2 3.97Å
588N87.6Confident79.3Confident45 Ų4568.8 Ų68.824%0.24136%0.363CS..Hα-helixtrans-54.8-40.6174.4-174.82.4000111.4G584 W585 D591 Q592G584-N588 PolarHBondContact O-N 2.99Å; W585-N588 PolarHBondContact O-N 2.82Å; N588-D591 PolarHBondContact O-N 2.97Å; N588-Q592 WeakPolarHBondContact O-CB 3.37Å; N588-Q592 WeakPolarHBondContact O-CG 3.16Å; N588-Q592 PolarHBondContact O-N 2.93Å; N588-Q592 PolarHBondContact OD1-NE2 3.16Å
589L90Very high79.4Confident9 Ų967.3 Ų67.35%0.04737%0.37CS..Hα-helixtrans-62.1-42.1172.7-177.161.5000113.3W585 H587 D591 Q592 I593 P605 T613W585-L589 HydrophobicContact CZ3-CD2 3.91Å; W585-L589 PolarHBondContact O-N 3.32Å; H587-L589 PolarHBondContact O-N 3.36Å; L589-D591 VanDerWaalsContact C-N 3.32Å; L589-D591 PolarHBondContact O-N 3.44Å; L589-Q592 PolarHBondContact O-N 2.99Å; L589-I593 HydrophobicContact CD1-CD1 3.47Å; L589-I593 VanDerWaalsContact CD1-CD1 3.47Å; L589-I593 HydrophobicContact CD1-CG1 3.93Å; L589-I593 HydrophobicContact CD2-CD1 4.48Å; L589-I593 HydrophobicContact CG-CD1 3.87Å; L589-I593 HydrophobicContact CG-CG1 4.48Å; L589-I593 WeakPolarHBondContact O-CB 3.21Å; L589-I593 WeakPolarHBondContact O-CG1 3.31Å; L589-I593 PolarHBondContact O-N 3.33Å; L589-P605 HydrophobicContact CD2-CG 4.11Å; L589-P605 HydrophobicContact CG-CG 4.24Å; L589-T613 HydrophobicContact CD1-CG2 3.7Å; L589-T613 HydrophobicContact CD2-CG2 3.89Å; L589-T613 HydrophobicContact CG-CG2 4.36Å
590G86.6Confident79.4Confident0 Ų066.9 Ų66.90%038%0.377CS..Hα-helixtrans-59.4-44.5176.500000111.7L586 H587 G594 K595L586-G590 PolarHBondContact O-N 2.96Å; H587-G590 WeakPolarHBondContact O-CA 3.36Å; H587-G590 PolarHBondContact O-N 2.91Å; G590-G594 PolarHBondContact O-N 3.34Å; G590-G594 VanDerWaalsContact O-N 3.15Å; G590-K595 VanDerWaalsContact CA-O 3.27Å; G590-K595 WeakPolarHBondContact CA-O 3.43Å; G590-K595 CarbonylContact O-C 3.18Å; G590-K595 PolarHBondContact O-N 3.24Å
591D86.2Confident79.8Confident91 Ų9160.3 Ų60.349%0.48735%0.352SS..Hα-helixtrans-67.3-45.2177.5-65.5-20.8000111.7H587 N588 L589 I593 G594H587-D591 PolarHBondContact O-N 3.18Å; N588-D591 PolarHBondContact O-N 2.97Å; L589-D591 VanDerWaalsContact C-N 3.32Å; L589-D591 PolarHBondContact O-N 3.44Å; D591-I593 VanDerWaalsContact C-N 3.33Å; D591-I593 PolarHBondContact O-N 2.88Å; D591-G594 PolarHBondContact O-N 3Å; D591-G594 VanDerWaalsContact O-N 3.15Å
592Q88Confident80Confident105 Ų10562.9 Ų62.949%0.49136%0.36SS..Hα-helixtrans-61.5-35.5177.1-75-177.739.800113.8N588 L589 G594 N629N588-Q592 WeakPolarHBondContact O-CB 3.37Å; N588-Q592 WeakPolarHBondContact O-CG 3.16Å; N588-Q592 PolarHBondContact O-N 2.93Å; N588-Q592 PolarHBondContact OD1-NE2 3.16Å; L589-Q592 PolarHBondContact O-N 2.99Å; Q592-G594 VanDerWaalsContact C-N 3.34Å; Q592-N629 PolarHBondContact NE2-O 3.29Å
593I88.5Confident79.9Confident66 Ų6657.9 Ų57.934%0.33836%0.355SS..Hα-helixtrans-85.2-8.9179.2-68.1-178.8000111.9L589 D591 K595 P605 D609L589-I593 HydrophobicContact CD1-CD1 3.47Å; L589-I593 VanDerWaalsContact CD1-CD1 3.47Å; L589-I593 HydrophobicContact CD1-CG1 3.93Å; L589-I593 HydrophobicContact CD2-CD1 4.48Å; L589-I593 HydrophobicContact CG-CD1 3.87Å; L589-I593 HydrophobicContact CG-CG1 4.48Å; L589-I593 WeakPolarHBondContact O-CB 3.21Å; L589-I593 WeakPolarHBondContact O-CG1 3.31Å; L589-I593 PolarHBondContact O-N 3.33Å; D591-I593 VanDerWaalsContact C-N 3.33Å; D591-I593 PolarHBondContact O-N 2.88Å; I593-K595 VanDerWaalsContact C-N 3.29Å; I593-K595 HydrophobicContact CG2-CB 4.33Å; I593-K595 HydrophobicContact CG2-CD 3.68Å; I593-K595 HydrophobicContact CG2-CG 3.91Å; I593-P605 HydrophobicContact CD1-CB 4.44Å; I593-D609 HydrophobicContact CD1-CB 3.93Å
594G84.6Confident79.8Confident61 Ų6154.5 Ų54.563%0.62934%0.342SS*.THydrogen-bonded Turntrans70.924.6-173.200000113.3G590 D591 Q592 P596G590-G594 PolarHBondContact O-N 3.34Å; G590-G594 VanDerWaalsContact O-N 3.15Å; D591-G594 PolarHBondContact O-N 3Å; D591-G594 VanDerWaalsContact O-N 3.15Å; Q592-G594 VanDerWaalsContact C-N 3.34Å; G594-P596 VanDerWaalsContact C-CD 3.4Å
595K85.2Confident79.8Confident87 Ų8754 Ų5438%0.37834%0.337SS..  trans-122.767174.7-63.1174.4-163.91750109.4G590 I593 G604 D609G590-K595 VanDerWaalsContact CA-O 3.27Å; G590-K595 WeakPolarHBondContact CA-O 3.43Å; G590-K595 CarbonylContact O-C 3.18Å; G590-K595 PolarHBondContact O-N 3.24Å; I593-K595 VanDerWaalsContact C-N 3.29Å; I593-K595 HydrophobicContact CG2-CB 4.33Å; I593-K595 HydrophobicContact CG2-CD 3.68Å; I593-K595 HydrophobicContact CG2-CG 3.91Å; K595-G604 CarbonylContact O-C 3.56Å; K595-G604 VanDerWaalsContact O-CA 3.27Å; K595-G604 WeakPolarHBondContact O-CA 3.33Å; K595-D609 IonicContact NZ-OD2 2.74Å; K595-D609 PolarHBondContact NZ-OD2 2.82Å
596P81.2Confident79.6Confident62 Ų6256.1 Ų56.140%0.40335%0.352SS..PPolyproline II helixtrans-65.6161.3179.129.1-36.3000111.8G594 G604G594-P596 VanDerWaalsContact C-CD 3.4Å; P596-G604 PolarHBondContact O-N 3.12Å
597Y76.6Confident79.6Confident22 Ų2257.4 Ų57.49%0.08636%0.359CS..BIsolated β-bridgetrans-81132.8169.4-72.3-94.1000110L586 H587 G603 K610L586-Y597 WeakPolarHBondContact CD2-OH 3.46Å; L586-Y597 HydrophobicContact CG-CE2 4.21Å; L586-Y597 WeakPolarHBondContact CG-OH 3.26Å; H587-Y597 AromaticContact CD2-CD2 3.97Å; Y597-G603 WeakPolarHBondContact CD1-O 3.28Å; Y597-G603 WeakPolarHBondContact CE1-O 3.37Å; Y597-K610 VanDerWaalsContact OH-CE 3.22Å; Y597-K610 WeakPolarHBondContact OH-CE 3.47Å
598N72.3Confident79.8Confident105 Ų10563.5 Ų63.556%0.56139%0.385SS*.PPolyproline II helixtrans-72.6160.2171.6-65.2-54.3000110.7S600 G601 L602N598-S600 PolarHBondContact O-N 2.98Å; N598-G601 PolarHBondContact O-N 2.84Å; N598-L602 WeakPolarHBondContact CB-O 3.32Å; N598-L602 PolarHBondContact ND2-O 3.2Å
599S63.3Low80Confident118 Ų11863.3 Ų63.383%0.82538%0.384SS*.THydrogen-bonded Turntrans-57.7-14.8175.6-470000114.5
600S61.3Low80.1Confident98 Ų9864 Ų6469%0.68539%0.387SS*.THydrogen-bonded Turntrans-89.14.6176.7-47.40000114N598 L602N598-S600 PolarHBondContact O-N 2.98Å; S600-L602 WeakPolarHBondContact O-CD1 3.36Å; S600-L602 PolarHBondContact O-N 3.27Å
601G63.8Low80.4Confident40 Ų4066.4 Ų66.441%0.41240%0.396SS..SBendtrans77.3-37.5-172.600000114.1N598 G603N598-G601 PolarHBondContact O-N 2.84Å; G601-G603 PolarHBondContact O-N 3.14Å
602L62.4Low80.8Confident118 Ų11866 Ų6662%0.61840%0.396SS*.  trans-62.9115.8176.3-7972.4000111.5N598 S600N598-L602 WeakPolarHBondContact CB-O 3.32Å; N598-L602 PolarHBondContact ND2-O 3.2Å; S600-L602 WeakPolarHBondContact O-CD1 3.36Å; S600-L602 PolarHBondContact O-N 3.27Å
603G67.3Low81.1Confident45 Ų4561.9 Ų61.946%0.46438%0.379SS..BIsolated β-bridgetrans143.7-163.318000000112.9Y597 G601Y597-G603 WeakPolarHBondContact CD1-O 3.28Å; Y597-G603 WeakPolarHBondContact CE1-O 3.37Å; G601-G603 PolarHBondContact O-N 3.14Å
604G80.6Confident81.4Confident20 Ų2058.8 Ų58.821%0.20636%0.363CS..  trans100.3-177.7176.200000116K595 P596K595-G604 CarbonylContact O-C 3.56Å; K595-G604 VanDerWaalsContact O-CA 3.27Å; K595-G604 WeakPolarHBondContact O-CA 3.33Å; P596-G604 PolarHBondContact O-N 3.12Å
605P85.5Confident81.9Confident3 Ų357.4 Ų57.42%0.01934%0.341CS..  trans-71.4157.6-179.925.5-29.8000113.1L586 L589 I593 D609 K610L586-P605 HydrophobicContact CD1-CG 4.48Å; L589-P605 HydrophobicContact CD2-CG 4.11Å; L589-P605 HydrophobicContact CG-CG 4.24Å; I593-P605 HydrophobicContact CD1-CB 4.44Å; P605-D609 HydrophobicContact CB-CB 4.09Å; P605-K610 HydrophobicContact CB-CG 4.42Å; P605-K610 HydrophobicContact CG-CG 4.04Å; P605-K610 WeakPolarHBondContact O-CD 3.43Å; P605-K610 WeakPolarHBondContact O-CE 3.49Å; P605-K610 PolarHBondContact O-NZ 2.69Å
606S87.5Confident82.4Confident49 Ų4957 Ų5734%0.34334%0.338SS..  trans-72.1160.1-178.374.60000111.9K608 D609 K610S606-K608 PolarHBondContact O-N 2.97Å; S606-D609 WeakPolarHBondContact CB-OD2 3.34Å; S606-D609 PolarHBondContact N-OD2 2.88Å; S606-D609 WeakPolarHBondContact O-CB 3.43Å; S606-D609 PolarHBondContact O-N 3.23Å; S606-D609 PolarHBondContact OG-N 3.05Å; S606-D609 PolarHBondContact OG-OD1 3.09Å; S606-D609 PolarHBondContact OG-OD2 3.02Å; S606-K610 WeakPolarHBondContact O-CB 3.45Å; S606-K610 WeakPolarHBondContact O-CG 3.34Å; S606-K610 PolarHBondContact O-N 3.22Å
607I86.8Confident83.1Confident31 Ų3154.5 Ų54.516%0.15932%0.32CS..Hα-helixtrans-58.4-35.7177.5-66.1-179.1000111.8F431 E435 K610 Y611F431-I607 HydrophobicContact CB-CG2 4.25Å; F431-I607 HydrophobicContact CD1-CG2 4.04Å; F431-I607 HydrophobicContact CG-CG2 4.47Å; E435-I607 HydrophobicContact CG-CD1 3.64Å; E435-I607 VanDerWaalsContact OE1-CD1 3.27Å; E435-I607 WeakPolarHBondContact OE1-CD1 3.28Å; I607-K610 PolarHBondContact O-N 3.07Å; I607-Y611 VanDerWaalsContact O-CB 3.3Å; I607-Y611 WeakPolarHBondContact O-CB 3.29Å; I607-Y611 PolarHBondContact O-N 3.06Å
608K90.3Very high84Confident159 Ų15953.4 Ų53.469%0.69132%0.316SS*.Hα-helixtrans-61.3-48173.1-173.8-176.1178.3-174.60111.5S606 V612S606-K608 PolarHBondContact O-N 2.97Å; K608-V612 HydrophobicContact CG-CG2 4.49Å; K608-V612 WeakPolarHBondContact O-CB 3.22Å; K608-V612 VanDerWaalsContact O-CG2 3.27Å; K608-V612 WeakPolarHBondContact O-CG2 3.41Å; K608-V612 PolarHBondContact O-N 3.12Å
609D91.8Very high85Confident40 Ų4051.5 Ų51.521%0.21430%0.303CS..Hα-helixtrans-61.4-47.4178.1-52.4-35.1000110.2I593 K595 P605 S606 T613I593-D609 HydrophobicContact CD1-CB 3.93Å; K595-D609 IonicContact NZ-OD2 2.74Å; K595-D609 PolarHBondContact NZ-OD2 2.82Å; P605-D609 HydrophobicContact CB-CB 4.09Å; S606-D609 WeakPolarHBondContact CB-OD2 3.34Å; S606-D609 PolarHBondContact N-OD2 2.88Å; S606-D609 WeakPolarHBondContact O-CB 3.43Å; S606-D609 PolarHBondContact O-N 3.23Å; S606-D609 PolarHBondContact OG-N 3.05Å; S606-D609 PolarHBondContact OG-OD1 3.09Å; S606-D609 PolarHBondContact OG-OD2 3.02Å; D609-T613 VanDerWaalsContact O-CB 3.26Å; D609-T613 WeakPolarHBondContact O-CB 3.42Å; D609-T613 PolarHBondContact O-N 2.92Å; D609-T613 PolarHBondContact O-OG1 3.4Å
610K91.6Very high86.5Confident25 Ų2546.4 Ų46.411%0.10927%0.267CS..Hα-helixtrans-57.8-51.4178.1-71.9161.2164.2153.80112.2F431 Y569 L586 Y597 P605 S606 I607 A614F431-K610 HydrophobicContact CE1-CB 4.37Å; Y569-K610 HydrophobicContact CD2-CB 4.23Å; Y569-K610 HydrophobicContact CE2-CB 3.89Å; Y569-K610 HydrophobicContact CE2-CD 3.83Å; Y569-K610 HydrophobicContact CE2-CG 4.03Å; L586-K610 HydrophobicContact CD1-CD 4.44Å; L586-K610 HydrophobicContact CD1-CG 3.93Å; Y597-K610 VanDerWaalsContact OH-CE 3.22Å; Y597-K610 WeakPolarHBondContact OH-CE 3.47Å; P605-K610 HydrophobicContact CB-CG 4.42Å; P605-K610 HydrophobicContact CG-CG 4.04Å; P605-K610 WeakPolarHBondContact O-CD 3.43Å; P605-K610 WeakPolarHBondContact O-CE 3.49Å; P605-K610 PolarHBondContact O-NZ 2.69Å; S606-K610 WeakPolarHBondContact O-CB 3.45Å; S606-K610 WeakPolarHBondContact O-CG 3.34Å; S606-K610 PolarHBondContact O-N 3.22Å; I607-K610 PolarHBondContact O-N 3.07Å; K610-A614 WeakPolarHBondContact O-CB 3.25Å; K610-A614 PolarHBondContact O-N 3.38Å
611Y94.1Very high88.1Confident50 Ų5042.5 Ų42.520%0.19624%0.24CC..Hα-helixtrans-64.8-49.1-179.6174.9-102.7000112.3Y427 F431 H562 I607 T613 A614 L615Y427-Y611 AromaticContact CD2-CD2 3.83Å; Y427-Y611 HydrophobicContact CD2-CD2 3.83Å; Y427-Y611 AromaticContact CD2-CE2 3.92Å; Y427-Y611 HydrophobicContact CD2-CE2 3.92Å; Y427-Y611 HydrophobicContact CD2-CG 4.49Å; Y427-Y611 AromaticContact CE2-CD2 3.85Å; Y427-Y611 HydrophobicContact CE2-CD2 3.85Å; Y427-Y611 HydrophobicContact CE2-CE2 4.3Å; Y427-Y611 HydrophobicContact CE2-CG 4.07Å; F431-Y611 HydrophobicContact CD2-CD2 4.39Å; F431-Y611 HydrophobicContact CE1-CD2 4.4Å; F431-Y611 AromaticContact CE2-CD2 3.7Å; F431-Y611 HydrophobicContact CE2-CD2 3.7Å; F431-Y611 HydrophobicContact CE2-CE2 4.44Å; F431-Y611 AromaticContact CZ-CD2 3.71Å; F431-Y611 HydrophobicContact CZ-CD2 3.71Å; F431-Y611 HydrophobicContact CZ-CG 4.38Å; H562-Y611 AromaticContact CE1-CE2 3.9Å; H562-Y611 AromaticContact ND1-CE2 3.64Å; H562-Y611 AromaticContact ND1-CZ 3.77Å; H562-Y611 PolarHBondContact ND1-OH 3.3Å; I607-Y611 VanDerWaalsContact O-CB 3.3Å; I607-Y611 WeakPolarHBondContact O-CB 3.29Å; I607-Y611 PolarHBondContact O-N 3.06Å; Y611-T613 VanDerWaalsContact C-N 3.3Å; Y611-T613 PolarHBondContact O-N 3.35Å; Y611-A614 PolarHBondContact O-N 3.12Å; Y611-L615 HydrophobicContact CE1-CD2 4.01Å; Y611-L615 WeakPolarHBondContact O-CB 3.39Å; Y611-L615 PolarHBondContact O-N 3.25Å
612V95Very high89.5Confident81 Ų8140.7 Ų40.749%0.49122%0.221SC..Hα-helixtrans-62.5-40179.7172.50000110.8K608 L615 Y616K608-V612 HydrophobicContact CG-CG2 4.49Å; K608-V612 WeakPolarHBondContact O-CB 3.22Å; K608-V612 VanDerWaalsContact O-CG2 3.27Å; K608-V612 WeakPolarHBondContact O-CG2 3.41Å; K608-V612 PolarHBondContact O-N 3.12Å; V612-L615 PolarHBondContact O-N 3.29Å; V612-Y616 VanDerWaalsContact O-CB 3.25Å; V612-Y616 WeakPolarHBondContact O-CB 3.44Å; V612-Y616 PolarHBondContact O-N 3.26Å
613T94.3Very high90.9Very high20 Ų2037.1 Ų37.112%0.12320%0.204CC..Hα-helixtrans-66.7-43.8176.7-54.40000112.3W585 L589 D609 Y611 L615 Y616 F617 V630W585-T613 HydrophobicContact CZ3-CG2 3.83Å; L589-T613 HydrophobicContact CD1-CG2 3.7Å; L589-T613 HydrophobicContact CD2-CG2 3.89Å; L589-T613 HydrophobicContact CG-CG2 4.36Å; D609-T613 VanDerWaalsContact O-CB 3.26Å; D609-T613 WeakPolarHBondContact O-CB 3.42Å; D609-T613 PolarHBondContact O-N 2.92Å; D609-T613 PolarHBondContact O-OG1 3.4Å; Y611-T613 VanDerWaalsContact C-N 3.3Å; Y611-T613 PolarHBondContact O-N 3.35Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3.13Å; T613-Y616 PolarHBondContact O-N 2.97Å; T613-F617 PolarHBondContact O-N 3.25Å; T613-V630 HydrophobicContact CG2-CG2 3.4Å; T613-V630 VanDerWaalsContact CG2-CG2 3.4Å
614A94.8Very high92.1Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-61-43.1176.300000111.9A565 W585 K610 Y611 F617 T618A565-A614 HydrophobicContact CB-CB 4.07Å; W585-A614 HydrophobicContact CH2-CB 3.96Å; W585-A614 HydrophobicContact CZ2-CB 4.38Å; K610-A614 WeakPolarHBondContact O-CB 3.25Å; K610-A614 PolarHBondContact O-N 3.38Å; Y611-A614 PolarHBondContact O-N 3.12Å; A614-F617 PolarHBondContact O-N 3.03Å; A614-T618 PolarHBondContact O-N 2.84Å; A614-T618 VanDerWaalsContact O-N 3.08Å; A614-T618 PolarHBondContact O-OG1 3Å
615L95.3Very high92.8Very high33 Ų3342.6 Ų42.617%0.17323%0.228CC..Hα-helixtrans-68.6-37.6178.3-171.664.3000112.5H562 A565 Y611 V612 T613 T618 F619H562-L615 HydrophobicContact CB-CD1 4.31Å; A565-L615 HydrophobicContact CB-CB 4.15Å; A565-L615 HydrophobicContact CB-CD1 4.06Å; Y611-L615 HydrophobicContact CE1-CD2 4.01Å; Y611-L615 WeakPolarHBondContact O-CB 3.39Å; Y611-L615 PolarHBondContact O-N 3.25Å; V612-L615 PolarHBondContact O-N 3.29Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3.13Å; L615-T618 PolarHBondContact O-OG1 3.04Å; L615-F619 HydrophobicContact CD1-CD2 3.97Å; L615-F619 HydrophobicContact CD1-CE2 3.68Å; L615-F619 HydrophobicContact CD2-CE2 4.22Å; L615-F619 HydrophobicContact CG-CD2 3.82Å; L615-F619 HydrophobicContact CG-CE2 3.76Å; L615-F619 WeakPolarHBondContact O-CB 2.92Å; L615-F619 VanDerWaalsContact O-CD2 3.3Å; L615-F619 WeakPolarHBondContact O-CD2 3.37Å; L615-F619 PolarHBondContact O-N 2.97Å
616Y95.6Very high93Very high79 Ų7945 Ų4531%0.3125%0.254SS..Hα-helixtrans-62.2-45.8172.3165.6-102.4000111.7V612 T613 S620 F627 N629 V630V612-Y616 VanDerWaalsContact O-CB 3.25Å; V612-Y616 WeakPolarHBondContact O-CB 3.44Å; V612-Y616 PolarHBondContact O-N 3.26Å; T613-Y616 PolarHBondContact O-N 2.97Å; Y616-S620 WeakPolarHBondContact O-CB 3.49Å; Y616-S620 PolarHBondContact O-N 3.44Å; Y616-S620 PolarHBondContact O-OG 3.41Å; Y616-F627 AromaticContact CE2-CD2 3.64Å; Y616-F627 HydrophobicContact CE2-CD2 3.64Å; Y616-F627 AromaticContact CE2-CE2 3.85Å; Y616-F627 HydrophobicContact CE2-CE2 3.85Å; Y616-F627 AromaticContact CZ-CD2 3.61Å; Y616-F627 WeakPolarHBondContact OH-CB 3.4Å; Y616-F627 WeakPolarHBondContact OH-CD2 3.39Å; Y616-F627 VanDerWaalsContact OH-CG 3.27Å; Y616-F627 WeakPolarHBondContact OH-CG 3.33Å; Y616-N629 HydrophobicContact CE1-CB 4.39Å; Y616-N629 PolarHBondContact OH-ND2 2.92Å; Y616-V630 HydrophobicContact CD1-CG2 4.41Å
617F94.9Very high93.2Very high8 Ų848.6 Ų48.64%0.03526%0.263CS..Hα-helixtrans-58-52.5176172.8-108.6000111.3W568 T613 A614 S620 S621 V630W568-F617 AromaticContact CD1-CD1 3.88Å; W568-F617 AromaticContact CD2-CD1 3.59Å; W568-F617 HydrophobicContact CD2-CD1 3.59Å; W568-F617 AromaticContact CD2-CE1 3.56Å; W568-F617 HydrophobicContact CD2-CE1 3.56Å; W568-F617 AromaticContact CE2-CD1 3.4Å; W568-F617 AromaticContact CE2-CE1 3.55Å; W568-F617 HydrophobicContact CE3-CD1 4.19Å; W568-F617 AromaticContact CE3-CE1 3.66Å; W568-F617 HydrophobicContact CE3-CE1 3.66Å; W568-F617 HydrophobicContact CE3-CZ 4.5Å; W568-F617 AromaticContact CG-CD1 3.88Å; W568-F617 HydrophobicContact CG-CD1 3.88Å; W568-F617 HydrophobicContact CG-CE1 4.25Å; W568-F617 HydrophobicContact CH2-CD1 4.36Å; W568-F617 AromaticContact CH2-CE1 3.7Å; W568-F617 HydrophobicContact CH2-CE1 3.7Å; W568-F617 AromaticContact CH2-CZ 3.81Å; W568-F617 HydrophobicContact CH2-CZ 3.81Å; W568-F617 AromaticContact CZ2-CD1 3.83Å; W568-F617 HydrophobicContact CZ2-CD1 3.83Å; W568-F617 AromaticContact CZ2-CE1 3.64Å; W568-F617 HydrophobicContact CZ2-CE1 3.64Å; W568-F617 HydrophobicContact CZ2-CE2 4.38Å; W568-F617 HydrophobicContact CZ2-CG 4.29Å; W568-F617 AromaticContact CZ2-CZ 3.93Å; W568-F617 HydrophobicContact CZ2-CZ 3.93Å; W568-F617 AromaticContact CZ3-CE1 3.71Å; W568-F617 HydrophobicContact CZ3-CE1 3.71Å; W568-F617 HydrophobicContact CZ3-CZ 4.1Å; W568-F617 AromaticContact NE1-CD1 3.59Å; T613-F617 PolarHBondContact O-N 3.25Å; A614-F617 PolarHBondContact O-N 3.03Å; F617-S620 PolarHBondContact O-N 3.11Å; F617-S620 PolarHBondContact O-OG 3.15Å; F617-S621 PolarHBondContact O-N 2.87Å; F617-V630 HydrophobicContact CB-CB 4.19Å; F617-V630 HydrophobicContact CB-CG1 4.01Å; F617-V630 HydrophobicContact CD2-CB 4.04Å; F617-V630 HydrophobicContact CD2-CG1 3.93Å; F617-V630 WeakPolarHBondContact CD2-O 3.5Å; F617-V630 HydrophobicContact CG-CB 4.42Å; F617-V630 HydrophobicContact CG-CG1 4.04Å
618T95.3Very high93.2Very high0 Ų049.4 Ų49.40%028%0.279CS..Hα-helixtrans-67.9-38.8-177.260.10000112.9A561 L564 A565 W568 A614 L615 S621 L622A561-T618 PolarHBondContact O-OG1 3.21Å; L564-T618 HydrophobicContact CB-CG2 3.89Å; A565-T618 HydrophobicContact CB-CG2 4.29Å; W568-T618 HydrophobicContact CB-CG2 4.47Å; A614-T618 PolarHBondContact O-N 2.84Å; A614-T618 VanDerWaalsContact O-N 3.08Å; A614-T618 PolarHBondContact O-OG1 3Å; L615-T618 PolarHBondContact O-OG1 3.04Å; T618-S621 PolarHBondContact O-N 3.11Å; T618-L622 VanDerWaalsContact O-CB 3.29Å; T618-L622 WeakPolarHBondContact O-CB 3.45Å; T618-L622 WeakPolarHBondContact O-CG 3.26Å; T618-L622 PolarHBondContact O-N 3.5Å
619F94.5Very high93.1Very high65 Ų6546.3 Ų46.329%0.28527%0.27SS..Hα-helixtrans-58.8-48169.9-87.9-59.7000111.5F557 A561 L615 S621 L622 T623F557-F619 HydrophobicContact CD1-CE1 4.06Å; F557-F619 AromaticContact CE1-CD1 3.86Å; F557-F619 HydrophobicContact CE1-CD1 3.86Å; F557-F619 AromaticContact CE1-CE1 3.65Å; F557-F619 HydrophobicContact CE1-CE1 3.65Å; F557-F619 HydrophobicContact CZ-CD1 4.22Å; F557-F619 HydrophobicContact CZ-CE1 4.37Å; A561-F619 HydrophobicContact CB-CD1 3.78Å; A561-F619 HydrophobicContact CB-CD2 4.31Å; A561-F619 HydrophobicContact CB-CE1 3.51Å; A561-F619 HydrophobicContact CB-CE2 4.07Å; A561-F619 HydrophobicContact CB-CG 4.17Å; A561-F619 HydrophobicContact CB-CZ 3.66Å; L615-F619 HydrophobicContact CD1-CD2 3.97Å; L615-F619 HydrophobicContact CD1-CE2 3.68Å; L615-F619 HydrophobicContact CD2-CE2 4.22Å; L615-F619 HydrophobicContact CG-CD2 3.82Å; L615-F619 HydrophobicContact CG-CE2 3.76Å; L615-F619 WeakPolarHBondContact O-CB 2.92Å; L615-F619 VanDerWaalsContact O-CD2 3.3Å; L615-F619 WeakPolarHBondContact O-CD2 3.37Å; L615-F619 PolarHBondContact O-N 2.97Å; F619-S621 PolarHBondContact O-N 3.45Å; F619-L622 PolarHBondContact O-N 3.2Å; F619-T623 WeakPolarHBondContact O-CG2 3.42Å; F619-T623 PolarHBondContact O-N 2.93Å; F619-T623 PolarHBondContact O-OG1 2.72Å
620S94.6Very high93.1Very high11 Ų1145.2 Ų45.28%0.07727%0.265CS..Hα-helixtrans-62.4-30.3-177.777.40000113.6Y616 F617 V625 G626Y616-S620 WeakPolarHBondContact O-CB 3.49Å; Y616-S620 PolarHBondContact O-N 3.44Å; Y616-S620 PolarHBondContact O-OG 3.41Å; F617-S620 PolarHBondContact O-N 3.11Å; F617-S620 PolarHBondContact O-OG 3.15Å; S620-V625 PolarHBondContact O-N 3.01Å; S620-G626 PolarHBondContact O-N 3.09Å
621S94.2Very high93Very high16 Ų1645.9 Ų45.911%0.11227%0.273CS..Hα-helixtrans-79-45.4174.9-171.30000111.7F617 T618 F619 T623 S624 V644F617-S621 PolarHBondContact O-N 2.87Å; T618-S621 PolarHBondContact O-N 3.11Å; F619-S621 PolarHBondContact O-N 3.45Å; S621-T623 VanDerWaalsContact C-N 3.33Å; S621-T623 PolarHBondContact O-N 3.06Å; S621-S624 PolarHBondContact O-N 3.23Å; S621-V644 WeakPolarHBondContact OG-CG1 3.21Å
622L93.3Very high93Very high2 Ų245.1 Ų45.11%0.0127%0.274CS..Hα-helixtrans-66.1-29.4178.4-70.7170.4000113.8F557 A561 L564 T618 F619 S624 V644 I647F557-L622 HydrophobicContact CE2-CB 4.02Å; F557-L622 HydrophobicContact CZ-CB 4.18Å; A561-L622 HydrophobicContact CB-CD1 3.61Å; L564-L622 HydrophobicContact CD1-CD1 4.11Å; L564-L622 HydrophobicContact CD1-CD2 4Å; L564-L622 HydrophobicContact CD1-CG 4.43Å; T618-L622 VanDerWaalsContact O-CB 3.29Å; T618-L622 WeakPolarHBondContact O-CB 3.45Å; T618-L622 WeakPolarHBondContact O-CG 3.26Å; T618-L622 PolarHBondContact O-N 3.5Å; F619-L622 PolarHBondContact O-N 3.2Å; L622-S624 VanDerWaalsContact C-N 3.33Å; L622-V644 HydrophobicContact CD2-CG1 3.97Å; L622-V644 HydrophobicContact CG-CG1 4.04Å; L622-I647 HydrophobicContact CD2-CG2 4.48Å
623T92.5Very high92.7Very high43 Ų4343.8 Ų43.826%0.26426%0.264SS..THydrogen-bonded Turntrans-90.86.6172.664.80000113.2F557 F619 S621 V625F557-T623 HydrophobicContact CE1-CG2 4.32Å; F557-T623 HydrophobicContact CZ-CG2 3.8Å; F619-T623 WeakPolarHBondContact O-CG2 3.42Å; F619-T623 PolarHBondContact O-N 2.93Å; F619-T623 PolarHBondContact O-OG1 2.72Å; S621-T623 VanDerWaalsContact C-N 3.33Å; S621-T623 PolarHBondContact O-N 3.06Å; T623-V625 PolarHBondContact O-N 3.28Å; T623-V625 VanDerWaalsContact O-N 3.15Å; T623-V625 WeakPolarHBondContact OG1-CG2 3.38Å
624S92.6Very high92.6Very high98 Ų9843.7 Ų43.769%0.68526%0.264SS*.THydrogen-bonded Turntrans51.931-176.567.90000115.4S621 L622S621-S624 PolarHBondContact O-N 3.23Å; L622-S624 VanDerWaalsContact C-N 3.33Å
625V94.1Very high92.4Very high81 Ų8149.7 Ų49.749%0.49130%0.296SS..  trans-89.6-37.5179.6175.10000111.5S620 T623 F627S620-V625 PolarHBondContact O-N 3.01Å; T623-V625 PolarHBondContact O-N 3.28Å; T623-V625 VanDerWaalsContact O-N 3.15Å; T623-V625 WeakPolarHBondContact OG1-CG2 3.38Å; V625-F627 HydrophobicContact CB-CE2 4.44Å; V625-F627 HydrophobicContact CG1-CD1 4.02Å; V625-F627 HydrophobicContact CG1-CD2 3.97Å; V625-F627 HydrophobicContact CG1-CE1 3.67Å; V625-F627 HydrophobicContact CG1-CE2 3.62Å; V625-F627 HydrophobicContact CG1-CG 4.16Å; V625-F627 HydrophobicContact CG1-CZ 3.46Å; V625-F627 VanDerWaalsContact CG1-CZ 3.46Å; V625-F627 PolarHBondContact O-N 3.47Å
626G90.2Very high92.2Very high54 Ų5450 Ų5056%0.55730%0.301SS*.  trans57.145.8165.100000116.6S620 G628S620-G626 PolarHBondContact O-N 3.09Å; G626-G628 PolarHBondContact O-N 3.35Å
627F91.6Very high92.1Very high124 Ų12446.3 Ų46.354%0.54429%0.286SS..  trans-52.6-24.8-173.2-67.1-72.9000116.8Y616 V625 N629Y616-F627 AromaticContact CE2-CD2 3.64Å; Y616-F627 HydrophobicContact CE2-CD2 3.64Å; Y616-F627 AromaticContact CE2-CE2 3.85Å; Y616-F627 HydrophobicContact CE2-CE2 3.85Å; Y616-F627 AromaticContact CZ-CD2 3.61Å; Y616-F627 WeakPolarHBondContact OH-CB 3.4Å; Y616-F627 WeakPolarHBondContact OH-CD2 3.39Å; Y616-F627 VanDerWaalsContact OH-CG 3.27Å; Y616-F627 WeakPolarHBondContact OH-CG 3.33Å; V625-F627 HydrophobicContact CB-CE2 4.44Å; V625-F627 HydrophobicContact CG1-CD1 4.02Å; V625-F627 HydrophobicContact CG1-CD2 3.97Å; V625-F627 HydrophobicContact CG1-CE1 3.67Å; V625-F627 HydrophobicContact CG1-CE2 3.62Å; V625-F627 HydrophobicContact CG1-CG 4.16Å; V625-F627 HydrophobicContact CG1-CZ 3.46Å; V625-F627 VanDerWaalsContact CG1-CZ 3.46Å; V625-F627 PolarHBondContact O-N 3.47Å; F627-N629 PolarHBondContact O-N 3.3Å
628G87.6Confident92Very high48 Ų4850.3 Ų50.350%0.49530%0.303SS..SBendtrans87.8-17.8174.100000116.9G626 V630G626-G628 PolarHBondContact O-N 3.35Å; G628-V630 PolarHBondContact O-N 3.06Å; G628-V630 VanDerWaalsContact O-N 3.12Å
629N88.2Confident92.1Very high94 Ų9455.6 Ų55.650%0.50333%0.331SS..SBendtrans-54.4-33.3178.2-61.31.6000113.3Q592 Y616 F627Q592-N629 PolarHBondContact NE2-O 3.29Å; Y616-N629 HydrophobicContact CE1-CB 4.39Å; Y616-N629 PolarHBondContact OH-ND2 2.92Å; F627-N629 PolarHBondContact O-N 3.3Å
630V91.1Very high92.1Very high17 Ų1753.5 Ų53.510%0.10332%0.322CS..SBendtrans-118.5120.4171.5-175.40000106.9W568 W585 T613 Y616 F617 G628W568-V630 HydrophobicContact CZ2-CG1 4.15Å; W585-V630 HydrophobicContact CB-CG1 4.47Å; W585-V630 HydrophobicContact CE3-CG1 3.93Å; T613-V630 HydrophobicContact CG2-CG2 3.4Å; T613-V630 VanDerWaalsContact CG2-CG2 3.4Å; Y616-V630 HydrophobicContact CD1-CG2 4.41Å; F617-V630 HydrophobicContact CB-CB 4.19Å; F617-V630 HydrophobicContact CB-CG1 4.01Å; F617-V630 HydrophobicContact CD2-CB 4.04Å; F617-V630 HydrophobicContact CD2-CG1 3.93Å; F617-V630 WeakPolarHBondContact CD2-O 3.5Å; F617-V630 HydrophobicContact CG-CB 4.42Å; F617-V630 HydrophobicContact CG-CG1 4.04Å; G628-V630 PolarHBondContact O-N 3.06Å; G628-V630 VanDerWaalsContact O-N 3.12Å
631S90.3Very high92.1Very high39 Ų3953.5 Ų53.527%0.27332%0.322SS..  trans-129.5145.7-174.960.70000111.8N633S631-N633 PolarHBondContact O-N 3.44Å; S631-N633 PolarHBondContact O-OD1 2.91Å; S631-N633 PolarHBondContact OG-OD1 2.99Å; S631-N633 VanDerWaalsContact OG-OD1 3.05Å
632P92.4Very high92.1Very high34 Ų3457.7 Ų57.722%0.22134%0.342CS..  trans-75.3113.7172.231.8-35.4000111.1W568 E637 K638W568-P632 HydrophobicContact CH2-CB 4.04Å; P632-E637 VanDerWaalsContact CB-C 3.46Å; P632-E637 HydrophobicContact CB-CB 3.73Å; P632-E637 WeakPolarHBondContact CB-O 3.48Å; P632-K638 HydrophobicContact CB-CG 3.98Å; P632-K638 HydrophobicContact CG-CG 4.34Å; P632-K638 VanDerWaalsContact O-CE 3.24Å; P632-K638 WeakPolarHBondContact O-CE 3.25Å; P632-K638 WeakPolarHBondContact O-CG 3.47Å
633N90.1Very high92.3Very high53 Ų5360.7 Ų60.728%0.28336%0.362SS..  trans-101.4-42.5-177.4-67-13.5000111.7I583 S631 E637 K638I583-N633 HydrophobicContact CG2-CB 3.98Å; I583-N633 WeakPolarHBondContact O-CB 3.27Å; I583-N633 PolarHBondContact O-ND2 3.21Å; S631-N633 PolarHBondContact O-N 3.44Å; S631-N633 PolarHBondContact O-OD1 2.91Å; S631-N633 PolarHBondContact OG-OD1 2.99Å; S631-N633 VanDerWaalsContact OG-OD1 3.05Å; N633-E637 WeakPolarHBondContact CA-OE2 3.35Å; N633-E637 PolarHBondContact N-OE2 2.94Å; N633-K638 VanDerWaalsContact O-CE 3.28Å; N633-K638 WeakPolarHBondContact O-CE 3.41Å; N633-K638 PolarHBondContact O-NZ 3.45Å
634T90.4Very high92.4Very high19 Ų1958.7 Ų58.712%0.11735%0.35CS..SBendtrans-81.7169.3-179.978.70000112.1E575 S636 E637 K638E575-T634 PolarHBondContact OE1-OG1 3.21Å; E575-T634 VanDerWaalsContact OE2-CB 3.25Å; E575-T634 WeakPolarHBondContact OE2-CB 3.44Å; E575-T634 WeakPolarHBondContact OE2-CG2 3.28Å; E575-T634 PolarHBondContact OE2-OG1 3.17Å; T634-S636 PolarHBondContact OG1-OG 3.38Å; T634-E637 PolarHBondContact N-OE2 2.93Å; T634-E637 WeakPolarHBondContact OG1-CB 3.39Å; T634-E637 WeakPolarHBondContact OG1-CG 3.4Å; T634-E637 PolarHBondContact OG1-N 3.33Å; T634-K638 WeakPolarHBondContact O-CB 3.43Å; T634-K638 WeakPolarHBondContact O-CD 3.32Å; T634-K638 WeakPolarHBondContact O-CG 3.43Å; T634-K638 PolarHBondContact O-N 3.31Å
635N91.2Very high92.5Very high126 Ų12658.6 Ų58.667%0.67434%0.34SS*.Hα-helixtrans-70-37.1-178.9-70.2-20.3000112.1K638 I639N635-K638 PolarHBondContact O-N 3.43Å; N635-I639 WeakPolarHBondContact O-CD1 3.44Å; N635-I639 VanDerWaalsContact O-CG1 3.27Å; N635-I639 WeakPolarHBondContact O-CG1 3.4Å; N635-I639 PolarHBondContact O-N 2.98Å
636S91.1Very high92.5Very high40 Ų4059.8 Ų59.828%0.2834%0.342SS..Hα-helixtrans-70-43.2176.874.90000111.1I571 E575 T634 K638 I639 F640I571-S636 WeakPolarHBondContact CG2-OG 3.41Å; E575-S636 WeakPolarHBondContact OE1-CB 3.45Å; E575-S636 PolarHBondContact OE1-OG 3.36Å; E575-S636 PolarHBondContact OE2-OG 3.37Å; T634-S636 PolarHBondContact OG1-OG 3.38Å; S636-K638 VanDerWaalsContact C-N 3.29Å; S636-K638 PolarHBondContact O-N 3.01Å; S636-I639 PolarHBondContact O-N 3.22Å; S636-F640 WeakPolarHBondContact O-CB 3.38Å; S636-F640 PolarHBondContact O-N 3.37Å
637E93.6Very high92.6Very high0 Ų060.4 Ų60.40%033%0.332CS..Hα-helixtrans-56.5-42.7173.9-73.3172175.100111.6W568 I571 G584 W585 P632 N633 T634 S641W568-E637 HydrophobicContact CH2-CB 3.78Å; W568-E637 HydrophobicContact CH2-CG 3.78Å; W568-E637 HydrophobicContact CZ3-CB 3.73Å; W568-E637 HydrophobicContact CZ3-CG 3.82Å; I571-E637 HydrophobicContact CG2-CG 4.27Å; G584-E637 WeakPolarHBondContact CA-OE1 3.36Å; W585-E637 VanDerWaalsContact CD1-OE1 3.25Å; W585-E637 PolarHBondContact N-OE1 2.72Å; P632-E637 VanDerWaalsContact CB-C 3.46Å; P632-E637 HydrophobicContact CB-CB 3.73Å; P632-E637 WeakPolarHBondContact CB-O 3.48Å; N633-E637 WeakPolarHBondContact CA-OE2 3.35Å; N633-E637 PolarHBondContact N-OE2 2.94Å; T634-E637 PolarHBondContact N-OE2 2.93Å; T634-E637 WeakPolarHBondContact OG1-CB 3.39Å; T634-E637 WeakPolarHBondContact OG1-CG 3.4Å; T634-E637 PolarHBondContact OG1-N 3.33Å; E637-S641 WeakPolarHBondContact O-CB 3.36Å; E637-S641 PolarHBondContact O-N 3.16Å
638K94.1Very high92.7Very high92 Ų9254.6 Ų54.640%0.431%0.307SS..Hα-helixtrans-67.3-44.9178.1-76.6165.3178.6154.60112.4P632 N633 T634 N635 S636 S641 I642P632-K638 HydrophobicContact CB-CG 3.98Å; P632-K638 HydrophobicContact CG-CG 4.34Å; P632-K638 VanDerWaalsContact O-CE 3.24Å; P632-K638 WeakPolarHBondContact O-CE 3.25Å; P632-K638 WeakPolarHBondContact O-CG 3.47Å; N633-K638 VanDerWaalsContact O-CE 3.28Å; N633-K638 WeakPolarHBondContact O-CE 3.41Å; N633-K638 PolarHBondContact O-NZ 3.45Å; T634-K638 WeakPolarHBondContact O-CB 3.43Å; T634-K638 WeakPolarHBondContact O-CD 3.32Å; T634-K638 WeakPolarHBondContact O-CG 3.43Å; T634-K638 PolarHBondContact O-N 3.31Å; N635-K638 PolarHBondContact O-N 3.43Å; S636-K638 VanDerWaalsContact C-N 3.29Å; S636-K638 PolarHBondContact O-N 3.01Å; K638-S641 PolarHBondContact O-N 2.74Å; K638-I642 WeakPolarHBondContact O-CG1 3.42Å; K638-I642 PolarHBondContact O-N 3.28Å
639I95.7Very high93Very high111 Ų11155.8 Ų55.857%0.56931%0.308SS*.Hα-helixtrans-61.1-46175.6-69.7164.6000110.2N635 S636 S641 I642 C643N635-I639 WeakPolarHBondContact O-CD1 3.44Å; N635-I639 VanDerWaalsContact O-CG1 3.27Å; N635-I639 WeakPolarHBondContact O-CG1 3.4Å; N635-I639 PolarHBondContact O-N 2.98Å; S636-I639 PolarHBondContact O-N 3.22Å; I639-S641 PolarHBondContact O-N 2.66Å; I639-I642 PolarHBondContact O-N 3Å; I639-C643 PolarHBondContact O-N 3.44Å; I639-C643 PolarHBondContact O-SG 2.9Å
640F95.4Very high93.1Very high22 Ų2256.8 Ų56.810%0.09631%0.313CS..Hα-helixtrans-59.1-45.7175.6178.4-96.7000111.9L564 I567 W568 I571 S636 I642 C643 V644L564-F640 HydrophobicContact CB-CZ 4.09Å; L564-F640 HydrophobicContact CD2-CE2 3.95Å; L564-F640 HydrophobicContact CD2-CZ 3.92Å; L564-F640 WeakPolarHBondContact O-CZ 3.29Å; I567-F640 HydrophobicContact CB-CE2 3.96Å; I567-F640 HydrophobicContact CB-CZ 4.3Å; I567-F640 HydrophobicContact CG2-CD2 3.98Å; I567-F640 HydrophobicContact CG2-CE2 3.45Å; I567-F640 VanDerWaalsContact CG2-CE2 3.45Å; I567-F640 HydrophobicContact CG2-CZ 4.21Å; W568-F640 HydrophobicContact CB-CE1 3.91Å; W568-F640 HydrophobicContact CB-CZ 4.26Å; W568-F640 HydrophobicContact CD2-CD1 4.39Å; W568-F640 HydrophobicContact CD2-CE1 4.28Å; W568-F640 AromaticContact CE3-CD1 3.37Å; W568-F640 HydrophobicContact CE3-CD1 3.37Å; W568-F640 AromaticContact CE3-CE1 3.67Å; W568-F640 HydrophobicContact CE3-CE1 3.67Å; W568-F640 HydrophobicContact CE3-CG 4.32Å; W568-F640 HydrophobicContact CG-CE1 4.42Å; W568-F640 AromaticContact CZ3-CD1 3.87Å; W568-F640 HydrophobicContact CZ3-CD1 3.87Å; I571-F640 HydrophobicContact CD1-CB 3.8Å; I571-F640 HydrophobicContact CD1-CD1 4.39Å; I571-F640 HydrophobicContact CD1-CD2 3.69Å; I571-F640 HydrophobicContact CD1-CE2 4.38Å; I571-F640 HydrophobicContact CD1-CG 3.69Å; S636-F640 WeakPolarHBondContact O-CB 3.38Å; S636-F640 PolarHBondContact O-N 3.37Å; F640-I642 VanDerWaalsContact C-N 3.33Å; F640-I642 PolarHBondContact O-N 2.94Å; F640-C643 WeakPolarHBondContact O-CB 3.32Å; F640-C643 PolarHBondContact O-N 2.84Å; F640-C643 VanDerWaalsContact O-N 3.13Å; F640-V644 HydrophobicContact CD1-CG2 3.89Å; F640-V644 HydrophobicContact CE1-CG2 3.43Å; F640-V644 VanDerWaalsContact CE1-CG2 3.43Å; F640-V644 HydrophobicContact CE2-CG2 4.08Å; F640-V644 HydrophobicContact CG-CG2 4.42Å; F640-V644 HydrophobicContact CZ-CG2 3.54Å; F640-V644 WeakPolarHBondContact O-CG2 3.35Å; F640-V644 PolarHBondContact O-N 2.73Å
641S94.5Very high93.1Very high11 Ų1157.4 Ų57.48%0.07732%0.315CS..Hα-helixtrans-60.1-40.4177-169.90000112.6E637 K638 I639 C643 V644 M645E637-S641 WeakPolarHBondContact O-CB 3.36Å; E637-S641 PolarHBondContact O-N 3.16Å; K638-S641 PolarHBondContact O-N 2.74Å; I639-S641 PolarHBondContact O-N 2.66Å; S641-C643 VanDerWaalsContact C-N 3.35Å; S641-C643 PolarHBondContact O-N 3.39Å; S641-V644 PolarHBondContact O-N 3.25Å; S641-M645 WeakPolarHBondContact O-CG 3.49Å; S641-M645 PolarHBondContact O-N 3.39Å
642I95Very high93Very high104 Ų10460.2 Ų60.253%0.53332%0.32SS..Hα-helixtrans-60.3-44.2173.8-68.4164000111K638 I639 F640 M645 L646K638-I642 WeakPolarHBondContact O-CG1 3.42Å; K638-I642 PolarHBondContact O-N 3.28Å; I639-I642 PolarHBondContact O-N 3Å; F640-I642 VanDerWaalsContact C-N 3.33Å; F640-I642 PolarHBondContact O-N 2.94Å; I642-M645 HydrophobicContact CG1-CE 4.13Å; I642-M645 PolarHBondContact O-N 3.15Å; I642-L646 PolarHBondContact O-N 3.21Å; I642-L646 VanDerWaalsContact O-N 3.09Å
643C95.6Very high93Very high65 Ų6561.8 Ų61.844%0.43934%0.336SS..Hα-helixtrans-62.5-42.8174.6-65.70000112.3I639 F640 S641 L646 I647I639-C643 PolarHBondContact O-N 3.44Å; I639-C643 PolarHBondContact O-SG 2.9Å; F640-C643 WeakPolarHBondContact O-CB 3.32Å; F640-C643 PolarHBondContact O-N 2.84Å; F640-C643 VanDerWaalsContact O-N 3.13Å; S641-C643 VanDerWaalsContact C-N 3.35Å; S641-C643 PolarHBondContact O-N 3.39Å; C643-L646 PolarHBondContact O-N 3.24Å; C643-I647 WeakPolarHBondContact O-CB 3.3Å; C643-I647 VanDerWaalsContact O-CG1 3.27Å; C643-I647 WeakPolarHBondContact O-CG1 3.47Å; C643-I647 PolarHBondContact O-N 3.02Å
644V95.4Very high92.9Very high0 Ų062.1 Ų62.10%034%0.343CS..Hα-helixtrans-65-41.1177.61760000111.8L564 S621 L622 F640 S641 I647 G648L564-V644 HydrophobicContact CD1-CG1 4.37Å; L564-V644 HydrophobicContact CD1-CG2 4.18Å; L564-V644 HydrophobicContact CD2-CG2 4.09Å; S621-V644 WeakPolarHBondContact OG-CG1 3.21Å; L622-V644 HydrophobicContact CD2-CG1 3.97Å; L622-V644 HydrophobicContact CG-CG1 4.04Å; F640-V644 HydrophobicContact CD1-CG2 3.89Å; F640-V644 HydrophobicContact CE1-CG2 3.43Å; F640-V644 VanDerWaalsContact CE1-CG2 3.43Å; F640-V644 HydrophobicContact CE2-CG2 4.08Å; F640-V644 HydrophobicContact CG-CG2 4.42Å; F640-V644 HydrophobicContact CZ-CG2 3.54Å; F640-V644 WeakPolarHBondContact O-CG2 3.35Å; F640-V644 PolarHBondContact O-N 2.73Å; S641-V644 PolarHBondContact O-N 3.25Å; V644-I647 PolarHBondContact O-N 3.46Å; V644-G648 WeakPolarHBondContact O-CA 3.11Å; V644-G648 PolarHBondContact O-N 2.88Å
645M94Very high92.8Very high97 Ų9761.9 Ų61.948%0.47834%0.341SS..Hα-helixtrans-64.2-41.1176.6-71.9-175.7-66.600111.9S641 I642 G648 S649S641-M645 WeakPolarHBondContact O-CG 3.49Å; S641-M645 PolarHBondContact O-N 3.39Å; I642-M645 HydrophobicContact CG1-CE 4.13Å; I642-M645 PolarHBondContact O-N 3.15Å; M645-G648 PolarHBondContact O-N 3.43Å; M645-S649 PolarHBondContact O-N 3.2Å
646L94.8Very high92.7Very high105 Ų10561.3 Ų61.355%0.5533%0.333SS..Hα-helixtrans-63.9-50.5176.3-169.1158000111I642 C643 G648 S649 L650I642-L646 PolarHBondContact O-N 3.21Å; I642-L646 VanDerWaalsContact O-N 3.09Å; C643-L646 PolarHBondContact O-N 3.24Å; L646-G648 VanDerWaalsContact C-N 3.33Å; L646-G648 PolarHBondContact O-N 3.48Å; L646-S649 PolarHBondContact O-N 3.22Å; L646-S649 PolarHBondContact O-OG 2.88Å; L646-L650 HydrophobicContact CD2-CD1 3.81Å; L646-L650 PolarHBondContact O-N 3.09Å
647I93.1Very high92.7Very high67 Ų6761.5 Ų61.534%0.34434%0.341SS..Hα-helixtrans-59.6-45.2176.6-68.8166.2000110.6L622 C643 V644 S649 L650 M651L622-I647 HydrophobicContact CD2-CG2 4.48Å; C643-I647 WeakPolarHBondContact O-CB 3.3Å; C643-I647 VanDerWaalsContact O-CG1 3.27Å; C643-I647 WeakPolarHBondContact O-CG1 3.47Å; C643-I647 PolarHBondContact O-N 3.02Å; V644-I647 PolarHBondContact O-N 3.46Å; I647-S649 PolarHBondContact O-N 3.1Å; I647-L650 PolarHBondContact O-N 2.94Å; I647-M651 HydrophobicContact CG2-CG 4.17Å; I647-M651 HydrophobicContact CG2-SD 3.78Å; I647-M651 WeakPolarHBondContact O-CB 3.41Å; I647-M651 VanDerWaalsContact O-CG 3.3Å; I647-M651 WeakPolarHBondContact O-CG 3.29Å; I647-M651 PolarHBondContact O-N 3.35Å
648G93Very high92.4Very high2 Ų264.7 Ų64.72%0.02136%0.358CS..Hα-helixtrans-57.5-48.5178.200000112.6V644 M645 L646 L650 M651 Y652V644-G648 WeakPolarHBondContact O-CA 3.11Å; V644-G648 PolarHBondContact O-N 2.88Å; M645-G648 PolarHBondContact O-N 3.43Å; L646-G648 VanDerWaalsContact C-N 3.33Å; L646-G648 PolarHBondContact O-N 3.48Å; G648-L650 PolarHBondContact O-N 3.21Å; G648-M651 PolarHBondContact O-N 2.94Å; G648-Y652 VanDerWaalsContact O-CB 3.22Å; G648-Y652 WeakPolarHBondContact O-CB 3.36Å; G648-Y652 PolarHBondContact O-N 3.12Å
649S92.9Very high92.1Very high74 Ų7462 Ų6252%0.51735%0.349SS..Hα-helixtrans-59.1-43.9178.771.60000112.9M645 L646 I647 A653M645-S649 PolarHBondContact O-N 3.2Å; L646-S649 PolarHBondContact O-N 3.22Å; L646-S649 PolarHBondContact O-OG 2.88Å; I647-S649 PolarHBondContact O-N 3.1Å; S649-A653 WeakPolarHBondContact O-CB 3.29Å; S649-A653 PolarHBondContact O-N 3.4Å; S649-A653 VanDerWaalsContact O-N 3.08Å
650L91.8Very high91.9Very high114 Ų11459.4 Ų59.460%0.59734%0.341SS*.Hα-helixtrans-67.5-42.2177.3-68.2174.2000112.1L646 I647 G648 S654L646-L650 HydrophobicContact CD2-CD1 3.81Å; L646-L650 PolarHBondContact O-N 3.09Å; I647-L650 PolarHBondContact O-N 2.94Å; G648-L650 PolarHBondContact O-N 3.21Å; L650-S654 VanDerWaalsContact O-CB 3.31Å; L650-S654 WeakPolarHBondContact O-CB 3.42Å; L650-S654 PolarHBondContact O-N 3.07Å
651M90.1Very high91.5Very high30 Ų3060.8 Ų60.815%0.14836%0.356CS..Hα-helixtrans-65.5-46.3177.1-75.4-171.274.700111.9F557 I560 I647 G648 S654 I655F557-M651 HydrophobicContact CD2-CE 4Å; I560-M651 HydrophobicContact CB-CE 3.98Å; I560-M651 HydrophobicContact CB-SD 4.2Å; I560-M651 HydrophobicContact CD1-CE 3.43Å; I560-M651 VanDerWaalsContact CD1-CE 3.43Å; I560-M651 HydrophobicContact CD1-SD 3.95Å; I560-M651 HydrophobicContact CG1-CE 4.28Å; I560-M651 HydrophobicContact CG2-CE 4.12Å; I560-M651 HydrophobicContact CG2-SD 3.65Å; I647-M651 HydrophobicContact CG2-CG 4.17Å; I647-M651 HydrophobicContact CG2-SD 3.78Å; I647-M651 WeakPolarHBondContact O-CB 3.41Å; I647-M651 VanDerWaalsContact O-CG 3.3Å; I647-M651 WeakPolarHBondContact O-CG 3.29Å; I647-M651 PolarHBondContact O-N 3.35Å; G648-M651 PolarHBondContact O-N 2.94Å; M651-S654 WeakPolarHBondContact O-CB 3.41Å; M651-S654 PolarHBondContact O-N 3.48Å; M651-I655 WeakPolarHBondContact O-CB 3.37Å; M651-I655 WeakPolarHBondContact O-CD1 3.46Å; M651-I655 WeakPolarHBondContact O-CG1 3.37Å; M651-I655 PolarHBondContact O-N 3.3Å
652Y89Confident91.1Very high98 Ų9862 Ų6238%0.38436%0.361SS..Hα-helixtrans-60.7-47.6179.6-168.6-88.3000110.9G648 S654 I655 F656G648-Y652 VanDerWaalsContact O-CB 3.22Å; G648-Y652 WeakPolarHBondContact O-CB 3.36Å; G648-Y652 PolarHBondContact O-N 3.12Å; Y652-S654 PolarHBondContact O-N 2.85Å; Y652-I655 PolarHBondContact O-N 3.3Å; Y652-F656 AromaticContact CD1-CD2 3.9Å; Y652-F656 HydrophobicContact CD1-CD2 3.9Å; Y652-F656 HydrophobicContact CD1-CE2 4.2Å; Y652-F656 HydrophobicContact CD2-CD2 4.39Å; Y652-F656 HydrophobicContact CD2-CE2 4.09Å; Y652-F656 AromaticContact CE1-CD2 3.67Å; Y652-F656 HydrophobicContact CE1-CD2 3.67Å; Y652-F656 AromaticContact CE1-CE2 3.65Å; Y652-F656 HydrophobicContact CE1-CE2 3.65Å; Y652-F656 HydrophobicContact CE1-CG 4.46Å; Y652-F656 HydrophobicContact CE1-CZ 4.4Å; Y652-F656 HydrophobicContact CE2-CD2 4.19Å; Y652-F656 AromaticContact CE2-CE2 3.53Å; Y652-F656 HydrophobicContact CE2-CE2 3.53Å; Y652-F656 HydrophobicContact CE2-CZ 4.36Å; Y652-F656 HydrophobicContact CG-CD2 4.25Å; Y652-F656 HydrophobicContact CG-CE2 4.39Å; Y652-F656 AromaticContact CZ-CD2 3.83Å; Y652-F656 AromaticContact CZ-CE2 3.28Å; Y652-F656 AromaticContact CZ-CZ 3.89Å; Y652-F656 WeakPolarHBondContact O-CD2 3.1Å; Y652-F656 PolarHBondContact O-N 3.06Å; Y652-F656 WeakPolarHBondContact OH-CE2 3.42Å
653A91.8Very high90.7Very high67 Ų6761.2 Ų61.255%0.55436%0.357SS*.Hα-helixtrans-58.9-44.2174.200000112.4S649 G657S649-A653 WeakPolarHBondContact O-CB 3.29Å; S649-A653 PolarHBondContact O-N 3.4Å; S649-A653 VanDerWaalsContact O-N 3.08Å; A653-G657 PolarHBondContact O-N 2.89Å
654S87.8Confident90.3Very high60 Ų6064.6 Ų64.642%0.4237%0.367SS..Hα-helixtrans-63-41.5176.2-176.70000112.6L650 M651 Y652 N658L650-S654 VanDerWaalsContact O-CB 3.31Å; L650-S654 WeakPolarHBondContact O-CB 3.42Å; L650-S654 PolarHBondContact O-N 3.07Å; M651-S654 WeakPolarHBondContact O-CB 3.41Å; M651-S654 PolarHBondContact O-N 3.48Å; Y652-S654 PolarHBondContact O-N 2.85Å; S654-N658 WeakPolarHBondContact O-CB 3.23Å; S654-N658 PolarHBondContact O-N 2.92Å; S654-N658 PolarHBondContact O-ND2 3.02Å; S654-N658 PolarHBondContact OG-ND2 3.38Å
655I89Confident89.8Confident14 Ų1472.3 Ų72.37%0.07240%0.396CS..Hα-helixtrans-63.4-52.5178.7-71.8162.4000110.6L553 M554 F557 M651 Y652 G657 N658 V659L553-I655 HydrophobicContact CD1-CG1 4.06Å; L553-I655 HydrophobicContact CD2-CG1 4.42Å; L553-I655 HydrophobicContact CG-CG1 4.05Å; M554-I655 HydrophobicContact CE-CG2 3.62Å; F557-I655 HydrophobicContact CB-CD1 3.89Å; F557-I655 HydrophobicContact CD2-CD1 3.41Å; F557-I655 VanDerWaalsContact CD2-CD1 3.41Å; F557-I655 HydrophobicContact CE2-CD1 4.11Å; F557-I655 HydrophobicContact CG-CD1 3.77Å; M651-I655 WeakPolarHBondContact O-CB 3.37Å; M651-I655 WeakPolarHBondContact O-CD1 3.46Å; M651-I655 WeakPolarHBondContact O-CG1 3.37Å; M651-I655 PolarHBondContact O-N 3.3Å; Y652-I655 PolarHBondContact O-N 3.3Å; I655-G657 PolarHBondContact O-N 3.13Å; I655-N658 PolarHBondContact O-N 3.44Å; I655-V659 HydrophobicContact CG2-CG2 4.45Å; I655-V659 WeakPolarHBondContact O-CB 3.28Å; I655-V659 VanDerWaalsContact O-CG2 3.3Å; I655-V659 WeakPolarHBondContact O-CG2 3.35Å; I655-V659 PolarHBondContact O-N 2.96Å
656F88.4Confident89.3Confident115 Ų11572.8 Ų72.850%0.50440%0.4SS..Hα-helixtrans-66.6-36.2-179.4-84.4-93.9000112.7Y652 S660Y652-F656 AromaticContact CD1-CD2 3.9Å; Y652-F656 HydrophobicContact CD1-CD2 3.9Å; Y652-F656 HydrophobicContact CD1-CE2 4.2Å; Y652-F656 HydrophobicContact CD2-CD2 4.39Å; Y652-F656 HydrophobicContact CD2-CE2 4.09Å; Y652-F656 AromaticContact CE1-CD2 3.67Å; Y652-F656 HydrophobicContact CE1-CD2 3.67Å; Y652-F656 AromaticContact CE1-CE2 3.65Å; Y652-F656 HydrophobicContact CE1-CE2 3.65Å; Y652-F656 HydrophobicContact CE1-CG 4.46Å; Y652-F656 HydrophobicContact CE1-CZ 4.4Å; Y652-F656 HydrophobicContact CE2-CD2 4.19Å; Y652-F656 AromaticContact CE2-CE2 3.53Å; Y652-F656 HydrophobicContact CE2-CE2 3.53Å; Y652-F656 HydrophobicContact CE2-CZ 4.36Å; Y652-F656 HydrophobicContact CG-CD2 4.25Å; Y652-F656 HydrophobicContact CG-CE2 4.39Å; Y652-F656 AromaticContact CZ-CD2 3.83Å; Y652-F656 AromaticContact CZ-CE2 3.28Å; Y652-F656 AromaticContact CZ-CZ 3.89Å; Y652-F656 WeakPolarHBondContact O-CD2 3.1Å; Y652-F656 PolarHBondContact O-N 3.06Å; Y652-F656 WeakPolarHBondContact OH-CE2 3.42Å; F656-S660 VanDerWaalsContact O-CB 3.25Å; F656-S660 WeakPolarHBondContact O-CB 3.38Å; F656-S660 PolarHBondContact O-N 3.38Å
657G90.7Very high89Confident44 Ų4473.9 Ų73.945%0.45440%0.397SS..Hα-helixtrans-60.1-49.7172.800000112.7A653 I655 S660 A661A653-G657 PolarHBondContact O-N 2.89Å; I655-G657 PolarHBondContact O-N 3.13Å; G657-S660 PolarHBondContact O-N 2.97Å; G657-A661 PolarHBondContact O-N 3.41Å
658N88.2Confident88.7Confident66 Ų6674 Ų7435%0.35341%0.405SS..Hα-helixtrans-65.6-42.8178.1-80.1-71.7000112.6L553 S654 I655 A661 I662L553-N658 HydrophobicContact CD2-CB 3.5Å; L553-N658 VanDerWaalsContact CD2-CB 3.5Å; S654-N658 WeakPolarHBondContact O-CB 3.23Å; S654-N658 PolarHBondContact O-N 2.92Å; S654-N658 PolarHBondContact O-ND2 3.02Å; S654-N658 PolarHBondContact OG-ND2 3.38Å; I655-N658 PolarHBondContact O-N 3.44Å; N658-A661 PolarHBondContact O-N 2.97Å; N658-I662 WeakPolarHBondContact O-CB 3.31Å; N658-I662 VanDerWaalsContact O-CG1 3.25Å; N658-I662 WeakPolarHBondContact O-CG1 3.3Å; N658-I662 PolarHBondContact O-N 3.46Å
659V88.2Confident88.3Confident35 Ų3575.9 Ų75.921%0.21242%0.423CS..Hα-helixtrans-62.2-44.3177.1169.30000110.9L550 I655 A661 I662 I663L550-V659 HydrophobicContact CD1-CG2 4.29Å; I655-V659 HydrophobicContact CG2-CG2 4.45Å; I655-V659 WeakPolarHBondContact O-CB 3.28Å; I655-V659 VanDerWaalsContact O-CG2 3.3Å; I655-V659 WeakPolarHBondContact O-CG2 3.35Å; I655-V659 PolarHBondContact O-N 2.96Å; V659-A661 PolarHBondContact O-N 3.24Å; V659-I662 PolarHBondContact O-N 3.38Å; V659-I663 HydrophobicContact CG1-CD1 3.81Å; V659-I663 HydrophobicContact CG1-CG1 4.49Å; V659-I663 VanDerWaalsContact O-CG1 3.31Å; V659-I663 WeakPolarHBondContact O-CG1 3.33Å; V659-I663 PolarHBondContact O-N 3.28Å
660S90.1Very high88.2Confident58 Ų5875.9 Ų75.941%0.40642%0.42SS..Hα-helixtrans-59.7-47.1176-1720000112F656 G657 I662 I663 Q664F656-S660 VanDerWaalsContact O-CB 3.25Å; F656-S660 WeakPolarHBondContact O-CB 3.38Å; F656-S660 PolarHBondContact O-N 3.38Å; G657-S660 PolarHBondContact O-N 2.97Å; S660-I662 VanDerWaalsContact C-N 3.34Å; S660-I662 PolarHBondContact O-N 2.95Å; S660-I663 PolarHBondContact O-N 2.95Å; S660-Q664 WeakPolarHBondContact O-CG 3.25Å; S660-Q664 PolarHBondContact O-N 3.39Å
661A88.2Confident88.1Confident51 Ų5173 Ų7342%0.42141%0.413SS..Hα-helixtrans-62.6-37.1176.600000113G657 N658 V659 R665G657-A661 PolarHBondContact O-N 3.41Å; N658-A661 PolarHBondContact O-N 2.97Å; V659-A661 PolarHBondContact O-N 3.24Å; A661-R665 VanDerWaalsContact O-CB 3.3Å; A661-R665 WeakPolarHBondContact O-CB 3.49Å; A661-R665 PolarHBondContact O-N 3.21Å
662I86.3Confident88.2Confident35 Ų3577.8 Ų77.818%0.17943%0.43CS..Hα-helixtrans-66.7-42.2175.4-70.8165.7000111.1V549 L550 N658 V659 S660 R665 L666V549-I662 HydrophobicContact CB-CD1 4.2Å; V549-I662 HydrophobicContact CG1-CD1 4.06Å; L550-I662 HydrophobicContact CB-CD1 4.19Å; N658-I662 WeakPolarHBondContact O-CB 3.31Å; N658-I662 VanDerWaalsContact O-CG1 3.25Å; N658-I662 WeakPolarHBondContact O-CG1 3.3Å; N658-I662 PolarHBondContact O-N 3.46Å; V659-I662 PolarHBondContact O-N 3.38Å; S660-I662 VanDerWaalsContact C-N 3.34Å; S660-I662 PolarHBondContact O-N 2.95Å; I662-R665 PolarHBondContact O-N 3.35Å; I662-L666 WeakPolarHBondContact O-CB 3.48Å; I662-L666 PolarHBondContact O-N 2.89Å
663I86.2Confident88.4Confident88 Ų8875.5 Ų75.545%0.45142%0.421SS..Hα-helixtrans-61.7-49.8175.9-70.1166.9000110.4V659 S660 R665 L666 Y667V659-I663 HydrophobicContact CG1-CD1 3.81Å; V659-I663 HydrophobicContact CG1-CG1 4.49Å; V659-I663 VanDerWaalsContact O-CG1 3.31Å; V659-I663 WeakPolarHBondContact O-CG1 3.33Å; V659-I663 PolarHBondContact O-N 3.28Å; S660-I663 PolarHBondContact O-N 2.95Å; I663-R665 VanDerWaalsContact C-N 3.32Å; I663-R665 PolarHBondContact O-N 2.95Å; I663-L666 PolarHBondContact O-N 2.91Å; I663-Y667 HydrophobicContact CG2-CD2 3.87Å; I663-Y667 HydrophobicContact CG2-CE2 4.12Å; I663-Y667 WeakPolarHBondContact O-CD2 3.3Å; I663-Y667 PolarHBondContact O-N 2.92Å
664Q87.8Confident88.5Confident136 Ų13677.2 Ų77.264%0.63642%0.417SS*.Hα-helixtrans-58.1-42.9176.8-70.5175.70.800112S660 S668S660-Q664 WeakPolarHBondContact O-CG 3.25Å; S660-Q664 PolarHBondContact O-N 3.39Å; Q664-S668 PolarHBondContact O-N 2.92Å; Q664-S668 VanDerWaalsContact O-N 3.11Å
665R84.9Confident88.8Confident162 Ų16277.4 Ų77.461%0.61142%0.416SS*.Hα-helixtrans-63.7-41.9176.7-177.1175172.8-165.5-5.9112.2A661 I662 I663 S668A661-R665 VanDerWaalsContact O-CB 3.3Å; A661-R665 WeakPolarHBondContact O-CB 3.49Å; A661-R665 PolarHBondContact O-N 3.21Å; I662-R665 PolarHBondContact O-N 3.35Å; I663-R665 VanDerWaalsContact C-N 3.32Å; I663-R665 PolarHBondContact O-N 2.95Å; R665-S668 WeakPolarHBondContact O-CB 3.49Å; R665-S668 PolarHBondContact O-OG 3.39Å
666L83.5Confident89Confident108 Ų10879.5 Ų79.557%0.56543%0.425SS*.Hα-helixtrans-65.7-45.8179.8-177.163.4000112I662 I663 S668I662-L666 WeakPolarHBondContact O-CB 3.48Å; I662-L666 PolarHBondContact O-N 2.89Å; I663-L666 PolarHBondContact O-N 2.91Å; L666-S668 VanDerWaalsContact C-N 3.32Å; L666-S668 PolarHBondContact O-N 3.41Å
667Y88.1Confident89.2Confident127 Ų12774.2 Ų74.250%0.49840%0.402SS..Hα-helixtrans-83.7-1-178.3-70.5-70.5000114.7I663 G669 T670 A671I663-Y667 HydrophobicContact CG2-CD2 3.87Å; I663-Y667 HydrophobicContact CG2-CE2 4.12Å; I663-Y667 WeakPolarHBondContact O-CD2 3.3Å; I663-Y667 PolarHBondContact O-N 2.92Å; Y667-G669 VanDerWaalsContact C-N 3.32Å; Y667-G669 PolarHBondContact O-N 3.43Å; Y667-T670 PolarHBondContact O-N 3.47Å; Y667-T670 VanDerWaalsContact O-N 3.11Å; Y667-A671 WeakPolarHBondContact O-CB 3.29Å; Y667-A671 PolarHBondContact O-N 2.98Å
668S87.5Confident89.4Confident71 Ų7176.7 Ų76.750%0.49741%0.405SS..Hα-helixtrans-51.6-42-176.559.90000114.7Q664 R665 L666 R672Q664-S668 PolarHBondContact O-N 2.92Å; Q664-S668 VanDerWaalsContact O-N 3.11Å; R665-S668 WeakPolarHBondContact O-CB 3.49Å; R665-S668 PolarHBondContact O-OG 3.39Å; L666-S668 VanDerWaalsContact C-N 3.32Å; L666-S668 PolarHBondContact O-N 3.41Å; S668-R672 WeakPolarHBondContact O-CB 3.35Å; S668-R672 PolarHBondContact O-N 3.25Å
669G84.6Confident89.8Confident40 Ų4080.4 Ų80.441%0.41241%0.414SS..Hα-helixtrans-65.1-47.1176.800000112.9Y667 R672 Y673Y667-G669 VanDerWaalsContact C-N 3.32Å; Y667-G669 PolarHBondContact O-N 3.43Å; G669-R672 PolarHBondContact O-N 3.48Å; G669-Y673 PolarHBondContact O-N 3.47Å
670T90Very high90.2Very high74 Ų7480.4 Ų80.445%0.45441%0.413SS..Hα-helixtrans-67.1-40178.8-48.30000111.7Y667 R672 Y673 H674Y667-T670 PolarHBondContact O-N 3.47Å; Y667-T670 VanDerWaalsContact O-N 3.11Å; T670-R672 PolarHBondContact O-N 3.25Å; T670-Y673 WeakPolarHBondContact O-CB 3.37Å; T670-Y673 PolarHBondContact O-N 3.29Å; T670-H674 PolarHBondContact O-CD2 3.38Å; T670-H674 PolarHBondContact O-N 3.2Å
671A90.5Very high90.4Very high54 Ų5483 Ų8345%0.44641%0.414SS..Hα-helixtrans-61.1-43.2172.800000111.4Y667 H674 T675Y667-A671 WeakPolarHBondContact O-CB 3.29Å; Y667-A671 PolarHBondContact O-N 2.98Å; A671-H674 PolarHBondContact O-N 3.08Å; A671-T675 WeakPolarHBondContact O-CB 3.34Å; A671-T675 PolarHBondContact O-N 2.98Å; A671-T675 PolarHBondContact O-OG1 2.92Å
672R91.2Very high90.7Very high130 Ų13085.6 Ų85.649%0.49142%0.418SS..Hα-helixtrans-63.4-42.2174.6-169.7-176.5166.7-178.4-5.3111.8S668 G669 T670 T675 Q676 W705 G710S668-R672 WeakPolarHBondContact O-CB 3.35Å; S668-R672 PolarHBondContact O-N 3.25Å; G669-R672 PolarHBondContact O-N 3.48Å; T670-R672 PolarHBondContact O-N 3.25Å; R672-T675 PolarHBondContact O-N 3.48Å; R672-Q676 HydrophobicContact CG-CG 4.49Å; R672-Q676 WeakPolarHBondContact O-CG 3.5Å; R672-Q676 PolarHBondContact O-N 3.16Å; R672-W705 HydrophobicContact CB-CH2 4.1Å; R672-W705 HydrophobicContact CG-CH2 3.83Å; R672-G710 PolarHBondContact NH1-O 2.84Å; R672-G710 PolarHBondContact NH2-O 3.28Å
673Y92.9Very high91.2Very high51 Ų5189.2 Ų89.220%0.243%0.433CS..Hα-helixtrans-56.4-54.3174.9172.1-113.3000111.6G669 T670 T675 Q676 M677 F701 W705G669-Y673 PolarHBondContact O-N 3.47Å; T670-Y673 WeakPolarHBondContact O-CB 3.37Å; T670-Y673 PolarHBondContact O-N 3.29Å; Y673-T675 PolarHBondContact O-N 3.27Å; Y673-Q676 PolarHBondContact O-N 2.82Å; Y673-M677 HydrophobicContact CE2-CE 4.27Å; Y673-M677 WeakPolarHBondContact O-CB 3.4Å; Y673-M677 PolarHBondContact O-N 3.46Å; Y673-M677 WeakPolarHBondContact OH-CE 3.49Å; Y673-F701 AromaticContact CD2-CE1 4Å; Y673-F701 HydrophobicContact CD2-CE1 4Å; Y673-F701 HydrophobicContact CE2-CD1 4.36Å; Y673-F701 AromaticContact CE2-CE1 3.79Å; Y673-F701 HydrophobicContact CE2-CE1 3.79Å; Y673-W705 HydrophobicContact CD2-CB 4.34Å; Y673-W705 AromaticContact CD2-CD1 3.61Å; Y673-W705 AromaticContact CD2-CD2 3.67Å; Y673-W705 HydrophobicContact CD2-CD2 3.67Å; Y673-W705 AromaticContact CD2-CE2 3.78Å; Y673-W705 HydrophobicContact CD2-CE3 4.33Å; Y673-W705 AromaticContact CD2-CG 3.61Å; Y673-W705 HydrophobicContact CD2-CG 3.61Å; Y673-W705 AromaticContact CD2-NE1 3.71Å; Y673-W705 HydrophobicContact CE2-CB 4.39Å; Y673-W705 HydrophobicContact CE2-CG 4.09Å; Y673-W705 HydrophobicContact CG-CD2 4.47Å
674H93.9Very high91.7Very high102 Ų10285.7 Ų85.747%0.47241%0.414SS..Hα-helixtrans-62.3-41.6-179.7-70.5-60.4000112.4T670 A671 Q676 M677 L678T670-H674 PolarHBondContact O-CD2 3.38Å; T670-H674 PolarHBondContact O-N 3.2Å; A671-H674 PolarHBondContact O-N 3.08Å; H674-Q676 VanDerWaalsContact C-N 3.35Å; H674-Q676 PolarHBondContact O-N 3.34Å; H674-M677 PolarHBondContact O-N 3.04Å; H674-L678 WeakPolarHBondContact O-CB 3.43Å; H674-L678 VanDerWaalsContact O-CG 3.27Å; H674-L678 WeakPolarHBondContact O-CG 3.46Å; H674-L678 PolarHBondContact O-N 2.92Å
675T94Very high92Very high65 Ų6588.5 Ų88.540%0.39942%0.419SS..Hα-helixtrans-60.8-40.2176.5-63.40000112.6A671 R672 Y673 R679A671-T675 WeakPolarHBondContact O-CB 3.34Å; A671-T675 PolarHBondContact O-N 2.98Å; A671-T675 PolarHBondContact O-OG1 2.92Å; R672-T675 PolarHBondContact O-N 3.48Å; Y673-T675 PolarHBondContact O-N 3.27Å; T675-R679 WeakPolarHBondContact O-CG 3.5Å; T675-R679 PolarHBondContact O-N 3.01Å
676Q93.3Very high92.5Very high57 Ų5788.7 Ų88.727%0.26643%0.425SS..Hα-helixtrans-75.6-38.9177.1-61.7-59-20.800112R672 Y673 H674 L678 R679 V680 F701 W705R672-Q676 HydrophobicContact CG-CG 4.49Å; R672-Q676 WeakPolarHBondContact O-CG 3.5Å; R672-Q676 PolarHBondContact O-N 3.16Å; Y673-Q676 PolarHBondContact O-N 2.82Å; H674-Q676 VanDerWaalsContact C-N 3.35Å; H674-Q676 PolarHBondContact O-N 3.34Å; Q676-L678 VanDerWaalsContact C-N 3.3Å; Q676-L678 PolarHBondContact O-N 3.44Å; Q676-R679 WeakPolarHBondContact O-CB 3.47Å; Q676-R679 PolarHBondContact O-N 3.39Å; Q676-V680 WeakPolarHBondContact O-CG2 3.21Å; Q676-V680 PolarHBondContact O-N 3.13Å; Q676-F701 HydrophobicContact CB-CE2 4.12Å; Q676-F701 HydrophobicContact CB-CZ 3.6Å; Q676-W705 HydrophobicContact CG-CZ3 4.49Å
677M93.1Very high93.1Very high5 Ų588.6 Ų88.63%0.02542%0.421CS..Hα-helixtrans-61.4-37173.4177.258.379.100112Y673 H674 V680 R681 F701 Q702Y673-M677 HydrophobicContact CE2-CE 4.27Å; Y673-M677 WeakPolarHBondContact O-CB 3.4Å; Y673-M677 PolarHBondContact O-N 3.46Å; Y673-M677 WeakPolarHBondContact OH-CE 3.49Å; H674-M677 PolarHBondContact O-N 3.04Å; M677-V680 PolarHBondContact O-N 3.28Å; M677-R681 WeakPolarHBondContact O-CB 3.45Å; M677-R681 WeakPolarHBondContact O-CG 3.43Å; M677-R681 PolarHBondContact O-N 3.13Å; M677-R681 HydrophobicContact SD-CG 4.23Å; M677-F701 HydrophobicContact CB-CE1 4.19Å; M677-F701 HydrophobicContact CE-CD1 3.65Å; M677-F701 HydrophobicContact CE-CE1 4.13Å; M677-F701 HydrophobicContact SD-CD1 4.46Å; M677-Q702 HydrophobicContact CE-CG 3.79Å
678L95.7Very high93.4Very high96 Ų9691 Ų9150%0.50344%0.437SS..Hα-helixtrans-62.2-48.2172.7-76.5168.4000111.3H674 Q676 V680 R681 E682H674-L678 WeakPolarHBondContact O-CB 3.43Å; H674-L678 VanDerWaalsContact O-CG 3.27Å; H674-L678 WeakPolarHBondContact O-CG 3.46Å; H674-L678 PolarHBondContact O-N 2.92Å; Q676-L678 VanDerWaalsContact C-N 3.3Å; Q676-L678 PolarHBondContact O-N 3.44Å; L678-V680 VanDerWaalsContact C-N 3.32Å; L678-V680 PolarHBondContact O-N 2.89Å; L678-R681 CarbonylContact O-C 3.47Å; L678-R681 PolarHBondContact O-N 3.3Å; L678-R681 VanDerWaalsContact O-N 3.09Å; L678-E682 WeakPolarHBondContact O-CB 3.25Å; L678-E682 WeakPolarHBondContact O-CG 3.49Å; L678-E682 PolarHBondContact O-N 2.04Å
679R96.2Very high93.8Very high144 Ų14488.8 Ų88.854%0.54342%0.419SS..Hα-helixtrans-57.7-41.3175.1-68.2166.9-179-164.1-2.7112.6T675 Q676 E682 F683T675-R679 WeakPolarHBondContact O-CG 3.5Å; T675-R679 PolarHBondContact O-N 3.01Å; Q676-R679 WeakPolarHBondContact O-CB 3.47Å; Q676-R679 PolarHBondContact O-N 3.39Å; R679-E682 PolarHBondContact O-N 2.94Å; R679-F683 VanDerWaalsContact O-CB 3.32Å; R679-F683 WeakPolarHBondContact O-CB 3.41Å; R679-F683 PolarHBondContact O-N 3.29Å
680V95.2Very high94.3Very high34 Ų3490.9 Ų90.921%0.20643%0.425CS..Hα-helixtrans-62.7-43.9175170.80000110.9Q676 M677 L678 F683 I684 F701Q676-V680 WeakPolarHBondContact O-CG2 3.21Å; Q676-V680 PolarHBondContact O-N 3.13Å; M677-V680 PolarHBondContact O-N 3.28Å; L678-V680 VanDerWaalsContact C-N 3.32Å; L678-V680 PolarHBondContact O-N 2.89Å; V680-F683 PolarHBondContact O-N 2.71Å; V680-I684 HydrophobicContact CG1-CD1 3.73Å; V680-I684 WeakPolarHBondContact O-CB 3.48Å; V680-I684 WeakPolarHBondContact O-CD1 3.27Å; V680-I684 VanDerWaalsContact O-CG1 3.24Å; V680-I684 WeakPolarHBondContact O-CG1 3.49Å; V680-I684 PolarHBondContact O-N 3.45Å; V680-F701 HydrophobicContact CG2-CD2 4Å; V680-F701 HydrophobicContact CG2-CE2 4.29Å; V680-F701 HydrophobicContact CG2-CG 4.3Å
681R94.9Very high94.5Very high112 Ų11293 Ų9342%0.42343%0.434SS..Hα-helixtrans-69.3-34.8177.8-73.6172.7170.6176.6-0.5113.5M677 L678 R685 E698M677-R681 WeakPolarHBondContact O-CB 3.45Å; M677-R681 WeakPolarHBondContact O-CG 3.43Å; M677-R681 PolarHBondContact O-N 3.13Å; M677-R681 HydrophobicContact SD-CG 4.23Å; L678-R681 CarbonylContact O-C 3.47Å; L678-R681 PolarHBondContact O-N 3.3Å; L678-R681 VanDerWaalsContact O-N 3.09Å; R681-R685 VanDerWaalsContact O-CB 3.31Å; R681-R685 WeakPolarHBondContact O-CB 3.29Å; R681-R685 PolarHBondContact O-N 3.36Å; R681-E698 IonicContact CZ-OE2 3.17Å; R681-E698 IonicContact NE-OE2 2.83Å; R681-E698 PolarHBondContact NE-OE2 3.39Å; R681-E698 VanDerWaalsContact NE-OE2 3.09Å; R681-E698 IonicContact NH2-OE2 2.81Å; R681-E698 PolarHBondContact NH2-OE2 3.14Å
682E95.5Very high94.5Very high107 Ų10794.9 Ų94.950%0.544%0.442SS..Hα-helixtrans-65.5-45.6172.2-74.8164.1-17400111L678 R679 R685 F686L678-E682 WeakPolarHBondContact O-CB 3.25Å; L678-E682 WeakPolarHBondContact O-CG 3.49Å; L678-E682 PolarHBondContact O-N 2.04Å; R679-E682 PolarHBondContact O-N 2.94Å; E682-R685 PolarHBondContact O-N 3.37Å; E682-F686 VanDerWaalsContact O-CB 3.25Å; E682-F686 WeakPolarHBondContact O-CB 3.12Å; E682-F686 PolarHBondContact O-N 3Å
683F96.3Very high94.5Very high111 Ų11192.8 Ų92.849%0.48744%0.44SS..Hα-helixtrans-59.7-46.5174.3179.5-96.4000112.2R679 V680 R685 F686 H687 I689R679-F683 VanDerWaalsContact O-CB 3.32Å; R679-F683 WeakPolarHBondContact O-CB 3.41Å; R679-F683 PolarHBondContact O-N 3.29Å; V680-F683 PolarHBondContact O-N 2.71Å; F683-R685 VanDerWaalsContact C-N 3.34Å; F683-R685 PolarHBondContact O-N 2.92Å; F683-F686 PolarHBondContact O-N 3.11Å; F683-H687 AromaticContact CD2-CD2 3.52Å; F683-H687 AromaticContact CD2-NE2 3.82Å; F683-H687 AromaticContact CE2-CD2 3.28Å; F683-H687 WeakPolarHBondContact CE2-CD2 3.16Å; F683-H687 AromaticContact CE2-NE2 3.36Å; F683-H687 WeakPolarHBondContact CE2-NE2 3.49Å; F683-H687 AromaticContact CZ-CD2 3.64Å; F683-H687 PolarHBondContact O-N 3.08Å; F683-I689 HydrophobicContact CD1-CD1 3.9Å; F683-I689 HydrophobicContact CE1-CD1 3.7Å
684I95.7Very high94.5Very high13 Ų1395.2 Ų95.27%0.06745%0.449CS..Hα-helixtrans-57.6-44.6174.2-74.9160.8000111.5V680 Q688 I689 R694 L697 E698V680-I684 HydrophobicContact CG1-CD1 3.73Å; V680-I684 WeakPolarHBondContact O-CB 3.48Å; V680-I684 WeakPolarHBondContact O-CD1 3.27Å; V680-I684 VanDerWaalsContact O-CG1 3.24Å; V680-I684 WeakPolarHBondContact O-CG1 3.49Å; V680-I684 PolarHBondContact O-N 3.45Å; I684-Q688 PolarHBondContact O-N 2.97Å; I684-Q688 VanDerWaalsContact O-N 3.15Å; I684-I689 HydrophobicContact CG1-CD1 4.11Å; I684-I689 HydrophobicContact CG2-CB 4.37Å; I684-I689 PolarHBondContact O-N 3.13Å; I684-R694 HydrophobicContact CD1-CG 4.26Å; I684-R694 HydrophobicContact CG2-CB 4.29Å; I684-R694 HydrophobicContact CG2-CG 3.86Å; I684-L697 HydrophobicContact CD1-CB 4.44Å; I684-L697 HydrophobicContact CG1-CD1 4.4Å; I684-E698 HydrophobicContact CD1-CG 4.02Å
685R94.9Very high94.4Very high196 Ų19695.8 Ų95.874%0.7445%0.452SS*.Hα-helixtrans-68-42.8178.7-173.9-173.1-65.6161.7-1.3112R681 E682 F683 Q688R681-R685 VanDerWaalsContact O-CB 3.31Å; R681-R685 WeakPolarHBondContact O-CB 3.29Å; R681-R685 PolarHBondContact O-N 3.36Å; E682-R685 PolarHBondContact O-N 3.37Å; F683-R685 VanDerWaalsContact C-N 3.34Å; F683-R685 PolarHBondContact O-N 2.92Å; R685-Q688 PolarHBondContact O-N 3.26Å
686F95.7Very high94.2Very high166 Ų16698.9 Ų98.973%0.72846%0.456SS*.Hα-helixtrans-66.8-43.1-177.9-179.5-99.6000112.3E682 F683 Q688E682-F686 VanDerWaalsContact O-CB 3.25Å; E682-F686 WeakPolarHBondContact O-CB 3.12Å; E682-F686 PolarHBondContact O-N 3Å; F683-F686 PolarHBondContact O-N 3.11Å; F686-Q688 VanDerWaalsContact C-N 3.35Å
687H96.1Very high94.1Very high106 Ų10699 Ų9949%0.49146%0.458SS..THydrogen-bonded Turntrans-87.52.1177.7-71.8-68.2000114.5F683 I689F683-H687 AromaticContact CD2-CD2 3.52Å; F683-H687 AromaticContact CD2-NE2 3.82Å; F683-H687 AromaticContact CE2-CD2 3.28Å; F683-H687 WeakPolarHBondContact CE2-CD2 3.16Å; F683-H687 AromaticContact CE2-NE2 3.36Å; F683-H687 WeakPolarHBondContact CE2-NE2 3.49Å; F683-H687 AromaticContact CZ-CD2 3.64Å; F683-H687 PolarHBondContact O-N 3.08Å; H687-I689 VanDerWaalsContact C-N 3.27Å; H687-I689 HydrophobicContact CB-CD1 4.31Å; H687-I689 HydrophobicContact CB-CG1 3.82Å; H687-I689 PolarHBondContact O-N 3.4Å
688Q95.1Very high94Very high177 Ų17799.7 Ų99.783%0.82746%0.461SS*.THydrogen-bonded Turntrans50.744.2-177.6-58.7-173.2-42.700113I684 R685 F686I684-Q688 PolarHBondContact O-N 2.97Å; I684-Q688 VanDerWaalsContact O-N 3.15Å; R685-Q688 PolarHBondContact O-N 3.26Å; F686-Q688 VanDerWaalsContact C-N 3.35Å
689I95.1Very high93.7Very high24 Ų2499.9 Ų99.912%0.12346%0.459CS..  trans-63.2128.7-172.1-60.9-173.3000110.6F683 I684 H687 L693 R694 L697F683-I689 HydrophobicContact CD1-CD1 3.9Å; F683-I689 HydrophobicContact CE1-CD1 3.7Å; I684-I689 HydrophobicContact CG1-CD1 4.11Å; I684-I689 HydrophobicContact CG2-CB 4.37Å; I684-I689 PolarHBondContact O-N 3.13Å; H687-I689 VanDerWaalsContact C-N 3.27Å; H687-I689 HydrophobicContact CB-CD1 4.31Å; H687-I689 HydrophobicContact CB-CG1 3.82Å; H687-I689 PolarHBondContact O-N 3.4Å; I689-L693 HydrophobicContact CG2-CB 3.89Å; I689-L693 HydrophobicContact CG2-CD2 3.97Å; I689-L693 HydrophobicContact CG2-CG 3.8Å; I689-R694 HydrophobicContact CG2-CB 4.31Å; I689-L697 HydrophobicContact CD1-CD1 3.86Å; I689-L697 HydrophobicContact CG2-CD1 4.23Å
690P95.7Very high93.3Very high84 Ų8498.9 Ų98.955%0.54546%0.457SS..  trans-67.8146.2-175.627.9-36.1000112.3P692 L693 R694P690-P692 VanDerWaalsContact C-CD 3.48Å; P690-P692 VanDerWaalsContact O-N 3.12Å; P690-L693 HydrophobicContact CG-CB 4.44Å; P690-L693 PolarHBondContact O-N 2.83Å; P690-R694 PolarHBondContact O-N 2.9Å
691N93.3Very high93.1Very high120 Ų12099.2 Ų99.264%0.64246%0.456SS*.Hα-helixtrans-39.6-49.9-175.4-70.9-11.7000116.4L693 R694 Q695N691-L693 PolarHBondContact O-N 2.73Å; N691-R694 PolarHBondContact O-N 2.81Å; N691-Q695 WeakPolarHBondContact O-CB 3.26Å; N691-Q695 PolarHBondContact O-N 2.68Å
692P91.3Very high93Very high92 Ų9298.1 Ų98.160%0.59746%0.455SS*.Hα-helixtrans-64.9-36-179.324.2-35000113.8P690 R696P690-P692 VanDerWaalsContact C-CD 3.48Å; P690-P692 VanDerWaalsContact O-N 3.12Å; P692-R696 WeakPolarHBondContact O-CG 3.34Å; P692-R696 PolarHBondContact O-N 3.21Å
693L91.5Very high92.5Very high87 Ų8795.5 Ų95.546%0.45544%0.443SS..Hα-helixtrans-77.9-36.5175.4-179.256.7000111.1I689 P690 N691 Q695 R696 L697I689-L693 HydrophobicContact CG2-CB 3.89Å; I689-L693 HydrophobicContact CG2-CD2 3.97Å; I689-L693 HydrophobicContact CG2-CG 3.8Å; P690-L693 HydrophobicContact CG-CB 4.44Å; P690-L693 PolarHBondContact O-N 2.83Å; N691-L693 PolarHBondContact O-N 2.73Å; L693-Q695 PolarHBondContact O-N 3.25Å; L693-R696 PolarHBondContact O-N 3.47Å; L693-L697 HydrophobicContact CD1-CG 4.4Å; L693-L697 HydrophobicContact CG-CD1 4.23Å; L693-L697 WeakPolarHBondContact O-CG 3.5Å; L693-L697 PolarHBondContact O-N 3.09Å
694R91.8Very high92.1Very high101 Ų10191.5 Ų91.538%0.38143%0.43SS..Hα-helixtrans-57.1-46.9172.3167.4176.7179.3-142.2-15.2111.7I684 I689 P690 N691 L697 E698I684-R694 HydrophobicContact CD1-CG 4.26Å; I684-R694 HydrophobicContact CG2-CB 4.29Å; I684-R694 HydrophobicContact CG2-CG 3.86Å; I689-R694 HydrophobicContact CG2-CB 4.31Å; P690-R694 PolarHBondContact O-N 2.9Å; N691-R694 PolarHBondContact O-N 2.81Å; R694-L697 PolarHBondContact O-N 3.38Å; R694-E698 IonicContact CZ-OE1 3.33Å; R694-E698 IonicContact NE-OE1 2.68Å; R694-E698 PolarHBondContact NE-OE1 3.42Å; R694-E698 IonicContact NH2-OE1 3.58Å; R694-E698 PolarHBondContact NH2-OE1 3.26Å; R694-E698 PolarHBondContact O-N 3.15Å
695Q91.7Very high91.8Very high115 Ų11593.1 Ų93.154%0.53744%0.436SS..Hα-helixtrans-59.8-51.9179.6178.4171.3-4.500110.6N691 L693 L697 E698 E699N691-Q695 WeakPolarHBondContact O-CB 3.26Å; N691-Q695 PolarHBondContact O-N 2.68Å; L693-Q695 PolarHBondContact O-N 3.25Å; Q695-L697 VanDerWaalsContact C-N 3.29Å; Q695-L697 PolarHBondContact O-N 3.13Å; Q695-E698 PolarHBondContact O-N 2.84Å; Q695-E698 VanDerWaalsContact O-N 3.16Å; Q695-E699 VanDerWaalsContact CG-CD 3.46Å; Q695-E699 HydrophobicContact CG-CG 4.26Å; Q695-E699 WeakPolarHBondContact CG-OE1 3.43Å; Q695-E699 PolarHBondContact NE2-OE1 2.64Å; Q695-E699 WeakPolarHBondContact O-CB 3.33Å; Q695-E699 WeakPolarHBondContact O-CG 3.17Å; Q695-E699 PolarHBondContact O-N 2.95Å
696R89.7Confident91.5Very high130 Ų13087.4 Ų87.449%0.49143%0.426SS..Hα-helixtrans-56.2-39.8175.8-68.3-177.8-172.6-163.20.2113P692 L693 Y700P692-R696 WeakPolarHBondContact O-CG 3.34Å; P692-R696 PolarHBondContact O-N 3.21Å; L693-R696 PolarHBondContact O-N 3.47Å; R696-Y700 WeakPolarHBondContact O-CB 3.47Å; R696-Y700 PolarHBondContact O-N 3.1Å
697L91.1Very high91Very high60 Ų6085.2 Ų85.231%0.31441%0.413SS..Hα-helixtrans-67.3-43.3176.8-72.7170.7000112.8I684 I689 L693 R694 Q695 F701I684-L697 HydrophobicContact CD1-CB 4.44Å; I684-L697 HydrophobicContact CG1-CD1 4.4Å; I689-L697 HydrophobicContact CD1-CD1 3.86Å; I689-L697 HydrophobicContact CG2-CD1 4.23Å; L693-L697 HydrophobicContact CD1-CG 4.4Å; L693-L697 HydrophobicContact CG-CD1 4.23Å; L693-L697 WeakPolarHBondContact O-CG 3.5Å; L693-L697 PolarHBondContact O-N 3.09Å; R694-L697 PolarHBondContact O-N 3.38Å; Q695-L697 VanDerWaalsContact C-N 3.29Å; Q695-L697 PolarHBondContact O-N 3.13Å; L697-F701 VanDerWaalsContact O-CB 3.27Å; L697-F701 WeakPolarHBondContact O-CB 3.43Å; L697-F701 PolarHBondContact O-N 3.43Å; L697-F701 VanDerWaalsContact O-N 3.09Å
698E91.8Very high90.6Very high19 Ų1981.9 Ų81.99%0.08940%0.401CS..Hα-helixtrans-68.5-37.2176.6-72.4-167.1-119.600111.6R681 I684 R694 Q695 Q702R681-E698 IonicContact CZ-OE2 3.17Å; R681-E698 IonicContact NE-OE2 2.83Å; R681-E698 PolarHBondContact NE-OE2 3.39Å; R681-E698 VanDerWaalsContact NE-OE2 3.09Å; R681-E698 IonicContact NH2-OE2 2.81Å; R681-E698 PolarHBondContact NH2-OE2 3.14Å; I684-E698 HydrophobicContact CD1-CG 4.02Å; R694-E698 IonicContact CZ-OE1 3.33Å; R694-E698 IonicContact NE-OE1 2.68Å; R694-E698 PolarHBondContact NE-OE1 3.42Å; R694-E698 IonicContact NH2-OE1 3.58Å; R694-E698 PolarHBondContact NH2-OE1 3.26Å; R694-E698 PolarHBondContact O-N 3.15Å; Q695-E698 PolarHBondContact O-N 2.84Å; Q695-E698 VanDerWaalsContact O-N 3.16Å; E698-Q702 WeakPolarHBondContact O-CB 3.43Å; E698-Q702 VanDerWaalsContact O-CG 3.24Å; E698-Q702 WeakPolarHBondContact O-CG 3.49Å; E698-Q702 PolarHBondContact O-N 3.32Å; E698-Q702 VanDerWaalsContact O-N 3.11Å; E698-Q702 PolarHBondContact O-NE2 3.12Å
699E89.6Confident90.1Very high99 Ų9979.4 Ų79.446%0.46339%0.393SS..Hα-helixtrans-71.2-48.8176.9-73.4170.4173.200112.5Q695 F701 Q702 H703Q695-E699 VanDerWaalsContact CG-CD 3.46Å; Q695-E699 HydrophobicContact CG-CG 4.26Å; Q695-E699 WeakPolarHBondContact CG-OE1 3.43Å; Q695-E699 PolarHBondContact NE2-OE1 2.64Å; Q695-E699 WeakPolarHBondContact O-CB 3.33Å; Q695-E699 WeakPolarHBondContact O-CG 3.17Å; Q695-E699 PolarHBondContact O-N 2.95Å; E699-F701 VanDerWaalsContact C-N 3.32Å; E699-F701 PolarHBondContact O-N 3.48Å; E699-Q702 PolarHBondContact O-N 3.49Å; E699-H703 WeakPolarHBondContact O-CB 3.49Å; E699-H703 PolarHBondContact O-N 3.15Å
700Y88.2Confident89.5Confident124 Ų12478.6 Ų78.649%0.48639%0.391SS..Hα-helixtrans-57.1-45.7175.3173-90.2000111R696 H703 A704R696-Y700 WeakPolarHBondContact O-CB 3.47Å; R696-Y700 PolarHBondContact O-N 3.1Å; Y700-H703 PolarHBondContact O-N 3.17Å; Y700-A704 HydrophobicContact CE1-CB 4.38Å; Y700-A704 WeakPolarHBondContact O-CB 3.35Å; Y700-A704 PolarHBondContact O-N 3.31Å
701F90.7Very high89.1Confident41 Ų4178.6 Ų78.618%0.1839%0.385CS..Hα-helixtrans-64.1-42.9178.8-178.3-91.2000111.9Y673 Q676 M677 V680 L697 E699 W705Y673-F701 AromaticContact CD2-CE1 4Å; Y673-F701 HydrophobicContact CD2-CE1 4Å; Y673-F701 HydrophobicContact CE2-CD1 4.36Å; Y673-F701 AromaticContact CE2-CE1 3.79Å; Y673-F701 HydrophobicContact CE2-CE1 3.79Å; Q676-F701 HydrophobicContact CB-CE2 4.12Å; Q676-F701 HydrophobicContact CB-CZ 3.6Å; M677-F701 HydrophobicContact CB-CE1 4.19Å; M677-F701 HydrophobicContact CE-CD1 3.65Å; M677-F701 HydrophobicContact CE-CE1 4.13Å; M677-F701 HydrophobicContact SD-CD1 4.46Å; V680-F701 HydrophobicContact CG2-CD2 4Å; V680-F701 HydrophobicContact CG2-CE2 4.29Å; V680-F701 HydrophobicContact CG2-CG 4.3Å; L697-F701 VanDerWaalsContact O-CB 3.27Å; L697-F701 WeakPolarHBondContact O-CB 3.43Å; L697-F701 PolarHBondContact O-N 3.43Å; L697-F701 VanDerWaalsContact O-N 3.09Å; E699-F701 VanDerWaalsContact C-N 3.32Å; E699-F701 PolarHBondContact O-N 3.48Å; F701-W705 AromaticContact CZ-CE3 3.93Å; F701-W705 HydrophobicContact CZ-CE3 3.93Å; F701-W705 WeakPolarHBondContact O-CB 3.41Å; F701-W705 PolarHBondContact O-N 2.93Å
702Q91.4Very high88.8Confident88 Ų8876.6 Ų76.641%0.41137%0.374SS..Hα-helixtrans-62-49.6175.6-78.7170.379.200111.7M677 E698 E699 W705 S706M677-Q702 HydrophobicContact CE-CG 3.79Å; E698-Q702 WeakPolarHBondContact O-CB 3.43Å; E698-Q702 VanDerWaalsContact O-CG 3.24Å; E698-Q702 WeakPolarHBondContact O-CG 3.49Å; E698-Q702 PolarHBondContact O-N 3.32Å; E698-Q702 VanDerWaalsContact O-N 3.11Å; E698-Q702 PolarHBondContact O-NE2 3.12Å; E699-Q702 PolarHBondContact O-N 3.49Å; Q702-W705 PolarHBondContact O-N 3.36Å; Q702-S706 PolarHBondContact O-N 2.88Å; Q702-S706 PolarHBondContact O-OG 3.39Å
703H86.5Confident88.5Confident52 Ų5276.7 Ų76.724%0.24137%0.368CS..Hα-helixtrans-62.1-48.8180177.1-106.5000112.1E699 Y700 W705 S706 Y707 Y827E699-H703 WeakPolarHBondContact O-CB 3.49Å; E699-H703 PolarHBondContact O-N 3.15Å; Y700-H703 PolarHBondContact O-N 3.17Å; H703-W705 VanDerWaalsContact C-N 3.29Å; H703-W705 PolarHBondContact O-N 3.26Å; H703-S706 WeakPolarHBondContact CA-OG 3.44Å; H703-S706 PolarHBondContact O-N 3.4Å; H703-S706 PolarHBondContact O-OG 3.43Å; H703-Y707 WeakPolarHBondContact O-CB 3.44Å; H703-Y707 PolarHBondContact O-N 3.06Å; H703-Y827 AromaticContact CD2-CE1 3.61Å; H703-Y827 AromaticContact CE1-CD1 3.67Å; H703-Y827 AromaticContact CE1-CE1 3.89Å; H703-Y827 AromaticContact NE2-CD1 3.4Å; H703-Y827 WeakPolarHBondContact NE2-CD1 3.35Å; H703-Y827 AromaticContact NE2-CE1 3.47Å; H703-Y827 WeakPolarHBondContact NE2-CE1 3.33Å
704A87.4Confident88.3Confident28 Ų2877.4 Ų77.423%0.23137%0.373CS..Hα-helixtrans-61.6-37.5176.600000111.7Y700 T708Y700-A704 HydrophobicContact CE1-CB 4.38Å; Y700-A704 WeakPolarHBondContact O-CB 3.35Å; Y700-A704 PolarHBondContact O-N 3.31Å; A704-T708 WeakPolarHBondContact O-CB 3.38Å; A704-T708 WeakPolarHBondContact O-CG2 3.24Å; A704-T708 PolarHBondContact O-N 2.94Å; A704-T708 PolarHBondContact O-OG1 3.46Å
705W89.9Confident88.2Confident47 Ų4775.3 Ų75.318%0.17838%0.376CS..Hα-helixtrans-67.3-45.9174.3-171.6-83000112.3R672 Y673 Q676 F701 Q702 H703 Y707 T708 N709 G710R672-W705 HydrophobicContact CB-CH2 4.1Å; R672-W705 HydrophobicContact CG-CH2 3.83Å; Y673-W705 HydrophobicContact CD2-CB 4.34Å; Y673-W705 AromaticContact CD2-CD1 3.61Å; Y673-W705 AromaticContact CD2-CD2 3.67Å; Y673-W705 HydrophobicContact CD2-CD2 3.67Å; Y673-W705 AromaticContact CD2-CE2 3.78Å; Y673-W705 HydrophobicContact CD2-CE3 4.33Å; Y673-W705 AromaticContact CD2-CG 3.61Å; Y673-W705 HydrophobicContact CD2-CG 3.61Å; Y673-W705 AromaticContact CD2-NE1 3.71Å; Y673-W705 HydrophobicContact CE2-CB 4.39Å; Y673-W705 HydrophobicContact CE2-CG 4.09Å; Y673-W705 HydrophobicContact CG-CD2 4.47Å; Q676-W705 HydrophobicContact CG-CZ3 4.49Å; F701-W705 AromaticContact CZ-CE3 3.93Å; F701-W705 HydrophobicContact CZ-CE3 3.93Å; F701-W705 WeakPolarHBondContact O-CB 3.41Å; F701-W705 PolarHBondContact O-N 2.93Å; Q702-W705 PolarHBondContact O-N 3.36Å; H703-W705 VanDerWaalsContact C-N 3.29Å; H703-W705 PolarHBondContact O-N 3.26Å; W705-Y707 VanDerWaalsContact C-N 3.3Å; W705-Y707 PolarHBondContact O-N 3.42Å; W705-T708 PolarHBondContact O-N 3.5Å; W705-N709 WeakPolarHBondContact O-CA 3.3Å; W705-N709 PolarHBondContact O-N 3.05Å; W705-G710 PolarHBondContact O-N 3.37Å
706S89Confident88.2Confident76 Ų7673.3 Ų73.353%0.53137%0.372SS..Hα-helixtrans-64-34.5177.754.50000112.9Q702 H703Q702-S706 PolarHBondContact O-N 2.88Å; Q702-S706 PolarHBondContact O-OG 3.39Å; H703-S706 WeakPolarHBondContact CA-OG 3.44Å; H703-S706 PolarHBondContact O-N 3.4Å; H703-S706 PolarHBondContact O-OG 3.43Å
707Y85.4Confident88.2Confident119 Ų11968.6 Ų68.647%0.46736%0.356SS..Hα-helixtrans-73.9-42.5178-179-101.6000112.5H703 W705 H762H703-Y707 WeakPolarHBondContact O-CB 3.44Å; H703-Y707 PolarHBondContact O-N 3.06Å; W705-Y707 VanDerWaalsContact C-N 3.3Å; W705-Y707 PolarHBondContact O-N 3.42Å; Y707-H762 AromaticContact CE1-CD2 3.57Å; Y707-H762 AromaticContact CE1-CE1 3.65Å; Y707-H762 AromaticContact CE1-NE2 3.29Å; Y707-H762 VanDerWaalsContact CE1-NE2 3.29Å; Y707-H762 WeakPolarHBondContact CE1-NE2 3.37Å; Y707-H762 AromaticContact CZ-CE1 3.42Å; Y707-H762 VanDerWaalsContact CZ-CE1 3.42Å; Y707-H762 AromaticContact CZ-ND1 3.94Å; Y707-H762 AromaticContact CZ-NE2 3.54Å; Y707-H762 PolarHBondContact OH-CE1 3.11Å; Y707-H762 PolarHBondContact OH-NE2 3.14Å
708T86.6Confident88.2Confident37 Ų3773.9 Ų73.923%0.22738%0.377CS..Hα-helixtrans-89-12.1-178.4600000114.5A704 W705 G710 I711 M713A704-T708 WeakPolarHBondContact O-CB 3.38Å; A704-T708 WeakPolarHBondContact O-CG2 3.24Å; A704-T708 PolarHBondContact O-N 2.94Å; A704-T708 PolarHBondContact O-OG1 3.46Å; W705-T708 PolarHBondContact O-N 3.5Å; T708-G710 PolarHBondContact O-N 3.4Å; T708-G710 PolarHBondContact OG1-N 2.93Å; T708-I711 VanDerWaalsContact O-CB 3.28Å; T708-I711 WeakPolarHBondContact O-CB 3.25Å; T708-I711 WeakPolarHBondContact O-CG1 3.24Å; T708-I711 PolarHBondContact O-N 3.27Å; T708-M713 HydrophobicContact CG2-CE 4.35Å
709N85.6Confident88.1Confident124 Ų12475.8 Ų75.866%0.66340%0.402SS*.THydrogen-bonded Turntrans51.527.8-164.2-66.4-81.2000113.7W705 I711W705-N709 WeakPolarHBondContact O-CA 3.3Å; W705-N709 PolarHBondContact O-N 3.05Å; N709-I711 VanDerWaalsContact C-N 3.3Å; N709-I711 PolarHBondContact O-N 2.91Å
710G82.3Confident88.3Confident7 Ų775.3 Ų75.37%0.07240%0.398CS..THydrogen-bonded Turntrans74.912.6-176.100000115.3R672 W705 T708R672-G710 PolarHBondContact NH1-O 2.84Å; R672-G710 PolarHBondContact NH2-O 3.28Å; W705-G710 PolarHBondContact O-N 3.37Å; T708-G710 PolarHBondContact O-N 3.4Å; T708-G710 PolarHBondContact OG1-N 2.93Å
711I87.6Confident88.6Confident85 Ų8573.4 Ų73.444%0.43640%0.401SS..  trans-86.6124.5178.6-55.9172.6000109.8T708 N709 M713 V716T708-I711 VanDerWaalsContact O-CB 3.28Å; T708-I711 WeakPolarHBondContact O-CB 3.25Å; T708-I711 WeakPolarHBondContact O-CG1 3.24Å; T708-I711 PolarHBondContact O-N 3.27Å; N709-I711 VanDerWaalsContact C-N 3.3Å; N709-I711 PolarHBondContact O-N 2.91Å; I711-M713 HydrophobicContact CG2-SD 4.44Å; I711-M713 PolarHBondContact O-N 2.88Å; I711-V716 HydrophobicContact CG2-CG2 3.66Å
712D85.1Confident88.6Confident77 Ų7778.9 Ų78.941%0.41243%0.427SS..  trans-80.6106.8167.1175.115000109.7N714 A715 V716D712-N714 PolarHBondContact O-N 3.23Å; D712-N714 WeakPolarHBondContact OD1-CB 3.25Å; D712-N714 PolarHBondContact OD1-N 3.29Å; D712-N714 PolarHBondContact OD1-ND2 3.29Å; D712-N714 VanDerWaalsContact OD1-ND2 3.09Å; D712-A715 HydrophobicContact CB-CB 4Å; D712-A715 PolarHBondContact O-N 3.24Å; D712-A715 WeakPolarHBondContact OD2-CB 3.41Å; D712-A715 PolarHBondContact OD2-N 3.48Å; D712-V716 WeakPolarHBondContact O-CG2 3.42Å; D712-V716 PolarHBondContact O-N 3.14Å; D712-V716 VanDerWaalsContact O-N 3.11Å
713M85.3Confident88.6Confident94 Ų9479.2 Ų79.246%0.46344%0.438SS..Hα-helixtrans-57.9-32.5179-56.1-60.2175.600112.4T708 I711 V716 L717T708-M713 HydrophobicContact CG2-CE 4.35Å; I711-M713 HydrophobicContact CG2-SD 4.44Å; I711-M713 PolarHBondContact O-N 2.88Å; M713-V716 PolarHBondContact O-N 3.36Å; M713-L717 WeakPolarHBondContact O-CG 3.45Å; M713-L717 PolarHBondContact O-N 3.48Å
714N87.4Confident88.9Confident103 Ų10380.9 Ų80.955%0.55145%0.449SS*.Hα-helixtrans-74.9-38.8-178.5-54.2-77.9000111.6D712 V716 L717 K718D712-N714 PolarHBondContact O-N 3.23Å; D712-N714 WeakPolarHBondContact OD1-CB 3.25Å; D712-N714 PolarHBondContact OD1-N 3.29Å; D712-N714 PolarHBondContact OD1-ND2 3.29Å; D712-N714 VanDerWaalsContact OD1-ND2 3.09Å; N714-V716 VanDerWaalsContact C-N 3.32Å; N714-L717 PolarHBondContact O-N 2.68Å; N714-K718 VanDerWaalsContact O-CG 3.3Å; N714-K718 WeakPolarHBondContact O-CG 3.3Å; N714-K718 PolarHBondContact O-N 2.91Å; N714-K718 VanDerWaalsContact O-N 3.13Å
715A90Very high89.1Confident56 Ų5681.3 Ų81.346%0.46345%0.446SS..Hα-helixtrans-63.6-38.5171.700000111.8D712D712-A715 HydrophobicContact CB-CB 4Å; D712-A715 PolarHBondContact O-N 3.24Å; D712-A715 WeakPolarHBondContact OD2-CB 3.41Å; D712-A715 PolarHBondContact OD2-N 3.48Å
716V91.1Very high89.3Confident73 Ų7379.6 Ų79.644%0.44244%0.442SS..Hα-helixtrans-65.2-46.7175.4172.50000111.5I711 D712 M713 N714 K718 G719 F720I711-V716 HydrophobicContact CG2-CG2 3.66Å; D712-V716 WeakPolarHBondContact O-CG2 3.42Å; D712-V716 PolarHBondContact O-N 3.14Å; D712-V716 VanDerWaalsContact O-N 3.11Å; M713-V716 PolarHBondContact O-N 3.36Å; N714-V716 VanDerWaalsContact C-N 3.32Å; V716-K718 VanDerWaalsContact C-N 3.35Å; V716-K718 PolarHBondContact O-N 3.03Å; V716-G719 PolarHBondContact O-N 3.14Å; V716-G719 VanDerWaalsContact O-N 3.11Å; V716-F720 HydrophobicContact CG1-CE2 3.99Å; V716-F720 VanDerWaalsContact O-CD2 3.28Å; V716-F720 WeakPolarHBondContact O-CD2 3.46Å; V716-F720 WeakPolarHBondContact O-CE2 3.47Å
717L90.7Very high89.5Confident31 Ų3179 Ų7916%0.16243%0.432CS..Hα-helixtrans-59.2-43.2178.2-75.8168.2000112.2M713 N714 G719 F720 Q725 I728M713-L717 WeakPolarHBondContact O-CG 3.45Å; M713-L717 PolarHBondContact O-N 3.48Å; N714-L717 PolarHBondContact O-N 2.68Å; L717-G719 PolarHBondContact O-N 2.76Å; L717-G719 VanDerWaalsContact O-N 3.08Å; L717-F720 PolarHBondContact O-N 3.18Å; L717-Q725 VanDerWaalsContact O-CG 3.28Å; L717-Q725 WeakPolarHBondContact O-CG 3.44Å; L717-Q725 PolarHBondContact O-NE2 2.64Å; L717-I728 HydrophobicContact CD2-CB 4.14Å; L717-I728 HydrophobicContact CD2-CD1 4.4Å; L717-I728 HydrophobicContact CD2-CG2 3.73Å
718K90.9Very high89.9Confident171 Ų17176 Ų7674%0.74342%0.424SS*.Hα-helixtrans-59.2-18.9176.7-74.2171.6-180179.80114.5N714 V716 F720N714-K718 VanDerWaalsContact O-CG 3.3Å; N714-K718 WeakPolarHBondContact O-CG 3.3Å; N714-K718 PolarHBondContact O-N 2.91Å; N714-K718 VanDerWaalsContact O-N 3.13Å; V716-K718 VanDerWaalsContact C-N 3.35Å; V716-K718 PolarHBondContact O-N 3.03Å; K718-F720 VanDerWaalsContact C-N 3.29Å
719G90.5Very high90.2Very high60 Ų6074.8 Ų74.862%0.61942%0.417SS*.THydrogen-bonded Turntrans-77.1-8.4175.100000114.9V716 L717V716-G719 PolarHBondContact O-N 3.14Å; V716-G719 VanDerWaalsContact O-N 3.11Å; L717-G719 PolarHBondContact O-N 2.76Å; L717-G719 VanDerWaalsContact O-N 3.08Å
720F92.3Very high90.6Very high88 Ų8871.3 Ų71.339%0.38640%0.398SS..SBendtrans-110.6152.6-179.4-63.3-75.5000111.9V716 L717 K718 L724 Q725 I728V716-F720 HydrophobicContact CG1-CE2 3.99Å; V716-F720 VanDerWaalsContact O-CD2 3.28Å; V716-F720 WeakPolarHBondContact O-CD2 3.46Å; V716-F720 WeakPolarHBondContact O-CE2 3.47Å; L717-F720 PolarHBondContact O-N 3.18Å; K718-F720 VanDerWaalsContact C-N 3.29Å; F720-L724 HydrophobicContact CB-CB 4.16Å; F720-L724 HydrophobicContact CD1-CD1 4.34Å; F720-Q725 HydrophobicContact CB-CG 4.15Å; F720-Q725 PolarHBondContact O-NE2 3.42Å; F720-I728 HydrophobicContact CD2-CD1 3.92Å; F720-I728 HydrophobicContact CE2-CD1 4.17Å; F720-I728 HydrophobicContact CG-CD1 4.24Å
721P94.2Very high91Very high85 Ų8576.3 Ų76.355%0.55242%0.419SS*.  trans-66.1152.5169.829.4-36.1000111.4C723 L724 Q725P721-C723 VanDerWaalsContact C-N 3.25Å; P721-C723 PolarHBondContact O-N 3.02Å; P721-C723 VanDerWaalsContact O-N 3.1Å; P721-L724 HydrophobicContact CG-CB 4.29Å; P721-L724 HydrophobicContact CG-CD1 4.02Å; P721-L724 HydrophobicContact CG-CG 4.14Å; P721-L724 WeakPolarHBondContact O-CA 3.38Å; P721-L724 PolarHBondContact O-N 3.16Å; P721-Q725 PolarHBondContact O-N 3.32Å
722E91.3Very high91.2Very high155 Ų15576.5 Ų76.572%0.72442%0.421SS*.Hα-helixtrans-50.8-39.5-174.2-62.1-178.3165.800113.9L724 Q725 A726E722-L724 VanDerWaalsContact C-N 3.27Å; E722-L724 PolarHBondContact O-N 2.91Å; E722-Q725 PolarHBondContact O-N 3.16Å; E722-A726 WeakPolarHBondContact O-CB 3.08Å; E722-A726 PolarHBondContact O-N 3.35Å
723C91.2Very high91.5Very high95 Ų9573 Ų7364%0.64240%0.402SS*.Hα-helixtrans-57.5-38.1176.1-61.80000113.2P721 D727P721-C723 VanDerWaalsContact C-N 3.25Å; P721-C723 PolarHBondContact O-N 3.02Å; P721-C723 VanDerWaalsContact O-N 3.1Å; C723-D727 PolarHBondContact O-N 3.29Å
724L92.5Very high91.7Very high88 Ų8875 Ų7546%0.46140%0.404SS..Hα-helixtrans-82.8-34.5176.3-69.9-178.5000111.8F720 P721 E722 A726 D727 I728F720-L724 HydrophobicContact CB-CB 4.16Å; F720-L724 HydrophobicContact CD1-CD1 4.34Å; P721-L724 HydrophobicContact CG-CB 4.29Å; P721-L724 HydrophobicContact CG-CD1 4.02Å; P721-L724 HydrophobicContact CG-CG 4.14Å; P721-L724 WeakPolarHBondContact O-CA 3.38Å; P721-L724 PolarHBondContact O-N 3.16Å; E722-L724 VanDerWaalsContact C-N 3.27Å; E722-L724 PolarHBondContact O-N 2.91Å; L724-A726 VanDerWaalsContact C-N 3.3Å; L724-A726 PolarHBondContact O-N 2.82Å; L724-D727 PolarHBondContact O-N 2.93Å; L724-I728 WeakPolarHBondContact O-CB 3.19Å; L724-I728 WeakPolarHBondContact O-CD1 3.19Å; L724-I728 WeakPolarHBondContact O-CG1 3.05Å; L724-I728 PolarHBondContact O-N 2.66Å
725Q93.3Very high91.7Very high37 Ų3771.7 Ų71.717%0.17339%0.389CS..Hα-helixtrans-56.5-47.3170.9-62.7-175.629.100110.4L717 F720 P721 E722 D727 I728 C729 M756L717-Q725 VanDerWaalsContact O-CG 3.28Å; L717-Q725 WeakPolarHBondContact O-CG 3.44Å; L717-Q725 PolarHBondContact O-NE2 2.64Å; F720-Q725 HydrophobicContact CB-CG 4.15Å; F720-Q725 PolarHBondContact O-NE2 3.42Å; P721-Q725 PolarHBondContact O-N 3.32Å; E722-Q725 PolarHBondContact O-N 3.16Å; Q725-D727 PolarHBondContact O-N 2.7Å; Q725-I728 PolarHBondContact O-N 3.06Å; Q725-C729 WeakPolarHBondContact O-CB 3.38Å; Q725-C729 PolarHBondContact O-N 3.17Å; Q725-C729 PolarHBondContact O-SG 3.05Å; Q725-M756 VanDerWaalsContact C-SD 3.53Å; Q725-M756 HydrophobicContact CB-CE 3.75Å; Q725-M756 HydrophobicContact CB-SD 3.69Å
726A92.8Very high91.6Very high10 Ų1069.2 Ų69.28%0.08337%0.368CS..Hα-helixtrans-62.7-39.9-179.800000113.1E722 L724 L730 R752 M756E722-A726 WeakPolarHBondContact O-CB 3.08Å; E722-A726 PolarHBondContact O-N 3.35Å; L724-A726 VanDerWaalsContact C-N 3.3Å; L724-A726 PolarHBondContact O-N 2.82Å; A726-L730 WeakPolarHBondContact O-CB 3.47Å; A726-L730 PolarHBondContact O-N 3.32Å; A726-R752 HydrophobicContact CB-CB 4.07Å; A726-R752 HydrophobicContact CB-CG 4.04Å; A726-M756 VanDerWaalsContact CA-SD 3.56Å; A726-M756 HydrophobicContact CB-CG 3.89Å; A726-M756 HydrophobicContact CB-SD 4.13Å; A726-M756 PolarHBondContact N-SD 2.99Å; A726-M756 VanDerWaalsContact N-SD 3.43Å
727D93.5Very high91.5Very high63 Ų6366.4 Ų66.434%0.33735%0.35SS..Hα-helixtrans-74.5-31.6176.8-77.1-15.1000112.9C723 L724 Q725 H731 R752C723-D727 PolarHBondContact O-N 3.29Å; L724-D727 PolarHBondContact O-N 2.93Å; Q725-D727 PolarHBondContact O-N 2.7Å; D727-H731 PolarHBondContact O-N 3.3Å; D727-H731 VanDerWaalsContact O-N 3.09Å; D727-R752 IonicContact OD1-CZ 3.77Å; D727-R752 IonicContact OD1-NE 3.66Å; D727-R752 PolarHBondContact OD1-NE 3.31Å; D727-R752 IonicContact OD1-NH2 3.28Å; D727-R752 PolarHBondContact OD1-NH2 3.07Å; D727-R752 IonicContact OD2-CZ 2.78Å; D727-R752 IonicContact OD2-NH2 3.25Å; D727-R752 PolarHBondContact OD2-NH2 2.78Å
728I93.8Very high91.4Very high58 Ų5870.7 Ų70.730%0.29737%0.369SS..Hα-helixtrans-65.4-49.5170-68.1162.5000110L717 F720 L724 Q725 L730 H731 L732L717-I728 HydrophobicContact CD2-CB 4.14Å; L717-I728 HydrophobicContact CD2-CD1 4.4Å; L717-I728 HydrophobicContact CD2-CG2 3.73Å; F720-I728 HydrophobicContact CD2-CD1 3.92Å; F720-I728 HydrophobicContact CE2-CD1 4.17Å; F720-I728 HydrophobicContact CG-CD1 4.24Å; L724-I728 WeakPolarHBondContact O-CB 3.19Å; L724-I728 WeakPolarHBondContact O-CD1 3.19Å; L724-I728 WeakPolarHBondContact O-CG1 3.05Å; L724-I728 PolarHBondContact O-N 2.66Å; Q725-I728 PolarHBondContact O-N 3.06Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.03Å; I728-H731 WeakPolarHBondContact O-CA 3.25Å; I728-H731 WeakPolarHBondContact O-CB 3.43Å; I728-H731 PolarHBondContact O-N 3.13Å; I728-L732 HydrophobicContact CG2-CD1 4.09Å; I728-L732 HydrophobicContact CG2-CG 4.37Å; I728-L732 WeakPolarHBondContact O-CG 3.49Å; I728-L732 PolarHBondContact O-N 3.48Å
729C93.2Very high91.1Very high10 Ų1067.8 Ų67.87%0.06836%0.359CS..Hα-helixtrans-64.1-35178.9-680000112.3Q725 H731 L732 N733 A755 M756Q725-C729 WeakPolarHBondContact O-CB 3.38Å; Q725-C729 PolarHBondContact O-N 3.17Å; Q725-C729 PolarHBondContact O-SG 3.05Å; C729-H731 VanDerWaalsContact C-N 3.31Å; C729-H731 PolarHBondContact O-N 2.77Å; C729-L732 PolarHBondContact O-N 3.19Å; C729-N733 WeakPolarHBondContact O-CB 3.25Å; C729-N733 PolarHBondContact O-N 2.97Å; C729-N733 PolarHBondContact O-ND2 3.08Å; C729-A755 HydrophobicContact CB-CB 4.08Å; C729-A755 WeakPolarHBondContact CB-O 3.39Å; C729-M756 HydrophobicContact CB-SD 4.34Å
730L92.7Very high90.9Very high52 Ų5265.4 Ų65.427%0.27233%0.332SS..Hα-helixtrans-63-36.6171.4179.860.8000111.7A726 I728 R734 L737 L751 R752 A755A726-L730 WeakPolarHBondContact O-CB 3.47Å; A726-L730 PolarHBondContact O-N 3.32Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.03Å; L730-R734 PolarHBondContact O-N 3.29Å; L730-L737 HydrophobicContact CD1-CD2 3.41Å; L730-L737 VanDerWaalsContact CD1-CD2 3.41Å; L730-L751 HydrophobicContact CD1-CB 4.36Å; L730-R752 HydrophobicContact CD2-CG 4.5Å; L730-A755 HydrophobicContact CB-CB 4.36Å
731H92.5Very high90.6Very high112 Ų11266.9 Ų66.952%0.51934%0.338SS..Hα-helixtrans-71.4-42.6173.3-174.190.8000112.8D727 I728 C729 N733 R734D727-H731 PolarHBondContact O-N 3.3Å; D727-H731 VanDerWaalsContact O-N 3.09Å; I728-H731 WeakPolarHBondContact O-CA 3.25Å; I728-H731 WeakPolarHBondContact O-CB 3.43Å; I728-H731 PolarHBondContact O-N 3.13Å; C729-H731 VanDerWaalsContact C-N 3.31Å; C729-H731 PolarHBondContact O-N 2.77Å; H731-N733 VanDerWaalsContact C-N 3.35Å; H731-N733 PolarHBondContact O-N 3.04Å; H731-R734 WeakPolarHBondContact O-CB 3.41Å; H731-R734 VanDerWaalsContact O-CD 3.24Å; H731-R734 WeakPolarHBondContact O-CD 3.49Å; H731-R734 WeakPolarHBondContact O-CG 3.49Å; H731-R734 PolarHBondContact O-N 3.05Å
732L90.8Very high90.4Very high89 Ų8963 Ų6347%0.46631%0.313SS..Hα-helixtrans-61.2-43.6178-69.9172.9000111.5I728 C729 R734 H831I728-L732 HydrophobicContact CG2-CD1 4.09Å; I728-L732 HydrophobicContact CG2-CG 4.37Å; I728-L732 WeakPolarHBondContact O-CG 3.49Å; I728-L732 PolarHBondContact O-N 3.48Å; C729-L732 PolarHBondContact O-N 3.19Å; L732-R734 VanDerWaalsContact C-N 3.34Å; L732-R734 PolarHBondContact O-N 3.49Å; L732-H831 PolarHBondContact O-NE2 3.24Å
733N91.3Very high90.3Very high3 Ų355.8 Ų55.82%0.01628%0.28CS..THydrogen-bonded Turntrans-89.79.4-177.3-60.9-54.5000113.6C729 H731 S735 L736 L737 A755 H831C729-N733 WeakPolarHBondContact O-CB 3.25Å; C729-N733 PolarHBondContact O-N 2.97Å; C729-N733 PolarHBondContact O-ND2 3.08Å; H731-N733 VanDerWaalsContact C-N 3.35Å; H731-N733 PolarHBondContact O-N 3.04Å; N733-S735 PolarHBondContact O-N 3.39Å; N733-S735 VanDerWaalsContact O-N 3.08Å; N733-L736 WeakPolarHBondContact O-CB 3.42Å; N733-L736 PolarHBondContact O-N 3.3Å; N733-L737 HydrophobicContact CB-CD1 3.43Å; N733-L737 VanDerWaalsContact CB-CD1 3.43Å; N733-L737 WeakPolarHBondContact O-CD1 3.19Å; N733-L737 PolarHBondContact O-N 3.19Å; N733-L737 VanDerWaalsContact O-N 3.15Å; N733-A755 PolarHBondContact ND2-O 3.05Å; N733-H831 VanDerWaalsContact CA-NE2 3.35Å; N733-H831 WeakPolarHBondContact CA-NE2 3.27Å; N733-H831 PolarHBondContact OD1-CE1 2.99Å; N733-H831 PolarHBondContact OD1-ND1 3.08Å; N733-H831 PolarHBondContact OD1-NE2 3.12Å
734R90.1Very high90Very high137 Ų13760.2 Ų60.252%0.51728%0.283SS..Hα-helixtrans-56.8-28.6-173.269.7-171.7165.1129.5-3.8115L730 H731 L732 Q738L730-R734 PolarHBondContact O-N 3.29Å; H731-R734 WeakPolarHBondContact O-CB 3.41Å; H731-R734 VanDerWaalsContact O-CD 3.24Å; H731-R734 WeakPolarHBondContact O-CD 3.49Å; H731-R734 WeakPolarHBondContact O-CG 3.49Å; H731-R734 PolarHBondContact O-N 3.05Å; L732-R734 VanDerWaalsContact C-N 3.34Å; L732-R734 PolarHBondContact O-N 3.49Å; R734-Q738 WeakPolarHBondContact O-CB 3.47Å; R734-Q738 WeakPolarHBondContact O-CG 3.47Å; R734-Q738 PolarHBondContact O-N 3.19Å
735S86.7Confident89.5Confident33 Ų3358.3 Ų58.323%0.23129%0.285CS..Hα-helixtrans-51-60.6169.739.20000110.5N733 H739 H831N733-S735 PolarHBondContact O-N 3.39Å; N733-S735 VanDerWaalsContact O-N 3.08Å; S735-H739 WeakPolarHBondContact O-CB 3.27Å; S735-H739 PolarHBondContact O-N 2.8Å; S735-H739 VanDerWaalsContact O-N 3.16Å; S735-H739 PolarHBondContact O-ND1 3.44Å; S735-H831 PolarHBondContact OG-NE2 2.99Å
736L89.3Confident89.4Confident4 Ų457.3 Ų57.32%0.02128%0.283CS..Hα-helixtrans-62.9-49.8-178.7179.7154.3000112.1N733 Q738 C740 F743 F758 F781 H831N733-L736 WeakPolarHBondContact O-CB 3.42Å; N733-L736 PolarHBondContact O-N 3.3Å; L736-Q738 VanDerWaalsContact C-N 3.27Å; L736-Q738 PolarHBondContact O-N 3.16Å; L736-C740 WeakPolarHBondContact O-CB 3.46Å; L736-C740 PolarHBondContact O-N 3.34Å; L736-F743 HydrophobicContact CD2-CD2 3.64Å; L736-F743 HydrophobicContact CD2-CE1 4.25Å; L736-F743 HydrophobicContact CD2-CE2 3.25Å; L736-F743 HydrophobicContact CD2-CG 4.29Å; L736-F743 HydrophobicContact CD2-CZ 3.6Å; L736-F743 HydrophobicContact CG-CD2 4.38Å; L736-F743 HydrophobicContact CG-CE2 3.88Å; L736-F743 HydrophobicContact CG-CZ 4.49Å; L736-F758 HydrophobicContact CD1-CD1 4.19Å; L736-F758 HydrophobicContact CD1-CE1 3.55Å; L736-F758 HydrophobicContact CD1-CE2 4.22Å; L736-F758 HydrophobicContact CD1-CZ 3.58Å; L736-F758 HydrophobicContact CD2-CD2 4.4Å; L736-F758 HydrophobicContact CD2-CE1 4.43Å; L736-F758 HydrophobicContact CD2-CE2 3.63Å; L736-F758 HydrophobicContact CD2-CZ 3.66Å; L736-F758 HydrophobicContact CG-CZ 4.32Å; L736-F781 HydrophobicContact CD1-CB 3.62Å; L736-F781 HydrophobicContact CD1-CD1 3.9Å; L736-F781 HydrophobicContact CD1-CD2 3.58Å; L736-F781 HydrophobicContact CD1-CE1 4.43Å; L736-F781 HydrophobicContact CD1-CE2 4.14Å; L736-F781 HydrophobicContact CD1-CG 3.45Å; L736-F781 VanDerWaalsContact CD1-CG 3.45Å; L736-F781 HydrophobicContact CG-CD1 4.26Å; L736-F781 HydrophobicContact CG-CG 4.28Å; L736-H831 HydrophobicContact CD1-CB 3.68Å
737L89.1Confident89.4Confident13 Ų1360.4 Ų60.47%0.06830%0.3CS..Hα-helixtrans-72-15.8-171.8-75.482.4000114L730 N733 L751 A755L730-L737 HydrophobicContact CD1-CD2 3.41Å; L730-L737 VanDerWaalsContact CD1-CD2 3.41Å; N733-L737 HydrophobicContact CB-CD1 3.43Å; N733-L737 VanDerWaalsContact CB-CD1 3.43Å; N733-L737 WeakPolarHBondContact O-CD1 3.19Å; N733-L737 PolarHBondContact O-N 3.19Å; N733-L737 VanDerWaalsContact O-N 3.15Å; L737-L751 HydrophobicContact CB-CD2 4.36Å; L737-L751 HydrophobicContact CD2-CB 3.87Å; L737-L751 HydrophobicContact CD2-CD2 3.62Å; L737-L751 HydrophobicContact CD2-CG 4.3Å; L737-L751 WeakPolarHBondContact CD2-O 3.44Å; L737-L751 HydrophobicContact CG-CD2 4.14Å; L737-A755 HydrophobicContact CD2-CB 4.4Å
738Q86.8Confident89.3Confident121 Ų12165.9 Ų65.957%0.56532%0.321SS*.Hα-helixtrans-106.3-34.6180-64-179.3-26.100113.9R734 L736 R744R734-Q738 WeakPolarHBondContact O-CB 3.47Å; R734-Q738 WeakPolarHBondContact O-CG 3.47Å; R734-Q738 PolarHBondContact O-N 3.19Å; L736-Q738 VanDerWaalsContact C-N 3.27Å; L736-Q738 PolarHBondContact O-N 3.16Å; Q738-R744 PolarHBondContact O-NE 3.2Å; Q738-R744 PolarHBondContact O-NH2 2.97Å
739H85.9Confident89.3Confident111 Ų11164.7 Ų64.751%0.51432%0.323SS..Hα-helixtrans-92.7-38.7-173.4-60.379.8000112.6S735S735-H739 WeakPolarHBondContact O-CB 3.27Å; S735-H739 PolarHBondContact O-N 2.8Å; S735-H739 VanDerWaalsContact O-N 3.16Å; S735-H739 PolarHBondContact O-ND1 3.44Å
740C85.4Confident89.3Confident10 Ų1064.2 Ų64.27%0.06832%0.32CS..SBendtrans-74.8129.9-177.3-590000111L736 P742 F743L736-C740 WeakPolarHBondContact O-CB 3.46Å; L736-C740 PolarHBondContact O-N 3.34Å; C740-P742 VanDerWaalsContact C-CD 3.46Å; C740-F743 HydrophobicContact CB-CD2 3.89Å; C740-F743 HydrophobicContact CB-CE2 4.04Å; C740-F743 PolarHBondContact O-N 3.23Å
741K87.2Confident89.4Confident118 Ų11863.1 Ų63.151%0.51331%0.314SS..G310 helixtrans-41.5-54.2179.8-66.1171.7175.7172.30114.2F743 R744 E857K741-F743 VanDerWaalsContact C-N 3.26Å; K741-F743 PolarHBondContact O-N 3.29Å; K741-F743 VanDerWaalsContact O-N 3.1Å; K741-R744 PolarHBondContact O-N 3.18Å; K741-E857 IonicContact NZ-OE1 2.82Å; K741-E857 PolarHBondContact NZ-OE1 3.4Å; K741-E857 IonicContact NZ-OE2 3.5Å; K741-E857 PolarHBondContact NZ-OE2 2.92Å
742P88.4Confident89.4Confident4 Ų462.7 Ų62.73%0.02631%0.308CS..G310 helixtrans-70.3-10.8-165.927.3-37.6000116.1C740 F848 F852 S855 L856C740-P742 VanDerWaalsContact C-CD 3.46Å; P742-F848 WeakPolarHBondContact O-CE2 3.36Å; P742-F848 WeakPolarHBondContact O-CZ 3.3Å; P742-F852 HydrophobicContact CB-CD2 3.81Å; P742-F852 HydrophobicContact CB-CE2 4.21Å; P742-F852 HydrophobicContact CG-CD2 4.49Å; P742-F852 HydrophobicContact CG-CE2 4.42Å; P742-S855 VanDerWaalsContact CA-OG 3.26Å; P742-S855 WeakPolarHBondContact CA-OG 3.3Å; P742-S855 WeakPolarHBondContact CB-OG 3.46Å; P742-L856 HydrophobicContact CB-CB 4.43Å; P742-L856 HydrophobicContact CG-CB 4.42Å; P742-L856 HydrophobicContact CG-CD1 4.24Å
743F90.4Very high89.6Confident4 Ų459.8 Ų59.82%0.01830%0.297CS..G310 helixtrans-94.2-9.6179.1-54.6-69.4000113.6L736 C740 K741 G745 A746 L751 L754 F758 F781 F848 F852L736-F743 HydrophobicContact CD2-CD2 3.64Å; L736-F743 HydrophobicContact CD2-CE1 4.25Å; L736-F743 HydrophobicContact CD2-CE2 3.25Å; L736-F743 HydrophobicContact CD2-CG 4.29Å; L736-F743 HydrophobicContact CD2-CZ 3.6Å; L736-F743 HydrophobicContact CG-CD2 4.38Å; L736-F743 HydrophobicContact CG-CE2 3.88Å; L736-F743 HydrophobicContact CG-CZ 4.49Å; C740-F743 HydrophobicContact CB-CD2 3.89Å; C740-F743 HydrophobicContact CB-CE2 4.04Å; C740-F743 PolarHBondContact O-N 3.23Å; K741-F743 VanDerWaalsContact C-N 3.26Å; K741-F743 PolarHBondContact O-N 3.29Å; K741-F743 VanDerWaalsContact O-N 3.1Å; F743-G745 VanDerWaalsContact C-N 3.3Å; F743-G745 PolarHBondContact O-N 3.41Å; F743-A746 WeakPolarHBondContact O-CB 3.45Å; F743-A746 PolarHBondContact O-N 3.33Å; F743-L751 HydrophobicContact CB-CD2 4.1Å; F743-L754 HydrophobicContact CD1-CD1 3.87Å; F743-L754 HydrophobicContact CE1-CD1 3.84Å; F743-F758 HydrophobicContact CZ-CE2 4.47Å; F743-F758 HydrophobicContact CZ-CZ 4.23Å; F743-F781 AromaticContact CE2-CE1 3.83Å; F743-F781 HydrophobicContact CE2-CE1 3.83Å; F743-F781 HydrophobicContact CE2-CZ 4.16Å; F743-F781 AromaticContact CZ-CE1 3.96Å; F743-F781 HydrophobicContact CZ-CE1 3.96Å; F743-F781 AromaticContact CZ-CZ 3.81Å; F743-F781 HydrophobicContact CZ-CZ 3.81Å; F743-F848 HydrophobicContact CD1-CZ 4.2Å; F743-F852 HydrophobicContact CE1-CD2 4.24Å; F743-F852 AromaticContact CE1-CE2 3.66Å; F743-F852 HydrophobicContact CE1-CE2 3.66Å; F743-F852 AromaticContact CZ-CE2 3.82Å; F743-F852 HydrophobicContact CZ-CE2 3.82Å
744R84.9Confident89.7Confident188 Ų18859.7 Ų59.771%0.70930%0.296SS*.THydrogen-bonded Turntrans-69.1-24.5-176.6-69.7-172.2173.3-176.6-1.5114.2Q738 K741Q738-R744 PolarHBondContact O-NE 3.2Å; Q738-R744 PolarHBondContact O-NH2 2.97Å; K741-R744 PolarHBondContact O-N 3.18Å
745G82.4Confident89.9Confident48 Ų4853.1 Ų53.150%0.49527%0.272SS..THydrogen-bonded Turntrans-88.8-3.1173.400000115.1F743F743-G745 VanDerWaalsContact C-N 3.3Å; F743-G745 PolarHBondContact O-N 3.41Å
746A90.3Very high90.2Very high16 Ų1655.1 Ų55.113%0.13228%0.278CS..  trans-76.6143.5-170.600000113.5F743 C750 L751 F848F743-A746 WeakPolarHBondContact O-CB 3.45Å; F743-A746 PolarHBondContact O-N 3.33Å; A746-C750 HydrophobicContact CB-CB 4.48Å; A746-L751 HydrophobicContact CB-CD2 3.58Å; A746-L751 HydrophobicContact CB-CG 3.76Å; A746-F848 HydrophobicContact CB-CD2 3.8Å; A746-F848 HydrophobicContact CB-CE2 3.44Å; A746-F848 VanDerWaalsContact CB-CE2 3.44Å; A746-F848 HydrophobicContact CB-CZ 3.94Å
747T93.4Very high90.3Very high74 Ų7457.2 Ų57.245%0.45429%0.287SS..  trans-67.7152.617172.80000111.2G749 C750 L751T747-G749 PolarHBondContact O-N 3.27Å; T747-G749 VanDerWaalsContact O-N 3.12Å; T747-C750 PolarHBondContact O-N 2.85Å; T747-C750 WeakPolarHBondContact OG1-CB 3.21Å; T747-C750 PolarHBondContact OG1-N 3.37Å; T747-L751 WeakPolarHBondContact O-CG 3.43Å; T747-L751 PolarHBondContact O-N 3.23Å
748K91.7Very high90.5Very high178 Ų17857.3 Ų57.377%0.77429%0.287SS*.Hα-helixtrans-60.4-23.6177.7-64.9-175.9-179179.60113.7R752K748-R752 WeakPolarHBondContact O-CG 3.31Å; K748-R752 PolarHBondContact O-N 3.35Å
749G92.1Very high90.7Very high33 Ų3356.1 Ų56.134%0.3428%0.28SS..Hα-helixtrans-70.7-50.5170.900000111.7T747 L751 R752 A753T747-G749 PolarHBondContact O-N 3.27Å; T747-G749 VanDerWaalsContact O-N 3.12Å; G749-L751 PolarHBondContact O-N 3.1Å; G749-R752 PolarHBondContact O-N 3.19Å; G749-A753 PolarHBondContact O-N 3.04Å
750C93.8Very high90.9Very high0 Ų054.2 Ų54.20%028%0.276CS..Hα-helixtrans-59.3-45.7176.5-175.60000112.3A746 T747 R752 A753 L754 Y845 F848A746-C750 HydrophobicContact CB-CB 4.48Å; T747-C750 PolarHBondContact O-N 2.85Å; T747-C750 WeakPolarHBondContact OG1-CB 3.21Å; T747-C750 PolarHBondContact OG1-N 3.37Å; C750-R752 VanDerWaalsContact C-N 3.28Å; C750-R752 PolarHBondContact O-N 2.93Å; C750-A753 PolarHBondContact O-N 2.72Å; C750-L754 WeakPolarHBondContact O-CB 3.49Å; C750-L754 WeakPolarHBondContact O-CG 3.49Å; C750-L754 PolarHBondContact O-N 2.86Å; C750-Y845 HydrophobicContact CB-CD1 4.19Å; C750-Y845 HydrophobicContact CB-CD2 3.71Å; C750-Y845 HydrophobicContact CB-CE1 4.28Å; C750-Y845 HydrophobicContact CB-CE2 3.81Å; C750-Y845 HydrophobicContact CB-CG 3.92Å; C750-F848 WeakPolarHBondContact SG-CD1 3.27Å
751L94.2Very high91.1Very high30 Ų3055.8 Ų55.816%0.15729%0.286CS..Hα-helixtrans-56.2-40.3175.4-69.1175.3000112.6L730 L737 F743 A746 T747 G749 A755L730-L751 HydrophobicContact CD1-CB 4.36Å; L737-L751 HydrophobicContact CB-CD2 4.36Å; L737-L751 HydrophobicContact CD2-CB 3.87Å; L737-L751 HydrophobicContact CD2-CD2 3.62Å; L737-L751 HydrophobicContact CD2-CG 4.3Å; L737-L751 WeakPolarHBondContact CD2-O 3.44Å; L737-L751 HydrophobicContact CG-CD2 4.14Å; F743-L751 HydrophobicContact CB-CD2 4.1Å; A746-L751 HydrophobicContact CB-CD2 3.58Å; A746-L751 HydrophobicContact CB-CG 3.76Å; T747-L751 WeakPolarHBondContact O-CG 3.43Å; T747-L751 PolarHBondContact O-N 3.23Å; G749-L751 PolarHBondContact O-N 3.1Å; L751-A755 WeakPolarHBondContact O-CB 3.3Å; L751-A755 PolarHBondContact O-N 2.96Å
752R93.6Very high91.1Very high102 Ų10252.7 Ų52.739%0.38527%0.273SS..Hα-helixtrans-69.6-43.4175.9-82.2176.5169.2170.7-6.5112.4A726 D727 L730 K748 G749 C750 A755 M756A726-R752 HydrophobicContact CB-CB 4.07Å; A726-R752 HydrophobicContact CB-CG 4.04Å; D727-R752 IonicContact OD1-CZ 3.77Å; D727-R752 IonicContact OD1-NE 3.66Å; D727-R752 PolarHBondContact OD1-NE 3.31Å; D727-R752 IonicContact OD1-NH2 3.28Å; D727-R752 PolarHBondContact OD1-NH2 3.07Å; D727-R752 IonicContact OD2-CZ 2.78Å; D727-R752 IonicContact OD2-NH2 3.25Å; D727-R752 PolarHBondContact OD2-NH2 2.78Å; L730-R752 HydrophobicContact CD2-CG 4.5Å; K748-R752 WeakPolarHBondContact O-CG 3.31Å; K748-R752 PolarHBondContact O-N 3.35Å; G749-R752 PolarHBondContact O-N 3.19Å; C750-R752 VanDerWaalsContact C-N 3.28Å; C750-R752 PolarHBondContact O-N 2.93Å; R752-A755 PolarHBondContact O-N 3.46Å; R752-M756 WeakPolarHBondContact O-CG 3.34Å; R752-M756 PolarHBondContact O-N 3.45Å
753A94.1Very high91.2Very high29 Ų2952.8 Ų52.824%0.2427%0.274CS..Hα-helixtrans-61.4-48.2177.200000111.6G749 C750 M756 K757 V841 Y845G749-A753 PolarHBondContact O-N 3.04Å; C750-A753 PolarHBondContact O-N 2.72Å; A753-M756 PolarHBondContact O-N 3.04Å; A753-K757 WeakPolarHBondContact O-CG 3.44Å; A753-K757 PolarHBondContact O-N 3.39Å; A753-V841 HydrophobicContact CB-CG1 3.87Å; A753-V841 HydrophobicContact CB-CG2 4.26Å; A753-Y845 HydrophobicContact CB-CE2 4.23Å
754L94.2Very high91.1Very high0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-58.7-48.6173.5-70.4169.7000111.6F743 C750 M756 K757 F758 I833 L838 V841 F848F743-L754 HydrophobicContact CD1-CD1 3.87Å; F743-L754 HydrophobicContact CE1-CD1 3.84Å; C750-L754 WeakPolarHBondContact O-CB 3.49Å; C750-L754 WeakPolarHBondContact O-CG 3.49Å; C750-L754 PolarHBondContact O-N 2.86Å; L754-M756 VanDerWaalsContact C-N 3.26Å; L754-M756 PolarHBondContact O-N 3.04Å; L754-K757 PolarHBondContact O-N 3.17Å; L754-F758 HydrophobicContact CB-CD2 4.35Å; L754-F758 HydrophobicContact CB-CE2 4.21Å; L754-F758 WeakPolarHBondContact O-CD2 3.29Å; L754-F758 PolarHBondContact O-N 3.48Å; L754-I833 HydrophobicContact CD2-CD1 4.28Å; L754-L838 HydrophobicContact CD2-CD1 3.92Å; L754-V841 HydrophobicContact CD2-CB 4.16Å; L754-V841 HydrophobicContact CD2-CG1 3.77Å; L754-V841 HydrophobicContact CG-CG1 3.87Å; L754-F848 HydrophobicContact CD1-CE1 3.97Å; L754-F848 HydrophobicContact CD1-CZ 4.32Å
755A93.7Very high91.3Very high0 Ų047.4 Ų47.40%026%0.264CS..Hα-helixtrans-59.5-36-178.700000112.8C729 L730 N733 L737 L751 R752 K757C729-A755 HydrophobicContact CB-CB 4.08Å; C729-A755 WeakPolarHBondContact CB-O 3.39Å; L730-A755 HydrophobicContact CB-CB 4.36Å; N733-A755 PolarHBondContact ND2-O 3.05Å; L737-A755 HydrophobicContact CD2-CB 4.4Å; L751-A755 WeakPolarHBondContact O-CB 3.3Å; L751-A755 PolarHBondContact O-N 2.96Å; R752-A755 PolarHBondContact O-N 3.46Å; A755-K757 VanDerWaalsContact C-N 3.32Å; A755-K757 PolarHBondContact O-N 3Å
756M92.4Very high91.6Very high75 Ų7546.6 Ų46.637%0.36926%0.255SS..Hα-helixtrans-68.2-26.6175-76.1-64.7-73.200114Q725 A726 C729 R752 A753 L754Q725-M756 VanDerWaalsContact C-SD 3.53Å; Q725-M756 HydrophobicContact CB-CE 3.75Å; Q725-M756 HydrophobicContact CB-SD 3.69Å; A726-M756 VanDerWaalsContact CA-SD 3.56Å; A726-M756 HydrophobicContact CB-CG 3.89Å; A726-M756 HydrophobicContact CB-SD 4.13Å; A726-M756 PolarHBondContact N-SD 2.99Å; A726-M756 VanDerWaalsContact N-SD 3.43Å; C729-M756 HydrophobicContact CB-SD 4.34Å; R752-M756 WeakPolarHBondContact O-CG 3.34Å; R752-M756 PolarHBondContact O-N 3.45Å; A753-M756 PolarHBondContact O-N 3.04Å; L754-M756 VanDerWaalsContact C-N 3.26Å; L754-M756 PolarHBondContact O-N 3.04Å
757K93.1Very high91.5Very high47 Ų4748 Ų4820%0.20426%0.26CS..Hα-helixtrans-86.6-28176.9-67.1-64-147.1165.80113.1A753 L754 A755 I833 D837 E840 V841A753-K757 WeakPolarHBondContact O-CG 3.44Å; A753-K757 PolarHBondContact O-N 3.39Å; L754-K757 PolarHBondContact O-N 3.17Å; A755-K757 VanDerWaalsContact C-N 3.32Å; A755-K757 PolarHBondContact O-N 3Å; K757-I833 HydrophobicContact CB-CD1 4.02Å; K757-I833 HydrophobicContact CB-CG1 4.29Å; K757-D837 HydrophobicContact CB-CB 4.15Å; K757-D837 HydrophobicContact CD-CB 3.85Å; K757-D837 WeakPolarHBondContact CD-OD1 3.36Å; K757-D837 WeakPolarHBondContact CE-OD1 3.26Å; K757-D837 HydrophobicContact CG-CB 4.24Å; K757-D837 IonicContact NZ-OD1 2.66Å; K757-D837 PolarHBondContact NZ-OD1 2.89Å; K757-E840 WeakPolarHBondContact CE-OE2 3.35Å; K757-E840 IonicContact NZ-OE2 3.21Å; K757-E840 PolarHBondContact NZ-OE2 2.8Å; K757-V841 HydrophobicContact CG-CG2 4.01Å
758F92.7Very high91.4Very high15 Ų1546.4 Ų46.47%0.06625%0.251CS..  trans-66134178.4-89.7-66.1000112.8L736 F743 L754 F781 H831 I833L736-F758 HydrophobicContact CD1-CD1 4.19Å; L736-F758 HydrophobicContact CD1-CE1 3.55Å; L736-F758 HydrophobicContact CD1-CE2 4.22Å; L736-F758 HydrophobicContact CD1-CZ 3.58Å; L736-F758 HydrophobicContact CD2-CD2 4.4Å; L736-F758 HydrophobicContact CD2-CE1 4.43Å; L736-F758 HydrophobicContact CD2-CE2 3.63Å; L736-F758 HydrophobicContact CD2-CZ 3.66Å; L736-F758 HydrophobicContact CG-CZ 4.32Å; F743-F758 HydrophobicContact CZ-CE2 4.47Å; F743-F758 HydrophobicContact CZ-CZ 4.23Å; L754-F758 HydrophobicContact CB-CD2 4.35Å; L754-F758 HydrophobicContact CB-CE2 4.21Å; L754-F758 WeakPolarHBondContact O-CD2 3.29Å; L754-F758 PolarHBondContact O-N 3.48Å; F758-F781 AromaticContact CE1-CD2 3.73Å; F758-F781 HydrophobicContact CE1-CD2 3.73Å; F758-F781 AromaticContact CE1-CE2 3.58Å; F758-F781 HydrophobicContact CE1-CE2 3.58Å; F758-F781 HydrophobicContact CZ-CD2 4.14Å; F758-F781 AromaticContact CZ-CE2 3.64Å; F758-F781 HydrophobicContact CZ-CE2 3.64Å; F758-F781 HydrophobicContact CZ-CZ 4.2Å; F758-H831 HydrophobicContact CD1-CB 4.06Å; F758-H831 HydrophobicContact CE1-CB 4.37Å; F758-I833 HydrophobicContact CD1-CB 3.84Å; F758-I833 HydrophobicContact CD2-CD1 4.46Å; F758-I833 HydrophobicContact CE1-CB 3.69Å; F758-I833 HydrophobicContact CE1-CD1 4.44Å; F758-I833 HydrophobicContact CE1-CG2 3.88Å; F758-I833 HydrophobicContact CE2-CD1 4.3Å; F758-I833 HydrophobicContact CZ-CB 4.29Å; F758-I833 HydrophobicContact CZ-CD1 4.28Å; F758-I833 HydrophobicContact CZ-CG2 4.28Å
759K91.2Very high91.5Very high97 Ų9740.2 Ų40.242%0.42223%0.226SC..EExtended strand (participates in β ladder)trans-116.2129176.6-62.7167-163.7169.10109.2K832 H834 D837K759-K832 PolarHBondContact N-O 3Å; K759-K832 PolarHBondContact O-N 3.4Å; K759-H834 PolarHBondContact NZ-CD2 3.35Å; K759-H834 PolarHBondContact NZ-NE2 2.97Å; K759-D837 IonicContact NZ-OD2 2.71Å
760T89.7Confident91.5Very high70 Ų7039 Ų3943%0.42921%0.212SC..EExtended strand (participates in β ladder)trans-79.3130.4171.548.80000110.1
761T88.6Confident91.5Very high44 Ų4443.2 Ų43.227%0.2723%0.232SC..EExtended strand (participates in β ladder)trans-126.9139.8177.335.80000109.7L830 K832T761-L830 PolarHBondContact N-O 3.39Å; T761-L830 WeakPolarHBondContact O-CG 3.34Å; T761-L830 PolarHBondContact O-N 2.9Å; T761-L830 VanDerWaalsContact O-O 3.07Å; T761-L830 WeakPolarHBondContact OG1-CD1 3.2Å; T761-L830 WeakPolarHBondContact OG1-CG 3.42Å; T761-L830 PolarHBondContact OG1-O 3.02Å; T761-K832 HydrophobicContact CG2-CD 4.48Å
762H88Confident91.4Very high53 Ų5344.7 Ų44.725%0.24525%0.248CC..EExtended strand (participates in β ladder)trans-120.9122.8-177.6-60.5-78.5000108.7Y707 C828 D829Y707-H762 AromaticContact CE1-CD2 3.57Å; Y707-H762 AromaticContact CE1-CE1 3.65Å; Y707-H762 AromaticContact CE1-NE2 3.29Å; Y707-H762 VanDerWaalsContact CE1-NE2 3.29Å; Y707-H762 WeakPolarHBondContact CE1-NE2 3.37Å; Y707-H762 AromaticContact CZ-CE1 3.42Å; Y707-H762 VanDerWaalsContact CZ-CE1 3.42Å; Y707-H762 AromaticContact CZ-ND1 3.94Å; Y707-H762 AromaticContact CZ-NE2 3.54Å; Y707-H762 PolarHBondContact OH-CE1 3.11Å; Y707-H762 PolarHBondContact OH-NE2 3.14Å; H762-C828 WeakPolarHBondContact CA-O 3.49Å; H762-D829 IonicContact CE1-OD1 3.46Å; H762-D829 PolarHBondContact CE1-OD1 3.27Å; H762-D829 IonicContact CG-OD1 2.73Å; H762-D829 IonicContact ND1-OD1 2.72Å; H762-D829 PolarHBondContact ND1-OD1 3.22Å
763A89.9Confident91.2Very high5 Ų541.7 Ų41.74%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-111.7123.6178.600000109.8L769 A824 Y827 C828 L830A763-L769 HydrophobicContact CB-CD1 4.26Å; A763-L769 HydrophobicContact CB-CD2 4.11Å; A763-L769 HydrophobicContact CB-CG 4.3Å; A763-A824 HydrophobicContact CB-CB 3.78Å; A763-Y827 WeakPolarHBondContact O-CA 3.48Å; A763-C828 HydrophobicContact CB-CB 4.38Å; A763-C828 PolarHBondContact N-O 3.41Å; A763-C828 PolarHBondContact O-N 3.32Å; A763-L830 HydrophobicContact CB-CD2 4Å
764P89.2Confident91.2Very high18 Ų1843.7 Ų43.712%0.11726%0.256CS..  trans-74.7164.8169.833.8-35.4000111.3G766 D767 A824 Y827P764-G766 PolarHBondContact O-N 2.82Å; P764-D767 VanDerWaalsContact CD-OD2 3.28Å; P764-D767 WeakPolarHBondContact CD-OD2 3.28Å; P764-D767 HydrophobicContact CG-CB 4.14Å; P764-D767 WeakPolarHBondContact CG-OD2 3.49Å; P764-D767 PolarHBondContact O-N 3.5Å; P764-A824 WeakPolarHBondContact O-CB 3.34Å; P764-Y827 HydrophobicContact CB-CD1 4.14Å; P764-Y827 HydrophobicContact CB-CE1 3.86Å
765P89.9Confident91Very high61 Ų6148.6 Ų48.640%0.39628%0.281SS..THydrogen-bonded Turntrans-52.8134.6174.2-24.332.4000112.7D767 Y827P765-D767 VanDerWaalsContact C-N 3.34Å; P765-D767 PolarHBondContact O-N 3.02Å; P765-Y827 HydrophobicContact CG-CD2 4.19Å; P765-Y827 HydrophobicContact CG-CE2 4.03Å
766G87.3Confident90.9Very high31 Ų3148.9 Ų48.932%0.3228%0.283SS..THydrogen-bonded Turntrans86-10.4176.700000115.9P764 R823 A824P764-G766 PolarHBondContact O-N 2.82Å; G766-R823 WeakPolarHBondContact O-CG 3.35Å; G766-A824 PolarHBondContact N-O 2.98Å
767D89Confident90.8Very high45 Ų4548.5 Ų48.524%0.24129%0.285CS..  trans-76.3135.4177.3-93.5-2.7000112.1P764 P765 R823 A824P764-D767 VanDerWaalsContact CD-OD2 3.28Å; P764-D767 WeakPolarHBondContact CD-OD2 3.28Å; P764-D767 HydrophobicContact CG-CB 4.14Å; P764-D767 WeakPolarHBondContact CG-OD2 3.49Å; P764-D767 PolarHBondContact O-N 3.5Å; P765-D767 VanDerWaalsContact C-N 3.34Å; P765-D767 PolarHBondContact O-N 3.02Å; D767-R823 WeakPolarHBondContact O-CA 3.36Å; D767-R823 WeakPolarHBondContact O-CG 3.31Å; D767-A824 PolarHBondContact O-N 3.04Å
768T91.6Very high90.8Very high41 Ų4146.6 Ų46.625%0.25228%0.278SS..EExtended strand (participates in β ladder)trans-95.1115.3179.244.10000110.7H771 V822 R823T768-H771 PolarHBondContact OG1-CE1 3.35Å; T768-H771 PolarHBondContact OG1-NE2 3.44Å; T768-V822 CarbonylContact C-O 3.54Å; T768-V822 VanDerWaalsContact CA-O 3.3Å; T768-V822 WeakPolarHBondContact CA-O 3.27Å; T768-R823 HydrophobicContact CG2-CB 4.11Å; T768-R823 HydrophobicContact CG2-CG 3.95Å
769L92.3Very high90.8Very high48 Ų4846 Ų4625%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-82.8-27.7-175.8-75.6167.5000114.1A763 I787 F805 V822 L830A763-L769 HydrophobicContact CB-CD1 4.26Å; A763-L769 HydrophobicContact CB-CD2 4.11Å; A763-L769 HydrophobicContact CB-CG 4.3Å; L769-I787 HydrophobicContact CD1-CD1 3.92Å; L769-F805 HydrophobicContact CD1-CZ 4.41Å; L769-V822 HydrophobicContact CB-CG1 4.42Å; L769-V822 PolarHBondContact N-O 2.86Å; L769-L830 HydrophobicContact CD1-CD1 3.67Å; L769-L830 HydrophobicContact CD1-CD2 4.03Å; L769-L830 HydrophobicContact CD2-CD1 3.91Å; L769-L830 HydrophobicContact CG-CD1 4.44Å
770V93.2Very high91Very high9 Ų942.1 Ų42.16%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-149.8137.5179.5-1770000106.6D774 L776 Y780 D821 V822V770-D774 HydrophobicContact CG1-CB 3.97Å; V770-L776 HydrophobicContact CG1-CD2 4.42Å; V770-Y780 HydrophobicContact CG2-CE2 4.24Å; V770-D821 CarbonylContact O-C 3.54Å; V770-D821 VanDerWaalsContact O-CA 3.31Å; V770-D821 WeakPolarHBondContact O-CA 3.41Å; V770-V822 HydrophobicContact CB-CB 4.16Å; V770-V822 HydrophobicContact CB-CG2 4.03Å; V770-V822 HydrophobicContact CG2-CG2 4.49Å; V770-V822 PolarHBondContact O-N 3.43Å
771H93.5Very high91.2Very high88 Ų8839 Ų3941%0.40724%0.238SC..  trans-102.4158.9171.1-66.8-69.3000111.6T768 G773 D774 S818 D821T768-H771 PolarHBondContact OG1-CE1 3.35Å; T768-H771 PolarHBondContact OG1-NE2 3.44Å; H771-G773 PolarHBondContact O-N 2.96Å; H771-D774 PolarHBondContact N-OD2 2.98Å; H771-D774 VanDerWaalsContact O-CB 3.3Å; H771-D774 WeakPolarHBondContact O-CB 3.13Å; H771-D774 PolarHBondContact O-N 2.87Å; H771-S818 PolarHBondContact O-OG 3.23Å; H771-D821 WeakPolarHBondContact CA-OD1 3.45Å; H771-D821 IonicContact CE1-OD2 3.2Å; H771-D821 IonicContact CG-OD2 2.81Å; H771-D821 IonicContact ND1-OD1 3.98Å; H771-D821 IonicContact ND1-OD2 2.7Å; H771-D821 PolarHBondContact ND1-OD2 2.86Å
772A92.4Very high91.5Very high60 Ų6037 Ų3750%0.49623%0.226SC..THydrogen-bonded Turntrans-61.8126175.300000112.1D821A772-D821 PolarHBondContact N-OD1 3.25Å
773G90Very high91.6Very high39 Ų3935.7 Ų35.740%0.40222%0.223SC..THydrogen-bonded Turntrans94.9-11.3-175.800000115.8H771 S818H771-G773 PolarHBondContact O-N 2.96Å; G773-S818 PolarHBondContact N-O 3.24Å; G773-S818 VanDerWaalsContact N-O 3.09Å; G773-S818 PolarHBondContact N-OG 2.99Å
774D92.4Very high91.7Very high72 Ų7243 Ų4339%0.38525%0.249SC..  trans-60.6154.8173.4-79.2-17.9000112.9V770 H771 K817 S818V770-D774 HydrophobicContact CG1-CB 3.97Å; H771-D774 PolarHBondContact N-OD2 2.98Å; H771-D774 VanDerWaalsContact O-CB 3.3Å; H771-D774 WeakPolarHBondContact O-CB 3.13Å; H771-D774 PolarHBondContact O-N 2.87Å; D774-K817 CarbonylContact O-C 3.58Å; D774-K817 VanDerWaalsContact O-CA 3.3Å; D774-K817 WeakPolarHBondContact O-CA 3.4Å; D774-S818 PolarHBondContact N-OG 2.88Å; D774-S818 PolarHBondContact O-N 3.19Å; D774-S818 PolarHBondContact O-OG 3.38Å
775L91.8Very high91.9Very high102 Ų10243.1 Ų43.153%0.53425%0.253SS..BIsolated β-bridgetrans-81.9124.8175.8-64.1178.2000111.8T777 G816 K817L775-T777 HydrophobicContact CB-CG2 4.14Å; L775-T777 PolarHBondContact O-N 2.92Å; L775-T777 PolarHBondContact O-OG1 3.47Å; L775-G816 WeakPolarHBondContact CA-O 3.27Å; L775-K817 HydrophobicContact CD2-CG 4.3Å
776L91.1Very high92.1Very high6 Ų641.6 Ų41.63%0.03124%0.244CC..  trans-74.773178.6-61.7174.8000111V770 A778 E807 G816 R835 L862V770-L776 HydrophobicContact CG1-CD2 4.42Å; L776-A778 VanDerWaalsContact C-N 3.34Å; L776-E807 HydrophobicContact CB-CB 4.28Å; L776-E807 HydrophobicContact CD1-CB 3.96Å; L776-G816 PolarHBondContact N-O 3.36Å; L776-R835 PolarHBondContact O-NH1 3.34Å; L776-L862 HydrophobicContact CD1-CB 3.75Å; L776-L862 HydrophobicContact CD2-CB 3.89Å; L776-L862 HydrophobicContact CD2-CD1 3.95Å
777T90.6Very high92.6Very high67 Ų6740.1 Ų40.141%0.41123%0.229SC..  trans-83.2-5.1-178.551.40000114.1L775 H834 R835L775-T777 HydrophobicContact CB-CG2 4.14Å; L775-T777 PolarHBondContact O-N 2.92Å; L775-T777 PolarHBondContact O-OG1 3.47Å; T777-H834 WeakPolarHBondContact O-CA 3.45Å; T777-R835 PolarHBondContact O-N 3.05Å
778A92.9Very high92.9Very high7 Ų739 Ų396%0.05822%0.222CC..EExtended strand (participates in β ladder)trans-149.8154.6-177.200000111.8L776 Y780 K832 I833L776-A778 VanDerWaalsContact C-N 3.34Å; A778-Y780 HydrophobicContact CB-CE2 4.16Å; A778-K832 HydrophobicContact CB-CD 4.29Å; A778-K832 VanDerWaalsContact CB-CE 3.47Å; A778-K832 HydrophobicContact CB-CG 3.83Å; A778-I833 CarbonylContact C-O 3.58Å; A778-I833 WeakPolarHBondContact CA-O 3.29Å; A778-I833 VanDerWaalsContact CB-O 3.25Å; A778-I833 WeakPolarHBondContact CB-O 3.3Å
779L93Very high93.1Very high2 Ų237.1 Ų37.11%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-110.7138.2172-172.1152.3000108.4F781 I804 L809 I833 L856 I858L779-F781 HydrophobicContact CD2-CD2 3.85Å; L779-F781 HydrophobicContact CD2-CE1 4.2Å; L779-F781 HydrophobicContact CD2-CE2 3.22Å; L779-F781 HydrophobicContact CD2-CZ 3.42Å; L779-F781 VanDerWaalsContact CD2-CZ 3.42Å; L779-I804 HydrophobicContact CD2-CG2 3.68Å; L779-I804 HydrophobicContact CG-CG2 4.33Å; L779-L809 HydrophobicContact CD1-CD1 4.19Å; L779-I833 HydrophobicContact CB-CG2 4.41Å; L779-I833 PolarHBondContact N-O 2.97Å; L779-I833 PolarHBondContact O-N 2.85Å; L779-I833 VanDerWaalsContact O-N 3.1Å; L779-L856 HydrophobicContact CD1-CD2 4.39Å; L779-I858 HydrophobicContact CD1-CD1 4.14Å
780Y94.2Very high93.1Very high17 Ų1735.3 Ų35.37%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-121.2139.7-169.6-63.9-89.5000111.5V770 A778 I804 F805 L830 H831 K832V770-Y780 HydrophobicContact CG2-CE2 4.24Å; A778-Y780 HydrophobicContact CB-CE2 4.16Å; Y780-I804 WeakPolarHBondContact O-CA 3.18Å; Y780-F805 HydrophobicContact CD1-CE2 4.43Å; Y780-F805 HydrophobicContact CD1-CZ 4.25Å; Y780-F805 AromaticContact CD2-CD2 3.87Å; Y780-F805 HydrophobicContact CD2-CD2 3.87Å; Y780-F805 AromaticContact CD2-CE2 3.38Å; Y780-F805 HydrophobicContact CD2-CE2 3.38Å; Y780-F805 AromaticContact CD2-CZ 3.99Å; Y780-F805 HydrophobicContact CD2-CZ 3.99Å; Y780-F805 HydrophobicContact CE2-CE2 4.11Å; Y780-F805 HydrophobicContact CG-CD2 4.22Å; Y780-F805 HydrophobicContact CG-CE1 4.35Å; Y780-F805 AromaticContact CG-CE2 3.56Å; Y780-F805 HydrophobicContact CG-CE2 3.56Å; Y780-F805 AromaticContact CG-CZ 3.65Å; Y780-F805 HydrophobicContact CG-CZ 3.65Å; Y780-F805 PolarHBondContact N-O 3.31Å; Y780-F805 PolarHBondContact O-N 3.31Å; Y780-L830 HydrophobicContact CD1-CD1 3.71Å; Y780-L830 HydrophobicContact CE1-CD1 4.05Å; Y780-H831 WeakPolarHBondContact CA-O 3.3Å; Y780-K832 HydrophobicContact CD1-CB 3.96Å; Y780-K832 HydrophobicContact CD1-CD 4.44Å; Y780-K832 HydrophobicContact CD1-CG 4Å; Y780-K832 HydrophobicContact CE1-CB 3.95Å; Y780-K832 HydrophobicContact CE1-CD 3.6Å; Y780-K832 HydrophobicContact CE1-CG 3.61Å; Y780-K832 WeakPolarHBondContact OH-CE 3.29Å; Y780-K832 PolarHBondContact OH-NZ 3.05Å
781F93.8Very high93Very high4 Ų439 Ų392%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-123.5124176.5-58.1-105.5000109L736 F743 F758 L779 I804 L830 H831 I833 L856L736-F781 HydrophobicContact CD1-CB 3.62Å; L736-F781 HydrophobicContact CD1-CD1 3.9Å; L736-F781 HydrophobicContact CD1-CD2 3.58Å; L736-F781 HydrophobicContact CD1-CE1 4.43Å; L736-F781 HydrophobicContact CD1-CE2 4.14Å; L736-F781 HydrophobicContact CD1-CG 3.45Å; L736-F781 VanDerWaalsContact CD1-CG 3.45Å; L736-F781 HydrophobicContact CG-CD1 4.26Å; L736-F781 HydrophobicContact CG-CG 4.28Å; F743-F781 AromaticContact CE2-CE1 3.83Å; F743-F781 HydrophobicContact CE2-CE1 3.83Å; F743-F781 HydrophobicContact CE2-CZ 4.16Å; F743-F781 AromaticContact CZ-CE1 3.96Å; F743-F781 HydrophobicContact CZ-CE1 3.96Å; F743-F781 AromaticContact CZ-CZ 3.81Å; F743-F781 HydrophobicContact CZ-CZ 3.81Å; F758-F781 AromaticContact CE1-CD2 3.73Å; F758-F781 HydrophobicContact CE1-CD2 3.73Å; F758-F781 AromaticContact CE1-CE2 3.58Å; F758-F781 HydrophobicContact CE1-CE2 3.58Å; F758-F781 HydrophobicContact CZ-CD2 4.14Å; F758-F781 AromaticContact CZ-CE2 3.64Å; F758-F781 HydrophobicContact CZ-CE2 3.64Å; F758-F781 HydrophobicContact CZ-CZ 4.2Å; L779-F781 HydrophobicContact CD2-CD2 3.85Å; L779-F781 HydrophobicContact CD2-CE1 4.2Å; L779-F781 HydrophobicContact CD2-CE2 3.22Å; L779-F781 HydrophobicContact CD2-CZ 3.42Å; L779-F781 VanDerWaalsContact CD2-CZ 3.42Å; F781-I804 HydrophobicContact CD1-CD1 3.76Å; F781-I804 HydrophobicContact CD1-CG1 3.71Å; F781-I804 HydrophobicContact CD1-CG2 4.32Å; F781-I804 HydrophobicContact CE1-CD1 3.65Å; F781-I804 HydrophobicContact CE1-CG1 4.08Å; F781-I804 HydrophobicContact CE1-CG2 4.3Å; F781-L830 CarbonylContact O-C 3.53Å; F781-L830 WeakPolarHBondContact O-CA 3.41Å; F781-H831 HydrophobicContact CB-CB 4.46Å; F781-H831 PolarHBondContact N-O 3.06Å; F781-H831 PolarHBondContact O-N 3.05Å; F781-I833 HydrophobicContact CE2-CG2 4.28Å; F781-L856 HydrophobicContact CE1-CD1 4.36Å; F781-L856 HydrophobicContact CZ-CD1 4.35Å
782I94.4Very high92.6Very high3 Ų338.4 Ų38.42%0.01523%0.232CC..EExtended strand (participates in β ladder)trans-86.5121.7-180-54.9174.4000109.1R784 I787 L799 G800 N802 D803 F805I782-R784 WeakPolarHBondContact CG2-O 3.39Å; I782-I787 HydrophobicContact CD1-CB 4.09Å; I782-I787 HydrophobicContact CD1-CD1 3.68Å; I782-I787 HydrophobicContact CD1-CG1 3.97Å; I782-I787 HydrophobicContact CG1-CD1 3.89Å; I782-L799 HydrophobicContact CD1-CB 3.47Å; I782-L799 VanDerWaalsContact CD1-CB 3.47Å; I782-L799 HydrophobicContact CD1-CD1 4.3Å; I782-G800 VanDerWaalsContact CB-O 3.25Å; I782-G800 WeakPolarHBondContact CB-O 3.49Å; I782-G800 WeakPolarHBondContact CG2-O 3.34Å; I782-N802 VanDerWaalsContact O-CA 3.26Å; I782-N802 WeakPolarHBondContact O-CA 3.45Å; I782-N802 PolarHBondContact O-N 3.21Å; I782-D803 HydrophobicContact CD1-CB 4.32Å; I782-D803 PolarHBondContact N-O 2.88Å; I782-F805 HydrophobicContact CD1-CD1 4.12Å; I782-F805 HydrophobicContact CD1-CE1 3.98Å; I782-F805 HydrophobicContact CG1-CD1 4.12Å; I782-F805 HydrophobicContact CG1-CE1 3.77Å
783S91.1Very high92.3Very high24 Ų2442.3 Ų42.317%0.16824%0.244CC..EExtended strand (participates in β ladder)trans-96.3-35.3173.174.30000112.5D829S783-D829 WeakPolarHBondContact CB-O 3.29Å; S783-D829 PolarHBondContact N-O 2.97Å; S783-D829 WeakPolarHBondContact OG-CB 3.29Å; S783-D829 PolarHBondContact OG-O 3.47Å
784R91.7Very high92.4Very high160 Ų16045.1 Ų45.160%0.60425%0.253SS*.EExtended strand (participates in β ladder)trans-146.5156.8179.4-63.6176.3163.3-176.1-3111.4I782 C828 D829I782-R784 WeakPolarHBondContact CG2-O 3.39Å; R784-C828 VanDerWaalsContact O-CA 3.31Å; R784-C828 WeakPolarHBondContact O-CA 3.36Å; R784-D829 HydrophobicContact CB-CB 3.99Å; R784-D829 WeakPolarHBondContact CD-OD2 3.35Å; R784-D829 PolarHBondContact N-O 2.8Å; R784-D829 PolarHBondContact O-N 3.05Å
785G93Very high92.4Very high19 Ų1944.9 Ų44.920%0.19625%0.254CS..SBendtrans85.7-168.1-177.100000113.7T826G785-T826 WeakPolarHBondContact CA-OG1 3.4Å
786S95.8Very high92.5Very high29 Ų2943.3 Ų43.320%0.20325%0.249CC..  trans-139.2145.4174.354.20000111.9L799 L825 T826 C828S786-L799 CarbonylContact C-O 3.25Å; S786-L799 VanDerWaalsContact CA-O 3.25Å; S786-L799 WeakPolarHBondContact CA-O 3.32Å; S786-L825 PolarHBondContact O-N 3.01Å; S786-T826 PolarHBondContact N-OG1 3.31Å; S786-C828 PolarHBondContact N-SG 2.85Å; S786-C828 PolarHBondContact O-SG 3.36Å
787I96.5Very high92.6Very high0 Ų044 Ų440%026%0.255CS..EExtended strand (participates in β ladder)trans-130.8129-172.9-61.4-176.2000108.8L769 I782 I798 L799 F805 V822 R823 C828 L830L769-I787 HydrophobicContact CD1-CD1 3.92Å; I782-I787 HydrophobicContact CD1-CB 4.09Å; I782-I787 HydrophobicContact CD1-CD1 3.68Å; I782-I787 HydrophobicContact CD1-CG1 3.97Å; I782-I787 HydrophobicContact CG1-CD1 3.89Å; I787-I798 CarbonylContact O-C 3.57Å; I787-I798 WeakPolarHBondContact O-CA 3.3Å; I787-L799 PolarHBondContact N-O 2.69Å; I787-L799 PolarHBondContact O-N 3.17Å; I787-F805 HydrophobicContact CD1-CE1 3.93Å; I787-F805 HydrophobicContact CD1-CZ 4.21Å; I787-V822 HydrophobicContact CG2-CG1 3.39Å; I787-R823 CarbonylContact C-O 3.58Å; I787-R823 WeakPolarHBondContact CA-O 3.39Å; I787-R823 WeakPolarHBondContact CG2-O 3.25Å; I787-C828 HydrophobicContact CD1-CB 4.37Å; I787-C828 HydrophobicContact CG1-CB 4.3Å; I787-L830 HydrophobicContact CD1-CD2 4.29Å
788E95.7Very high92.8Very high23 Ų2346.3 Ų46.311%0.10726%0.264CS..EExtended strand (participates in β ladder)trans-91.8148.817159.5171.9-170.600111.3L790 V795 A797 R823 L825E788-L790 HydrophobicContact CG-CD1 3.9Å; E788-L790 HydrophobicContact CG-CG 4.45Å; E788-V795 HydrophobicContact CB-CG1 4.22Å; E788-V795 WeakPolarHBondContact OE2-CG2 3.44Å; E788-A797 WeakPolarHBondContact CA-O 3.46Å; E788-R823 HydrophobicContact CG-CB 3.88Å; E788-R823 WeakPolarHBondContact CG-O 3.34Å; E788-R823 PolarHBondContact N-O 3.09Å; E788-R823 PolarHBondContact O-N 3.28Å; E788-R823 WeakPolarHBondContact OE1-CD 3.49Å; E788-R823 IonicContact OE1-CZ 2.67Å; E788-R823 IonicContact OE1-NE 3.55Å; E788-R823 IonicContact OE1-NH1 3.6Å; E788-R823 PolarHBondContact OE1-NH1 2.95Å; E788-L825 HydrophobicContact CB-CD1 4.2Å; E788-L825 HydrophobicContact CB-CD2 4.17Å; E788-L825 HydrophobicContact CB-CG 4.1Å; E788-L825 HydrophobicContact CG-CD2 3.78Å; E788-L825 HydrophobicContact CG-CG 4.02Å
789I95.1Very high92.9Very high0 Ų046.1 Ų46.10%026%0.262CS..EExtended strand (participates in β ladder)trans-117.7120.9171.6-56.4-178.4000108.1V796 A797 L799 D821 V822 F860 L862I789-V796 PolarHBondContact O-N 3.33Å; I789-A797 HydrophobicContact CB-CB 4.42Å; I789-A797 HydrophobicContact CD1-CB 4.45Å; I789-A797 PolarHBondContact N-O 3.49Å; I789-L799 HydrophobicContact CD1-CD1 3.81Å; I789-L799 HydrophobicContact CD1-CG 4.26Å; I789-D821 CarbonylContact C-O 3.54Å; I789-D821 WeakPolarHBondContact CA-O 3.49Å; I789-V822 HydrophobicContact CG1-CG1 4.49Å; I789-V822 HydrophobicContact CG1-CG2 4.28Å; I789-V822 HydrophobicContact CG2-CG2 4.48Å; I789-F860 HydrophobicContact CD1-CB 3.8Å; I789-F860 HydrophobicContact CD1-CD1 3.46Å; I789-F860 VanDerWaalsContact CD1-CD1 3.46Å; I789-F860 HydrophobicContact CD1-CD2 4.35Å; I789-F860 HydrophobicContact CD1-CE1 4.04Å; I789-F860 HydrophobicContact CD1-CG 3.62Å; I789-F860 HydrophobicContact CG2-CD1 4.33Å; I789-F860 HydrophobicContact CG2-CE1 3.83Å; I789-F860 HydrophobicContact CG2-CZ 4.21Å; I789-L862 HydrophobicContact CD1-CD2 4.17Å; I789-L862 HydrophobicContact CG2-CD2 4.03Å
790L94Very high92.9Very high10 Ų1047.1 Ų47.15%0.05227%0.273CS..EExtended strand (participates in β ladder)trans-110.5141.7-175.9-49.298.1000111.5E788 V794 V795 G820 D821 R823E788-L790 HydrophobicContact CG-CD1 3.9Å; E788-L790 HydrophobicContact CG-CG 4.45Å; L790-V794 CarbonylContact C-O 3.53Å; L790-V794 VanDerWaalsContact CA-O 3.29Å; L790-V794 WeakPolarHBondContact CA-O 3.44Å; L790-V795 HydrophobicContact CD2-CG2 4.16Å; L790-V795 HydrophobicContact CG-CG2 4.36Å; L790-G820 CarbonylContact O-C 3.43Å; L790-G820 WeakPolarHBondContact O-CA 3.34Å; L790-D821 HydrophobicContact CD1-CB 4.39Å; L790-D821 PolarHBondContact N-O 3.21Å; L790-D821 PolarHBondContact O-N 3.12Å; L790-R823 HydrophobicContact CD1-CB 3.9Å; L790-R823 VanDerWaalsContact CD2-NH1 3.34Å
791R90.8Very high92.8Very high88 Ų8853.4 Ų53.433%0.33230%0.3SS..EExtended strand (participates in β ladder)trans-128.6109.6167.6-61.7-172.1-167.6175.80108.7V794 V796 N819 F860R791-V794 PolarHBondContact N-O 3.01Å; R791-V794 WeakPolarHBondContact O-CB 3.33Å; R791-V794 PolarHBondContact O-N 3.03Å; R791-V796 HydrophobicContact CB-CG2 3.86Å; R791-V796 HydrophobicContact CG-CG2 3.69Å; R791-N819 WeakPolarHBondContact CD-OD1 3.37Å; R791-N819 WeakPolarHBondContact CG-O 3.25Å; R791-N819 PolarHBondContact NE-OD1 3.21Å; R791-N819 PolarHBondContact NH1-ND2 2.9Å; R791-N819 PolarHBondContact NH1-OD1 3.19Å; R791-N819 VanDerWaalsContact NH1-OD1 3.16Å; R791-F860 VanDerWaalsContact NH2-CZ 3.27Å
792G84.9Confident92.6Very high75 Ų7557.1 Ų57.177%0.77332%0.32SS*.THydrogen-bonded Turntrans56.851.2-176.400000112.4V794G792-V794 PolarHBondContact O-N 3.24Å
793D84.9Confident92.5Very high142 Ų14258.9 Ų58.976%0.75933%0.33SS*.THydrogen-bonded Turntrans60.3-0.2-174.7-59.4-41.4000116.9
794V92.8Very high92.6Very high97 Ų9758.2 Ų58.259%0.58832%0.324SS*.EExtended strand (participates in β ladder)trans-85.6122.7170-175.80000110.1L790 R791 G792 V796L790-V794 CarbonylContact C-O 3.53Å; L790-V794 VanDerWaalsContact CA-O 3.29Å; L790-V794 WeakPolarHBondContact CA-O 3.44Å; R791-V794 PolarHBondContact N-O 3.01Å; R791-V794 WeakPolarHBondContact O-CB 3.33Å; R791-V794 PolarHBondContact O-N 3.03Å; G792-V794 PolarHBondContact O-N 3.24Å; V794-V796 WeakPolarHBondContact O-CG2 3.22Å; V794-V796 PolarHBondContact O-N 3.19Å
795V92.9Very high92.7Very high67 Ų6750.6 Ų50.641%0.40630%0.295SS..EExtended strand (participates in β ladder)trans-70.2119.7171.3-179.50000109.5E788 L790 I798E788-V795 HydrophobicContact CB-CG1 4.22Å; E788-V795 WeakPolarHBondContact OE2-CG2 3.44Å; L790-V795 HydrophobicContact CD2-CG2 4.16Å; L790-V795 HydrophobicContact CG-CG2 4.36Å; V795-I798 HydrophobicContact CG1-CG1 4.07Å
796V92.5Very high92.6Very high70 Ų7049.7 Ų49.742%0.42429%0.286SS..EExtended strand (participates in β ladder)trans-101.2-32-176.4-174.10000112I789 R791 V794 F860I789-V796 PolarHBondContact O-N 3.33Å; R791-V796 HydrophobicContact CB-CG2 3.86Å; R791-V796 HydrophobicContact CG-CG2 3.69Å; V794-V796 WeakPolarHBondContact O-CG2 3.22Å; V794-V796 PolarHBondContact O-N 3.19Å; V796-F860 HydrophobicContact CB-CZ 4.41Å; V796-F860 HydrophobicContact CG1-CE2 3.95Å; V796-F860 HydrophobicContact CG1-CZ 3.91Å
797A93.3Very high92.3Very high21 Ų2148.4 Ų48.417%0.17428%0.277CS..EExtended strand (participates in β ladder)trans-150.2152.7177.100000111E788 I789 F860E788-A797 WeakPolarHBondContact CA-O 3.46Å; I789-A797 HydrophobicContact CB-CB 4.42Å; I789-A797 HydrophobicContact CD1-CB 4.45Å; I789-A797 PolarHBondContact N-O 3.49Å; A797-F860 HydrophobicContact CB-CD2 3.64Å; A797-F860 HydrophobicContact CB-CE2 3.77Å; A797-F860 HydrophobicContact CB-CG 4.43Å
798I94.9Very high91.7Very high114 Ų11449.5 Ų49.559%0.58528%0.284SS*.EExtended strand (participates in β ladder)trans-121.7125.3166.6-59.4173.1000106.5I787 V795 L825I787-I798 CarbonylContact O-C 3.57Å; I787-I798 WeakPolarHBondContact O-CA 3.3Å; V795-I798 HydrophobicContact CG1-CG1 4.07Å; I798-L825 HydrophobicContact CG2-CD1 4.16Å
799L95.1Very high91.1Very high4 Ų449 Ų492%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-107.6139.5180-57.4-176.8000109.9I782 S786 I787 I789 D803 F805 T859 F860I782-L799 HydrophobicContact CD1-CB 3.47Å; I782-L799 VanDerWaalsContact CD1-CB 3.47Å; I782-L799 HydrophobicContact CD1-CD1 4.3Å; S786-L799 CarbonylContact C-O 3.25Å; S786-L799 VanDerWaalsContact CA-O 3.25Å; S786-L799 WeakPolarHBondContact CA-O 3.32Å; I787-L799 PolarHBondContact N-O 2.69Å; I787-L799 PolarHBondContact O-N 3.17Å; I789-L799 HydrophobicContact CD1-CD1 3.81Å; I789-L799 HydrophobicContact CD1-CG 4.26Å; L799-D803 HydrophobicContact CB-CB 3.98Å; L799-D803 HydrophobicContact CD2-CB 4.3Å; L799-F805 HydrophobicContact CD1-CB 3.67Å; L799-F805 HydrophobicContact CD1-CD1 3.71Å; L799-F805 HydrophobicContact CD1-CG 3.97Å; L799-T859 HydrophobicContact CD2-CG2 3.61Å; L799-F860 HydrophobicContact CD1-CB 4.44Å; L799-F860 HydrophobicContact CD2-CB 4.38Å
800G94.1Very high90.3Very high23 Ų2354.2 Ų54.224%0.23731%0.31CS..  trans-118.5-151.4-177.600000113.2I782 D803I782-G800 VanDerWaalsContact CB-O 3.25Å; I782-G800 WeakPolarHBondContact CB-O 3.49Å; I782-G800 WeakPolarHBondContact CG2-O 3.34Å; G800-D803 PolarHBondContact N-OD2 2.85Å; G800-D803 PolarHBondContact O-N 3.29Å
801K91.8Very high89.5Confident148 Ų14859.6 Ų59.664%0.64334%0.338SS*.THydrogen-bonded Turntrans-72134.1-176.5-60.6175-175165.80111.1D803K801-D803 VanDerWaalsContact C-N 3.25Å; K801-D803 PolarHBondContact O-N 3.13Å
802N88.6Confident89Confident82 Ų8258.5 Ų58.544%0.43933%0.334SS..THydrogen-bonded Turntrans70.85.7-175.7-46.7-42.9000115.5I782I782-N802 VanDerWaalsContact O-CA 3.26Å; I782-N802 WeakPolarHBondContact O-CA 3.45Å; I782-N802 PolarHBondContact O-N 3.21Å
803D93.1Very high88.5Confident40 Ų4060.2 Ų60.221%0.21434%0.341CS..  trans-73.7153.3174.4-80.9-48.1000112.9I782 L799 G800 K801 T859I782-D803 HydrophobicContact CD1-CB 4.32Å; I782-D803 PolarHBondContact N-O 2.88Å; L799-D803 HydrophobicContact CB-CB 3.98Å; L799-D803 HydrophobicContact CD2-CB 4.3Å; G800-D803 PolarHBondContact N-OD2 2.85Å; G800-D803 PolarHBondContact O-N 3.29Å; K801-D803 VanDerWaalsContact C-N 3.25Å; K801-D803 PolarHBondContact O-N 3.13Å; D803-T859 HydrophobicContact CB-CG2 4.5Å; D803-T859 WeakPolarHBondContact OD1-CB 3.45Å; D803-T859 WeakPolarHBondContact OD1-CG2 3.49Å; D803-T859 PolarHBondContact OD1-OG1 3Å
804I93.4Very high88.4Confident10 Ų1063.6 Ų63.65%0.05134%0.343CS..EExtended strand (participates in β ladder)trans-124.7130.8-173.9-52.5-179.5000109.6L779 Y780 F781 L856 I858 T859 F860L779-I804 HydrophobicContact CD2-CG2 3.68Å; L779-I804 HydrophobicContact CG-CG2 4.33Å; Y780-I804 WeakPolarHBondContact O-CA 3.18Å; F781-I804 HydrophobicContact CD1-CD1 3.76Å; F781-I804 HydrophobicContact CD1-CG1 3.71Å; F781-I804 HydrophobicContact CD1-CG2 4.32Å; F781-I804 HydrophobicContact CE1-CD1 3.65Å; F781-I804 HydrophobicContact CE1-CG1 4.08Å; F781-I804 HydrophobicContact CE1-CG2 4.3Å; I804-L856 HydrophobicContact CD1-CD1 4.25Å; I804-I858 HydrophobicContact CG2-CG1 4.35Å; I804-I858 HydrophobicContact CG2-CG2 4.49Å; I804-I858 WeakPolarHBondContact O-CG2 3.49Å; I804-T859 PolarHBondContact N-OG1 3.49Å; I804-T859 PolarHBondContact O-N 3.37Å; I804-F860 PolarHBondContact O-N 3.38Å
805F93.3Very high88Confident0 Ų061.9 Ų61.90%033%0.334CS..EExtended strand (participates in β ladder)trans-138.6150.5177.168.3-91.5000113.4L769 Y780 I782 I787 L799 V822 L862L769-F805 HydrophobicContact CD1-CZ 4.41Å; Y780-F805 HydrophobicContact CD1-CE2 4.43Å; Y780-F805 HydrophobicContact CD1-CZ 4.25Å; Y780-F805 AromaticContact CD2-CD2 3.87Å; Y780-F805 HydrophobicContact CD2-CD2 3.87Å; Y780-F805 AromaticContact CD2-CE2 3.38Å; Y780-F805 HydrophobicContact CD2-CE2 3.38Å; Y780-F805 AromaticContact CD2-CZ 3.99Å; Y780-F805 HydrophobicContact CD2-CZ 3.99Å; Y780-F805 HydrophobicContact CE2-CE2 4.11Å; Y780-F805 HydrophobicContact CG-CD2 4.22Å; Y780-F805 HydrophobicContact CG-CE1 4.35Å; Y780-F805 AromaticContact CG-CE2 3.56Å; Y780-F805 HydrophobicContact CG-CE2 3.56Å; Y780-F805 AromaticContact CG-CZ 3.65Å; Y780-F805 HydrophobicContact CG-CZ 3.65Å; Y780-F805 PolarHBondContact N-O 3.31Å; Y780-F805 PolarHBondContact O-N 3.31Å; I782-F805 HydrophobicContact CD1-CD1 4.12Å; I782-F805 HydrophobicContact CD1-CE1 3.98Å; I782-F805 HydrophobicContact CG1-CD1 4.12Å; I782-F805 HydrophobicContact CG1-CE1 3.77Å; I787-F805 HydrophobicContact CD1-CE1 3.93Å; I787-F805 HydrophobicContact CD1-CZ 4.21Å; L799-F805 HydrophobicContact CD1-CB 3.67Å; L799-F805 HydrophobicContact CD1-CD1 3.71Å; L799-F805 HydrophobicContact CD1-CG 3.97Å; F805-V822 HydrophobicContact CE2-CG1 3.94Å; F805-V822 HydrophobicContact CZ-CG1 4.14Å; F805-L862 HydrophobicContact CD2-CD1 3.81Å
806G91.2Very high87.7Confident0 Ų058.8 Ų58.80%032%0.316CS..EExtended strand (participates in β ladder)trans147.8-138.3-174.900000111.4L862G806-L862 PolarHBondContact O-N 3.4Å
807E88.9Confident87.7Confident3 Ų359.9 Ų59.91%0.01432%0.315CS..  trans-127.4143.5174.9-178.8178-137.300108.6L776 L809 Y812 G816 R835 R863L776-E807 HydrophobicContact CB-CB 4.28Å; L776-E807 HydrophobicContact CD1-CB 3.96Å; E807-L809 VanDerWaalsContact O-CD1 3.24Å; E807-L809 WeakPolarHBondContact O-CD1 3.29Å; E807-L809 PolarHBondContact O-N 2.93Å; E807-Y812 HydrophobicContact CG-CD2 3.85Å; E807-Y812 WeakPolarHBondContact OE1-CD2 3.4Å; E807-G816 WeakPolarHBondContact OE1-CA 3.38Å; E807-G816 PolarHBondContact OE1-N 3.25Å; E807-G816 PolarHBondContact OE2-N 3.38Å; E807-R835 IonicContact OE2-CZ 3.04Å; E807-R835 IonicContact OE2-NH1 2.71Å; E807-R835 PolarHBondContact OE2-NH1 3.41Å; E807-R835 IonicContact OE2-NH2 3.24Å; E807-R835 PolarHBondContact OE2-NH2 3.15Å; E807-R863 VanDerWaalsContact OE1-CD 3.25Å; E807-R863 WeakPolarHBondContact OE1-CD 3.35Å; E807-R863 IonicContact OE1-NE 2.64Å
808P85.5Confident87.6Confident22 Ų2259.1 Ų59.114%0.14331%0.309CS..  trans-73.5105.9168.728.7-32.8000110N810 L811 I858 N861P808-N810 VanDerWaalsContact C-N 3.26Å; P808-N810 PolarHBondContact O-N 3.02Å; P808-L811 HydrophobicContact CB-CD1 4.36Å; P808-L811 HydrophobicContact CB-CG 4.39Å; P808-L811 HydrophobicContact CG-CD1 3.83Å; P808-L811 HydrophobicContact CG-CG 4.25Å; P808-L811 PolarHBondContact O-N 2.68Å; P808-I858 HydrophobicContact CB-CD1 3.85Å; P808-I858 HydrophobicContact CG-CD1 4.47Å; P808-N861 WeakPolarHBondContact CD-ND2 3.45Å
809L83.1Confident87.3Confident12 Ų1255.3 Ų55.36%0.06329%0.29CS..G310 helixtrans-58.1-38.3-174-72.257.7000112.5L779 E807 L811 Y812 R835 L838 L839 W853L779-L809 HydrophobicContact CD1-CD1 4.19Å; E807-L809 VanDerWaalsContact O-CD1 3.24Å; E807-L809 WeakPolarHBondContact O-CD1 3.29Å; E807-L809 PolarHBondContact O-N 2.93Å; L809-L811 PolarHBondContact O-N 3.34Å; L809-L811 VanDerWaalsContact O-N 3.14Å; L809-Y812 CarbonylContact O-C 3.58Å; L809-Y812 PolarHBondContact O-N 2.74Å; L809-R835 HydrophobicContact CD2-CB 4.47Å; L809-R835 HydrophobicContact CD2-CG 3.68Å; L809-R835 HydrophobicContact CG-CG 3.87Å; L809-L838 HydrophobicContact CD2-CB 4.47Å; L809-L838 HydrophobicContact CD2-CD2 3.93Å; L809-L838 HydrophobicContact CD2-CG 4.38Å; L809-L839 HydrophobicContact CD2-CD1 4.43Å; L809-L839 HydrophobicContact CD2-CD2 4.07Å; L809-L839 HydrophobicContact CD2-CG 3.95Å; L809-W853 HydrophobicContact CB-CH2 3.59Å; L809-W853 HydrophobicContact CB-CZ2 3.89Å; L809-W853 HydrophobicContact CB-CZ3 4.45Å; L809-W853 HydrophobicContact CD1-CH2 4.06Å; L809-W853 HydrophobicContact CD2-CH2 4.17Å; L809-W853 HydrophobicContact CD2-CZ2 4.44Å; L809-W853 HydrophobicContact CG-CH2 4.12Å
810N77.7Confident87.1Confident110 Ų11055.2 Ų55.259%0.58829%0.289SS*.G310 helixtrans-64.2-20-173.9-148.322.7000113.7P808 W853P808-N810 VanDerWaalsContact C-N 3.26Å; P808-N810 PolarHBondContact O-N 3.02Å; N810-W853 HydrophobicContact CB-CD2 3.75Å; N810-W853 HydrophobicContact CB-CE3 4.21Å; N810-W853 HydrophobicContact CB-CG 3.93Å; N810-W853 HydrophobicContact CB-CZ2 4.44Å
811L77.2Confident87.1Confident124 Ų12456 Ų5665%0.64929%0.288SS*.G310 helixtrans-87.2-19.4174.9-59.7-175.3000113.1P808 L809P808-L811 HydrophobicContact CB-CD1 4.36Å; P808-L811 HydrophobicContact CB-CG 4.39Å; P808-L811 HydrophobicContact CG-CD1 3.83Å; P808-L811 HydrophobicContact CG-CG 4.25Å; P808-L811 PolarHBondContact O-N 2.68Å; L809-L811 PolarHBondContact O-N 3.34Å; L809-L811 VanDerWaalsContact O-N 3.14Å
812Y79.1Confident87.3Confident64 Ų6449 Ų4925%0.25126%0.257SS..  trans-139.898.1-168-58.8-68000112.1E807 L809 R814 R835E807-Y812 HydrophobicContact CG-CD2 3.85Å; E807-Y812 WeakPolarHBondContact OE1-CD2 3.4Å; L809-Y812 CarbonylContact O-C 3.58Å; L809-Y812 PolarHBondContact O-N 2.74Å; Y812-R814 PolarHBondContact O-N 3.47Å; Y812-R835 PolarHBondContact O-NH2 3.3Å
813A75.9Confident87.5Confident111 Ų11148.2 Ų48.292%0.91725%0.249SC*.SBendtrans-65.82.4174.800000114.9
814R83.1Confident87.6Confident213 Ų21346.4 Ų46.480%0.80424%0.239SC*.SBendtrans-131.8143.9173.6-67.2-175.1179-179.91.1109.3Y812 G816 R835Y812-R814 PolarHBondContact O-N 3.47Å; R814-G816 PolarHBondContact O-N 2.92Å; R814-R835 PolarHBondContact O-NH2 2.88Å
815P84.1Confident87.6Confident61 Ų6149.3 Ų49.340%0.39625%0.254SS..PPolyproline II helixtrans-64.7126.1-179.826.9-34.4000111.3
816G86.8Confident87.6Confident3 Ų351.9 Ų51.93%0.03127%0.27CS..PPolyproline II helixtrans-72.9163176.800000114.3L775 L776 E807 R814 R863L775-G816 WeakPolarHBondContact CA-O 3.27Å; L776-G816 PolarHBondContact N-O 3.36Å; E807-G816 WeakPolarHBondContact OE1-CA 3.38Å; E807-G816 PolarHBondContact OE1-N 3.25Å; E807-G816 PolarHBondContact OE2-N 3.38Å; R814-G816 PolarHBondContact O-N 2.92Å; G816-R863 VanDerWaalsContact CA-CD 3.48Å; G816-R863 VanDerWaalsContact CA-NE 3.35Å
817K91.2Very high87.6Confident92 Ų9258.4 Ų58.440%0.430%0.295SS..BIsolated β-bridgetrans-85.4143.1162.6-69.3-174.3179.7178.30111.4D774 L775 D864 M867D774-K817 CarbonylContact O-C 3.58Å; D774-K817 VanDerWaalsContact O-CA 3.3Å; D774-K817 WeakPolarHBondContact O-CA 3.4Å; L775-K817 HydrophobicContact CD2-CG 4.3Å; K817-D864 PolarHBondContact O-N 3.39Å; K817-M867 HydrophobicContact CD-SD 4.1Å
818S91.9Very high87.7Confident5 Ų558.3 Ų58.34%0.03530%0.295CS..BIsolated β-bridgetrans-66.9146.417058.90000112.7H771 G773 D774 L862H771-S818 PolarHBondContact O-OG 3.23Å; G773-S818 PolarHBondContact N-O 3.24Å; G773-S818 VanDerWaalsContact N-O 3.09Å; G773-S818 PolarHBondContact N-OG 2.99Å; D774-S818 PolarHBondContact N-OG 2.88Å; D774-S818 PolarHBondContact O-N 3.19Å; D774-S818 PolarHBondContact O-OG 3.38Å; S818-L862 CarbonylContact C-O 3.6Å; S818-L862 VanDerWaalsContact CA-O 3.25Å; S818-L862 WeakPolarHBondContact CA-O 3.41Å
819N88.5Confident88Confident35 Ų3559 Ų5919%0.18730%0.298CS..SBendtrans-94.6-13.3-178.1-158.7-39.4000112.1R791 L862 R863 D864R791-N819 WeakPolarHBondContact CD-OD1 3.37Å; R791-N819 WeakPolarHBondContact CG-O 3.25Å; R791-N819 PolarHBondContact NE-OD1 3.21Å; R791-N819 PolarHBondContact NH1-ND2 2.9Å; R791-N819 PolarHBondContact NH1-OD1 3.19Å; R791-N819 VanDerWaalsContact NH1-OD1 3.16Å; N819-L862 VanDerWaalsContact CB-O 3.23Å; N819-L862 WeakPolarHBondContact CB-O 3.29Å; N819-L862 PolarHBondContact N-O 3.43Å; N819-R863 PolarHBondContact ND2-O 3.25Å; N819-D864 HydrophobicContact CB-CB 4.29Å
820G90.6Very high88.5Confident1 Ų158.5 Ų58.51%0.0130%0.295CS..SBendtrans-165.8171.2-175.500000113L790L790-G820 CarbonylContact O-C 3.43Å; L790-G820 WeakPolarHBondContact O-CA 3.34Å
821D94.3Very high89.2Confident40 Ų4053.9 Ų53.921%0.21427%0.27CS..EExtended strand (participates in β ladder)trans-79.3148.3172.6-83.844.1000110.3V770 H771 A772 I789 L790V770-D821 CarbonylContact O-C 3.54Å; V770-D821 VanDerWaalsContact O-CA 3.31Å; V770-D821 WeakPolarHBondContact O-CA 3.41Å; H771-D821 WeakPolarHBondContact CA-OD1 3.45Å; H771-D821 IonicContact CE1-OD2 3.2Å; H771-D821 IonicContact CG-OD2 2.81Å; H771-D821 IonicContact ND1-OD1 3.98Å; H771-D821 IonicContact ND1-OD2 2.7Å; H771-D821 PolarHBondContact ND1-OD2 2.86Å; A772-D821 PolarHBondContact N-OD1 3.25Å; I789-D821 CarbonylContact C-O 3.54Å; I789-D821 WeakPolarHBondContact CA-O 3.49Å; L790-D821 HydrophobicContact CD1-CB 4.39Å; L790-D821 PolarHBondContact N-O 3.21Å; L790-D821 PolarHBondContact O-N 3.12Å
822V95.2Very high90Very high0 Ų050.1 Ų50.10%025%0.248CC..EExtended strand (participates in β ladder)trans-123.8116.5178.8-178.70000108.3T768 L769 V770 I787 I789 F805 L862T768-V822 CarbonylContact C-O 3.54Å; T768-V822 VanDerWaalsContact CA-O 3.3Å; T768-V822 WeakPolarHBondContact CA-O 3.27Å; L769-V822 HydrophobicContact CB-CG1 4.42Å; L769-V822 PolarHBondContact N-O 2.86Å; V770-V822 HydrophobicContact CB-CB 4.16Å; V770-V822 HydrophobicContact CB-CG2 4.03Å; V770-V822 HydrophobicContact CG2-CG2 4.49Å; V770-V822 PolarHBondContact O-N 3.43Å; I787-V822 HydrophobicContact CG2-CG1 3.39Å; I789-V822 HydrophobicContact CG1-CG1 4.49Å; I789-V822 HydrophobicContact CG1-CG2 4.28Å; I789-V822 HydrophobicContact CG2-CG2 4.48Å; F805-V822 HydrophobicContact CE2-CG1 3.94Å; F805-V822 HydrophobicContact CZ-CG1 4.14Å; V822-L862 HydrophobicContact CG2-CD1 3.91Å; V822-L862 HydrophobicContact CG2-CD2 3.74Å
823R94.4Very high90.7Very high67 Ų6747.2 Ų47.225%0.25324%0.237SC..EExtended strand (participates in β ladder)trans-127.2137.2-171.9-164.4-173.3-59.7139.7-6.6111.8G766 D767 T768 I787 E788 L790G766-R823 WeakPolarHBondContact O-CG 3.35Å; D767-R823 WeakPolarHBondContact O-CA 3.36Å; D767-R823 WeakPolarHBondContact O-CG 3.31Å; T768-R823 HydrophobicContact CG2-CB 4.11Å; T768-R823 HydrophobicContact CG2-CG 3.95Å; I787-R823 CarbonylContact C-O 3.58Å; I787-R823 WeakPolarHBondContact CA-O 3.39Å; I787-R823 WeakPolarHBondContact CG2-O 3.25Å; E788-R823 HydrophobicContact CG-CB 3.88Å; E788-R823 WeakPolarHBondContact CG-O 3.34Å; E788-R823 PolarHBondContact N-O 3.09Å; E788-R823 PolarHBondContact O-N 3.28Å; E788-R823 WeakPolarHBondContact OE1-CD 3.49Å; E788-R823 IonicContact OE1-CZ 2.67Å; E788-R823 IonicContact OE1-NE 3.55Å; E788-R823 IonicContact OE1-NH1 3.6Å; E788-R823 PolarHBondContact OE1-NH1 2.95Å; L790-R823 HydrophobicContact CD1-CB 3.9Å; L790-R823 VanDerWaalsContact CD2-NH1 3.34Å
824A95Very high91.6Very high1 Ų144.3 Ų44.31%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-76.213117500000111.2A763 P764 G766 D767 C828A763-A824 HydrophobicContact CB-CB 3.78Å; P764-A824 WeakPolarHBondContact O-CB 3.34Å; G766-A824 PolarHBondContact N-O 2.98Å; D767-A824 PolarHBondContact O-N 3.04Å; A824-C828 HydrophobicContact CB-CB 4.37Å
825L93.6Very high92Very high72 Ų7234.9 Ų34.938%0.37717%0.169SC..SBendtrans-86.7-32.5173.8-68.1173.7000111.8S786 E788 I798S786-L825 PolarHBondContact O-N 3.01Å; E788-L825 HydrophobicContact CB-CD1 4.2Å; E788-L825 HydrophobicContact CB-CD2 4.17Å; E788-L825 HydrophobicContact CB-CG 4.1Å; E788-L825 HydrophobicContact CG-CD2 3.78Å; E788-L825 HydrophobicContact CG-CG 4.02Å; I798-L825 HydrophobicContact CG2-CD1 4.16Å
826T92.9Very high92.4Very high53 Ų5337 Ų3733%0.32518%0.177SC..SBendtrans-124.4-179.4-179.460.10000110.3G785 S786 C828G785-T826 WeakPolarHBondContact CA-OG1 3.4Å; S786-T826 PolarHBondContact N-OG1 3.31Å; T826-C828 PolarHBondContact O-N 3.26Å; T826-C828 PolarHBondContact O-SG 3.41Å; T826-C828 PolarHBondContact OG1-SG 2.94Å; T826-C828 VanDerWaalsContact OG1-SG 3.4Å
827Y90.2Very high92.8Very high137 Ų13738.3 Ų38.354%0.53718%0.183SC..  trans-62.3117.4159.2-64.2-79.6000109.5H703 A763 P764 P765H703-Y827 AromaticContact CD2-CE1 3.61Å; H703-Y827 AromaticContact CE1-CD1 3.67Å; H703-Y827 AromaticContact CE1-CE1 3.89Å; H703-Y827 AromaticContact NE2-CD1 3.4Å; H703-Y827 WeakPolarHBondContact NE2-CD1 3.35Å; H703-Y827 AromaticContact NE2-CE1 3.47Å; H703-Y827 WeakPolarHBondContact NE2-CE1 3.33Å; A763-Y827 WeakPolarHBondContact O-CA 3.48Å; P764-Y827 HydrophobicContact CB-CD1 4.14Å; P764-Y827 HydrophobicContact CB-CE1 3.86Å; P765-Y827 HydrophobicContact CG-CD2 4.19Å; P765-Y827 HydrophobicContact CG-CE2 4.03Å
828C91.9Very high92.9Very high1 Ų134.1 Ų34.11%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-117.3130.8-173.5-67.70000111.4H762 A763 R784 S786 I787 A824 T826 L830H762-C828 WeakPolarHBondContact CA-O 3.49Å; A763-C828 HydrophobicContact CB-CB 4.38Å; A763-C828 PolarHBondContact N-O 3.41Å; A763-C828 PolarHBondContact O-N 3.32Å; R784-C828 VanDerWaalsContact O-CA 3.31Å; R784-C828 WeakPolarHBondContact O-CA 3.36Å; S786-C828 PolarHBondContact N-SG 2.85Å; S786-C828 PolarHBondContact O-SG 3.36Å; I787-C828 HydrophobicContact CD1-CB 4.37Å; I787-C828 HydrophobicContact CG1-CB 4.3Å; A824-C828 HydrophobicContact CB-CB 4.37Å; T826-C828 PolarHBondContact O-N 3.26Å; T826-C828 PolarHBondContact O-SG 3.41Å; T826-C828 PolarHBondContact OG1-SG 2.94Å; T826-C828 VanDerWaalsContact OG1-SG 3.4Å; C828-L830 HydrophobicContact CB-CD2 3.83Å
829D91.5Very high92.9Very high37 Ų3736.9 Ų36.920%0.19818%0.179CC..EExtended strand (participates in β ladder)trans-105.4103.2175.3-58.6-32.5000108.2H762 S783 R784H762-D829 IonicContact CE1-OD1 3.46Å; H762-D829 PolarHBondContact CE1-OD1 3.27Å; H762-D829 IonicContact CG-OD1 2.73Å; H762-D829 IonicContact ND1-OD1 2.72Å; H762-D829 PolarHBondContact ND1-OD1 3.22Å; S783-D829 WeakPolarHBondContact CB-O 3.29Å; S783-D829 PolarHBondContact N-O 2.97Å; S783-D829 WeakPolarHBondContact OG-CB 3.29Å; S783-D829 PolarHBondContact OG-O 3.47Å; R784-D829 HydrophobicContact CB-CB 3.99Å; R784-D829 WeakPolarHBondContact CD-OD2 3.35Å; R784-D829 PolarHBondContact N-O 2.8Å; R784-D829 PolarHBondContact O-N 3.05Å
830L93.1Very high93.2Very high2 Ų240.1 Ų40.11%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-118.4133.3-175.846.9142.9000111.7T761 A763 L769 Y780 F781 I787 C828T761-L830 PolarHBondContact N-O 3.39Å; T761-L830 WeakPolarHBondContact O-CG 3.34Å; T761-L830 PolarHBondContact O-N 2.9Å; T761-L830 VanDerWaalsContact O-O 3.07Å; T761-L830 WeakPolarHBondContact OG1-CD1 3.2Å; T761-L830 WeakPolarHBondContact OG1-CG 3.42Å; T761-L830 PolarHBondContact OG1-O 3.02Å; A763-L830 HydrophobicContact CB-CD2 4Å; L769-L830 HydrophobicContact CD1-CD1 3.67Å; L769-L830 HydrophobicContact CD1-CD2 4.03Å; L769-L830 HydrophobicContact CD2-CD1 3.91Å; L769-L830 HydrophobicContact CG-CD1 4.44Å; Y780-L830 HydrophobicContact CD1-CD1 3.71Å; Y780-L830 HydrophobicContact CE1-CD1 4.05Å; F781-L830 CarbonylContact O-C 3.53Å; F781-L830 WeakPolarHBondContact O-CA 3.41Å; I787-L830 HydrophobicContact CD1-CD2 4.29Å; C828-L830 HydrophobicContact CB-CD2 3.83Å
831H93.4Very high93.3Very high12 Ų1240.3 Ų40.36%0.05619%0.194CC..EExtended strand (participates in β ladder)trans-90.4129.1173.1-55.6-96.8000109L732 N733 S735 L736 F758 Y780 F781L732-H831 PolarHBondContact O-NE2 3.24Å; N733-H831 VanDerWaalsContact CA-NE2 3.35Å; N733-H831 WeakPolarHBondContact CA-NE2 3.27Å; N733-H831 PolarHBondContact OD1-CE1 2.99Å; N733-H831 PolarHBondContact OD1-ND1 3.08Å; N733-H831 PolarHBondContact OD1-NE2 3.12Å; S735-H831 PolarHBondContact OG-NE2 2.99Å; L736-H831 HydrophobicContact CD1-CB 3.68Å; F758-H831 HydrophobicContact CD1-CB 4.06Å; F758-H831 HydrophobicContact CE1-CB 4.37Å; Y780-H831 WeakPolarHBondContact CA-O 3.3Å; F781-H831 HydrophobicContact CB-CB 4.46Å; F781-H831 PolarHBondContact N-O 3.06Å; F781-H831 PolarHBondContact O-N 3.05Å
832K93.4Very high93.2Very high46 Ų4638.6 Ų38.620%0.219%0.185CC..EExtended strand (participates in β ladder)trans-114.2132.7-177.9-178.7179-173.7149.80109.8K759 T761 A778 Y780K759-K832 PolarHBondContact N-O 3Å; K759-K832 PolarHBondContact O-N 3.4Å; T761-K832 HydrophobicContact CG2-CD 4.48Å; A778-K832 HydrophobicContact CB-CD 4.29Å; A778-K832 VanDerWaalsContact CB-CE 3.47Å; A778-K832 HydrophobicContact CB-CG 3.83Å; Y780-K832 HydrophobicContact CD1-CB 3.96Å; Y780-K832 HydrophobicContact CD1-CD 4.44Å; Y780-K832 HydrophobicContact CD1-CG 4Å; Y780-K832 HydrophobicContact CE1-CB 3.95Å; Y780-K832 HydrophobicContact CE1-CD 3.6Å; Y780-K832 HydrophobicContact CE1-CG 3.61Å; Y780-K832 WeakPolarHBondContact OH-CE 3.29Å; Y780-K832 PolarHBondContact OH-NZ 3.05Å
833I94.7Very high93.1Very high2 Ų244.9 Ų44.91%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-126.1137.3166.1-165.4166.3000109.3L754 K757 F758 A778 L779 F781 D837 L838L754-I833 HydrophobicContact CD2-CD1 4.28Å; K757-I833 HydrophobicContact CB-CD1 4.02Å; K757-I833 HydrophobicContact CB-CG1 4.29Å; F758-I833 HydrophobicContact CD1-CB 3.84Å; F758-I833 HydrophobicContact CD2-CD1 4.46Å; F758-I833 HydrophobicContact CE1-CB 3.69Å; F758-I833 HydrophobicContact CE1-CD1 4.44Å; F758-I833 HydrophobicContact CE1-CG2 3.88Å; F758-I833 HydrophobicContact CE2-CD1 4.3Å; F758-I833 HydrophobicContact CZ-CB 4.29Å; F758-I833 HydrophobicContact CZ-CD1 4.28Å; F758-I833 HydrophobicContact CZ-CG2 4.28Å; A778-I833 CarbonylContact C-O 3.58Å; A778-I833 WeakPolarHBondContact CA-O 3.29Å; A778-I833 VanDerWaalsContact CB-O 3.25Å; A778-I833 WeakPolarHBondContact CB-O 3.3Å; L779-I833 HydrophobicContact CB-CG2 4.41Å; L779-I833 PolarHBondContact N-O 2.97Å; L779-I833 PolarHBondContact O-N 2.85Å; L779-I833 VanDerWaalsContact O-N 3.1Å; F781-I833 HydrophobicContact CE2-CG2 4.28Å; I833-D837 HydrophobicContact CG1-CB 4.27Å; I833-L838 HydrophobicContact CD1-CB 3.94Å; I833-L838 HydrophobicContact CD1-CD1 4.04Å; I833-L838 HydrophobicContact CG1-CB 4.08Å; I833-L838 HydrophobicContact CG2-CB 4.39Å; I833-L838 HydrophobicContact CG2-CD2 4.23Å
834H94.3Very high93.1Very high50 Ų5048 Ų4823%0.23124%0.238CC..EExtended strand (participates in β ladder)trans-77.4158.7178.4-64.7-99.7000111.1K759 T777 D836 D837 L838K759-H834 PolarHBondContact NZ-CD2 3.35Å; K759-H834 PolarHBondContact NZ-NE2 2.97Å; T777-H834 WeakPolarHBondContact O-CA 3.45Å; H834-D836 PolarHBondContact O-N 3.4Å; H834-D837 HydrophobicContact CB-CB 4.01Å; H834-D837 WeakPolarHBondContact CB-OD2 3.19Å; H834-D837 IonicContact CD2-OD2 3.82Å; H834-D837 PolarHBondContact CD2-OD2 3.34Å; H834-D837 VanDerWaalsContact CD2-OD2 3.3Å; H834-D837 IonicContact CG-OD2 2.74Å; H834-L838 WeakPolarHBondContact O-CB 3.41Å; H834-L838 PolarHBondContact O-N 3.47Å
835R91.6Very high93.1Very high16 Ų1651.1 Ų51.16%0.0625%0.249CC..Hα-helixtrans-55.7-52.5178.7-166.2-180-148.999.3-6.3111.6L776 T777 E807 L809 Y812 R814 L838 L839L776-R835 PolarHBondContact O-NH1 3.34Å; T777-R835 PolarHBondContact O-N 3.05Å; E807-R835 IonicContact OE2-CZ 3.04Å; E807-R835 IonicContact OE2-NH1 2.71Å; E807-R835 PolarHBondContact OE2-NH1 3.41Å; E807-R835 IonicContact OE2-NH2 3.24Å; E807-R835 PolarHBondContact OE2-NH2 3.15Å; L809-R835 HydrophobicContact CD2-CB 4.47Å; L809-R835 HydrophobicContact CD2-CG 3.68Å; L809-R835 HydrophobicContact CG-CG 3.87Å; Y812-R835 PolarHBondContact O-NH2 3.3Å; R814-R835 PolarHBondContact O-NH2 2.88Å; R835-L838 PolarHBondContact O-N 2.96Å; R835-L839 HydrophobicContact CG-CD1 4.15Å; R835-L839 WeakPolarHBondContact O-CG 3.4Å; R835-L839 PolarHBondContact O-N 3.48Å
836D92.2Very high93Very high104 Ų10451.6 Ų51.656%0.55626%0.257SS*.Hα-helixtrans-70.4-45.2-174.2-37.6-71.4000110.3H834 L838 L839 E840H834-D836 PolarHBondContact O-N 3.4Å; D836-L838 PolarHBondContact O-N 3.44Å; D836-L839 PolarHBondContact O-N 3.36Å; D836-E840 WeakPolarHBondContact O-CG 3.45Å; D836-E840 PolarHBondContact O-N 3.28Å
837D94.7Very high92.9Very high32 Ų3257.6 Ų57.617%0.17128%0.281CS..Hα-helixtrans-54.5-35173.5-78.7-33.1000113.4K757 K759 I833 H834K757-D837 HydrophobicContact CB-CB 4.15Å; K757-D837 HydrophobicContact CD-CB 3.85Å; K757-D837 WeakPolarHBondContact CD-OD1 3.36Å; K757-D837 WeakPolarHBondContact CE-OD1 3.26Å; K757-D837 HydrophobicContact CG-CB 4.24Å; K757-D837 IonicContact NZ-OD1 2.66Å; K757-D837 PolarHBondContact NZ-OD1 2.89Å; K759-D837 IonicContact NZ-OD2 2.71Å; I833-D837 HydrophobicContact CG1-CB 4.27Å; H834-D837 HydrophobicContact CB-CB 4.01Å; H834-D837 WeakPolarHBondContact CB-OD2 3.19Å; H834-D837 IonicContact CD2-OD2 3.82Å; H834-D837 PolarHBondContact CD2-OD2 3.34Å; H834-D837 VanDerWaalsContact CD2-OD2 3.3Å; H834-D837 IonicContact CG-OD2 2.74Å
838L93.1Very high93Very high3 Ų351.6 Ų51.62%0.01626%0.258CS..Hα-helixtrans-80.7-42.3178176.959.1000111.9L754 L809 I833 H834 R835 D836 V841 L842 F852 W853L754-L838 HydrophobicContact CD2-CD1 3.92Å; L809-L838 HydrophobicContact CD2-CB 4.47Å; L809-L838 HydrophobicContact CD2-CD2 3.93Å; L809-L838 HydrophobicContact CD2-CG 4.38Å; I833-L838 HydrophobicContact CD1-CB 3.94Å; I833-L838 HydrophobicContact CD1-CD1 4.04Å; I833-L838 HydrophobicContact CG1-CB 4.08Å; I833-L838 HydrophobicContact CG2-CB 4.39Å; I833-L838 HydrophobicContact CG2-CD2 4.23Å; H834-L838 WeakPolarHBondContact O-CB 3.41Å; H834-L838 PolarHBondContact O-N 3.47Å; R835-L838 PolarHBondContact O-N 2.96Å; D836-L838 PolarHBondContact O-N 3.44Å; L838-V841 PolarHBondContact O-N 3Å; L838-L842 HydrophobicContact CD1-CD1 3.96Å; L838-L842 HydrophobicContact CD1-CG 4.11Å; L838-L842 HydrophobicContact CG-CD1 3.84Å; L838-L842 HydrophobicContact CG-CG 4.42Å; L838-L842 VanDerWaalsContact O-CG 3.31Å; L838-L842 WeakPolarHBondContact O-CG 3.05Å; L838-L842 PolarHBondContact O-N 2.84Å; L838-F852 HydrophobicContact CD1-CE1 4.27Å; L838-F852 HydrophobicContact CD1-CZ 4.08Å; L838-F852 HydrophobicContact CD2-CE1 4.19Å; L838-F852 HydrophobicContact CD2-CZ 4.22Å; L838-W853 HydrophobicContact CD2-CH2 4.34Å
839L92.5Very high93Very high63 Ų6352.6 Ų52.633%0.3327%0.265SS..Hα-helixtrans-62.3-45178.2-70.2170.3000111.6L809 R835 D836 V841 L842 D843L809-L839 HydrophobicContact CD2-CD1 4.43Å; L809-L839 HydrophobicContact CD2-CD2 4.07Å; L809-L839 HydrophobicContact CD2-CG 3.95Å; R835-L839 HydrophobicContact CG-CD1 4.15Å; R835-L839 WeakPolarHBondContact O-CG 3.4Å; R835-L839 PolarHBondContact O-N 3.48Å; D836-L839 PolarHBondContact O-N 3.36Å; L839-V841 PolarHBondContact O-N 3.31Å; L839-V841 VanDerWaalsContact O-N 3.15Å; L839-L842 PolarHBondContact O-N 3.22Å; L839-D843 WeakPolarHBondContact O-CB 3.45Å; L839-D843 PolarHBondContact O-N 2.88Å
840E93.9Very high92.8Very high103 Ų10356.6 Ų56.648%0.48129%0.286SS..Hα-helixtrans-51.6-39.8175.2-76176.1-169.300112.8K757 D836 M844K757-E840 WeakPolarHBondContact CE-OE2 3.35Å; K757-E840 IonicContact NZ-OE2 3.21Å; K757-E840 PolarHBondContact NZ-OE2 2.8Å; D836-E840 WeakPolarHBondContact O-CG 3.45Å; D836-E840 PolarHBondContact O-N 3.28Å; E840-M844 WeakPolarHBondContact O-CG 3.38Å; E840-M844 PolarHBondContact O-N 3.41Å
841V94.4Very high92.7Very high5 Ų560.5 Ų60.53%0.0330%0.304CS..Hα-helixtrans-79.8-31.8-179.6-178.50000111.9A753 L754 K757 L838 L839 M844 Y845A753-V841 HydrophobicContact CB-CG1 3.87Å; A753-V841 HydrophobicContact CB-CG2 4.26Å; L754-V841 HydrophobicContact CD2-CB 4.16Å; L754-V841 HydrophobicContact CD2-CG1 3.77Å; L754-V841 HydrophobicContact CG-CG1 3.87Å; K757-V841 HydrophobicContact CG-CG2 4.01Å; L838-V841 PolarHBondContact O-N 3Å; L839-V841 PolarHBondContact O-N 3.31Å; L839-V841 VanDerWaalsContact O-N 3.15Å; V841-M844 PolarHBondContact O-N 3.14Å; V841-Y845 HydrophobicContact CG1-CD2 4.03Å; V841-Y845 HydrophobicContact CG1-CE2 4.36Å; V841-Y845 WeakPolarHBondContact O-CD2 3.47Å; V841-Y845 PolarHBondContact O-N 3.37Å
842L92.2Very high92.6Very high5 Ų560 Ų603%0.02630%0.302CS..Hα-helixtrans-71.3-38175.2-66.3170.4000111.6L838 L839 M844 Y845 F848 F852 W853L838-L842 HydrophobicContact CD1-CD1 3.96Å; L838-L842 HydrophobicContact CD1-CG 4.11Å; L838-L842 HydrophobicContact CG-CD1 3.84Å; L838-L842 HydrophobicContact CG-CG 4.42Å; L838-L842 VanDerWaalsContact O-CG 3.31Å; L838-L842 WeakPolarHBondContact O-CG 3.05Å; L838-L842 PolarHBondContact O-N 2.84Å; L839-L842 PolarHBondContact O-N 3.22Å; L842-M844 VanDerWaalsContact C-N 3.27Å; L842-M844 PolarHBondContact O-N 3.37Å; L842-Y845 CarbonylContact O-C 3.39Å; L842-Y845 VanDerWaalsContact O-C 3.25Å; L842-Y845 PolarHBondContact O-N 3.37Å; L842-Y845 VanDerWaalsContact O-N 3.12Å; L842-F848 HydrophobicContact CD2-CD1 4.05Å; L842-F848 HydrophobicContact CD2-CE1 4.18Å; L842-F852 HydrophobicContact CD1-CD1 4.14Å; L842-F852 HydrophobicContact CD1-CE1 4.2Å; L842-F852 HydrophobicContact CD2-CB 4.19Å; L842-F852 HydrophobicContact CD2-CD1 3.84Å; L842-F852 HydrophobicContact CD2-CE1 4.42Å; L842-F852 HydrophobicContact CD2-CG 4.04Å; L842-W853 HydrophobicContact CD1-CH2 4.44Å; L842-W853 HydrophobicContact CD1-CZ2 3.46Å; L842-W853 VanDerWaalsContact CD1-CZ2 3.46Å
843D93.4Very high92.4Very high131 Ų13159.9 Ų59.970%0.70130%0.3SS*.Hα-helixtrans-63.2-33.2174-69.6-19.9000111.9L839L839-D843 WeakPolarHBondContact O-CB 3.45Å; L839-D843 PolarHBondContact O-N 2.88Å
844M93.6Very high92.1Very high134 Ų13465 Ų6566%0.6634%0.337SS*.Hα-helixtrans-74.7-20173.9-74.1-173.668.200114.4E840 V841 L842E840-M844 WeakPolarHBondContact O-CG 3.38Å; E840-M844 PolarHBondContact O-N 3.41Å; V841-M844 PolarHBondContact O-N 3.14Å; L842-M844 VanDerWaalsContact C-N 3.27Å; L842-M844 PolarHBondContact O-N 3.37Å
845Y94.4Very high91.9Very high65 Ų6563.8 Ų63.826%0.25533%0.334SS..  trans-133.968.6-174.9-66.2-71.2000111.4C750 A753 V841 L842 E847 F848 S849C750-Y845 HydrophobicContact CB-CD1 4.19Å; C750-Y845 HydrophobicContact CB-CD2 3.71Å; C750-Y845 HydrophobicContact CB-CE1 4.28Å; C750-Y845 HydrophobicContact CB-CE2 3.81Å; C750-Y845 HydrophobicContact CB-CG 3.92Å; A753-Y845 HydrophobicContact CB-CE2 4.23Å; V841-Y845 HydrophobicContact CG1-CD2 4.03Å; V841-Y845 HydrophobicContact CG1-CE2 4.36Å; V841-Y845 WeakPolarHBondContact O-CD2 3.47Å; V841-Y845 PolarHBondContact O-N 3.37Å; L842-Y845 CarbonylContact O-C 3.39Å; L842-Y845 VanDerWaalsContact O-C 3.25Å; L842-Y845 PolarHBondContact O-N 3.37Å; L842-Y845 VanDerWaalsContact O-N 3.12Å; Y845-E847 PolarHBondContact O-N 3.41Å; Y845-F848 WeakPolarHBondContact O-CA 3.3Å; Y845-F848 WeakPolarHBondContact O-CB 3.22Å; Y845-F848 PolarHBondContact O-N 2.91Å; Y845-S849 PolarHBondContact O-N 2.64Å
846P91.6Very high91.8Very high82 Ų8263.9 Ų63.953%0.53234%0.335SS..Hα-helixtrans-60.1-39.3-174.922.7-34000113.6F848 S849P846-F848 PolarHBondContact O-N 3.1Å; P846-F848 VanDerWaalsContact O-N 3.13Å; P846-S849 PolarHBondContact O-N 3.05Å; P846-S849 PolarHBondContact O-OG 3.19Å
847E90.5Very high91.6Very high179 Ų17965 Ų6584%0.83634%0.337SS*.Hα-helixtrans-58.2-27.8174.4-62178170.500113Y845Y845-E847 PolarHBondContact O-N 3.41Å
848F92.7Very high91.4Very high12 Ų1265.2 Ų65.25%0.05334%0.338CS..Hα-helixtrans-87-29.3176.1178.3-108.9000112.5P742 F743 A746 C750 L754 L842 Y845 P846 H851 F852P742-F848 WeakPolarHBondContact O-CE2 3.36Å; P742-F848 WeakPolarHBondContact O-CZ 3.3Å; F743-F848 HydrophobicContact CD1-CZ 4.2Å; A746-F848 HydrophobicContact CB-CD2 3.8Å; A746-F848 HydrophobicContact CB-CE2 3.44Å; A746-F848 VanDerWaalsContact CB-CE2 3.44Å; A746-F848 HydrophobicContact CB-CZ 3.94Å; C750-F848 WeakPolarHBondContact SG-CD1 3.27Å; L754-F848 HydrophobicContact CD1-CE1 3.97Å; L754-F848 HydrophobicContact CD1-CZ 4.32Å; L842-F848 HydrophobicContact CD2-CD1 4.05Å; L842-F848 HydrophobicContact CD2-CE1 4.18Å; Y845-F848 WeakPolarHBondContact O-CA 3.3Å; Y845-F848 WeakPolarHBondContact O-CB 3.22Å; Y845-F848 PolarHBondContact O-N 2.91Å; P846-F848 PolarHBondContact O-N 3.1Å; P846-F848 VanDerWaalsContact O-N 3.13Å; F848-H851 PolarHBondContact O-N 2.89Å; F848-F852 HydrophobicContact CD1-CB 4.29Å; F848-F852 HydrophobicContact CE1-CB 3.89Å; F848-F852 AromaticContact CE1-CD2 3.78Å; F848-F852 HydrophobicContact CE1-CD2 3.78Å; F848-F852 HydrophobicContact CE1-CG 4.06Å; F848-F852 HydrophobicContact CE2-CB 4.42Å; F848-F852 HydrophobicContact CZ-CB 3.97Å; F848-F852 AromaticContact CZ-CD2 3.66Å; F848-F852 HydrophobicContact CZ-CD2 3.66Å; F848-F852 HydrophobicContact CZ-CG 4.21Å; F848-F852 WeakPolarHBondContact O-CB 3.34Å; F848-F852 PolarHBondContact O-N 2.8Å
849S91.5Very high91.3Very high21 Ų2168.4 Ų68.415%0.14736%0.357CS..Hα-helixtrans-69.3-40.2-173.269.90000112.9Y845 P846 F852 W853Y845-S849 PolarHBondContact O-N 2.64Å; P846-S849 PolarHBondContact O-N 3.05Å; P846-S849 PolarHBondContact O-OG 3.19Å; S849-F852 PolarHBondContact O-N 3.33Å; S849-W853 PolarHBondContact O-N 2.84Å
850D88.6Confident91.2Very high121 Ų12166.8 Ų66.865%0.64735%0.348SS*.Hα-helixtrans-62.2-44.4172.6-71.3-30.3000111.6S854D850-S854 WeakPolarHBondContact O-CB 3.4Å; D850-S854 PolarHBondContact O-N 3.05Å
851H90.2Very high91Very high84 Ų8464.9 Ų64.939%0.38934%0.341SS..Hα-helixtrans-63.1-43176-17876.3000111.9F848 S854 S855F848-H851 PolarHBondContact O-N 2.89Å; H851-S854 PolarHBondContact O-N 3.44Å; H851-S855 WeakPolarHBondContact O-CB 3.27Å; H851-S855 PolarHBondContact O-N 2.92Å; H851-S855 PolarHBondContact O-OG 2.98Å
852F92Very high90.7Very high1 Ų164.6 Ų64.60%0.00434%0.339CS..Hα-helixtrans-61.2-51.9179.9178.7-100.3000111.2P742 F743 L838 L842 F848 S849 S854 S855 L856P742-F852 HydrophobicContact CB-CD2 3.81Å; P742-F852 HydrophobicContact CB-CE2 4.21Å; P742-F852 HydrophobicContact CG-CD2 4.49Å; P742-F852 HydrophobicContact CG-CE2 4.42Å; F743-F852 HydrophobicContact CE1-CD2 4.24Å; F743-F852 AromaticContact CE1-CE2 3.66Å; F743-F852 HydrophobicContact CE1-CE2 3.66Å; F743-F852 AromaticContact CZ-CE2 3.82Å; F743-F852 HydrophobicContact CZ-CE2 3.82Å; L838-F852 HydrophobicContact CD1-CE1 4.27Å; L838-F852 HydrophobicContact CD1-CZ 4.08Å; L838-F852 HydrophobicContact CD2-CE1 4.19Å; L838-F852 HydrophobicContact CD2-CZ 4.22Å; L842-F852 HydrophobicContact CD1-CD1 4.14Å; L842-F852 HydrophobicContact CD1-CE1 4.2Å; L842-F852 HydrophobicContact CD2-CB 4.19Å; L842-F852 HydrophobicContact CD2-CD1 3.84Å; L842-F852 HydrophobicContact CD2-CE1 4.42Å; L842-F852 HydrophobicContact CD2-CG 4.04Å; F848-F852 HydrophobicContact CD1-CB 4.29Å; F848-F852 HydrophobicContact CE1-CB 3.89Å; F848-F852 AromaticContact CE1-CD2 3.78Å; F848-F852 HydrophobicContact CE1-CD2 3.78Å; F848-F852 HydrophobicContact CE1-CG 4.06Å; F848-F852 HydrophobicContact CE2-CB 4.42Å; F848-F852 HydrophobicContact CZ-CB 3.97Å; F848-F852 AromaticContact CZ-CD2 3.66Å; F848-F852 HydrophobicContact CZ-CD2 3.66Å; F848-F852 HydrophobicContact CZ-CG 4.21Å; F848-F852 WeakPolarHBondContact O-CB 3.34Å; F848-F852 PolarHBondContact O-N 2.8Å; S849-F852 PolarHBondContact O-N 3.33Å; F852-S854 VanDerWaalsContact C-N 3.34Å; F852-S854 PolarHBondContact O-N 3.37Å; F852-S855 PolarHBondContact O-N 3.22Å; F852-L856 HydrophobicContact CE1-CD1 4.23Å; F852-L856 HydrophobicContact CE2-CD1 4.07Å; F852-L856 HydrophobicContact CZ-CD1 3.72Å; F852-L856 WeakPolarHBondContact O-CB 3.45Å; F852-L856 PolarHBondContact O-N 2.9Å
853W89.2Confident90.2Very high44 Ų4465.9 Ų65.917%0.16734%0.344CS..Hα-helixtrans-68.9-31.1179.3-65.6121.7000113.5L809 N810 L838 L842 S849 S855 L856L809-W853 HydrophobicContact CB-CH2 3.59Å; L809-W853 HydrophobicContact CB-CZ2 3.89Å; L809-W853 HydrophobicContact CB-CZ3 4.45Å; L809-W853 HydrophobicContact CD1-CH2 4.06Å; L809-W853 HydrophobicContact CD2-CH2 4.17Å; L809-W853 HydrophobicContact CD2-CZ2 4.44Å; L809-W853 HydrophobicContact CG-CH2 4.12Å; N810-W853 HydrophobicContact CB-CD2 3.75Å; N810-W853 HydrophobicContact CB-CE3 4.21Å; N810-W853 HydrophobicContact CB-CG 3.93Å; N810-W853 HydrophobicContact CB-CZ2 4.44Å; L838-W853 HydrophobicContact CD2-CH2 4.34Å; L842-W853 HydrophobicContact CD1-CH2 4.44Å; L842-W853 HydrophobicContact CD1-CZ2 3.46Å; L842-W853 VanDerWaalsContact CD1-CZ2 3.46Å; S849-W853 PolarHBondContact O-N 2.84Å; W853-S855 VanDerWaalsContact C-N 3.34Å; W853-L856 HydrophobicContact CE3-CD2 3.9Å; W853-L856 HydrophobicContact CZ3-CD2 3.66Å
854S87.9Confident89.5Confident111 Ų11161.1 Ų61.178%0.77632%0.318SS*.Hα-helixtrans-70-28175.5-173.70000113.3D850 H851 F852D850-S854 WeakPolarHBondContact O-CB 3.4Å; D850-S854 PolarHBondContact O-N 3.05Å; H851-S854 PolarHBondContact O-N 3.44Å; F852-S854 VanDerWaalsContact C-N 3.34Å; F852-S854 PolarHBondContact O-N 3.37Å
855S90.1Very high88.2Confident24 Ų2457.9 Ų57.917%0.16831%0.306CS..Hα-helixtrans-110.6-1.3-175.860.50000115.3P742 H851 F852 W853 E857P742-S855 VanDerWaalsContact CA-OG 3.26Å; P742-S855 WeakPolarHBondContact CA-OG 3.3Å; P742-S855 WeakPolarHBondContact CB-OG 3.46Å; H851-S855 WeakPolarHBondContact O-CB 3.27Å; H851-S855 PolarHBondContact O-N 2.92Å; H851-S855 PolarHBondContact O-OG 2.98Å; F852-S855 PolarHBondContact O-N 3.22Å; W853-S855 VanDerWaalsContact C-N 3.34Å; S855-E857 PolarHBondContact O-N 3.28Å
856L89.2Confident86.3Confident17 Ų1760.8 Ų60.89%0.08933%0.326CS..  trans-89.590176.8179.6112.2000111.5P742 L779 F781 I804 F852 W853 I858P742-L856 HydrophobicContact CB-CB 4.43Å; P742-L856 HydrophobicContact CG-CB 4.42Å; P742-L856 HydrophobicContact CG-CD1 4.24Å; L779-L856 HydrophobicContact CD1-CD2 4.39Å; F781-L856 HydrophobicContact CE1-CD1 4.36Å; F781-L856 HydrophobicContact CZ-CD1 4.35Å; I804-L856 HydrophobicContact CD1-CD1 4.25Å; F852-L856 HydrophobicContact CE1-CD1 4.23Å; F852-L856 HydrophobicContact CE2-CD1 4.07Å; F852-L856 HydrophobicContact CZ-CD1 3.72Å; F852-L856 WeakPolarHBondContact O-CB 3.45Å; F852-L856 PolarHBondContact O-N 2.9Å; W853-L856 HydrophobicContact CE3-CD2 3.9Å; W853-L856 HydrophobicContact CZ3-CD2 3.66Å; L856-I858 HydrophobicContact CD2-CD1 3.82Å; L856-I858 HydrophobicContact CD2-CG1 3.59Å; L856-I858 HydrophobicContact CG-CG1 4.19Å; L856-I858 PolarHBondContact O-N 3.44Å
857E88.6Confident84.4Confident127 Ų12761.9 Ų61.959%0.59333%0.325SS*.  trans-75.6113.5166.6-65.6157.4-167.500109.7K741 S855K741-E857 IonicContact NZ-OE1 2.82Å; K741-E857 PolarHBondContact NZ-OE1 3.4Å; K741-E857 IonicContact NZ-OE2 3.5Å; K741-E857 PolarHBondContact NZ-OE2 2.92Å; S855-E857 PolarHBondContact O-N 3.28Å
858I90.5Very high82.5Confident37 Ų3756.1 Ų56.119%0.1930%0.3CS..  trans-89.9112.1173.5-56.9-178.7000108.7L779 I804 P808 L856 F860L779-I858 HydrophobicContact CD1-CD1 4.14Å; I804-I858 HydrophobicContact CG2-CG1 4.35Å; I804-I858 HydrophobicContact CG2-CG2 4.49Å; I804-I858 WeakPolarHBondContact O-CG2 3.49Å; P808-I858 HydrophobicContact CB-CD1 3.85Å; P808-I858 HydrophobicContact CG-CD1 4.47Å; L856-I858 HydrophobicContact CD2-CD1 3.82Å; L856-I858 HydrophobicContact CD2-CG1 3.59Å; L856-I858 HydrophobicContact CG-CG1 4.19Å; L856-I858 PolarHBondContact O-N 3.44Å; I858-F860 VanDerWaalsContact C-N 3.26Å; I858-F860 WeakPolarHBondContact CG2-O 3.31Å; I858-F860 PolarHBondContact O-N 2.94Å
859T90.5Very high79.7Confident70 Ų7061.8 Ų61.843%0.42934%0.338SS..SBendtrans-56.8-38-178-390000112.6L799 D803 I804L799-T859 HydrophobicContact CD2-CG2 3.61Å; D803-T859 HydrophobicContact CB-CG2 4.5Å; D803-T859 WeakPolarHBondContact OD1-CB 3.45Å; D803-T859 WeakPolarHBondContact OD1-CG2 3.49Å; D803-T859 PolarHBondContact OD1-OG1 3Å; I804-T859 PolarHBondContact N-OG1 3.49Å; I804-T859 PolarHBondContact O-N 3.37Å
860F89.8Confident77.4Confident30 Ų3064.5 Ų64.513%0.13237%0.369CS..EExtended strand (participates in β ladder)trans-141115.1174-159.4-91.2000112.7I789 R791 V796 A797 L799 I804 I858 L862I789-F860 HydrophobicContact CD1-CB 3.8Å; I789-F860 HydrophobicContact CD1-CD1 3.46Å; I789-F860 VanDerWaalsContact CD1-CD1 3.46Å; I789-F860 HydrophobicContact CD1-CD2 4.35Å; I789-F860 HydrophobicContact CD1-CE1 4.04Å; I789-F860 HydrophobicContact CD1-CG 3.62Å; I789-F860 HydrophobicContact CG2-CD1 4.33Å; I789-F860 HydrophobicContact CG2-CE1 3.83Å; I789-F860 HydrophobicContact CG2-CZ 4.21Å; R791-F860 VanDerWaalsContact NH2-CZ 3.27Å; V796-F860 HydrophobicContact CB-CZ 4.41Å; V796-F860 HydrophobicContact CG1-CE2 3.95Å; V796-F860 HydrophobicContact CG1-CZ 3.91Å; A797-F860 HydrophobicContact CB-CD2 3.64Å; A797-F860 HydrophobicContact CB-CE2 3.77Å; A797-F860 HydrophobicContact CB-CG 4.43Å; L799-F860 HydrophobicContact CD1-CB 4.44Å; L799-F860 HydrophobicContact CD2-CB 4.38Å; I804-F860 PolarHBondContact O-N 3.38Å; I858-F860 VanDerWaalsContact C-N 3.26Å; I858-F860 WeakPolarHBondContact CG2-O 3.31Å; I858-F860 PolarHBondContact O-N 2.94Å; F860-L862 HydrophobicContact CD1-CD2 3.91Å; F860-L862 HydrophobicContact CD1-CG 4.28Å; F860-L862 HydrophobicContact CE1-CD2 4.05Å; F860-L862 PolarHBondContact O-N 2.85Å
861N89.9Confident74.8Confident62 Ų6260.4 Ų60.433%0.33235%0.35SS..EExtended strand (participates in β ladder)trans-77.4113170.5-173.1-9.1000109.4P808 R863P808-N861 WeakPolarHBondContact CD-ND2 3.45Å; N861-R863 PolarHBondContact O-N 2.69Å; N861-R863 WeakPolarHBondContact OD1-CB 3.36Å; N861-R863 PolarHBondContact OD1-N 3.03Å
862L87.5Confident72.1Confident0 Ų062 Ų620%037%0.367CS..  trans-77-3.3-179.3-77172.1000113.4L776 I789 F805 G806 S818 N819 V822 F860 D864L776-L862 HydrophobicContact CD1-CB 3.75Å; L776-L862 HydrophobicContact CD2-CB 3.89Å; L776-L862 HydrophobicContact CD2-CD1 3.95Å; I789-L862 HydrophobicContact CD1-CD2 4.17Å; I789-L862 HydrophobicContact CG2-CD2 4.03Å; F805-L862 HydrophobicContact CD2-CD1 3.81Å; G806-L862 PolarHBondContact O-N 3.4Å; S818-L862 CarbonylContact C-O 3.6Å; S818-L862 VanDerWaalsContact CA-O 3.25Å; S818-L862 WeakPolarHBondContact CA-O 3.41Å; N819-L862 VanDerWaalsContact CB-O 3.23Å; N819-L862 WeakPolarHBondContact CB-O 3.29Å; N819-L862 PolarHBondContact N-O 3.43Å; V822-L862 HydrophobicContact CG2-CD1 3.91Å; V822-L862 HydrophobicContact CG2-CD2 3.74Å; F860-L862 HydrophobicContact CD1-CD2 3.91Å; F860-L862 HydrophobicContact CD1-CG 4.28Å; F860-L862 HydrophobicContact CE1-CD2 4.05Å; F860-L862 PolarHBondContact O-N 2.85Å; L862-D864 PolarHBondContact O-N 2.94Å
863R83.2Confident69.5Low32 Ų3264.7 Ų64.712%0.12140%0.395CS..BIsolated β-bridgetrans-65.3133.7-175.3-173.961.5177.590.217.9113E807 G816 N819 N861 T865E807-R863 VanDerWaalsContact OE1-CD 3.25Å; E807-R863 WeakPolarHBondContact OE1-CD 3.35Å; E807-R863 IonicContact OE1-NE 2.64Å; G816-R863 VanDerWaalsContact CA-CD 3.48Å; G816-R863 VanDerWaalsContact CA-NE 3.35Å; N819-R863 PolarHBondContact ND2-O 3.25Å; N861-R863 PolarHBondContact O-N 2.69Å; N861-R863 WeakPolarHBondContact OD1-CB 3.36Å; N861-R863 PolarHBondContact OD1-N 3.03Å; R863-T865 PolarHBondContact O-N 2.8Å
864D78Confident67.1Low30 Ų3066.3 Ų66.316%0.1641%0.414CS..  trans-75.4104162.9178.423.2000112.1K817 N819 L862 N866 M867K817-D864 PolarHBondContact O-N 3.39Å; N819-D864 HydrophobicContact CB-CB 4.29Å; L862-D864 PolarHBondContact O-N 2.94Å; D864-N866 PolarHBondContact O-N 2.8Å; D864-N866 VanDerWaalsContact OD1-CB 3.29Å; D864-N866 WeakPolarHBondContact OD1-CB 3.47Å; D864-N866 PolarHBondContact OD1-N 2.97Å; D864-M867 WeakPolarHBondContact OD2-CG 3.32Å
865T66Low64.7Low67 Ų6766.6 Ų66.641%0.41141%0.411SS..G310 helixtrans-66.4-19.817746.30000113.8R863 M867 I868R863-T865 PolarHBondContact O-N 2.8Å; T865-M867 PolarHBondContact O-N 3.08Å; T865-I868 HydrophobicContact CG2-CD1 4.47Å; T865-I868 WeakPolarHBondContact O-CG1 3.47Å; T865-I868 PolarHBondContact O-N 3.03Å
866N54.1Low62.1Low125 Ų12573.5 Ų73.567%0.66844%0.44SS*.G310 helixtrans-74.8-10.2-176.1-58.9-18.6000112.6D864D864-N866 PolarHBondContact O-N 2.8Å; D864-N866 VanDerWaalsContact OD1-CB 3.29Å; D864-N866 WeakPolarHBondContact OD1-CB 3.47Å; D864-N866 PolarHBondContact OD1-N 2.97Å
867M52Low59.8Low106 Ų10680.4 Ų80.452%0.52248%0.476SS..G310 helixtrans-98.222.2172-60.5-140.279.500113.9K817 D864 T865K817-M867 HydrophobicContact CD-SD 4.1Å; D864-M867 WeakPolarHBondContact OD2-CG 3.32Å; T865-M867 PolarHBondContact O-N 3.08Å
868I50.6Low57.2Low58 Ų5884 Ų8430%0.29749%0.493SS..SBendtrans-92.3116171-60.6172.2000109T865 G870 S871T865-I868 HydrophobicContact CG2-CD1 4.47Å; T865-I868 WeakPolarHBondContact O-CG1 3.47Å; T865-I868 PolarHBondContact O-N 3.03Å; I868-G870 PolarHBondContact O-N 2.89Å; I868-S871 WeakPolarHBondContact O-CB 3.27Å; I868-S871 PolarHBondContact O-N 2.76Å; I868-S871 VanDerWaalsContact O-N 3.12Å
869P34.7Very low54.2Low131 Ų13185.7 Ų85.785%0.85152%0.52SS*.THydrogen-bonded Turntrans-61.5122.1174-19.732.4000110.3
870G41.8Very low51.3Low77 Ų7785 Ų8579%0.79453%0.527SS*.THydrogen-bonded Turntrans96.73.3-175.700000115.4I868I868-G870 PolarHBondContact O-N 2.89Å
871S34.4Very low48.6Very low36 Ų3693.5 Ų93.525%0.25256%0.564SS.*  trans-71.9126.5169.6-173.70000110.6I868 G873 S874I868-S871 WeakPolarHBondContact O-CB 3.27Å; I868-S871 PolarHBondContact O-N 2.76Å; I868-S871 VanDerWaalsContact O-N 3.12Å; S871-G873 PolarHBondContact O-N 3.47Å; S871-S874 PolarHBondContact O-N 3.48Å; S871-S874 PolarHBondContact O-OG 3.45Å
872P34.8Very low45.9Very low117 Ų11795.5 Ų95.576%0.7658%0.583SS**THydrogen-bonded Turntrans-71.52.5-167.227.9-35.8000115.7
873G37.1Very low43.2Very low57 Ų57107.8 Ų107.859%0.58863%0.63SS**THydrogen-bonded Turntrans-87.9-3.6171.800000115S871S871-G873 PolarHBondContact O-N 3.47Å
874S38.1Very low40.7Very low79 Ų79114.5 Ų114.555%0.55266%0.662SS**SBendtrans-87.7-6.4-168.755.80000115.9S871S871-S874 PolarHBondContact O-N 3.48Å; S871-S874 PolarHBondContact O-OG 3.45Å
875T37.5Very low38.6Very low116 Ų116124.9 Ų124.971%0.71270%0.699SS**SBendtrans-109.3-9.6-170.435.80000115.8
876E36.3Very low37Very low170 Ų170132.1 Ų132.179%0.79473%0.725SS**SBendtrans-1113.8-170.4-60.2-163.1140.200115.2
877L40.1Very low35.9Very low162 Ų162137.9 Ų137.985%0.84874%0.737SS**SBendtrans-112.41.8-179.1-69.4176.3000115.6G879L877-G879 PolarHBondContact O-N 3.34Å; L877-G879 VanDerWaalsContact O-N 3.1Å
878E33.1Very low35Very low201 Ų201141.6 Ų141.694%0.93975%0.751SS**  trans-80.634.2161.7-67-152.4118.200112
879G29.5Very low34.1Very low73 Ų73147.6 Ų147.675%0.75378%0.782SS**SBendtrans-94.418.8-173.600000115.7L877L877-G879 PolarHBondContact O-N 3.34Å; L877-G879 VanDerWaalsContact O-N 3.1Å
880G29.7Very low34Very low57 Ų57145.8 Ų145.859%0.58877%0.773SS**  trans92122.2172.200000116.1
881F32.6Very low33.5Very low208 Ų208152.2 Ų152.291%0.91278%0.779SS**  -163.3154.1120.2-98.4-67.1000109.9
882S33.2Very low33.4Very low104 Ų104162.2 Ų162.273%0.72781%0.811SS**  trans50.374.2167.154.20000118.5Q884S882-Q884 PolarHBondContact O-N 3.31Å
883R30.1Very low33.3Very low258 Ų258167.1 Ų167.197%0.97482%0.815SS**  trans-61.375.2149.4-80.9178.9162.3-178.4-2.3110.4
884Q31.9Very low33.1Very low173 Ų173176.2 Ų176.281%0.80883%0.831SS**  trans-155.245.8-176.7-127.2172.533.300119.7S882S882-Q884 PolarHBondContact O-N 3.31Å
885R32.3Very low33Very low248 Ų248178.7 Ų178.794%0.93684%0.843SS**  trans-167.865.9144.5-110.5167.9-170.8-153.53115.5R887R885-R887 PolarHBondContact O-N 2.83Å
886K32.5Very low32.7Very low219 Ų219180.5 Ų180.595%0.95285%0.849SS**  trans-76.4107.3154.8-91.3-176.2175.7175.20109.1
887R32.5Very low32.8Very low246 Ų246181.5 Ų181.593%0.92885%0.85SS**  trans-139.3129.7157.2-127.2175.9-176.2175.70.6110.5R885R885-R887 PolarHBondContact O-N 2.83Å
888K32.4Very low32.5Very low183 Ų183181.1 Ų181.180%0.79685%0.849SS**  trans-71.3146.2-176.1-59.4171.1177.1175.30110.7
889L31.5Very low32.7Very low185 Ų185177.4 Ų177.497%0.96984%0.841SS**  trans-125.583.1142-78.9178.4000109.1
890S33.6Very low32.9Very low92 Ų92181.3 Ų181.364%0.64384%0.839SS**  trans-84.3140.7163.951.10000109.5R892S890-R892 PolarHBondContact O-N 3.49Å
891F30.2Very low33.2Very low212 Ų212186.3 Ų186.393%0.9385%0.847SS**  trans-29.6126.5171.8-86.1-108.1000114.7
892R32.8Very low33.4Very low247 Ų247182.1 Ų182.193%0.93284%0.841SS**  trans-152.7129.8133.6-123.7176.8-173-171.70.8114.9S890S890-R892 PolarHBondContact O-N 3.49Å
893R32.5Very low33.5Very low220 Ų220180.6 Ų180.683%0.8384%0.842SS**  trans-6.5126.9155.6-177.6176.8-68.5174-3.5117.3T895R893-T895 PolarHBondContact O-N 3.39Å
894R31.9Very low33.8Very low247 Ų247176.7 Ų176.793%0.93284%0.835SS**  trans-47.9116.2158.8-173.6-174.2-160163.35.1112.1
895T36.1Very low34Very low132 Ų132174 Ų17481%0.8183%0.83SS**  trans-140.1155.6157.3-35.90000107R893R893-T895 PolarHBondContact O-N 3.39Å
896D32.7Very low34.2Very low153 Ų153167.4 Ų167.482%0.81882%0.822SS**  trans-91.9170.5-159.2-134.9-50.4000115.8
897K36.8Very low34.3Very low191 Ų191161.2 Ų161.283%0.8381%0.812SS**  trans74.7119.1171.3-62.5-172.7173.8-173.40120.2
898D35.4Very low34.4Very low154 Ų154158 Ų15882%0.82481%0.812SS**  trans-77.6157.7152.8-59.1-77000112.4
899T35.8Very low34.5Very low124 Ų124152.3 Ų152.376%0.76181%0.805SS**  trans156.2102.3131-60.10000112.5
900E34.9Very low35.1Very low154 Ų154150 Ų15072%0.7280%0.801SS**  trans69.2118.7145.3-64.1-162.1102.900126.5
901Q36.3Very low35.1Very low162 Ų162149.3 Ų149.376%0.75781%0.809SS**  trans74.9175.9133.4-55.4-16449.800120.4
902P36.9Very low35.3Very low120 Ų120151 Ų15178%0.77981%0.809SS**  -137.3174.2-90.541.8-22.5000118.6
903G35.1Very low35.3Very low73 Ų73144.3 Ų144.375%0.75381%0.806SS**  trans111.6176.416600000116.8
904E35.2Very low35.5Very low175 Ų175137.4 Ų137.482%0.81880%0.804SS**  cis-165.8128.2-30.4-92.7-135.879.900108.5
905V36.2Very low35.6Very low116 Ų116131 Ų13170%0.70380%0.804SS**  92.1134.390.5169.80000117.4
906S36.1Very low35.6Very low110 Ų110128.5 Ų128.577%0.76980%0.803SS**  trans68.9135.9172.5-71.30000118.7
907A35.2Very low36.1Very low90 Ų90127 Ų12774%0.74480%0.802SS**  cis89.7147.443.400000112.6
908L35.2Very low36Very low179 Ų179123.6 Ų123.694%0.93780%0.802SS**  cis-161.1159.67.5-162.5130.1000110.1
909G35.2Very low36.1Very low63 Ų63120.7 Ų120.765%0.64979%0.794SS**  trans136.3157.2156.500000119.1
910P42.5Very low36Very low136 Ų136126.7 Ų126.788%0.88380%0.803SS**  trans-141.3158.7-152.840-19.8000120.4
911G33.7Very low36Very low78 Ų78123 Ų12380%0.80481%0.806SS**  122.2153.8128.300000122.3
912R35.2Very low36Very low248 Ų248127.2 Ų127.294%0.93682%0.815SS**  trans100.794.2144.5-148175.9-161-172.75.3122.5
913A33.2Very low36.1Very low106 Ų106127.8 Ų127.888%0.87682%0.819SS**  trans62.2146.6131.400000124.6
914G36Very low36.2Very low75 Ų75128.2 Ų128.277%0.77382%0.823SS**  trans123.9112.617300000111.8
915A33.4Very low36.1Very low113 Ų113123.3 Ų123.393%0.93482%0.82SS**  cis89.310724.900000115.3
916G36.3Very low36.2Very low78 Ų78123 Ų12380%0.80482%0.821SS**  trans160130.9176.600000113.9
917P44.3Very low36.1Very low121 Ų121128.8 Ų128.879%0.78683%0.826SS**  trans-129.5-176.6-17043.9-31.6000117.3
918S33.9Very low36.1Very low120 Ų120127.9 Ų127.984%0.83983%0.825SS**  trans80.1160.8165.884.30000116.9
919S37.4Very low36Very low94 Ų94127 Ų12766%0.65782%0.816SS**  cis-155.3162.813.178.30000114.4
920R34.1Very low35.8Very low249 Ų249129.4 Ų129.494%0.9482%0.823SS**  trans43.5144.3149.4-65.4171.1172.7170.6-2.9120.3
921G35.2Very low35.6Very low77 Ų77128.5 Ų128.579%0.79482%0.817SS**  cis-174.9170.81.600000107.9
922R35.1Very low35.4Very low250 Ų250130.4 Ų130.494%0.94382%0.819SS**  -16815052.2-171.6-178.5-168.2-170.24109.3
923P39.7Very low35.4Very low132 Ų132124 Ų12486%0.85781%0.812SS**  trans-115.6172.8-166.542.1-34.9000116.7
924G36.6Very low35.4Very low82 Ų82122.1 Ų122.185%0.84580%0.803SS**  trans143.3128.2160.600000113.6
925G34.7Very low35.6Very low72 Ų72124.4 Ų124.474%0.74280%0.804SS**  cis-168.1153.2-7.900000112.1
926P37.6Very low35.7Very low111 Ų111124 Ų12472%0.72179%0.794SS**  trans-105.9-140.2-178.242.6-35.7000112.6
927W34Very low35.6Very low230 Ų230125.7 Ų125.787%0.87179%0.794SS**  trans75.5129.9-176.8-45.395.1000114
928G34.3Very low35.5Very low72 Ų72124.8 Ų124.874%0.74279%0.788SS**  cis-159.3-166.9-6.700000108.5
929E33.5Very low35.6Very low160 Ų160127.7 Ų127.775%0.74879%0.788SS**  cis-164.9116.8-9.2-125.1175.7-171.500110.3
930S32Very low35.7Very low113 Ų113128.4 Ų128.479%0.7979%0.793SS**  trans58.3179.8138.8-40.30000118.9
931P37.5Very low36Very low117 Ų117120.9 Ų120.976%0.7678%0.778SS**  trans-136.5-165.7-134.436.3-10.1000116.9
932S30.1Very low36Very low119 Ų119126.2 Ų126.283%0.83278%0.783SS**  trans72.6155.6175.680.90000115.2
933S35.6Very low36.2Very low114 Ų114122 Ų12280%0.79778%0.779SS**  cis-149.2167.2951.80000111.6
934G32Very low36Very low66 Ų66124.3 Ų124.368%0.6878%0.778SS**  trans-95.5-156.4166.100000112
935P41.6Very low35.9Very low122 Ų122123.9 Ų123.979%0.79277%0.774SS**  cis-139.4-145.32.743.7-23.2000113.7
936S34.5Very low36Very low104 Ų104126.5 Ų126.573%0.72778%0.778SS**  trans77.2130.3177.165.40000117.1
937S33.8Very low35.8Very low115 Ų115125 Ų12580%0.80478%0.783SS**  cis9315527.6-570000113.6
938P43.2Very low35.8Very low102 Ų102125.6 Ų125.666%0.66279%0.785SS**  cis-139.8-159.712.243.3-22.6000116.3
939E35.4Very low35.7Very low181 Ų181127.1 Ų127.185%0.84678%0.784SS**  trans68.7137158.6-68.3162.714700119.3
940S38.7Very low35.7Very low109 Ų109124.8 Ų124.876%0.76279%0.786SS**  cis-162.9177.8-10.962.70000107.2
941S40Very low35.6Very low90 Ų90124.8 Ų124.863%0.62979%0.786SS**  cis-154.3148.9-1.823.90000107.4
942E37.2Very low35.6Very low190 Ų190124.3 Ų124.389%0.88878%0.783SS**  55.1130.3100.8-47.8176.9136.500115
943D38.1Very low35.7Very low162 Ų162126.1 Ų126.187%0.86678%0.782SS**  cis-146175.141.2-164.66000114.1
944E35.4Very low35.5Very low179 Ų179131 Ų13184%0.83678%0.783SS**  trans-98.2172.2-169.6-72.2-152.7101.500117
945G34.9Very low35.5Very low74 Ų74134.7 Ų134.776%0.76379%0.787SS**  trans159.283.9158.600000117.7
946P36.2Very low35.4Very low127 Ų127135 Ų13583%0.82579%0.786SS**  trans-92.1135.9-177.934-33.3000115.1
947G34.1Very low35.3Very low80 Ų80135.2 Ų135.283%0.82579%0.785SS**  trans-135129.617700000113.8
948R34.2Very low35.3Very low241 Ų241139.5 Ų139.591%0.90979%0.789SS**  trans-91.6133.1-167.9-71.8176.9168.3169.7-4.4115.6
949S30.9Very low34.7Very low104 Ų104139.8 Ų139.873%0.72779%0.794SS**  trans69.1159.5133.368.80000122.3
950S34.9Very low34.7Very low112 Ų112136.5 Ų136.578%0.78379%0.791SS**  trans9189.3160.4-47.80000118.9
951S28.4Very low34.7Very low113 Ų113137.6 Ų137.679%0.7980%0.796SS**  trans-52.7171.2144.1-31.60000111.6
952P37.3Very low34.3Very low107 Ų107144 Ų14470%0.69581%0.806SS**  cis-150.1175.123.344.1-23.6000119.8
953L33.2Very low34.7Very low157 Ų157140.3 Ų140.382%0.82280%0.799SS**  trans73130.4146.7-78.5162.1000123.2
954R31.5Very low34.8Very low216 Ų216139 Ų13982%0.81580%0.799SS**  trans96.2123139.6-92.3-175.1169.1168.6-2.5122.3
955L32.9Very low35Very low143 Ų143134.2 Ų134.275%0.74980%0.798SS**  trans82.8117.9140.5-68.5161.7000121.2
956V37.8Very low34.9Very low129 Ų129139.6 Ų139.678%0.78280%0.803SS**  trans82.1146.6131.51650000116.1
957P33.9Very low35.1Very low108 Ų108139.7 Ų139.770%0.70180%0.804SS**  -121.7-176-117.343.9-36.8000114.9
958F33Very low35.2Very low205 Ų205141.8 Ų141.890%0.89980%0.803SS**  trans-129.6154173.7-96.2-88.5000114.5
959S31Very low35.2Very low109 Ų109134.4 Ų134.476%0.76280%0.802SS**  trans-147.6178.8178-70.40000109
960S34.6Very low35.3Very low111 Ų111133.1 Ų133.178%0.77681%0.805SS**  trans74.8160.1-174.4-121.10000113.3
961P38.9Very low35Very low133 Ų133136.9 Ų136.986%0.86481%0.81SS**  cis-104.9161.730.76.815.4000116.3
962R31.4Very low35.3Very low223 Ų223136.5 Ų136.584%0.84281%0.805SS**  trans-127.8138168.4-173.5-168.4-170.9-164.73.9109.1
963P45.9Very low34.9Very low114 Ų114139.2 Ų139.274%0.7481%0.813SS**  trans-78.5159.4173.732-34.4000112.8
964P39.8Very low34.9Very low133 Ų133140.7 Ų140.786%0.86482%0.818SS**  trans-100.7165.3-167.339.1-36.5000115.3
965G39.8Very low34.9Very low80 Ų80139.2 Ų139.283%0.82582%0.82SS**  trans158.7101.8166.500000115
966E34Very low34.7Very low186 Ų186140.4 Ų140.487%0.86983%0.828SS**  trans-107153.7163.1-71.2-172.8126.500108.7
967P39.6Very low34.2Very low129 Ų129139.7 Ų139.784%0.83883%0.827SS**  -139.4173.178.427-4.5000115.1
968P37.1Very low34Very low124 Ų124143.6 Ų143.681%0.80584%0.836SS**  trans-107.1163.3-165.239.9-35.5000116.4
969G34Very low33.9Very low86 Ų86142.8 Ų142.889%0.88783%0.832SS**  trans119.7118153.600000116
970G32.8Very low33.7Very low78 Ų78143.6 Ų143.680%0.80484%0.838SS**  trans140.6100.5168.700000115.3
971E28.7Very low33.4Very low190 Ų190142.7 Ų142.789%0.88883%0.831SS**  trans-73.9166.3148.9-64-173.7118.500108.9
972P33.4Very low32.9Very low106 Ų106143.1 Ų143.169%0.68883%0.827SS**  cis-141.6-171.917.244.5-25.7000116.2
973L29.3Very low32.9Very low164 Ų164139.1 Ų139.186%0.85983%0.827SS**  trans47.6109.8149.1-70.1160.5000119.3
974M33.1Very low32.2Very low188 Ų188138.8 Ų138.893%0.92683%0.826SS**  trans-133.5152.6150.2-81-162.872.100110.7
975E32.7Very low31.9Very low184 Ų184138 Ų13886%0.8682%0.815SS**  trans-76.5151.3-170-65.2158.397.500114.1C977E975-C977 PolarHBondContact O-N 2.94Å
976D27.7Very low31.5Very low169 Ų169139.6 Ų139.690%0.90481%0.811SS**  trans-64.2116.8174.6-78.5-60.1000112.1
977C28.2Very low31.4Very low113 Ų113135.9 Ų135.976%0.76480%0.796SS**  trans-108.291.9169.2-173.40000109.5E975 K979E975-C977 PolarHBondContact O-N 2.94Å; C977-K979 PolarHBondContact O-N 3.39Å
978E28.9Very low31.2Very low190 Ų190133.8 Ų133.889%0.88879%0.785SS**  trans-5899.4-178.7-71.9-168.6106.400112.4S980E978-S980 PolarHBondContact O-N 3.42Å
979K31.7Very low31Very low188 Ų188130.4 Ų130.482%0.81777%0.772SS**  trans-77.1106.1168.9-81.1179.3177.7169.50109.7C977 S981C977-K979 PolarHBondContact O-N 3.39Å; K979-S981 PolarHBondContact O-N 3.02Å
980S26.2Very low31.1Very low127 Ų127129.4 Ų129.489%0.88876%0.756SS**  trans-54.391.1174163.10000113.2E978E978-S980 PolarHBondContact O-N 3.42Å
981S28.5Very low31.1Very low92 Ų92131.8 Ų131.864%0.64374%0.744SS**  trans-125158.2158.6530000110.6K979K979-S981 PolarHBondContact O-N 3.02Å
982D29.1Very low31.3Very low142 Ų142125.6 Ų125.676%0.75972%0.721SS**  trans59.583.9171.1-56.7-29.6000117.5
983T31.2Very low31.3Very low138 Ų138122.4 Ų122.485%0.84771%0.708SS**  trans-12266.1155.5-45.90000110.2N985T983-N985 PolarHBondContact O-N 3.43Å
984C29.9Very low31.5Very low108 Ų108118.6 Ų118.673%0.7369%0.691SS**  trans-78.9116.8179-75.30000112.9
985N34.7Very low31.5Very low117 Ų117113.5 Ų113.563%0.62667%0.674SS**  trans37.673.6148-64.5-9.1000118.5T983 L987 S988T983-N985 PolarHBondContact O-N 3.43Å; N985-L987 PolarHBondContact O-N 2.86Å; N985-S988 PolarHBondContact O-N 3.38Å
986P31.8Very low31.7Very low113 Ų113109.1 Ų109.173%0.73466%0.657SS**Hα-helixtrans-63.3-4.4166.527.9-35.6000114
987L31.8Very low32Very low108 Ų108106.1 Ų106.157%0.56564%0.639SS**Hα-helixtrans-95.8-9.2-178.7-67.9174.1000114.8N985N985-L987 PolarHBondContact O-N 2.86Å
988S34Very low32.4Very low85 Ų85106.8 Ų106.859%0.59463%0.629SS**Hα-helixtrans-82.4-33.8173.2-64.90000112.3N985N985-S988 PolarHBondContact O-N 3.38Å
989G34.1Very low32.8Very low53 Ų53100.4 Ų100.455%0.54661%0.606SS.*Hα-helixtrans-68.7-37.1175.800000113.5F991 S992 G993G989-F991 VanDerWaalsContact C-N 3.26Å; G989-F991 PolarHBondContact O-N 2.97Å; G989-S992 PolarHBondContact O-N 3.19Å; G989-S992 VanDerWaalsContact O-N 3.1Å; G989-G993 PolarHBondContact O-N 3.3Å
990A35.2Very low32.9Very low65 Ų6598.7 Ų98.754%0.53760%0.599SS.*Hα-helixtrans-61.4-27.3-174.600000114.6
991F32.6Very low33.2Very low128 Ų128103.3 Ų103.356%0.56160%0.597SS**Hα-helixtrans-91.5-24.3175.7-72.4-75.7000113.5G989 G993 V994G989-F991 VanDerWaalsContact C-N 3.26Å; G989-F991 PolarHBondContact O-N 2.97Å; F991-G993 VanDerWaalsContact C-N 3.26Å; F991-G993 PolarHBondContact O-N 3.11Å; F991-V994 PolarHBondContact O-N 3.33Å
992S33.7Very low33.5Very low59 Ų59101.2 Ų101.241%0.41359%0.59SS.*Hα-helixtrans-65-30.7171.5-178.40000112.1G989 V994 S995 N996G989-S992 PolarHBondContact O-N 3.19Å; G989-S992 VanDerWaalsContact O-N 3.1Å; S992-V994 VanDerWaalsContact C-N 3.27Å; S992-V994 PolarHBondContact O-N 2.96Å; S992-S995 PolarHBondContact O-N 3.39Å; S992-N996 PolarHBondContact O-N 3.11Å; S992-N996 PolarHBondContact O-OD1 3.06Å
993G33.1Very low33.7Very low39 Ų39100.4 Ų100.440%0.40259%0.586SS.*Hα-helixtrans-59.1-3217800000114.6G989 F991 I997G989-G993 PolarHBondContact O-N 3.3Å; F991-G993 VanDerWaalsContact C-N 3.26Å; F991-G993 PolarHBondContact O-N 3.11Å; G993-I997 WeakPolarHBondContact O-CG1 3.27Å
994V33.3Very low33.8Very low85 Ų8598.6 Ų98.652%0.51558%0.579SS.*Hα-helixtrans-82.4-35.9178.3-1730000111.4F991 S992 N996 I997F991-V994 PolarHBondContact O-N 3.33Å; S992-V994 VanDerWaalsContact C-N 3.27Å; S992-V994 PolarHBondContact O-N 2.96Å; V994-N996 VanDerWaalsContact C-N 3.27Å; V994-N996 PolarHBondContact O-N 2.91Å; V994-I997 PolarHBondContact O-N 2.95Å
995S34.3Very low33.9Very low80 Ų80105.2 Ų105.256%0.55959%0.588SS**Hα-helixtrans-59.6-39170.8-57.30000111.8S992 I997 F998 S999S992-S995 PolarHBondContact O-N 3.39Å; S995-I997 VanDerWaalsContact C-N 3.29Å; S995-I997 PolarHBondContact O-N 3.06Å; S995-F998 PolarHBondContact O-N 3.24Å; S995-F998 VanDerWaalsContact O-N 3.11Å; S995-S999 PolarHBondContact O-N 2.95Å
996N35.4Very low33.6Very low93 Ų93102.2 Ų102.250%0.49759%0.585SS.*Hα-helixtrans-72.4-17.7-179.3-66.4-1.5000113.8S992 V994 F998 S999 F1000S992-N996 PolarHBondContact O-N 3.11Å; S992-N996 PolarHBondContact O-OD1 3.06Å; V994-N996 VanDerWaalsContact C-N 3.27Å; V994-N996 PolarHBondContact O-N 2.91Å; N996-F998 VanDerWaalsContact C-N 3.31Å; N996-S999 WeakPolarHBondContact CA-OG 3.43Å; N996-S999 PolarHBondContact O-OG 2.73Å; N996-S999 VanDerWaalsContact O-OG 3.05Å; N996-F1000 PolarHBondContact O-N 3.26Å
997I35.5Very low33.5Very low105 Ų105108.3 Ų108.354%0.53859%0.594SS.*Hα-helixtrans-70.8-31.7170.2-69.2167.3000110.5G993 V994 S995G993-I997 WeakPolarHBondContact O-CG1 3.27Å; V994-I997 PolarHBondContact O-N 2.95Å; S995-I997 VanDerWaalsContact C-N 3.29Å; S995-I997 PolarHBondContact O-N 3.06Å
998F35.6Very low33.3Very low127 Ų127111.8 Ų111.856%0.55761%0.607SS**Hα-helixtrans-85.7-18.4179.1-76.6-79000114.5S995 N996 G1002S995-F998 PolarHBondContact O-N 3.24Å; S995-F998 VanDerWaalsContact O-N 3.11Å; N996-F998 VanDerWaalsContact C-N 3.31Å; F998-G1002 PolarHBondContact O-N 3.47Å
999S37.8Very low33Very low57 Ų57119.1 Ų119.140%0.39962%0.623SS.*Hα-helixtrans-73.1-39.4163.755.30000111.8S995 N996 W1001 G1002 D1003S995-S999 PolarHBondContact O-N 2.95Å; N996-S999 WeakPolarHBondContact CA-OG 3.43Å; N996-S999 PolarHBondContact O-OG 2.73Å; N996-S999 VanDerWaalsContact O-OG 3.05Å; S999-W1001 VanDerWaalsContact C-N 3.31Å; S999-W1001 PolarHBondContact O-N 3.45Å; S999-G1002 WeakPolarHBondContact O-CA 3.41Å; S999-G1002 PolarHBondContact O-N 2.84Å; S999-D1003 PolarHBondContact O-N 3.15Å; S999-D1003 VanDerWaalsContact O-N 3.07Å
1000F32.7Very low32.8Very low152 Ų152124.4 Ų124.467%0.66763%0.634SS**Hα-helixtrans-58.6-36.4-177.4-168.1-114000114.1N996 S1004N996-F1000 PolarHBondContact O-N 3.26Å; F1000-S1004 PolarHBondContact O-OG 2.94Å
1001W33.6Very low32.5Very low224 Ų224129.9 Ų129.985%0.84865%0.648SS**THydrogen-bonded Turntrans-90.6-8.5173.4-83.863.7000114.4S999S999-W1001 VanDerWaalsContact C-N 3.31Å; S999-W1001 PolarHBondContact O-N 3.45Å
1002G34.6Very low32.3Very low48 Ų48131.7 Ų131.750%0.49566%0.663SS.*THydrogen-bonded Turntrans-81.1-49.9174.300000113.1F998 S999 S1004F998-G1002 PolarHBondContact O-N 3.47Å; S999-G1002 WeakPolarHBondContact O-CA 3.41Å; S999-G1002 PolarHBondContact O-N 2.84Å; G1002-S1004 VanDerWaalsContact C-N 3.26Å; G1002-S1004 PolarHBondContact O-N 2.92Å
1003D33.2Very low32.2Very low125 Ų125134 Ų13467%0.66868%0.676SS**G310 helixtrans-69.4-19.4-173.2-88.3-46.1000114.2S999 R1005 G1006S999-D1003 PolarHBondContact O-N 3.15Å; S999-D1003 VanDerWaalsContact O-N 3.07Å; D1003-R1005 PolarHBondContact O-N 3.15Å; D1003-G1006 PolarHBondContact O-N 3.44Å
1004S32.4Very low31.9Very low100 Ų100144 Ų14470%0.69970%0.702SS**G310 helixtrans-69-0.6-179.6-660000114.7F1000 G1002F1000-S1004 PolarHBondContact O-OG 2.94Å; G1002-S1004 VanDerWaalsContact C-N 3.26Å; G1002-S1004 PolarHBondContact O-N 2.92Å
1005R31.6Very low31.8Very low246 Ų246145.7 Ų145.793%0.92872%0.716SS**G310 helixtrans-122.414.7165.8-71.7-173.7171.3-179.8-2.4113.7D1003D1003-R1005 PolarHBondContact O-N 3.15Å
1006G29.4Very low31.7Very low55 Ų55147.6 Ų147.657%0.56773%0.727SS**SBendtrans-94.4-3.2-177.600000116.6D1003D1003-G1006 PolarHBondContact O-N 3.44Å
1007R29.1Very low31.6Very low241 Ų241147.6 Ų147.691%0.90974%0.739SS**SBendtrans-137.460.1-176.4-77.5-165.9170.1-160.3-2.1115
1008Q27.7Very low31.5Very low180 Ų180148.8 Ų148.884%0.84175%0.754SS**  trans-147.331.9160.5-130.3172.618.900116.6
1009Y27.6Very low31.4Very low240 Ų240149.4 Ų149.494%0.94177%0.769SS**SBendtrans-101.286142.6-90.4-87.2000107.5E1011Y1009-E1011 PolarHBondContact O-N 2.87Å
1010Q30.4Very low31.3Very low163 Ų163152.4 Ų152.476%0.76279%0.787SS**  trans-80.6117.3178.9-173.2166.98.700109L1012Q1010-L1012 PolarHBondContact O-N 3.38Å
1011E29Very low31.5Very low181 Ų181150.4 Ų150.485%0.84679%0.791SS**  trans-58.1121.6165.6-66.4-174.111500108.6Y1009 P1013Y1009-E1011 PolarHBondContact O-N 2.87Å; E1011-P1013 WeakPolarHBondContact O-CD 3.42Å
1012L27.5Very low31.6Very low165 Ų165147.4 Ų147.486%0.86479%0.791SS**  trans-72.1115176.1-86.6159.7000109.2Q1010 R1014Q1010-L1012 PolarHBondContact O-N 3.38Å; L1012-R1014 PolarHBondContact O-N 3.12Å
1013P32.6Very low31.8Very low108 Ų108152.7 Ų152.770%0.70181%0.807SS**  trans-65.7137.6175-17.833000109.9E1011 C1015E1011-P1013 WeakPolarHBondContact O-CD 3.42Å; P1013-C1015 PolarHBondContact O-N 2.99Å
1014R27.3Very low31.9Very low249 Ų249153.8 Ų153.894%0.9481%0.813SS**  trans-65.8123.2171.8-70.4175.5174.6148.7-3.7109.7L1012L1012-R1014 PolarHBondContact O-N 3.12Å
1015C29.9Very low32.2Very low121 Ų121157 Ų15782%0.81882%0.821SS**  trans-137.1151.1155.8-88.60000109.3P1013P1013-C1015 PolarHBondContact O-N 2.99Å
1016P32.4Very low32.2Very low120 Ų120150.6 Ų150.678%0.77981%0.811SS**  trans-92.6159.4-153.435.1-37.3000116
1017A34.6Very low32.5Very low92 Ų92155.9 Ų155.976%0.7683%0.825SS**  trans26.6118152.100000119.9
1018P32.8Very low32.8Very low130 Ų130150 Ų15084%0.84482%0.821SS**  trans-84144.9171.534.5-33.7000113.1
1019T33.6Very low33Very low141 Ų141147 Ų14787%0.86582%0.82SS**  trans-134.9148.215540.90000109.7
1020P36.3Very low33.4Very low120 Ų120142 Ų14278%0.77982%0.817SS**  trans-114147.6-152.138.8-29.7000116.3
1021S36.5Very low33.7Very low109 Ų109137.7 Ų137.776%0.76282%0.816SS**  trans-162.8106.6160.1-75.80000107.6
1022L36Very low34.2Very low161 Ų161140.8 Ų140.884%0.84382%0.82SS**  95.314884.4-84172.5000112.8
1023L37.2Very low35.3Very low160 Ų160144.2 Ų144.284%0.83882%0.822SS**  trans67.489.9-176.7-62.9156.6000114.6
1024N36.5Very low36.1Very low147 Ų147142.1 Ų142.179%0.78681%0.808SS**  57.6107.373.3-71.5-7.4000116
1025I37.8Very low37.2Very low168 Ų168139.9 Ų139.986%0.86280%0.8SS**  -167.9129.6106-89.6151.3000108
1026P32.7Very low39.4Very low111 Ų111135.9 Ų135.972%0.72178%0.779SS**  trans-112.2162-169.940.4-34.1000115.1
1027L35.7Very low41.5Very low167 Ų167134.5 Ų134.587%0.87477%0.765SS**  trans-151.1113.8156.7-116.2133.4000113.4
1028S35.6Very low43.5Very low116 Ų116135.2 Ų135.281%0.81176%0.76SS**  trans50.3120.4151-58.20000122
1029S30.3Very low45.7Very low117 Ų117134 Ų13482%0.81874%0.742SS**  trans-143.5134.217065.20000113.6
1030P37.6Very low48Very low135 Ų135130.3 Ų130.388%0.87772%0.723SS**  trans-114.4158.4146.836.8-28.3000110.6
1031G36.3Very low50.1Low73 Ų73133.8 Ų133.875%0.75372%0.72SS**  cis178.9110.4-6.500000109.4R1033G1031-R1033 PolarHBondContact O-N 2.91Å
1032R39.2Very low52.3Low247 Ų247134 Ų13493%0.93271%0.713SS**  trans-72.5112-168.8175.6-161.1-87.3-160.5-5.5113.3
1033R51Low54.8Low236 Ų236130.4 Ų130.489%0.89169%0.694SS**  trans-179.5162.7151.6-102.2164.8-167-164.34.4110.3G1031G1031-R1033 PolarHBondContact O-N 2.91Å
1034P49.8Very low57.1Low64 Ų64124.8 Ų124.842%0.41667%0.67SS.*  cis-129.3143.6-25.638.2-23.6000113G1036 D1037P1034-G1036 VanDerWaalsContact C-N 3.26Å; P1034-G1036 PolarHBondContact O-N 3.5Å; P1034-D1037 WeakPolarHBondContact CD-OD2 3.35Å; P1034-D1037 HydrophobicContact CG-CB 3.96Å; P1034-D1037 VanDerWaalsContact CG-CG 3.42Å; P1034-D1037 WeakPolarHBondContact CG-OD2 3.49Å; P1034-D1037 PolarHBondContact O-N 3.42Å
1035R49.4Very low59.4Low202 Ų202122.9 Ų122.976%0.76266%0.66SS**Hα-helixtrans-62.3-31.3176-177.6174.4172.5149.21.6113.5D1037 V1038 E1039R1035-D1037 VanDerWaalsContact C-N 3.31Å; R1035-D1037 PolarHBondContact O-N 3.31Å; R1035-V1038 PolarHBondContact O-N 2.89Å; R1035-E1039 WeakPolarHBondContact CG-OE1 3.4Å; R1035-E1039 IonicContact CZ-OE1 3.3Å; R1035-E1039 IonicContact NE-OE1 3.66Å; R1035-E1039 PolarHBondContact NE-OE1 2.82Å; R1035-E1039 PolarHBondContact O-N 3.49Å
1036G76.5Confident61.7Low37 Ų37120 Ų12038%0.38164%0.643SS.*Hα-helixtrans-67.9-19.8-179.100000115.6P1034 V1038 S1040P1034-G1036 VanDerWaalsContact C-N 3.26Å; P1034-G1036 PolarHBondContact O-N 3.5Å; G1036-V1038 VanDerWaalsContact C-N 3.35Å; G1036-S1040 WeakPolarHBondContact O-CB 3.37Å; G1036-S1040 PolarHBondContact O-N 2.9Å; G1036-S1040 PolarHBondContact O-OG 3.37Å; G1036-S1040 VanDerWaalsContact O-OG 3.13Å
1037D75.8Confident64.4Low92 Ų92122.2 Ų122.249%0.49264%0.637SS.*Hα-helixtrans-73.6-30.1174.8-77.2-11000111.7P1034 R1035 S1040 R1041P1034-D1037 WeakPolarHBondContact CD-OD2 3.35Å; P1034-D1037 HydrophobicContact CG-CB 3.96Å; P1034-D1037 VanDerWaalsContact CG-CG 3.42Å; P1034-D1037 WeakPolarHBondContact CG-OD2 3.49Å; P1034-D1037 PolarHBondContact O-N 3.42Å; R1035-D1037 VanDerWaalsContact C-N 3.31Å; R1035-D1037 PolarHBondContact O-N 3.31Å; D1037-S1040 PolarHBondContact O-OG 3.03Å; D1037-R1041 VanDerWaalsContact O-CB 3.28Å; D1037-R1041 WeakPolarHBondContact O-CB 3.33Å; D1037-R1041 VanDerWaalsContact O-CG 3.23Å; D1037-R1041 WeakPolarHBondContact O-CG 3.46Å; D1037-R1041 PolarHBondContact O-N 2.95Å
1038V76.8Confident66.9Low107 Ų107120.3 Ų120.365%0.64862%0.623SS**Hα-helixtrans-71.6-44.3173.5-176.20000109.9R1035 G1036 R1041 L1042R1035-V1038 PolarHBondContact O-N 2.89Å; G1036-V1038 VanDerWaalsContact C-N 3.35Å; V1038-R1041 PolarHBondContact O-N 3.26Å; V1038-L1042 WeakPolarHBondContact O-CB 3.42Å; V1038-L1042 PolarHBondContact O-N 3.28Å
1039E79.8Confident69.2Low103 Ų103120 Ų12048%0.48161%0.612SS.*Hα-helixtrans-64.9-42.5178.5-70.1163.2-17500111R1035 L1042 D1043R1035-E1039 WeakPolarHBondContact CG-OE1 3.4Å; R1035-E1039 IonicContact CZ-OE1 3.3Å; R1035-E1039 IonicContact NE-OE1 3.66Å; R1035-E1039 PolarHBondContact NE-OE1 2.82Å; R1035-E1039 PolarHBondContact O-N 3.49Å; E1039-L1042 PolarHBondContact O-N 2.95Å; E1039-D1043 WeakPolarHBondContact O-CB 3.4Å; E1039-D1043 PolarHBondContact O-N 3.33Å
1040S82.1Confident72Confident65 Ų65118.2 Ų118.246%0.45559%0.593SS.*Hα-helixtrans-70.2-34.4176.669.70000113.9G1036 D1037 D1043 A1044G1036-S1040 WeakPolarHBondContact O-CB 3.37Å; G1036-S1040 PolarHBondContact O-N 2.9Å; G1036-S1040 PolarHBondContact O-OG 3.37Å; G1036-S1040 VanDerWaalsContact O-OG 3.13Å; D1037-S1040 PolarHBondContact O-OG 3.03Å; S1040-D1043 PolarHBondContact O-N 2.99Å; S1040-A1044 WeakPolarHBondContact O-CB 3.36Å; S1040-A1044 PolarHBondContact O-N 3.33Å
1041R80.6Confident74.4Confident192 Ų192121.2 Ų121.273%0.72559%0.587SS**Hα-helixtrans-67.5-39171.4-78.7179.6175.1-138.1-0.2112.4D1037 V1038 D1043 A1044 L1045D1037-R1041 VanDerWaalsContact O-CB 3.28Å; D1037-R1041 WeakPolarHBondContact O-CB 3.33Å; D1037-R1041 VanDerWaalsContact O-CG 3.23Å; D1037-R1041 WeakPolarHBondContact O-CG 3.46Å; D1037-R1041 PolarHBondContact O-N 2.95Å; V1038-R1041 PolarHBondContact O-N 3.26Å; R1041-D1043 VanDerWaalsContact C-N 3.34Å; R1041-A1044 PolarHBondContact O-N 2.91Å; R1041-L1045 WeakPolarHBondContact O-CB 3.38Å; R1041-L1045 WeakPolarHBondContact O-CG 3.28Å; R1041-L1045 PolarHBondContact O-N 3.09Å
1042L81.7Confident76.8Confident115 Ų115123.4 Ų123.460%0.60258%0.581SS**Hα-helixtrans-62.4-44174.7-168.671.9000110.7V1038 E1039 A1044 L1045 Q1046V1038-L1042 WeakPolarHBondContact O-CB 3.42Å; V1038-L1042 PolarHBondContact O-N 3.28Å; E1039-L1042 PolarHBondContact O-N 2.95Å; L1042-A1044 PolarHBondContact O-N 3.45Å; L1042-L1045 PolarHBondContact O-N 3Å; L1042-Q1046 WeakPolarHBondContact O-CB 3.42Å; L1042-Q1046 PolarHBondContact O-N 2.98Å
1043D87.8Confident79.2Confident85 Ų85117.3 Ų117.346%0.45556%0.563SS.*Hα-helixtrans-66.6-35.6177.9-13652000112.3E1039 S1040 R1041 R1047E1039-D1043 WeakPolarHBondContact O-CB 3.4Å; E1039-D1043 PolarHBondContact O-N 3.33Å; S1040-D1043 PolarHBondContact O-N 2.99Å; R1041-D1043 VanDerWaalsContact C-N 3.34Å; D1043-R1047 VanDerWaalsContact O-CG 3.24Å; D1043-R1047 WeakPolarHBondContact O-CG 3.36Å; D1043-R1047 PolarHBondContact O-N 3.05Å; D1043-R1047 VanDerWaalsContact O-N 3.15Å; D1043-R1047 PolarHBondContact O-NE 3.3Å; D1043-R1047 IonicContact OD2-CZ 2.7Å; D1043-R1047 IonicContact OD2-NE 3.07Å; D1043-R1047 IonicContact OD2-NH2 3.46Å; D1043-R1047 PolarHBondContact OD2-NH2 3.39Å
1044A85.8Confident80.9Confident41 Ų41110.2 Ų110.234%0.33955%0.546SS..Hα-helixtrans-65.2-46.217200000112.2S1040 R1041 L1042 R1047 Q1048S1040-A1044 WeakPolarHBondContact O-CB 3.36Å; S1040-A1044 PolarHBondContact O-N 3.33Å; R1041-A1044 PolarHBondContact O-N 2.91Å; L1042-A1044 PolarHBondContact O-N 3.45Å; A1044-R1047 PolarHBondContact O-N 3.45Å; A1044-Q1048 PolarHBondContact O-N 2.87Å
1045L84.3Confident82.9Confident107 Ų107116.2 Ų116.256%0.5656%0.56SS**Hα-helixtrans-61-44.5175.6-75.5168.8000111.5R1041 L1042 R1047 Q1048 L1049R1041-L1045 WeakPolarHBondContact O-CB 3.38Å; R1041-L1045 WeakPolarHBondContact O-CG 3.28Å; R1041-L1045 PolarHBondContact O-N 3.09Å; L1042-L1045 PolarHBondContact O-N 3Å; L1045-R1047 VanDerWaalsContact C-N 3.3Å; L1045-R1047 PolarHBondContact O-N 3.24Å; L1045-Q1048 PolarHBondContact O-N 3.23Å; L1045-Q1048 VanDerWaalsContact O-N 3.1Å; L1045-L1049 WeakPolarHBondContact O-CB 3.05Å; L1045-L1049 PolarHBondContact O-N 3.24Å
1046Q87.3Confident84.6Confident108 Ų108111.5 Ų111.551%0.50555%0.55SS..Hα-helixtrans-57-43176.3-166.174.325.500111.6L1042 L1049 N1050L1042-Q1046 WeakPolarHBondContact O-CB 3.42Å; L1042-Q1046 PolarHBondContact O-N 2.98Å; Q1046-L1049 PolarHBondContact O-N 2.97Å; Q1046-N1050 PolarHBondContact O-N 3.3Å; Q1046-N1050 PolarHBondContact O-OD1 3.19Å
1047R89Confident85.1Confident158 Ų158113.2 Ų113.260%0.59656%0.556SS**Hα-helixtrans-69.5-33.1176.4-66.5172.9-141.1158.7-0.6113.1D1043 A1044 L1045 R1051D1043-R1047 VanDerWaalsContact O-CG 3.24Å; D1043-R1047 WeakPolarHBondContact O-CG 3.36Å; D1043-R1047 PolarHBondContact O-N 3.05Å; D1043-R1047 VanDerWaalsContact O-N 3.15Å; D1043-R1047 PolarHBondContact O-NE 3.3Å; D1043-R1047 IonicContact OD2-CZ 2.7Å; D1043-R1047 IonicContact OD2-NE 3.07Å; D1043-R1047 IonicContact OD2-NH2 3.46Å; D1043-R1047 PolarHBondContact OD2-NH2 3.39Å; A1044-R1047 PolarHBondContact O-N 3.45Å; L1045-R1047 VanDerWaalsContact C-N 3.3Å; L1045-R1047 PolarHBondContact O-N 3.24Å; R1047-R1051 WeakPolarHBondContact O-CB 3.45Å; R1047-R1051 PolarHBondContact O-N 3.47Å
1048Q87.7Confident85.8Confident127 Ų127111.2 Ų111.259%0.59355%0.552SS**Hα-helixtrans-68.3-41.2172.1-73.1-179.1-80.100111.5A1044 L1045 R1051 L1052A1044-Q1048 PolarHBondContact O-N 2.87Å; L1045-Q1048 PolarHBondContact O-N 3.23Å; L1045-Q1048 VanDerWaalsContact O-N 3.1Å; Q1048-R1051 WeakPolarHBondContact O-CB 3.38Å; Q1048-R1051 PolarHBondContact O-N 3.47Å; Q1048-L1052 PolarHBondContact O-N 3.41Å
1049L84.6Confident86.4Confident108 Ų108110.6 Ų110.657%0.56555%0.545SS*.Hα-helixtrans-63.4-48.6179.4-139.2167.7000110.9L1045 Q1046 R1051 L1052 E1053L1045-L1049 WeakPolarHBondContact O-CB 3.05Å; L1045-L1049 PolarHBondContact O-N 3.24Å; Q1046-L1049 PolarHBondContact O-N 2.97Å; L1049-R1051 VanDerWaalsContact C-N 3.29Å; L1049-R1051 PolarHBondContact O-N 3.43Å; L1049-L1052 PolarHBondContact O-N 3.12Å; L1049-E1053 WeakPolarHBondContact O-CB 3.43Å; L1049-E1053 PolarHBondContact O-N 2.97Å
1050N88.5Confident86.6Confident81 Ų81111.3 Ų111.343%0.43355%0.55SS.*Hα-helixtrans-60.6-35.5174.7-68.118.1000112.4Q1046 T1054Q1046-N1050 PolarHBondContact O-N 3.3Å; Q1046-N1050 PolarHBondContact O-OD1 3.19Å; N1050-T1054 WeakPolarHBondContact O-CB 3.49Å; N1050-T1054 WeakPolarHBondContact O-CG2 3.41Å; N1050-T1054 PolarHBondContact O-N 3.3Å; N1050-T1054 PolarHBondContact O-OG1 3.19Å
1051R88.5Confident86.8Confident198 Ų198110.9 Ų110.975%0.74755%0.55SS**Hα-helixtrans-67.6-33.5173.3-88.6-173.9169.9-171.1-1.8113.2R1047 Q1048 L1049 T1054 R1055R1047-R1051 WeakPolarHBondContact O-CB 3.45Å; R1047-R1051 PolarHBondContact O-N 3.47Å; Q1048-R1051 WeakPolarHBondContact O-CB 3.38Å; Q1048-R1051 PolarHBondContact O-N 3.47Å; L1049-R1051 VanDerWaalsContact C-N 3.29Å; L1049-R1051 PolarHBondContact O-N 3.43Å; R1051-T1054 WeakPolarHBondContact CA-OG1 3.33Å; R1051-T1054 PolarHBondContact O-OG1 2.87Å; R1051-R1055 PolarHBondContact O-N 2.87Å
1052L87.4Confident87Confident118 Ų118105 Ų10562%0.61854%0.536SS*.Hα-helixtrans-76.2-41.3177.5-163.6123000111.2Q1048 L1049 R1055 L1056Q1048-L1052 PolarHBondContact O-N 3.41Å; L1049-L1052 PolarHBondContact O-N 3.12Å; L1052-R1055 PolarHBondContact O-N 3.46Å; L1052-L1056 WeakPolarHBondContact O-CB 3.42Å; L1052-L1056 PolarHBondContact O-N 3.13Å
1053E87.9Confident87.1Confident120 Ų120103.3 Ų103.356%0.56153%0.53SS*.Hα-helixtrans-59.5-46.9173.4-178.2-179.8-158.600111.8L1049 R1055 L1056 S1057L1049-E1053 WeakPolarHBondContact O-CB 3.43Å; L1049-E1053 PolarHBondContact O-N 2.97Å; E1053-R1055 PolarHBondContact O-N 3.19Å; E1053-L1056 PolarHBondContact O-N 2.94Å; E1053-S1057 PolarHBondContact O-N 3.04Å; E1053-S1057 PolarHBondContact O-OG 2.98Å
1054T88.6Confident86.8Confident87 Ų87104.1 Ų104.153%0.53453%0.534SS..Hα-helixtrans-66.9-32.8177.245.20000113.7N1050 R1051 S1057 A1058N1050-T1054 WeakPolarHBondContact O-CB 3.49Å; N1050-T1054 WeakPolarHBondContact O-CG2 3.41Å; N1050-T1054 PolarHBondContact O-N 3.3Å; N1050-T1054 PolarHBondContact O-OG1 3.19Å; R1051-T1054 WeakPolarHBondContact CA-OG1 3.33Å; R1051-T1054 PolarHBondContact O-OG1 2.87Å; T1054-S1057 PolarHBondContact O-OG 3.43Å; T1054-S1057 VanDerWaalsContact O-OG 3.13Å; T1054-A1058 PolarHBondContact O-N 3.06Å
1055R90Very high86.8Confident189 Ų189108.2 Ų108.271%0.71355%0.546SS*.Hα-helixtrans-67.3-50168.6-87.5-174.4166.7-173.6-5.8111.6R1051 L1052 E1053 S1057 A1058 D1059R1051-R1055 PolarHBondContact O-N 2.87Å; L1052-R1055 PolarHBondContact O-N 3.46Å; E1053-R1055 PolarHBondContact O-N 3.19Å; R1055-S1057 VanDerWaalsContact C-N 3.25Å; R1055-S1057 PolarHBondContact O-N 2.92Å; R1055-A1058 WeakPolarHBondContact O-CB 3.41Å; R1055-A1058 PolarHBondContact O-N 2.91Å; R1055-D1059 PolarHBondContact O-N 3.01Å
1056L85.3Confident86.6Confident104 Ų104108.2 Ų108.255%0.54555%0.546SS..Hα-helixtrans-58.6-37.8-178.4-166.176000111.9L1052 E1053 M1060L1052-L1056 WeakPolarHBondContact O-CB 3.42Å; L1052-L1056 PolarHBondContact O-N 3.13Å; E1053-L1056 PolarHBondContact O-N 2.94Å; L1056-M1060 WeakPolarHBondContact O-CB 3.24Å; L1056-M1060 WeakPolarHBondContact O-CG 3.49Å; L1056-M1060 PolarHBondContact O-N 2.59Å
1057S88.5Confident86Confident72 Ų72107.4 Ų107.450%0.50355%0.545SS..Hα-helixtrans-70.7-35.2176.167.40000113.2E1053 T1054 R1055 A1061E1053-S1057 PolarHBondContact O-N 3.04Å; E1053-S1057 PolarHBondContact O-OG 2.98Å; T1054-S1057 PolarHBondContact O-OG 3.43Å; T1054-S1057 VanDerWaalsContact O-OG 3.13Å; R1055-S1057 VanDerWaalsContact C-N 3.25Å; R1055-S1057 PolarHBondContact O-N 2.92Å; S1057-A1061 WeakPolarHBondContact O-CB 3.47Å; S1057-A1061 PolarHBondContact O-N 3.2Å
1058A89.3Confident85.4Confident51 Ų51106.4 Ų106.442%0.42155%0.547SS..Hα-helixtrans-68.6-42.3172.100000112T1054 R1055 A1061 T1062T1054-A1058 PolarHBondContact O-N 3.06Å; R1055-A1058 WeakPolarHBondContact O-CB 3.41Å; R1055-A1058 PolarHBondContact O-N 2.91Å; A1058-A1061 PolarHBondContact O-N 3.35Å; A1058-T1062 PolarHBondContact O-N 3.47Å; A1058-T1062 PolarHBondContact O-OG1 2.94Å
1059D89Confident84.5Confident94 Ų94109.3 Ų109.350%0.50355%0.552SS.*Hα-helixtrans-64.9-44.1176.7-65.6-23.9000110.5R1055 A1061 T1062 V1063R1055-D1059 PolarHBondContact O-N 3.01Å; D1059-A1061 VanDerWaalsContact C-N 3.33Å; D1059-A1061 PolarHBondContact O-N 3.05Å; D1059-T1062 PolarHBondContact O-N 3.49Å; D1059-T1062 PolarHBondContact O-OG1 2.83Å; D1059-V1063 WeakPolarHBondContact O-CB 3.38Å; D1059-V1063 WeakPolarHBondContact O-CG2 3.2Å; D1059-V1063 PolarHBondContact O-N 3.35Å
1060M83.9Confident83.2Confident118 Ų118110.6 Ų110.658%0.58156%0.555SS**Hα-helixtrans-59.7-40.4171.2-77.5-170.373.100112.7L1056 V1063 L1064L1056-M1060 WeakPolarHBondContact O-CB 3.24Å; L1056-M1060 WeakPolarHBondContact O-CG 3.49Å; L1056-M1060 PolarHBondContact O-N 2.59Å; M1060-V1063 PolarHBondContact O-N 3.06Å; M1060-L1064 WeakPolarHBondContact O-CB 3.36Å; M1060-L1064 VanDerWaalsContact O-CG 3.29Å; M1060-L1064 WeakPolarHBondContact O-CG 3.37Å; M1060-L1064 PolarHBondContact O-N 3.36Å
1061A86.9Confident81.3Confident55 Ų55114.3 Ų114.346%0.45557%0.572SS.*Hα-helixtrans-64.3-42.117700000112.1S1057 A1058 D1059 L1064 Q1065S1057-A1061 WeakPolarHBondContact O-CB 3.47Å; S1057-A1061 PolarHBondContact O-N 3.2Å; A1058-A1061 PolarHBondContact O-N 3.35Å; D1059-A1061 VanDerWaalsContact C-N 3.33Å; D1059-A1061 PolarHBondContact O-N 3.05Å; A1061-L1064 PolarHBondContact O-N 3.22Å; A1061-Q1065 WeakPolarHBondContact O-CB 3.22Å; A1061-Q1065 PolarHBondContact O-N 2.93Å
1062T84.8Confident79.4Confident69 Ų69110.4 Ų110.442%0.42357%0.57SS.*Hα-helixtrans-68.9-38.417659.90000112.5A1058 D1059 Q1065 L1066A1058-T1062 PolarHBondContact O-N 3.47Å; A1058-T1062 PolarHBondContact O-OG1 2.94Å; D1059-T1062 PolarHBondContact O-N 3.49Å; D1059-T1062 PolarHBondContact O-OG1 2.83Å; T1062-Q1065 PolarHBondContact O-N 3.31Å; T1062-L1066 WeakPolarHBondContact O-CB 3.25Å; T1062-L1066 VanDerWaalsContact O-CG 3.31Å; T1062-L1066 WeakPolarHBondContact O-CG 3.18Å; T1062-L1066 PolarHBondContact O-N 3.38Å
1063V84.1Confident77.6Confident79 Ų79111.8 Ų111.848%0.47958%0.577SS.*Hα-helixtrans-61.9-44.8173.4169.30000111.3D1059 M1060 Q1065 L1066 L1067D1059-V1063 WeakPolarHBondContact O-CB 3.38Å; D1059-V1063 WeakPolarHBondContact O-CG2 3.2Å; D1059-V1063 PolarHBondContact O-N 3.35Å; M1060-V1063 PolarHBondContact O-N 3.06Å; V1063-Q1065 VanDerWaalsContact C-N 3.33Å; V1063-Q1065 PolarHBondContact O-N 3.24Å; V1063-L1066 PolarHBondContact O-N 2.78Å; V1063-L1067 HydrophobicContact CG1-CD1 4Å; V1063-L1067 WeakPolarHBondContact O-CB 3.35Å; V1063-L1067 WeakPolarHBondContact O-CG 3.48Å; V1063-L1067 PolarHBondContact O-N 3.48Å
1064L82.1Confident75.3Confident102 Ų102111.3 Ų111.353%0.53458%0.583SS.*Hα-helixtrans-61.9-39.9174.2-73.8169.1000112M1060 A1061 L1067 Q1068M1060-L1064 WeakPolarHBondContact O-CB 3.36Å; M1060-L1064 VanDerWaalsContact O-CG 3.29Å; M1060-L1064 WeakPolarHBondContact O-CG 3.37Å; M1060-L1064 PolarHBondContact O-N 3.36Å; A1061-L1064 PolarHBondContact O-N 3.22Å; L1064-L1067 PolarHBondContact O-N 3.35Å; L1064-Q1068 PolarHBondContact O-N 2.96Å
1065Q84.3Confident73.1Confident128 Ų128112 Ų11260%0.59859%0.589SS**Hα-helixtrans-69.2-34.4177.7-163.5174.639.300112.6A1061 T1062 V1063 R1069A1061-Q1065 WeakPolarHBondContact O-CB 3.22Å; A1061-Q1065 PolarHBondContact O-N 2.93Å; T1062-Q1065 PolarHBondContact O-N 3.31Å; V1063-Q1065 VanDerWaalsContact C-N 3.33Å; V1063-Q1065 PolarHBondContact O-N 3.24Å; Q1065-R1069 WeakPolarHBondContact O-CG 3.47Å; Q1065-R1069 PolarHBondContact O-N 3.39Å
1066L81.7Confident70.7Confident107 Ų107109.3 Ų109.356%0.5660%0.595SS**Hα-helixtrans-67.8-45.1172.1-74.4168.1000111.5T1062 V1063 Q1068 R1069 Q1070T1062-L1066 WeakPolarHBondContact O-CB 3.25Å; T1062-L1066 VanDerWaalsContact O-CG 3.31Å; T1062-L1066 WeakPolarHBondContact O-CG 3.18Å; T1062-L1066 PolarHBondContact O-N 3.38Å; V1063-L1066 PolarHBondContact O-N 2.78Å; L1066-Q1068 PolarHBondContact O-N 3.5Å; L1066-R1069 PolarHBondContact O-N 2.71Å; L1066-Q1070 PolarHBondContact O-N 2.87Å
1067L74.7Confident68.2Low91 Ų91108.5 Ų108.548%0.47660%0.604SS.*Hα-helixtrans-61.6-41.9175.2-72.6169.2000111.7V1063 L1064 Q1070 M1071V1063-L1067 HydrophobicContact CG1-CD1 4Å; V1063-L1067 WeakPolarHBondContact O-CB 3.35Å; V1063-L1067 WeakPolarHBondContact O-CG 3.48Å; V1063-L1067 PolarHBondContact O-N 3.48Å; L1064-L1067 PolarHBondContact O-N 3.35Å; L1067-Q1070 PolarHBondContact O-N 3.03Å; L1067-M1071 PolarHBondContact O-N 2.98Å
1068Q76Confident65.8Low137 Ų137115.8 Ų115.864%0.6462%0.622SS**Hα-helixtrans-62.1-44.4172.1-79-169.8-53.900112.1L1064 L1066 Q1070 M1071 T1072L1064-Q1068 PolarHBondContact O-N 2.96Å; L1066-Q1068 PolarHBondContact O-N 3.5Å; Q1068-Q1070 VanDerWaalsContact C-N 3.29Å; Q1068-Q1070 PolarHBondContact O-N 2.62Å; Q1068-M1071 PolarHBondContact O-N 2.56Å; Q1068-T1072 WeakPolarHBondContact O-CG2 3.28Å; Q1068-T1072 PolarHBondContact O-N 2.87Å; Q1068-T1072 PolarHBondContact O-OG1 3.28Å
1069R69.1Low63.2Low188 Ų188119.2 Ų119.271%0.70964%0.643SS**Hα-helixtrans-61.7-36176.3-78.8-170.371.7163.31.7112.8Q1065 L1066 T1072Q1065-R1069 WeakPolarHBondContact O-CG 3.47Å; Q1065-R1069 PolarHBondContact O-N 3.39Å; L1066-R1069 PolarHBondContact O-N 2.71Å; R1069-T1072 WeakPolarHBondContact CA-OG1 3.35Å; R1069-T1072 PolarHBondContact O-OG1 3.05Å
1070Q56Low60.9Low135 Ų135119.5 Ų119.563%0.63166%0.658SS**Hα-helixtrans-70.4-42.4174.4-73.8-178.1-21.100112L1066 L1067 Q1068 T1072 L1073L1066-Q1070 PolarHBondContact O-N 2.87Å; L1067-Q1070 PolarHBondContact O-N 3.03Å; Q1068-Q1070 VanDerWaalsContact C-N 3.29Å; Q1068-Q1070 PolarHBondContact O-N 2.62Å; Q1070-T1072 VanDerWaalsContact C-N 3.28Å; Q1070-T1072 PolarHBondContact O-N 3.31Å; Q1070-L1073 PolarHBondContact O-N 3.45Å
1071M48.5Very low58.4Low159 Ų159120.5 Ų120.578%0.78367%0.67SS**Hα-helixtrans-63-31.4174.1-79.6-174.3162.300113.1L1067 Q1068 L1073L1067-M1071 PolarHBondContact O-N 2.98Å; Q1068-M1071 PolarHBondContact O-N 2.56Å; M1071-L1073 PolarHBondContact O-N 3.29Å
1072T50.4Low56.1Low115 Ų115124.5 Ų124.571%0.70669%0.689SS**THydrogen-bonded Turntrans-73.9-4.6173.552.70000114.8Q1068 R1069 Q1070Q1068-T1072 WeakPolarHBondContact O-CG2 3.28Å; Q1068-T1072 PolarHBondContact O-N 2.87Å; Q1068-T1072 PolarHBondContact O-OG1 3.28Å; R1069-T1072 WeakPolarHBondContact CA-OG1 3.35Å; R1069-T1072 PolarHBondContact O-OG1 3.05Å; Q1070-T1072 VanDerWaalsContact C-N 3.28Å; Q1070-T1072 PolarHBondContact O-N 3.31Å
1073L48.4Very low54Low147 Ų147127.4 Ų127.477%0.7771%0.708SS**THydrogen-bonded Turntrans-103.94-177.5-13977.8000114.3Q1070 M1071Q1070-L1073 PolarHBondContact O-N 3.45Å; M1071-L1073 PolarHBondContact O-N 3.29Å
1074V40.9Very low51.7Low111 Ų111129.9 Ų129.967%0.67373%0.725SS**SBendtrans-115.7109.5178.9-176.90000109.8
1075P40.7Very low49.7Very low101 Ų101128.4 Ų128.466%0.65674%0.735SS**  trans-64.8140.8174.9-21.433.5000112A1077P1075-A1077 PolarHBondContact O-N 3.49Å
1076P40Very low47.6Very low132 Ų132128.7 Ų128.786%0.85775%0.747SS**  trans-72.989.4176.729.8-34.5000111Y1078P1076-Y1078 VanDerWaalsContact C-N 3.34Å; P1076-Y1078 PolarHBondContact O-N 2.93Å
1077A33.6Very low45.5Very low87 Ų87127.2 Ų127.272%0.71976%0.758SS**  trans-7964.4-169.300000115P1075P1075-A1077 PolarHBondContact O-N 3.49Å
1078Y37.5Very low43.8Very low225 Ų225128.3 Ų128.388%0.88277%0.771SS**  trans-149.890164.9-86.9-68.5000113.1P1076P1076-Y1078 VanDerWaalsContact C-N 3.34Å; P1076-Y1078 PolarHBondContact O-N 2.93Å
1079S35.8Very low41.8Very low124 Ų124127.7 Ų127.787%0.86778%0.777SS**  trans-169.5139.8151.8-88.10000114
1080A38.7Very low40.3Very low99 Ų99123.9 Ų123.982%0.81878%0.779SS**  trans47.8108.5155.600000120.3
1081V32.7Very low39.2Very low139 Ų139123.5 Ų123.584%0.84279%0.786SS**  trans-60.8136.5164.7173.10000112.8
1082T39.2Very low38.6Very low139 Ų139121.3 Ų121.385%0.85379%0.786SS**  trans-153.7165.2146.412.70000110.7
1083T38.9Very low38Very low131 Ų131121.2 Ų121.280%0.80479%0.787SS**  trans-92.4156.9-154.4400000116.7
1084P37.6Very low37.3Very low131 Ų131121.7 Ų121.785%0.85179%0.79SS**  trans-94.8168.5-170.838.1-37.8000115.5
1085G39.3Very low37.2Very low71 Ų71124.3 Ų124.373%0.73280%0.799SS**  trans-146.6158.2165.300000111.8
1086P39.7Very low36.8Very low133 Ų133125 Ų12586%0.86480%0.804SS**  trans-121.7124.9-151.236-21000118
1087G37.7Very low36.6Very low77 Ų77125.6 Ų125.679%0.79481%0.805SS**  trans68.8-173.6153.800000118.6
1088P40.2Very low36.9Very low114 Ų114126.1 Ų126.174%0.7480%0.803SS**  cis-136.7167.4-1440.6-24.3000116
1089T33.1Very low36.7Very low124 Ų124121.5 Ų121.576%0.76180%0.8SS**  trans47.4121.3148.553.20000122.6
1090S36.6Very low36.7Very low108 Ų108123.3 Ų123.376%0.75580%0.8SS**  156.5137.997.156.30000116.1
1091T33.2Very low36.5Very low127 Ų127123.8 Ų123.878%0.77979%0.794SS**  trans23.8131149.652.10000121.1
1092S37.7Very low36.4Very low113 Ų113123.6 Ų123.679%0.7979%0.794SS**  -162.1167.970.4-68.10000114.4
1093P36.8Very low36.1Very low112 Ų112125 Ų12573%0.72780%0.795SS**  trans-121.4-167.4-162.337.6-20.1000115.7
1094L33.6Very low35.9Very low158 Ų158123.8 Ų123.883%0.82779%0.788SS**  trans90.9107.6166.9-54.5170.3000118.2
1095L38.5Very low35.8Very low165 Ų165124.7 Ų124.786%0.86479%0.785SS**  -170.4145.6101.6-94.4169.3000110.1
1096P32.4Very low35.5Very low116 Ų116126.8 Ų126.875%0.75378%0.779SS**  trans-90149.7-178.135.3-33.3000112.9
1097V36.3Very low35.3Very low145 Ų145125.5 Ų125.588%0.87977%0.773SS**  trans-128139.5168.5179.90000109.2
1098S39.3Very low35.2Very low97 Ų97128.1 Ų128.168%0.67877%0.768SS**PPolyproline II helixtrans-69.3152.8-163.7-47.20000115
1099P34.1Very low35.1Very low128 Ų128126.1 Ų126.183%0.83176%0.757SS**PPolyproline II helixtrans-69.1132.1165.730.4-33.5000110.5
1100L34.5Very low35.3Very low162 Ų162127.4 Ų127.485%0.84875%0.754SS**PPolyproline II helixtrans-88.4153.2163.2-108.175.2000110.3
1101P35.6Very low35.2Very low109 Ų109128 Ų12871%0.70875%0.753SS**PPolyproline II helixtrans-81.6162.7-16032.5-37.2000114.5L1103P1101-L1103 PolarHBondContact O-N 3.14Å
1102T30.2Very low35.4Very low135 Ų135126.8 Ų126.883%0.82875%0.75SS**PPolyproline II helixtrans-48.8125.6162.516.30000112
1103L33.7Very low35.3Very low170 Ų170128.8 Ų128.889%0.8975%0.747SS**PPolyproline II helixtrans-98.3130.6153.8-75.5171.4000107.9P1101P1101-L1103 PolarHBondContact O-N 3.14Å
1104T33.6Very low35.1Very low104 Ų104132.5 Ų132.564%0.63875%0.752SS**PPolyproline II helixtrans-78.1153-175.9530000111.6D1106T1104-D1106 WeakPolarHBondContact CB-OD2 3.27Å; T1104-D1106 PolarHBondContact O-N 3.41Å; T1104-D1106 PolarHBondContact OG1-OD2 2.77Å
1105L35.1Very low35Very low151 Ų151134.1 Ų134.179%0.79176%0.757SS**SBendtrans-82.327.8-172.4-15477.1000113.4S1107L1105-S1107 PolarHBondContact O-N 2.91Å
1106D34.7Very low34.5Very low114 Ų114130.1 Ų130.161%0.6175%0.748SS**THydrogen-bonded Turntrans-81.115.4-166.9-58.2-45.9000114.4T1104T1104-D1106 WeakPolarHBondContact CB-OD2 3.27Å; T1104-D1106 PolarHBondContact O-N 3.41Å; T1104-D1106 PolarHBondContact OG1-OD2 2.77Å
1107S34.7Very low34.4Very low106 Ų106131.1 Ų131.174%0.74176%0.756SS**THydrogen-bonded Turntrans-116.45.4-173.7-64.70000115.2L1105L1105-S1107 PolarHBondContact O-N 2.91Å
1108L34.6Very low34Very low132 Ų132133 Ų13369%0.69176%0.756SS**SBendtrans-108.6-6.3176.4-77.5167.6000114.4
1109S39.6Very low33.7Very low72 Ų72137.5 Ų137.550%0.50377%0.766SS.*THydrogen-bonded Turntrans-79-22179.8510000114.5V1111S1109-V1111 VanDerWaalsContact C-N 3.32Å; S1109-V1111 PolarHBondContact O-N 2.72Å
1110Q35.8Very low33.7Very low152 Ų152138.9 Ų138.971%0.7177%0.765SS**THydrogen-bonded Turntrans-78.5-7.1-174.8-72.2-171-14.100115.2
1111V35.8Very low33.8Very low120 Ų120136.9 Ų136.973%0.72776%0.762SS**SBendtrans-92.8-25.7-175.6-176.70000112.8S1109S1109-V1111 VanDerWaalsContact C-N 3.32Å; S1109-V1111 PolarHBondContact O-N 2.72Å
1112S37.6Very low33.9Very low102 Ų102138.1 Ų138.171%0.71377%0.77SS**SBendtrans-83.7-17.6-176.9580000114.8
1113Q35.6Very low34.3Very low155 Ų155135.3 Ų135.372%0.72477%0.768SS**SBendtrans-83.7-9.9-177.3-69.7-174.6-25.200114.4M1115Q1113-M1115 VanDerWaalsContact C-N 3.29Å; Q1113-M1115 PolarHBondContact O-N 3.08Å
1114F32.2Very low34.6Very low189 Ų189131.9 Ų131.983%0.82976%0.764SS**THydrogen-bonded Turntrans-81.112.2-170.9-102.6-78.2000116.5
1115M30.9Very low35Very low192 Ų192132.5 Ų132.595%0.94677%0.77SS**THydrogen-bonded Turntrans-126.915.8177.1-80.8-159.9-68.300115.2Q1113Q1113-M1115 VanDerWaalsContact C-N 3.29Å; Q1113-M1115 PolarHBondContact O-N 3.08Å
1116A29.3Very low35.1Very low81 Ų81133 Ų13367%0.66977%0.769SS**SBendtrans-146.3104.1172.200000112.1
1117C28.3Very low35.1Very low137 Ų137134.9 Ų134.993%0.92678%0.778SS**  trans151.9108.8147.9-85.80000111.5
1118E29.8Very low35.2Very low186 Ų186135.3 Ų135.387%0.86978%0.778SS**  trans-140.272.1151.3-165.4179.4173.400109.3
1119E31.9Very low35.3Very low191 Ų191137.2 Ų137.289%0.89378%0.783SS**  trans-126.5141.4159.5-73.1-164.4108.200108.3
1120L34Very low35.2Very low156 Ų156142.3 Ų142.382%0.81780%0.799SS**PPolyproline II helixtrans-83.4147.2-171.6-82.978.7000112.4
1121P37.6Very low35.2Very low121 Ų121138.8 Ų138.879%0.78680%0.803SS**PPolyproline II helixtrans-74.5143.6177.731.1-35.2000112.3
1122P37Very low35.4Very low135 Ų135138.6 Ų138.688%0.87780%0.804SS**PPolyproline II helixtrans-86.8157.7-179.434.8-36000113.7
1123G38.6Very low35.4Very low76 Ų76139.9 Ų139.978%0.78481%0.808SS**  trans-148.795.7175.600000113.6
1124A40.9Very low35.3Very low97 Ų97143.5 Ų143.580%0.80282%0.815SS**  trans11.8160.8140.500000122.1
1125P42Very low35.3Very low118 Ų118145.7 Ų145.777%0.76682%0.818SS**  cis-141.7-163.6-26.833.1-9.9000114.1
1126E36.1Very low35.5Very low162 Ų162144.4 Ų144.476%0.75781%0.814SS**  trans104.2129.9150.5-60.8-125.38100122.1
1127L35.2Very low35.7Very low153 Ų153145.1 Ų145.180%0.80181%0.814SS**  trans74.8126.6151.6-69.3162000121.9
1128P36.6Very low35.9Very low114 Ų114146.2 Ų146.274%0.7481%0.81SS**  trans-116.1167.1-177.742.7-34.3000115.1
1129Q37Very low36.5Very low173 Ų173143.4 Ų143.481%0.80881%0.808SS**  trans-162.5138.4146.7-118.2169.5-14.900114.7
1130E36.5Very low36.7Very low179 Ų179137.6 Ų137.684%0.83680%0.799SS**  trans42.8143.3146.8-69.5174.8-179.600125
1131G36.3Very low36.9Very low77 Ų77138.4 Ų138.479%0.79480%0.799SS**  trans119.395.5138.200000119.3
1132P40.1Very low36.8Very low116 Ų116140.5 Ų140.575%0.75380%0.802SS**  trans-103155.5172.836.7-31.5000114.7
1133T36.5Very low36.7Very low130 Ų130137.5 Ų137.580%0.79880%0.796SS**  151.2158.2128.5510000116.3
1134R34.3Very low36.5Very low231 Ų231138.4 Ų138.487%0.87280%0.796SS**  trans78.3108.9153.5-78.9174.2178.7-171.10.2122.4
1135R31.4Very low36.2Very low235 Ų235142 Ų14289%0.88780%0.801SS**  23135.7126.6-62.6-175.1178.2-163.60.3120.7
1136L35.4Very low35.8Very low165 Ų165142.3 Ų142.386%0.86480%0.801SS**  trans145.3145.6136.7-80.8159.2000108
1137S34.2Very low35.7Very low96 Ų96140.4 Ų140.467%0.67181%0.806SS**  cis170.8161.6-19.646.90000106.1
1138L33.5Very low35.6Very low159 Ų159140.1 Ų140.183%0.83280%0.8SS**  trans-51.8155.9-177.5-10175.2000116.6
1139P40.7Very low35.7Very low128 Ų128141.3 Ų141.383%0.83181%0.808SS**  -123.4167.389.126.9-12.3000112.3
1140G36.8Very low35.7Very low68 Ų68139.7 Ų139.770%0.70180%0.804SS**  cis109.9150.941.300000108.7
1141Q37.9Very low35.6Very low174 Ų174139.1 Ų139.181%0.81380%0.801SS**  cis-169.4162.32.6-171-1760.500109
1142L35.4Very low35.7Very low164 Ų164147.2 Ų147.286%0.85981%0.808SS**  trans67155.4175.2-58.1115.9000116.3
1143G36.1Very low35.5Very low73 Ų73150.4 Ų150.475%0.75381%0.812SS**  cis-168.9162.2-4.400000110.9
1144A34.5Very low35.6Very low95 Ų95147.4 Ų147.479%0.78581%0.807SS**  trans-99.2157.2-174.700000113.2
1145L34.1Very low35.8Very low172 Ų172142 Ų14290%0.90181%0.805SS**  trans179.1164130.8-98.5164000113.5
1146T32.7Very low36Very low125 Ų125138.2 Ų138.277%0.76780%0.802SS**  trans-98.5142.7177.950.80000112.4
1147S34.7Very low36.5Very low122 Ų122136.4 Ų136.485%0.85380%0.8SS**  trans-173.6164.2147.9490000115.4
1148Q33.9Very low36.8Very low147 Ų147135.1 Ų135.169%0.68780%0.802SS**  trans-43.2155.6178-59.7158.6-2200118L1150Q1148-L1150 PolarHBondContact O-N 2.92Å
1149P38.4Very low36.9Very low139 Ų139137.1 Ų137.190%0.90383%0.83SS**  trans-79.2103.9153.333-28.7000109.9
1150L37.2Very low36.7Very low139 Ų139137.6 Ų137.673%0.72883%0.83SS**  trans-103.6144.3179.8-128.8174.6000111.5Q1148Q1148-L1150 PolarHBondContact O-N 2.92Å
1151H34.3Very low36.7Very low167 Ų167141.3 Ų141.377%0.77384%0.836SS**  trans-51.3144.6174.5-106.5-113.8000112.6
1152R38.1Very low36.7Very low246 Ų246139.4 Ų139.493%0.92884%0.838SS**  trans-140.3123.9155.4-144.3170.8-168165.34.9112
1153H35.7Very low36.8Very low183 Ų183138 Ų13885%0.84784%0.836SS**  trans-76.8157171.3-94.1-96.4000111.6
1154G37.8Very low36.8Very low68 Ų68142.1 Ų142.170%0.70184%0.842SS**  trans134.9135.5162.600000111.6
1155S39.4Very low36.9Very low116 Ų116145.2 Ų145.281%0.81185%0.845SS**  cis-176.7152.4-13.431.50000106.6
1156D34.4Very low37.2Very low157 Ų157143.3 Ų143.384%0.8484%0.841SS**  trans-58.6156.2173.1-57.1-70.9000111.6
1157P46.9Very low37.5Very low127 Ų127144.7 Ų144.783%0.82585%0.847SS**  -131.7143.796.937-29.5000113.2
1158G40.4Very low37.7Very low69 Ų69146.6 Ų146.671%0.71185%0.847SS**  trans-87.5146.6173.700000113.3
1159S36.3Very low38.1Very low201 Ų201146.5 Ų146.5100%1.40686%0.861SS**  trans-157.10157-71.30000108.3

Retrieved 1,159 of 1,159 residues in 335.6 ms (Link to these results)