A0A090N8Q0_HUMAN Loading...

Voltage-gated inwardly rectifying potassium channel KCNH2

AlphaFold DB (Q12809), UniProt , Accession A0A090N8Q0, 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 237.7 ms (Link to these results)

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