A0A096MYR9_PAPAN Loading...

Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1

Controls the flux of glucose into the hexosamine pathway. Most likely involved in regulating the availability of precursors for N- and O-linked glycosylation of proteins. Regulates the circadian expression of clock genes BMAL1 and CRY1. Has a role in fine tuning the metabolic fluctuations of cytosolic UDP-GlcNAc and its effects on hyaluronan synthesis that occur during tissue remodeling.

AlphaFold DB , UniProt , Accession A0A096MYR9, Species PAPAN (Papio anubis, Olive baboon), Gene GFPT1, Length 699 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
1M63.4Low93.8Very high11 Ų1112.1 Ų12.15%0.0546%0.058CC..  0165.70-163.6-171.2-92.700109.6R33 W96 E443 S695 T697M1-R33 CarbonylContact C-O 3.59Å; M1-R33 HydrophobicContact CB-CB 4.47Å; M1-R33 CarbonylContact O-C 3.54Å; M1-R33 VanDerWaalsContact O-C 3.24Å; M1-R33 PolarHBondContact SD-NH1 3.03Å; M1-W96 VanDerWaalsContact N-CZ3 3.32Å; M1-E443 HydrophobicContact CE-CB 4.1Å; M1-E443 HydrophobicContact CE-CG 4.43Å; M1-S695 WeakPolarHBondContact CB-OG 3.25Å; M1-S695 PolarHBondContact N-O 2.71Å; M1-T697 HydrophobicContact CE-CG2 3.06Å; M1-T697 HydrophobicContact CG-CG2 4.4Å; M1-T697 WeakPolarHBondContact CG-OG1 3.34Å; M1-T697 HydrophobicContact SD-CG2 4.44Å
2C87.4Confident94.1Very high18 Ų1813.1 Ų13.112%0.1227%0.065CC..  trans-112.2171.8174-67.90000109.8T94 W96 N123C2-T94 CarbonylContact C-O 3.37Å; C2-T94 WeakPolarHBondContact CA-O 3.47Å; C2-T94 VanDerWaalsContact CB-O 3.24Å; C2-T94 WeakPolarHBondContact CB-O 2.82Å; C2-W96 PolarHBondContact SG-N 3.38Å; C2-W96 PolarHBondContact SG-O 2.99Å; C2-N123 WeakPolarHBondContact CB-OD1 3.28Å; C2-N123 PolarHBondContact O-ND2 3.38Å
3G94.4Very high94.4Very high0 Ų016.9 Ų16.90%09%0.091CC..EExtended strand (participates in β ladder)trans-117.1124.517800000112.2H93 T94G3-H93 CarbonylContact O-C 3.6Å; G3-H93 VanDerWaalsContact O-CA 3.26Å; G3-H93 WeakPolarHBondContact O-CA 3.19Å; G3-H93 PolarHBondContact O-CD2 3.12Å; G3-T94 WeakPolarHBondContact CA-OG1 3.42Å; G3-T94 PolarHBondContact N-O 3.28Å; G3-T94 PolarHBondContact N-OG1 3.19Å; G3-T94 PolarHBondContact O-N 3.23Å
4I98Very high94.7Very high0 Ų020.4 Ų20.40%010%0.103CC..EExtended strand (participates in β ladder)trans-103.9133169.7-78.7170000108.8L30 I121 N123 A186 V188 L207 A278 S279I4-L30 WeakPolarHBondContact O-CD1 3.17Å; I4-I121 HydrophobicContact CB-CD1 4.25Å; I4-I121 HydrophobicContact CG1-CB 4.49Å; I4-I121 HydrophobicContact CG1-CD1 4.07Å; I4-I121 HydrophobicContact CG1-CG1 4.2Å; I4-I121 HydrophobicContact CG2-CD1 3.73Å; I4-I121 HydrophobicContact CG2-CG1 4.42Å; I4-N123 HydrophobicContact CD1-CB 3.99Å; I4-A186 HydrophobicContact CD1-CB 4.15Å; I4-A186 WeakPolarHBondContact CD1-O 3.38Å; I4-V188 HydrophobicContact CG2-CG2 3.77Å; I4-L207 HydrophobicContact CG2-CD1 4.08Å; I4-A278 VanDerWaalsContact O-CA 3.26Å; I4-A278 WeakPolarHBondContact O-CA 3.34Å; I4-S279 PolarHBondContact N-OG 3.31Å; I4-S279 PolarHBondContact O-N 3.35Å
5F98.6Very high94.9Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-141.5138.1166.2-175.2-104.8000110.4T22 L23 L27 L30 A92 Y276 F277 A278 A283 Y287F5-T22 HydrophobicContact CE1-CG2 4.16Å; F5-T22 WeakPolarHBondContact CE1-O 3.41Å; F5-T22 HydrophobicContact CZ-CG2 4.26Å; F5-L23 HydrophobicContact CD1-CD2 3.99Å; F5-L23 HydrophobicContact CE1-CD2 4.13Å; F5-L27 HydrophobicContact CB-CD2 4.29Å; F5-L30 HydrophobicContact CB-CD1 4.02Å; F5-A92 PolarHBondContact N-O 3.34Å; F5-A92 WeakPolarHBondContact O-CA 3.39Å; F5-A92 PolarHBondContact O-N 2.94Å; F5-Y276 HydrophobicContact CE2-CD1 4.3Å; F5-Y276 AromaticContact CZ-CD1 3.98Å; F5-Y276 HydrophobicContact CZ-CD1 3.98Å; F5-F277 CarbonylContact C-O 3.52Å; F5-F277 VanDerWaalsContact CA-O 3.24Å; F5-F277 WeakPolarHBondContact CA-O 3.28Å; F5-A278 HydrophobicContact CD2-CB 4.3Å; F5-A283 HydrophobicContact CD2-CB 3.68Å; F5-A283 HydrophobicContact CE2-CB 4.07Å; F5-A283 WeakPolarHBondContact CE2-O 3.47Å; F5-Y287 HydrophobicContact CE2-CE2 4.27Å; F5-Y287 AromaticContact CZ-CE2 3.84Å; F5-Y287 HydrophobicContact CZ-CE2 3.84Å
6A98.8Very high95.1Very high0 Ų019.6 Ų19.60%010%0.1CC..EExtended strand (participates in β ladder)trans-141.6144.5168.400000110.4L89 G90 I91 V188 Y276 F277A6-L89 HydrophobicContact CB-CD1 4.3Å; A6-G90 CarbonylContact C-O 3.52Å; A6-G90 WeakPolarHBondContact CA-O 3.26Å; A6-G90 VanDerWaalsContact CB-O 3.28Å; A6-G90 WeakPolarHBondContact CB-O 3.29Å; A6-I91 HydrophobicContact CB-CB 4.25Å; A6-I91 HydrophobicContact CB-CG2 3.82Å; A6-V188 HydrophobicContact CB-CG1 4.1Å; A6-Y276 CarbonylContact O-C 3.58Å; A6-Y276 WeakPolarHBondContact O-CA 3.45Å; A6-F277 HydrophobicContact CB-CB 4.02Å; A6-F277 HydrophobicContact CB-CD2 4.36Å; A6-F277 PolarHBondContact N-O 2.98Å; A6-F277 PolarHBondContact O-N 3.2Å
7Y98.8Very high95.3Very high3 Ų323.8 Ų23.81%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-121.4124.9178.3173.7-127.9000109.2N9 R14 I19 T22 G90 E274 Y276Y7-N9 HydrophobicContact CE1-CB 4.09Å; Y7-N9 HydrophobicContact CE2-CB 4.36Å; Y7-R14 HydrophobicContact CE1-CG 4.34Å; Y7-R14 PolarHBondContact OH-NE 3.2Å; Y7-I19 HydrophobicContact CE1-CG1 4.36Å; Y7-T22 HydrophobicContact CD1-CG2 3.81Å; Y7-T22 HydrophobicContact CD2-CG2 4.19Å; Y7-T22 HydrophobicContact CE1-CG2 4.28Å; Y7-T22 HydrophobicContact CG-CG2 3.74Å; Y7-G90 PolarHBondContact N-O 3.11Å; Y7-G90 PolarHBondContact O-N 3.3Å; Y7-E274 HydrophobicContact CE2-CB 4.09Å; Y7-E274 HydrophobicContact CE2-CG 4.02Å; Y7-E274 PolarHBondContact OH-OE1 3.13Å; Y7-Y276 AromaticContact CD2-CD1 3.79Å; Y7-Y276 HydrophobicContact CD2-CD1 3.79Å; Y7-Y276 AromaticContact CD2-CE1 3.33Å; Y7-Y276 HydrophobicContact CD2-CE1 3.33Å; Y7-Y276 AromaticContact CD2-CZ 3.91Å; Y7-Y276 HydrophobicContact CE2-CD1 4.44Å; Y7-Y276 AromaticContact CE2-CE1 3.58Å; Y7-Y276 HydrophobicContact CE2-CE1 3.58Å; Y7-Y276 AromaticContact CE2-CZ 3.72Å; Y7-Y276 HydrophobicContact CG-CE1 4.35Å
8L98.8Very high95.4Very high0 Ų026.3 Ų26.30%013%0.126CC..EExtended strand (participates in β ladder)trans-120.5111.6174.1-166.6166.1000108.3H88 L89 A198 E274 Y275 V302L8-H88 VanDerWaalsContact CA-O 3.3Å; L8-H88 WeakPolarHBondContact CA-O 3.49Å; L8-L89 HydrophobicContact CB-CD1 3.98Å; L8-L89 HydrophobicContact CD1-CD1 4.31Å; L8-L89 HydrophobicContact CG-CB 4.45Å; L8-L89 HydrophobicContact CG-CD1 4.35Å; L8-A198 HydrophobicContact CD1-CB 3.86Å; L8-E274 CarbonylContact O-C 3.53Å; L8-E274 VanDerWaalsContact O-CA 3.3Å; L8-E274 WeakPolarHBondContact O-CA 3.43Å; L8-Y275 HydrophobicContact CD2-CD2 4.34Å; L8-Y275 PolarHBondContact N-O 2.84Å; L8-Y275 PolarHBondContact O-N 2.93Å; L8-V302 HydrophobicContact CD1-CB 3.93Å; L8-V302 HydrophobicContact CD1-CG1 3.72Å; L8-V302 HydrophobicContact CD1-CG2 4.49Å; L8-V302 HydrophobicContact CD2-CG1 4.44Å
9N98.4Very high95.6Very high0 Ų025 Ų250%012%0.12CC..EExtended strand (participates in β ladder)trans-95.5126.9167.558.1-67.8000109Y7 V12 R14 F85 V87 H88 E274Y7-N9 HydrophobicContact CE1-CB 4.09Å; Y7-N9 HydrophobicContact CE2-CB 4.36Å; N9-V12 HydrophobicContact CB-CB 4.27Å; N9-V12 WeakPolarHBondContact CB-O 3.34Å; N9-V12 PolarHBondContact ND2-O 3.42Å; N9-R14 HydrophobicContact CB-CG 4.26Å; N9-F85 PolarHBondContact ND2-O 3.16Å; N9-V87 VanDerWaalsContact O-CA 3.29Å; N9-V87 WeakPolarHBondContact O-CA 3.45Å; N9-H88 PolarHBondContact N-O 3.37Å; N9-H88 PolarHBondContact O-N 2.91Å; N9-H88 WeakPolarHBondContact OD1-CB 3.21Å; N9-H88 PolarHBondContact OD1-O 3.48Å; N9-E274 HydrophobicContact CB-CG 4.49Å
10Y98Very high95.7Very high29 Ų2924.2 Ų24.211%0.11412%0.116CC..EExtended strand (participates in β ladder)trans-125.7110.8-179.4-168.7-93.8000109.8V12 V87 K271 A272 V273 D304 G305Y10-V12 PolarHBondContact O-N 2.94Å; Y10-V87 HydrophobicContact CD2-CB 4.38Å; Y10-V87 HydrophobicContact CD2-CG1 3.61Å; Y10-V87 HydrophobicContact CD2-CG2 3.84Å; Y10-V87 HydrophobicContact CE2-CG1 4.04Å; Y10-V87 HydrophobicContact CE2-CG2 3.99Å; Y10-V87 HydrophobicContact CG-CG2 4.39Å; Y10-K271 HydrophobicContact CD1-CB 4.46Å; Y10-K271 WeakPolarHBondContact CD1-O 3.25Å; Y10-K271 HydrophobicContact CE1-CB 4.21Å; Y10-A272 WeakPolarHBondContact O-CA 3.35Å; Y10-V273 HydrophobicContact CD1-CG1 4.33Å; Y10-V273 PolarHBondContact N-O 2.83Å; Y10-V273 PolarHBondContact O-N 2.81Å; Y10-D304 VanDerWaalsContact OH-C 3.3Å; Y10-D304 WeakPolarHBondContact OH-CA 3.34Å; Y10-D304 PolarHBondContact OH-O 2.99Å; Y10-G305 VanDerWaalsContact CD1-CA 3.44Å
11H97.4Very high95.8Very high72 Ų7227.6 Ų27.633%0.33313%0.132SC..EExtended strand (participates in β ladder)trans51.736.8-168.4-69.9-71.1000112.9D86 K271H11-D86 WeakPolarHBondContact CA-O 3.31Å; H11-D86 PolarHBondContact N-O 3.08Å; H11-K271 HydrophobicContact CB-CB 4.04Å; H11-K271 VanDerWaalsContact CD2-CB 3.44Å; H11-K271 WeakPolarHBondContact CD2-CB 3.35Å; H11-K271 VanDerWaalsContact CD2-CD 3.43Å; H11-K271 WeakPolarHBondContact CD2-CD 3.37Å; H11-K271 WeakPolarHBondContact NE2-CD 3.46Å
12V97.6Very high97.5Very high24 Ų2428 Ų2815%0.14514%0.135CC..EExtended strand (participates in β ladder)trans-126.395.9169.3178.90000105.1N9 Y10 R14 D86 A272 E274N9-V12 HydrophobicContact CB-CB 4.27Å; N9-V12 WeakPolarHBondContact CB-O 3.34Å; N9-V12 PolarHBondContact ND2-O 3.42Å; Y10-V12 PolarHBondContact O-N 2.94Å; V12-R14 PolarHBondContact O-N 3.2Å; V12-D86 PolarHBondContact N-O 3.15Å; V12-A272 HydrophobicContact CG2-CB 3.93Å; V12-E274 HydrophobicContact CB-CG 4.19Å; V12-E274 HydrophobicContact CG1-CG 4.21Å; V12-E274 HydrophobicContact CG2-CG 4.07Å
13P97.7Very high98Very high63 Ų6327.2 Ų27.241%0.40913%0.13SC..EExtended strand (participates in β ladder)trans-58.6129.3-174.5-23.132.2000111.1E84 F85 D86P13-E84 HydrophobicContact CB-CG 3.86Å; P13-F85 WeakPolarHBondContact CA-O 3.27Å; P13-D86 WeakPolarHBondContact CG-OD1 3.42Å
14R98.2Very high98.2Very high66 Ų6627.4 Ų27.425%0.24913%0.131CC..EExtended strand (participates in β ladder)trans-139.3139176.8-67.7-64.1-177.3-159.9-9110.4Y7 N9 V12 E18 I19 F85 E274Y7-R14 HydrophobicContact CE1-CG 4.34Å; Y7-R14 PolarHBondContact OH-NE 3.2Å; N9-R14 HydrophobicContact CB-CG 4.26Å; V12-R14 PolarHBondContact O-N 3.2Å; R14-E18 WeakPolarHBondContact CA-OE2 3.49Å; R14-E18 IonicContact NH1-OE1 3.82Å; R14-I19 HydrophobicContact CB-CD1 4.13Å; R14-I19 HydrophobicContact CB-CG1 3.8Å; R14-F85 PolarHBondContact N-O 2.86Å; R14-F85 PolarHBondContact O-N 3.29Å; R14-E274 IonicContact NE-OE1 3.95Å; R14-E274 IonicContact NH2-OE1 3.61Å
15T98.4Very high98.2Very high27 Ų2731.3 Ų31.317%0.16615%0.148CC..EExtended strand (participates in β ladder)trans-70.4153.3170.360.80000110.6R17 E18 I19 I83T15-R17 PolarHBondContact O-N 2.81Å; T15-E18 PolarHBondContact N-OE2 2.94Å; T15-E18 PolarHBondContact O-N 2.95Å; T15-E18 VanDerWaalsContact O-N 3.09Å; T15-E18 VanDerWaalsContact OG1-CG 3.24Å; T15-E18 WeakPolarHBondContact OG1-CG 3.46Å; T15-E18 PolarHBondContact OG1-N 3.37Å; T15-E18 PolarHBondContact OG1-OE2 3.38Å; T15-I19 WeakPolarHBondContact O-CG1 3.4Å; T15-I19 PolarHBondContact O-N 2.75Å; T15-I83 CarbonylContact C-O 3.52Å; T15-I83 VanDerWaalsContact CA-O 3.3Å; T15-I83 WeakPolarHBondContact CA-O 3.24Å
16R98.2Very high98.1Very high1 Ų131.3 Ų31.30%0.00415%0.148CC..Hα-helixtrans-54.6-35.6172.4179.9176.5-71.4152.8-8.2111.7I19 L20 F42 D43 G44 G45 N46 M79 D80 L81 I83 F85R16-I19 PolarHBondContact O-N 2.96Å; R16-L20 HydrophobicContact CG-CD1 3.77Å; R16-L20 HydrophobicContact CG-CG 4.38Å; R16-L20 WeakPolarHBondContact O-CB 3.39Å; R16-L20 WeakPolarHBondContact O-CD1 3.36Å; R16-L20 VanDerWaalsContact O-CG 3.28Å; R16-L20 WeakPolarHBondContact O-CG 3.42Å; R16-L20 PolarHBondContact O-N 3.27Å; R16-F42 HydrophobicContact CG-CE2 4.5Å; R16-D43 PolarHBondContact NE-O 3.03Å; R16-D43 PolarHBondContact NH2-O 3.46Å; R16-G44 VanDerWaalsContact NH2-C 3.3Å; R16-G44 PolarHBondContact NH2-O 3.01Å; R16-G45 VanDerWaalsContact CZ-O 3.28Å; R16-G45 PolarHBondContact NH1-O 2.71Å; R16-G45 PolarHBondContact NH2-O 3.35Å; R16-N46 PolarHBondContact NH1-OD1 3.47Å; R16-M79 VanDerWaalsContact CZ-CE 3.44Å; R16-M79 VanDerWaalsContact NH1-CE 3.35Å; R16-D80 WeakPolarHBondContact CD-O 3.49Å; R16-D80 PolarHBondContact NH1-O 3.1Å; R16-L81 HydrophobicContact CG-CD2 4.26Å; R16-L81 PolarHBondContact N-O 3.43Å; R16-I83 PolarHBondContact N-O 3.28Å; R16-F85 HydrophobicContact CB-CE2 4.23Å
17R97.6Very high97.9Very high90 Ų9031.3 Ų31.334%0.3415%0.148SC..Hα-helixtrans-56.1-56.7172.2-172.3179.2-64.2110.64.4111.8T15 I19 L20 E21 L81 D82T15-R17 PolarHBondContact O-N 2.81Å; R17-I19 VanDerWaalsContact C-N 3.28Å; R17-I19 PolarHBondContact O-N 2.85Å; R17-L20 PolarHBondContact O-N 3.04Å; R17-E21 HydrophobicContact CG-CG 4.43Å; R17-E21 WeakPolarHBondContact CG-OE1 3.44Å; R17-E21 WeakPolarHBondContact O-CB 3.5Å; R17-E21 WeakPolarHBondContact O-CG 3.49Å; R17-E21 PolarHBondContact O-N 3.21Å; R17-L81 HydrophobicContact CB-CB 4.16Å; R17-L81 PolarHBondContact N-O 2.93Å; R17-D82 IonicContact CZ-OD1 3.15Å; R17-D82 IonicContact NH1-OD1 2.71Å; R17-D82 PolarHBondContact NH1-OD1 3.16Å; R17-D82 IonicContact NH2-OD1 2.76Å; R17-D82 PolarHBondContact NH2-OD1 3.28Å; R17-D82 IonicContact NH2-OD2 3.72Å
18E98.2Very high97.7Very high70 Ų7035.7 Ų35.733%0.32717%0.168SC..Hα-helixtrans-61.7-36.6-178.5-69.5166.3135.300112.4R14 T15 T22R14-E18 WeakPolarHBondContact CA-OE2 3.49Å; R14-E18 IonicContact NH1-OE1 3.82Å; T15-E18 PolarHBondContact N-OE2 2.94Å; T15-E18 PolarHBondContact O-N 2.95Å; T15-E18 VanDerWaalsContact O-N 3.09Å; T15-E18 VanDerWaalsContact OG1-CG 3.24Å; T15-E18 WeakPolarHBondContact OG1-CG 3.46Å; T15-E18 PolarHBondContact OG1-N 3.37Å; T15-E18 PolarHBondContact OG1-OE2 3.38Å; E18-T22 WeakPolarHBondContact O-CB 3.47Å; E18-T22 PolarHBondContact O-N 2.72Å; E18-T22 PolarHBondContact O-OG1 3.21Å
19I98.4Very high97.5Very high1 Ų137.9 Ų37.91%0.00518%0.177CC..Hα-helixtrans-61.7-51.4175.2-68.1163.9000109.9Y7 R14 T15 R16 R17 T22 L23 F85 H88Y7-I19 HydrophobicContact CE1-CG1 4.36Å; R14-I19 HydrophobicContact CB-CD1 4.13Å; R14-I19 HydrophobicContact CB-CG1 3.8Å; T15-I19 WeakPolarHBondContact O-CG1 3.4Å; T15-I19 PolarHBondContact O-N 2.75Å; R16-I19 PolarHBondContact O-N 2.96Å; R17-I19 VanDerWaalsContact C-N 3.28Å; R17-I19 PolarHBondContact O-N 2.85Å; I19-T22 WeakPolarHBondContact O-CB 3.48Å; I19-T22 PolarHBondContact O-N 3.16Å; I19-L23 WeakPolarHBondContact O-CG 3.35Å; I19-L23 PolarHBondContact O-N 2.77Å; I19-F85 HydrophobicContact CD1-CB 4.17Å; I19-F85 HydrophobicContact CD1-CD2 4.22Å; I19-F85 HydrophobicContact CD1-CG 4.4Å; I19-H88 HydrophobicContact CD1-CB 3.92Å
20L98.3Very high97.2Very high8 Ų837.9 Ų37.94%0.04218%0.177CC..Hα-helixtrans-65-41.3-179.1-71.4165.5000111.8R16 R17 T22 L23 I24 V40 F42 V73 L81R16-L20 HydrophobicContact CG-CD1 3.77Å; R16-L20 HydrophobicContact CG-CG 4.38Å; R16-L20 WeakPolarHBondContact O-CB 3.39Å; R16-L20 WeakPolarHBondContact O-CD1 3.36Å; R16-L20 VanDerWaalsContact O-CG 3.28Å; R16-L20 WeakPolarHBondContact O-CG 3.42Å; R16-L20 PolarHBondContact O-N 3.27Å; R17-L20 PolarHBondContact O-N 3.04Å; L20-T22 VanDerWaalsContact C-N 3.3Å; L20-T22 PolarHBondContact O-N 3.26Å; L20-L23 PolarHBondContact O-N 2.76Å; L20-I24 WeakPolarHBondContact O-CB 3.42Å; L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.28Å; L20-I24 PolarHBondContact O-N 3.14Å; L20-V40 HydrophobicContact CD2-CG2 4.35Å; L20-F42 HydrophobicContact CD1-CE2 4.38Å; L20-F42 HydrophobicContact CD1-CZ 4.41Å; L20-F42 HydrophobicContact CD2-CD1 3.7Å; L20-F42 HydrophobicContact CD2-CD2 4.36Å; L20-F42 HydrophobicContact CD2-CE1 3.71Å; L20-F42 HydrophobicContact CD2-CE2 4.32Å; L20-F42 HydrophobicContact CD2-CG 4.05Å; L20-F42 HydrophobicContact CD2-CZ 4.03Å; L20-V73 HydrophobicContact CB-CG1 4.13Å; L20-V73 HydrophobicContact CD1-CG1 3.73Å; L20-V73 HydrophobicContact CD2-CG1 4.16Å; L20-V73 HydrophobicContact CG-CG1 4.23Å; L20-L81 HydrophobicContact CD1-CD2 3.81Å
21E97.9Very high96.8Very high96 Ų9637.8 Ų37.845%0.44918%0.177SC..Hα-helixtrans-58.5-42.3173.3-74.3175.8-176.400111.5R17 I24 K25R17-E21 HydrophobicContact CG-CG 4.43Å; R17-E21 WeakPolarHBondContact CG-OE1 3.44Å; R17-E21 WeakPolarHBondContact O-CB 3.5Å; R17-E21 WeakPolarHBondContact O-CG 3.49Å; R17-E21 PolarHBondContact O-N 3.21Å; E21-I24 PolarHBondContact O-N 2.96Å; E21-K25 WeakPolarHBondContact O-CB 3.24Å; E21-K25 PolarHBondContact O-N 2.93Å
22T98.4Very high96.1Very high21 Ų2135.4 Ų35.413%0.12917%0.165CC..Hα-helixtrans-62.8-44.8176.2-61.30000111.4F5 Y7 E18 I19 L20 K25 G26 Y276 Y287F5-T22 HydrophobicContact CE1-CG2 4.16Å; F5-T22 WeakPolarHBondContact CE1-O 3.41Å; F5-T22 HydrophobicContact CZ-CG2 4.26Å; Y7-T22 HydrophobicContact CD1-CG2 3.81Å; Y7-T22 HydrophobicContact CD2-CG2 4.19Å; Y7-T22 HydrophobicContact CE1-CG2 4.28Å; Y7-T22 HydrophobicContact CG-CG2 3.74Å; E18-T22 WeakPolarHBondContact O-CB 3.47Å; E18-T22 PolarHBondContact O-N 2.72Å; E18-T22 PolarHBondContact O-OG1 3.21Å; I19-T22 WeakPolarHBondContact O-CB 3.48Å; I19-T22 PolarHBondContact O-N 3.16Å; L20-T22 VanDerWaalsContact C-N 3.3Å; L20-T22 PolarHBondContact O-N 3.26Å; T22-K25 PolarHBondContact O-N 3.3Å; T22-G26 PolarHBondContact O-N 2.95Å; T22-Y276 HydrophobicContact CG2-CE1 4.5Å; T22-Y287 HydrophobicContact CG2-CE1 4.14Å; T22-Y287 HydrophobicContact CG2-CE2 4.47Å; T22-Y287 WeakPolarHBondContact CG2-OH 3.1Å; T22-Y287 PolarHBondContact O-OH 3.35Å
23L98.4Very high95.4Very high0 Ų035 Ų350%016%0.161CC..Hα-helixtrans-62.6-48.4176.5-66-178.4000112.1F5 I19 L20 K25 G26 L27 V40 G90 A92F5-L23 HydrophobicContact CD1-CD2 3.99Å; F5-L23 HydrophobicContact CE1-CD2 4.13Å; I19-L23 WeakPolarHBondContact O-CG 3.35Å; I19-L23 PolarHBondContact O-N 2.77Å; L20-L23 PolarHBondContact O-N 2.76Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.32Å; L23-G26 PolarHBondContact O-N 2.88Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.47Å; L23-V40 HydrophobicContact CB-CG1 4.1Å; L23-V40 HydrophobicContact CD1-CB 4.25Å; L23-V40 HydrophobicContact CD1-CG1 4.15Å; L23-G90 WeakPolarHBondContact CD2-O 3.47Å; L23-A92 HydrophobicContact CB-CB 4.03Å; L23-A92 HydrophobicContact CD2-CB 4.13Å; L23-A92 HydrophobicContact CG-CB 4.47Å
24I98.1Very high94.7Very high5 Ų532 Ų323%0.02614%0.142CC..Hα-helixtrans-61.6-44.2179.1-68.7-62.7000110.6L20 E21 G26 L27 Q28 V66 L69 D70 V73L20-I24 WeakPolarHBondContact O-CB 3.42Å; L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.28Å; L20-I24 PolarHBondContact O-N 3.14Å; E21-I24 PolarHBondContact O-N 2.96Å; I24-G26 PolarHBondContact O-N 2.6Å; I24-L27 WeakPolarHBondContact O-CB 3.49Å; I24-L27 PolarHBondContact O-N 2.94Å; I24-L27 VanDerWaalsContact O-N 3.14Å; I24-Q28 HydrophobicContact CG2-CG 4.5Å; I24-Q28 WeakPolarHBondContact O-CG 3.41Å; I24-Q28 PolarHBondContact O-N 3.44Å; I24-V66 HydrophobicContact CG2-CG1 4.13Å; I24-L69 HydrophobicContact CD1-CD2 3.91Å; I24-L69 HydrophobicContact CD1-CG 3.98Å; I24-D70 HydrophobicContact CD1-CB 4.38Å; I24-D70 HydrophobicContact CG2-CB 3.94Å; I24-V73 HydrophobicContact CD1-CG2 4.42Å
25K97.1Very high94Very high81 Ų8130.3 Ų30.335%0.35214%0.136SC..Hα-helixtrans-63.3-41.9177.6-166.3174.1-179.4-144.10111.6E21 T22 L23 L27 Q28 R29 E286E21-K25 WeakPolarHBondContact O-CB 3.24Å; E21-K25 PolarHBondContact O-N 2.93Å; T22-K25 PolarHBondContact O-N 3.3Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.32Å; K25-L27 VanDerWaalsContact C-N 3.32Å; K25-L27 PolarHBondContact O-N 2.96Å; K25-Q28 WeakPolarHBondContact O-CB 3.45Å; K25-Q28 PolarHBondContact O-N 3.26Å; K25-R29 WeakPolarHBondContact O-CG 3.39Å; K25-R29 PolarHBondContact O-N 3.37Å; K25-R29 VanDerWaalsContact O-N 3.14Å; K25-E286 WeakPolarHBondContact CD-OE1 3.42Å; K25-E286 VanDerWaalsContact CE-CD 3.47Å; K25-E286 WeakPolarHBondContact CE-OE1 3.38Å; K25-E286 WeakPolarHBondContact CE-OE2 2.98Å; K25-E286 VanDerWaalsContact NZ-CD 3.28Å; K25-E286 IonicContact NZ-OE1 2.85Å; K25-E286 PolarHBondContact NZ-OE1 2.79Å; K25-E286 IonicContact NZ-OE2 3.94Å; K25-E286 PolarHBondContact NZ-OE2 3.45Å
26G96.6Very high93.5Very high0 Ų031.1 Ų31.10%014%0.139CC..Hα-helixtrans-56-44.4170.800000112.4T22 L23 I24 R29 L30T22-G26 PolarHBondContact O-N 2.95Å; L23-G26 PolarHBondContact O-N 2.88Å; I24-G26 PolarHBondContact O-N 2.6Å; G26-R29 WeakPolarHBondContact O-CB 3.38Å; G26-R29 PolarHBondContact O-N 2.89Å; G26-L30 WeakPolarHBondContact O-CG 3.44Å; G26-L30 PolarHBondContact O-N 3.19Å
27L96.5Very high93.3Very high0 Ų031.1 Ų31.10%014%0.139CC..Hα-helixtrans-66-38175.5-65.7-168.1000113.4F5 L23 I24 K25 R29 L30 E31 A38 V66 L69 A92 T94F5-L27 HydrophobicContact CB-CD2 4.29Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.47Å; I24-L27 WeakPolarHBondContact O-CB 3.49Å; I24-L27 PolarHBondContact O-N 2.94Å; I24-L27 VanDerWaalsContact O-N 3.14Å; K25-L27 VanDerWaalsContact C-N 3.32Å; K25-L27 PolarHBondContact O-N 2.96Å; L27-R29 PolarHBondContact O-N 3.4Å; L27-L30 CarbonylContact O-C 3.54Å; L27-L30 WeakPolarHBondContact O-CA 3.44Å; L27-L30 PolarHBondContact O-N 2.83Å; L27-E31 PolarHBondContact O-N 3.34Å; L27-A38 HydrophobicContact CD1-CB 4.24Å; L27-V66 HydrophobicContact CB-CG1 3.84Å; L27-V66 HydrophobicContact CB-CG2 3.88Å; L27-L69 HydrophobicContact CD1-CD2 3.93Å; L27-A92 HydrophobicContact CD1-CB 3.97Å; L27-A92 HydrophobicContact CD2-CB 3.67Å; L27-A92 HydrophobicContact CG-CB 3.78Å; L27-T94 HydrophobicContact CB-CG2 4.02Å; L27-T94 HydrophobicContact CD1-CG2 4.27Å; L27-T94 HydrophobicContact CD2-CG2 4.12Å; L27-T94 HydrophobicContact CG-CG2 4.36Å
28Q94.6Very high93.3Very high96 Ų9626.9 Ų26.945%0.44912%0.124SC..Hα-helixtrans-59.7-34.9174.8-70.3170.1-4.100111.5I24 K25 L30 V66I24-Q28 HydrophobicContact CG2-CG 4.5Å; I24-Q28 WeakPolarHBondContact O-CG 3.41Å; I24-Q28 PolarHBondContact O-N 3.44Å; K25-Q28 WeakPolarHBondContact O-CB 3.45Å; K25-Q28 PolarHBondContact O-N 3.26Å; Q28-L30 PolarHBondContact O-N 3.38Å; Q28-V66 HydrophobicContact CG-CG1 3.95Å
29R92.9Very high93.3Very high45 Ų4523.6 Ų23.617%0.1711%0.108CC..THydrogen-bonded Turntrans-70.5-14.1173.7-57.6-49-176.6-179.30.5114K25 G26 L27 Y32 S282 A283 E286 M335K25-R29 WeakPolarHBondContact O-CG 3.39Å; K25-R29 PolarHBondContact O-N 3.37Å; K25-R29 VanDerWaalsContact O-N 3.14Å; G26-R29 WeakPolarHBondContact O-CB 3.38Å; G26-R29 PolarHBondContact O-N 2.89Å; L27-R29 PolarHBondContact O-N 3.4Å; R29-Y32 WeakPolarHBondContact O-CD1 3.37Å; R29-Y32 WeakPolarHBondContact O-CE1 3.39Å; R29-S282 WeakPolarHBondContact CG-O 3.35Å; R29-S282 PolarHBondContact O-OG 3.04Å; R29-A283 HydrophobicContact CB-CB 4.06Å; R29-E286 IonicContact CZ-OE2 2.72Å; R29-E286 VanDerWaalsContact CZ-OE2 3.31Å; R29-E286 IonicContact NE-OE2 2.87Å; R29-E286 PolarHBondContact NE-OE2 3.19Å; R29-E286 IonicContact NH2-OE2 2.78Å; R29-E286 PolarHBondContact NH2-OE2 2.85Å; R29-M335 PolarHBondContact NH1-SD 2.97Å
30L93.1Very high93.3Very high0 Ų023.5 Ų23.50%011%0.108CC..THydrogen-bonded Turntrans-114.1-3.1-177.9-59175.1000113.1I4 F5 G26 L27 Q28 Y32 R33 D280 A283I4-L30 WeakPolarHBondContact O-CD1 3.17Å; F5-L30 HydrophobicContact CB-CD1 4.02Å; G26-L30 WeakPolarHBondContact O-CG 3.44Å; G26-L30 PolarHBondContact O-N 3.19Å; L27-L30 CarbonylContact O-C 3.54Å; L27-L30 WeakPolarHBondContact O-CA 3.44Å; L27-L30 PolarHBondContact O-N 2.83Å; Q28-L30 PolarHBondContact O-N 3.38Å; L30-Y32 PolarHBondContact O-N 3.47Å; L30-R33 WeakPolarHBondContact O-CB 3.27Å; L30-R33 PolarHBondContact O-N 3.23Å; L30-D280 HydrophobicContact CD2-CB 3.5Å; L30-A283 HydrophobicContact CD1-CB 4.05Å; L30-A283 HydrophobicContact CD2-CB 3.95Å; L30-A283 HydrophobicContact CG-CB 3.88Å
31E89.4Confident93.3Very high27 Ų2723.1 Ų23.113%0.12611%0.106CC..THydrogen-bonded Turntrans-60.5-31.3-174.4-164.1176.3-13000112.1L27 R33 G34 K65 V66 F688L27-E31 PolarHBondContact O-N 3.34Å; E31-R33 PolarHBondContact O-N 3.09Å; E31-G34 CarbonylContact O-C 3.46Å; E31-G34 PolarHBondContact O-N 3.46Å; E31-G34 VanDerWaalsContact O-O 3.1Å; E31-K65 WeakPolarHBondContact OE1-CB 3.36Å; E31-V66 HydrophobicContact CB-CG2 4.2Å; E31-V66 HydrophobicContact CG-CG2 3.92Å; E31-V66 WeakPolarHBondContact OE1-CB 3.39Å; E31-V66 WeakPolarHBondContact OE1-CG2 3.48Å; E31-V66 PolarHBondContact OE1-N 3.3Å; E31-F688 HydrophobicContact CB-CE1 4.21Å; E31-F688 HydrophobicContact CB-CZ 4.27Å; E31-F688 HydrophobicContact CG-CE1 3.71Å; E31-F688 HydrophobicContact CG-CZ 3.95Å; E31-F688 WeakPolarHBondContact OE2-CZ 3.4Å
32Y81.5Confident93.3Very high22 Ų2218.7 Ų18.79%0.0869%0.085CC..THydrogen-bonded Turntrans-63.7-19.4175.378.2-93.8000113.6R29 L30 D280 V488 K694R29-Y32 WeakPolarHBondContact O-CD1 3.37Å; R29-Y32 WeakPolarHBondContact O-CE1 3.39Å; L30-Y32 PolarHBondContact O-N 3.47Å; Y32-D280 VanDerWaalsContact OH-CG 3.26Å; Y32-D280 PolarHBondContact OH-OD2 3.03Å; Y32-V488 WeakPolarHBondContact CB-O 3.36Å; Y32-V488 HydrophobicContact CD1-CG1 3.81Å; Y32-V488 HydrophobicContact CG-CG1 3.84Å; Y32-K694 HydrophobicContact CD2-CB 3.93Å; Y32-K694 HydrophobicContact CD2-CD 3.57Å; Y32-K694 HydrophobicContact CD2-CG 4.36Å; Y32-K694 HydrophobicContact CE2-CB 4.36Å; Y32-K694 HydrophobicContact CE2-CD 3.52Å
33R83.3Confident93.3Very high16 Ų1618 Ų186%0.068%0.081CC..THydrogen-bonded Turntrans-81.3-36176.7-66.9-171.7159.9-147-13.7111.6M1 L30 E31 S279 D280 A693M1-R33 CarbonylContact C-O 3.59Å; M1-R33 HydrophobicContact CB-CB 4.47Å; M1-R33 CarbonylContact O-C 3.54Å; M1-R33 VanDerWaalsContact O-C 3.24Å; M1-R33 PolarHBondContact SD-NH1 3.03Å; L30-R33 WeakPolarHBondContact O-CB 3.27Å; L30-R33 PolarHBondContact O-N 3.23Å; E31-R33 PolarHBondContact O-N 3.09Å; R33-S279 PolarHBondContact NH1-O 3.24Å; R33-D280 IonicContact CZ-OD2 3.33Å; R33-D280 IonicContact NE-OD2 2.69Å; R33-D280 PolarHBondContact NE-OD2 2.81Å; R33-D280 VanDerWaalsContact NE-OD2 3.13Å; R33-D280 IonicContact NH1-OD2 2.72Å; R33-D280 IonicContact NH2-OD2 3.5Å; R33-D280 PolarHBondContact NH2-OD2 2.89Å; R33-A693 WeakPolarHBondContact O-CB 3.5Å
34G83.1Confident93.2Very high1 Ų118.1 Ų18.11%0.018%0.082CC..  trans-171.4145.1177.600000112.2E31 T94E31-G34 CarbonylContact O-C 3.46Å; E31-G34 PolarHBondContact O-N 3.46Å; E31-G34 VanDerWaalsContact O-O 3.1Å; G34-T94 VanDerWaalsContact O-CB 3.29Å; G34-T94 WeakPolarHBondContact O-CB 3.35Å
35Y83.9Confident93Very high29 Ų2918.8 Ų18.811%0.1149%0.09CC..  trans-15115.8-168.557.1-90.6000114.4S37 G64 F688 P689 L692Y35-S37 VanDerWaalsContact C-N 3.29Å; Y35-G64 CarbonylContact O-C 3.58Å; Y35-F688 AromaticContact CD1-CD1 3.6Å; Y35-F688 HydrophobicContact CD1-CD1 3.6Å; Y35-F688 HydrophobicContact CD1-CE1 4.15Å; Y35-F688 HydrophobicContact CD2-CD1 4.42Å; Y35-F688 HydrophobicContact CE1-CB 4.5Å; Y35-F688 AromaticContact CE1-CD1 3.87Å; Y35-F688 HydrophobicContact CE1-CD1 3.87Å; Y35-F688 HydrophobicContact CE2-CB 4.49Å; Y35-F688 AromaticContact CG-CD1 3.89Å; Y35-F688 HydrophobicContact CG-CD1 3.89Å; Y35-F688 HydrophobicContact CG-CE1 4.39Å; Y35-P689 PolarHBondContact OH-O 2.8Å; Y35-L692 WeakPolarHBondContact CE1-O 3.37Å; Y35-L692 PolarHBondContact OH-O 3.41Å
36D88.1Confident92.9Very high45 Ų4518.5 Ų18.524%0.2419%0.092CC..SBendtrans-70.5-31.6177.7-63.9-33.3000111.6G64 R95 W96 A97 P102D36-G64 WeakPolarHBondContact O-CA 3.32Å; D36-G64 PolarHBondContact O-N 2.9Å; D36-R95 WeakPolarHBondContact CB-O 3.4Å; D36-R95 PolarHBondContact N-O 2.67Å; D36-R95 VanDerWaalsContact N-O 3.09Å; D36-W96 WeakPolarHBondContact OD2-CA 3.48Å; D36-W96 VanDerWaalsContact OD2-CD1 3.31Å; D36-A97 PolarHBondContact OD2-N 3.01Å; D36-P102 HydrophobicContact CB-CB 3.95Å; D36-P102 HydrophobicContact CB-CG 3.86Å
37S94.1Very high92.9Very high0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-163.8161.5177.6570000111.2Y35 K62 G64 R95 S107Y35-S37 VanDerWaalsContact C-N 3.29Å; S37-K62 WeakPolarHBondContact CA-O 3.49Å; S37-K62 WeakPolarHBondContact CB-O 3.43Å; S37-G64 WeakPolarHBondContact CA-O 3.21Å; S37-R95 PolarHBondContact N-O 3.05Å; S37-R95 PolarHBondContact O-N 2.89Å; S37-S107 VanDerWaalsContact CB-OG 3.23Å; S37-S107 WeakPolarHBondContact CB-OG 3.36Å; S37-S107 PolarHBondContact OG-OG 3.49Å
38A97.4Very high92.7Very high2 Ų232 Ų322%0.01716%0.155CC..EExtended strand (participates in β ladder)trans-146.5163.1177.900000111.7L27 K62 V66 L69 H93 T94L27-A38 HydrophobicContact CD1-CB 4.24Å; A38-K62 PolarHBondContact N-O 3.12Å; A38-K62 PolarHBondContact O-N 3.1Å; A38-K62 VanDerWaalsContact O-O 3.12Å; A38-V66 HydrophobicContact CB-CG2 4.42Å; A38-L69 HydrophobicContact CB-CB 4.41Å; A38-L69 HydrophobicContact CB-CD2 3.72Å; A38-H93 CarbonylContact C-O 3.41Å; A38-H93 WeakPolarHBondContact CA-O 3.34Å; A38-H93 WeakPolarHBondContact CB-O 3.48Å; A38-T94 HydrophobicContact CB-CG2 4.07Å
39G98.1Very high92.7Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-163.5163.4173.600000114.2I60 A92 H93 H108G39-I60 CarbonylContact C-O 3.49Å; G39-I60 WeakPolarHBondContact CA-O 3.39Å; G39-A92 CarbonylContact O-C 3.58Å; G39-A92 WeakPolarHBondContact O-CA 3.21Å; G39-H93 PolarHBondContact N-O 2.87Å; G39-H93 PolarHBondContact O-N 2.8Å; G39-H108 VanDerWaalsContact CA-O 3.31Å; G39-H108 WeakPolarHBondContact CA-O 3.46Å
40V98.6Very high92.8Very high0 Ų031.4 Ų31.40%016%0.155CC..EExtended strand (participates in β ladder)trans-130.7150.6177.6-67.60000110.9L20 L23 F42 L59 I60 L69 V73 I91 A92L20-V40 HydrophobicContact CD2-CG2 4.35Å; L23-V40 HydrophobicContact CB-CG1 4.1Å; L23-V40 HydrophobicContact CD1-CB 4.25Å; L23-V40 HydrophobicContact CD1-CG1 4.15Å; V40-F42 HydrophobicContact CG2-CD1 4.12Å; V40-F42 HydrophobicContact CG2-CE1 4.02Å; V40-L59 WeakPolarHBondContact O-CA 3.41Å; V40-I60 HydrophobicContact CG2-CB 4.01Å; V40-I60 PolarHBondContact N-O 3.13Å; V40-I60 PolarHBondContact O-N 2.86Å; V40-L69 HydrophobicContact CG1-CD2 4.23Å; V40-V73 HydrophobicContact CG2-CG2 4.23Å; V40-I91 CarbonylContact C-O 3.52Å; V40-I91 WeakPolarHBondContact CA-O 3.39Å; V40-A92 HydrophobicContact CG1-CB 3.82Å
41G98.6Very high92.8Very high0 Ų037.5 Ų37.50%018%0.183CC..EExtended strand (participates in β ladder)trans-133.4128.9172.100000111.2Q58 I91G41-Q58 WeakPolarHBondContact CA-O 3.37Å; G41-I91 PolarHBondContact N-O 3.38Å; G41-I91 PolarHBondContact O-N 3.49Å
42F98.4Very high93.1Very high2 Ų238.2 Ų38.21%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-154.6167.1-171.659.6-82.4000110.5R16 L20 V40 G44 Q58 I60 M79R16-F42 HydrophobicContact CG-CE2 4.5Å; L20-F42 HydrophobicContact CD1-CE2 4.38Å; L20-F42 HydrophobicContact CD1-CZ 4.41Å; L20-F42 HydrophobicContact CD2-CD1 3.7Å; L20-F42 HydrophobicContact CD2-CD2 4.36Å; L20-F42 HydrophobicContact CD2-CE1 3.71Å; L20-F42 HydrophobicContact CD2-CE2 4.32Å; L20-F42 HydrophobicContact CD2-CG 4.05Å; L20-F42 HydrophobicContact CD2-CZ 4.03Å; V40-F42 HydrophobicContact CG2-CD1 4.12Å; V40-F42 HydrophobicContact CG2-CE1 4.02Å; F42-G44 PolarHBondContact O-N 2.88Å; F42-Q58 HydrophobicContact CE1-CB 4.41Å; F42-Q58 HydrophobicContact CE1-CG 4.31Å; F42-Q58 HydrophobicContact CE2-CB 4.2Å; F42-Q58 HydrophobicContact CE2-CG 4.42Å; F42-Q58 HydrophobicContact CZ-CB 4.1Å; F42-Q58 HydrophobicContact CZ-CG 3.92Å; F42-Q58 PolarHBondContact N-O 2.81Å; F42-Q58 VanDerWaalsContact N-O 3.1Å; F42-Q58 PolarHBondContact O-N 3.11Å; F42-I60 HydrophobicContact CE1-CD1 3.81Å; F42-I60 HydrophobicContact CE1-CG1 4.04Å; F42-I60 HydrophobicContact CZ-CD1 3.8Å; F42-I60 HydrophobicContact CZ-CG1 4.34Å; F42-M79 HydrophobicContact CD2-CE 4.48Å; F42-M79 HydrophobicContact CE2-CE 3.53Å; F42-M79 HydrophobicContact CZ-CE 4.19Å
43D98.3Very high93.8Very high7 Ų737.2 Ų37.24%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-70.9125177.8-59.5-43.3000111.5R16 K56 F85 H88 K190R16-D43 PolarHBondContact NE-O 3.03Å; R16-D43 PolarHBondContact NH2-O 3.46Å; D43-K56 CarbonylContact C-O 3.44Å; D43-K56 VanDerWaalsContact CA-O 3.31Å; D43-K56 WeakPolarHBondContact CA-O 3.37Å; D43-F85 HydrophobicContact CB-CE1 4.14Å; D43-H88 PolarHBondContact N-NE2 3.38Å; D43-H88 VanDerWaalsContact N-NE2 3.18Å; D43-H88 IonicContact OD2-CD2 3.15Å; D43-H88 PolarHBondContact OD2-CD2 3.26Å; D43-H88 IonicContact OD2-CG 3.82Å; D43-H88 IonicContact OD2-NE2 3.47Å; D43-H88 PolarHBondContact OD2-NE2 2.93Å; D43-K190 WeakPolarHBondContact OD1-CE 3.36Å; D43-K190 IonicContact OD1-NZ 3.2Å; D43-K190 PolarHBondContact OD1-NZ 3.25Å; D43-K190 IonicContact OD2-NZ 2.86Å; D43-K190 PolarHBondContact OD2-NZ 3.02Å
44G94.9Very high94.3Very high3 Ų336.9 Ų36.93%0.03119%0.191CC..  trans-86.5-160.1177.700000112.4R16 F42 N53 K56R16-G44 VanDerWaalsContact NH2-C 3.3Å; R16-G44 PolarHBondContact NH2-O 3.01Å; F42-G44 PolarHBondContact O-N 2.88Å; G44-N53 WeakPolarHBondContact O-CB 3.21Å; G44-K56 PolarHBondContact N-O 3.34Å
45G94.1Very high94.8Very high19 Ų1940.7 Ų40.720%0.19622%0.216CC..  trans76.7159.2-177.200000113.4R16R16-G45 VanDerWaalsContact CZ-O 3.28Å; R16-G45 PolarHBondContact NH1-O 2.71Å; R16-G45 PolarHBondContact NH2-O 3.35Å
46N95.7Very high95.4Very high74 Ų7445 Ų4540%0.39624%0.236SC..  trans-123.527.1-179.8-61.4-37.5000112.4R16 D78 D80 I83R16-N46 PolarHBondContact NH1-OD1 3.47Å; N46-D78 PolarHBondContact ND2-O 3.03Å; N46-D80 HydrophobicContact CB-CB 4.34Å; N46-D80 WeakPolarHBondContact OD1-CB 2.84Å; N46-D80 PolarHBondContact OD1-N 2.82Å; N46-I83 HydrophobicContact CB-CD1 4.07Å
47D96.1Very high95.9Very high84 Ų8443.4 Ų43.445%0.44923%0.227SC..  trans-69.5143.2173-153.6-50.5000109.4D49 A52 N53D47-D49 VanDerWaalsContact C-N 3.25Å; D47-D49 PolarHBondContact OD1-N 3.43Å; D47-A52 HydrophobicContact CB-CB 4.16Å; D47-N53 WeakPolarHBondContact CB-OD1 3.46Å; D47-N53 PolarHBondContact N-OD1 3.32Å; D47-N53 VanDerWaalsContact N-OD1 3.08Å; D47-N53 PolarHBondContact O-ND2 3.47Å
48K92.8Very high96.1Very high199 Ų19946.6 Ų46.687%0.86524%0.242SC*.SBendtrans-72.6-26.6176.1-66.5-175.8179.9-176.70111.3
49D94.6Very high96.2Very high80 Ų8047.5 Ų47.543%0.42825%0.246SC..SBendtrans-82.1114.3169.4-175.72.5000109.5D47 E51 A52 N53D47-D49 VanDerWaalsContact C-N 3.25Å; D47-D49 PolarHBondContact OD1-N 3.43Å; D49-E51 PolarHBondContact O-N 2.8Å; D49-E51 PolarHBondContact OD1-N 2.95Å; D49-E51 VanDerWaalsContact OD1-N 3.15Å; D49-A52 PolarHBondContact O-N 3.26Å; D49-N53 PolarHBondContact O-ND2 3.22Å
50W93.8Very high96.2Very high49 Ų4948 Ų4819%0.18625%0.248CC..Hα-helixtrans-65.9-27.6-176.572.6-99.5000112.4A52 N53 E84 F85 D86 V87W50-A52 VanDerWaalsContact C-N 3.31Å; W50-A52 PolarHBondContact O-N 3.22Å; W50-N53 WeakPolarHBondContact O-CB 3.42Å; W50-N53 PolarHBondContact O-N 3.12Å; W50-N53 VanDerWaalsContact O-N 3.17Å; W50-E84 WeakPolarHBondContact CB-O 3.36Å; W50-F85 HydrophobicContact CB-CB 4.42Å; W50-F85 HydrophobicContact CB-CD1 3.66Å; W50-F85 HydrophobicContact CB-CE1 4.05Å; W50-F85 HydrophobicContact CB-CG 4.09Å; W50-F85 HydrophobicContact CE3-CD1 4.42Å; W50-F85 HydrophobicContact CG-CD1 4.5Å; W50-D86 HydrophobicContact CZ2-CB 4.01Å; W50-D86 PolarHBondContact NE1-OD2 3.25Å; W50-D86 VanDerWaalsContact NE1-OD2 3.1Å; W50-V87 HydrophobicContact CH2-CB 3.55Å; W50-V87 HydrophobicContact CH2-CG2 3.82Å; W50-V87 HydrophobicContact CZ2-CB 4.24Å; W50-V87 HydrophobicContact CZ2-CG2 4.18Å; W50-V87 HydrophobicContact CZ3-CB 3.72Å; W50-V87 HydrophobicContact CZ3-CG2 4.48Å; W50-V87 WeakPolarHBondContact CZ3-O 3.37Å
51E94Very high96.1Very high129 Ų12949.6 Ų49.660%0.60326%0.256SS*.Hα-helixtrans-64.4-38.4-179.9-65.8-172167.200111.2D49 N53 A54D49-E51 PolarHBondContact O-N 2.8Å; D49-E51 PolarHBondContact OD1-N 2.95Å; D49-E51 VanDerWaalsContact OD1-N 3.15Å; E51-N53 PolarHBondContact O-N 3.09Å; E51-A54 PolarHBondContact O-N 3.39Å
52A95.5Very high96.1Very high41 Ų4151.9 Ų51.934%0.33927%0.265SS..Hα-helixtrans-67-24.717800000112.9D47 D49 W50 C55D47-A52 HydrophobicContact CB-CB 4.16Å; D49-A52 PolarHBondContact O-N 3.26Å; W50-A52 VanDerWaalsContact C-N 3.31Å; W50-A52 PolarHBondContact O-N 3.22Å; A52-C55 PolarHBondContact O-SG 3.3Å
53N95.9Very high95.9Very high2 Ų257.2 Ų57.21%0.01129%0.289CS..Hα-helixtrans-79.4-24.2-179.1-70-39.3000113.1G44 D47 D49 W50 E51 C55 K56 F85G44-N53 WeakPolarHBondContact O-CB 3.21Å; D47-N53 WeakPolarHBondContact CB-OD1 3.46Å; D47-N53 PolarHBondContact N-OD1 3.32Å; D47-N53 VanDerWaalsContact N-OD1 3.08Å; D47-N53 PolarHBondContact O-ND2 3.47Å; D49-N53 PolarHBondContact O-ND2 3.22Å; W50-N53 WeakPolarHBondContact O-CB 3.42Å; W50-N53 PolarHBondContact O-N 3.12Å; W50-N53 VanDerWaalsContact O-N 3.17Å; E51-N53 PolarHBondContact O-N 3.09Å; N53-C55 PolarHBondContact O-N 2.95Å; N53-K56 PolarHBondContact O-N 2.87Å; N53-F85 HydrophobicContact CB-CE1 3.92Å; N53-F85 HydrophobicContact CB-CZ 4.1Å
54A93.9Very high95.6Very high9 Ų958 Ų587%0.07430%0.299CS..THydrogen-bonded Turntrans-64.1-14.6-175.300000114.5E51 K56 P195E51-A54 PolarHBondContact O-N 3.39Å; A54-K56 VanDerWaalsContact C-N 3.28Å; A54-K56 PolarHBondContact O-N 2.78Å; A54-P195 HydrophobicContact CB-CB 3.72Å
55C94.8Very high95.5Very high81 Ų8161.5 Ų61.555%0.54731%0.313SS..THydrogen-bonded Turntrans-81.4-1.4174.969.80000114.2A52 N53 V192A52-C55 PolarHBondContact O-SG 3.3Å; N53-C55 PolarHBondContact O-N 2.95Å; C55-V192 WeakPolarHBondContact O-CG1 3.25Å
56K96.7Very high95.5Very high120 Ų12060.7 Ų60.752%0.52230%0.304SS..  trans-128.1121.1-177.4-65.3170.8-172.1168.40109.9D43 G44 N53 A54D43-K56 CarbonylContact C-O 3.44Å; D43-K56 VanDerWaalsContact CA-O 3.31Å; D43-K56 WeakPolarHBondContact CA-O 3.37Å; G44-K56 PolarHBondContact N-O 3.34Å; N53-K56 PolarHBondContact O-N 2.87Å; A54-K56 VanDerWaalsContact C-N 3.28Å; A54-K56 PolarHBondContact O-N 2.78Å
57I98.4Very high95.4Very high10 Ų1064 Ų645%0.05132%0.315CS..EExtended strand (participates in β ladder)trans-104128.2174.7-72.1174.2000109.9L59 N116 I119 K190 V192I57-L59 HydrophobicContact CG2-CD2 4.24Å; I57-N116 HydrophobicContact CB-CB 3.94Å; I57-N116 HydrophobicContact CG2-CB 3.93Å; I57-N116 PolarHBondContact O-ND2 2.81Å; I57-I119 HydrophobicContact CD1-CG1 4.39Å; I57-I119 HydrophobicContact CG2-CD1 3.77Å; I57-I119 HydrophobicContact CG2-CG1 4.41Å; I57-I119 HydrophobicContact CG2-CG2 4.1Å; I57-K190 HydrophobicContact CD1-CD 4.16Å; I57-K190 HydrophobicContact CD1-CG 3.95Å; I57-V192 HydrophobicContact CB-CG1 4.47Å; I57-V192 HydrophobicContact CD1-CG1 3.73Å; I57-V192 HydrophobicContact CG1-CG1 3.75Å
58Q98.2Very high95.4Very high68 Ų6861.2 Ų61.232%0.31830%0.304SS..EExtended strand (participates in β ladder)trans-101.3140.3171.2-175.35849.600110.3G41 F42 I60 M79G41-Q58 WeakPolarHBondContact CA-O 3.37Å; F42-Q58 HydrophobicContact CE1-CB 4.41Å; F42-Q58 HydrophobicContact CE1-CG 4.31Å; F42-Q58 HydrophobicContact CE2-CB 4.2Å; F42-Q58 HydrophobicContact CE2-CG 4.42Å; F42-Q58 HydrophobicContact CZ-CB 4.1Å; F42-Q58 HydrophobicContact CZ-CG 3.92Å; F42-Q58 PolarHBondContact N-O 2.81Å; F42-Q58 VanDerWaalsContact N-O 3.1Å; F42-Q58 PolarHBondContact O-N 3.11Å; Q58-I60 HydrophobicContact CG-CG1 4.49Å; Q58-M79 HydrophobicContact CG-SD 4.32Å
59L98.4Very high95.6Very high21 Ų2151.8 Ų51.811%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-118.1135.2173.5-62.2-178.8000109.9V40 I57 P109 R111 I119V40-L59 WeakPolarHBondContact O-CA 3.41Å; I57-L59 HydrophobicContact CG2-CD2 4.24Å; L59-P109 HydrophobicContact CD2-CB 3.98Å; L59-P109 HydrophobicContact CD2-CG 3.97Å; L59-R111 HydrophobicContact CD1-CB 4.18Å; L59-I119 HydrophobicContact CD1-CG2 4.33Å; L59-I119 HydrophobicContact CD2-CD1 3.86Å; L59-I119 HydrophobicContact CD2-CG2 4.19Å
60I98.2Very high95.7Very high9 Ų950 Ų505%0.04625%0.254CS..EExtended strand (participates in β ladder)trans-127.8118.5170.1-57.4175.8000107G39 V40 F42 Q58 L69 E72 V73 Q76G39-I60 CarbonylContact C-O 3.49Å; G39-I60 WeakPolarHBondContact CA-O 3.39Å; V40-I60 HydrophobicContact CG2-CB 4.01Å; V40-I60 PolarHBondContact N-O 3.13Å; V40-I60 PolarHBondContact O-N 2.86Å; F42-I60 HydrophobicContact CE1-CD1 3.81Å; F42-I60 HydrophobicContact CE1-CG1 4.04Å; F42-I60 HydrophobicContact CZ-CD1 3.8Å; F42-I60 HydrophobicContact CZ-CG1 4.34Å; Q58-I60 HydrophobicContact CG-CG1 4.49Å; I60-L69 HydrophobicContact CG2-CD1 3.88Å; I60-E72 HydrophobicContact CG2-CB 4.18Å; I60-E72 HydrophobicContact CG2-CG 3.77Å; I60-V73 HydrophobicContact CD1-CG2 4.15Å; I60-V73 HydrophobicContact CG2-CG2 4.23Å; I60-Q76 HydrophobicContact CD1-CG 3.61Å
61K97.9Very high95.8Very high35 Ų3551.7 Ų51.715%0.15226%0.263CS..EExtended strand (participates in β ladder)trans-135.3137.1-173.1-56.3-167.7-69.4172.50109.8P104 V105 S107 P109K61-P104 HydrophobicContact CB-CB 4.49Å; K61-P104 WeakPolarHBondContact CE-O 3.45Å; K61-P104 PolarHBondContact NZ-O 3.44Å; K61-P104 VanDerWaalsContact NZ-O 3.13Å; K61-V105 PolarHBondContact NZ-O 2.88Å; K61-S107 VanDerWaalsContact CD-O 3.28Å; K61-S107 WeakPolarHBondContact CD-O 3.42Å; K61-S107 PolarHBondContact NZ-O 2.86Å; K61-P109 WeakPolarHBondContact CD-O 3.47Å; K61-P109 PolarHBondContact NZ-O 3.48Å
62K96.7Very high95.9Very high47 Ų4748.3 Ų48.320%0.20425%0.248CC..EExtended strand (participates in β ladder)trans-146.4144.9-176.5-162.5152.9169.6-172.20112.4S37 A38 A68 L69 E72S37-K62 WeakPolarHBondContact CA-O 3.49Å; S37-K62 WeakPolarHBondContact CB-O 3.43Å; A38-K62 PolarHBondContact N-O 3.12Å; A38-K62 PolarHBondContact O-N 3.1Å; A38-K62 VanDerWaalsContact O-O 3.12Å; K62-A68 HydrophobicContact CD-CB 4.41Å; K62-A68 VanDerWaalsContact CD-O 3.25Å; K62-A68 WeakPolarHBondContact CD-O 3.35Å; K62-A68 VanDerWaalsContact CE-O 3.32Å; K62-A68 WeakPolarHBondContact CE-O 3.32Å; K62-A68 PolarHBondContact NZ-O 3.27Å; K62-L69 HydrophobicContact CB-CB 4.5Å; K62-L69 HydrophobicContact CB-CD1 4.25Å; K62-E72 HydrophobicContact CD-CB 3.63Å; K62-E72 HydrophobicContact CD-CG 3.89Å; K62-E72 WeakPolarHBondContact CE-OE2 3.26Å; K62-E72 IonicContact NZ-OE2 2.72Å; K62-E72 PolarHBondContact NZ-OE2 2.95Å
63K95.8Very high95.8Very high114 Ų11446.6 Ų46.650%0.49623%0.233SC..EExtended strand (participates in β ladder)trans-75.3141.8170.8-176.4-176.4-175.3147.70109.8P102K63-P102 WeakPolarHBondContact CD-O 3.45Å; K63-P102 WeakPolarHBondContact CE-O 3.42Å; K63-P102 HydrophobicContact CG-CB 4.31Å; K63-P102 PolarHBondContact NZ-O 3.12Å
64G91.9Very high95.6Very high25 Ų2551.3 Ų51.326%0.25826%0.255SS..SBendtrans101.7-169179.300000113.6Y35 D36 S37Y35-G64 CarbonylContact O-C 3.58Å; D36-G64 WeakPolarHBondContact O-CA 3.32Å; D36-G64 PolarHBondContact O-N 2.9Å; S37-G64 WeakPolarHBondContact CA-O 3.21Å
65K91.1Very high95.6Very high76 Ų7656.9 Ų56.933%0.3328%0.277SS..  trans-61.7160.5-178.4-66-165.7177.9-165.30112.5E31 K67 A68 D685E31-K65 WeakPolarHBondContact OE1-CB 3.36Å; K65-K67 PolarHBondContact O-N 2.76Å; K65-K67 VanDerWaalsContact O-N 3.17Å; K65-A68 WeakPolarHBondContact O-CB 3.33Å; K65-A68 PolarHBondContact O-N 3.24Å; K65-D685 IonicContact NZ-OD2 3.87Å; K65-D685 PolarHBondContact NZ-OD2 3.44Å
66V95.3Very high95.3Very high1 Ų156.1 Ų56.11%0.00627%0.266CS..Hα-helixtrans-57-33.8179.7178.30000111.5I24 L27 Q28 E31 A38 A68 L69 D70 T94I24-V66 HydrophobicContact CG2-CG1 4.13Å; L27-V66 HydrophobicContact CB-CG1 3.84Å; L27-V66 HydrophobicContact CB-CG2 3.88Å; Q28-V66 HydrophobicContact CG-CG1 3.95Å; E31-V66 HydrophobicContact CB-CG2 4.2Å; E31-V66 HydrophobicContact CG-CG2 3.92Å; E31-V66 WeakPolarHBondContact OE1-CB 3.39Å; E31-V66 WeakPolarHBondContact OE1-CG2 3.48Å; E31-V66 PolarHBondContact OE1-N 3.3Å; A38-V66 HydrophobicContact CB-CG2 4.42Å; V66-A68 VanDerWaalsContact C-N 3.25Å; V66-A68 PolarHBondContact O-N 2.9Å; V66-L69 WeakPolarHBondContact O-CB 3.46Å; V66-L69 PolarHBondContact O-N 3.06Å; V66-D70 PolarHBondContact O-N 3.04Å; V66-T94 HydrophobicContact CG2-CG2 3.49Å; V66-T94 VanDerWaalsContact CG2-CG2 3.49Å
67K93.7Very high94.9Very high144 Ų14459.8 Ų59.863%0.62628%0.284SS*.Hα-helixtrans-55.4-38.5173.6-174.6176.9178-179.50113.1K65 L69 D70 E71K65-K67 PolarHBondContact O-N 2.76Å; K65-K67 VanDerWaalsContact O-N 3.17Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-L69 PolarHBondContact O-N 2.95Å; K67-D70 PolarHBondContact O-N 3.26Å; K67-E71 WeakPolarHBondContact O-CG 3.43Å; K67-E71 PolarHBondContact O-N 3.47Å; K67-E71 VanDerWaalsContact O-N 3.08Å
68A94.9Very high94.5Very high26 Ų2665.2 Ų65.222%0.21531%0.314CS..Hα-helixtrans-68-36178.800000111.7K62 K65 V66 E72K62-A68 HydrophobicContact CD-CB 4.41Å; K62-A68 VanDerWaalsContact CD-O 3.25Å; K62-A68 WeakPolarHBondContact CD-O 3.35Å; K62-A68 VanDerWaalsContact CE-O 3.32Å; K62-A68 WeakPolarHBondContact CE-O 3.32Å; K62-A68 PolarHBondContact NZ-O 3.27Å; K65-A68 WeakPolarHBondContact O-CB 3.33Å; K65-A68 PolarHBondContact O-N 3.24Å; V66-A68 VanDerWaalsContact C-N 3.25Å; V66-A68 PolarHBondContact O-N 2.9Å; A68-E72 PolarHBondContact O-N 3.36Å
69L97.1Very high94.2Very high1 Ų162.8 Ų62.81%0.00530%0.303CS..Hα-helixtrans-67.6-44.1173.9177.867.2000111.2I24 L27 A38 V40 I60 K62 V66 K67 E71 E72 V73I24-L69 HydrophobicContact CD1-CD2 3.91Å; I24-L69 HydrophobicContact CD1-CG 3.98Å; L27-L69 HydrophobicContact CD1-CD2 3.93Å; A38-L69 HydrophobicContact CB-CB 4.41Å; A38-L69 HydrophobicContact CB-CD2 3.72Å; V40-L69 HydrophobicContact CG1-CD2 4.23Å; I60-L69 HydrophobicContact CG2-CD1 3.88Å; K62-L69 HydrophobicContact CB-CB 4.5Å; K62-L69 HydrophobicContact CB-CD1 4.25Å; V66-L69 WeakPolarHBondContact O-CB 3.46Å; V66-L69 PolarHBondContact O-N 3.06Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-L69 PolarHBondContact O-N 2.95Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.88Å; L69-E72 WeakPolarHBondContact O-CA 3.39Å; L69-E72 VanDerWaalsContact O-CB 3.27Å; L69-E72 WeakPolarHBondContact O-CB 3.36Å; L69-E72 PolarHBondContact O-N 3.21Å; L69-V73 HydrophobicContact CG-CG2 4.49Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 2.73Å
70D97Very high94.1Very high42 Ų4265.1 Ų65.123%0.22532%0.315CS..Hα-helixtrans-56.4-46.8176.9-176.230.7000111.8I24 V66 K67 E72 V73 H74I24-D70 HydrophobicContact CD1-CB 4.38Å; I24-D70 HydrophobicContact CG2-CB 3.94Å; V66-D70 PolarHBondContact O-N 3.04Å; K67-D70 PolarHBondContact O-N 3.26Å; D70-E72 PolarHBondContact O-N 3.41Å; D70-V73 PolarHBondContact O-N 3.34Å; D70-H74 PolarHBondContact O-N 3.12Å; D70-H74 PolarHBondContact O-ND1 3.26Å; D70-H74 IonicContact OD1-CE1 3.06Å; D70-H74 PolarHBondContact OD1-CE1 2.97Å; D70-H74 IonicContact OD1-ND1 3.16Å; D70-H74 PolarHBondContact OD1-ND1 3.14Å; D70-H74 VanDerWaalsContact OD1-ND1 3.16Å
71E95.5Very high93.9Very high84 Ų8466.2 Ų66.239%0.39332%0.321SS..Hα-helixtrans-61.6-30.7173-70.3174.9-162.300113.1K67 L69 K75K67-E71 WeakPolarHBondContact O-CG 3.43Å; K67-E71 PolarHBondContact O-N 3.47Å; K67-E71 VanDerWaalsContact O-N 3.08Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.88Å; E71-K75 WeakPolarHBondContact O-CB 3.43Å; E71-K75 VanDerWaalsContact O-CD 3.25Å; E71-K75 WeakPolarHBondContact O-CD 3.45Å; E71-K75 WeakPolarHBondContact O-CG 3.5Å; E71-K75 PolarHBondContact O-N 3.23Å; E71-K75 IonicContact OE2-NZ 3.84Å
72E96.1Very high93.9Very high59 Ų5969.2 Ų69.228%0.27634%0.339SS..Hα-helixtrans-75.3-37.2178.8-165.560.4-149.800112.5I60 K62 A68 L69 D70 H74 K75 Q76I60-E72 HydrophobicContact CG2-CB 4.18Å; I60-E72 HydrophobicContact CG2-CG 3.77Å; K62-E72 HydrophobicContact CD-CB 3.63Å; K62-E72 HydrophobicContact CD-CG 3.89Å; K62-E72 WeakPolarHBondContact CE-OE2 3.26Å; K62-E72 IonicContact NZ-OE2 2.72Å; K62-E72 PolarHBondContact NZ-OE2 2.95Å; A68-E72 PolarHBondContact O-N 3.36Å; L69-E72 WeakPolarHBondContact O-CA 3.39Å; L69-E72 VanDerWaalsContact O-CB 3.27Å; L69-E72 WeakPolarHBondContact O-CB 3.36Å; L69-E72 PolarHBondContact O-N 3.21Å; D70-E72 PolarHBondContact O-N 3.41Å; E72-H74 VanDerWaalsContact C-N 3.34Å; E72-K75 PolarHBondContact O-N 3.34Å; E72-Q76 PolarHBondContact O-NE2 3.41Å; E72-Q76 VanDerWaalsContact O-NE2 3.11Å
73V94.4Very high93.9Very high4 Ų467.5 Ų67.52%0.02433%0.332CS..Hα-helixtrans-61.3-45.6175.7171.30000110L20 I24 V40 I60 L69 D70 K75 Q76L20-V73 HydrophobicContact CB-CG1 4.13Å; L20-V73 HydrophobicContact CD1-CG1 3.73Å; L20-V73 HydrophobicContact CD2-CG1 4.16Å; L20-V73 HydrophobicContact CG-CG1 4.23Å; I24-V73 HydrophobicContact CD1-CG2 4.42Å; V40-V73 HydrophobicContact CG2-CG2 4.23Å; I60-V73 HydrophobicContact CD1-CG2 4.15Å; I60-V73 HydrophobicContact CG2-CG2 4.23Å; L69-V73 HydrophobicContact CG-CG2 4.49Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 2.73Å; D70-V73 PolarHBondContact O-N 3.34Å; V73-K75 VanDerWaalsContact C-N 3.27Å; V73-K75 PolarHBondContact O-N 3.16Å; V73-Q76 PolarHBondContact O-N 2.97Å
74H91.3Very high94Very high102 Ų10267.2 Ų67.247%0.47233%0.332SS..THydrogen-bonded Turntrans-75.1-11.5-179.6-6990000114.5D70 E72D70-H74 PolarHBondContact O-N 3.12Å; D70-H74 PolarHBondContact O-ND1 3.26Å; D70-H74 IonicContact OD1-CE1 3.06Å; D70-H74 PolarHBondContact OD1-CE1 2.97Å; D70-H74 IonicContact OD1-ND1 3.16Å; D70-H74 PolarHBondContact OD1-ND1 3.14Å; D70-H74 VanDerWaalsContact OD1-ND1 3.16Å; E72-H74 VanDerWaalsContact C-N 3.34Å
75K93.1Very high94.3Very high126 Ų12666.1 Ų66.155%0.54832%0.32SS..THydrogen-bonded Turntrans-90.3-8.3177.8-80170.2-172.7167.80113.7E71 E72 V73 Q77E71-K75 WeakPolarHBondContact O-CB 3.43Å; E71-K75 VanDerWaalsContact O-CD 3.25Å; E71-K75 WeakPolarHBondContact O-CD 3.45Å; E71-K75 WeakPolarHBondContact O-CG 3.5Å; E71-K75 PolarHBondContact O-N 3.23Å; E71-K75 IonicContact OE2-NZ 3.84Å; E72-K75 PolarHBondContact O-N 3.34Å; V73-K75 VanDerWaalsContact C-N 3.27Å; V73-K75 PolarHBondContact O-N 3.16Å; K75-Q77 PolarHBondContact O-N 3.36Å
76Q90.3Very high94.6Very high64 Ų6464.9 Ų64.930%0.29932%0.317SS..  trans-67.2115.1-179.2-61.3-56.8-47.700110.6I60 E72 V73 M79I60-Q76 HydrophobicContact CD1-CG 3.61Å; E72-Q76 PolarHBondContact O-NE2 3.41Å; E72-Q76 VanDerWaalsContact O-NE2 3.11Å; V73-Q76 PolarHBondContact O-N 2.97Å; Q76-M79 HydrophobicContact CB-CB 4.03Å; Q76-M79 HydrophobicContact CB-CG 3.83Å; Q76-M79 HydrophobicContact CG-CG 4.35Å
77Q87.8Confident94.7Very high197 Ų19765.4 Ų65.492%0.92132%0.321SS*.SBendtrans-82.1-23.6177.2-64.1-164.1-10.500113.1K75 M79K75-Q77 PolarHBondContact O-N 3.36Å; Q77-M79 VanDerWaalsContact C-N 3.33Å
78D89.4Confident95Very high124 Ų12458.6 Ų58.666%0.66329%0.291SS*.SBendtrans-85-6.8-177-166.853.1000113.1N46N46-D78 PolarHBondContact ND2-O 3.03Å
79M93.1Very high95.2Very high18 Ų1857.4 Ų57.49%0.08928%0.281CS..  trans-104.7113.7-175.8-63.5-52.8-63.900111R16 F42 Q58 Q76 Q77 L81R16-M79 VanDerWaalsContact CZ-CE 3.44Å; R16-M79 VanDerWaalsContact NH1-CE 3.35Å; F42-M79 HydrophobicContact CD2-CE 4.48Å; F42-M79 HydrophobicContact CE2-CE 3.53Å; F42-M79 HydrophobicContact CZ-CE 4.19Å; Q58-M79 HydrophobicContact CG-SD 4.32Å; Q76-M79 HydrophobicContact CB-CB 4.03Å; Q76-M79 HydrophobicContact CB-CG 3.83Å; Q76-M79 HydrophobicContact CG-CG 4.35Å; Q77-M79 VanDerWaalsContact C-N 3.33Å; M79-L81 HydrophobicContact CB-CD2 4.42Å; M79-L81 PolarHBondContact O-N 2.73Å
80D94.6Very high95.2Very high70 Ų7057.3 Ų57.337%0.37428%0.28SS..  trans-75.3118.1166.2-173.2-7.5000109.1R16 N46 D82 I83R16-D80 WeakPolarHBondContact CD-O 3.49Å; R16-D80 PolarHBondContact NH1-O 3.1Å; N46-D80 HydrophobicContact CB-CB 4.34Å; N46-D80 WeakPolarHBondContact OD1-CB 2.84Å; N46-D80 PolarHBondContact OD1-N 2.82Å; D80-D82 PolarHBondContact OD1-N 2.87Å; D80-I83 HydrophobicContact CB-CD1 3.91Å; D80-I83 HydrophobicContact CB-CG1 4.15Å
81L95.4Very high95.3Very high32 Ų3255.3 Ų55.317%0.16827%0.27CS..SBendtrans-87.7-11.2-176.2-60.2-177.7000113R16 R17 L20 M79R16-L81 HydrophobicContact CG-CD2 4.26Å; R16-L81 PolarHBondContact N-O 3.43Å; R17-L81 HydrophobicContact CB-CB 4.16Å; R17-L81 PolarHBondContact N-O 2.93Å; L20-L81 HydrophobicContact CD1-CD2 3.81Å; M79-L81 HydrophobicContact CB-CD2 4.42Å; M79-L81 PolarHBondContact O-N 2.73Å
82D96.6Very high95.5Very high98 Ų9851.3 Ų51.352%0.52425%0.251SS..  trans-92.1-1.7-174.5-64.3-43.3000113.1R17 D80 E84R17-D82 IonicContact CZ-OD1 3.15Å; R17-D82 IonicContact NH1-OD1 2.71Å; R17-D82 PolarHBondContact NH1-OD1 3.16Å; R17-D82 IonicContact NH2-OD1 2.76Å; R17-D82 PolarHBondContact NH2-OD1 3.28Å; R17-D82 IonicContact NH2-OD2 3.72Å; D80-D82 PolarHBondContact OD1-N 2.87Å; D82-E84 PolarHBondContact O-N 3.38Å
83I97.4Very high95.6Very high10 Ų1048.6 Ų48.65%0.05124%0.238CC..  trans-66.2128175.6-62.1171.9000109.9T15 R16 N46 D80 F85T15-I83 CarbonylContact C-O 3.52Å; T15-I83 VanDerWaalsContact CA-O 3.3Å; T15-I83 WeakPolarHBondContact CA-O 3.24Å; R16-I83 PolarHBondContact N-O 3.28Å; N46-I83 HydrophobicContact CB-CD1 4.07Å; D80-I83 HydrophobicContact CB-CD1 3.91Å; D80-I83 HydrophobicContact CB-CG1 4.15Å; I83-F85 HydrophobicContact CB-CE2 4.03Å; I83-F85 HydrophobicContact CG2-CD2 4.11Å; I83-F85 HydrophobicContact CG2-CE2 3.52Å; I83-F85 HydrophobicContact CG2-CZ 3.95Å
84E98.1Very high95.7Very high109 Ų10948.4 Ų48.451%0.50924%0.237SC..EExtended strand (participates in β ladder)trans-90.3134.2178-170.7172.210300110.8P13 W50 D82P13-E84 HydrophobicContact CB-CG 3.86Å; W50-E84 WeakPolarHBondContact CB-O 3.36Å; D82-E84 PolarHBondContact O-N 3.38Å
85F98.3Very high95.6Very high1 Ų143.9 Ų43.90%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-120.2119.8176.9-70.8-99.6000109.7N9 P13 R14 R16 I19 D43 W50 N53 I83 H88N9-F85 PolarHBondContact ND2-O 3.16Å; P13-F85 WeakPolarHBondContact CA-O 3.27Å; R14-F85 PolarHBondContact N-O 2.86Å; R14-F85 PolarHBondContact O-N 3.29Å; R16-F85 HydrophobicContact CB-CE2 4.23Å; I19-F85 HydrophobicContact CD1-CB 4.17Å; I19-F85 HydrophobicContact CD1-CD2 4.22Å; I19-F85 HydrophobicContact CD1-CG 4.4Å; D43-F85 HydrophobicContact CB-CE1 4.14Å; W50-F85 HydrophobicContact CB-CB 4.42Å; W50-F85 HydrophobicContact CB-CD1 3.66Å; W50-F85 HydrophobicContact CB-CE1 4.05Å; W50-F85 HydrophobicContact CB-CG 4.09Å; W50-F85 HydrophobicContact CE3-CD1 4.42Å; W50-F85 HydrophobicContact CG-CD1 4.5Å; N53-F85 HydrophobicContact CB-CE1 3.92Å; N53-F85 HydrophobicContact CB-CZ 4.1Å; I83-F85 HydrophobicContact CB-CE2 4.03Å; I83-F85 HydrophobicContact CG2-CD2 4.11Å; I83-F85 HydrophobicContact CG2-CE2 3.52Å; I83-F85 HydrophobicContact CG2-CZ 3.95Å; F85-H88 HydrophobicContact CB-CB 3.84Å; F85-H88 HydrophobicContact CD1-CB 4.25Å; F85-H88 AromaticContact CD1-CD2 3.71Å; F85-H88 AromaticContact CE1-CD2 4Å; F85-H88 HydrophobicContact CG-CB 4.2Å; F85-H88 AromaticContact CG-CD2 3.98Å
86D97.3Very high95.3Very high51 Ų5140.6 Ų40.627%0.27320%0.2SC..EExtended strand (participates in β ladder)trans-72.4-36.9172.6-64.9-27.6000111.6H11 V12 P13 W50H11-D86 WeakPolarHBondContact CA-O 3.31Å; H11-D86 PolarHBondContact N-O 3.08Å; V12-D86 PolarHBondContact N-O 3.15Å; P13-D86 WeakPolarHBondContact CG-OD1 3.42Å; W50-D86 HydrophobicContact CZ2-CB 4.01Å; W50-D86 PolarHBondContact NE1-OD2 3.25Å; W50-D86 VanDerWaalsContact NE1-OD2 3.1Å
87V98.3Very high94.8Very high12 Ų1238.6 Ų38.67%0.07320%0.195CC..EExtended strand (participates in β ladder)trans-129.1123.5175.3-176.50000109.5N9 Y10 W50N9-V87 VanDerWaalsContact O-CA 3.29Å; N9-V87 WeakPolarHBondContact O-CA 3.45Å; Y10-V87 HydrophobicContact CD2-CB 4.38Å; Y10-V87 HydrophobicContact CD2-CG1 3.61Å; Y10-V87 HydrophobicContact CD2-CG2 3.84Å; Y10-V87 HydrophobicContact CE2-CG1 4.04Å; Y10-V87 HydrophobicContact CE2-CG2 3.99Å; Y10-V87 HydrophobicContact CG-CG2 4.39Å; W50-V87 HydrophobicContact CH2-CB 3.55Å; W50-V87 HydrophobicContact CH2-CG2 3.82Å; W50-V87 HydrophobicContact CZ2-CB 4.24Å; W50-V87 HydrophobicContact CZ2-CG2 4.18Å; W50-V87 HydrophobicContact CZ3-CB 3.72Å; W50-V87 HydrophobicContact CZ3-CG2 4.48Å; W50-V87 WeakPolarHBondContact CZ3-O 3.37Å
88H98.6Very high94Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-151.1151175.9-177.4-82.4000111.2L8 N9 I19 D43 F85 G90L8-H88 VanDerWaalsContact CA-O 3.3Å; L8-H88 WeakPolarHBondContact CA-O 3.49Å; N9-H88 PolarHBondContact N-O 3.37Å; N9-H88 PolarHBondContact O-N 2.91Å; N9-H88 WeakPolarHBondContact OD1-CB 3.21Å; N9-H88 PolarHBondContact OD1-O 3.48Å; I19-H88 HydrophobicContact CD1-CB 3.92Å; D43-H88 PolarHBondContact N-NE2 3.38Å; D43-H88 VanDerWaalsContact N-NE2 3.18Å; D43-H88 IonicContact OD2-CD2 3.15Å; D43-H88 PolarHBondContact OD2-CD2 3.26Å; D43-H88 IonicContact OD2-CG 3.82Å; D43-H88 IonicContact OD2-NE2 3.47Å; D43-H88 PolarHBondContact OD2-NE2 2.93Å; F85-H88 HydrophobicContact CB-CB 3.84Å; F85-H88 HydrophobicContact CD1-CB 4.25Å; F85-H88 AromaticContact CD1-CD2 3.71Å; F85-H88 AromaticContact CE1-CD2 4Å; F85-H88 HydrophobicContact CG-CB 4.2Å; F85-H88 AromaticContact CG-CD2 3.98Å; H88-G90 PolarHBondContact ND1-N 2.83Å
89L98.7Very high93.3Very high1 Ų129.5 Ų29.51%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-122116.6168.3172.863.2000109.6A6 L8 I91 K190 Q197 A198A6-L89 HydrophobicContact CB-CD1 4.3Å; L8-L89 HydrophobicContact CB-CD1 3.98Å; L8-L89 HydrophobicContact CD1-CD1 4.31Å; L8-L89 HydrophobicContact CG-CB 4.45Å; L8-L89 HydrophobicContact CG-CD1 4.35Å; L89-I91 HydrophobicContact CD1-CG2 4.18Å; L89-I91 HydrophobicContact CD2-CG2 4.42Å; L89-I91 HydrophobicContact CG-CG2 4.13Å; L89-K190 HydrophobicContact CB-CD 4.43Å; L89-K190 HydrophobicContact CD2-CB 3.84Å; L89-K190 HydrophobicContact CD2-CD 4.26Å; L89-K190 HydrophobicContact CD2-CG 3.98Å; L89-K190 HydrophobicContact CG-CD 4.21Å; L89-K190 HydrophobicContact CG-CG 4.47Å; L89-K190 WeakPolarHBondContact O-CD 3.26Å; L89-K190 WeakPolarHBondContact O-CE 3.12Å; L89-K190 PolarHBondContact O-NZ 3.31Å; L89-Q197 WeakPolarHBondContact CD2-O 3.41Å; L89-A198 HydrophobicContact CD1-CB 4.05Å; L89-A198 HydrophobicContact CD2-CB 3.73Å
90G98.6Very high92.5Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-103.5136.1167.900000110.9A6 Y7 L23 H88A6-G90 CarbonylContact C-O 3.52Å; A6-G90 WeakPolarHBondContact CA-O 3.26Å; A6-G90 VanDerWaalsContact CB-O 3.28Å; A6-G90 WeakPolarHBondContact CB-O 3.29Å; Y7-G90 PolarHBondContact N-O 3.11Å; Y7-G90 PolarHBondContact O-N 3.3Å; L23-G90 WeakPolarHBondContact CD2-O 3.47Å; H88-G90 PolarHBondContact ND1-N 2.83Å
91I98.8Very high92.2Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-121.4144.9172.672.7174.7000110.5A6 V40 G41 L89 P109 I119 I121 V188 K190A6-I91 HydrophobicContact CB-CB 4.25Å; A6-I91 HydrophobicContact CB-CG2 3.82Å; V40-I91 CarbonylContact C-O 3.52Å; V40-I91 WeakPolarHBondContact CA-O 3.39Å; G41-I91 PolarHBondContact N-O 3.38Å; G41-I91 PolarHBondContact O-N 3.49Å; L89-I91 HydrophobicContact CD1-CG2 4.18Å; L89-I91 HydrophobicContact CD2-CG2 4.42Å; L89-I91 HydrophobicContact CG-CG2 4.13Å; I91-P109 HydrophobicContact CD1-CB 4.16Å; I91-P109 HydrophobicContact CD1-CG 4.04Å; I91-P109 HydrophobicContact CG1-CG 3.92Å; I91-I119 HydrophobicContact CD1-CD1 3.49Å; I91-I119 VanDerWaalsContact CD1-CD1 3.49Å; I91-I119 HydrophobicContact CD1-CG1 3.69Å; I91-I119 HydrophobicContact CG1-CD1 3.82Å; I91-I121 HydrophobicContact CB-CD1 4Å; I91-I121 HydrophobicContact CD1-CG1 4.38Å; I91-I121 HydrophobicContact CD1-CG2 3.95Å; I91-I121 HydrophobicContact CG1-CG2 4.25Å; I91-V188 HydrophobicContact CG2-CG1 4.07Å; I91-K190 HydrophobicContact CD1-CB 4.3Å; I91-K190 HydrophobicContact CG2-CB 4.33Å
92A98.6Very high91.9Very high0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-145147.2-172.700000111.2F5 L23 L27 G39 V40 I121F5-A92 PolarHBondContact N-O 3.34Å; F5-A92 WeakPolarHBondContact O-CA 3.39Å; F5-A92 PolarHBondContact O-N 2.94Å; L23-A92 HydrophobicContact CB-CB 4.03Å; L23-A92 HydrophobicContact CD2-CB 4.13Å; L23-A92 HydrophobicContact CG-CB 4.47Å; L27-A92 HydrophobicContact CD1-CB 3.97Å; L27-A92 HydrophobicContact CD2-CB 3.67Å; L27-A92 HydrophobicContact CG-CB 3.78Å; G39-A92 CarbonylContact O-C 3.58Å; G39-A92 WeakPolarHBondContact O-CA 3.21Å; V40-A92 HydrophobicContact CG1-CB 3.82Å; A92-I121 VanDerWaalsContact O-CD1 3.24Å; A92-I121 WeakPolarHBondContact O-CD1 3.49Å
93H98.4Very high91.8Very high1 Ų129 Ų291%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-144.4141-178.6-169.5-99.3000113.6G3 A38 G39 H108 I121 H122 N123G3-H93 CarbonylContact O-C 3.6Å; G3-H93 VanDerWaalsContact O-CA 3.26Å; G3-H93 WeakPolarHBondContact O-CA 3.19Å; G3-H93 PolarHBondContact O-CD2 3.12Å; A38-H93 CarbonylContact C-O 3.41Å; A38-H93 WeakPolarHBondContact CA-O 3.34Å; A38-H93 WeakPolarHBondContact CB-O 3.48Å; G39-H93 PolarHBondContact N-O 2.87Å; G39-H93 PolarHBondContact O-N 2.8Å; H93-H108 HydrophobicContact CB-CB 3.8Å; H93-H108 AromaticContact CD2-ND1 3.98Å; H93-H108 AromaticContact CE1-CE1 3.98Å; H93-H108 AromaticContact CE1-CG 3.94Å; H93-H108 AromaticContact CE1-ND1 3.27Å; H93-H108 PolarHBondContact CE1-ND1 2.77Å; H93-H108 VanDerWaalsContact CE1-ND1 3.27Å; H93-H108 AromaticContact CG-ND1 3.89Å; H93-H108 AromaticContact ND1-CG 3.67Å; H93-H108 AromaticContact ND1-ND1 3.45Å; H93-H108 PolarHBondContact ND1-ND1 3.03Å; H93-H108 AromaticContact NE2-ND1 3.6Å; H93-I121 HydrophobicContact CB-CB 4.1Å; H93-I121 HydrophobicContact CB-CG2 3.75Å; H93-H122 PolarHBondContact NE2-O 2.64Å; H93-N123 PolarHBondContact NE2-OD1 2.92Å
94T96.1Very high91.6Very high1 Ų131.6 Ų31.61%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-110.6132.916250.30000110.3C2 G3 L27 G34 A38 V66C2-T94 CarbonylContact C-O 3.37Å; C2-T94 WeakPolarHBondContact CA-O 3.47Å; C2-T94 VanDerWaalsContact CB-O 3.24Å; C2-T94 WeakPolarHBondContact CB-O 2.82Å; G3-T94 WeakPolarHBondContact CA-OG1 3.42Å; G3-T94 PolarHBondContact N-O 3.28Å; G3-T94 PolarHBondContact N-OG1 3.19Å; G3-T94 PolarHBondContact O-N 3.23Å; L27-T94 HydrophobicContact CB-CG2 4.02Å; L27-T94 HydrophobicContact CD1-CG2 4.27Å; L27-T94 HydrophobicContact CD2-CG2 4.12Å; L27-T94 HydrophobicContact CG-CG2 4.36Å; G34-T94 VanDerWaalsContact O-CB 3.29Å; G34-T94 WeakPolarHBondContact O-CB 3.35Å; A38-T94 HydrophobicContact CB-CG2 4.07Å; V66-T94 HydrophobicContact CG2-CG2 3.49Å; V66-T94 VanDerWaalsContact CG2-CG2 3.49Å
95R91Very high91.5Very high6 Ų629.4 Ų29.42%0.02317%0.166CC..EExtended strand (participates in β ladder)trans-116131.4-172-172.4-179.5-171.5-107.2-4.4111.3D36 S37 H99 N106D36-R95 WeakPolarHBondContact CB-O 3.4Å; D36-R95 PolarHBondContact N-O 2.67Å; D36-R95 VanDerWaalsContact N-O 3.09Å; S37-R95 PolarHBondContact N-O 3.05Å; S37-R95 PolarHBondContact O-N 2.89Å; R95-H99 PolarHBondContact NH2-O 2.95Å; R95-N106 PolarHBondContact NE-O 2.8Å
96W85.9Confident91.4Very high57 Ų5729.5 Ų29.522%0.21617%0.167CC..  trans-100.6115.9155.7-179.5-3.1000107.2M1 C2 D36 T98 A693M1-W96 VanDerWaalsContact N-CZ3 3.32Å; C2-W96 PolarHBondContact SG-N 3.38Å; C2-W96 PolarHBondContact SG-O 2.99Å; D36-W96 WeakPolarHBondContact OD2-CA 3.48Å; D36-W96 VanDerWaalsContact OD2-CD1 3.31Å; W96-T98 PolarHBondContact O-N 3.4Å; W96-A693 HydrophobicContact CD2-CB 4Å; W96-A693 HydrophobicContact CE3-CB 3.1Å; W96-A693 HydrophobicContact CH2-CB 3.99Å; W96-A693 VanDerWaalsContact CZ3-CA 3.48Å; W96-A693 HydrophobicContact CZ3-CB 3.13Å
97A80.8Confident91.4Very high22 Ų2227 Ų2718%0.18215%0.154CC..  trans-73.3118.9-171.800000112D36 P102D36-A97 PolarHBondContact OD2-N 3.01Å; A97-P102 HydrophobicContact CB-CG 3.83Å
98T69.9Low91.4Very high71 Ų7126.8 Ų26.844%0.43615%0.151SC..SBendtrans-99.2-42.3169.354.60000111.9W96 V698W96-T98 PolarHBondContact O-N 3.4Å; T98-V698 HydrophobicContact CG2-CG2 4.01Å
99H74.4Confident91.4Very high59 Ų5926.8 Ų26.827%0.27315%0.151SC..SBendtrans-118.8129.9177.1-68.479.4000111.2R95R95-H99 PolarHBondContact NH2-O 2.95Å
100G77.5Confident91.4Very high25 Ų2526.7 Ų26.726%0.25815%0.151SC..SBendtrans73.4145.4-17900000113.1
101E87.6Confident91.4Very high120 Ų12029.4 Ų29.456%0.56116%0.161SC*.  trans-62.6151.9-177.954156.4-145.400112.7N103 N106E101-N103 PolarHBondContact O-N 3.24Å; E101-N103 PolarHBondContact OE1-ND2 2.6Å; E101-N106 PolarHBondContact O-ND2 3.19Å
102P90Very high91.4Very high32 Ų3229.5 Ų29.521%0.20816%0.162CC..SBendtrans-64.4109.5171.2-1829.4000110.8D36 K63 A97D36-P102 HydrophobicContact CB-CB 3.95Å; D36-P102 HydrophobicContact CB-CG 3.86Å; K63-P102 WeakPolarHBondContact CD-O 3.45Å; K63-P102 WeakPolarHBondContact CE-O 3.42Å; K63-P102 HydrophobicContact CG-CB 4.31Å; K63-P102 PolarHBondContact NZ-O 3.12Å; A97-P102 HydrophobicContact CB-CG 3.83Å
103N92.7Very high91.3Very high30 Ų3031 Ų3116%0.1617%0.17CC..SBendtrans-152.7164.7173.969.240.3000110E101 V105 N106 S107E101-N103 PolarHBondContact O-N 3.24Å; E101-N103 PolarHBondContact OE1-ND2 2.6Å; N103-V105 PolarHBondContact O-N 2.68Å; N103-V105 WeakPolarHBondContact OD1-CB 3.26Å; N103-V105 PolarHBondContact OD1-N 3.46Å; N103-N106 PolarHBondContact ND2-ND2 2.89Å; N103-N106 PolarHBondContact O-N 3.2Å; N103-N106 WeakPolarHBondContact OD1-CB 3.49Å; N103-N106 PolarHBondContact OD1-N 3.16Å; N103-S107 PolarHBondContact O-N 2.9Å; N103-S107 PolarHBondContact O-OG 3.06Å
104P94.6Very high91.3Very high65 Ų6537.7 Ų37.742%0.42220%0.199SC..THydrogen-bonded Turntrans-58.2-30.8-177.9-27.336.3000114.9K61K61-P104 HydrophobicContact CB-CB 4.49Å; K61-P104 WeakPolarHBondContact CE-O 3.45Å; K61-P104 PolarHBondContact NZ-O 3.44Å; K61-P104 VanDerWaalsContact NZ-O 3.13Å
105V96.5Very high91.4Very high63 Ų6343.6 Ų43.638%0.38223%0.231SC..THydrogen-bonded Turntrans-70.2-44.3-179.4-178.90000110.5K61 N103 Q110 E144K61-V105 PolarHBondContact NZ-O 2.88Å; N103-V105 PolarHBondContact O-N 2.68Å; N103-V105 WeakPolarHBondContact OD1-CB 3.26Å; N103-V105 PolarHBondContact OD1-N 3.46Å; V105-Q110 PolarHBondContact O-NE2 3.07Å; V105-E144 HydrophobicContact CG1-CG 4.32Å; V105-E144 VanDerWaalsContact CG1-O 3.24Å; V105-E144 WeakPolarHBondContact CG1-O 3.41Å
106N96.2Very high91.7Very high3 Ų344 Ų442%0.01623%0.233CC..THydrogen-bonded Turntrans-77.2-19.5178-69.8-23.8000113.2R95 E101 N103 Q110 S145 E146 T147R95-N106 PolarHBondContact NE-O 2.8Å; E101-N106 PolarHBondContact O-ND2 3.19Å; N103-N106 PolarHBondContact ND2-ND2 2.89Å; N103-N106 PolarHBondContact O-N 3.2Å; N103-N106 WeakPolarHBondContact OD1-CB 3.49Å; N103-N106 PolarHBondContact OD1-N 3.16Å; N106-Q110 PolarHBondContact O-NE2 2.96Å; N106-S145 WeakPolarHBondContact OD1-CB 3.49Å; N106-E146 PolarHBondContact OD1-N 2.9Å; N106-E146 VanDerWaalsContact OD1-N 3.13Å; N106-T147 HydrophobicContact CB-CG2 3.75Å; N106-T147 WeakPolarHBondContact O-CG2 3.34Å
107S96.9Very high92.3Very high0 Ų043.4 Ų43.40%023%0.233CC..SBendtrans-61148.5171.6-63.30000111.8S37 K61 N103 Q110S37-S107 VanDerWaalsContact CB-OG 3.23Å; S37-S107 WeakPolarHBondContact CB-OG 3.36Å; S37-S107 PolarHBondContact OG-OG 3.49Å; K61-S107 VanDerWaalsContact CD-O 3.28Å; K61-S107 WeakPolarHBondContact CD-O 3.42Å; K61-S107 PolarHBondContact NZ-O 2.86Å; N103-S107 PolarHBondContact O-N 2.9Å; N103-S107 PolarHBondContact O-OG 3.06Å; S107-Q110 PolarHBondContact O-NE2 3.32Å
108H97.6Very high93.2Very high6 Ų642.3 Ų42.33%0.02822%0.224CC..SBendtrans-88.1155.7171.7-58174.8000110.2G39 H93 I121 H122 T149G39-H108 VanDerWaalsContact CA-O 3.31Å; G39-H108 WeakPolarHBondContact CA-O 3.46Å; H93-H108 HydrophobicContact CB-CB 3.8Å; H93-H108 AromaticContact CD2-ND1 3.98Å; H93-H108 AromaticContact CE1-CE1 3.98Å; H93-H108 AromaticContact CE1-CG 3.94Å; H93-H108 AromaticContact CE1-ND1 3.27Å; H93-H108 PolarHBondContact CE1-ND1 2.77Å; H93-H108 VanDerWaalsContact CE1-ND1 3.27Å; H93-H108 AromaticContact CG-ND1 3.89Å; H93-H108 AromaticContact ND1-CG 3.67Å; H93-H108 AromaticContact ND1-ND1 3.45Å; H93-H108 PolarHBondContact ND1-ND1 3.03Å; H93-H108 AromaticContact NE2-ND1 3.6Å; H108-I121 HydrophobicContact CB-CG2 4.14Å; H108-H122 PolarHBondContact CE1-O 2.69Å; H108-H122 VanDerWaalsContact CE1-O 3.28Å; H108-H122 PolarHBondContact ND1-N 2.92Å; H108-H122 PolarHBondContact ND1-O 3.05Å; H108-T149 PolarHBondContact CE1-OG1 3.25Å; H108-T149 VanDerWaalsContact CE1-OG1 3.23Å; H108-T149 WeakPolarHBondContact NE2-CB 3.49Å; H108-T149 PolarHBondContact NE2-OG1 2.92Å
109P98.5Very high94.5Very high0 Ų039 Ų390%020%0.204CC..SBendcis-65.91431.8-20.733.1000114.8L59 K61 I91 I119 V120 I121L59-P109 HydrophobicContact CD2-CB 3.98Å; L59-P109 HydrophobicContact CD2-CG 3.97Å; K61-P109 WeakPolarHBondContact CD-O 3.47Å; K61-P109 PolarHBondContact NZ-O 3.48Å; I91-P109 HydrophobicContact CD1-CB 4.16Å; I91-P109 HydrophobicContact CD1-CG 4.04Å; I91-P109 HydrophobicContact CG1-CG 3.92Å; P109-I119 HydrophobicContact CB-CB 4.14Å; P109-I119 HydrophobicContact CB-CD1 4.22Å; P109-I119 HydrophobicContact CG-CD1 4.39Å; P109-V120 WeakPolarHBondContact CA-O 3.45Å; P109-I121 HydrophobicContact CB-CG2 3.9Å; P109-I121 HydrophobicContact CG-CG2 3.7Å
110Q98.6Very high95.7Very high0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-87.9147.8167-72.6-61.1-14.300109.9V105 N106 S107 I119 V120 T147 T149 E150 A153V105-Q110 PolarHBondContact O-NE2 3.07Å; N106-Q110 PolarHBondContact O-NE2 2.96Å; S107-Q110 PolarHBondContact O-NE2 3.32Å; Q110-I119 CarbonylContact O-C 3.43Å; Q110-I119 VanDerWaalsContact O-CA 3.23Å; Q110-I119 WeakPolarHBondContact O-CA 3.41Å; Q110-V120 HydrophobicContact CB-CG1 4.35Å; Q110-V120 PolarHBondContact N-O 2.97Å; Q110-V120 PolarHBondContact O-N 3.17Å; Q110-T147 PolarHBondContact NE2-OG1 2.89Å; Q110-T149 HydrophobicContact CB-CG2 3.99Å; Q110-T149 HydrophobicContact CG-CG2 3.68Å; Q110-E150 HydrophobicContact CG-CB 4.39Å; Q110-A153 HydrophobicContact CB-CB 4.44Å
111R98.6Very high96.7Very high57 Ų5735 Ų3522%0.21518%0.178CC..EExtended strand (participates in β ladder)trans-120.2150.1-172.661.2-179.2175.8175.10.2113.1L59 D113 N116 F118 I119 E144 K154L59-R111 HydrophobicContact CD1-CB 4.18Å; R111-D113 VanDerWaalsContact CD-O 3.31Å; R111-D113 WeakPolarHBondContact CD-O 3.25Å; R111-N116 WeakPolarHBondContact CD-OD1 3.4Å; R111-N116 PolarHBondContact NH1-OD1 2.83Å; R111-F118 CarbonylContact C-O 3.5Å; R111-F118 WeakPolarHBondContact CA-O 3.37Å; R111-I119 HydrophobicContact CB-CG2 4.07Å; R111-E144 IonicContact CZ-OE1 3.38Å; R111-E144 IonicContact CZ-OE2 3.57Å; R111-E144 IonicContact NE-OE1 2.71Å; R111-E144 PolarHBondContact NE-OE1 3.5Å; R111-E144 IonicContact NE-OE2 3.48Å; R111-E144 PolarHBondContact NE-OE2 3.02Å; R111-E144 IonicContact NH2-OE1 3.19Å; R111-E144 PolarHBondContact NH2-OE1 3.23Å; R111-E144 IonicContact NH2-OE2 2.83Å; R111-E144 PolarHBondContact NH2-OE2 3.33Å; R111-K154 PolarHBondContact O-NZ 2.99Å
112S98.4Very high97.2Very high2 Ų229.4 Ų29.41%0.01415%0.152CC..SBendtrans-74.8-29.8179.355.40000114.2F118 A153 K154S112-F118 PolarHBondContact N-O 3.31Å; S112-F118 PolarHBondContact OG-N 3.5Å; S112-F118 PolarHBondContact OG-O 3.4Å; S112-A153 VanDerWaalsContact CB-O 3.25Å; S112-A153 WeakPolarHBondContact CB-O 3.45Å; S112-K154 WeakPolarHBondContact O-CD 3.16Å; S112-K154 WeakPolarHBondContact O-CE 3.32Å
113D98.2Very high97.4Very high31 Ų3128 Ų2817%0.16614%0.143CC..SBendtrans-162.5-179.5-17455.573.1000109.5R111 N115 N116 E117 K157R111-D113 VanDerWaalsContact CD-O 3.31Å; R111-D113 WeakPolarHBondContact CD-O 3.25Å; D113-N115 PolarHBondContact O-N 2.8Å; D113-N115 VanDerWaalsContact OD1-CA 3.27Å; D113-N115 WeakPolarHBondContact OD1-CA 3.42Å; D113-N115 WeakPolarHBondContact OD1-CB 3.44Å; D113-N115 PolarHBondContact OD1-N 3.38Å; D113-N116 PolarHBondContact O-N 3.04Å; D113-N116 PolarHBondContact OD1-N 3.24Å; D113-E117 PolarHBondContact OD1-N 2.94Å; D113-E117 VanDerWaalsContact OD2-CB 3.3Å; D113-E117 WeakPolarHBondContact OD2-CB 3.4Å; D113-E117 WeakPolarHBondContact OD2-CG 3.41Å; D113-E117 PolarHBondContact OD2-N 3.17Å; D113-K157 HydrophobicContact CB-CD 4.43Å; D113-K157 WeakPolarHBondContact OD2-CD 3.45Å; D113-K157 VanDerWaalsContact OD2-CE 3.3Å; D113-K157 WeakPolarHBondContact OD2-CE 3.4Å
114K97.6Very high97.4Very high141 Ų14127.5 Ų27.561%0.61315%0.145SC*.THydrogen-bonded Turntrans-68.7-20.3-177.5-60.1-60.9178.2-171.10113.9E144K114-E144 IonicContact NZ-OE2 2.69Å; K114-E144 PolarHBondContact NZ-OE2 3.3Å
115N97.3Very high97.3Very high126 Ų12625.7 Ų25.767%0.67413%0.131SC*.THydrogen-bonded Turntrans-940.5179.1-60.1-32000112.7D113 E117D113-N115 PolarHBondContact O-N 2.8Å; D113-N115 VanDerWaalsContact OD1-CA 3.27Å; D113-N115 WeakPolarHBondContact OD1-CA 3.42Å; D113-N115 WeakPolarHBondContact OD1-CB 3.44Å; D113-N115 PolarHBondContact OD1-N 3.38Å; N115-E117 PolarHBondContact O-N 3.41Å
116N98.3Very high97.2Very high15 Ų1522.7 Ų22.78%0.0811%0.113CC..  trans60.738178.2-49.6-36.1000113.4I57 R111 D113 F118 I119I57-N116 HydrophobicContact CB-CB 3.94Å; I57-N116 HydrophobicContact CG2-CB 3.93Å; I57-N116 PolarHBondContact O-ND2 2.81Å; R111-N116 WeakPolarHBondContact CD-OD1 3.4Å; R111-N116 PolarHBondContact NH1-OD1 2.83Å; D113-N116 PolarHBondContact O-N 3.04Å; D113-N116 PolarHBondContact OD1-N 3.24Å; N116-F118 PolarHBondContact O-N 3.35Å; N116-I119 HydrophobicContact CB-CG2 4.06Å
117E98.4Very high97.1Very high43 Ų4326.8 Ų26.820%0.20114%0.138CC..SBendtrans-57.3-38.5-177.5-67.4-177.7-152.600113.1D113 N115 K157 S191 V192 H193D113-E117 PolarHBondContact OD1-N 2.94Å; D113-E117 VanDerWaalsContact OD2-CB 3.3Å; D113-E117 WeakPolarHBondContact OD2-CB 3.4Å; D113-E117 WeakPolarHBondContact OD2-CG 3.41Å; D113-E117 PolarHBondContact OD2-N 3.17Å; N115-E117 PolarHBondContact O-N 3.41Å; E117-K157 VanDerWaalsContact CD-CE 3.49Å; E117-K157 IonicContact OE1-NZ 3.66Å; E117-K157 VanDerWaalsContact OE2-CE 3.3Å; E117-K157 WeakPolarHBondContact OE2-CE 3.34Å; E117-K157 IonicContact OE2-NZ 2.76Å; E117-S191 WeakPolarHBondContact O-CA 3.5Å; E117-S191 WeakPolarHBondContact O-CB 3.42Å; E117-S191 PolarHBondContact O-OG 3.11Å; E117-V192 HydrophobicContact CB-CG2 4.25Å; E117-V192 HydrophobicContact CG-CG2 4.39Å; E117-V192 PolarHBondContact O-N 3.12Å; E117-V192 VanDerWaalsContact O-N 3.15Å; E117-H193 IonicContact OE2-CD2 3.75Å; E117-H193 IonicContact OE2-CE1 2.81Å; E117-H193 IonicContact OE2-NE2 3.79Å; E117-H193 PolarHBondContact OE2-NE2 3.11Å
118F98.8Very high97.1Very high0 Ų027.6 Ų27.60%014%0.143CC..EExtended strand (participates in β ladder)trans-128.8137.4170.4-63.5-96.3000109.9R111 S112 N116 V156 K157 Y160 F170 L173 S191 H193 F194R111-F118 CarbonylContact C-O 3.5Å; R111-F118 WeakPolarHBondContact CA-O 3.37Å; S112-F118 PolarHBondContact N-O 3.31Å; S112-F118 PolarHBondContact OG-N 3.5Å; S112-F118 PolarHBondContact OG-O 3.4Å; N116-F118 PolarHBondContact O-N 3.35Å; F118-V156 HydrophobicContact CB-CG1 3.69Å; F118-V156 HydrophobicContact CD1-CG1 3.91Å; F118-V156 HydrophobicContact CD1-CG2 3.94Å; F118-V156 HydrophobicContact CE1-CG2 4.1Å; F118-V156 HydrophobicContact CG-CG1 3.82Å; F118-K157 HydrophobicContact CD2-CB 4Å; F118-K157 HydrophobicContact CD2-CG 4.22Å; F118-K157 HydrophobicContact CE2-CB 4.38Å; F118-K157 HydrophobicContact CE2-CG 4.35Å; F118-Y160 HydrophobicContact CE2-CD1 4Å; F118-Y160 AromaticContact CE2-CG 3.96Å; F118-Y160 HydrophobicContact CE2-CG 3.96Å; F118-Y160 HydrophobicContact CZ-CD1 4.17Å; F118-Y160 HydrophobicContact CZ-CD2 4.02Å; F118-Y160 AromaticContact CZ-CG 3.72Å; F118-Y160 HydrophobicContact CZ-CG 3.72Å; F118-F170 HydrophobicContact CD1-CE2 4.12Å; F118-F170 HydrophobicContact CD1-CZ 4.41Å; F118-F170 AromaticContact CE1-CE2 3.99Å; F118-F170 HydrophobicContact CE1-CE2 3.99Å; F118-L173 HydrophobicContact CE1-CD1 4.43Å; F118-L173 HydrophobicContact CZ-CD1 4.46Å; F118-S191 VanDerWaalsContact CD1-CB 3.47Å; F118-S191 WeakPolarHBondContact CD1-OG 3.48Å; F118-S191 VanDerWaalsContact CE1-OG 3.25Å; F118-S191 WeakPolarHBondContact CE1-OG 3.32Å; F118-H193 AromaticContact CE2-CD2 3.55Å; F118-H193 AromaticContact CZ-CD2 3.67Å; F118-F194 HydrophobicContact CE1-CD2 4.34Å; F118-F194 HydrophobicContact CE1-CE2 4.18Å; F118-F194 HydrophobicContact CZ-CE2 4.35Å
119I98.8Very high97Very high1 Ų129.5 Ų29.51%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-128.8148.2171.565.4165.7000110.7I57 L59 I91 P109 Q110 R111 N116 K190I57-I119 HydrophobicContact CD1-CG1 4.39Å; I57-I119 HydrophobicContact CG2-CD1 3.77Å; I57-I119 HydrophobicContact CG2-CG1 4.41Å; I57-I119 HydrophobicContact CG2-CG2 4.1Å; L59-I119 HydrophobicContact CD1-CG2 4.33Å; L59-I119 HydrophobicContact CD2-CD1 3.86Å; L59-I119 HydrophobicContact CD2-CG2 4.19Å; I91-I119 HydrophobicContact CD1-CD1 3.49Å; I91-I119 VanDerWaalsContact CD1-CD1 3.49Å; I91-I119 HydrophobicContact CD1-CG1 3.69Å; I91-I119 HydrophobicContact CG1-CD1 3.82Å; P109-I119 HydrophobicContact CB-CB 4.14Å; P109-I119 HydrophobicContact CB-CD1 4.22Å; P109-I119 HydrophobicContact CG-CD1 4.39Å; Q110-I119 CarbonylContact O-C 3.43Å; Q110-I119 VanDerWaalsContact O-CA 3.23Å; Q110-I119 WeakPolarHBondContact O-CA 3.41Å; R111-I119 HydrophobicContact CB-CG2 4.07Å; N116-I119 HydrophobicContact CB-CG2 4.06Å; I119-K190 HydrophobicContact CD1-CB 4.21Å; I119-K190 HydrophobicContact CD1-CD 4.23Å; I119-K190 HydrophobicContact CG1-CB 3.8Å; I119-K190 HydrophobicContact CG1-CG 4.34Å; I119-K190 PolarHBondContact N-O 3.39Å; I119-K190 PolarHBondContact O-N 3.4Å
120V98.8Very high96.9Very high0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-140.8143.7-178.469.50000111.3P109 Q110 T149 I152 A153 L187 V188 F189P109-V120 WeakPolarHBondContact CA-O 3.45Å; Q110-V120 HydrophobicContact CB-CG1 4.35Å; Q110-V120 PolarHBondContact N-O 2.97Å; Q110-V120 PolarHBondContact O-N 3.17Å; V120-T149 HydrophobicContact CG1-CG2 4.19Å; V120-I152 HydrophobicContact CG1-CB 4.32Å; V120-I152 HydrophobicContact CG1-CG2 4.4Å; V120-I152 HydrophobicContact CG2-CG2 4.32Å; V120-A153 HydrophobicContact CG1-CB 3.91Å; V120-L187 HydrophobicContact CG2-CB 4.36Å; V120-L187 HydrophobicContact CG2-CD2 4.1Å; V120-V188 WeakPolarHBondContact CA-O 3.28Å; V120-F189 HydrophobicContact CB-CD1 3.87Å; V120-F189 HydrophobicContact CB-CE1 3.9Å; V120-F189 HydrophobicContact CG2-CD1 3.72Å; V120-F189 HydrophobicContact CG2-CD2 4.26Å; V120-F189 HydrophobicContact CG2-CE1 3.56Å; V120-F189 HydrophobicContact CG2-CE2 4.11Å; V120-F189 HydrophobicContact CG2-CG 4.08Å; V120-F189 HydrophobicContact CG2-CZ 3.77Å
121I98.5Very high96.8Very high0 Ų041.1 Ų41.10%021%0.206CC..EExtended strand (participates in β ladder)trans-113.3139.9166.855.6175.3000109.3I4 I91 A92 H93 H108 P109 L187 V188I4-I121 HydrophobicContact CB-CD1 4.25Å; I4-I121 HydrophobicContact CG1-CB 4.49Å; I4-I121 HydrophobicContact CG1-CD1 4.07Å; I4-I121 HydrophobicContact CG1-CG1 4.2Å; I4-I121 HydrophobicContact CG2-CD1 3.73Å; I4-I121 HydrophobicContact CG2-CG1 4.42Å; I91-I121 HydrophobicContact CB-CD1 4Å; I91-I121 HydrophobicContact CD1-CG1 4.38Å; I91-I121 HydrophobicContact CD1-CG2 3.95Å; I91-I121 HydrophobicContact CG1-CG2 4.25Å; A92-I121 VanDerWaalsContact O-CD1 3.24Å; A92-I121 WeakPolarHBondContact O-CD1 3.49Å; H93-I121 HydrophobicContact CB-CB 4.1Å; H93-I121 HydrophobicContact CB-CG2 3.75Å; H108-I121 HydrophobicContact CB-CG2 4.14Å; P109-I121 HydrophobicContact CB-CG2 3.9Å; P109-I121 HydrophobicContact CG-CG2 3.7Å; I121-L187 WeakPolarHBondContact O-CA 3.48Å; I121-V188 HydrophobicContact CD1-CB 4.06Å; I121-V188 HydrophobicContact CD1-CG2 4.47Å; I121-V188 HydrophobicContact CG1-CB 3.81Å; I121-V188 HydrophobicContact CG1-CG2 4.49Å; I121-V188 PolarHBondContact N-O 2.93Å; I121-V188 VanDerWaalsContact N-O 3.15Å; I121-V188 PolarHBondContact O-N 3.48Å
122H97.7Very high96.8Very high3 Ų339 Ų391%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-138133.3-169.2171.6-134.7000112.4H93 H108 G124 D148 T149 I152 F185 A186 L187H93-H122 PolarHBondContact NE2-O 2.64Å; H108-H122 PolarHBondContact CE1-O 2.69Å; H108-H122 VanDerWaalsContact CE1-O 3.28Å; H108-H122 PolarHBondContact ND1-N 2.92Å; H108-H122 PolarHBondContact ND1-O 3.05Å; H122-G124 PolarHBondContact CE1-O 3.37Å; H122-G124 VanDerWaalsContact CE1-O 3.31Å; H122-G124 WeakPolarHBondContact NE2-CA 3.43Å; H122-D148 IonicContact CE1-OD2 2.75Å; H122-T149 HydrophobicContact CB-CG2 3.45Å; H122-T149 VanDerWaalsContact CB-CG2 3.45Å; H122-T149 PolarHBondContact ND1-OG1 3.07Å; H122-I152 HydrophobicContact CB-CD1 4.43Å; H122-F185 VanDerWaalsContact NE2-CB 3.34Å; H122-F185 WeakPolarHBondContact NE2-CB 3.48Å; H122-A186 WeakPolarHBondContact CA-O 3.36Å; H122-L187 HydrophobicContact CB-CD2 3.57Å; H122-L187 WeakPolarHBondContact CD2-CD2 3.21Å
123N94.9Very high96.8Very high2 Ų241.6 Ų41.61%0.01121%0.209CC..EExtended strand (participates in β ladder)trans-115.7123.3164.3-74.8-0.1000109.1C2 I4 H93 F185 A186 S279C2-N123 WeakPolarHBondContact CB-OD1 3.28Å; C2-N123 PolarHBondContact O-ND2 3.38Å; I4-N123 HydrophobicContact CD1-CB 3.99Å; H93-N123 PolarHBondContact NE2-OD1 2.92Å; N123-F185 CarbonylContact O-C 3.55Å; N123-F185 VanDerWaalsContact O-CA 3.23Å; N123-F185 WeakPolarHBondContact O-CA 3.38Å; N123-A186 HydrophobicContact CB-CB 4.36Å; N123-A186 PolarHBondContact N-O 2.85Å; N123-A186 PolarHBondContact O-N 2.84Å; N123-S279 VanDerWaalsContact ND2-CB 3.34Å; N123-S279 WeakPolarHBondContact ND2-CB 3.43Å; N123-S279 PolarHBondContact ND2-OG 3.29Å
124G91.6Very high96.8Very high19 Ų1947 Ų4720%0.19623%0.232CC..EExtended strand (participates in β ladder)trans134.9-163.8-178.400000112.2H122 A184H122-G124 PolarHBondContact CE1-O 3.37Å; H122-G124 VanDerWaalsContact CE1-O 3.31Å; H122-G124 WeakPolarHBondContact NE2-CA 3.43Å; G124-A184 CarbonylContact C-O 3.5Å; G124-A184 WeakPolarHBondContact CA-O 3.48Å
125I92.6Very high96.8Very high27 Ų2743.9 Ų43.914%0.13822%0.218CC..EExtended strand (participates in β ladder)trans-136.9128.8175.3-63.6179.5000108.5T127 D148 A184 V698 E699I125-T127 HydrophobicContact CG2-CG2 4.5Å; I125-D148 WeakPolarHBondContact CA-OD2 3.49Å; I125-A184 PolarHBondContact N-O 2.84Å; I125-A184 PolarHBondContact O-N 2.83Å; I125-V698 HydrophobicContact CD1-CB 3.71Å; I125-V698 HydrophobicContact CD1-CG1 4.35Å; I125-V698 HydrophobicContact CD1-CG2 4.07Å; I125-V698 HydrophobicContact CG1-CB 4Å; I125-V698 HydrophobicContact CG1-CG1 4.08Å; I125-V698 HydrophobicContact CG1-CG2 4.4Å; I125-E699 WeakPolarHBondContact CD1-O 3.48Å
126I95.6Very high96.9Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-88.3104.5169.2-52.8-52.8000109N128 Y129 L132 D148 I152 L181 E182 F185I126-N128 VanDerWaalsContact C-N 3.3Å; I126-N128 VanDerWaalsContact CG2-OD1 3.29Å; I126-N128 WeakPolarHBondContact CG2-OD1 3.26Å; I126-N128 PolarHBondContact O-N 3.42Å; I126-Y129 WeakPolarHBondContact O-CB 3.43Å; I126-Y129 WeakPolarHBondContact O-CD1 3.31Å; I126-Y129 PolarHBondContact O-N 3.11Å; I126-L132 HydrophobicContact CG2-CD1 4.08Å; I126-D148 HydrophobicContact CB-CB 4.26Å; I126-D148 PolarHBondContact N-OD2 3.44Å; I126-I152 HydrophobicContact CD1-CD1 3.91Å; I126-I152 HydrophobicContact CG1-CD1 3.75Å; I126-I152 HydrophobicContact CG1-CG1 4.08Å; I126-L181 HydrophobicContact CD1-CB 4.38Å; I126-L181 HydrophobicContact CD1-CD1 4.12Å; I126-L181 HydrophobicContact CG2-CD2 4.13Å; I126-E182 CarbonylContact C-O 3.35Å; I126-E182 WeakPolarHBondContact CA-O 3.27Å; I126-F185 HydrophobicContact CD1-CB 3.98Å; I126-F185 HydrophobicContact CD1-CD1 3.76Å; I126-F185 HydrophobicContact CD1-CG 4.21Å
127T93.2Very high96.9Very high89 Ų8941.7 Ų41.755%0.54620%0.203SC..THydrogen-bonded Turntrans-69.7-28.6-171.352.10000112.9I125 E182 G183I125-T127 HydrophobicContact CG2-CG2 4.5Å; T127-E182 PolarHBondContact N-O 3.39Å; T127-E182 VanDerWaalsContact OG1-C 3.27Å; T127-E182 WeakPolarHBondContact OG1-CB 3.18Å; T127-E182 PolarHBondContact OG1-O 3.22Å; T127-G183 PolarHBondContact OG1-N 2.99Å
128N97.1Very high96.8Very high18 Ų1843.9 Ų43.910%0.09622%0.223CC..THydrogen-bonded Turntrans-98.818.5179.970.8-24.2000114I126 K130 D131 L132 Q180 E182I126-N128 VanDerWaalsContact C-N 3.3Å; I126-N128 VanDerWaalsContact CG2-OD1 3.29Å; I126-N128 WeakPolarHBondContact CG2-OD1 3.26Å; I126-N128 PolarHBondContact O-N 3.42Å; N128-K130 PolarHBondContact O-N 3.11Å; N128-K130 VanDerWaalsContact O-N 3.12Å; N128-D131 PolarHBondContact O-N 2.64Å; N128-D131 VanDerWaalsContact O-N 3.12Å; N128-L132 PolarHBondContact O-N 3.36Å; N128-Q180 PolarHBondContact ND2-O 3.08Å; N128-E182 HydrophobicContact CB-CB 4.05Å; N128-E182 HydrophobicContact CB-CG 4.28Å; N128-E182 PolarHBondContact OD1-N 3.04Å
129Y96.8Very high96.8Very high45 Ų4549 Ų4918%0.17625%0.246CC..Hα-helixtrans-58.8-29.7-175.283.7-80.5000113.8I126 D131 L132 K133 D148I126-Y129 WeakPolarHBondContact O-CB 3.43Å; I126-Y129 WeakPolarHBondContact O-CD1 3.31Å; I126-Y129 PolarHBondContact O-N 3.11Å; Y129-D131 VanDerWaalsContact C-N 3.34Å; Y129-D131 PolarHBondContact O-N 2.73Å; Y129-L132 PolarHBondContact O-N 2.97Å; Y129-K133 WeakPolarHBondContact O-CB 3.25Å; Y129-K133 PolarHBondContact O-N 2.9Å; Y129-D148 HydrophobicContact CD1-CB 4.09Å; Y129-D148 HydrophobicContact CD2-CB 4.13Å; Y129-D148 HydrophobicContact CG-CB 3.72Å
130K95.5Very high96.7Very high134 Ų13451.9 Ų51.958%0.58328%0.275SS*.Hα-helixtrans-64.5-39178.9-69.4-178.5179.8171.10112.2N128 K134N128-K130 PolarHBondContact O-N 3.11Å; N128-K130 VanDerWaalsContact O-N 3.12Å; K130-K134 WeakPolarHBondContact O-CG 3.47Å; K130-K134 PolarHBondContact O-N 3.23Å
131D97.5Very high96.7Very high110 Ų11053.4 Ų53.459%0.58828%0.281SS*.Hα-helixtrans-73.6-42.5179.1-62.3-41.1000110.5N128 Y129 K133 K134 F135N128-D131 PolarHBondContact O-N 2.64Å; N128-D131 VanDerWaalsContact O-N 3.12Å; Y129-D131 VanDerWaalsContact C-N 3.34Å; Y129-D131 PolarHBondContact O-N 2.73Å; D131-K133 PolarHBondContact O-N 3.3Å; D131-K134 PolarHBondContact O-N 2.93Å; D131-F135 WeakPolarHBondContact O-CB 3.19Å; D131-F135 PolarHBondContact O-N 3.09Å
132L98.1Very high96.6Very high13 Ų1360.1 Ų60.17%0.06832%0.317CS..Hα-helixtrans-59.9-44.3173.9-66.4174000111.8I126 N128 Y129 F135 L136 T151 L155 Q180 L181I126-L132 HydrophobicContact CG2-CD1 4.08Å; N128-L132 PolarHBondContact O-N 3.36Å; Y129-L132 PolarHBondContact O-N 2.97Å; L132-F135 PolarHBondContact O-N 2.8Å; L132-L136 WeakPolarHBondContact O-CB 3.07Å; L132-L136 WeakPolarHBondContact O-CD1 3.18Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.46Å; L132-L136 PolarHBondContact O-N 3.23Å; L132-T151 HydrophobicContact CB-CG2 4.42Å; L132-L155 HydrophobicContact CD2-CD2 4.19Å; L132-Q180 HydrophobicContact CD2-CB 4.21Å; L132-L181 HydrophobicContact CD1-CD2 3.66Å
133K97.8Very high96.6Very high56 Ų5661.8 Ų61.824%0.24332%0.324CS..Hα-helixtrans-59.2-52.1178.1-179.2163.6-178.31690111.3Y129 D131 F135 L136 E137 F143 T151Y129-K133 WeakPolarHBondContact O-CB 3.25Å; Y129-K133 PolarHBondContact O-N 2.9Å; D131-K133 PolarHBondContact O-N 3.3Å; K133-F135 VanDerWaalsContact C-N 3.3Å; K133-F135 PolarHBondContact O-N 2.8Å; K133-L136 PolarHBondContact O-N 2.96Å; K133-E137 WeakPolarHBondContact CE-OE1 3.29Å; K133-E137 HydrophobicContact CG-CG 4.35Å; K133-E137 WeakPolarHBondContact O-CB 3.35Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.46Å; K133-E137 PolarHBondContact O-N 2.95Å; K133-F143 HydrophobicContact CB-CE1 4.45Å; K133-F143 HydrophobicContact CB-CE2 4.45Å; K133-F143 HydrophobicContact CB-CZ 4.14Å; K133-F143 HydrophobicContact CD-CD1 4.13Å; K133-F143 HydrophobicContact CD-CD2 4.45Å; K133-F143 HydrophobicContact CD-CE1 4.32Å; K133-F143 HydrophobicContact CD-CG 4.2Å; K133-F143 HydrophobicContact CG-CD1 4.27Å; K133-F143 HydrophobicContact CG-CD2 3.99Å; K133-F143 HydrophobicContact CG-CE1 4.11Å; K133-F143 HydrophobicContact CG-CE2 3.82Å; K133-F143 HydrophobicContact CG-CG 4.22Å; K133-F143 HydrophobicContact CG-CZ 3.88Å; K133-T151 HydrophobicContact CB-CG2 3.99Å
134K97.8Very high96.7Very high145 Ų14564.3 Ų64.363%0.6334%0.336SS*.Hα-helixtrans-58.8-41.1177-74.8178.2179.6174.30112.5K130 D131 S138K130-K134 WeakPolarHBondContact O-CG 3.47Å; K130-K134 PolarHBondContact O-N 3.23Å; D131-K134 PolarHBondContact O-N 2.93Å; K134-S138 WeakPolarHBondContact O-CB 3.38Å; K134-S138 PolarHBondContact O-N 3.01Å
135F98.4Very high96.9Very high76 Ų7663.7 Ų63.733%0.33333%0.329SS..Hα-helixtrans-60.8-49.5176.3170.4-101.4000111.3D131 L132 K133 S138 K139 Y158D131-F135 WeakPolarHBondContact O-CB 3.19Å; D131-F135 PolarHBondContact O-N 3.09Å; L132-F135 PolarHBondContact O-N 2.8Å; K133-F135 VanDerWaalsContact C-N 3.3Å; K133-F135 PolarHBondContact O-N 2.8Å; F135-S138 WeakPolarHBondContact O-CB 3.39Å; F135-S138 PolarHBondContact O-N 3.24Å; F135-S138 PolarHBondContact O-OG 3.4Å; F135-K139 HydrophobicContact CE1-CG 4.41Å; F135-K139 HydrophobicContact CE2-CG 4.42Å; F135-K139 HydrophobicContact CZ-CG 4.22Å; F135-K139 WeakPolarHBondContact O-CG 3.16Å; F135-K139 PolarHBondContact O-N 3.24Å; F135-Y158 HydrophobicContact CE1-CD1 4.19Å; F135-Y158 AromaticContact CE1-CE1 3.88Å; F135-Y158 HydrophobicContact CE1-CE1 3.88Å; F135-Y158 HydrophobicContact CE1-CE2 4.22Å; F135-Y158 AromaticContact CE1-CZ 3.91Å; F135-Y158 AromaticContact CZ-CE1 3.9Å; F135-Y158 HydrophobicContact CZ-CE1 3.9Å; F135-Y158 HydrophobicContact CZ-CE2 4.13Å; F135-Y158 AromaticContact CZ-CZ 3.61Å
136L98.4Very high96.9Very high0 Ų068.6 Ų68.60%035%0.351CS..Hα-helixtrans-67.4-39.3-178.6-70.4162.4000112.5L132 K133 S138 K139 G140 Y141 F143 K154 L155 Y158L132-L136 WeakPolarHBondContact O-CB 3.07Å; L132-L136 WeakPolarHBondContact O-CD1 3.18Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.46Å; L132-L136 PolarHBondContact O-N 3.23Å; K133-L136 PolarHBondContact O-N 2.96Å; L136-S138 VanDerWaalsContact C-N 3.29Å; L136-S138 PolarHBondContact O-N 2.74Å; L136-K139 CarbonylContact O-C 3.57Å; L136-K139 WeakPolarHBondContact O-CA 3.44Å; L136-K139 WeakPolarHBondContact O-CB 3.29Å; L136-K139 PolarHBondContact O-N 2.9Å; L136-G140 PolarHBondContact O-N 3.3Å; L136-Y141 HydrophobicContact CD2-CD2 4.3Å; L136-Y141 PolarHBondContact O-N 3.2Å; L136-Y141 VanDerWaalsContact O-N 3.09Å; L136-F143 HydrophobicContact CB-CE2 3.92Å; L136-F143 HydrophobicContact CB-CZ 4.08Å; L136-F143 HydrophobicContact CD1-CZ 3.93Å; L136-K154 HydrophobicContact CD1-CB 3.72Å; L136-K154 HydrophobicContact CD2-CB 4.4Å; L136-L155 HydrophobicContact CD1-CB 4.26Å; L136-L155 HydrophobicContact CD2-CD1 4.2Å; L136-Y158 HydrophobicContact CD2-CG 4.22Å
137E98Very high96.9Very high94 Ų9468.7 Ų68.744%0.43935%0.352SS..Hα-helixtrans-58.5-41.5171.7-73.3171166.400110.9K133 K139 G140 F143K133-E137 WeakPolarHBondContact CE-OE1 3.29Å; K133-E137 HydrophobicContact CG-CG 4.35Å; K133-E137 WeakPolarHBondContact O-CB 3.35Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.46Å; K133-E137 PolarHBondContact O-N 2.95Å; E137-K139 PolarHBondContact O-N 3.31Å; E137-K139 VanDerWaalsContact O-N 3.16Å; E137-G140 PolarHBondContact O-N 3.25Å; E137-F143 HydrophobicContact CG-CD2 3.82Å; E137-F143 HydrophobicContact CG-CE2 3.97Å
138S98Very high97.1Very high89 Ų8964.7 Ų64.762%0.62233%0.327SS*.Hα-helixtrans-65-17.5175.4840000114.2K134 F135 L136K134-S138 WeakPolarHBondContact O-CB 3.38Å; K134-S138 PolarHBondContact O-N 3.01Å; F135-S138 WeakPolarHBondContact O-CB 3.39Å; F135-S138 PolarHBondContact O-N 3.24Å; F135-S138 PolarHBondContact O-OG 3.4Å; L136-S138 VanDerWaalsContact C-N 3.29Å; L136-S138 PolarHBondContact O-N 2.74Å
139K97.7Very high97.1Very high109 Ų10963.9 Ų63.947%0.47432%0.323SS..THydrogen-bonded Turntrans-97.13.1175.8-60.1-60.1-178.4-176.30113F135 L136 E137 Y141 Y158F135-K139 HydrophobicContact CE1-CG 4.41Å; F135-K139 HydrophobicContact CE2-CG 4.42Å; F135-K139 HydrophobicContact CZ-CG 4.22Å; F135-K139 WeakPolarHBondContact O-CG 3.16Å; F135-K139 PolarHBondContact O-N 3.24Å; L136-K139 CarbonylContact O-C 3.57Å; L136-K139 WeakPolarHBondContact O-CA 3.44Å; L136-K139 WeakPolarHBondContact O-CB 3.29Å; L136-K139 PolarHBondContact O-N 2.9Å; E137-K139 PolarHBondContact O-N 3.31Å; E137-K139 VanDerWaalsContact O-N 3.16Å; K139-Y141 HydrophobicContact CB-CD2 3.94Å; K139-Y141 HydrophobicContact CB-CE2 4Å; K139-Y158 HydrophobicContact CB-CD2 4.39Å; K139-Y158 HydrophobicContact CB-CE2 4.28Å; K139-Y158 HydrophobicContact CD-CE2 4.16Å; K139-Y158 HydrophobicContact CG-CD2 4.29Å; K139-Y158 HydrophobicContact CG-CE2 3.79Å
140G97.3Very high97.2Very high60 Ų6061.7 Ų61.762%0.61931%0.314SS*.THydrogen-bonded Turntrans88.518.7176.700000114.9L136 E137L136-G140 PolarHBondContact O-N 3.3Å; E137-G140 PolarHBondContact O-N 3.25Å
141Y97.9Very high97.3Very high32 Ų3255.3 Ų55.313%0.12529%0.287CS..PPolyproline II helixtrans-92117.8172.8-65.6-99000110.2L136 K139 K154 K157 Y158 D161L136-Y141 HydrophobicContact CD2-CD2 4.3Å; L136-Y141 PolarHBondContact O-N 3.2Å; L136-Y141 VanDerWaalsContact O-N 3.09Å; K139-Y141 HydrophobicContact CB-CD2 3.94Å; K139-Y141 HydrophobicContact CB-CE2 4Å; Y141-K154 HydrophobicContact CD1-CD 4.22Å; Y141-K157 HydrophobicContact CE1-CB 4.29Å; Y141-K157 HydrophobicContact CE1-CD 4.06Å; Y141-K157 HydrophobicContact CE1-CG 4.16Å; Y141-Y158 AromaticContact CE2-CD2 3.91Å; Y141-Y158 HydrophobicContact CE2-CD2 3.91Å; Y141-Y158 WeakPolarHBondContact OH-CA 3.13Å; Y141-D161 PolarHBondContact OH-OD2 3.03Å
142D96.9Very high97.3Very high142 Ų14250.1 Ų50.176%0.75926%0.259SS*.PPolyproline II helixtrans-82.8141.7175.7-62.2-38.7000111.5K154D142-K154 WeakPolarHBondContact O-CE 3.35Å
143F97.9Very high97.4Very high37 Ų3749.5 Ų49.516%0.16226%0.255CS..PPolyproline II helixtrans-102.9142176.4-76-103.5000111.1K133 L136 E137 E150 T151 K154K133-F143 HydrophobicContact CB-CE1 4.45Å; K133-F143 HydrophobicContact CB-CE2 4.45Å; K133-F143 HydrophobicContact CB-CZ 4.14Å; K133-F143 HydrophobicContact CD-CD1 4.13Å; K133-F143 HydrophobicContact CD-CD2 4.45Å; K133-F143 HydrophobicContact CD-CE1 4.32Å; K133-F143 HydrophobicContact CD-CG 4.2Å; K133-F143 HydrophobicContact CG-CD1 4.27Å; K133-F143 HydrophobicContact CG-CD2 3.99Å; K133-F143 HydrophobicContact CG-CE1 4.11Å; K133-F143 HydrophobicContact CG-CE2 3.82Å; K133-F143 HydrophobicContact CG-CG 4.22Å; K133-F143 HydrophobicContact CG-CZ 3.88Å; L136-F143 HydrophobicContact CB-CE2 3.92Å; L136-F143 HydrophobicContact CB-CZ 4.08Å; L136-F143 HydrophobicContact CD1-CZ 3.93Å; E137-F143 HydrophobicContact CG-CD2 3.82Å; E137-F143 HydrophobicContact CG-CE2 3.97Å; F143-E150 WeakPolarHBondContact CA-OE1 3.4Å; F143-E150 HydrophobicContact CD1-CB 4.14Å; F143-E150 HydrophobicContact CD1-CG 3.75Å; F143-E150 HydrophobicContact CE1-CB 4.29Å; F143-E150 HydrophobicContact CE1-CG 4.05Å; F143-T151 HydrophobicContact CE1-CG2 3.65Å; F143-T151 HydrophobicContact CZ-CG2 4.02Å; F143-K154 HydrophobicContact CE1-CG 4Å; F143-K154 HydrophobicContact CE2-CG 4.35Å; F143-K154 HydrophobicContact CZ-CB 4.23Å; F143-K154 HydrophobicContact CZ-CG 3.89Å
144E97.1Very high97.4Very high55 Ų5547.1 Ų47.126%0.25725%0.245SC..  trans-113-18.3177.163.5178.3-159.300114.1V105 R111 K114 E150V105-E144 HydrophobicContact CG1-CG 4.32Å; V105-E144 VanDerWaalsContact CG1-O 3.24Å; V105-E144 WeakPolarHBondContact CG1-O 3.41Å; R111-E144 IonicContact CZ-OE1 3.38Å; R111-E144 IonicContact CZ-OE2 3.57Å; R111-E144 IonicContact NE-OE1 2.71Å; R111-E144 PolarHBondContact NE-OE1 3.5Å; R111-E144 IonicContact NE-OE2 3.48Å; R111-E144 PolarHBondContact NE-OE2 3.02Å; R111-E144 IonicContact NH2-OE1 3.19Å; R111-E144 PolarHBondContact NH2-OE1 3.23Å; R111-E144 IonicContact NH2-OE2 2.83Å; R111-E144 PolarHBondContact NH2-OE2 3.33Å; K114-E144 IonicContact NZ-OE2 2.69Å; K114-E144 PolarHBondContact NZ-OE2 3.3Å; E144-E150 WeakPolarHBondContact CG-OE1 3.45Å; E144-E150 PolarHBondContact N-OE1 2.91Å; E144-E150 PolarHBondContact N-OE2 3.2Å
145S95.6Very high97.4Very high6 Ų640.3 Ų40.34%0.04222%0.216CC..  trans-113.8167.4-178.385.20000112.5N106 T147 E150N106-S145 WeakPolarHBondContact OD1-CB 3.49Å; S145-T147 VanDerWaalsContact C-N 3.34Å; S145-T147 PolarHBondContact OG-N 3.21Å; S145-T147 PolarHBondContact OG-OG1 2.95Å; S145-E150 VanDerWaalsContact CA-OE2 3.3Å; S145-E150 WeakPolarHBondContact CA-OE2 3.27Å; S145-E150 WeakPolarHBondContact CB-OE2 3.45Å; S145-E150 PolarHBondContact N-OE2 2.96Å; S145-E150 WeakPolarHBondContact OG-CB 3.39Å; S145-E150 PolarHBondContact OG-OE2 3.04Å
146E93.4Very high97.4Very high130 Ų13036.7 Ų36.761%0.60720%0.2SC*.SBendtrans-96.36.9172.7-63.2178.9170.800112.2N106N106-E146 PolarHBondContact OD1-N 2.9Å; N106-E146 VanDerWaalsContact OD1-N 3.13Å
147T95.3Very high97.4Very high3 Ų337.9 Ų37.92%0.01821%0.205CC..  trans-83.8142.8-174.671.20000111.6N106 Q110 S145 T149 E150N106-T147 HydrophobicContact CB-CG2 3.75Å; N106-T147 WeakPolarHBondContact O-CG2 3.34Å; Q110-T147 PolarHBondContact NE2-OG1 2.89Å; S145-T147 VanDerWaalsContact C-N 3.34Å; S145-T147 PolarHBondContact OG-N 3.21Å; S145-T147 PolarHBondContact OG-OG1 2.95Å; T147-T149 PolarHBondContact O-N 3.24Å; T147-E150 PolarHBondContact O-N 3.31Å; T147-E150 PolarHBondContact OG1-N 3.25Å
148D95.7Very high97.5Very high4 Ų435.5 Ų35.52%0.02119%0.192CC..THydrogen-bonded Turntrans-57.3-36.5166.564.6-31.7000111.6H122 I125 I126 Y129 E150 T151H122-D148 IonicContact CE1-OD2 2.75Å; I125-D148 WeakPolarHBondContact CA-OD2 3.49Å; I126-D148 HydrophobicContact CB-CB 4.26Å; I126-D148 PolarHBondContact N-OD2 3.44Å; Y129-D148 HydrophobicContact CD1-CB 4.09Å; Y129-D148 HydrophobicContact CD2-CB 4.13Å; Y129-D148 HydrophobicContact CG-CB 3.72Å; D148-E150 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 3.16Å; D148-T151 WeakPolarHBondContact O-CB 3.04Å; D148-T151 PolarHBondContact O-N 3.34Å; D148-T151 VanDerWaalsContact O-N 3.12Å; D148-T151 PolarHBondContact O-OG1 2.97Å
149T97.6Very high97.4Very high1 Ų132.5 Ų32.51%0.00617%0.169CC..Hα-helixtrans-60.3-33.6-176.4-57.20000113.4H108 Q110 V120 H122 T147 T151 I152H108-T149 PolarHBondContact CE1-OG1 3.25Å; H108-T149 VanDerWaalsContact CE1-OG1 3.23Å; H108-T149 WeakPolarHBondContact NE2-CB 3.49Å; H108-T149 PolarHBondContact NE2-OG1 2.92Å; Q110-T149 HydrophobicContact CB-CG2 3.99Å; Q110-T149 HydrophobicContact CG-CG2 3.68Å; V120-T149 HydrophobicContact CG1-CG2 4.19Å; H122-T149 HydrophobicContact CB-CG2 3.45Å; H122-T149 VanDerWaalsContact CB-CG2 3.45Å; H122-T149 PolarHBondContact ND1-OG1 3.07Å; T147-T149 PolarHBondContact O-N 3.24Å; T149-T151 PolarHBondContact O-N 3.04Å; T149-I152 WeakPolarHBondContact O-CB 3.35Å; T149-I152 PolarHBondContact O-N 3.1Å
150E98.4Very high97.4Very high0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-61.7-30.6179.1-174.2177.5-17300112.3Q110 F143 E144 S145 T147 D148 I152 A153 K154Q110-E150 HydrophobicContact CG-CB 4.39Å; F143-E150 WeakPolarHBondContact CA-OE1 3.4Å; F143-E150 HydrophobicContact CD1-CB 4.14Å; F143-E150 HydrophobicContact CD1-CG 3.75Å; F143-E150 HydrophobicContact CE1-CB 4.29Å; F143-E150 HydrophobicContact CE1-CG 4.05Å; E144-E150 WeakPolarHBondContact CG-OE1 3.45Å; E144-E150 PolarHBondContact N-OE1 2.91Å; E144-E150 PolarHBondContact N-OE2 3.2Å; S145-E150 VanDerWaalsContact CA-OE2 3.3Å; S145-E150 WeakPolarHBondContact CA-OE2 3.27Å; S145-E150 WeakPolarHBondContact CB-OE2 3.45Å; S145-E150 PolarHBondContact N-OE2 2.96Å; S145-E150 WeakPolarHBondContact OG-CB 3.39Å; S145-E150 PolarHBondContact OG-OE2 3.04Å; T147-E150 PolarHBondContact O-N 3.31Å; T147-E150 PolarHBondContact OG1-N 3.25Å; D148-E150 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 3.16Å; E150-I152 PolarHBondContact O-N 3.33Å; E150-A153 PolarHBondContact O-N 3.32Å; E150-K154 HydrophobicContact CG-CG 4.26Å; E150-K154 VanDerWaalsContact CG-NZ 3.34Å; E150-K154 WeakPolarHBondContact O-CG 3.41Å; E150-K154 PolarHBondContact O-N 3.26Å; E150-K154 IonicContact OE1-NZ 3.94Å; E150-K154 PolarHBondContact OE1-NZ 3.4Å
151T98.3Very high97.4Very high0 Ų029.9 Ų29.90%014%0.143CC..Hα-helixtrans-59.8-33.4176.266.70000111.8L132 K133 F143 D148 T149 L155L132-T151 HydrophobicContact CB-CG2 4.42Å; K133-T151 HydrophobicContact CB-CG2 3.99Å; F143-T151 HydrophobicContact CE1-CG2 3.65Å; F143-T151 HydrophobicContact CZ-CG2 4.02Å; D148-T151 WeakPolarHBondContact O-CB 3.04Å; D148-T151 PolarHBondContact O-N 3.34Å; D148-T151 VanDerWaalsContact O-N 3.12Å; D148-T151 PolarHBondContact O-OG1 2.97Å; T149-T151 PolarHBondContact O-N 3.04Å; T151-L155 WeakPolarHBondContact O-CB 3.33Å; T151-L155 PolarHBondContact O-N 3.4Å
152I98.6Very high97.2Very high0 Ų032.7 Ų32.70%016%0.16CC..Hα-helixtrans-66.7-46178.2-50.3177.6000110.5V120 H122 I126 T149 E150 L155 V156 V177 L181 L187 F189V120-I152 HydrophobicContact CG1-CB 4.32Å; V120-I152 HydrophobicContact CG1-CG2 4.4Å; V120-I152 HydrophobicContact CG2-CG2 4.32Å; H122-I152 HydrophobicContact CB-CD1 4.43Å; I126-I152 HydrophobicContact CD1-CD1 3.91Å; I126-I152 HydrophobicContact CG1-CD1 3.75Å; I126-I152 HydrophobicContact CG1-CG1 4.08Å; T149-I152 WeakPolarHBondContact O-CB 3.35Å; T149-I152 PolarHBondContact O-N 3.1Å; E150-I152 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 2.92Å; I152-V156 PolarHBondContact O-N 2.88Å; I152-V177 HydrophobicContact CG2-CG1 4.06Å; I152-L181 HydrophobicContact CD1-CD1 4.26Å; I152-L181 HydrophobicContact CG1-CD1 4.18Å; I152-L181 HydrophobicContact CG1-CD2 4.23Å; I152-L181 HydrophobicContact CG2-CD1 4.31Å; I152-L187 HydrophobicContact CD1-CD1 4.31Å; I152-L187 HydrophobicContact CD1-CD2 3.58Å; I152-L187 HydrophobicContact CG2-CD1 4.17Å; I152-F189 HydrophobicContact CG2-CE1 3.76Å; I152-F189 HydrophobicContact CG2-CZ 3.53Å
153A98.6Very high96.9Very high0 Ų027.7 Ų27.70%013%0.132CC..Hα-helixtrans-64.7-41.7179.200000111.8Q110 S112 V120 E150 V156 K157Q110-A153 HydrophobicContact CB-CB 4.44Å; S112-A153 VanDerWaalsContact CB-O 3.25Å; S112-A153 WeakPolarHBondContact CB-O 3.45Å; V120-A153 HydrophobicContact CG1-CB 3.91Å; E150-A153 PolarHBondContact O-N 3.32Å; A153-V156 WeakPolarHBondContact O-CG1 3.48Å; A153-K157 PolarHBondContact O-N 3.43Å
154K98.6Very high96.3Very high7 Ų734 Ų343%0.0316%0.162CC..Hα-helixtrans-66.4-40.7174.8-63.7-54.9-175.7-69.20111.8R111 S112 L136 Y141 D142 F143 E150 K157 Y158R111-K154 PolarHBondContact O-NZ 2.99Å; S112-K154 WeakPolarHBondContact O-CD 3.16Å; S112-K154 WeakPolarHBondContact O-CE 3.32Å; L136-K154 HydrophobicContact CD1-CB 3.72Å; L136-K154 HydrophobicContact CD2-CB 4.4Å; Y141-K154 HydrophobicContact CD1-CD 4.22Å; D142-K154 WeakPolarHBondContact O-CE 3.35Å; F143-K154 HydrophobicContact CE1-CG 4Å; F143-K154 HydrophobicContact CE2-CG 4.35Å; F143-K154 HydrophobicContact CZ-CB 4.23Å; F143-K154 HydrophobicContact CZ-CG 3.89Å; E150-K154 HydrophobicContact CG-CG 4.26Å; E150-K154 VanDerWaalsContact CG-NZ 3.34Å; E150-K154 WeakPolarHBondContact O-CG 3.41Å; E150-K154 PolarHBondContact O-N 3.26Å; E150-K154 IonicContact OE1-NZ 3.94Å; E150-K154 PolarHBondContact OE1-NZ 3.4Å; K154-K157 PolarHBondContact O-N 3.47Å; K154-Y158 PolarHBondContact O-N 3.17Å
155L98.6Very high95.8Very high2 Ų234.3 Ų34.31%0.0117%0.17CC..Hα-helixtrans-68.2-39.5-178.1-171.661.7000112.7L132 L136 T151 I152 K157 Y158 M159 V177 Q180 L181L132-L155 HydrophobicContact CD2-CD2 4.19Å; L136-L155 HydrophobicContact CD1-CB 4.26Å; L136-L155 HydrophobicContact CD2-CD1 4.2Å; T151-L155 WeakPolarHBondContact O-CB 3.33Å; T151-L155 PolarHBondContact O-N 3.4Å; I152-L155 PolarHBondContact O-N 2.92Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.09Å; L155-Y158 HydrophobicContact CD1-CD1 4.27Å; L155-Y158 WeakPolarHBondContact O-CB 3.49Å; L155-Y158 PolarHBondContact O-N 3.18Å; L155-M159 HydrophobicContact CD1-CE 3.94Å; L155-M159 HydrophobicContact CG-CE 4.25Å; L155-M159 WeakPolarHBondContact O-CG 3.48Å; L155-M159 PolarHBondContact O-N 2.85Å; L155-V177 HydrophobicContact CD2-CG1 4.2Å; L155-V177 HydrophobicContact CG-CG2 4.24Å; L155-Q180 HydrophobicContact CD2-CB 3.91Å; L155-Q180 HydrophobicContact CD2-CG 4.38Å; L155-L181 HydrophobicContact CD2-CD2 4.23Å
156V98.4Very high95.2Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-63.3-37.8175.766.50000111.4F118 I152 A153 M159 Y160 L173 V177 F189F118-V156 HydrophobicContact CB-CG1 3.69Å; F118-V156 HydrophobicContact CD1-CG1 3.91Å; F118-V156 HydrophobicContact CD1-CG2 3.94Å; F118-V156 HydrophobicContact CE1-CG2 4.1Å; F118-V156 HydrophobicContact CG-CG1 3.82Å; I152-V156 PolarHBondContact O-N 2.88Å; A153-V156 WeakPolarHBondContact O-CG1 3.48Å; V156-M159 PolarHBondContact O-N 3.46Å; V156-Y160 PolarHBondContact O-N 2.88Å; V156-L173 HydrophobicContact CG2-CB 4.21Å; V156-V177 HydrophobicContact CB-CG2 3.8Å; V156-V177 HydrophobicContact CG2-CG2 4.22Å; V156-F189 HydrophobicContact CB-CE1 4.2Å; V156-F189 HydrophobicContact CG1-CD1 4.32Å; V156-F189 HydrophobicContact CG1-CE1 4.13Å
157K98.4Very high94.8Very high25 Ų2542.5 Ų42.511%0.10921%0.213CC..Hα-helixtrans-66.3-41.7173.8-170.1-179.8-171.7-400111.9D113 E117 F118 Y141 A153 K154 L155 M159 Y160 D161D113-K157 HydrophobicContact CB-CD 4.43Å; D113-K157 WeakPolarHBondContact OD2-CD 3.45Å; D113-K157 VanDerWaalsContact OD2-CE 3.3Å; D113-K157 WeakPolarHBondContact OD2-CE 3.4Å; E117-K157 VanDerWaalsContact CD-CE 3.49Å; E117-K157 IonicContact OE1-NZ 3.66Å; E117-K157 VanDerWaalsContact OE2-CE 3.3Å; E117-K157 WeakPolarHBondContact OE2-CE 3.34Å; E117-K157 IonicContact OE2-NZ 2.76Å; F118-K157 HydrophobicContact CD2-CB 4Å; F118-K157 HydrophobicContact CD2-CG 4.22Å; F118-K157 HydrophobicContact CE2-CB 4.38Å; F118-K157 HydrophobicContact CE2-CG 4.35Å; Y141-K157 HydrophobicContact CE1-CB 4.29Å; Y141-K157 HydrophobicContact CE1-CD 4.06Å; Y141-K157 HydrophobicContact CE1-CG 4.16Å; A153-K157 PolarHBondContact O-N 3.43Å; K154-K157 PolarHBondContact O-N 3.47Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.09Å; K157-M159 VanDerWaalsContact C-N 3.3Å; K157-M159 PolarHBondContact O-N 3.43Å; K157-Y160 WeakPolarHBondContact O-CB 3.41Å; K157-Y160 PolarHBondContact O-N 3.32Å; K157-Y160 VanDerWaalsContact O-N 3.1Å; K157-D161 IonicContact NZ-OD1 2.67Å; K157-D161 PolarHBondContact NZ-OD1 3.49Å; K157-D161 IonicContact NZ-OD2 2.97Å; K157-D161 PolarHBondContact NZ-OD2 3.24Å; K157-D161 WeakPolarHBondContact O-CB 3.43Å; K157-D161 VanDerWaalsContact O-CG 3.23Å; K157-D161 PolarHBondContact O-N 3.13Å
158Y98.4Very high94.6Very high44 Ų4442.8 Ų42.817%0.17322%0.215CC..Hα-helixtrans-56.2-43.8172.3175.5-93.9000112.3F135 L136 K139 Y141 K154 L155 Y160 D161 N162F135-Y158 HydrophobicContact CE1-CD1 4.19Å; F135-Y158 AromaticContact CE1-CE1 3.88Å; F135-Y158 HydrophobicContact CE1-CE1 3.88Å; F135-Y158 HydrophobicContact CE1-CE2 4.22Å; F135-Y158 AromaticContact CE1-CZ 3.91Å; F135-Y158 AromaticContact CZ-CE1 3.9Å; F135-Y158 HydrophobicContact CZ-CE1 3.9Å; F135-Y158 HydrophobicContact CZ-CE2 4.13Å; F135-Y158 AromaticContact CZ-CZ 3.61Å; L136-Y158 HydrophobicContact CD2-CG 4.22Å; K139-Y158 HydrophobicContact CB-CD2 4.39Å; K139-Y158 HydrophobicContact CB-CE2 4.28Å; K139-Y158 HydrophobicContact CD-CE2 4.16Å; K139-Y158 HydrophobicContact CG-CD2 4.29Å; K139-Y158 HydrophobicContact CG-CE2 3.79Å; Y141-Y158 AromaticContact CE2-CD2 3.91Å; Y141-Y158 HydrophobicContact CE2-CD2 3.91Å; Y141-Y158 WeakPolarHBondContact OH-CA 3.13Å; K154-Y158 PolarHBondContact O-N 3.17Å; L155-Y158 HydrophobicContact CD1-CD1 4.27Å; L155-Y158 WeakPolarHBondContact O-CB 3.49Å; L155-Y158 PolarHBondContact O-N 3.18Å; Y158-Y160 VanDerWaalsContact C-N 3.29Å; Y158-Y160 PolarHBondContact O-N 3.07Å; Y158-D161 PolarHBondContact O-N 2.89Å; Y158-N162 WeakPolarHBondContact CD2-OD1 3.37Å; Y158-N162 WeakPolarHBondContact CE2-OD1 3.39Å; Y158-N162 VanDerWaalsContact CZ-OD1 3.31Å; Y158-N162 WeakPolarHBondContact O-CB 3.36Å; Y158-N162 PolarHBondContact O-N 3.33Å; Y158-N162 VanDerWaalsContact O-N 3.12Å; Y158-N162 PolarHBondContact O-OD1 3.16Å
159M97.5Very high94.5Very high26 Ų2645.3 Ų45.313%0.12823%0.232CC..Hα-helixtrans-64.4-34.1176.6-64-59.7174.300112.8L155 V156 K157 Q163 L173 R176 V177 Q180L155-M159 HydrophobicContact CD1-CE 3.94Å; L155-M159 HydrophobicContact CG-CE 4.25Å; L155-M159 WeakPolarHBondContact O-CG 3.48Å; L155-M159 PolarHBondContact O-N 2.85Å; V156-M159 PolarHBondContact O-N 3.46Å; K157-M159 VanDerWaalsContact C-N 3.3Å; K157-M159 PolarHBondContact O-N 3.43Å; M159-Q163 PolarHBondContact O-N 2.81Å; M159-L173 HydrophobicContact CB-CD2 4.13Å; M159-R176 HydrophobicContact CE-CB 4.21Å; M159-R176 HydrophobicContact CG-CB 4.05Å; M159-R176 HydrophobicContact SD-CB 3.82Å; M159-V177 HydrophobicContact CG-CG2 4.01Å; M159-Q180 HydrophobicContact CE-CG 4.04Å
160Y97.3Very high94.5Very high43 Ų4345.3 Ų45.317%0.16923%0.232CC..Hα-helixtrans-70.6-48.9175.7179.8-106.3000111.9F118 V156 K157 Y158 N162 Q163 L173 H193 F194F118-Y160 HydrophobicContact CE2-CD1 4Å; F118-Y160 AromaticContact CE2-CG 3.96Å; F118-Y160 HydrophobicContact CE2-CG 3.96Å; F118-Y160 HydrophobicContact CZ-CD1 4.17Å; F118-Y160 HydrophobicContact CZ-CD2 4.02Å; F118-Y160 AromaticContact CZ-CG 3.72Å; F118-Y160 HydrophobicContact CZ-CG 3.72Å; V156-Y160 PolarHBondContact O-N 2.88Å; K157-Y160 WeakPolarHBondContact O-CB 3.41Å; K157-Y160 PolarHBondContact O-N 3.32Å; K157-Y160 VanDerWaalsContact O-N 3.1Å; Y158-Y160 VanDerWaalsContact C-N 3.29Å; Y158-Y160 PolarHBondContact O-N 3.07Å; Y160-N162 PolarHBondContact O-N 3.24Å; Y160-N162 VanDerWaalsContact O-N 3.12Å; Y160-Q163 WeakPolarHBondContact O-CB 3.48Å; Y160-Q163 WeakPolarHBondContact O-CG 3.31Å; Y160-Q163 PolarHBondContact O-N 3.15Å; Y160-Q163 VanDerWaalsContact O-N 3.12Å; Y160-L173 HydrophobicContact CD2-CD1 3.88Å; Y160-L173 HydrophobicContact CG-CD1 4.49Å; Y160-H193 AromaticContact CE1-CD2 3.57Å; Y160-H193 AromaticContact CE1-CE1 3.68Å; Y160-H193 AromaticContact CE1-CG 3.9Å; Y160-H193 AromaticContact CE1-ND1 3.97Å; Y160-H193 AromaticContact CE1-NE2 3.41Å; Y160-H193 WeakPolarHBondContact CE1-NE2 3.47Å; Y160-H193 HydrophobicContact CE2-CB 4.19Å; Y160-H193 AromaticContact CZ-CD2 3.67Å; Y160-H193 AromaticContact CZ-CE1 3.9Å; Y160-H193 AromaticContact CZ-CG 3.53Å; Y160-H193 AromaticContact CZ-ND1 3.69Å; Y160-H193 AromaticContact CZ-NE2 3.88Å; Y160-H193 PolarHBondContact OH-ND1 3.4Å; Y160-H193 VanDerWaalsContact OH-ND1 3.09Å; Y160-F194 HydrophobicContact CD2-CE2 4.47Å; Y160-F194 HydrophobicContact CE2-CE2 4.49Å; Y160-F194 HydrophobicContact CE2-CZ 4.49Å
161D96.5Very high94.3Very high70 Ų7045.7 Ų45.737%0.37424%0.235SC..Hα-helixtrans-62.4-22.6179.8-64.7-17.4000111.8Y141 K157 Y158Y141-D161 PolarHBondContact OH-OD2 3.03Å; K157-D161 IonicContact NZ-OD1 2.67Å; K157-D161 PolarHBondContact NZ-OD1 3.49Å; K157-D161 IonicContact NZ-OD2 2.97Å; K157-D161 PolarHBondContact NZ-OD2 3.24Å; K157-D161 WeakPolarHBondContact O-CB 3.43Å; K157-D161 VanDerWaalsContact O-CG 3.23Å; K157-D161 PolarHBondContact O-N 3.13Å; Y158-D161 PolarHBondContact O-N 2.89Å
162N94.8Very high94.1Very high92 Ų9245.9 Ų45.949%0.49224%0.236SC..THydrogen-bonded Turntrans-111.726.1177.7-61.7123000114.2Y158 Y160Y158-N162 WeakPolarHBondContact CD2-OD1 3.37Å; Y158-N162 WeakPolarHBondContact CE2-OD1 3.39Å; Y158-N162 VanDerWaalsContact CZ-OD1 3.31Å; Y158-N162 WeakPolarHBondContact O-CB 3.36Å; Y158-N162 PolarHBondContact O-N 3.33Å; Y158-N162 VanDerWaalsContact O-N 3.12Å; Y158-N162 PolarHBondContact O-OD1 3.16Å; Y160-N162 PolarHBondContact O-N 3.24Å; Y160-N162 VanDerWaalsContact O-N 3.12Å
163Q89.1Confident94Very high37 Ų3745.9 Ų45.917%0.17324%0.236CC..  trans-67.4144.3178.568.8-173.5-7.500113.2M159 Y160 S165M159-Q163 PolarHBondContact O-N 2.81Å; Y160-Q163 WeakPolarHBondContact O-CB 3.48Å; Y160-Q163 WeakPolarHBondContact O-CG 3.31Å; Y160-Q163 PolarHBondContact O-N 3.15Å; Y160-Q163 VanDerWaalsContact O-N 3.12Å; Q163-S165 WeakPolarHBondContact CG-O 3.41Å
164E86.4Confident93.9Very high168 Ų16845.9 Ų45.979%0.78524%0.236SC*.SBendtrans-78.7-27.7-177.9-63.8178.1169.200112.4R176E164-R176 IonicContact OE2-NH2 2.7Å
165S87Confident93.7Very high63 Ų6345.9 Ų45.944%0.44124%0.236SC..SBendtrans-135.6147.3-178.853.80000110.2Q163 D167 T168Q163-S165 WeakPolarHBondContact CG-O 3.41Å; S165-D167 PolarHBondContact O-N 3.38Å; S165-T168 PolarHBondContact O-N 3.24Å; S165-T168 PolarHBondContact O-OG1 3.38Å; S165-T168 PolarHBondContact OG-OG1 3.17Å; S165-T168 VanDerWaalsContact OG-OG1 3.12Å
166Q82.3Confident93.6Very high156 Ų15648.7 Ų48.773%0.72925%0.247SC*.THydrogen-bonded Turntrans-62.4-26.7176.9-15968.511.100112.5T168Q166-T168 VanDerWaalsContact C-N 3.34Å; Q166-T168 PolarHBondContact O-N 2.84Å
167D84.3Confident93.5Very high152 Ų15248.7 Ų48.781%0.81325%0.247SC*.THydrogen-bonded Turntrans-9727.8-175.7-52.3-30.7000112.9S165 S169S165-D167 PolarHBondContact O-N 3.38Å; D167-S169 PolarHBondContact O-N 3.26Å
168T91.9Very high93.4Very high9 Ų947.5 Ų47.56%0.05524%0.241CC..  trans-67.3120.9179.4-57.60000109.7S165 Q166 T172 L173S165-T168 PolarHBondContact O-N 3.24Å; S165-T168 PolarHBondContact O-OG1 3.38Å; S165-T168 PolarHBondContact OG-OG1 3.17Å; S165-T168 VanDerWaalsContact OG-OG1 3.12Å; Q166-T168 VanDerWaalsContact C-N 3.34Å; Q166-T168 PolarHBondContact O-N 2.84Å; T168-T172 HydrophobicContact CG2-CG2 3.52Å; T168-L173 HydrophobicContact CG2-CD2 3.87Å; T168-L173 HydrophobicContact CG2-CG 4.29Å
169S94Very high93.3Very high56 Ų5650.5 Ų50.539%0.39226%0.257SS..  trans-65.6151.1-178.370.20000112.5D167 T171 T172 L173D167-S169 PolarHBondContact O-N 3.26Å; S169-T171 VanDerWaalsContact C-N 3.26Å; S169-T171 PolarHBondContact O-N 2.87Å; S169-T172 WeakPolarHBondContact O-CA 3.5Å; S169-T172 WeakPolarHBondContact O-CB 3.33Å; S169-T172 PolarHBondContact O-N 2.81Å; S169-T172 PolarHBondContact OG-N 3.08Å; S169-T172 PolarHBondContact OG-OG1 3.38Å; S169-L173 PolarHBondContact O-N 3.45Å
170F96.4Very high93.3Very high1 Ų153.9 Ų53.90%0.00427%0.272CS..Hα-helixtrans-56.7-41.6177.4-161.4179.5000112F118 T172 L173 V174 F189 F194 Q197 V199F118-F170 HydrophobicContact CD1-CE2 4.12Å; F118-F170 HydrophobicContact CD1-CZ 4.41Å; F118-F170 AromaticContact CE1-CE2 3.99Å; F118-F170 HydrophobicContact CE1-CE2 3.99Å; F170-T172 PolarHBondContact O-N 3.19Å; F170-L173 WeakPolarHBondContact O-CB 3.42Å; F170-L173 PolarHBondContact O-N 3.3Å; F170-L173 VanDerWaalsContact O-N 3.12Å; F170-V174 HydrophobicContact CD2-CG2 4.16Å; F170-V174 HydrophobicContact CE2-CG2 4.14Å; F170-V174 PolarHBondContact O-N 3.09Å; F170-V174 VanDerWaalsContact O-N 3.14Å; F170-F189 HydrophobicContact CE1-CB 4.48Å; F170-F189 HydrophobicContact CE2-CB 4.11Å; F170-F189 HydrophobicContact CZ-CB 3.66Å; F170-F194 HydrophobicContact CB-CB 4.32Å; F170-F194 HydrophobicContact CB-CD1 3.8Å; F170-F194 HydrophobicContact CB-CD2 3.9Å; F170-F194 HydrophobicContact CB-CE1 4.02Å; F170-F194 HydrophobicContact CB-CE2 4.14Å; F170-F194 HydrophobicContact CB-CG 3.73Å; F170-F194 HydrophobicContact CB-CZ 4.19Å; F170-F194 HydrophobicContact CD1-CB 3.57Å; F170-F194 AromaticContact CD1-CD2 3.83Å; F170-F194 HydrophobicContact CD1-CD2 3.83Å; F170-F194 AromaticContact CD1-CG 3.75Å; F170-F194 HydrophobicContact CD1-CG 3.75Å; F170-F194 AromaticContact CD2-CD2 3.83Å; F170-F194 HydrophobicContact CD2-CD2 3.83Å; F170-F194 HydrophobicContact CD2-CE2 4.02Å; F170-F194 HydrophobicContact CD2-CG 4.45Å; F170-F194 HydrophobicContact CE1-CB 4.07Å; F170-F194 HydrophobicContact CE1-CD2 4.27Å; F170-F194 HydrophobicContact CE1-CG 4.45Å; F170-F194 HydrophobicContact CE2-CD2 4.28Å; F170-F194 HydrophobicContact CG-CB 4.11Å; F170-F194 HydrophobicContact CG-CD1 4.33Å; F170-F194 AromaticContact CG-CD2 3.59Å; F170-F194 HydrophobicContact CG-CD2 3.59Å; F170-F194 HydrophobicContact CG-CE2 4.06Å; F170-F194 AromaticContact CG-CG 3.75Å; F170-F194 HydrophobicContact CG-CG 3.75Å; F170-F194 HydrophobicContact CZ-CD2 4.47Å; F170-Q197 HydrophobicContact CD1-CB 4.13Å; F170-V199 HydrophobicContact CB-CG2 3.95Å; F170-V199 HydrophobicContact CD1-CG2 3.6Å; F170-V199 HydrophobicContact CD2-CG2 4.12Å; F170-V199 HydrophobicContact CE1-CG2 4.11Å; F170-V199 HydrophobicContact CG-CG2 3.6Å
171T95.1Very high93.3Very high8 Ų852 Ų525%0.04927%0.265CS..Hα-helixtrans-52.6-41.5172.8-46.50000112.2S169 L173 V174 E175 V299 A301 H310S169-T171 VanDerWaalsContact C-N 3.26Å; S169-T171 PolarHBondContact O-N 2.87Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L173 PolarHBondContact O-N 3.47Å; T171-V174 PolarHBondContact O-N 3.18Å; T171-E175 HydrophobicContact CG2-CG 4.48Å; T171-E175 WeakPolarHBondContact O-CB 3.32Å; T171-E175 WeakPolarHBondContact O-CG 3.5Å; T171-E175 PolarHBondContact O-N 3.49Å; T171-V299 HydrophobicContact CG2-CB 4.34Å; T171-V299 HydrophobicContact CG2-CG1 3.74Å; T171-A301 VanDerWaalsContact OG1-CB 3.23Å; T171-A301 WeakPolarHBondContact OG1-CB 3.37Å; T171-H310 HydrophobicContact CG2-CB 4.1Å
172T94.1Very high93.2Very high5 Ų554.1 Ų54.13%0.03127%0.273CS..Hα-helixtrans-63.6-40.8-179.7-58.90000112.2T168 S169 F170 R176 R227T168-T172 HydrophobicContact CG2-CG2 3.52Å; S169-T172 WeakPolarHBondContact O-CA 3.5Å; S169-T172 WeakPolarHBondContact O-CB 3.33Å; S169-T172 PolarHBondContact O-N 2.81Å; S169-T172 PolarHBondContact OG-N 3.08Å; S169-T172 PolarHBondContact OG-OG1 3.38Å; F170-T172 PolarHBondContact O-N 3.19Å; T172-R176 WeakPolarHBondContact O-CG 3.48Å; T172-R176 PolarHBondContact O-N 3.02Å; T172-R176 VanDerWaalsContact O-N 3.14Å; T172-R227 VanDerWaalsContact CG2-NH1 3.32Å; T172-R227 PolarHBondContact OG1-NH1 2.88Å; T172-R227 PolarHBondContact OG1-NH2 3.08Å
173L96.6Very high93Very high0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-64.6-47.2178.6-58.2175.3000109.8F118 V156 M159 Y160 T168 S169 F170 T171 E175 R176 V177 F194F118-L173 HydrophobicContact CE1-CD1 4.43Å; F118-L173 HydrophobicContact CZ-CD1 4.46Å; V156-L173 HydrophobicContact CG2-CB 4.21Å; M159-L173 HydrophobicContact CB-CD2 4.13Å; Y160-L173 HydrophobicContact CD2-CD1 3.88Å; Y160-L173 HydrophobicContact CG-CD1 4.49Å; T168-L173 HydrophobicContact CG2-CD2 3.87Å; T168-L173 HydrophobicContact CG2-CG 4.29Å; S169-L173 PolarHBondContact O-N 3.45Å; F170-L173 WeakPolarHBondContact O-CB 3.42Å; F170-L173 PolarHBondContact O-N 3.3Å; F170-L173 VanDerWaalsContact O-N 3.12Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L173 PolarHBondContact O-N 3.47Å; L173-E175 PolarHBondContact O-N 3.33Å; L173-R176 PolarHBondContact O-N 3.41Å; L173-V177 WeakPolarHBondContact O-CG2 3.49Å; L173-V177 PolarHBondContact O-N 2.86Å; L173-F194 HydrophobicContact CD1-CE2 3.64Å; L173-F194 HydrophobicContact CD1-CZ 3.8Å
174V96.8Very high93.1Very high0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-65-40179.3177.70000111.7F170 T171 R176 V177 I178 F189 V199 T201 V299F170-V174 HydrophobicContact CD2-CG2 4.16Å; F170-V174 HydrophobicContact CE2-CG2 4.14Å; F170-V174 PolarHBondContact O-N 3.09Å; F170-V174 VanDerWaalsContact O-N 3.14Å; T171-V174 PolarHBondContact O-N 3.18Å; V174-R176 VanDerWaalsContact C-N 3.31Å; V174-R176 PolarHBondContact O-N 3.3Å; V174-V177 WeakPolarHBondContact O-CB 3.44Å; V174-V177 PolarHBondContact O-N 3.34Å; V174-V177 VanDerWaalsContact O-N 3.14Å; V174-I178 HydrophobicContact CG1-CG2 4.31Å; V174-I178 WeakPolarHBondContact O-CG1 3.39Å; V174-I178 PolarHBondContact O-N 2.75Å; V174-F189 HydrophobicContact CG1-CD2 4.1Å; V174-F189 HydrophobicContact CG1-CE2 3.75Å; V174-F189 HydrophobicContact CG1-CZ 4.44Å; V174-F189 HydrophobicContact CG2-CD2 3.85Å; V174-F189 HydrophobicContact CG2-CE2 4.08Å; V174-F189 HydrophobicContact CG2-CG 4.09Å; V174-V199 HydrophobicContact CB-CG1 3.86Å; V174-V199 HydrophobicContact CG1-CG1 3.86Å; V174-V199 HydrophobicContact CG2-CB 4.04Å; V174-V199 HydrophobicContact CG2-CG1 3.74Å; V174-V199 HydrophobicContact CG2-CG2 4.45Å; V174-T201 HydrophobicContact CG1-CG2 3.93Å; V174-V299 HydrophobicContact CG1-CG1 4.22Å
175E94.7Very high93.5Very high6 Ų643 Ų433%0.02823%0.232CC..Hα-helixtrans-57-43173-80177.5-175.600112.3T171 L173 V177 I178 Q179 R227 V299 I312T171-E175 HydrophobicContact CG2-CG 4.48Å; T171-E175 WeakPolarHBondContact O-CB 3.32Å; T171-E175 WeakPolarHBondContact O-CG 3.5Å; T171-E175 PolarHBondContact O-N 3.49Å; L173-E175 PolarHBondContact O-N 3.33Å; E175-V177 VanDerWaalsContact C-N 3.34Å; E175-I178 WeakPolarHBondContact O-CG1 3.26Å; E175-Q179 VanDerWaalsContact O-CG 3.28Å; E175-Q179 WeakPolarHBondContact O-CG 3.49Å; E175-Q179 PolarHBondContact O-N 3.38Å; E175-R227 WeakPolarHBondContact OE2-CD 3.44Å; E175-R227 IonicContact OE2-CZ 2.85Å; E175-R227 IonicContact OE2-NE 3.46Å; E175-R227 IonicContact OE2-NH1 3.01Å; E175-R227 PolarHBondContact OE2-NH1 3.09Å; E175-V299 HydrophobicContact CG-CG2 4.05Å; E175-I312 HydrophobicContact CB-CD1 4.28Å; E175-I312 HydrophobicContact CB-CG1 4.3Å; E175-I312 HydrophobicContact CG-CD1 4.42Å; E175-I312 HydrophobicContact CG-CG1 4.09Å
176R95.3Very high94Very high62 Ų6240 Ų4023%0.23421%0.211CC..Hα-helixtrans-66.9-36.8176.8-70.2172.2179.6-174.1-2.2111.7M159 E164 T172 L173 V174M159-R176 HydrophobicContact CE-CB 4.21Å; M159-R176 HydrophobicContact CG-CB 4.05Å; M159-R176 HydrophobicContact SD-CB 3.82Å; E164-R176 IonicContact OE2-NH2 2.7Å; T172-R176 WeakPolarHBondContact O-CG 3.48Å; T172-R176 PolarHBondContact O-N 3.02Å; T172-R176 VanDerWaalsContact O-N 3.14Å; L173-R176 PolarHBondContact O-N 3.41Å; V174-R176 VanDerWaalsContact C-N 3.31Å; V174-R176 PolarHBondContact O-N 3.3Å
177V97.4Very high94.8Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-62.1-55.7175.7168.50000110.5I152 L155 V156 M159 L173 V174 E175 Q179 Q180 L181I152-V177 HydrophobicContact CG2-CG1 4.06Å; L155-V177 HydrophobicContact CD2-CG1 4.2Å; L155-V177 HydrophobicContact CG-CG2 4.24Å; V156-V177 HydrophobicContact CB-CG2 3.8Å; V156-V177 HydrophobicContact CG2-CG2 4.22Å; M159-V177 HydrophobicContact CG-CG2 4.01Å; L173-V177 WeakPolarHBondContact O-CG2 3.49Å; L173-V177 PolarHBondContact O-N 2.86Å; V174-V177 WeakPolarHBondContact O-CB 3.44Å; V174-V177 PolarHBondContact O-N 3.34Å; V174-V177 VanDerWaalsContact O-N 3.14Å; E175-V177 VanDerWaalsContact C-N 3.34Å; V177-Q179 PolarHBondContact O-N 3.18Å; V177-Q179 VanDerWaalsContact O-N 3.09Å; V177-Q180 PolarHBondContact O-N 3.01Å; V177-L181 HydrophobicContact CG1-CD1 3.98Å; V177-L181 HydrophobicContact CG1-CG 4.2Å; V177-L181 WeakPolarHBondContact O-CG 3.43Å; V177-L181 PolarHBondContact O-N 2.91Å
178I96.2Very high95.5Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-66.8-14.8-174.665.2173.5000114.3V174 E175 Q180 F185 L187 T201 R203 V299 I312V174-I178 HydrophobicContact CG1-CG2 4.31Å; V174-I178 WeakPolarHBondContact O-CG1 3.39Å; V174-I178 PolarHBondContact O-N 2.75Å; E175-I178 WeakPolarHBondContact O-CG1 3.26Å; I178-Q180 VanDerWaalsContact C-N 3.33Å; I178-F185 HydrophobicContact CB-CE2 4.23Å; I178-F185 HydrophobicContact CB-CZ 3.99Å; I178-F185 HydrophobicContact CG2-CE2 3.78Å; I178-F185 HydrophobicContact CG2-CZ 4.03Å; I178-L187 HydrophobicContact CG2-CD1 4.49Å; I178-T201 HydrophobicContact CG2-CG2 3.81Å; I178-R203 PolarHBondContact O-NH1 2.54Å; I178-R203 PolarHBondContact O-NH2 3.39Å; I178-R203 VanDerWaalsContact O-NH2 3.08Å; I178-V299 HydrophobicContact CD1-CG2 3.55Å; I178-I312 HydrophobicContact CD1-CD1 4.25Å; I178-I312 HydrophobicContact CG1-CD1 4.33Å
179Q95.4Very high95.8Very high107 Ų10724.9 Ų24.950%0.514%0.135SC..THydrogen-bonded Turntrans-73.3-24.7170.4-75.3173.411.100112.9E175 V177 I312E175-Q179 VanDerWaalsContact O-CG 3.28Å; E175-Q179 WeakPolarHBondContact O-CG 3.49Å; E175-Q179 PolarHBondContact O-N 3.38Å; V177-Q179 PolarHBondContact O-N 3.18Å; V177-Q179 VanDerWaalsContact O-N 3.09Å; Q179-I312 HydrophobicContact CG-CD1 3.69Å; Q179-I312 VanDerWaalsContact NE2-CD1 3.34Å
180Q97.4Very high96Very high96 Ų9622.5 Ų22.545%0.44912%0.117SC..THydrogen-bonded Turntrans-94.8-16.1178-54.2-55.5-5700112.5N128 L132 L155 M159 V177 I178N128-Q180 PolarHBondContact ND2-O 3.08Å; L132-Q180 HydrophobicContact CD2-CB 4.21Å; L155-Q180 HydrophobicContact CD2-CB 3.91Å; L155-Q180 HydrophobicContact CD2-CG 4.38Å; M159-Q180 HydrophobicContact CE-CG 4.04Å; V177-Q180 PolarHBondContact O-N 3.01Å; I178-Q180 VanDerWaalsContact C-N 3.33Å
181L96.9Very high96.1Very high3 Ų322.6 Ų22.62%0.01612%0.118CC..  trans-82.3131.5-179.9-58.4-174.8000111I126 L132 I152 L155 V177 F185 L187 R203I126-L181 HydrophobicContact CD1-CB 4.38Å; I126-L181 HydrophobicContact CD1-CD1 4.12Å; I126-L181 HydrophobicContact CG2-CD2 4.13Å; L132-L181 HydrophobicContact CD1-CD2 3.66Å; I152-L181 HydrophobicContact CD1-CD1 4.26Å; I152-L181 HydrophobicContact CG1-CD1 4.18Å; I152-L181 HydrophobicContact CG1-CD2 4.23Å; I152-L181 HydrophobicContact CG2-CD1 4.31Å; L155-L181 HydrophobicContact CD2-CD2 4.23Å; V177-L181 HydrophobicContact CG1-CD1 3.98Å; V177-L181 HydrophobicContact CG1-CG 4.2Å; V177-L181 WeakPolarHBondContact O-CG 3.43Å; V177-L181 PolarHBondContact O-N 2.91Å; L181-F185 HydrophobicContact CB-CD1 4.26Å; L181-F185 HydrophobicContact CB-CE1 3.71Å; L181-F185 HydrophobicContact CB-CZ 4.3Å; L181-F185 HydrophobicContact CD1-CD1 4.33Å; L181-F185 HydrophobicContact CD1-CE1 4.23Å; L181-F185 HydrophobicContact CD1-CZ 4.42Å; L181-L187 HydrophobicContact CD1-CD1 4Å; L181-R203 PolarHBondContact O-NH1 3.24Å
182E94.8Very high96.3Very high116 Ų11623.5 Ų23.554%0.54212%0.124SC..  trans-110.6151.4167.9-64.5177-173.700110.4I126 T127 N128I126-E182 CarbonylContact C-O 3.35Å; I126-E182 WeakPolarHBondContact CA-O 3.27Å; T127-E182 PolarHBondContact N-O 3.39Å; T127-E182 VanDerWaalsContact OG1-C 3.27Å; T127-E182 WeakPolarHBondContact OG1-CB 3.18Å; T127-E182 PolarHBondContact OG1-O 3.22Å; N128-E182 HydrophobicContact CB-CB 4.05Å; N128-E182 HydrophobicContact CB-CG 4.28Å; N128-E182 PolarHBondContact OD1-N 3.04Å
183G91.6Very high96.4Very high33 Ų3326.4 Ų26.434%0.3414%0.137SC..EExtended strand (participates in β ladder)trans105.2-157.1-177.500000113T127T127-G183 PolarHBondContact OG1-N 2.99Å
184A90.7Very high96.5Very high30 Ų3027.5 Ų27.525%0.24814%0.141CC..EExtended strand (participates in β ladder)trans-114.2134.9-179.600000109.5G124 I125 R203G124-A184 CarbonylContact C-O 3.5Å; G124-A184 WeakPolarHBondContact CA-O 3.48Å; I125-A184 PolarHBondContact N-O 2.84Å; I125-A184 PolarHBondContact O-N 2.83Å; A184-R203 CarbonylContact C-O 3.44Å; A184-R203 WeakPolarHBondContact CA-O 3.42Å
185F95.2Very high96.5Very high0 Ų031.1 Ų31.10%017%0.165CC..EExtended strand (participates in β ladder)trans-152.3145.7-17951.9-97.8000111.8H122 N123 I126 I178 L181 L187 R202 R203H122-F185 VanDerWaalsContact NE2-CB 3.34Å; H122-F185 WeakPolarHBondContact NE2-CB 3.48Å; N123-F185 CarbonylContact O-C 3.55Å; N123-F185 VanDerWaalsContact O-CA 3.23Å; N123-F185 WeakPolarHBondContact O-CA 3.38Å; I126-F185 HydrophobicContact CD1-CB 3.98Å; I126-F185 HydrophobicContact CD1-CD1 3.76Å; I126-F185 HydrophobicContact CD1-CG 4.21Å; I178-F185 HydrophobicContact CB-CE2 4.23Å; I178-F185 HydrophobicContact CB-CZ 3.99Å; I178-F185 HydrophobicContact CG2-CE2 3.78Å; I178-F185 HydrophobicContact CG2-CZ 4.03Å; L181-F185 HydrophobicContact CB-CD1 4.26Å; L181-F185 HydrophobicContact CB-CE1 3.71Å; L181-F185 HydrophobicContact CB-CZ 4.3Å; L181-F185 HydrophobicContact CD1-CD1 4.33Å; L181-F185 HydrophobicContact CD1-CE1 4.23Å; L181-F185 HydrophobicContact CD1-CZ 4.42Å; F185-L187 HydrophobicContact CB-CD1 4.39Å; F185-L187 HydrophobicContact CB-CD2 4.27Å; F185-L187 HydrophobicContact CB-CG 4.12Å; F185-L187 HydrophobicContact CD2-CD1 3.63Å; F185-L187 HydrophobicContact CD2-CG 3.88Å; F185-L187 HydrophobicContact CE2-CD1 4.18Å; F185-L187 HydrophobicContact CG-CD1 4.16Å; F185-L187 HydrophobicContact CG-CG 4.33Å; F185-R202 CarbonylContact O-C 3.45Å; F185-R202 VanDerWaalsContact O-CA 3.22Å; F185-R202 WeakPolarHBondContact O-CA 3.23Å; F185-R203 HydrophobicContact CD1-CB 4.44Å; F185-R203 HydrophobicContact CD2-CB 4.35Å; F185-R203 HydrophobicContact CE1-CB 4.02Å; F185-R203 HydrophobicContact CE2-CB 3.91Å; F185-R203 HydrophobicContact CZ-CB 3.73Å; F185-R203 PolarHBondContact N-O 3.03Å; F185-R203 PolarHBondContact O-N 3.38Å; F185-R203 VanDerWaalsContact O-O 3.12Å
186A97.4Very high96.3Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-121.9130.9155.100000107.1I4 H122 N123 T201 R202 S205 L207I4-A186 HydrophobicContact CD1-CB 4.15Å; I4-A186 WeakPolarHBondContact CD1-O 3.38Å; H122-A186 WeakPolarHBondContact CA-O 3.36Å; N123-A186 HydrophobicContact CB-CB 4.36Å; N123-A186 PolarHBondContact N-O 2.85Å; N123-A186 PolarHBondContact O-N 2.84Å; A186-T201 WeakPolarHBondContact CA-O 3.44Å; A186-R202 HydrophobicContact CB-CB 4.29Å; A186-S205 WeakPolarHBondContact CB-OG 3.38Å; A186-L207 HydrophobicContact CB-CB 4.12Å
187L98.6Very high96.5Very high0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-131.2142.6-168.9-57.4172.3000110.6V120 I121 H122 I152 I178 L181 F185 F189 G200 T201V120-L187 HydrophobicContact CG2-CB 4.36Å; V120-L187 HydrophobicContact CG2-CD2 4.1Å; I121-L187 WeakPolarHBondContact O-CA 3.48Å; H122-L187 HydrophobicContact CB-CD2 3.57Å; H122-L187 WeakPolarHBondContact CD2-CD2 3.21Å; I152-L187 HydrophobicContact CD1-CD1 4.31Å; I152-L187 HydrophobicContact CD1-CD2 3.58Å; I152-L187 HydrophobicContact CG2-CD1 4.17Å; I178-L187 HydrophobicContact CG2-CD1 4.49Å; L181-L187 HydrophobicContact CD1-CD1 4Å; F185-L187 HydrophobicContact CB-CD1 4.39Å; F185-L187 HydrophobicContact CB-CD2 4.27Å; F185-L187 HydrophobicContact CB-CG 4.12Å; F185-L187 HydrophobicContact CD2-CD1 3.63Å; F185-L187 HydrophobicContact CD2-CG 3.88Å; F185-L187 HydrophobicContact CE2-CD1 4.18Å; F185-L187 HydrophobicContact CG-CD1 4.16Å; F185-L187 HydrophobicContact CG-CG 4.33Å; L187-F189 HydrophobicContact CB-CD2 4.25Å; L187-F189 HydrophobicContact CB-CE2 3.64Å; L187-F189 HydrophobicContact CB-CZ 4.33Å; L187-F189 HydrophobicContact CD1-CE2 3.87Å; L187-F189 HydrophobicContact CD1-CZ 3.95Å; L187-F189 HydrophobicContact CG-CE2 4.34Å; L187-G200 VanDerWaalsContact O-CA 3.27Å; L187-G200 WeakPolarHBondContact O-CA 3.47Å; L187-T201 HydrophobicContact CB-CG2 3.94Å; L187-T201 HydrophobicContact CD1-CG2 4.08Å; L187-T201 HydrophobicContact CG-CG2 4.42Å; L187-T201 PolarHBondContact N-O 3.25Å; L187-T201 PolarHBondContact O-N 3.28Å
188V98.8Very high96.5Very high0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-131.6126.8164.5-1780000108.5I4 A6 I91 V120 I121 V199 L207 F277I4-V188 HydrophobicContact CG2-CG2 3.77Å; A6-V188 HydrophobicContact CB-CG1 4.1Å; I91-V188 HydrophobicContact CG2-CG1 4.07Å; V120-V188 WeakPolarHBondContact CA-O 3.28Å; I121-V188 HydrophobicContact CD1-CB 4.06Å; I121-V188 HydrophobicContact CD1-CG2 4.47Å; I121-V188 HydrophobicContact CG1-CB 3.81Å; I121-V188 HydrophobicContact CG1-CG2 4.49Å; I121-V188 PolarHBondContact N-O 2.93Å; I121-V188 VanDerWaalsContact N-O 3.15Å; I121-V188 PolarHBondContact O-N 3.48Å; V188-V199 WeakPolarHBondContact CA-O 3.44Å; V188-L207 HydrophobicContact CG2-CD1 4.2Å; V188-F277 HydrophobicContact CG2-CB 4.04Å; V188-F277 HydrophobicContact CG2-CD1 4.31Å; V188-F277 HydrophobicContact CG2-CG 4.41Å
189F98.8Very high96.6Very high0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-107.9145.2-177.7-66.9-95.3000111.8V120 I152 V156 F170 V174 L187 V199 T201V120-F189 HydrophobicContact CB-CD1 3.87Å; V120-F189 HydrophobicContact CB-CE1 3.9Å; V120-F189 HydrophobicContact CG2-CD1 3.72Å; V120-F189 HydrophobicContact CG2-CD2 4.26Å; V120-F189 HydrophobicContact CG2-CE1 3.56Å; V120-F189 HydrophobicContact CG2-CE2 4.11Å; V120-F189 HydrophobicContact CG2-CG 4.08Å; V120-F189 HydrophobicContact CG2-CZ 3.77Å; I152-F189 HydrophobicContact CG2-CE1 3.76Å; I152-F189 HydrophobicContact CG2-CZ 3.53Å; V156-F189 HydrophobicContact CB-CE1 4.2Å; V156-F189 HydrophobicContact CG1-CD1 4.32Å; V156-F189 HydrophobicContact CG1-CE1 4.13Å; F170-F189 HydrophobicContact CE1-CB 4.48Å; F170-F189 HydrophobicContact CE2-CB 4.11Å; F170-F189 HydrophobicContact CZ-CB 3.66Å; V174-F189 HydrophobicContact CG1-CD2 4.1Å; V174-F189 HydrophobicContact CG1-CE2 3.75Å; V174-F189 HydrophobicContact CG1-CZ 4.44Å; V174-F189 HydrophobicContact CG2-CD2 3.85Å; V174-F189 HydrophobicContact CG2-CE2 4.08Å; V174-F189 HydrophobicContact CG2-CG 4.09Å; L187-F189 HydrophobicContact CB-CD2 4.25Å; L187-F189 HydrophobicContact CB-CE2 3.64Å; L187-F189 HydrophobicContact CB-CZ 4.33Å; L187-F189 HydrophobicContact CD1-CE2 3.87Å; L187-F189 HydrophobicContact CD1-CZ 3.95Å; L187-F189 HydrophobicContact CG-CE2 4.34Å; F189-V199 PolarHBondContact N-O 3.32Å; F189-T201 HydrophobicContact CE2-CG2 4.42Å
190K98.7Very high96.8Very high6 Ų625.2 Ų25.23%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-134.7145.7168.3174.7176.8-176.11770109.5D43 I57 L89 I91 I119D43-K190 WeakPolarHBondContact OD1-CE 3.36Å; D43-K190 IonicContact OD1-NZ 3.2Å; D43-K190 PolarHBondContact OD1-NZ 3.25Å; D43-K190 IonicContact OD2-NZ 2.86Å; D43-K190 PolarHBondContact OD2-NZ 3.02Å; I57-K190 HydrophobicContact CD1-CD 4.16Å; I57-K190 HydrophobicContact CD1-CG 3.95Å; L89-K190 HydrophobicContact CB-CD 4.43Å; L89-K190 HydrophobicContact CD2-CB 3.84Å; L89-K190 HydrophobicContact CD2-CD 4.26Å; L89-K190 HydrophobicContact CD2-CG 3.98Å; L89-K190 HydrophobicContact CG-CD 4.21Å; L89-K190 HydrophobicContact CG-CG 4.47Å; L89-K190 WeakPolarHBondContact O-CD 3.26Å; L89-K190 WeakPolarHBondContact O-CE 3.12Å; L89-K190 PolarHBondContact O-NZ 3.31Å; I91-K190 HydrophobicContact CD1-CB 4.3Å; I91-K190 HydrophobicContact CG2-CB 4.33Å; I119-K190 HydrophobicContact CD1-CB 4.21Å; I119-K190 HydrophobicContact CD1-CD 4.23Å; I119-K190 HydrophobicContact CG1-CB 3.8Å; I119-K190 HydrophobicContact CG1-CG 4.34Å; I119-K190 PolarHBondContact N-O 3.39Å; I119-K190 PolarHBondContact O-N 3.4Å
191S98.6Very high96.8Very high2 Ų220.7 Ų20.71%0.01412%0.123CC..EExtended strand (participates in β ladder)trans-148.3149.7178.3-1790000112.8E117 F118 H193 F194E117-S191 WeakPolarHBondContact O-CA 3.5Å; E117-S191 WeakPolarHBondContact O-CB 3.42Å; E117-S191 PolarHBondContact O-OG 3.11Å; F118-S191 VanDerWaalsContact CD1-CB 3.47Å; F118-S191 WeakPolarHBondContact CD1-OG 3.48Å; F118-S191 VanDerWaalsContact CE1-OG 3.25Å; F118-S191 WeakPolarHBondContact CE1-OG 3.32Å; S191-H193 VanDerWaalsContact C-N 3.28Å; S191-H193 PolarHBondContact OG-N 3.4Å; S191-F194 CarbonylContact O-C 3.53Å; S191-F194 PolarHBondContact O-N 3.39Å
192V98.1Very high96.7Very high28 Ų2820.9 Ų20.917%0.1712%0.123CC..THydrogen-bonded Turntrans-69.6-24.3171.7-600000113C55 I57 E117 F194C55-V192 WeakPolarHBondContact O-CG1 3.25Å; I57-V192 HydrophobicContact CB-CG1 4.47Å; I57-V192 HydrophobicContact CD1-CG1 3.73Å; I57-V192 HydrophobicContact CG1-CG1 3.75Å; E117-V192 HydrophobicContact CB-CG2 4.25Å; E117-V192 HydrophobicContact CG-CG2 4.39Å; E117-V192 PolarHBondContact O-N 3.12Å; E117-V192 VanDerWaalsContact O-N 3.15Å; V192-F194 VanDerWaalsContact C-N 3.27Å
193H97.3Very high96.6Very high65 Ų6518.2 Ų18.230%0.30111%0.108SC..THydrogen-bonded Turntrans-77.9-16.4179-58.1-62.9000112.4E117 F118 Y160 S191E117-H193 IonicContact OE2-CD2 3.75Å; E117-H193 IonicContact OE2-CE1 2.81Å; E117-H193 IonicContact OE2-NE2 3.79Å; E117-H193 PolarHBondContact OE2-NE2 3.11Å; F118-H193 AromaticContact CE2-CD2 3.55Å; F118-H193 AromaticContact CZ-CD2 3.67Å; Y160-H193 AromaticContact CE1-CD2 3.57Å; Y160-H193 AromaticContact CE1-CE1 3.68Å; Y160-H193 AromaticContact CE1-CG 3.9Å; Y160-H193 AromaticContact CE1-ND1 3.97Å; Y160-H193 AromaticContact CE1-NE2 3.41Å; Y160-H193 WeakPolarHBondContact CE1-NE2 3.47Å; Y160-H193 HydrophobicContact CE2-CB 4.19Å; Y160-H193 AromaticContact CZ-CD2 3.67Å; Y160-H193 AromaticContact CZ-CE1 3.9Å; Y160-H193 AromaticContact CZ-CG 3.53Å; Y160-H193 AromaticContact CZ-ND1 3.69Å; Y160-H193 AromaticContact CZ-NE2 3.88Å; Y160-H193 PolarHBondContact OH-ND1 3.4Å; Y160-H193 VanDerWaalsContact OH-ND1 3.09Å; S191-H193 VanDerWaalsContact C-N 3.28Å; S191-H193 PolarHBondContact OG-N 3.4Å
194F97.5Very high96.2Very high23 Ų2317.8 Ų17.810%0.10110%0.104CC..SBendtrans-129.965-178.9-57.4-77.8000109.9F118 Y160 F170 L173 S191 V192 G196 Q197F118-F194 HydrophobicContact CE1-CD2 4.34Å; F118-F194 HydrophobicContact CE1-CE2 4.18Å; F118-F194 HydrophobicContact CZ-CE2 4.35Å; Y160-F194 HydrophobicContact CD2-CE2 4.47Å; Y160-F194 HydrophobicContact CE2-CE2 4.49Å; Y160-F194 HydrophobicContact CE2-CZ 4.49Å; F170-F194 HydrophobicContact CB-CB 4.32Å; F170-F194 HydrophobicContact CB-CD1 3.8Å; F170-F194 HydrophobicContact CB-CD2 3.9Å; F170-F194 HydrophobicContact CB-CE1 4.02Å; F170-F194 HydrophobicContact CB-CE2 4.14Å; F170-F194 HydrophobicContact CB-CG 3.73Å; F170-F194 HydrophobicContact CB-CZ 4.19Å; F170-F194 HydrophobicContact CD1-CB 3.57Å; F170-F194 AromaticContact CD1-CD2 3.83Å; F170-F194 HydrophobicContact CD1-CD2 3.83Å; F170-F194 AromaticContact CD1-CG 3.75Å; F170-F194 HydrophobicContact CD1-CG 3.75Å; F170-F194 AromaticContact CD2-CD2 3.83Å; F170-F194 HydrophobicContact CD2-CD2 3.83Å; F170-F194 HydrophobicContact CD2-CE2 4.02Å; F170-F194 HydrophobicContact CD2-CG 4.45Å; F170-F194 HydrophobicContact CE1-CB 4.07Å; F170-F194 HydrophobicContact CE1-CD2 4.27Å; F170-F194 HydrophobicContact CE1-CG 4.45Å; F170-F194 HydrophobicContact CE2-CD2 4.28Å; F170-F194 HydrophobicContact CG-CB 4.11Å; F170-F194 HydrophobicContact CG-CD1 4.33Å; F170-F194 AromaticContact CG-CD2 3.59Å; F170-F194 HydrophobicContact CG-CD2 3.59Å; F170-F194 HydrophobicContact CG-CE2 4.06Å; F170-F194 AromaticContact CG-CG 3.75Å; F170-F194 HydrophobicContact CG-CG 3.75Å; F170-F194 HydrophobicContact CZ-CD2 4.47Å; L173-F194 HydrophobicContact CD1-CE2 3.64Å; L173-F194 HydrophobicContact CD1-CZ 3.8Å; S191-F194 CarbonylContact O-C 3.53Å; S191-F194 PolarHBondContact O-N 3.39Å; V192-F194 VanDerWaalsContact C-N 3.27Å; F194-G196 PolarHBondContact O-N 3.09Å; F194-Q197 HydrophobicContact CB-CB 4.06Å; F194-Q197 HydrophobicContact CB-CG 4.22Å; F194-Q197 WeakPolarHBondContact O-CB 3.34Å; F194-Q197 PolarHBondContact O-N 2.91Å; F194-Q197 VanDerWaalsContact O-N 3.15Å
195P96.6Very high96.1Very high77 Ų7716.8 Ų16.850%0.510%0.095SC..THydrogen-bonded Turntrans-60.8136.7-173.727-35.5000111.2A54 Q197A54-P195 HydrophobicContact CB-CB 3.72Å; P195-Q197 PolarHBondContact O-N 2.93Å
196G92Very high96Very high15 Ų1517.8 Ų17.816%0.15510%0.102CC..THydrogen-bonded Turntrans69.66-178.400000115.5F194F194-G196 PolarHBondContact O-N 3.09Å
197Q98.1Very high95.9Very high35 Ų3518 Ų1816%0.16410%0.103CC..  trans-100.9140.7177.6-57.3-174.318.700112L89 F170 F194 P195 V302 V303L89-Q197 WeakPolarHBondContact CD2-O 3.41Å; F170-Q197 HydrophobicContact CD1-CB 4.13Å; F194-Q197 HydrophobicContact CB-CB 4.06Å; F194-Q197 HydrophobicContact CB-CG 4.22Å; F194-Q197 WeakPolarHBondContact O-CB 3.34Å; F194-Q197 PolarHBondContact O-N 2.91Å; F194-Q197 VanDerWaalsContact O-N 3.15Å; P195-Q197 PolarHBondContact O-N 2.93Å; Q197-V302 VanDerWaalsContact CA-O 3.32Å; Q197-V302 WeakPolarHBondContact CA-O 3.39Å; Q197-V302 WeakPolarHBondContact CB-O 3.37Å; Q197-V303 HydrophobicContact CG-CG2 4.46Å
198A98.1Very high95.8Very high0 Ų018.2 Ų18.20%010%0.104CC..EExtended strand (participates in β ladder)trans-119.3138.4171.800000110.3L8 L89 F277 A301 V302L8-A198 HydrophobicContact CD1-CB 3.86Å; L89-A198 HydrophobicContact CD1-CB 4.05Å; L89-A198 HydrophobicContact CD2-CB 3.73Å; A198-F277 HydrophobicContact CB-CE2 3.73Å; A198-F277 HydrophobicContact CB-CZ 3.8Å; A198-A301 WeakPolarHBondContact O-CA 3.27Å; A198-V302 HydrophobicContact CB-CB 4.46Å; A198-V302 PolarHBondContact N-O 3.42Å; A198-V302 PolarHBondContact O-N 3.46Å
199V98.6Very high95.7Very high1 Ų118.2 Ų18.21%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-122.9119.7167.7-1750000109.5F170 V174 V188 F189 V299 A300 A301F170-V199 HydrophobicContact CB-CG2 3.95Å; F170-V199 HydrophobicContact CD1-CG2 3.6Å; F170-V199 HydrophobicContact CD2-CG2 4.12Å; F170-V199 HydrophobicContact CE1-CG2 4.11Å; F170-V199 HydrophobicContact CG-CG2 3.6Å; V174-V199 HydrophobicContact CB-CG1 3.86Å; V174-V199 HydrophobicContact CG1-CG1 3.86Å; V174-V199 HydrophobicContact CG2-CB 4.04Å; V174-V199 HydrophobicContact CG2-CG1 3.74Å; V174-V199 HydrophobicContact CG2-CG2 4.45Å; V188-V199 WeakPolarHBondContact CA-O 3.44Å; F189-V199 PolarHBondContact N-O 3.32Å; V199-V299 HydrophobicContact CG1-CG1 3.6Å; V199-A300 CarbonylContact C-O 3.34Å; V199-A300 WeakPolarHBondContact CA-O 3.31Å; V199-A301 HydrophobicContact CG2-CB 4.28Å
200G98.3Very high95.7Very high0 Ų018.2 Ų18.20%010%0.104CC..EExtended strand (participates in β ladder)trans-113.5137.8176.300000111.3L187 A300L187-G200 VanDerWaalsContact O-CA 3.27Å; L187-G200 WeakPolarHBondContact O-CA 3.47Å; G200-A300 PolarHBondContact N-O 3.04Å; G200-A300 PolarHBondContact O-N 2.76Å
201T97.9Very high95.6Very high0 Ų018 Ų180%010%0.103CC..EExtended strand (participates in β ladder)trans-150.1156.9177.4-175.40000111.6V174 I178 A186 L187 F189 L207 D298V174-T201 HydrophobicContact CG1-CG2 3.93Å; I178-T201 HydrophobicContact CG2-CG2 3.81Å; A186-T201 WeakPolarHBondContact CA-O 3.44Å; L187-T201 HydrophobicContact CB-CG2 3.94Å; L187-T201 HydrophobicContact CD1-CG2 4.08Å; L187-T201 HydrophobicContact CG-CG2 4.42Å; L187-T201 PolarHBondContact N-O 3.25Å; L187-T201 PolarHBondContact O-N 3.28Å; F189-T201 HydrophobicContact CE2-CG2 4.42Å; T201-L207 WeakPolarHBondContact O-CD2 3.34Å; T201-D298 VanDerWaalsContact CA-O 3.24Å; T201-D298 WeakPolarHBondContact CA-O 3.39Å; T201-D298 VanDerWaalsContact CB-O 3.24Å; T201-D298 WeakPolarHBondContact CB-O 3.47Å; T201-D298 PolarHBondContact OG1-O 3Å
202R94.8Very high95.6Very high7 Ų721.7 Ų21.73%0.02612%0.117CC..EExtended strand (participates in β ladder)trans-143.6156.3176.963.1157.6-76.8159.49.6114F185 A186 S205 L207 L294 E295 D296 D297F185-R202 CarbonylContact O-C 3.45Å; F185-R202 VanDerWaalsContact O-CA 3.22Å; F185-R202 WeakPolarHBondContact O-CA 3.23Å; A186-R202 HydrophobicContact CB-CB 4.29Å; R202-S205 VanDerWaalsContact CB-O 3.3Å; R202-S205 WeakPolarHBondContact CB-O 3.32Å; R202-S205 WeakPolarHBondContact CD-O 3.42Å; R202-S205 PolarHBondContact NE-O 3.12Å; R202-S205 VanDerWaalsContact NE-O 3.16Å; R202-S205 PolarHBondContact NH1-O 3.07Å; R202-L207 HydrophobicContact CB-CB 4.13Å; R202-L207 HydrophobicContact CG-CB 4.43Å; R202-L294 WeakPolarHBondContact CD-O 2.97Å; R202-L294 HydrophobicContact CG-CB 3.98Å; R202-E295 VanDerWaalsContact CG-O 3.24Å; R202-E295 WeakPolarHBondContact CG-O 3.15Å; R202-D296 IonicContact CZ-OD1 3.37Å; R202-D296 IonicContact NE-OD1 3.52Å; R202-D296 PolarHBondContact NE-OD1 2.98Å; R202-D296 IonicContact NH2-OD1 4Å; R202-D296 PolarHBondContact NH2-OD1 2.96Å; R202-D296 CarbonylContact O-C 3.51Å; R202-D296 WeakPolarHBondContact O-CA 3.42Å; R202-D297 PolarHBondContact O-N 2.93Å
203R92.1Very high95.4Very high60 Ų6021.9 Ų21.923%0.22612%0.119CC..EExtended strand (participates in β ladder)trans-150.1116.1163-170.9-178.1-64.9150.14.8107.7I178 L181 A184 F185 S205 D296 D297I178-R203 PolarHBondContact O-NH1 2.54Å; I178-R203 PolarHBondContact O-NH2 3.39Å; I178-R203 VanDerWaalsContact O-NH2 3.08Å; L181-R203 PolarHBondContact O-NH1 3.24Å; A184-R203 CarbonylContact C-O 3.44Å; A184-R203 WeakPolarHBondContact CA-O 3.42Å; F185-R203 HydrophobicContact CD1-CB 4.44Å; F185-R203 HydrophobicContact CD2-CB 4.35Å; F185-R203 HydrophobicContact CE1-CB 4.02Å; F185-R203 HydrophobicContact CE2-CB 3.91Å; F185-R203 HydrophobicContact CZ-CB 3.73Å; F185-R203 PolarHBondContact N-O 3.03Å; F185-R203 PolarHBondContact O-N 3.38Å; F185-R203 VanDerWaalsContact O-O 3.12Å; R203-S205 PolarHBondContact O-N 2.89Å; R203-S205 VanDerWaalsContact O-N 3.13Å; R203-D296 WeakPolarHBondContact CA-OD1 3.45Å; R203-D297 IonicContact CZ-OD1 3.01Å; R203-D297 IonicContact NE-OD1 2.7Å; R203-D297 PolarHBondContact NE-OD1 2.82Å; R203-D297 IonicContact NH2-OD1 3.12Å; R203-D297 PolarHBondContact NH2-OD1 3.07Å
204G84.6Confident95.2Very high24 Ų2427.9 Ų27.925%0.24715%0.147CC..BIsolated β-bridgetrans678.4178.500000117D296G204-D296 VanDerWaalsContact N-CG 3.3Å; G204-D296 PolarHBondContact N-OD1 2.93Å; G204-D296 PolarHBondContact N-OD2 2.86Å
205S89Confident94.9Very high9 Ų929.4 Ų29.46%0.06316%0.155CC..SBendtrans-136.7138.1172.8174.40000111.4A186 R202 R203A186-S205 WeakPolarHBondContact CB-OG 3.38Å; R202-S205 VanDerWaalsContact CB-O 3.3Å; R202-S205 WeakPolarHBondContact CB-O 3.32Å; R202-S205 WeakPolarHBondContact CD-O 3.42Å; R202-S205 PolarHBondContact NE-O 3.12Å; R202-S205 VanDerWaalsContact NE-O 3.16Å; R202-S205 PolarHBondContact NH1-O 3.07Å; R203-S205 PolarHBondContact O-N 2.89Å; R203-S205 VanDerWaalsContact O-N 3.13Å
206P91.6Very high94.7Very high22 Ų2233.9 Ų33.914%0.14317%0.166CC..  trans-57.6135.4179.6-26.335.5000114.6E443P206-E443 HydrophobicContact CG-CG 3.91Å
207L95.8Very high94.7Very high3 Ų335.4 Ų35.42%0.01617%0.171CC..  trans-150.4131168.8-170.659.8000108.7I4 A186 V188 T201 R202 L294I4-L207 HydrophobicContact CG2-CD1 4.08Å; A186-L207 HydrophobicContact CB-CB 4.12Å; V188-L207 HydrophobicContact CG2-CD1 4.2Å; T201-L207 WeakPolarHBondContact O-CD2 3.34Å; R202-L207 HydrophobicContact CB-CB 4.13Å; R202-L207 HydrophobicContact CG-CB 4.43Å; L207-L294 HydrophobicContact CB-CD1 4.34Å; L207-L294 HydrophobicContact CD2-CD1 3.86Å; L207-L294 HydrophobicContact CG-CD1 4Å; L207-L294 WeakPolarHBondContact O-CB 3.47Å; L207-L294 PolarHBondContact O-N 3.43Å; L207-L294 VanDerWaalsContact O-N 3.09Å
208L95.9Very high94.5Very high5 Ų535.7 Ų35.73%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-133.9161.9176.464.781000110.7F277 A278 A281 V284 V291 I292 F293L208-F277 WeakPolarHBondContact O-CA 3.27Å; L208-A278 HydrophobicContact CD1-CB 4.19Å; L208-A278 WeakPolarHBondContact CG-O 3.23Å; L208-A278 PolarHBondContact N-O 3.47Å; L208-A278 PolarHBondContact O-N 3.28Å; L208-A281 HydrophobicContact CD2-CB 4.02Å; L208-V284 HydrophobicContact CD1-CB 4.38Å; L208-V284 HydrophobicContact CD1-CG2 3.7Å; L208-V291 HydrophobicContact CD1-CB 4.45Å; L208-V291 HydrophobicContact CD1-CG1 4.24Å; L208-I292 CarbonylContact C-O 3.5Å; L208-I292 VanDerWaalsContact CA-O 3.23Å; L208-I292 WeakPolarHBondContact CA-O 3.36Å; L208-I292 WeakPolarHBondContact CB-O 3.43Å; L208-F293 HydrophobicContact CB-CD1 3.96Å; L208-F293 HydrophobicContact CB-CE1 4.26Å; L208-F293 HydrophobicContact CD2-CD1 4.06Å; L208-F293 HydrophobicContact CD2-CE1 3.5Å; L208-F293 HydrophobicContact CD2-CZ 4.09Å
209I98.3Very high94.2Very high0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-125.6113.8179-52.3176.2000108.5Y275 Y276 F277 V291 I292 L294 A300 L307I209-Y275 HydrophobicContact CG2-CD1 4.12Å; I209-Y276 CarbonylContact C-O 3.55Å; I209-Y276 WeakPolarHBondContact CA-O 3.48Å; I209-F277 HydrophobicContact CD1-CD1 3.97Å; I209-F277 HydrophobicContact CD1-CE1 3.45Å; I209-F277 VanDerWaalsContact CD1-CE1 3.45Å; I209-F277 HydrophobicContact CD1-CZ 4.02Å; I209-F277 HydrophobicContact CG1-CD1 3.72Å; I209-F277 HydrophobicContact CG1-CE1 3.74Å; I209-F277 HydrophobicContact CG1-CG 4.39Å; I209-F277 HydrophobicContact CG1-CZ 4.41Å; I209-V291 CarbonylContact O-C 3.53Å; I209-V291 VanDerWaalsContact O-CA 3.3Å; I209-V291 WeakPolarHBondContact O-CA 3.4Å; I209-I292 PolarHBondContact N-O 2.96Å; I209-I292 WeakPolarHBondContact O-CD1 3.42Å; I209-I292 PolarHBondContact O-N 3.45Å; I209-L294 HydrophobicContact CD1-CD1 4.33Å; I209-L294 HydrophobicContact CD1-CD2 4.25Å; I209-A300 HydrophobicContact CD1-CB 3.56Å; I209-L307 HydrophobicContact CD1-CD1 3.78Å; I209-L307 HydrophobicContact CD1-CD2 4.16Å; I209-L307 HydrophobicContact CG2-CD2 4.14Å
210G97.6Very high93.7Very high0 Ų042.8 Ų42.80%022%0.216CC..EExtended strand (participates in β ladder)trans-78.9146.1165.300000111.3Y275 Y276 R290G210-Y275 WeakPolarHBondContact O-CA 3.43Å; G210-Y276 PolarHBondContact N-O 3.5Å; G210-Y276 PolarHBondContact O-N 2.76Å; G210-R290 WeakPolarHBondContact CA-O 3.26Å
211V97.6Very high93.4Very high2 Ų246.8 Ų46.81%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-130.5136.3175.561.40000110.8L217 L265 V273 E274 Y275 T288 R290 I292 V324V211-L217 HydrophobicContact CG1-CD1 3.85Å; V211-L217 HydrophobicContact CG2-CD1 4.09Å; V211-L217 HydrophobicContact CG2-CD2 4.1Å; V211-L265 HydrophobicContact CB-CD2 4.38Å; V211-L265 HydrophobicContact CG1-CD2 4.15Å; V211-L265 HydrophobicContact CG2-CD2 4.24Å; V211-V273 HydrophobicContact CG2-CG2 3.95Å; V211-E274 WeakPolarHBondContact CA-O 3.24Å; V211-Y275 HydrophobicContact CB-CD1 4.26Å; V211-Y275 HydrophobicContact CB-CE1 4.3Å; V211-Y275 HydrophobicContact CG2-CD1 4.1Å; V211-Y275 HydrophobicContact CG2-CE1 3.79Å; V211-T288 WeakPolarHBondContact O-CB 3.44Å; V211-T288 WeakPolarHBondContact O-CG2 3.2Å; V211-T288 PolarHBondContact O-OG1 3.12Å; V211-R290 HydrophobicContact CG1-CB 4.08Å; V211-R290 PolarHBondContact N-O 2.74Å; V211-R290 VanDerWaalsContact N-O 3.08Å; V211-I292 HydrophobicContact CG1-CD1 4.3Å; V211-V324 HydrophobicContact CG1-CG1 4.48Å
212R97.1Very high93.1Very high80 Ų8046.8 Ų46.830%0.30224%0.235SC..EExtended strand (participates in β ladder)trans-134.4132.8172.1-174172.271.4-175.74.3109.8E274 Y276 Y287R212-E274 HydrophobicContact CB-CB 4.39Å; R212-E274 IonicContact CZ-OE1 3.79Å; R212-E274 IonicContact CZ-OE2 3.61Å; R212-E274 PolarHBondContact N-O 2.93Å; R212-E274 IonicContact NE-OE2 3.68Å; R212-E274 PolarHBondContact NE-OE2 3.07Å; R212-E274 IonicContact NH2-OE1 3.18Å; R212-E274 PolarHBondContact NH2-OE1 3.19Å; R212-E274 IonicContact NH2-OE2 2.85Å; R212-E274 PolarHBondContact NH2-OE2 3.03Å; R212-E274 PolarHBondContact O-N 3.08Å; R212-Y276 HydrophobicContact CB-CE2 4.1Å; R212-Y276 PolarHBondContact NH2-OH 3.16Å; R212-Y276 VanDerWaalsContact NH2-OH 3.16Å; R212-Y287 WeakPolarHBondContact CD-O 3.35Å
213S95.6Very high93Very high31 Ų3148.7 Ų48.722%0.21725%0.248CC..  trans-152.4147.3169.8-178.30000107.9H215 A272S213-H215 PolarHBondContact OG-N 3.18Å; S213-H215 VanDerWaalsContact OG-N 3.12Å; S213-A272 PolarHBondContact OG-O 3.18Å
214E91.6Very high92.9Very high191 Ų19146.3 Ų46.389%0.89324%0.24SC*.SBendtrans-72.3-18.7169.3-60.9-172.6170.700111.4
215H92.8Very high93.1Very high55 Ų5545.6 Ų45.626%0.25523%0.231SC..SBendtrans-97.1159.1-177.3-52.3-73.7000111.9S213 L217 P267 E270S213-H215 PolarHBondContact OG-N 3.18Å; S213-H215 VanDerWaalsContact OG-N 3.12Å; H215-L217 PolarHBondContact O-N 3.38Å; H215-P267 HydrophobicContact CB-CB 3.99Å; H215-E270 VanDerWaalsContact CE1-CG 3.42Å; H215-E270 WeakPolarHBondContact CE1-CG 3.34Å; H215-E270 WeakPolarHBondContact NE2-CB 3.49Å
216K91.5Very high92.9Very high171 Ų17147.8 Ų47.874%0.74324%0.238SC*.PPolyproline II helixtrans-62.9130.1174.9-68.3177.7-176.7169.90110V268K216-V268 PolarHBondContact O-N 3.14Å
217L92.9Very high92Very high48 Ų4851.4 Ų51.425%0.25125%0.249SC..BIsolated β-bridgetrans-76.8147.5172.4-59.9177.2000110.3V211 H215 T219 L265V211-L217 HydrophobicContact CG1-CD1 3.85Å; V211-L217 HydrophobicContact CG2-CD1 4.09Å; V211-L217 HydrophobicContact CG2-CD2 4.1Å; H215-L217 PolarHBondContact O-N 3.38Å; L217-T219 VanDerWaalsContact C-N 3.33Å; L217-T219 PolarHBondContact O-N 2.78Å; L217-L265 HydrophobicContact CB-CD1 3.85Å; L217-L265 HydrophobicContact CD1-CD1 4.21Å; L217-L265 HydrophobicContact CG-CD1 4.46Å
218S92.1Very high90Very high41 Ų4156.1 Ų56.129%0.28728%0.278SS..SBendtrans-62.1-33-176.556.90000114.7C264 L265 F266S218-C264 PolarHBondContact OG-O 3.12Å; S218-L265 WeakPolarHBondContact OG-CA 3.27Å; S218-F266 WeakPolarHBondContact CB-O 3.45Å; S218-F266 PolarHBondContact N-O 3.44Å; S218-F266 PolarHBondContact OG-N 3.25Å; S218-F266 VanDerWaalsContact OG-N 3.14Å; S218-F266 PolarHBondContact OG-O 2.76Å
219T91.9Very high87.2Confident42 Ų4260.6 Ų60.626%0.25832%0.315SS..  trans-154.7155.3-175.8-175.20000111.3L217 H221 I222 L265L217-T219 VanDerWaalsContact C-N 3.33Å; L217-T219 PolarHBondContact O-N 2.78Å; T219-H221 WeakPolarHBondContact CG2-O 3.43Å; T219-H221 PolarHBondContact OG1-N 3.01Å; T219-H221 PolarHBondContact OG1-O 3.21Å; T219-I222 HydrophobicContact CG2-CG1 4.41Å; T219-L265 HydrophobicContact CG2-CD1 4.06Å; T219-L265 WeakPolarHBondContact O-CD1 3.43Å
220D89.2Confident84.1Confident107 Ų10771.2 Ų71.257%0.57236%0.355SS*.SBendtrans-1002.3165.764.1-9.7000112.4V324D220-V324 WeakPolarHBondContact O-CB 3.49Å; D220-V324 WeakPolarHBondContact O-CG2 3.22Å; D220-V324 PolarHBondContact O-N 2.98Å
221H91.6Very high80.8Confident85 Ų8577.1 Ų77.139%0.39439%0.392SS..EExtended strand (participates in β ladder)trans-139.2116.6175.8-162.723.2000111.2T219 G321 R322T219-H221 WeakPolarHBondContact CG2-O 3.43Å; T219-H221 PolarHBondContact OG1-N 3.01Å; T219-H221 PolarHBondContact OG1-O 3.21Å; H221-G321 WeakPolarHBondContact CE1-CA 3.36Å; H221-R322 WeakPolarHBondContact CA-O 3.21Å; H221-R322 PolarHBondContact CE1-N 3.3Å; H221-R322 PolarHBondContact ND1-O 3.01Å
222I92.5Very high77.6Confident0 Ų086.4 Ų86.40%044%0.435CS..EExtended strand (participates in β ladder)trans-92.1119-179.6-51.4178.5000108.7T219 L265 I292 L307 I309 G321 R322T219-I222 HydrophobicContact CG2-CG1 4.41Å; I222-L265 HydrophobicContact CD1-CB 3.65Å; I222-L265 HydrophobicContact CD1-CD2 4.07Å; I222-L265 HydrophobicContact CD1-CG 4.42Å; I222-L265 HydrophobicContact CG1-CB 3.97Å; I222-I292 HydrophobicContact CD1-CG1 4.15Å; I222-L307 HydrophobicContact CD1-CD2 3.84Å; I222-L307 HydrophobicContact CD1-CG 4.21Å; I222-I309 HydrophobicContact CB-CD1 4.31Å; I222-I309 HydrophobicContact CD1-CD1 4.23Å; I222-I309 HydrophobicContact CG2-CB 4.47Å; I222-I309 HydrophobicContact CG2-CD1 4.2Å; I222-I309 HydrophobicContact CG2-CG1 4.12Å; I222-G321 CarbonylContact O-C 3.58Å; I222-G321 WeakPolarHBondContact O-CA 2.68Å; I222-R322 PolarHBondContact N-O 2.91Å; I222-R322 PolarHBondContact O-N 3.14Å
223P92.4Very high74.6Confident46 Ų4690 Ų9030%0.29946%0.459SS..EExtended strand (participates in β ladder)trans-68.2143.6175.729.1-33.9000111.1T263P223-T263 HydrophobicContact CG-CG2 4.45Å
224V90.4Very high71.4Confident10 Ų1092 Ų926%0.06148%0.483CS..EExtended strand (participates in β ladder)trans-82.4125.6173.2178.70000109.5Y226 I309 R311 P320V224-Y226 HydrophobicContact CB-CE2 4.31Å; V224-Y226 HydrophobicContact CG1-CE1 4.27Å; V224-Y226 HydrophobicContact CG1-CE2 4.11Å; V224-Y226 WeakPolarHBondContact O-CE2 3.48Å; V224-I309 HydrophobicContact CG2-CG2 4.35Å; V224-R311 HydrophobicContact CG1-CB 3.81Å; V224-R311 HydrophobicContact CG1-CG 3.72Å; V224-P320 PolarHBondContact N-O 3.42Å
225L88.6Confident68.5Low10 Ų1086.7 Ų86.75%0.05247%0.468CS..EExtended strand (participates in β ladder)trans-90.5140.8178.1-58.4178.9000110.7V259 T263 I309 H310 R311L225-V259 HydrophobicContact CD1-CG2 3.85Å; L225-T263 HydrophobicContact CD2-CG2 3.95Å; L225-I309 PolarHBondContact N-O 3.28Å; L225-H310 CarbonylContact O-C 3.56Å; L225-H310 WeakPolarHBondContact O-CA 3.42Å; L225-R311 PolarHBondContact O-N 2.94Å
226Y84.7Confident65.4Low54 Ų5493.9 Ų93.921%0.21250%0.498CS..EExtended strand (participates in β ladder)trans-120.8138.1-178.9-62.9-86.4000111.2V224 T228 R311 R314V224-Y226 HydrophobicContact CB-CE2 4.31Å; V224-Y226 HydrophobicContact CG1-CE1 4.27Å; V224-Y226 HydrophobicContact CG1-CE2 4.11Å; V224-Y226 WeakPolarHBondContact O-CE2 3.48Å; Y226-T228 PolarHBondContact O-N 3.28Å; Y226-R311 WeakPolarHBondContact CA-O 3.42Å; Y226-R311 HydrophobicContact CD1-CB 4.02Å; Y226-R311 HydrophobicContact CE1-CB 3.85Å; Y226-R314 HydrophobicContact CD1-CB 3.98Å; Y226-R314 HydrophobicContact CE1-CB 3.56Å; Y226-R314 HydrophobicContact CE1-CG 4.01Å
227R72.8Confident62.7Low99 Ų9995.5 Ų95.537%0.37451%0.506SS..  trans-77.1119.2167.9-103.3178.3170.2166.3-3.5110.8T172 E175 A229T172-R227 VanDerWaalsContact CG2-NH1 3.32Å; T172-R227 PolarHBondContact OG1-NH1 2.88Å; T172-R227 PolarHBondContact OG1-NH2 3.08Å; E175-R227 WeakPolarHBondContact OE2-CD 3.44Å; E175-R227 IonicContact OE2-CZ 2.85Å; E175-R227 IonicContact OE2-NE 3.46Å; E175-R227 IonicContact OE2-NH1 3.01Å; E175-R227 PolarHBondContact OE2-NH1 3.09Å; R227-A229 PolarHBondContact O-N 3.32Å; R227-A229 VanDerWaalsContact O-N 3.14Å
228T52.6Low59.7Low102 Ų10299.1 Ų99.163%0.62653%0.53SS*.  trans-68.6108.8168.527.90000109.4Y226 R230Y226-T228 PolarHBondContact O-N 3.28Å; T228-R230 VanDerWaalsContact C-N 3.32Å; T228-R230 PolarHBondContact O-N 2.81Å
229A38.2Very low56.7Low99 Ų99108.8 Ų108.882%0.81856%0.56SS**  trans-67.382.1178.600000111.9R227R227-A229 PolarHBondContact O-N 3.32Å; R227-A229 VanDerWaalsContact O-N 3.14Å
230R32Very low53.6Low222 Ų222119.6 Ų119.684%0.83860%0.596SS**  trans-14355.9161.5-84.6-166175.9177.1-1.4111.2T228T228-R230 VanDerWaalsContact C-N 3.32Å; T228-R230 PolarHBondContact O-N 2.81Å
231T29.6Very low50.7Low124 Ų124117.6 Ų117.676%0.76160%0.6SS**  trans-112.399.5151.224.80000106.3I233T231-I233 PolarHBondContact O-N 3.49Å
232Q30.4Very low47.6Very low197 Ų197119.7 Ų119.792%0.92163%0.625SS**  trans-56.3111.3165.2-83-173.1-27.300107.1G234Q232-G234 PolarHBondContact O-N 2.99Å
233I32.9Very low44.5Very low157 Ų157129.3 Ų129.381%0.80567%0.67SS**  trans-52112157.5-65167.9000105.4T231 S235T231-I233 PolarHBondContact O-N 3.49Å; I233-S235 VanDerWaalsContact C-N 3.29Å; I233-S235 PolarHBondContact O-N 2.68Å
234G29.1Very low41.4Very low71 Ų71130.6 Ų130.673%0.73269%0.691SS**  trans-61.295.9169.900000108.2Q232 K236Q232-G234 PolarHBondContact O-N 2.99Å; G234-K236 PolarHBondContact O-N 3.05Å
235S29.7Very low38.4Very low81 Ų81139.8 Ų139.857%0.56673%0.734SS**  trans-6597174.665.80000109I233 F237I233-S235 VanDerWaalsContact C-N 3.29Å; I233-S235 PolarHBondContact O-N 2.68Å; S235-F237 PolarHBondContact O-N 3.15Å; S235-F237 VanDerWaalsContact O-N 3.1Å
236K29.2Very low35.6Very low206 Ų206151.5 Ų151.590%0.89678%0.777SS**SBendtrans-79.157.7153.4-84.3-172.2177.1177.80109.7G234G234-K236 PolarHBondContact O-N 3.05Å
237F33Very low32.9Very low205 Ų205152.5 Ų152.590%0.89980%0.804SS**  trans-150.374.6162-104.6-80.9000106.7S235S235-F237 PolarHBondContact O-N 3.15Å; S235-F237 VanDerWaalsContact O-N 3.1Å
238T30.5Very low31Very low123 Ų123157.7 Ų157.776%0.75583%0.829SS**  trans-94.3114.2171.422.50000109.9
239R28.8Very low29.8Very low244 Ų244160.7 Ų160.792%0.92184%0.841SS**  trans-62.1138.5158.4-147.8173.9-173.7178.71.1108.1
240W27.4Very low29.3Very low270 Ų270165.6 Ų165.6100%1.02384%0.844SS**SBendtrans-47.7134.1176.3-121.3-55.9000113
241G27.6Very low29.3Very low64 Ų64165.4 Ų165.466%0.6685%0.849SS**  trans136.2117.4150.500000118.7
242S27.1Very low29.1Very low129 Ų129162.4 Ų162.490%0.90284%0.843SS**  trans8712615786.50000119.8
243Q28.6Very low28.9Very low203 Ų203158.4 Ų158.495%0.94984%0.837SS**  trans-79.4147.8175.3-69.7171.3-33.700110.9
244G26.6Very low28.7Very low73 Ų73155.2 Ų155.275%0.75383%0.828SS**  trans178.5100.2167.300000114.7
245E27.9Very low28.9Very low202 Ų202158.3 Ų158.394%0.94483%0.827SS**  trans59.1127.7146.6-63.5-174.7156.100123.3
246R29.8Very low29.5Very low256 Ų256160.2 Ų160.297%0.96683%0.831SS**  trans-88.6114.3175.3-72.6176.8176.8-177.8-1.5110.8
247G27.8Very low30.7Very low75 Ų75153 Ų15377%0.77381%0.806SS**  trans-105.1125.5162.200000111.1
248K32.8Very low32.1Very low208 Ų208152.9 Ų152.990%0.90480%0.8SS**  trans-72.5121.8172.4-77.4175.4175.2174.50109.2
249D27.4Very low34.1Very low165 Ų165150.8 Ų150.888%0.88279%0.786SS**  trans-135.3142.2162.1-92.7-40.3000113.3
250K27.7Very low36.5Very low202 Ų202142.2 Ų142.288%0.87876%0.759SS**  trans-68.2141-163.7-71.3167.7174.1172.80112.4G252K250-G252 PolarHBondContact O-N 2.79Å
251K30.6Very low38.9Very low218 Ų218132.6 Ų132.695%0.94873%0.733SS**  trans-52.6105.5166.3-79.9179.1171.6-179.30110.6
252G25.4Very low41.4Very low61 Ų61134.7 Ų134.763%0.62973%0.733SS**  trans-113.1111.9160.800000108.5K250 C254K250-G252 PolarHBondContact O-N 2.79Å; G252-C254 PolarHBondContact O-N 3.27Å
253S28.1Very low44.2Very low113 Ų113129.4 Ų129.479%0.7970%0.695SS**  trans-63.6120.2172.3175.20000109.6
254C27.9Very low47.1Very low91 Ų91119.8 Ų119.862%0.61565%0.65SS**  trans-90.4115.4176.1-62.80000109.8G252G252-C254 PolarHBondContact O-N 3.27Å
255N32.9Very low50.2Low135 Ų135116.3 Ų116.372%0.72261%0.614SS**  trans-75.1131.6177.5-71.8-22.1000110.8
256L42.3Very low53.3Low122 Ų122107.8 Ų107.864%0.63957%0.574SS**  trans-54.2149.8154.4-84.190.6000108.7R258L256-R258 VanDerWaalsContact C-N 3.3Å; L256-R258 PolarHBondContact O-N 2.88Å
257S54.2Low56.3Low53 Ų5396 Ų9637%0.37153%0.531SS..  trans-58.8102.9155.755.20000106.6V259S257-V259 PolarHBondContact O-N 3.36Å
258R62.8Low59.2Low204 Ų20496.5 Ų96.577%0.7752%0.519SS*.  trans-66.3129.6-168.5-155.2175-172.9174.30.7108.2L256 D260L256-R258 VanDerWaalsContact C-N 3.3Å; L256-R258 PolarHBondContact O-N 2.88Å; R258-D260 PolarHBondContact O-N 3.48Å
259V71.9Confident61.6Low78 Ų7894.1 Ų94.147%0.47351%0.511SS..  trans-67.3102.6168.7-177.50000106.5L225 S257 C264L225-V259 HydrophobicContact CD1-CG2 3.85Å; S257-V259 PolarHBondContact O-N 3.36Å; V259-C264 WeakPolarHBondContact CG1-SG 3.42Å
260D80.7Confident64.6Low64 Ų6491.8 Ų91.834%0.34250%0.495SS..  trans-127.8178.2179.870.628.6000111.5R258 T262 T263R258-D260 PolarHBondContact O-N 3.48Å; D260-T262 PolarHBondContact O-N 3.04Å; D260-T262 VanDerWaalsContact O-N 3.09Å; D260-T262 WeakPolarHBondContact OD1-CA 3.33Å; D260-T262 WeakPolarHBondContact OD1-CB 3.48Å; D260-T262 PolarHBondContact OD1-N 2.91Å; D260-T262 PolarHBondContact OD1-OG1 3.08Å; D260-T263 PolarHBondContact N-OG1 3.19Å; D260-T263 PolarHBondContact O-N 3.44Å; D260-T263 PolarHBondContact O-OG1 3.12Å; D260-T263 WeakPolarHBondContact OD1-CG2 3.4Å; D260-T263 PolarHBondContact OD1-N 3.38Å
261S77.1Confident67.7Low69 Ų6988 Ų8848%0.48348%0.478SS..THydrogen-bonded Turntrans-62.4-12.9-179.452.60000114.7F266S261-F266 WeakPolarHBondContact O-CE1 3.28Å; S261-F266 WeakPolarHBondContact O-CZ 3.42Å
262T80Confident70.9Confident107 Ų10778.8 Ų78.866%0.65644%0.443SS*.THydrogen-bonded Turntrans-94.1-10.717668.50000112.8D260D260-T262 PolarHBondContact O-N 3.04Å; D260-T262 VanDerWaalsContact O-N 3.09Å; D260-T262 WeakPolarHBondContact OD1-CA 3.33Å; D260-T262 WeakPolarHBondContact OD1-CB 3.48Å; D260-T262 PolarHBondContact OD1-N 2.91Å; D260-T262 PolarHBondContact OD1-OG1 3.08Å
263T84.8Confident74.3Confident18 Ų1876 Ų7611%0.1141%0.413CS..THydrogen-bonded Turntrans-108.5-6.4-174.260.10000114.7P223 L225 D260P223-T263 HydrophobicContact CG-CG2 4.45Å; L225-T263 HydrophobicContact CD2-CG2 3.95Å; D260-T263 PolarHBondContact N-OG1 3.19Å; D260-T263 PolarHBondContact O-N 3.44Å; D260-T263 PolarHBondContact O-OG1 3.12Å; D260-T263 WeakPolarHBondContact OD1-CG2 3.4Å; D260-T263 PolarHBondContact OD1-N 3.38Å
264C89.4Confident77.7Confident1 Ų171.1 Ų71.11%0.00738%0.378CS..SBendtrans-121.8154.4-175.3-56.10000112.6S218 V259 F266 R306 L307S218-C264 PolarHBondContact OG-O 3.12Å; V259-C264 WeakPolarHBondContact CG1-SG 3.42Å; C264-F266 HydrophobicContact CB-CD1 4Å; C264-F266 HydrophobicContact CB-CE1 4.46Å; C264-F266 VanDerWaalsContact O-CD1 3.3Å; C264-F266 WeakPolarHBondContact O-CD1 3.3Å; C264-F266 WeakPolarHBondContact O-CE1 3.27Å; C264-R306 HydrophobicContact CB-CB 4.01Å; C264-L307 CarbonylContact C-O 3.59Å; C264-L307 VanDerWaalsContact CA-O 3.26Å; C264-L307 WeakPolarHBondContact CA-O 3.35Å; C264-L307 WeakPolarHBondContact CB-O 3.44Å
265L92.7Very high81.1Confident0 Ų066.8 Ų66.80%035%0.349CS..BIsolated β-bridgetrans-90.6119.4166.7-176.573.8000110.4V211 L217 S218 T219 I222 Y275 I292 L307 V324V211-L265 HydrophobicContact CB-CD2 4.38Å; V211-L265 HydrophobicContact CG1-CD2 4.15Å; V211-L265 HydrophobicContact CG2-CD2 4.24Å; L217-L265 HydrophobicContact CB-CD1 3.85Å; L217-L265 HydrophobicContact CD1-CD1 4.21Å; L217-L265 HydrophobicContact CG-CD1 4.46Å; S218-L265 WeakPolarHBondContact OG-CA 3.27Å; T219-L265 HydrophobicContact CG2-CD1 4.06Å; T219-L265 WeakPolarHBondContact O-CD1 3.43Å; I222-L265 HydrophobicContact CD1-CB 3.65Å; I222-L265 HydrophobicContact CD1-CD2 4.07Å; I222-L265 HydrophobicContact CD1-CG 4.42Å; I222-L265 HydrophobicContact CG1-CB 3.97Å; L265-Y275 PolarHBondContact O-OH 3.09Å; L265-I292 HydrophobicContact CD2-CD1 3.98Å; L265-L307 HydrophobicContact CB-CB 4.23Å; L265-L307 HydrophobicContact CD2-CD2 4.23Å; L265-L307 PolarHBondContact N-O 3.31Å; L265-L307 PolarHBondContact O-N 2.77Å; L265-V324 HydrophobicContact CD1-CG2 4.45Å; L265-V324 HydrophobicContact CD2-CG2 4.34Å
266F93.1Very high84.2Confident24 Ų2460.4 Ų60.411%0.10532%0.315CS..  trans-157.2160.1178.261-79.9000110.6S218 S261 C264 R306S218-F266 WeakPolarHBondContact CB-O 3.45Å; S218-F266 PolarHBondContact N-O 3.44Å; S218-F266 PolarHBondContact OG-N 3.25Å; S218-F266 VanDerWaalsContact OG-N 3.14Å; S218-F266 PolarHBondContact OG-O 2.76Å; S261-F266 WeakPolarHBondContact O-CE1 3.28Å; S261-F266 WeakPolarHBondContact O-CZ 3.42Å; C264-F266 HydrophobicContact CB-CD1 4Å; C264-F266 HydrophobicContact CB-CE1 4.46Å; C264-F266 VanDerWaalsContact O-CD1 3.3Å; C264-F266 WeakPolarHBondContact O-CD1 3.3Å; C264-F266 WeakPolarHBondContact O-CE1 3.27Å; F266-R306 HydrophobicContact CB-CB 4.17Å; F266-R306 HydrophobicContact CB-CG 3.83Å; F266-R306 HydrophobicContact CD1-CG 4.48Å; F266-R306 HydrophobicContact CG-CG 4.19Å
267P92.9Very high86.9Confident8 Ų854.6 Ų54.65%0.05228%0.284CS..BIsolated β-bridgetrans-67.5132.9170.427.5-35.8000111.8H215 E270 V273H215-P267 HydrophobicContact CB-CB 3.99Å; P267-E270 VanDerWaalsContact CB-O 3.22Å; P267-E270 WeakPolarHBondContact CB-O 3.47Å; P267-E270 WeakPolarHBondContact CG-O 3.26Å; P267-V273 HydrophobicContact CG-CB 4.01Å; P267-V273 HydrophobicContact CG-CG1 4.26Å
268V87.9Confident88.9Confident86 Ų8652 Ų5252%0.52127%0.267SS..SBendtrans-75.8-42.4-168.6177.20000113.9K216K216-V268 PolarHBondContact O-N 3.14Å
269E83.3Confident90.5Very high158 Ų15842.5 Ų42.574%0.73823%0.231SC*.SBendtrans-98.2-32.2-170.4-68.1176.3-174.800113.1
270E91.8Very high91.4Very high115 Ų11540 Ų4054%0.53722%0.215SC..  trans-131.1170-175.1-73.1-63.4163.600109.8H215 P267H215-E270 VanDerWaalsContact CE1-CG 3.42Å; H215-E270 WeakPolarHBondContact CE1-CG 3.34Å; H215-E270 WeakPolarHBondContact NE2-CB 3.49Å; P267-E270 VanDerWaalsContact CB-O 3.22Å; P267-E270 WeakPolarHBondContact CB-O 3.47Å; P267-E270 WeakPolarHBondContact CG-O 3.26Å
271K92.5Very high91.9Very high122 Ų12237.6 Ų37.653%0.5320%0.204SC..  trans-92.6-14.6-179.4-62-176-178.7-179.90114.6Y10 H11 V273Y10-K271 HydrophobicContact CD1-CB 4.46Å; Y10-K271 WeakPolarHBondContact CD1-O 3.25Å; Y10-K271 HydrophobicContact CE1-CB 4.21Å; H11-K271 HydrophobicContact CB-CB 4.04Å; H11-K271 VanDerWaalsContact CD2-CB 3.44Å; H11-K271 WeakPolarHBondContact CD2-CB 3.35Å; H11-K271 VanDerWaalsContact CD2-CD 3.43Å; H11-K271 WeakPolarHBondContact CD2-CD 3.37Å; H11-K271 WeakPolarHBondContact NE2-CD 3.46Å; K271-V273 PolarHBondContact O-N 3.08Å
272A97Very high92.5Very high26 Ų2634.5 Ų34.522%0.21518%0.183CC..  trans-63.3113.2-172.400000112.5Y10 V12 S213Y10-A272 WeakPolarHBondContact O-CA 3.35Å; V12-A272 HydrophobicContact CG2-CB 3.93Å; S213-A272 PolarHBondContact OG-O 3.18Å
273V97.9Very high93.2Very high1 Ų129.4 Ų29.41%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-153.8147.6177.562.90000111.4Y10 V211 P267 K271 Y275Y10-V273 HydrophobicContact CD1-CG1 4.33Å; Y10-V273 PolarHBondContact N-O 2.83Å; Y10-V273 PolarHBondContact O-N 2.81Å; V211-V273 HydrophobicContact CG2-CG2 3.95Å; P267-V273 HydrophobicContact CG-CB 4.01Å; P267-V273 HydrophobicContact CG-CG1 4.26Å; K271-V273 PolarHBondContact O-N 3.08Å; V273-Y275 HydrophobicContact CB-CE2 4.28Å; V273-Y275 HydrophobicContact CG1-CD2 4.32Å; V273-Y275 HydrophobicContact CG1-CE2 3.55Å; V273-Y275 HydrophobicContact CG2-CD2 4.26Å; V273-Y275 HydrophobicContact CG2-CE1 4.25Å; V273-Y275 HydrophobicContact CG2-CE2 3.69Å
274E98.4Very high93.7Very high11 Ų1128.5 Ų28.55%0.05115%0.146CC..EExtended strand (participates in β ladder)trans-121.6134175-67166.5111.300110.2Y7 L8 N9 V12 R14 V211 R212 Y276Y7-E274 HydrophobicContact CE2-CB 4.09Å; Y7-E274 HydrophobicContact CE2-CG 4.02Å; Y7-E274 PolarHBondContact OH-OE1 3.13Å; L8-E274 CarbonylContact O-C 3.53Å; L8-E274 VanDerWaalsContact O-CA 3.3Å; L8-E274 WeakPolarHBondContact O-CA 3.43Å; N9-E274 HydrophobicContact CB-CG 4.49Å; V12-E274 HydrophobicContact CB-CG 4.19Å; V12-E274 HydrophobicContact CG1-CG 4.21Å; V12-E274 HydrophobicContact CG2-CG 4.07Å; R14-E274 IonicContact NE-OE1 3.95Å; R14-E274 IonicContact NH2-OE1 3.61Å; V211-E274 WeakPolarHBondContact CA-O 3.24Å; R212-E274 HydrophobicContact CB-CB 4.39Å; R212-E274 IonicContact CZ-OE1 3.79Å; R212-E274 IonicContact CZ-OE2 3.61Å; R212-E274 PolarHBondContact N-O 2.93Å; R212-E274 IonicContact NE-OE2 3.68Å; R212-E274 PolarHBondContact NE-OE2 3.07Å; R212-E274 IonicContact NH2-OE1 3.18Å; R212-E274 PolarHBondContact NH2-OE1 3.19Å; R212-E274 IonicContact NH2-OE2 2.85Å; R212-E274 PolarHBondContact NH2-OE2 3.03Å; R212-E274 PolarHBondContact O-N 3.08Å; E274-Y276 HydrophobicContact CB-CE2 3.83Å; E274-Y276 PolarHBondContact OE1-OH 3.24Å
275Y98.6Very high93.9Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-118.3139.9175.8-62.6-82.1000111.1L8 I209 G210 V211 L265 V273 V302 G305 L307L8-Y275 HydrophobicContact CD2-CD2 4.34Å; L8-Y275 PolarHBondContact N-O 2.84Å; L8-Y275 PolarHBondContact O-N 2.93Å; I209-Y275 HydrophobicContact CG2-CD1 4.12Å; G210-Y275 WeakPolarHBondContact O-CA 3.43Å; V211-Y275 HydrophobicContact CB-CD1 4.26Å; V211-Y275 HydrophobicContact CB-CE1 4.3Å; V211-Y275 HydrophobicContact CG2-CD1 4.1Å; V211-Y275 HydrophobicContact CG2-CE1 3.79Å; L265-Y275 PolarHBondContact O-OH 3.09Å; V273-Y275 HydrophobicContact CB-CE2 4.28Å; V273-Y275 HydrophobicContact CG1-CD2 4.32Å; V273-Y275 HydrophobicContact CG1-CE2 3.55Å; V273-Y275 HydrophobicContact CG2-CD2 4.26Å; V273-Y275 HydrophobicContact CG2-CE1 4.25Å; V273-Y275 HydrophobicContact CG2-CE2 3.69Å; Y275-V302 HydrophobicContact CD1-CG2 4.49Å; Y275-V302 HydrophobicContact CD2-CG1 3.91Å; Y275-V302 HydrophobicContact CD2-CG2 4.13Å; Y275-V302 HydrophobicContact CE2-CG1 3.83Å; Y275-V302 HydrophobicContact CE2-CG2 4.37Å; Y275-V302 HydrophobicContact CG-CG2 4.17Å; Y275-G305 PolarHBondContact OH-O 2.81Å; Y275-L307 HydrophobicContact CD1-CD2 4.46Å; Y275-L307 HydrophobicContact CE1-CB 3.76Å; Y275-L307 HydrophobicContact CE1-CD2 4.15Å
276Y98.6Very high93.9Very high1 Ų131 Ų310%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-126.3102.1-177.5-56.9-89.5000109.6F5 A6 Y7 T22 I209 G210 R212 E274 Y287 T288F5-Y276 HydrophobicContact CE2-CD1 4.3Å; F5-Y276 AromaticContact CZ-CD1 3.98Å; F5-Y276 HydrophobicContact CZ-CD1 3.98Å; A6-Y276 CarbonylContact O-C 3.58Å; A6-Y276 WeakPolarHBondContact O-CA 3.45Å; Y7-Y276 AromaticContact CD2-CD1 3.79Å; Y7-Y276 HydrophobicContact CD2-CD1 3.79Å; Y7-Y276 AromaticContact CD2-CE1 3.33Å; Y7-Y276 HydrophobicContact CD2-CE1 3.33Å; Y7-Y276 AromaticContact CD2-CZ 3.91Å; Y7-Y276 HydrophobicContact CE2-CD1 4.44Å; Y7-Y276 AromaticContact CE2-CE1 3.58Å; Y7-Y276 HydrophobicContact CE2-CE1 3.58Å; Y7-Y276 AromaticContact CE2-CZ 3.72Å; Y7-Y276 HydrophobicContact CG-CE1 4.35Å; T22-Y276 HydrophobicContact CG2-CE1 4.5Å; I209-Y276 CarbonylContact C-O 3.55Å; I209-Y276 WeakPolarHBondContact CA-O 3.48Å; G210-Y276 PolarHBondContact N-O 3.5Å; G210-Y276 PolarHBondContact O-N 2.76Å; R212-Y276 HydrophobicContact CB-CE2 4.1Å; R212-Y276 PolarHBondContact NH2-OH 3.16Å; R212-Y276 VanDerWaalsContact NH2-OH 3.16Å; E274-Y276 HydrophobicContact CB-CE2 3.83Å; E274-Y276 PolarHBondContact OE1-OH 3.24Å; Y276-Y287 AromaticContact CD1-CD2 3.76Å; Y276-Y287 HydrophobicContact CD1-CD2 3.76Å; Y276-Y287 HydrophobicContact CD1-CE2 4.3Å; Y276-Y287 HydrophobicContact CD1-CG 4.07Å; Y276-Y287 AromaticContact CE1-CD1 3.96Å; Y276-Y287 HydrophobicContact CE1-CD1 3.96Å; Y276-Y287 AromaticContact CE1-CD2 3.66Å; Y276-Y287 HydrophobicContact CE1-CD2 3.66Å; Y276-Y287 HydrophobicContact CE1-CE1 4.46Å; Y276-Y287 HydrophobicContact CE1-CE2 4.2Å; Y276-Y287 AromaticContact CE1-CG 3.53Å; Y276-Y287 HydrophobicContact CE1-CG 3.53Å; Y276-Y287 HydrophobicContact CE2-CG 4.48Å; Y276-Y287 HydrophobicContact CG-CD2 4.48Å; Y276-Y287 AromaticContact CZ-CG 3.77Å; Y276-T288 HydrophobicContact CD2-CG2 4.14Å; Y276-T288 HydrophobicContact CE2-CG2 4.49Å
277F98.6Very high94Very high0 Ų031.4 Ų31.40%016%0.159CC..EExtended strand (participates in β ladder)trans-83.9132.3173.8-63.3-108.4000108.6F5 A6 V188 A198 L208 I209 V302F5-F277 CarbonylContact C-O 3.52Å; F5-F277 VanDerWaalsContact CA-O 3.24Å; F5-F277 WeakPolarHBondContact CA-O 3.28Å; A6-F277 HydrophobicContact CB-CB 4.02Å; A6-F277 HydrophobicContact CB-CD2 4.36Å; A6-F277 PolarHBondContact N-O 2.98Å; A6-F277 PolarHBondContact O-N 3.2Å; V188-F277 HydrophobicContact CG2-CB 4.04Å; V188-F277 HydrophobicContact CG2-CD1 4.31Å; V188-F277 HydrophobicContact CG2-CG 4.41Å; A198-F277 HydrophobicContact CB-CE2 3.73Å; A198-F277 HydrophobicContact CB-CZ 3.8Å; L208-F277 WeakPolarHBondContact O-CA 3.27Å; I209-F277 HydrophobicContact CD1-CD1 3.97Å; I209-F277 HydrophobicContact CD1-CE1 3.45Å; I209-F277 VanDerWaalsContact CD1-CE1 3.45Å; I209-F277 HydrophobicContact CD1-CZ 4.02Å; I209-F277 HydrophobicContact CG1-CD1 3.72Å; I209-F277 HydrophobicContact CG1-CE1 3.74Å; I209-F277 HydrophobicContact CG1-CG 4.39Å; I209-F277 HydrophobicContact CG1-CZ 4.41Å; F277-V302 HydrophobicContact CE2-CG2 4.2Å; F277-V302 HydrophobicContact CZ-CG2 3.87Å
278A97.6Very high94.2Very high0 Ų031.8 Ų31.80%016%0.161CC..EExtended strand (participates in β ladder)trans-149.5150.8177.500000112.8I4 F5 L208 D280 A283 V284I4-A278 VanDerWaalsContact O-CA 3.26Å; I4-A278 WeakPolarHBondContact O-CA 3.34Å; F5-A278 HydrophobicContact CD2-CB 4.3Å; L208-A278 HydrophobicContact CD1-CB 4.19Å; L208-A278 WeakPolarHBondContact CG-O 3.23Å; L208-A278 PolarHBondContact N-O 3.47Å; L208-A278 PolarHBondContact O-N 3.28Å; A278-D280 VanDerWaalsContact C-N 3.32Å; A278-D280 VanDerWaalsContact CB-O 3.28Å; A278-D280 WeakPolarHBondContact CB-O 3.4Å; A278-A283 HydrophobicContact CB-CB 4.23Å; A278-V284 HydrophobicContact CB-CG2 3.52Å
279S94.8Very high94.5Very high3 Ų331.2 Ų31.22%0.02116%0.155CC..SBendtrans-82.7-916956.70000113.8I4 R33 N123I4-S279 PolarHBondContact N-OG 3.31Å; I4-S279 PolarHBondContact O-N 3.35Å; R33-S279 PolarHBondContact NH1-O 3.24Å; N123-S279 VanDerWaalsContact ND2-CB 3.34Å; N123-S279 WeakPolarHBondContact ND2-CB 3.43Å; N123-S279 PolarHBondContact ND2-OG 3.29Å
280D91.5Very high95Very high25 Ų2527.1 Ų27.113%0.13413%0.133CC..SBendtrans-144.7146.3176.4-165.6-73.8000110.6L30 Y32 R33 A278 S282L30-D280 HydrophobicContact CD2-CB 3.5Å; Y32-D280 VanDerWaalsContact OH-CG 3.26Å; Y32-D280 PolarHBondContact OH-OD2 3.03Å; R33-D280 IonicContact CZ-OD2 3.33Å; R33-D280 IonicContact NE-OD2 2.69Å; R33-D280 PolarHBondContact NE-OD2 2.81Å; R33-D280 VanDerWaalsContact NE-OD2 3.13Å; R33-D280 IonicContact NH1-OD2 2.72Å; R33-D280 IonicContact NH2-OD2 3.5Å; R33-D280 PolarHBondContact NH2-OD2 2.89Å; A278-D280 VanDerWaalsContact C-N 3.32Å; A278-D280 VanDerWaalsContact CB-O 3.28Å; A278-D280 WeakPolarHBondContact CB-O 3.4Å; D280-S282 VanDerWaalsContact C-N 3.25Å; D280-S282 PolarHBondContact O-N 3.01Å; D280-S282 VanDerWaalsContact OD1-CB 3.23Å; D280-S282 WeakPolarHBondContact OD1-CB 3.32Å; D280-S282 PolarHBondContact OD1-N 2.8Å; D280-S282 PolarHBondContact OD1-OG 3.17Å; D280-S282 VanDerWaalsContact OD1-OG 3.1Å
281A90.9Very high95.2Very high14 Ų1421.7 Ų21.712%0.11611%0.107CC..G310 helixtrans-67.2-23178.900000113.4L208 A283 V284 I285 L327 M329L208-A281 HydrophobicContact CD2-CB 4.02Å; A281-A283 PolarHBondContact O-N 3.39Å; A281-V284 PolarHBondContact O-N 3.45Å; A281-I285 PolarHBondContact O-N 3.25Å; A281-L327 HydrophobicContact CB-CD1 3.77Å; A281-M329 HydrophobicContact CB-SD 4.27Å
282S90.9Very high95.3Very high4 Ų415.9 Ų15.93%0.0288%0.082CC..G310 helixtrans-57.8-32.117968.70000113.1R29 D280 V284 I334R29-S282 WeakPolarHBondContact CG-O 3.35Å; R29-S282 PolarHBondContact O-OG 3.04Å; D280-S282 VanDerWaalsContact C-N 3.25Å; D280-S282 PolarHBondContact O-N 3.01Å; D280-S282 VanDerWaalsContact OD1-CB 3.23Å; D280-S282 WeakPolarHBondContact OD1-CB 3.32Å; D280-S282 PolarHBondContact OD1-N 2.8Å; D280-S282 PolarHBondContact OD1-OG 3.17Å; D280-S282 VanDerWaalsContact OD1-OG 3.1Å; S282-V284 VanDerWaalsContact C-N 3.32Å; S282-I334 VanDerWaalsContact O-CD1 3.27Å; S282-I334 WeakPolarHBondContact O-CD1 3.49Å
283A94.4Very high95.1Very high0 Ų017 Ų170%08%0.083CC..G310 helixtrans-79.9-14.3178.100000113.4F5 R29 L30 A278 A281 Y287F5-A283 HydrophobicContact CD2-CB 3.68Å; F5-A283 HydrophobicContact CE2-CB 4.07Å; F5-A283 WeakPolarHBondContact CE2-O 3.47Å; R29-A283 HydrophobicContact CB-CB 4.06Å; L30-A283 HydrophobicContact CD1-CB 4.05Å; L30-A283 HydrophobicContact CD2-CB 3.95Å; L30-A283 HydrophobicContact CG-CB 3.88Å; A278-A283 HydrophobicContact CB-CB 4.23Å; A281-A283 PolarHBondContact O-N 3.39Å; A283-Y287 WeakPolarHBondContact O-CD2 3.38Å; A283-Y287 WeakPolarHBondContact O-CE2 3.41Å
284V95.3Very high94.9Very high0 Ų017 Ų170%08%0.083CC..THydrogen-bonded Turntrans-105.6-33-174.5179.90000111.9L208 A278 A281 S282 E286 Y287 T288 V291L208-V284 HydrophobicContact CD1-CB 4.38Å; L208-V284 HydrophobicContact CD1-CG2 3.7Å; A278-V284 HydrophobicContact CB-CG2 3.52Å; A281-V284 PolarHBondContact O-N 3.45Å; S282-V284 VanDerWaalsContact C-N 3.32Å; V284-E286 PolarHBondContact O-N 3.16Å; V284-E286 VanDerWaalsContact O-N 3.08Å; V284-Y287 PolarHBondContact O-N 3.14Å; V284-T288 HydrophobicContact CG1-CG2 3.63Å; V284-T288 PolarHBondContact O-N 3.44Å; V284-T288 VanDerWaalsContact O-O 3.13Å; V284-V291 HydrophobicContact CG1-CG1 4.02Å
285I93.6Very high94.5Very high18 Ų1818.2 Ų18.29%0.0929%0.088CC..THydrogen-bonded Turntrans-61.6-25.1-168-163.757.4000114.7A281 Y287 T288 N289 L327 M329 L331 I334A281-I285 PolarHBondContact O-N 3.25Å; I285-Y287 VanDerWaalsContact C-N 3.28Å; I285-T288 WeakPolarHBondContact CA-O 3.38Å; I285-N289 HydrophobicContact CD1-CB 3.78Å; I285-L327 HydrophobicContact CD1-CB 4.05Å; I285-L327 HydrophobicContact CD1-CD1 4.06Å; I285-M329 HydrophobicContact CD1-CB 4.25Å; I285-M329 VanDerWaalsContact CD1-O 3.29Å; I285-M329 WeakPolarHBondContact CD1-O 3.15Å; I285-M329 HydrophobicContact CG1-CB 4.21Å; I285-M329 HydrophobicContact CG1-CG 4.21Å; I285-M329 WeakPolarHBondContact CG1-O 3.31Å; I285-M329 HydrophobicContact CG2-CE 4.37Å; I285-L331 HydrophobicContact CG2-CD1 4.49Å; I285-I334 HydrophobicContact CG2-CD1 3.57Å; I285-I334 HydrophobicContact CG2-CG1 4.45Å
286E93.3Very high94.1Very high34 Ų3420.5 Ų20.516%0.15910%0.1CC..THydrogen-bonded Turntrans-73.3-20.1174.558169.6-118.300113.7K25 R29 V284 L331K25-E286 WeakPolarHBondContact CD-OE1 3.42Å; K25-E286 VanDerWaalsContact CE-CD 3.47Å; K25-E286 WeakPolarHBondContact CE-OE1 3.38Å; K25-E286 WeakPolarHBondContact CE-OE2 2.98Å; K25-E286 VanDerWaalsContact NZ-CD 3.28Å; K25-E286 IonicContact NZ-OE1 2.85Å; K25-E286 PolarHBondContact NZ-OE1 2.79Å; K25-E286 IonicContact NZ-OE2 3.94Å; K25-E286 PolarHBondContact NZ-OE2 3.45Å; R29-E286 IonicContact CZ-OE2 2.72Å; R29-E286 VanDerWaalsContact CZ-OE2 3.31Å; R29-E286 IonicContact NE-OE2 2.87Å; R29-E286 PolarHBondContact NE-OE2 3.19Å; R29-E286 IonicContact NH2-OE2 2.78Å; R29-E286 PolarHBondContact NH2-OE2 2.85Å; V284-E286 PolarHBondContact O-N 3.16Å; V284-E286 VanDerWaalsContact O-N 3.08Å; E286-L331 HydrophobicContact CB-CD1 3.83Å; E286-L331 HydrophobicContact CB-CD2 4.16Å
287Y95.4Very high93.8Very high33 Ų3323.4 Ų23.413%0.12912%0.116CC..THydrogen-bonded Turntrans-101-43.3179.3-53.2-69.6000111.5F5 T22 R212 Y276 A283 V284 I285F5-Y287 HydrophobicContact CE2-CE2 4.27Å; F5-Y287 AromaticContact CZ-CE2 3.84Å; F5-Y287 HydrophobicContact CZ-CE2 3.84Å; T22-Y287 HydrophobicContact CG2-CE1 4.14Å; T22-Y287 HydrophobicContact CG2-CE2 4.47Å; T22-Y287 WeakPolarHBondContact CG2-OH 3.1Å; T22-Y287 PolarHBondContact O-OH 3.35Å; R212-Y287 WeakPolarHBondContact CD-O 3.35Å; Y276-Y287 AromaticContact CD1-CD2 3.76Å; Y276-Y287 HydrophobicContact CD1-CD2 3.76Å; Y276-Y287 HydrophobicContact CD1-CE2 4.3Å; Y276-Y287 HydrophobicContact CD1-CG 4.07Å; Y276-Y287 AromaticContact CE1-CD1 3.96Å; Y276-Y287 HydrophobicContact CE1-CD1 3.96Å; Y276-Y287 AromaticContact CE1-CD2 3.66Å; Y276-Y287 HydrophobicContact CE1-CD2 3.66Å; Y276-Y287 HydrophobicContact CE1-CE1 4.46Å; Y276-Y287 HydrophobicContact CE1-CE2 4.2Å; Y276-Y287 AromaticContact CE1-CG 3.53Å; Y276-Y287 HydrophobicContact CE1-CG 3.53Å; Y276-Y287 HydrophobicContact CE2-CG 4.48Å; Y276-Y287 HydrophobicContact CG-CD2 4.48Å; Y276-Y287 AromaticContact CZ-CG 3.77Å; A283-Y287 WeakPolarHBondContact O-CD2 3.38Å; A283-Y287 WeakPolarHBondContact O-CE2 3.41Å; V284-Y287 PolarHBondContact O-N 3.14Å; I285-Y287 VanDerWaalsContact C-N 3.28Å
288T95.4Very high93.6Very high17 Ų1723.4 Ų23.410%0.10412%0.116CC..  trans-157.8147.9-178.1-177.30000111.6V211 Y276 V284 I285 R290V211-T288 WeakPolarHBondContact O-CB 3.44Å; V211-T288 WeakPolarHBondContact O-CG2 3.2Å; V211-T288 PolarHBondContact O-OG1 3.12Å; Y276-T288 HydrophobicContact CD2-CG2 4.14Å; Y276-T288 HydrophobicContact CE2-CG2 4.49Å; V284-T288 HydrophobicContact CG1-CG2 3.63Å; V284-T288 PolarHBondContact O-N 3.44Å; V284-T288 VanDerWaalsContact O-O 3.13Å; I285-T288 WeakPolarHBondContact CA-O 3.38Å; T288-R290 PolarHBondContact OG1-N 2.86Å; T288-R290 VanDerWaalsContact OG1-N 3.1Å
289N93.9Very high93.5Very high73 Ų7323.4 Ų23.439%0.3912%0.116SC..SBendtrans-98.30.1170.4656.9000112.8I285 T326 L327I285-N289 HydrophobicContact CD1-CB 3.78Å; N289-T326 HydrophobicContact CB-CG2 4.46Å; N289-T326 CarbonylContact O-C 3.39Å; N289-T326 WeakPolarHBondContact O-CA 3.26Å; N289-L327 HydrophobicContact CB-CB 4.39Å; N289-L327 PolarHBondContact O-N 2.96Å
290R95.2Very high93.7Very high73 Ų7323.2 Ų23.228%0.27512%0.115SC..EExtended strand (participates in β ladder)trans-92.4111.7178.1-62.9-70.7-71.5168.8-0.2109.2G210 V211 T288 V324 Q325 T326G210-R290 WeakPolarHBondContact CA-O 3.26Å; V211-R290 HydrophobicContact CG1-CB 4.08Å; V211-R290 PolarHBondContact N-O 2.74Å; V211-R290 VanDerWaalsContact N-O 3.08Å; T288-R290 PolarHBondContact OG1-N 2.86Å; T288-R290 VanDerWaalsContact OG1-N 3.1Å; R290-V324 HydrophobicContact CB-CG1 4.18Å; R290-V324 PolarHBondContact NH1-O 3.5Å; R290-Q325 WeakPolarHBondContact CA-O 3.48Å; R290-T326 PolarHBondContact NH1-OG1 2.62Å
291V95.3Very high94Very high0 Ų022 Ų220%011%0.108CC..EExtended strand (participates in β ladder)trans-131.9152.2-175.2-56.90000112.8L208 I209 V284 F293 Q325 L327L208-V291 HydrophobicContact CD1-CB 4.45Å; L208-V291 HydrophobicContact CD1-CG1 4.24Å; I209-V291 CarbonylContact O-C 3.53Å; I209-V291 VanDerWaalsContact O-CA 3.3Å; I209-V291 WeakPolarHBondContact O-CA 3.4Å; V284-V291 HydrophobicContact CG1-CG1 4.02Å; V291-F293 HydrophobicContact CG2-CD2 4.09Å; V291-F293 HydrophobicContact CG2-CE2 3.57Å; V291-F293 HydrophobicContact CG2-CZ 4.08Å; V291-Q325 PolarHBondContact N-O 3.2Å; V291-Q325 PolarHBondContact O-N 2.75Å; V291-L327 HydrophobicContact CB-CD1 4.5Å; V291-L327 HydrophobicContact CG1-CD1 3.64Å; V291-L327 HydrophobicContact CG1-CG 4.11Å; V291-L327 HydrophobicContact CG2-CD1 4.02Å; V291-L327 HydrophobicContact CG2-CD2 3.72Å; V291-L327 HydrophobicContact CG2-CG 3.67Å
292I95.3Very high94.3Very high0 Ų021.4 Ų21.40%010%0.103CC..EExtended strand (participates in β ladder)trans-114117.8169.8-55.594.8000107.8L208 I209 V211 I222 L265 L307 I309 R322 V324L208-I292 CarbonylContact C-O 3.5Å; L208-I292 VanDerWaalsContact CA-O 3.23Å; L208-I292 WeakPolarHBondContact CA-O 3.36Å; L208-I292 WeakPolarHBondContact CB-O 3.43Å; I209-I292 PolarHBondContact N-O 2.96Å; I209-I292 WeakPolarHBondContact O-CD1 3.42Å; I209-I292 PolarHBondContact O-N 3.45Å; V211-I292 HydrophobicContact CG1-CD1 4.3Å; I222-I292 HydrophobicContact CD1-CG1 4.15Å; L265-I292 HydrophobicContact CD2-CD1 3.98Å; I292-L307 HydrophobicContact CD1-CD2 4.08Å; I292-I309 HydrophobicContact CG2-CD1 4.13Å; I292-R322 HydrophobicContact CG2-CB 3.61Å; I292-R322 HydrophobicContact CG2-CG 4.37Å; I292-V324 HydrophobicContact CD1-CG2 4.26Å; I292-V324 HydrophobicContact CG1-CB 4.48Å; I292-V324 HydrophobicContact CG1-CG2 3.9Å
293F92.8Very high94.6Very high51 Ų5123.4 Ų23.422%0.22412%0.115CC..EExtended strand (participates in β ladder)trans-83.5125.8171.6-70.9-84.2000109.7L208 V291 L327L208-F293 HydrophobicContact CB-CD1 3.96Å; L208-F293 HydrophobicContact CB-CE1 4.26Å; L208-F293 HydrophobicContact CD2-CD1 4.06Å; L208-F293 HydrophobicContact CD2-CE1 3.5Å; L208-F293 HydrophobicContact CD2-CZ 4.09Å; V291-F293 HydrophobicContact CG2-CD2 4.09Å; V291-F293 HydrophobicContact CG2-CE2 3.57Å; V291-F293 HydrophobicContact CG2-CZ 4.08Å; F293-L327 HydrophobicContact CE2-CD2 4.12Å; F293-L327 HydrophobicContact CZ-CD2 3.99Å
294L92.9Very high94.6Very high1 Ų128.6 Ų28.61%0.00514%0.143CC..  trans-79.8149.6173-57-176.5000110R202 L207 I209 D298 A300 I309R202-L294 WeakPolarHBondContact CD-O 2.97Å; R202-L294 HydrophobicContact CG-CB 3.98Å; L207-L294 HydrophobicContact CB-CD1 4.34Å; L207-L294 HydrophobicContact CD2-CD1 3.86Å; L207-L294 HydrophobicContact CG-CD1 4Å; L207-L294 WeakPolarHBondContact O-CB 3.47Å; L207-L294 PolarHBondContact O-N 3.43Å; L207-L294 VanDerWaalsContact O-N 3.09Å; I209-L294 HydrophobicContact CD1-CD1 4.33Å; I209-L294 HydrophobicContact CD1-CD2 4.25Å; L294-D298 HydrophobicContact CB-CB 4.23Å; L294-D298 HydrophobicContact CD2-CB 4.36Å; L294-A300 HydrophobicContact CD1-CB 3.96Å; L294-A300 HydrophobicContact CD2-CB 3.96Å; L294-I309 HydrophobicContact CD2-CD1 4.11Å
295E90.7Very high94.5Very high36 Ų3628.7 Ų28.717%0.16814%0.144CC..  trans-104.2171169.1-67.1-178.2173.300110.2R202 D298 R311 H319 R322R202-E295 VanDerWaalsContact CG-O 3.24Å; R202-E295 WeakPolarHBondContact CG-O 3.15Å; E295-D298 PolarHBondContact N-OD2 2.83Å; E295-D298 WeakPolarHBondContact O-CB 3.47Å; E295-D298 PolarHBondContact O-N 2.93Å; E295-R311 IonicContact OE2-CZ 3.85Å; E295-R311 IonicContact OE2-NH1 2.74Å; E295-R311 IonicContact OE2-NH2 3.85Å; E295-R311 PolarHBondContact OE2-NH2 3.17Å; E295-H319 IonicContact OE1-ND1 2.87Å; E295-H319 PolarHBondContact OE1-ND1 2.84Å; E295-R322 VanDerWaalsContact CD-CZ 3.44Å; E295-R322 IonicContact OE2-CZ 3.49Å; E295-R322 IonicContact OE2-NE 2.68Å; E295-R322 IonicContact OE2-NH1 3.75Å; E295-R322 PolarHBondContact OE2-NH1 3.1Å; E295-R322 IonicContact OE2-NH2 3.06Å; E295-R322 PolarHBondContact OE2-NH2 3.44Å
296D89.9Confident94.7Very high48 Ų4832.8 Ų32.826%0.25716%0.158SC..THydrogen-bonded Turntrans-58.9140.8178.1-73.8-1.4000111.2R202 R203 G204 D298 R311R202-D296 IonicContact CZ-OD1 3.37Å; R202-D296 IonicContact NE-OD1 3.52Å; R202-D296 PolarHBondContact NE-OD1 2.98Å; R202-D296 IonicContact NH2-OD1 4Å; R202-D296 PolarHBondContact NH2-OD1 2.96Å; R202-D296 CarbonylContact O-C 3.51Å; R202-D296 WeakPolarHBondContact O-CA 3.42Å; R203-D296 WeakPolarHBondContact CA-OD1 3.45Å; G204-D296 VanDerWaalsContact N-CG 3.3Å; G204-D296 PolarHBondContact N-OD1 2.93Å; G204-D296 PolarHBondContact N-OD2 2.86Å; D296-D298 PolarHBondContact O-N 3.21Å; D296-D298 VanDerWaalsContact O-N 3.16Å; D296-R311 PolarHBondContact O-NE 3.36Å; D296-R311 PolarHBondContact O-NH2 3.42Å
297D91.4Very high94.8Very high61 Ų6131.2 Ų31.233%0.32615%0.15SC..THydrogen-bonded Turntrans63.67.2-176.5-58.3-48.4000116R202 R203 V299R202-D297 PolarHBondContact O-N 2.93Å; R203-D297 IonicContact CZ-OD1 3.01Å; R203-D297 IonicContact NE-OD1 2.7Å; R203-D297 PolarHBondContact NE-OD1 2.82Å; R203-D297 IonicContact NH2-OD1 3.12Å; R203-D297 PolarHBondContact NH2-OD1 3.07Å; D297-V299 PolarHBondContact O-N 2.83Å
298D94.6Very high94.9Very high0 Ų029.9 Ų29.90%015%0.146CC..  trans-65.7132.8166.5-71.6-7.9000110.2T201 L294 E295 D296 I309 R311 R322T201-D298 VanDerWaalsContact CA-O 3.24Å; T201-D298 WeakPolarHBondContact CA-O 3.39Å; T201-D298 VanDerWaalsContact CB-O 3.24Å; T201-D298 WeakPolarHBondContact CB-O 3.47Å; T201-D298 PolarHBondContact OG1-O 3Å; L294-D298 HydrophobicContact CB-CB 4.23Å; L294-D298 HydrophobicContact CD2-CB 4.36Å; E295-D298 PolarHBondContact N-OD2 2.83Å; E295-D298 WeakPolarHBondContact O-CB 3.47Å; E295-D298 PolarHBondContact O-N 2.93Å; D296-D298 PolarHBondContact O-N 3.21Å; D296-D298 VanDerWaalsContact O-N 3.16Å; D298-I309 HydrophobicContact CB-CG2 4.08Å; D298-R311 IonicContact OD1-CZ 3.95Å; D298-R311 VanDerWaalsContact OD1-CZ 3.3Å; D298-R311 IonicContact OD1-NE 3.24Å; D298-R311 PolarHBondContact OD1-NE 3.25Å; D298-R311 IonicContact OD1-NH2 3.9Å; D298-R311 PolarHBondContact OD1-NH2 3.16Å; D298-R322 IonicContact OD1-CZ 3.13Å; D298-R322 IonicContact OD1-NE 2.72Å; D298-R322 IonicContact OD1-NH2 2.6Å; D298-R322 PolarHBondContact OD1-NH2 2.78Å; D298-R322 IonicContact OD2-CZ 2.56Å; D298-R322 IonicContact OD2-NE 3.77Å; D298-R322 PolarHBondContact OD2-NE 3.25Å; D298-R322 IonicContact OD2-NH2 3.92Å; D298-R322 PolarHBondContact OD2-NH2 3.17Å
299V96.8Very high94.9Very high0 Ų029 Ų290%014%0.141CC..EExtended strand (participates in β ladder)trans-116.398.6169.2-170.90000108T171 V174 E175 I178 V199 D297 H310T171-V299 HydrophobicContact CG2-CB 4.34Å; T171-V299 HydrophobicContact CG2-CG1 3.74Å; V174-V299 HydrophobicContact CG1-CG1 4.22Å; E175-V299 HydrophobicContact CG-CG2 4.05Å; I178-V299 HydrophobicContact CD1-CG2 3.55Å; V199-V299 HydrophobicContact CG1-CG1 3.6Å; D297-V299 PolarHBondContact O-N 2.83Å; V299-H310 HydrophobicContact CB-CB 4.46Å; V299-H310 PolarHBondContact N-O 3.39Å; V299-H310 PolarHBondContact O-N 3.42Å
300A97.6Very high94.8Very high0 Ų026.9 Ų26.90%013%0.128CC..EExtended strand (participates in β ladder)trans-88128.8177.900000110V199 G200 I209 L294 L307 S308 I309V199-A300 CarbonylContact C-O 3.34Å; V199-A300 WeakPolarHBondContact CA-O 3.31Å; G200-A300 PolarHBondContact N-O 3.04Å; G200-A300 PolarHBondContact O-N 2.76Å; I209-A300 HydrophobicContact CD1-CB 3.56Å; L294-A300 HydrophobicContact CD1-CB 3.96Å; L294-A300 HydrophobicContact CD2-CB 3.96Å; A300-L307 HydrophobicContact CB-CD1 4.15Å; A300-S308 CarbonylContact C-O 3.41Å; A300-S308 WeakPolarHBondContact CA-O 3.25Å; A300-I309 HydrophobicContact CB-CG1 4.3Å
301A97.9Very high94.6Very high0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-128.9131-179.600000111T171 A198 V199 V303 L307 S308T171-A301 VanDerWaalsContact OG1-CB 3.23Å; T171-A301 WeakPolarHBondContact OG1-CB 3.37Å; A198-A301 WeakPolarHBondContact O-CA 3.27Å; V199-A301 HydrophobicContact CG2-CB 4.28Å; A301-V303 HydrophobicContact CB-CG2 4.39Å; A301-L307 WeakPolarHBondContact O-CA 3.47Å; A301-S308 PolarHBondContact N-O 3.28Å; A301-S308 PolarHBondContact O-N 3.37Å; A301-S308 PolarHBondContact O-OG 3.06Å
302V97.9Very high94Very high0 Ų026 Ų260%013%0.128CC..EExtended strand (participates in β ladder)trans-100.5111.2168.8-178.50000107.9L8 Q197 A198 Y275 F277 R306 L307L8-V302 HydrophobicContact CD1-CB 3.93Å; L8-V302 HydrophobicContact CD1-CG1 3.72Å; L8-V302 HydrophobicContact CD1-CG2 4.49Å; L8-V302 HydrophobicContact CD2-CG1 4.44Å; Q197-V302 VanDerWaalsContact CA-O 3.32Å; Q197-V302 WeakPolarHBondContact CA-O 3.39Å; Q197-V302 WeakPolarHBondContact CB-O 3.37Å; A198-V302 HydrophobicContact CB-CB 4.46Å; A198-V302 PolarHBondContact N-O 3.42Å; A198-V302 PolarHBondContact O-N 3.46Å; Y275-V302 HydrophobicContact CD1-CG2 4.49Å; Y275-V302 HydrophobicContact CD2-CG1 3.91Å; Y275-V302 HydrophobicContact CD2-CG2 4.13Å; Y275-V302 HydrophobicContact CE2-CG1 3.83Å; Y275-V302 HydrophobicContact CE2-CG2 4.37Å; Y275-V302 HydrophobicContact CG-CG2 4.17Å; F277-V302 HydrophobicContact CE2-CG2 4.2Å; F277-V302 HydrophobicContact CZ-CG2 3.87Å; V302-R306 WeakPolarHBondContact CA-O 3.46Å; V302-L307 HydrophobicContact CG2-CB 4.28Å; V302-L307 HydrophobicContact CG2-CD1 3.81Å
303V96.9Very high93.2Very high47 Ų4733.8 Ų33.829%0.28516%0.162SC..EExtended strand (participates in β ladder)trans-129.2129.3178.8-177.10000107.6Q197 A301 G305 R306Q197-V303 HydrophobicContact CG-CG2 4.46Å; A301-V303 HydrophobicContact CB-CG2 4.39Å; V303-G305 PolarHBondContact O-N 2.71Å; V303-R306 PolarHBondContact N-O 3.14Å; V303-R306 WeakPolarHBondContact O-CB 3.48Å; V303-R306 PolarHBondContact O-N 3.44Å
304D94.8Very high92.3Very high109 Ų10940.3 Ų40.358%0.58319%0.185SC*.THydrogen-bonded Turntrans51.438.6-175.9-54.9-36.5000113.4Y10 R306Y10-D304 VanDerWaalsContact OH-C 3.3Å; Y10-D304 WeakPolarHBondContact OH-CA 3.34Å; Y10-D304 PolarHBondContact OH-O 2.99Å; D304-R306 WeakPolarHBondContact O-CG 3.45Å; D304-R306 PolarHBondContact O-N 2.83Å
305G93.3Very high91.2Very high2 Ų244.5 Ų44.52%0.02121%0.211CC..THydrogen-bonded Turntrans7013.3-177.500000114.6Y10 Y275 V303Y10-G305 VanDerWaalsContact CD1-CA 3.44Å; Y275-G305 PolarHBondContact OH-O 2.81Å; V303-G305 PolarHBondContact O-N 2.71Å
306R96.6Very high89.6Confident104 Ų10447.7 Ų47.739%0.39224%0.243SC..EExtended strand (participates in β ladder)trans-113126-179.9-47.8-171.6178.3-160.7-4.8110.5C264 F266 V302 V303 D304C264-R306 HydrophobicContact CB-CB 4.01Å; F266-R306 HydrophobicContact CB-CB 4.17Å; F266-R306 HydrophobicContact CB-CG 3.83Å; F266-R306 HydrophobicContact CD1-CG 4.48Å; F266-R306 HydrophobicContact CG-CG 4.19Å; V302-R306 WeakPolarHBondContact CA-O 3.46Å; V303-R306 PolarHBondContact N-O 3.14Å; V303-R306 WeakPolarHBondContact O-CB 3.48Å; V303-R306 PolarHBondContact O-N 3.44Å; D304-R306 WeakPolarHBondContact O-CG 3.45Å; D304-R306 PolarHBondContact O-N 2.83Å
307L97.3Very high88.2Confident0 Ų049 Ų490%027%0.268CS..EExtended strand (participates in β ladder)trans-89.4124.2176.6175.466.7000110.8I209 I222 C264 L265 Y275 I292 A300 A301 V302I209-L307 HydrophobicContact CD1-CD1 3.78Å; I209-L307 HydrophobicContact CD1-CD2 4.16Å; I209-L307 HydrophobicContact CG2-CD2 4.14Å; I222-L307 HydrophobicContact CD1-CD2 3.84Å; I222-L307 HydrophobicContact CD1-CG 4.21Å; C264-L307 CarbonylContact C-O 3.59Å; C264-L307 VanDerWaalsContact CA-O 3.26Å; C264-L307 WeakPolarHBondContact CA-O 3.35Å; C264-L307 WeakPolarHBondContact CB-O 3.44Å; L265-L307 HydrophobicContact CB-CB 4.23Å; L265-L307 HydrophobicContact CD2-CD2 4.23Å; L265-L307 PolarHBondContact N-O 3.31Å; L265-L307 PolarHBondContact O-N 2.77Å; Y275-L307 HydrophobicContact CD1-CD2 4.46Å; Y275-L307 HydrophobicContact CE1-CB 3.76Å; Y275-L307 HydrophobicContact CE1-CD2 4.15Å; I292-L307 HydrophobicContact CD1-CD2 4.08Å; A300-L307 HydrophobicContact CB-CD1 4.15Å; A301-L307 WeakPolarHBondContact O-CA 3.47Å; V302-L307 HydrophobicContact CG2-CB 4.28Å; V302-L307 HydrophobicContact CG2-CD1 3.81Å
308S96.3Very high87.1Confident5 Ų547.9 Ų47.94%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-126.9153.8173.760.50000110.8A300 A301 H310A300-S308 CarbonylContact C-O 3.41Å; A300-S308 WeakPolarHBondContact CA-O 3.25Å; A301-S308 PolarHBondContact N-O 3.28Å; A301-S308 PolarHBondContact O-N 3.37Å; A301-S308 PolarHBondContact O-OG 3.06Å; S308-H310 PolarHBondContact OG-NE2 3.46Å
309I95.4Very high85.7Confident0 Ų053.3 Ų53.30%029%0.287CS..EExtended strand (participates in β ladder)trans-125.2126.9-179.1-58.4179.1000109.5I222 V224 L225 I292 L294 D298 A300 R322I222-I309 HydrophobicContact CB-CD1 4.31Å; I222-I309 HydrophobicContact CD1-CD1 4.23Å; I222-I309 HydrophobicContact CG2-CB 4.47Å; I222-I309 HydrophobicContact CG2-CD1 4.2Å; I222-I309 HydrophobicContact CG2-CG1 4.12Å; V224-I309 HydrophobicContact CG2-CG2 4.35Å; L225-I309 PolarHBondContact N-O 3.28Å; I292-I309 HydrophobicContact CG2-CD1 4.13Å; L294-I309 HydrophobicContact CD2-CD1 4.11Å; D298-I309 HydrophobicContact CB-CG2 4.08Å; A300-I309 HydrophobicContact CB-CG1 4.3Å; I309-R322 HydrophobicContact CD1-CB 3.82Å; I309-R322 HydrophobicContact CD1-CG 3.56Å
310H92.9Very high84.8Confident27 Ų2757.5 Ų57.513%0.12532%0.315CS..EExtended strand (participates in β ladder)trans-119.6149.5-175.9-54.9-99.6000110.8T171 L225 V299 S308T171-H310 HydrophobicContact CG2-CB 4.1Å; L225-H310 CarbonylContact O-C 3.56Å; L225-H310 WeakPolarHBondContact O-CA 3.42Å; V299-H310 HydrophobicContact CB-CB 4.46Å; V299-H310 PolarHBondContact N-O 3.39Å; V299-H310 PolarHBondContact O-N 3.42Å; S308-H310 PolarHBondContact OG-NE2 3.46Å
311R89.7Confident84.3Confident11 Ų1157.7 Ų57.74%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-136.6145169.2-82.3-167.7170.8179.3-5.9110.8V224 L225 Y226 E295 D296 D298 D318V224-R311 HydrophobicContact CG1-CB 3.81Å; V224-R311 HydrophobicContact CG1-CG 3.72Å; L225-R311 PolarHBondContact O-N 2.94Å; Y226-R311 WeakPolarHBondContact CA-O 3.42Å; Y226-R311 HydrophobicContact CD1-CB 4.02Å; Y226-R311 HydrophobicContact CE1-CB 3.85Å; E295-R311 IonicContact OE2-CZ 3.85Å; E295-R311 IonicContact OE2-NH1 2.74Å; E295-R311 IonicContact OE2-NH2 3.85Å; E295-R311 PolarHBondContact OE2-NH2 3.17Å; D296-R311 PolarHBondContact O-NE 3.36Å; D296-R311 PolarHBondContact O-NH2 3.42Å; D298-R311 IonicContact OD1-CZ 3.95Å; D298-R311 VanDerWaalsContact OD1-CZ 3.3Å; D298-R311 IonicContact OD1-NE 3.24Å; D298-R311 PolarHBondContact OD1-NE 3.25Å; D298-R311 IonicContact OD1-NH2 3.9Å; D298-R311 PolarHBondContact OD1-NH2 3.16Å; R311-D318 IonicContact CZ-OD1 3.4Å; R311-D318 IonicContact NH1-OD1 2.71Å; R311-D318 PolarHBondContact NH1-OD1 3.01Å; R311-D318 IonicContact NH1-OD2 3.65Å; R311-D318 PolarHBondContact NH1-OD2 2.91Å
312I82.4Confident84Confident44 Ų4458 Ų5823%0.22632%0.318CS..SBendtrans-75.4-42.1179.7-60.2155.3000111.2E175 I178 Q179E175-I312 HydrophobicContact CB-CD1 4.28Å; E175-I312 HydrophobicContact CB-CG1 4.3Å; E175-I312 HydrophobicContact CG-CD1 4.42Å; E175-I312 HydrophobicContact CG-CG1 4.09Å; I178-I312 HydrophobicContact CD1-CD1 4.25Å; I178-I312 HydrophobicContact CG1-CD1 4.33Å; Q179-I312 HydrophobicContact CG-CD1 3.69Å; Q179-I312 VanDerWaalsContact NE2-CD1 3.34Å
313K78.3Confident83.7Confident164 Ų16460.1 Ų60.171%0.71334%0.335SS*.  trans-129.7148.9-176.7-65.7-178.8-177.1172.60110.1
314R74.9Confident83.5Confident188 Ų18858.3 Ų58.371%0.70932%0.324SS*.PPolyproline II helixtrans-94.5122.5168.5-171.3174.6-178.5-179.41108.9Y226Y226-R314 HydrophobicContact CD1-CB 3.98Å; Y226-R314 HydrophobicContact CE1-CB 3.56Å; Y226-R314 HydrophobicContact CE1-CG 4.01Å
315T70.3Confident83.4Confident88 Ų8857.4 Ų57.454%0.5432%0.316SS..PPolyproline II helixtrans-103.6150.4175.3-48.70000109.6G317 D318T315-G317 PolarHBondContact O-N 3.43Å; T315-D318 WeakPolarHBondContact CA-OD2 3.41Å; T315-D318 WeakPolarHBondContact CB-OD2 3.36Å; T315-D318 PolarHBondContact N-OD2 3.49Å; T315-D318 WeakPolarHBondContact O-CB 3.33Å; T315-D318 PolarHBondContact O-N 2.83Å
316A56.4Low83.3Confident104 Ų10461 Ų6186%0.8634%0.338SS*.THydrogen-bonded Turntrans-64.5123.4174.700000109.6
317G60.6Low82.8Confident75 Ų7557.4 Ų57.477%0.77333%0.326SS*.THydrogen-bonded Turntrans103.7-8.9-175.700000114.9T315 H319T315-G317 PolarHBondContact O-N 3.43Å; G317-H319 PolarHBondContact O-N 3.33Å
318D68.1Low82.1Confident38 Ų3867 Ų6720%0.20337%0.371CS..  trans-67.7130.4178.1-73.9-21.4000112.5R311 T315R311-D318 IonicContact CZ-OD1 3.4Å; R311-D318 IonicContact NH1-OD1 2.71Å; R311-D318 PolarHBondContact NH1-OD1 3.01Å; R311-D318 IonicContact NH1-OD2 3.65Å; R311-D318 PolarHBondContact NH1-OD2 2.91Å; T315-D318 WeakPolarHBondContact CA-OD2 3.41Å; T315-D318 WeakPolarHBondContact CB-OD2 3.36Å; T315-D318 PolarHBondContact N-OD2 3.49Å; T315-D318 WeakPolarHBondContact O-CB 3.33Å; T315-D318 PolarHBondContact O-N 2.83Å
319H65.3Low81.4Confident114 Ų11468.3 Ų68.353%0.52838%0.377SS..  trans-65.3134.2171.6-67.399.8000110.3E295 G317 G321 R322E295-H319 IonicContact OE1-ND1 2.87Å; E295-H319 PolarHBondContact OE1-ND1 2.84Å; G317-H319 PolarHBondContact O-N 3.33Å; H319-G321 PolarHBondContact O-N 3.17Å; H319-G321 VanDerWaalsContact O-N 3.14Å; H319-R322 PolarHBondContact O-NH1 3.14Å; H319-R322 VanDerWaalsContact O-NH1 3.14Å
320P77.8Confident80.8Confident88 Ų8874.7 Ų74.757%0.57141%0.407SS*.SBendtrans-70.5-9.4-176.129.6-35.9000113.8V224V224-P320 PolarHBondContact N-O 3.42Å
321G86.8Confident80.3Confident4 Ų476.7 Ų76.74%0.04142%0.418CS..EExtended strand (participates in β ladder)trans-154.4176.5178.500000112.1H221 I222 H319H221-G321 WeakPolarHBondContact CE1-CA 3.36Å; I222-G321 CarbonylContact O-C 3.58Å; I222-G321 WeakPolarHBondContact O-CA 2.68Å; H319-G321 PolarHBondContact O-N 3.17Å; H319-G321 VanDerWaalsContact O-N 3.14Å
322R91.5Very high80Confident7 Ų782.3 Ų82.33%0.02645%0.445CS..EExtended strand (participates in β ladder)trans-114.3129.5170-59.5-63.8170.8-990.2110.2H221 I222 I292 E295 D298 I309 H319H221-R322 WeakPolarHBondContact CA-O 3.21Å; H221-R322 PolarHBondContact CE1-N 3.3Å; H221-R322 PolarHBondContact ND1-O 3.01Å; I222-R322 PolarHBondContact N-O 2.91Å; I222-R322 PolarHBondContact O-N 3.14Å; I292-R322 HydrophobicContact CG2-CB 3.61Å; I292-R322 HydrophobicContact CG2-CG 4.37Å; E295-R322 VanDerWaalsContact CD-CZ 3.44Å; E295-R322 IonicContact OE2-CZ 3.49Å; E295-R322 IonicContact OE2-NE 2.68Å; E295-R322 IonicContact OE2-NH1 3.75Å; E295-R322 PolarHBondContact OE2-NH1 3.1Å; E295-R322 IonicContact OE2-NH2 3.06Å; E295-R322 PolarHBondContact OE2-NH2 3.44Å; D298-R322 IonicContact OD1-CZ 3.13Å; D298-R322 IonicContact OD1-NE 2.72Å; D298-R322 IonicContact OD1-NH2 2.6Å; D298-R322 PolarHBondContact OD1-NH2 2.78Å; D298-R322 IonicContact OD2-CZ 2.56Å; D298-R322 IonicContact OD2-NE 3.77Å; D298-R322 PolarHBondContact OD2-NE 3.25Å; D298-R322 IonicContact OD2-NH2 3.92Å; D298-R322 PolarHBondContact OD2-NH2 3.17Å; I309-R322 HydrophobicContact CD1-CB 3.82Å; I309-R322 HydrophobicContact CD1-CG 3.56Å; H319-R322 PolarHBondContact O-NH1 3.14Å; H319-R322 VanDerWaalsContact O-NH1 3.14Å
323A91.8Very high80.1Confident44 Ų4483.1 Ų83.136%0.36445%0.448SS..EExtended strand (participates in β ladder)trans-81.9140.9179.300000110.4Q325A323-Q325 HydrophobicContact CB-CG 4.21Å; A323-Q325 PolarHBondContact O-N 3.16Å
324V93.5Very high80.4Confident9 Ų975.6 Ų75.66%0.05542%0.415CS..EExtended strand (participates in β ladder)trans-83.1101.5166.9-172.80000107.4V211 D220 L265 R290 I292V211-V324 HydrophobicContact CG1-CG1 4.48Å; D220-V324 WeakPolarHBondContact O-CB 3.49Å; D220-V324 WeakPolarHBondContact O-CG2 3.22Å; D220-V324 PolarHBondContact O-N 2.98Å; L265-V324 HydrophobicContact CD1-CG2 4.45Å; L265-V324 HydrophobicContact CD2-CG2 4.34Å; R290-V324 HydrophobicContact CB-CG1 4.18Å; R290-V324 PolarHBondContact NH1-O 3.5Å; I292-V324 HydrophobicContact CD1-CG2 4.26Å; I292-V324 HydrophobicContact CG1-CB 4.48Å; I292-V324 HydrophobicContact CG1-CG2 3.9Å
325Q91.4Very high81Confident89 Ų8970 Ų7042%0.41640%0.398SS..EExtended strand (participates in β ladder)trans-93150.3-175.1-62.4180-1.900110.9R290 V291 A323R290-Q325 WeakPolarHBondContact CA-O 3.48Å; V291-Q325 PolarHBondContact N-O 3.2Å; V291-Q325 PolarHBondContact O-N 2.75Å; A323-Q325 HydrophobicContact CB-CG 4.21Å; A323-Q325 PolarHBondContact O-N 3.16Å
326T91.8Very high81.9Confident78 Ų7869 Ų6948%0.47939%0.386SS..EExtended strand (participates in β ladder)trans-98.7119.1171.1-56.30000109N289 R290N289-T326 HydrophobicContact CB-CG2 4.46Å; N289-T326 CarbonylContact O-C 3.39Å; N289-T326 WeakPolarHBondContact O-CA 3.26Å; R290-T326 PolarHBondContact NH1-OG1 2.62Å
327L87.1Confident83.5Confident28 Ų2866.2 Ų66.215%0.14737%0.368CS..PPolyproline II helixtrans-69.1132.1177.7-66.7176.4000111.2A281 I285 N289 V291 F293 M329A281-L327 HydrophobicContact CB-CD1 3.77Å; I285-L327 HydrophobicContact CD1-CB 4.05Å; I285-L327 HydrophobicContact CD1-CD1 4.06Å; N289-L327 HydrophobicContact CB-CB 4.39Å; N289-L327 PolarHBondContact O-N 2.96Å; V291-L327 HydrophobicContact CB-CD1 4.5Å; V291-L327 HydrophobicContact CG1-CD1 3.64Å; V291-L327 HydrophobicContact CG1-CG 4.11Å; V291-L327 HydrophobicContact CG2-CD1 4.02Å; V291-L327 HydrophobicContact CG2-CD2 3.72Å; V291-L327 HydrophobicContact CG2-CG 3.67Å; F293-L327 HydrophobicContact CE2-CD2 4.12Å; F293-L327 HydrophobicContact CZ-CD2 3.99Å; L327-M329 HydrophobicContact CB-CB 4.37Å; L327-M329 PolarHBondContact O-N 3.22Å
328Q82.6Confident85Confident202 Ų20271 Ų7194%0.94438%0.375SS*.  trans-89.348.1169-62.4-174.7-6.100110.7
329M80.1Confident86.3Confident33 Ų3372.5 Ų72.516%0.16338%0.38CS..  trans-123.8137.3-178.6-175.9175.3171.700108.1A281 I285 L327 I334 P486A281-M329 HydrophobicContact CB-SD 4.27Å; I285-M329 HydrophobicContact CD1-CB 4.25Å; I285-M329 VanDerWaalsContact CD1-O 3.29Å; I285-M329 WeakPolarHBondContact CD1-O 3.15Å; I285-M329 HydrophobicContact CG1-CB 4.21Å; I285-M329 HydrophobicContact CG1-CG 4.21Å; I285-M329 WeakPolarHBondContact CG1-O 3.31Å; I285-M329 HydrophobicContact CG2-CE 4.37Å; L327-M329 HydrophobicContact CB-CB 4.37Å; L327-M329 PolarHBondContact O-N 3.22Å; M329-I334 HydrophobicContact CE-CB 4.42Å; M329-I334 HydrophobicContact CE-CD1 4.38Å; M329-I334 HydrophobicContact CE-CG2 3.15Å; M329-P486 HydrophobicContact CE-CB 4.06Å; M329-P486 HydrophobicContact CE-CG 3.56Å; M329-P486 HydrophobicContact CG-CG 3.96Å; M329-P486 HydrophobicContact SD-CG 4.05Å
330E83.2Confident87.6Confident134 Ų13471 Ų7163%0.62638%0.383SS*.  trans-111.4145.2178.6-66-179.2175.400110.2Q332 Q333E330-Q332 PolarHBondContact O-N 2.86Å; E330-Q333 HydrophobicContact CB-CG 4.23Å; E330-Q333 WeakPolarHBondContact O-CB 3.47Å; E330-Q333 PolarHBondContact O-N 2.91Å
331L82.3Confident88.5Confident68 Ų6867.1 Ų67.136%0.35636%0.357SS..G310 helixtrans-54.8-37.2178.3-178.957.2000112I285 E286 Q333 I334 M335I285-L331 HydrophobicContact CG2-CD1 4.49Å; E286-L331 HydrophobicContact CB-CD1 3.83Å; E286-L331 HydrophobicContact CB-CD2 4.16Å; L331-Q333 PolarHBondContact O-N 2.9Å; L331-Q333 VanDerWaalsContact O-N 3.17Å; L331-I334 HydrophobicContact CD1-CD1 3.91Å; L331-I334 HydrophobicContact CD1-CG1 3.98Å; L331-I334 WeakPolarHBondContact O-CG1 3.46Å; L331-I334 PolarHBondContact O-N 3.35Å; L331-I334 VanDerWaalsContact O-N 3.13Å; L331-M335 HydrophobicContact CD1-CG 4.48Å; L331-M335 HydrophobicContact CG-CG 4.33Å; L331-M335 WeakPolarHBondContact O-CG 3.41Å; L331-M335 PolarHBondContact O-N 3.02Å
332Q83.4Confident88.9Confident129 Ų12968.5 Ų68.560%0.60336%0.362SS*.G310 helixtrans-60.3-28.1-179.9-161.8685.100112.9E330 I334 M335E330-Q332 PolarHBondContact O-N 2.86Å; Q332-I334 VanDerWaalsContact C-N 3.28Å; Q332-I334 PolarHBondContact O-N 2.8Å; Q332-M335 PolarHBondContact O-N 3.34Å
333Q84.1Confident89.1Confident61 Ų6168.1 Ų68.129%0.28536%0.361SS..G310 helixtrans-69.5-26.5-179.1-63.2176.1-3900112.7E330 L331 K345 P486E330-Q333 HydrophobicContact CB-CG 4.23Å; E330-Q333 WeakPolarHBondContact O-CB 3.47Å; E330-Q333 PolarHBondContact O-N 2.91Å; L331-Q333 PolarHBondContact O-N 2.9Å; L331-Q333 VanDerWaalsContact O-N 3.17Å; Q333-K345 PolarHBondContact O-NZ 3.28Å; Q333-K345 VanDerWaalsContact O-NZ 3.17Å; Q333-P486 HydrophobicContact CB-CG 4.03Å
334I86Confident89.4Confident6 Ų667.8 Ų67.83%0.03135%0.352CS..G310 helixtrans-103.611177.661.1167.3000113.5S282 I285 M329 L331 Q332 F342 P486 V488S282-I334 VanDerWaalsContact O-CD1 3.27Å; S282-I334 WeakPolarHBondContact O-CD1 3.49Å; I285-I334 HydrophobicContact CG2-CD1 3.57Å; I285-I334 HydrophobicContact CG2-CG1 4.45Å; M329-I334 HydrophobicContact CE-CB 4.42Å; M329-I334 HydrophobicContact CE-CD1 4.38Å; M329-I334 HydrophobicContact CE-CG2 3.15Å; L331-I334 HydrophobicContact CD1-CD1 3.91Å; L331-I334 HydrophobicContact CD1-CG1 3.98Å; L331-I334 WeakPolarHBondContact O-CG1 3.46Å; L331-I334 PolarHBondContact O-N 3.35Å; L331-I334 VanDerWaalsContact O-N 3.13Å; Q332-I334 VanDerWaalsContact C-N 3.28Å; Q332-I334 PolarHBondContact O-N 2.8Å; I334-F342 VanDerWaalsContact O-CE1 3.24Å; I334-F342 WeakPolarHBondContact O-CE1 3.24Å; I334-F342 VanDerWaalsContact O-CZ 3.3Å; I334-F342 WeakPolarHBondContact O-CZ 3.33Å; I334-P486 HydrophobicContact CG2-CB 3.77Å; I334-P486 HydrophobicContact CG2-CG 4.08Å; I334-V488 HydrophobicContact CB-CG2 4.45Å; I334-V488 HydrophobicContact CG2-CG2 4.34Å
335M87.9Confident89.6Confident70 Ų7067.7 Ų67.735%0.34535%0.351SS..SBendtrans-102150.9173.7-70.2-67.6-67.900110R29 L331 Q332 G337 K345R29-M335 PolarHBondContact NH1-SD 2.97Å; L331-M335 HydrophobicContact CD1-CG 4.48Å; L331-M335 HydrophobicContact CG-CG 4.33Å; L331-M335 WeakPolarHBondContact O-CG 3.41Å; L331-M335 PolarHBondContact O-N 3.02Å; Q332-M335 PolarHBondContact O-N 3.34Å; M335-G337 VanDerWaalsContact C-N 3.27Å; M335-G337 PolarHBondContact O-N 3.12Å; M335-K345 WeakPolarHBondContact O-CD 3.49Å; M335-K345 WeakPolarHBondContact O-CE 3.36Å
336K88.1Confident89.9Confident69 Ų6963.5 Ų63.530%0.333%0.331SS..  trans-70.4-23.8175.3-65.1-175.4174.7-164.50113N338 F339 S340 F342 D687K336-N338 PolarHBondContact O-N 2.91Å; K336-F339 WeakPolarHBondContact O-CB 3.28Å; K336-F339 WeakPolarHBondContact O-CD2 3.2Å; K336-F339 PolarHBondContact O-N 3.45Å; K336-F339 VanDerWaalsContact O-N 3.16Å; K336-S340 PolarHBondContact NZ-O 3.29Å; K336-F342 HydrophobicContact CD-CD2 4.39Å; K336-F342 HydrophobicContact CD-CE2 4.29Å; K336-F342 VanDerWaalsContact CE-CD2 3.44Å; K336-F342 VanDerWaalsContact CE-CE2 3.47Å; K336-F342 HydrophobicContact CG-CD1 4.01Å; K336-F342 HydrophobicContact CG-CD2 4.02Å; K336-F342 HydrophobicContact CG-CE1 3.8Å; K336-F342 HydrophobicContact CG-CE2 3.82Å; K336-F342 HydrophobicContact CG-CG 4.11Å; K336-F342 HydrophobicContact CG-CZ 3.71Å; K336-D687 VanDerWaalsContact CE-OD2 3.26Å; K336-D687 WeakPolarHBondContact CE-OD2 3.35Å; K336-D687 IonicContact NZ-OD2 2.7Å; K336-D687 PolarHBondContact NZ-OD2 2.85Å
337G90.4Very high90.2Very high45 Ų4559.8 Ų59.846%0.46431%0.308SS..THydrogen-bonded Turntrans59.3-128.7-174.700000110.9M335 F339M335-G337 VanDerWaalsContact C-N 3.27Å; M335-G337 PolarHBondContact O-N 3.12Å; G337-F339 VanDerWaalsContact C-N 3.28Å; G337-F339 PolarHBondContact O-N 3.23Å
338N92.1Very high90.8Very high174 Ų17461 Ų6193%0.9331%0.312SS*.THydrogen-bonded Turntrans-853.9-179.9-63.2-20.9000113.7K336K336-N338 PolarHBondContact O-N 2.91Å
339F95.2Very high91.5Very high70 Ų7053.7 Ų53.731%0.30728%0.278SS..SBendtrans-94.1153.5-179.7-61.8-80.5000111.9K336 G337 Q344 K345 F348K336-F339 WeakPolarHBondContact O-CB 3.28Å; K336-F339 WeakPolarHBondContact O-CD2 3.2Å; K336-F339 PolarHBondContact O-N 3.45Å; K336-F339 VanDerWaalsContact O-N 3.16Å; G337-F339 VanDerWaalsContact C-N 3.28Å; G337-F339 PolarHBondContact O-N 3.23Å; F339-Q344 HydrophobicContact CD1-CG 3.87Å; F339-K345 HydrophobicContact CB-CB 3.91Å; F339-K345 HydrophobicContact CD2-CB 3.5Å; F339-K345 HydrophobicContact CD2-CD 4.36Å; F339-K345 HydrophobicContact CD2-CG 3.71Å; F339-K345 HydrophobicContact CE2-CB 4.16Å; F339-K345 HydrophobicContact CE2-CG 4.05Å; F339-K345 HydrophobicContact CG-CB 3.78Å; F339-K345 HydrophobicContact CG-CG 4.48Å; F339-F348 HydrophobicContact CE1-CB 3.72Å; F339-F348 HydrophobicContact CE1-CD1 4.46Å; F339-F348 HydrophobicContact CE1-CD2 4.36Å; F339-F348 AromaticContact CE1-CG 3.94Å; F339-F348 HydrophobicContact CE1-CG 3.94Å; F339-F348 HydrophobicContact CZ-CB 3.74Å; F339-F348 HydrophobicContact CZ-CG 4.41Å
340S93.3Very high92.4Very high84 Ų8452.1 Ų52.159%0.58727%0.271SS*.SBendtrans-75.1-28.9179.263.20000113.2K336 Q344K336-S340 PolarHBondContact NZ-O 3.29Å; S340-Q344 VanDerWaalsContact N-OE1 3.15Å; S340-Q344 PolarHBondContact OG-OE1 3.03Å
341S95.1Very high93.1Very high5 Ų545.9 Ų45.94%0.03524%0.242CC..SBendtrans-143.2158.8-175.558.20000111.4Q344 K345 F676 V686 D687S341-Q344 WeakPolarHBondContact OG-CB 3.46Å; S341-Q344 PolarHBondContact OG-N 3.36Å; S341-K345 PolarHBondContact O-N 3.3Å; S341-K345 VanDerWaalsContact O-N 3.14Å; S341-F676 WeakPolarHBondContact OG-CE2 3.43Å; S341-V686 VanDerWaalsContact CB-CG2 3.41Å; S341-V686 WeakPolarHBondContact OG-CG2 3.46Å; S341-D687 VanDerWaalsContact CA-OD2 3.31Å; S341-D687 WeakPolarHBondContact CA-OD2 3.45Å; S341-D687 WeakPolarHBondContact CB-OD2 3.47Å
342F95.3Very high93.8Very high33 Ų3347.3 Ų47.315%0.14525%0.246CC..Hα-helixtrans-67-42.2173.8-73.5-71.7000111.3I334 K336 Q344 K345 E346 V488 D687I334-F342 VanDerWaalsContact O-CE1 3.24Å; I334-F342 WeakPolarHBondContact O-CE1 3.24Å; I334-F342 VanDerWaalsContact O-CZ 3.3Å; I334-F342 WeakPolarHBondContact O-CZ 3.33Å; K336-F342 HydrophobicContact CD-CD2 4.39Å; K336-F342 HydrophobicContact CD-CE2 4.29Å; K336-F342 VanDerWaalsContact CE-CD2 3.44Å; K336-F342 VanDerWaalsContact CE-CE2 3.47Å; K336-F342 HydrophobicContact CG-CD1 4.01Å; K336-F342 HydrophobicContact CG-CD2 4.02Å; K336-F342 HydrophobicContact CG-CE1 3.8Å; K336-F342 HydrophobicContact CG-CE2 3.82Å; K336-F342 HydrophobicContact CG-CG 4.11Å; K336-F342 HydrophobicContact CG-CZ 3.71Å; F342-Q344 VanDerWaalsContact C-N 3.29Å; F342-Q344 PolarHBondContact O-N 2.9Å; F342-K345 WeakPolarHBondContact O-CB 3.31Å; F342-K345 PolarHBondContact O-N 3.41Å; F342-E346 WeakPolarHBondContact O-CB 3.3Å; F342-E346 WeakPolarHBondContact O-CG 3.35Å; F342-E346 PolarHBondContact O-N 3.49Å; F342-V488 HydrophobicContact CB-CB 4.14Å; F342-V488 HydrophobicContact CB-CG1 4.42Å; F342-V488 HydrophobicContact CD1-CB 3.71Å; F342-V488 HydrophobicContact CD1-CG1 4.02Å; F342-V488 HydrophobicContact CD1-CG2 4.07Å; F342-V488 HydrophobicContact CD2-CB 4.09Å; F342-V488 HydrophobicContact CD2-CG1 3.56Å; F342-V488 HydrophobicContact CE1-CB 4.06Å; F342-V488 HydrophobicContact CE1-CG1 4.11Å; F342-V488 HydrophobicContact CE1-CG2 4.04Å; F342-V488 HydrophobicContact CE2-CB 4.41Å; F342-V488 HydrophobicContact CE2-CG1 3.65Å; F342-V488 HydrophobicContact CG-CB 3.72Å; F342-V488 HydrophobicContact CG-CG1 3.74Å; F342-V488 HydrophobicContact CZ-CB 4.4Å; F342-V488 HydrophobicContact CZ-CG1 3.93Å; F342-D687 WeakPolarHBondContact CA-OD1 3.49Å; F342-D687 WeakPolarHBondContact CB-OD1 3.32Å; F342-D687 VanDerWaalsContact N-CG 3.32Å; F342-D687 PolarHBondContact N-OD1 3.19Å; F342-D687 PolarHBondContact N-OD2 3.44Å
343M96.8Very high94.5Very high0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-56.6-44.3176.8-177.2172.2179.800111.7E346 I347 A491 T493 I580 V686 D687M343-E346 PolarHBondContact O-N 2.67Å; M343-I347 HydrophobicContact CE-CD1 3.89Å; M343-I347 HydrophobicContact CG-CD1 3.96Å; M343-I347 WeakPolarHBondContact O-CD1 3.33Å; M343-I347 VanDerWaalsContact O-CG1 3.24Å; M343-I347 WeakPolarHBondContact O-CG1 3.2Å; M343-I347 PolarHBondContact O-N 3.36Å; M343-A491 HydrophobicContact SD-CB 4.35Å; M343-T493 HydrophobicContact CE-CG2 4.16Å; M343-T493 HydrophobicContact CG-CG2 4.4Å; M343-I580 HydrophobicContact CE-CD1 3.33Å; M343-I580 HydrophobicContact SD-CD1 3.41Å; M343-I580 WeakPolarHBondContact SD-CD1 3.23Å; M343-I580 HydrophobicContact SD-CG2 4.29Å; M343-V686 HydrophobicContact CB-CB 4.43Å; M343-V686 HydrophobicContact CB-CG2 4.29Å; M343-V686 HydrophobicContact SD-CB 4.3Å; M343-D687 PolarHBondContact N-OD1 3.39Å
344Q97.9Very high95.2Very high36 Ų3638.4 Ų38.417%0.16821%0.205CC..Hα-helixtrans-61.8-50.8175.8-172-176.130.600111.4F339 S340 S341 F342 E346 I347 F348 F676F339-Q344 HydrophobicContact CD1-CG 3.87Å; S340-Q344 VanDerWaalsContact N-OE1 3.15Å; S340-Q344 PolarHBondContact OG-OE1 3.03Å; S341-Q344 WeakPolarHBondContact OG-CB 3.46Å; S341-Q344 PolarHBondContact OG-N 3.36Å; F342-Q344 VanDerWaalsContact C-N 3.29Å; F342-Q344 PolarHBondContact O-N 2.9Å; Q344-E346 VanDerWaalsContact C-N 3.29Å; Q344-E346 PolarHBondContact O-N 3.09Å; Q344-I347 PolarHBondContact O-N 3.3Å; Q344-F348 HydrophobicContact CG-CD2 4.08Å; Q344-F348 HydrophobicContact CG-CE2 4.14Å; Q344-F348 VanDerWaalsContact O-CD2 3.27Å; Q344-F348 WeakPolarHBondContact O-CD2 3.46Å; Q344-F348 PolarHBondContact O-N 3.27Å; Q344-F348 VanDerWaalsContact O-N 3.08Å; Q344-F676 HydrophobicContact CB-CD2 4.37Å; Q344-F676 HydrophobicContact CB-CE2 3.81Å; Q344-F676 HydrophobicContact CB-CZ 3.92Å; Q344-F676 HydrophobicContact CG-CE1 4.29Å; Q344-F676 HydrophobicContact CG-CE2 4.38Å; Q344-F676 HydrophobicContact CG-CZ 3.99Å
345K97.4Very high95.8Very high8 Ų840.8 Ų40.84%0.03522%0.22CC..Hα-helixtrans-51.8-50.4176.3173.4177.3179.1-75.70111.2Q333 M335 F339 S341 F342 I347 F348 E349Q333-K345 PolarHBondContact O-NZ 3.28Å; Q333-K345 VanDerWaalsContact O-NZ 3.17Å; M335-K345 WeakPolarHBondContact O-CD 3.49Å; M335-K345 WeakPolarHBondContact O-CE 3.36Å; F339-K345 HydrophobicContact CB-CB 3.91Å; F339-K345 HydrophobicContact CD2-CB 3.5Å; F339-K345 HydrophobicContact CD2-CD 4.36Å; F339-K345 HydrophobicContact CD2-CG 3.71Å; F339-K345 HydrophobicContact CE2-CB 4.16Å; F339-K345 HydrophobicContact CE2-CG 4.05Å; F339-K345 HydrophobicContact CG-CB 3.78Å; F339-K345 HydrophobicContact CG-CG 4.48Å; S341-K345 PolarHBondContact O-N 3.3Å; S341-K345 VanDerWaalsContact O-N 3.14Å; F342-K345 WeakPolarHBondContact O-CB 3.31Å; F342-K345 PolarHBondContact O-N 3.41Å; K345-I347 VanDerWaalsContact C-N 3.35Å; K345-I347 PolarHBondContact O-N 2.85Å; K345-F348 CarbonylContact O-C 3.52Å; K345-F348 PolarHBondContact O-N 3.24Å; K345-F348 VanDerWaalsContact O-N 3.16Å; K345-E349 WeakPolarHBondContact CE-OE1 3.24Å; K345-E349 HydrophobicContact CG-CG 4.09Å; K345-E349 IonicContact NZ-OE1 3.13Å; K345-E349 PolarHBondContact NZ-OE1 2.92Å; K345-E349 IonicContact NZ-OE2 3.31Å; K345-E349 PolarHBondContact NZ-OE2 2.84Å; K345-E349 WeakPolarHBondContact O-CB 3.41Å; K345-E349 VanDerWaalsContact O-CG 3.27Å; K345-E349 WeakPolarHBondContact O-CG 3.24Å; K345-E349 PolarHBondContact O-N 2.86Å
346E97.9Very high96.2Very high1 Ų139.6 Ų39.61%0.00522%0.215CC..Hα-helixtrans-68.8-32.1-173.8-68.6165.1-176.100112.9F342 M343 Q344 E487 V488 G489 T493 K494F342-E346 WeakPolarHBondContact O-CB 3.3Å; F342-E346 WeakPolarHBondContact O-CG 3.35Å; F342-E346 PolarHBondContact O-N 3.49Å; M343-E346 PolarHBondContact O-N 2.67Å; Q344-E346 VanDerWaalsContact C-N 3.29Å; Q344-E346 PolarHBondContact O-N 3.09Å; E346-E487 HydrophobicContact CG-CG 4.45Å; E346-E487 WeakPolarHBondContact OE2-CG 3.44Å; E346-V488 WeakPolarHBondContact OE1-CA 3.45Å; E346-V488 PolarHBondContact OE1-N 2.95Å; E346-G489 PolarHBondContact OE1-N 3.11Å; E346-G489 VanDerWaalsContact OE1-N 3.07Å; E346-G489 PolarHBondContact OE2-N 2.74Å; E346-T493 WeakPolarHBondContact CB-OG1 3.12Å; E346-K494 HydrophobicContact CB-CD 4.19Å; E346-K494 HydrophobicContact CB-CG 4.35Å; E346-K494 HydrophobicContact CG-CD 4.25Å
347I98.5Very high96.7Very high0 Ų036.3 Ų36.30%020%0.201CC..Hα-helixtrans-65.2-46.1170.6-67.9164.8000110.4M343 Q344 K345 E349 Q350 T493 L539 I669 Q672 L673 F676M343-I347 HydrophobicContact CE-CD1 3.89Å; M343-I347 HydrophobicContact CG-CD1 3.96Å; M343-I347 WeakPolarHBondContact O-CD1 3.33Å; M343-I347 VanDerWaalsContact O-CG1 3.24Å; M343-I347 WeakPolarHBondContact O-CG1 3.2Å; M343-I347 PolarHBondContact O-N 3.36Å; Q344-I347 PolarHBondContact O-N 3.3Å; K345-I347 VanDerWaalsContact C-N 3.35Å; K345-I347 PolarHBondContact O-N 2.85Å; I347-E349 VanDerWaalsContact C-N 3.35Å; I347-Q350 WeakPolarHBondContact O-CB 3.47Å; I347-Q350 WeakPolarHBondContact O-CG 3.24Å; I347-Q350 PolarHBondContact O-N 3.23Å; I347-Q350 PolarHBondContact O-NE2 3.49Å; I347-T493 HydrophobicContact CD1-CG2 4.3Å; I347-T493 HydrophobicContact CG1-CG2 3.68Å; I347-L539 HydrophobicContact CG2-CD2 3.83Å; I347-I669 HydrophobicContact CG2-CG2 4.43Å; I347-Q672 HydrophobicContact CD1-CB 3.93Å; I347-Q672 HydrophobicContact CG1-CB 4.12Å; I347-L673 HydrophobicContact CD1-CD2 4.46Å; I347-L673 HydrophobicContact CG2-CD2 3.59Å; I347-L673 HydrophobicContact CG2-CG 4.11Å; I347-F676 HydrophobicContact CD1-CB 4.38Å
348F98.4Very high97.1Very high52 Ų5234.6 Ų34.623%0.22818%0.181CC..Hα-helixtrans-76.6-19.4-176.2-81.6-101.5000113.6F339 Q344 K345 Q350 P351 L539 D542 L673F339-F348 HydrophobicContact CE1-CB 3.72Å; F339-F348 HydrophobicContact CE1-CD1 4.46Å; F339-F348 HydrophobicContact CE1-CD2 4.36Å; F339-F348 AromaticContact CE1-CG 3.94Å; F339-F348 HydrophobicContact CE1-CG 3.94Å; F339-F348 HydrophobicContact CZ-CB 3.74Å; F339-F348 HydrophobicContact CZ-CG 4.41Å; Q344-F348 HydrophobicContact CG-CD2 4.08Å; Q344-F348 HydrophobicContact CG-CE2 4.14Å; Q344-F348 VanDerWaalsContact O-CD2 3.27Å; Q344-F348 WeakPolarHBondContact O-CD2 3.46Å; Q344-F348 PolarHBondContact O-N 3.27Å; Q344-F348 VanDerWaalsContact O-N 3.08Å; K345-F348 CarbonylContact O-C 3.52Å; K345-F348 PolarHBondContact O-N 3.24Å; K345-F348 VanDerWaalsContact O-N 3.16Å; F348-Q350 VanDerWaalsContact C-N 3.29Å; F348-P351 VanDerWaalsContact O-CD 3.24Å; F348-P351 WeakPolarHBondContact O-CD 3.3Å; F348-L539 HydrophobicContact CD1-CB 4.37Å; F348-L539 HydrophobicContact CD1-CD1 4.31Å; F348-L539 HydrophobicContact CD1-CD2 4.3Å; F348-L539 HydrophobicContact CD2-CD2 4.44Å; F348-L539 HydrophobicContact CE1-CB 4.26Å; F348-L539 HydrophobicContact CE1-CD2 4.45Å; F348-L539 HydrophobicContact CG-CD2 4.31Å; F348-D542 HydrophobicContact CZ-CB 4.17Å; F348-L673 HydrophobicContact CD2-CD2 4.45Å; F348-L673 HydrophobicContact CE2-CD2 3.67Å; F348-L673 HydrophobicContact CZ-CD2 4.23Å
349E97.6Very high97.3Very high50 Ų5034.1 Ų34.123%0.23417%0.166CC..THydrogen-bonded Turntrans-83.64172.5-75.3-177.3157.600113.8K345 I347 P351 E352 S353 K494K345-E349 WeakPolarHBondContact CE-OE1 3.24Å; K345-E349 HydrophobicContact CG-CG 4.09Å; K345-E349 IonicContact NZ-OE1 3.13Å; K345-E349 PolarHBondContact NZ-OE1 2.92Å; K345-E349 IonicContact NZ-OE2 3.31Å; K345-E349 PolarHBondContact NZ-OE2 2.84Å; K345-E349 WeakPolarHBondContact O-CB 3.41Å; K345-E349 VanDerWaalsContact O-CG 3.27Å; K345-E349 WeakPolarHBondContact O-CG 3.24Å; K345-E349 PolarHBondContact O-N 2.86Å; I347-E349 VanDerWaalsContact C-N 3.35Å; E349-P351 VanDerWaalsContact C-CD 3.41Å; E349-E352 WeakPolarHBondContact CA-OE2 3.43Å; E349-E352 PolarHBondContact O-N 3.1Å; E349-S353 WeakPolarHBondContact O-CB 3.22Å; E349-S353 PolarHBondContact O-N 2.81Å; E349-S353 PolarHBondContact O-OG 3.02Å; E349-K494 IonicContact OE2-NZ 3.53Å; E349-K494 PolarHBondContact OE2-NZ 3.28Å
350Q98.6Very high97.4Very high0 Ų034.5 Ų34.50%019%0.19CC..Hα-helixtrans-59.8-36.4177.7-76-178.5101.900114.8I347 F348 E352 S353 V354 K494 T497 I535I347-Q350 WeakPolarHBondContact O-CB 3.47Å; I347-Q350 WeakPolarHBondContact O-CG 3.24Å; I347-Q350 PolarHBondContact O-N 3.23Å; I347-Q350 PolarHBondContact O-NE2 3.49Å; F348-Q350 VanDerWaalsContact C-N 3.29Å; Q350-E352 VanDerWaalsContact C-N 3.35Å; Q350-E352 PolarHBondContact O-N 3.39Å; Q350-S353 VanDerWaalsContact CA-OG 3.27Å; Q350-S353 WeakPolarHBondContact CA-OG 3.35Å; Q350-S353 PolarHBondContact O-OG 3.35Å; Q350-V354 VanDerWaalsContact O-CB 3.31Å; Q350-V354 WeakPolarHBondContact O-CB 3.2Å; Q350-V354 VanDerWaalsContact O-CG2 3.25Å; Q350-V354 WeakPolarHBondContact O-CG2 3.24Å; Q350-V354 PolarHBondContact O-N 3Å; Q350-K494 HydrophobicContact CG-CB 3.92Å; Q350-T497 PolarHBondContact OE1-OG1 3.04Å; Q350-I535 HydrophobicContact CB-CG2 3.98Å
351P98.6Very high97.6Very high3 Ų332.7 Ų32.72%0.01917%0.17CC..Hα-helixtrans-56.8-47.5172.4-23.133.3000112.3F348 E349 V355 P532 I535 K536 L539F348-P351 VanDerWaalsContact O-CD 3.24Å; F348-P351 WeakPolarHBondContact O-CD 3.3Å; E349-P351 VanDerWaalsContact C-CD 3.41Å; P351-V355 WeakPolarHBondContact O-CG2 3.3Å; P351-V355 PolarHBondContact O-N 2.92Å; P351-P532 HydrophobicContact CB-CB 4.42Å; P351-I535 HydrophobicContact CG-CB 4.25Å; P351-I535 HydrophobicContact CG-CG2 3.65Å; P351-K536 HydrophobicContact CB-CG 3.97Å; P351-K536 HydrophobicContact CG-CG 3.65Å; P351-L539 HydrophobicContact CG-CD1 3.92Å
352E97.7Very high97.7Very high97 Ų9733.2 Ų33.245%0.45317%0.173SC..Hα-helixtrans-72.7-42.2-177.4-6572.6-15600112E349 Q350 V355 N356E349-E352 WeakPolarHBondContact CA-OE2 3.43Å; E349-E352 PolarHBondContact O-N 3.1Å; Q350-E352 VanDerWaalsContact C-N 3.35Å; Q350-E352 PolarHBondContact O-N 3.39Å; E352-V355 WeakPolarHBondContact O-CB 3.04Å; E352-V355 PolarHBondContact O-N 3.03Å; E352-N356 WeakPolarHBondContact O-CB 3.43Å; E352-N356 VanDerWaalsContact O-CG 3.23Å; E352-N356 PolarHBondContact O-N 2.95Å; E352-N356 PolarHBondContact O-ND2 3.33Å
353S97.6Very high97.8Very high3 Ų334.6 Ų34.62%0.02118%0.182CC..Hα-helixtrans-67.4-35.1179.7530000112.6E349 Q350 N356 T357E349-S353 WeakPolarHBondContact O-CB 3.22Å; E349-S353 PolarHBondContact O-N 2.81Å; E349-S353 PolarHBondContact O-OG 3.02Å; Q350-S353 VanDerWaalsContact CA-OG 3.27Å; Q350-S353 WeakPolarHBondContact CA-OG 3.35Å; Q350-S353 PolarHBondContact O-OG 3.35Å; S353-N356 PolarHBondContact O-N 2.77Å; S353-T357 WeakPolarHBondContact O-CB 3.47Å; S353-T357 PolarHBondContact O-N 2.83Å; S353-T357 PolarHBondContact O-OG1 2.76Å
354V98.3Very high97.9Very high0 Ų036.8 Ų36.80%019%0.191CC..Hα-helixtrans-63.5-43.6170.61660000111Q350 N356 T357 M358 V501 L531 P532 I535Q350-V354 VanDerWaalsContact O-CB 3.31Å; Q350-V354 WeakPolarHBondContact O-CB 3.2Å; Q350-V354 VanDerWaalsContact O-CG2 3.25Å; Q350-V354 WeakPolarHBondContact O-CG2 3.24Å; Q350-V354 PolarHBondContact O-N 3Å; V354-N356 PolarHBondContact O-N 2.96Å; V354-T357 WeakPolarHBondContact O-CB 3.35Å; V354-T357 PolarHBondContact O-N 3.08Å; V354-M358 HydrophobicContact CG1-CE 3.83Å; V354-M358 WeakPolarHBondContact O-CG 3.37Å; V354-M358 PolarHBondContact O-N 3.21Å; V354-V501 HydrophobicContact CG1-CG2 4.23Å; V354-V501 HydrophobicContact CG2-CG2 4.43Å; V354-L531 HydrophobicContact CG1-CD2 3.92Å; V354-L531 HydrophobicContact CG1-CG 4.33Å; V354-P532 HydrophobicContact CG1-CG 4.39Å; V354-I535 HydrophobicContact CB-CD1 4.38Å; V354-I535 HydrophobicContact CG2-CD1 3.85Å
355V98.4Very high97.8Very high56 Ų5641.9 Ų41.934%0.33922%0.22SC..Hα-helixtrans-60.6-45.6173.81710000111.3P351 E352 T357 M358 R359 P532P351-V355 WeakPolarHBondContact O-CG2 3.3Å; P351-V355 PolarHBondContact O-N 2.92Å; E352-V355 WeakPolarHBondContact O-CB 3.04Å; E352-V355 PolarHBondContact O-N 3.03Å; V355-T357 VanDerWaalsContact C-N 3.25Å; V355-T357 PolarHBondContact O-N 3.46Å; V355-M358 PolarHBondContact O-N 3.13Å; V355-M358 VanDerWaalsContact O-N 3.08Å; V355-R359 PolarHBondContact O-N 3.25Å; V355-P532 HydrophobicContact CG2-CB 3.86Å; V355-P532 HydrophobicContact CG2-CG 3.46Å; V355-P532 VanDerWaalsContact CG2-CG 3.46Å
356N97.2Very high97.7Very high46 Ų4645.8 Ų45.825%0.24624%0.241CC..Hα-helixtrans-64.7-30.9179.1-70.1-25.3000112.8E352 S353 V354 M358 R359 N483E352-N356 WeakPolarHBondContact O-CB 3.43Å; E352-N356 VanDerWaalsContact O-CG 3.23Å; E352-N356 PolarHBondContact O-N 2.95Å; E352-N356 PolarHBondContact O-ND2 3.33Å; S353-N356 PolarHBondContact O-N 2.77Å; V354-N356 PolarHBondContact O-N 2.96Å; N356-M358 VanDerWaalsContact C-N 3.33Å; N356-R359 PolarHBondContact OD1-NE 3.35Å; N356-R359 PolarHBondContact OD1-NH2 2.74Å; N356-R359 VanDerWaalsContact OD1-NH2 3.09Å; N356-N483 WeakPolarHBondContact CB-O 3.3Å; N356-N483 PolarHBondContact O-ND2 3.46Å
357T98.3Very high97.7Very high0 Ų048.6 Ų48.60%025%0.252CS..Hα-helixtrans-65.5-35.8172.5-59.50000111.9S353 V354 V355 R361 I482 S498 V501 S502 M505S353-T357 WeakPolarHBondContact O-CB 3.47Å; S353-T357 PolarHBondContact O-N 2.83Å; S353-T357 PolarHBondContact O-OG1 2.76Å; V354-T357 WeakPolarHBondContact O-CB 3.35Å; V354-T357 PolarHBondContact O-N 3.08Å; V355-T357 VanDerWaalsContact C-N 3.25Å; V355-T357 PolarHBondContact O-N 3.46Å; T357-R361 WeakPolarHBondContact O-CD 3.48Å; T357-R361 PolarHBondContact O-NH1 3.22Å; T357-I482 VanDerWaalsContact CA-O 3.27Å; T357-I482 WeakPolarHBondContact CA-O 3.43Å; T357-I482 WeakPolarHBondContact CB-O 3.44Å; T357-I482 WeakPolarHBondContact CG2-O 3.22Å; T357-I482 PolarHBondContact OG1-O 3.25Å; T357-S498 VanDerWaalsContact OG1-CB 3.26Å; T357-S498 WeakPolarHBondContact OG1-CB 3.4Å; T357-S498 PolarHBondContact OG1-OG 3.34Å; T357-V501 HydrophobicContact CG2-CB 4.12Å; T357-V501 HydrophobicContact CG2-CG1 3.91Å; T357-S502 WeakPolarHBondContact CG2-OG 3.2Å; T357-M505 HydrophobicContact CG2-CE 3.85Å; T357-M505 WeakPolarHBondContact O-CE 3.33Å
358M98.4Very high97.6Very high9 Ų951.8 Ų51.84%0.04427%0.272CS..Hα-helixtrans-88.9-17.5-179.9-62.8-177.9-63.100113.8V354 V355 N356 G360 R361 V362 F364 V501 M505 L528 P532V354-M358 HydrophobicContact CG1-CE 3.83Å; V354-M358 WeakPolarHBondContact O-CG 3.37Å; V354-M358 PolarHBondContact O-N 3.21Å; V355-M358 PolarHBondContact O-N 3.13Å; V355-M358 VanDerWaalsContact O-N 3.08Å; N356-M358 VanDerWaalsContact C-N 3.33Å; M358-G360 PolarHBondContact O-N 2.9Å; M358-R361 WeakPolarHBondContact O-CB 3.34Å; M358-R361 PolarHBondContact O-N 3.45Å; M358-V362 HydrophobicContact CB-CB 4.39Å; M358-V362 HydrophobicContact CB-CG2 4Å; M358-V362 HydrophobicContact CG-CG2 4.15Å; M358-V362 PolarHBondContact O-N 3.08Å; M358-F364 HydrophobicContact CE-CZ 4.3Å; M358-F364 HydrophobicContact SD-CZ 3.99Å; M358-V501 HydrophobicContact CG-CG1 3.76Å; M358-V501 HydrophobicContact SD-CG1 4.3Å; M358-M505 HydrophobicContact CG-SD 4.27Å; M358-L528 HydrophobicContact SD-CB 3.82Å; M358-L528 HydrophobicContact SD-CD2 4.12Å; M358-L528 HydrophobicContact SD-CG 4.39Å; M358-P532 HydrophobicContact CE-CG 4.25Å
359R97.1Very high97.6Very high163 Ų16349.9 Ų49.962%0.61526%0.264SS*.THydrogen-bonded Turntrans-55.6123.7-173.3-172-177.7-64.3-107.62.4111.5V355 N356 R361V355-R359 PolarHBondContact O-N 3.25Å; N356-R359 PolarHBondContact OD1-NE 3.35Å; N356-R359 PolarHBondContact OD1-NH2 2.74Å; N356-R359 VanDerWaalsContact OD1-NH2 3.09Å; R359-R361 PolarHBondContact O-N 2.74Å
360G95.9Very high97.6Very high79 Ų7951.4 Ų51.481%0.81427%0.274SS*.THydrogen-bonded Turntrans70.46-179.200000114.9M358M358-G360 PolarHBondContact O-N 2.9Å
361R97.9Very high97.5Very high46 Ų4651.5 Ų51.517%0.17428%0.275CS..THydrogen-bonded Turntrans-118-30.1-178.2-63.3158.1-173.3179.3-1.3113T357 M358 R359 V369 N370 L371 H481 M505T357-R361 WeakPolarHBondContact O-CD 3.48Å; T357-R361 PolarHBondContact O-NH1 3.22Å; M358-R361 WeakPolarHBondContact O-CB 3.34Å; M358-R361 PolarHBondContact O-N 3.45Å; R359-R361 PolarHBondContact O-N 2.74Å; R361-V369 CarbonylContact O-C 3.53Å; R361-V369 VanDerWaalsContact O-CA 3.27Å; R361-V369 WeakPolarHBondContact O-CA 3.17Å; R361-N370 WeakPolarHBondContact CA-O 3.21Å; R361-N370 PolarHBondContact O-N 2.76Å; R361-L371 HydrophobicContact CB-CD2 4.19Å; R361-L371 HydrophobicContact CG-CD2 4.07Å; R361-H481 VanDerWaalsContact CZ-O 3.26Å; R361-H481 PolarHBondContact NH1-O 3.3Å; R361-H481 PolarHBondContact NH2-O 2.98Å; R361-M505 HydrophobicContact CB-SD 3.97Å
362V98.1Very high97.3Very high16 Ų1653.7 Ų53.710%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-114.4122.5175-172.50000108.6M358 F364 V369 M505M358-V362 HydrophobicContact CB-CB 4.39Å; M358-V362 HydrophobicContact CB-CG2 4Å; M358-V362 HydrophobicContact CG-CG2 4.15Å; M358-V362 PolarHBondContact O-N 3.08Å; V362-F364 HydrophobicContact CB-CE1 4.34Å; V362-F364 HydrophobicContact CB-CE2 4.39Å; V362-F364 HydrophobicContact CB-CZ 4.09Å; V362-F364 HydrophobicContact CG1-CD1 3.8Å; V362-F364 HydrophobicContact CG1-CE1 3.42Å; V362-F364 VanDerWaalsContact CG1-CE1 3.42Å; V362-F364 HydrophobicContact CG1-CE2 4.23Å; V362-F364 HydrophobicContact CG1-CG 4.36Å; V362-F364 HydrophobicContact CG1-CZ 3.67Å; V362-V369 HydrophobicContact CG1-CG2 4.39Å; V362-V369 HydrophobicContact CG2-CG2 4.39Å; V362-M505 HydrophobicContact CG2-CG 3.96Å; V362-M505 HydrophobicContact CG2-SD 3.49Å; V362-M505 WeakPolarHBondContact CG2-SD 3.34Å
363N97.9Very high97.2Very high61 Ų6151.4 Ų51.433%0.32630%0.3SS..EExtended strand (participates in β ladder)trans-100113.4169.7-175.9-5.1000108.9D365 D366 Y367 T368N363-D365 VanDerWaalsContact C-N 3.33Å; N363-D365 WeakPolarHBondContact OD1-CB 3.32Å; N363-D365 PolarHBondContact OD1-N 3.35Å; N363-D366 WeakPolarHBondContact CB-OD1 3.34Å; N363-D366 PolarHBondContact ND2-OD1 2.8Å; N363-D366 PolarHBondContact ND2-OD2 2.86Å; N363-Y367 WeakPolarHBondContact O-CA 3.37Å; N363-Y367 PolarHBondContact O-N 3.04Å; N363-T368 WeakPolarHBondContact CB-OG1 3.14Å; N363-T368 PolarHBondContact N-O 3.48Å; N363-T368 PolarHBondContact O-N 2.71Å
364F97.2Very high97.1Very high46 Ų4651.2 Ų51.220%0.20230%0.299CS..THydrogen-bonded Turntrans-85.2-3.8-177.6-64.5-65.7000114M358 V362 M525 L528 K529M358-F364 HydrophobicContact CE-CZ 4.3Å; M358-F364 HydrophobicContact SD-CZ 3.99Å; V362-F364 HydrophobicContact CB-CE1 4.34Å; V362-F364 HydrophobicContact CB-CE2 4.39Å; V362-F364 HydrophobicContact CB-CZ 4.09Å; V362-F364 HydrophobicContact CG1-CD1 3.8Å; V362-F364 HydrophobicContact CG1-CE1 3.42Å; V362-F364 VanDerWaalsContact CG1-CE1 3.42Å; V362-F364 HydrophobicContact CG1-CE2 4.23Å; V362-F364 HydrophobicContact CG1-CG 4.36Å; V362-F364 HydrophobicContact CG1-CZ 3.67Å; F364-M525 WeakPolarHBondContact CE1-O 3.39Å; F364-L528 HydrophobicContact CE1-CB 4.2Å; F364-L528 HydrophobicContact CZ-CB 4.46Å; F364-K529 HydrophobicContact CB-CD 4.03Å; F364-K529 HydrophobicContact CB-CG 4.5Å; F364-K529 HydrophobicContact CD1-CB 3.66Å; F364-K529 HydrophobicContact CD1-CD 4.15Å; F364-K529 HydrophobicContact CD1-CG 3.98Å; F364-K529 HydrophobicContact CD2-CG 4.4Å; F364-K529 HydrophobicContact CE1-CB 3.6Å; F364-K529 HydrophobicContact CE1-CG 4.26Å; F364-K529 HydrophobicContact CG-CB 4.24Å; F364-K529 HydrophobicContact CG-CD 4.1Å; F364-K529 HydrophobicContact CG-CG 4.05Å; F364-K529 HydrophobicContact CZ-CB 4.15Å
365D96.6Very high96.8Very high144 Ų14457.8 Ų57.877%0.7733%0.327SS*.THydrogen-bonded Turntrans-86.8-43.8178.3-65.1-24000111.1N363N363-D365 VanDerWaalsContact C-N 3.33Å; N363-D365 WeakPolarHBondContact OD1-CB 3.32Å; N363-D365 PolarHBondContact OD1-N 3.35Å
366D96.1Very high96.7Very high90 Ų9061.8 Ų61.848%0.48135%0.347SS..THydrogen-bonded Turntrans-107.1-0.8178.36512.4000113.9N363 T368N363-D366 WeakPolarHBondContact CB-OD1 3.34Å; N363-D366 PolarHBondContact ND2-OD1 2.8Å; N363-D366 PolarHBondContact ND2-OD2 2.86Å; D366-T368 HydrophobicContact CB-CG2 4.45Å; D366-T368 WeakPolarHBondContact OD1-CB 3.44Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.44Å; D366-T368 PolarHBondContact OD1-N 3.22Å; D366-T368 VanDerWaalsContact OD1-N 3.12Å; D366-T368 PolarHBondContact OD1-OG1 2.82Å
367Y96.8Very high96.7Very high60 Ų6061.9 Ų61.924%0.23535%0.346CS..THydrogen-bonded Turntrans58.946.6-180-61.6-87.9000112.8N363 K522 M525 L526N363-Y367 WeakPolarHBondContact O-CA 3.37Å; N363-Y367 PolarHBondContact O-N 3.04Å; Y367-K522 HydrophobicContact CD1-CG 4.11Å; Y367-K522 HydrophobicContact CE1-CG 4.17Å; Y367-K522 HydrophobicContact CG-CG 4.41Å; Y367-M525 HydrophobicContact CD1-CB 3.91Å; Y367-M525 HydrophobicContact CD1-CE 4.35Å; Y367-M525 HydrophobicContact CD1-SD 4.39Å; Y367-M525 HydrophobicContact CG-CE 4.48Å; Y367-M525 WeakPolarHBondContact O-CE 3.43Å; Y367-L526 HydrophobicContact CE1-CD2 3.79Å; Y367-L526 HydrophobicContact CE1-CG 3.88Å; Y367-L526 WeakPolarHBondContact OH-CD2 3.46Å
368T97.6Very high96.5Very high66 Ų6662.9 Ų62.941%0.40535%0.351SS..EExtended strand (participates in β ladder)trans-107.3149.3174.260.60000112.3N363 D366N363-T368 WeakPolarHBondContact CB-OG1 3.14Å; N363-T368 PolarHBondContact N-O 3.48Å; N363-T368 PolarHBondContact O-N 2.71Å; D366-T368 HydrophobicContact CB-CG2 4.45Å; D366-T368 WeakPolarHBondContact OD1-CB 3.44Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.44Å; D366-T368 PolarHBondContact OD1-N 3.22Å; D366-T368 VanDerWaalsContact OD1-N 3.12Å; D366-T368 PolarHBondContact OD1-OG1 2.82Å
369V98Very high96.3Very high12 Ų1269.8 Ų69.87%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-126130.8175.8-177.10000109.1R361 V362 M505 L508 M509 M525R361-V369 CarbonylContact O-C 3.53Å; R361-V369 VanDerWaalsContact O-CA 3.27Å; R361-V369 WeakPolarHBondContact O-CA 3.17Å; V362-V369 HydrophobicContact CG1-CG2 4.39Å; V362-V369 HydrophobicContact CG2-CG2 4.39Å; V369-M505 HydrophobicContact CG1-CB 3.86Å; V369-M505 HydrophobicContact CG1-CG 4.18Å; V369-L508 HydrophobicContact CB-CB 4.41Å; V369-L508 HydrophobicContact CG2-CB 4.01Å; V369-L508 HydrophobicContact CG2-CD1 3.99Å; V369-M509 HydrophobicContact CB-CG 4.14Å; V369-M509 HydrophobicContact CG1-CG 3.85Å; V369-M509 HydrophobicContact CG1-SD 4.46Å; V369-M509 WeakPolarHBondContact O-CG 3.26Å; V369-M525 HydrophobicContact CG2-CG 4.38Å; V369-M525 HydrophobicContact CG2-SD 3.86Å
370N97.3Very high96.3Very high82 Ų8267.2 Ų67.244%0.43938%0.376SS..  trans-141.2113.6178.4178.537.5000111R361R361-N370 WeakPolarHBondContact CA-O 3.21Å; R361-N370 PolarHBondContact O-N 2.76Å
371L97.2Very high96.3Very high3 Ų363.5 Ų63.52%0.01634%0.337CS..  trans-95.896.1172.2-62.2171.4000108.4R361 G373 L374 K375 V480 M505 F506 M509R361-L371 HydrophobicContact CB-CD2 4.19Å; R361-L371 HydrophobicContact CG-CD2 4.07Å; L371-G373 PolarHBondContact O-N 3.16Å; L371-G373 VanDerWaalsContact O-N 3.08Å; L371-L374 HydrophobicContact CB-CB 4.39Å; L371-L374 HydrophobicContact CB-CD1 4.13Å; L371-L374 HydrophobicContact CB-CG 4.18Å; L371-L374 HydrophobicContact CD1-CD1 3.85Å; L371-L374 PolarHBondContact O-N 3.08Å; L371-K375 PolarHBondContact O-N 3.11Å; L371-V480 HydrophobicContact CB-CG2 4.34Å; L371-V480 HydrophobicContact CD1-CG2 4.11Å; L371-V480 HydrophobicContact CD2-CG1 4.18Å; L371-M505 HydrophobicContact CD1-CB 4.18Å; L371-M505 HydrophobicContact CD2-CB 4.16Å; L371-M505 HydrophobicContact CD2-CE 3.91Å; L371-M505 HydrophobicContact CD2-SD 4.26Å; L371-M505 HydrophobicContact CG-CB 4.42Å; L371-F506 HydrophobicContact CD1-CB 4.02Å; L371-M509 HydrophobicContact CB-CE 4.35Å; L371-M509 HydrophobicContact CB-SD 3.47Å; L371-M509 WeakPolarHBondContact CB-SD 3.48Å; L371-M509 HydrophobicContact CD1-SD 3.7Å; L371-M509 HydrophobicContact CG-SD 3.43Å; L371-M509 WeakPolarHBondContact CG-SD 3.22Å; L371-M509 PolarHBondContact N-SD 2.91Å
372G94.5Very high96.2Very high49 Ų4965.2 Ų65.251%0.50535%0.347SS..G310 helixtrans-52.9-34.6-173.700000114.6L374 K375G372-L374 PolarHBondContact O-N 3.29Å; G372-K375 WeakPolarHBondContact O-CB 3.39Å; G372-K375 PolarHBondContact O-N 2.69Å
373G94.4Very high96.1Very high48 Ų4874.5 Ų74.550%0.49538%0.38SS..G310 helixtrans-69.8-12.7177.100000115.1L371 C478 G479L371-G373 PolarHBondContact O-N 3.16Å; L371-G373 VanDerWaalsContact O-N 3.08Å; G373-C478 WeakPolarHBondContact O-CB 3.18Å; G373-G479 CarbonylContact C-O 3.59Å; G373-G479 WeakPolarHBondContact CA-O 3.47Å
374L96.1Very high96.1Very high0 Ų072.3 Ų72.30%037%0.37CS..G310 helixtrans-106.9-5.3176-54.8-176.4000112.8L371 G372 D376 H377 I378 V462 C478 V480 F506L371-L374 HydrophobicContact CB-CB 4.39Å; L371-L374 HydrophobicContact CB-CD1 4.13Å; L371-L374 HydrophobicContact CB-CG 4.18Å; L371-L374 HydrophobicContact CD1-CD1 3.85Å; L371-L374 PolarHBondContact O-N 3.08Å; G372-L374 PolarHBondContact O-N 3.29Å; L374-D376 VanDerWaalsContact C-N 3.26Å; L374-D376 PolarHBondContact O-N 3.42Å; L374-D376 VanDerWaalsContact O-N 3.16Å; L374-H377 CarbonylContact O-C 3.57Å; L374-H377 PolarHBondContact O-N 2.86Å; L374-I378 WeakPolarHBondContact O-CB 3.34Å; L374-I378 PolarHBondContact O-N 2.95Å; L374-V462 HydrophobicContact CD2-CG1 3.73Å; L374-C478 HydrophobicContact CD2-CB 4.07Å; L374-V480 HydrophobicContact CD1-CG2 3.88Å; L374-V480 HydrophobicContact CD2-CG2 4.13Å; L374-V480 HydrophobicContact CG-CG2 3.84Å; L374-F506 HydrophobicContact CD1-CD2 3.71Å; L374-F506 HydrophobicContact CD1-CE2 4.37Å
375K92.8Very high96.1Very high138 Ų13877.8 Ų77.860%0.639%0.389SS*.THydrogen-bonded Turntrans-52.4-43-171.1-179.3-176.8174.4-173.40113.1L371 G372 H377L371-K375 PolarHBondContact O-N 3.11Å; G372-K375 WeakPolarHBondContact O-CB 3.39Å; G372-K375 PolarHBondContact O-N 2.69Å; K375-H377 VanDerWaalsContact C-N 3.31Å
376D95.1Very high96.2Very high139 Ų13973 Ų7374%0.74336%0.36SS*.THydrogen-bonded Turntrans-80.6-13.7-176.1-59.3-34.8000113.1L374L374-D376 VanDerWaalsContact C-N 3.26Å; L374-D376 PolarHBondContact O-N 3.42Å; L374-D376 VanDerWaalsContact O-N 3.16Å
377H96.9Very high96.3Very high49 Ų4968.7 Ų68.723%0.22734%0.337CS..THydrogen-bonded Turntrans-116.6-13.6-173.4-63.286.6000113.7L374 K375 K379 E380 I381 C478L374-H377 CarbonylContact O-C 3.57Å; L374-H377 PolarHBondContact O-N 2.86Å; K375-H377 VanDerWaalsContact C-N 3.31Å; H377-K379 VanDerWaalsContact C-N 3.27Å; H377-K379 PolarHBondContact O-N 3.47Å; H377-E380 WeakPolarHBondContact O-CB 3.37Å; H377-E380 PolarHBondContact O-N 3.47Å; H377-I381 HydrophobicContact CB-CD1 4.36Å; H377-I381 WeakPolarHBondContact O-CG1 3.3Å; H377-I381 PolarHBondContact O-N 2.86Å; H377-C478 HydrophobicContact CB-CB 4.19Å
378I95.6Very high96.4Very high21 Ų2165.9 Ų65.911%0.10833%0.326CS..Hα-helixtrans-57.8-37.8-174.2-169.962.1000112.9L374 E380 I381 Q382 F506 M509 M510L374-I378 WeakPolarHBondContact O-CB 3.34Å; L374-I378 PolarHBondContact O-N 2.95Å; I378-E380 VanDerWaalsContact C-N 3.3Å; I378-E380 PolarHBondContact O-N 2.8Å; I378-I381 PolarHBondContact O-N 2.9Å; I378-Q382 VanDerWaalsContact O-CG 3.29Å; I378-Q382 WeakPolarHBondContact O-CG 3.41Å; I378-Q382 PolarHBondContact O-N 2.71Å; I378-F506 HydrophobicContact CD1-CE2 4.17Å; I378-M509 HydrophobicContact CD1-CB 4.44Å; I378-M509 HydrophobicContact CD1-CE 4.43Å; I378-M509 HydrophobicContact CG1-CE 4.23Å; I378-M510 HydrophobicContact CD1-SD 3.7Å
379K94.5Very high96.5Very high153 Ų15362.8 Ų62.867%0.66531%0.307SS*.Hα-helixtrans-68.6-29177.9-67.6-175.1178.5-179.60113H377 R383H377-K379 VanDerWaalsContact C-N 3.27Å; H377-K379 PolarHBondContact O-N 3.47Å; K379-R383 WeakPolarHBondContact O-CG 3.5Å
380E95.9Very high96.5Very high110 Ų11062.2 Ų62.251%0.51430%0.304SS..Hα-helixtrans-76.8-44.8174.9-172.1171-16300110.1H377 I378 Q382 R383 C384 L460H377-E380 WeakPolarHBondContact O-CB 3.37Å; H377-E380 PolarHBondContact O-N 3.47Å; I378-E380 VanDerWaalsContact C-N 3.3Å; I378-E380 PolarHBondContact O-N 2.8Å; E380-Q382 VanDerWaalsContact C-N 3.27Å; E380-Q382 PolarHBondContact O-N 2.8Å; E380-R383 WeakPolarHBondContact O-CB 3.38Å; E380-R383 PolarHBondContact O-N 2.96Å; E380-C384 PolarHBondContact O-N 3.43Å; E380-L460 HydrophobicContact CB-CD1 4.05Å; E380-L460 HydrophobicContact CG-CD1 3.74Å
381I96.8Very high96.6Very high0 Ų058.4 Ų58.40%028%0.283CS..Hα-helixtrans-54.9-42.4173.8-67.1169.4000111.3H377 I378 R383 C384 V434 L460 V462 F506 M510H377-I381 HydrophobicContact CB-CD1 4.36Å; H377-I381 WeakPolarHBondContact O-CG1 3.3Å; H377-I381 PolarHBondContact O-N 2.86Å; I378-I381 PolarHBondContact O-N 2.9Å; I381-R383 PolarHBondContact O-N 3.08Å; I381-C384 WeakPolarHBondContact O-CB 3.32Å; I381-C384 PolarHBondContact O-N 3.22Å; I381-C384 VanDerWaalsContact O-N 3.16Å; I381-V434 HydrophobicContact CB-CG2 4.38Å; I381-V434 HydrophobicContact CG1-CG1 4.33Å; I381-V434 HydrophobicContact CG1-CG2 4.29Å; I381-V434 HydrophobicContact CG2-CG1 4.38Å; I381-V434 HydrophobicContact CG2-CG2 4.12Å; I381-L460 HydrophobicContact CD1-CD2 4.07Å; I381-L460 HydrophobicContact CG1-CD1 3.94Å; I381-L460 HydrophobicContact CG1-CD2 3.72Å; I381-V462 HydrophobicContact CD1-CG2 4.12Å; I381-F506 HydrophobicContact CG2-CE2 3.93Å; I381-F506 HydrophobicContact CG2-CZ 3.81Å; I381-M510 HydrophobicContact CG2-CE 4.05Å; I381-M510 HydrophobicContact CG2-SD 3.77Å
382Q95.1Very high96.6Very high83 Ų8360 Ų6039%0.38829%0.294SS..THydrogen-bonded Turntrans-63.6-18.2176.8-76171.6-24.500114.3I378 E380 M510I378-Q382 VanDerWaalsContact O-CG 3.29Å; I378-Q382 WeakPolarHBondContact O-CG 3.41Å; I378-Q382 PolarHBondContact O-N 2.71Å; E380-Q382 VanDerWaalsContact C-N 3.27Å; E380-Q382 PolarHBondContact O-N 2.8Å; Q382-M510 HydrophobicContact CB-CE 4.47Å; Q382-M510 HydrophobicContact CG-CE 3.88Å; Q382-M510 HydrophobicContact CG-SD 3.74Å
383R96.2Very high96.7Very high211 Ų21159.2 Ų59.280%0.79629%0.287SS*.THydrogen-bonded Turntrans-91.9-13.9177.3-65.6169.8-179.1-176.3-0.9113K379 E380 I381K379-R383 WeakPolarHBondContact O-CG 3.5Å; E380-R383 WeakPolarHBondContact O-CB 3.38Å; E380-R383 PolarHBondContact O-N 2.96Å; I381-R383 PolarHBondContact O-N 3.08Å
384C97.2Very high96.9Very high15 Ų1557.5 Ų57.510%0.10127%0.266CS..  trans-72.1162.8177.9-68.40000111.4E380 I381 D432 V434E380-C384 PolarHBondContact O-N 3.43Å; I381-C384 WeakPolarHBondContact O-CB 3.32Å; I381-C384 PolarHBondContact O-N 3.22Å; I381-C384 VanDerWaalsContact O-N 3.16Å; C384-D432 WeakPolarHBondContact CA-O 3.34Å; C384-D432 WeakPolarHBondContact CB-O 3.45Å; C384-V434 HydrophobicContact CB-CG2 3.4Å; C384-V434 WeakPolarHBondContact SG-CG2 3.41Å
385R97.4Very high97Very high161 Ų16158.1 Ų58.161%0.60827%0.271SS*.SBendtrans-110.4-8.5-169.168.5-179.9-74.6178.7-3.5114.9P413 D432R385-P413 VanDerWaalsContact O-CD 3.28Å; R385-P413 WeakPolarHBondContact O-CD 3.45Å; R385-D432 WeakPolarHBondContact CD-OD2 3.39Å; R385-D432 HydrophobicContact CG-CB 4.16Å; R385-D432 PolarHBondContact N-O 3.46Å; R385-D432 IonicContact NH1-OD2 3.25Å
386R98.6Very high97.3Very high42 Ų4254 Ų5416%0.15825%0.252CS..EExtended strand (participates in β ladder)trans-159.8141.3-174.2176.3168.768.7157.710.7110.5I388 P413 P428 D433 V434R386-I388 HydrophobicContact CG-CG1 4.2Å; R386-P413 HydrophobicContact CG-CB 4.35Å; R386-P428 PolarHBondContact NH2-O 3Å; R386-D433 WeakPolarHBondContact CB-OD1 3.47Å; R386-D433 IonicContact CZ-OD1 3.28Å; R386-D433 IonicContact CZ-OD2 3.3Å; R386-D433 IonicContact NE-OD1 3.84Å; R386-D433 PolarHBondContact NE-OD1 2.94Å; R386-D433 IonicContact NE-OD2 3.04Å; R386-D433 IonicContact NH2-OD1 3.03Å; R386-D433 PolarHBondContact NH2-OD1 2.96Å; R386-D433 IonicContact NH2-OD2 3.97Å; R386-D433 PolarHBondContact NH2-OD2 3.11Å; R386-V434 PolarHBondContact O-N 3.16Å
387L98.8Very high97.5Very high1 Ų148.4 Ų48.41%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-105.4134.5172.2-52.9-174.9000109.4T410 L412 P413 V414 M415 V434 F436 F506L387-T410 HydrophobicContact CD1-CG2 4.1Å; L387-L412 HydrophobicContact CD2-CD1 3.92Å; L387-L412 HydrophobicContact CG-CB 4.34Å; L387-L412 HydrophobicContact CG-CD1 4.04Å; L387-P413 PolarHBondContact N-O 3.03Å; L387-V414 HydrophobicContact CB-CG1 4.39Å; L387-V414 HydrophobicContact CB-CG2 4.27Å; L387-V414 HydrophobicContact CD1-CG2 4.18Å; L387-V414 WeakPolarHBondContact O-CA 3.24Å; L387-M415 PolarHBondContact O-N 2.95Å; L387-V434 WeakPolarHBondContact CA-O 3.27Å; L387-V434 HydrophobicContact CD2-CB 3.78Å; L387-V434 HydrophobicContact CD2-CG1 4.34Å; L387-V434 HydrophobicContact CD2-CG2 4.31Å; L387-F436 HydrophobicContact CD2-CE2 4.19Å; L387-F506 HydrophobicContact CD1-CE1 4.03Å
388I98.9Very high97.6Very high0 Ų046 Ų460%021%0.21CC..EExtended strand (participates in β ladder)trans-124.5114.9175.2-48.5179.4000108.1R386 I390 M415 E417 F422 D433 V434 C435 F436R386-I388 HydrophobicContact CG-CG1 4.2Å; I388-I390 HydrophobicContact CG2-CD1 4.1Å; I388-I390 HydrophobicContact CG2-CG1 3.85Å; I388-M415 CarbonylContact C-O 3.58Å; I388-M415 WeakPolarHBondContact CA-O 3.37Å; I388-M415 HydrophobicContact CG1-CB 4.5Å; I388-M415 HydrophobicContact CG2-CB 4.4Å; I388-E417 HydrophobicContact CG2-CG 4.33Å; I388-F422 HydrophobicContact CG2-CE2 4.35Å; I388-D433 HydrophobicContact CD1-CB 4.18Å; I388-V434 PolarHBondContact N-O 3.05Å; I388-C435 CarbonylContact O-C 3.55Å; I388-C435 WeakPolarHBondContact O-CA 3.41Å; I388-F436 PolarHBondContact O-N 3.2Å
389L98.9Very high97.7Very high2 Ų245 Ų451%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-96.9118.6175.6-61.6112.9000109.6L406 V414 M415 V416 E417 F436 L438 L503L389-L406 HydrophobicContact CD1-CD1 4.03Å; L389-L406 HydrophobicContact CD2-CD1 4.18Å; L389-V414 HydrophobicContact CD1-CG1 3.23Å; L389-M415 PolarHBondContact N-O 3.14Å; L389-V416 HydrophobicContact CB-CG1 4.27Å; L389-V416 HydrophobicContact CB-CG2 4.47Å; L389-V416 HydrophobicContact CD1-CG2 3.94Å; L389-V416 CarbonylContact O-C 3.51Å; L389-V416 WeakPolarHBondContact O-CA 3.38Å; L389-E417 PolarHBondContact O-N 2.94Å; L389-F436 HydrophobicContact CD2-CB 4.1Å; L389-F436 HydrophobicContact CD2-CG 4.49Å; L389-F436 HydrophobicContact CG-CB 4.1Å; L389-L438 HydrophobicContact CD2-CD1 4.01Å; L389-L438 HydrophobicContact CD2-CD2 4.35Å; L389-L438 HydrophobicContact CD2-CG 4.49Å; L389-L503 HydrophobicContact CD2-CD1 3.99Å; L389-L503 HydrophobicContact CD2-CD2 3.9Å
390I98.9Very high97.9Very high0 Ų039 Ų390%018%0.181CC..EExtended strand (participates in β ladder)trans-118.5121.3-174.5-58.2166.2000108.5I388 A419 F422 C435 F436 F437 L438I388-I390 HydrophobicContact CG2-CD1 4.1Å; I388-I390 HydrophobicContact CG2-CG1 3.85Å; I390-A419 HydrophobicContact CG2-CB 3.64Å; I390-F422 HydrophobicContact CD1-CD1 4.31Å; I390-F422 HydrophobicContact CD1-CD2 4.33Å; I390-F422 HydrophobicContact CD1-CE1 3.88Å; I390-F422 HydrophobicContact CD1-CE2 3.9Å; I390-F422 HydrophobicContact CD1-CZ 3.65Å; I390-F422 HydrophobicContact CG1-CD2 4.44Å; I390-F422 HydrophobicContact CG1-CE2 4.4Å; I390-C435 HydrophobicContact CD1-CB 4.45Å; I390-F436 PolarHBondContact N-O 2.88Å; I390-F437 HydrophobicContact CB-CD1 4.01Å; I390-F437 HydrophobicContact CB-CE1 3.92Å; I390-F437 HydrophobicContact CD1-CD1 4.48Å; I390-F437 HydrophobicContact CD1-CE1 3.57Å; I390-F437 HydrophobicContact CD1-CZ 3.89Å; I390-F437 HydrophobicContact CG1-CE1 4.31Å; I390-F437 HydrophobicContact CG2-CD1 4.28Å; I390-F437 HydrophobicContact CG2-CE1 4.16Å; I390-F437 WeakPolarHBondContact O-CA 3.22Å; I390-L438 PolarHBondContact O-N 2.7Å
391A98.6Very high98.1Very high1 Ų134 Ų341%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-162.7176.9-177.300000112.2E417 L418 A419 L438A391-E417 PolarHBondContact N-O 2.95Å; A391-L418 WeakPolarHBondContact O-CA 3.4Å; A391-A419 PolarHBondContact O-N 3.14Å; A391-L438 HydrophobicContact CB-CB 3.85Å; A391-L438 HydrophobicContact CB-CD1 4.49Å; A391-L438 HydrophobicContact CB-CG 4.36Å; A391-L438 WeakPolarHBondContact CB-O 3.47Å
392C97.9Very high98.2Very high36 Ų3634 Ų3424%0.24316%0.158CC..  trans-125152.4173.3-59.70000111.2T394 S395 Y396 T444C392-T394 PolarHBondContact O-N 2.87Å; C392-S395 PolarHBondContact O-N 3.02Å; C392-Y396 PolarHBondContact O-N 3.38Å; C392-T444 HydrophobicContact CB-CG2 4.26Å
393G96.7Very high98.3Very high34 Ų3435.4 Ų35.435%0.35116%0.16SC..Hα-helixtrans53.7-132.7171.300000114.2S395 Y396 H397G393-S395 VanDerWaalsContact C-N 3.25Å; G393-S395 PolarHBondContact O-N 2.88Å; G393-Y396 WeakPolarHBondContact O-CB 3.36Å; G393-Y396 PolarHBondContact O-N 3.4Å; G393-H397 PolarHBondContact O-N 2.79Å; G393-H397 VanDerWaalsContact O-N 3.17Å
394T98.4Very high98.5Very high11 Ų1128.1 Ų28.17%0.06714%0.135CC..Hα-helixtrans-57.6-33.1179.6-66.60000113.3C392 Y396 H397 A398 Y496 E572 K576C392-T394 PolarHBondContact O-N 2.87Å; T394-Y396 VanDerWaalsContact C-N 3.34Å; T394-Y396 PolarHBondContact O-N 2.62Å; T394-H397 WeakPolarHBondContact O-CB 3.42Å; T394-H397 PolarHBondContact O-N 2.78Å; T394-A398 PolarHBondContact O-N 3.03Å; T394-A398 VanDerWaalsContact O-N 3.09Å; T394-Y496 HydrophobicContact CG2-CD2 3.73Å; T394-Y496 HydrophobicContact CG2-CG 4.01Å; T394-E572 WeakPolarHBondContact CA-OE2 3.35Å; T394-E572 WeakPolarHBondContact CB-OE2 3.45Å; T394-E572 WeakPolarHBondContact CG2-OE1 3.5Å; T394-E572 WeakPolarHBondContact CG2-OE2 3.49Å; T394-E572 PolarHBondContact OG1-OE1 3Å; T394-E572 VanDerWaalsContact OG1-OE1 3.11Å; T394-E572 PolarHBondContact OG1-OE2 2.75Å; T394-K576 PolarHBondContact OG1-NZ 3.36Å; T394-K576 VanDerWaalsContact OG1-NZ 3.08Å
395S98.5Very high98.5Very high13 Ų1327.4 Ų27.49%0.09113%0.13CC..Hα-helixtrans-69.4-31.7175.8-68.70000112.7C392 G393 A398 G399 L438 Q499C392-S395 PolarHBondContact O-N 3.02Å; G393-S395 VanDerWaalsContact C-N 3.25Å; G393-S395 PolarHBondContact O-N 2.88Å; S395-A398 WeakPolarHBondContact O-CB 2.99Å; S395-A398 PolarHBondContact O-N 2.75Å; S395-G399 PolarHBondContact O-N 2.84Å; S395-L438 WeakPolarHBondContact CB-O 3.36Å; S395-L438 VanDerWaalsContact O-CD1 3.31Å; S395-L438 WeakPolarHBondContact O-CD1 3.34Å; S395-Q499 PolarHBondContact OG-NE2 3.31Å; S395-Q499 PolarHBondContact OG-OE1 3.04Å
396Y98.8Very high98.6Very high52 Ų5219.8 Ų19.820%0.20410%0.102CC..Hα-helixtrans-64.1-41.6168.7166.6-93.9000111.2C392 G393 T394 A398 G399 V400 V416 L418C392-Y396 PolarHBondContact O-N 3.38Å; G393-Y396 WeakPolarHBondContact O-CB 3.36Å; G393-Y396 PolarHBondContact O-N 3.4Å; T394-Y396 VanDerWaalsContact C-N 3.34Å; T394-Y396 PolarHBondContact O-N 2.62Å; Y396-A398 VanDerWaalsContact C-N 3.26Å; Y396-A398 PolarHBondContact O-N 2.86Å; Y396-G399 WeakPolarHBondContact O-CA 3.36Å; Y396-G399 PolarHBondContact O-N 2.78Å; Y396-V400 HydrophobicContact CD1-CG2 4.07Å; Y396-V400 HydrophobicContact CE1-CG2 3.55Å; Y396-V400 HydrophobicContact CE2-CG2 4.26Å; Y396-V400 PolarHBondContact O-N 3.12Å; Y396-V416 HydrophobicContact CD2-CG1 3.75Å; Y396-V416 HydrophobicContact CE2-CB 4.29Å; Y396-V416 HydrophobicContact CE2-CG1 3.59Å; Y396-L418 HydrophobicContact CD1-CD2 3.73Å; Y396-L418 HydrophobicContact CD1-CG 4.27Å; Y396-L418 HydrophobicContact CD2-CD2 3.78Å; Y396-L418 HydrophobicContact CD2-CG 3.89Å; Y396-L418 HydrophobicContact CE1-CD2 4.2Å; Y396-L418 HydrophobicContact CE1-CG 4.27Å; Y396-L418 HydrophobicContact CE2-CD2 4.23Å; Y396-L418 HydrophobicContact CE2-CG 3.88Å; Y396-L418 HydrophobicContact CG-CD2 3.51Å; Y396-L418 HydrophobicContact CG-CG 4.1Å
397H98.8Very high98.6Very high21 Ų2121 Ų2110%0.09711%0.109CC..Hα-helixtrans-60.7-33.9175.2-59.8155000112.9G393 T394 G399 V400 A401 Y496 E572G393-H397 PolarHBondContact O-N 2.79Å; G393-H397 VanDerWaalsContact O-N 3.17Å; T394-H397 WeakPolarHBondContact O-CB 3.42Å; T394-H397 PolarHBondContact O-N 2.78Å; H397-G399 VanDerWaalsContact C-N 3.29Å; H397-G399 PolarHBondContact O-N 3.45Å; H397-V400 PolarHBondContact O-N 3.38Å; H397-A401 WeakPolarHBondContact O-CB 3.29Å; H397-A401 PolarHBondContact O-N 2.97Å; H397-Y496 HydrophobicContact CB-CE2 3.97Å; H397-E572 HydrophobicContact CB-CB 4.28Å; H397-E572 IonicContact CE1-OE2 3.65Å; H397-E572 IonicContact CG-OE2 3.73Å; H397-E572 WeakPolarHBondContact ND1-CA 3.49Å; H397-E572 IonicContact ND1-OE2 2.68Å; H397-E572 PolarHBondContact ND1-OE2 3.27Å
398A98.8Very high98.6Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-63.2-36.7174.100000111.9T394 S395 Y396 A401 T402 Y496 Q499T394-A398 PolarHBondContact O-N 3.03Å; T394-A398 VanDerWaalsContact O-N 3.09Å; S395-A398 WeakPolarHBondContact O-CB 2.99Å; S395-A398 PolarHBondContact O-N 2.75Å; Y396-A398 VanDerWaalsContact C-N 3.26Å; Y396-A398 PolarHBondContact O-N 2.86Å; A398-A401 PolarHBondContact O-N 3.32Å; A398-T402 PolarHBondContact O-N 3.37Å; A398-T402 PolarHBondContact O-OG1 2.61Å; A398-Y496 HydrophobicContact CB-CD2 3.92Å; A398-Y496 HydrophobicContact CB-CE2 4.08Å; A398-Q499 HydrophobicContact CB-CB 3.87Å
399G98.6Very high98.6Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-64.1-45.9170.600000112.3S395 Y396 H397 A401 T402 R403S395-G399 PolarHBondContact O-N 2.84Å; Y396-G399 WeakPolarHBondContact O-CA 3.36Å; Y396-G399 PolarHBondContact O-N 2.78Å; H397-G399 VanDerWaalsContact C-N 3.29Å; H397-G399 PolarHBondContact O-N 3.45Å; G399-A401 VanDerWaalsContact C-N 3.28Å; G399-A401 PolarHBondContact O-N 3.37Å; G399-T402 PolarHBondContact O-N 2.86Å; G399-T402 PolarHBondContact O-OG1 3.27Å; G399-R403 PolarHBondContact O-N 2.87Å
400V98.8Very high98.5Very high27 Ų2724.6 Ų24.616%0.16413%0.127CC..Hα-helixtrans-60.8-39.3175.7-178.10000111.3Y396 H397 T402 V416 Y567 A568Y396-V400 HydrophobicContact CD1-CG2 4.07Å; Y396-V400 HydrophobicContact CE1-CG2 3.55Å; Y396-V400 HydrophobicContact CE2-CG2 4.26Å; Y396-V400 PolarHBondContact O-N 3.12Å; H397-V400 PolarHBondContact O-N 3.38Å; V400-T402 VanDerWaalsContact C-N 3.28Å; V400-T402 PolarHBondContact O-N 3.28Å; V400-V416 HydrophobicContact CG2-CG1 4.05Å; V400-Y567 HydrophobicContact CG1-CD1 3.89Å; V400-Y567 HydrophobicContact CG1-CE1 4.31Å; V400-A568 HydrophobicContact CB-CB 4.05Å; V400-A568 HydrophobicContact CG1-CB 3.97Å
401A98.8Very high98.5Very high4 Ų431.1 Ų31.13%0.03316%0.157CC..Hα-helixtrans-67.2-29.2-177.900000113.2H397 A398 G399 Y496 F500 A568H397-A401 WeakPolarHBondContact O-CB 3.29Å; H397-A401 PolarHBondContact O-N 2.97Å; A398-A401 PolarHBondContact O-N 3.32Å; G399-A401 VanDerWaalsContact C-N 3.28Å; G399-A401 PolarHBondContact O-N 3.37Å; A401-Y496 WeakPolarHBondContact CB-OH 3.33Å; A401-F500 HydrophobicContact CB-CD2 3.76Å; A401-F500 HydrophobicContact CB-CE2 3.46Å; A401-F500 VanDerWaalsContact CB-CE2 3.46Å; A401-F500 HydrophobicContact CB-CZ 4.11Å; A401-A568 VanDerWaalsContact CA-CB 3.44Å; A401-A568 HydrophobicContact CB-CB 3.48Å; A401-A568 VanDerWaalsContact CB-CB 3.48Å
402T98.8Very high98.5Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-106.4-8.7-175.253.80000113.5A398 G399 V400 Q404 V405 L406 F500 L503 V504A398-T402 PolarHBondContact O-N 3.37Å; A398-T402 PolarHBondContact O-OG1 2.61Å; G399-T402 PolarHBondContact O-N 2.86Å; G399-T402 PolarHBondContact O-OG1 3.27Å; V400-T402 VanDerWaalsContact C-N 3.28Å; V400-T402 PolarHBondContact O-N 3.28Å; T402-Q404 VanDerWaalsContact C-N 3.31Å; T402-Q404 PolarHBondContact O-N 3.23Å; T402-V405 WeakPolarHBondContact O-CG1 3.41Å; T402-V405 PolarHBondContact O-N 2.84Å; T402-L406 WeakPolarHBondContact O-CG 3.06Å; T402-L406 PolarHBondContact O-N 3.24Å; T402-F500 HydrophobicContact CG2-CB 4.46Å; T402-F500 HydrophobicContact CG2-CD1 3.4Å; T402-F500 HydrophobicContact CG2-CD2 4.49Å; T402-F500 HydrophobicContact CG2-CE1 3.6Å; T402-F500 HydrophobicContact CG2-CG 3.86Å; T402-F500 HydrophobicContact CG2-CZ 4.25Å; T402-L503 HydrophobicContact CG2-CB 3.94Å; T402-L503 HydrophobicContact CG2-CD1 4.34Å; T402-L503 VanDerWaalsContact OG1-CD1 3.25Å; T402-L503 WeakPolarHBondContact OG1-CD1 3.38Å; T402-V504 HydrophobicContact CG2-CG2 4.35Å
403R98.8Very high98.5Very high112 Ų11234.6 Ų34.642%0.42318%0.178SC..Hα-helixtrans-47.8-51.1178.8-178.2-175171.9166.63.1112.6G399 V405 L406 E407 V414 V416G399-R403 PolarHBondContact O-N 2.87Å; R403-V405 PolarHBondContact O-N 2.98Å; R403-L406 PolarHBondContact O-N 3.14Å; R403-E407 HydrophobicContact CG-CG 4.47Å; R403-E407 IonicContact CZ-OE1 2.71Å; R403-E407 IonicContact NE-OE1 3.44Å; R403-E407 PolarHBondContact NE-OE1 3.48Å; R403-E407 IonicContact NH2-OE1 3.16Å; R403-E407 PolarHBondContact NH2-OE1 3.12Å; R403-E407 WeakPolarHBondContact O-CG 3.24Å; R403-E407 PolarHBondContact O-N 2.98Å; R403-V414 HydrophobicContact CG-CB 4.21Å; R403-V414 HydrophobicContact CG-CG1 4.08Å; R403-V414 PolarHBondContact NE-O 3.04Å; R403-V416 HydrophobicContact CB-CG2 4.01Å; R403-V416 HydrophobicContact CG-CG2 4.05Å
404Q98.7Very high98.6Very high59 Ų5933.3 Ų33.328%0.27616%0.163SC..Hα-helixtrans-64.1-42.2-174.8178.9171.3-6.800112.7T402 E407 E408 Y565 H615T402-Q404 VanDerWaalsContact C-N 3.31Å; T402-Q404 PolarHBondContact O-N 3.23Å; Q404-E407 PolarHBondContact O-N 3.27Å; Q404-E408 WeakPolarHBondContact O-CB 3.25Å; Q404-E408 PolarHBondContact O-N 3.12Å; Q404-Y565 HydrophobicContact CB-CD1 4.26Å; Q404-Y565 HydrophobicContact CB-CE1 3.74Å; Q404-Y565 HydrophobicContact CG-CE1 3.76Å; Q404-H615 PolarHBondContact NE2-NE2 2.98Å
405V98.8Very high98.6Very high0 Ų035.5 Ų35.50%017%0.173CC..Hα-helixtrans-74.7-2917964.50000111.9T402 R403 L409 V504 I524 Y565 C661T402-V405 WeakPolarHBondContact O-CG1 3.41Å; T402-V405 PolarHBondContact O-N 2.84Å; R403-V405 PolarHBondContact O-N 2.98Å; V405-L409 HydrophobicContact CG2-CD1 3.79Å; V405-L409 HydrophobicContact CG2-CG 4.03Å; V405-L409 WeakPolarHBondContact O-CB 3.49Å; V405-L409 WeakPolarHBondContact O-CG 3.41Å; V405-L409 PolarHBondContact O-N 3.36Å; V405-V504 HydrophobicContact CG1-CG2 4.3Å; V405-I524 HydrophobicContact CG2-CD1 4.41Å; V405-Y565 HydrophobicContact CB-CE1 4.44Å; V405-C661 HydrophobicContact CB-CB 3.9Å; V405-C661 HydrophobicContact CG1-CB 4.44Å; V405-C661 HydrophobicContact CG2-CB 3.93Å
406L98.8Very high98.7Very high1 Ų135.7 Ų35.71%0.00517%0.174CC..Hα-helixtrans-65.5-46.1169.7-70.2165.8000110.6L389 T402 R403 E408 T410 V414 F506 A507L389-L406 HydrophobicContact CD1-CD1 4.03Å; L389-L406 HydrophobicContact CD2-CD1 4.18Å; T402-L406 WeakPolarHBondContact O-CG 3.06Å; T402-L406 PolarHBondContact O-N 3.24Å; R403-L406 PolarHBondContact O-N 3.14Å; L406-E408 PolarHBondContact O-N 3.46Å; L406-T410 VanDerWaalsContact O-CB 3.24Å; L406-T410 WeakPolarHBondContact O-CB 3.16Å; L406-T410 VanDerWaalsContact O-CG2 3.28Å; L406-T410 WeakPolarHBondContact O-CG2 3.3Å; L406-T410 PolarHBondContact O-N 2.98Å; L406-T410 PolarHBondContact O-OG1 2.89Å; L406-V414 HydrophobicContact CB-CG1 4.4Å; L406-V414 HydrophobicContact CB-CG2 3.88Å; L406-V414 HydrophobicContact CD1-CG1 4.38Å; L406-F506 HydrophobicContact CD2-CD1 3.65Å; L406-F506 HydrophobicContact CD2-CE1 3.97Å; L406-A507 HydrophobicContact CD2-CB 3.85Å
407E98.8Very high98.6Very high67 Ų6734.5 Ų34.531%0.31317%0.17SC..Hα-helixtrans-58.7-45.7174.6-70.9168.4163.200111R403 Q404 E411 V414R403-E407 HydrophobicContact CG-CG 4.47Å; R403-E407 IonicContact CZ-OE1 2.71Å; R403-E407 IonicContact NE-OE1 3.44Å; R403-E407 PolarHBondContact NE-OE1 3.48Å; R403-E407 IonicContact NH2-OE1 3.16Å; R403-E407 PolarHBondContact NH2-OE1 3.12Å; R403-E407 WeakPolarHBondContact O-CG 3.24Å; R403-E407 PolarHBondContact O-N 2.98Å; Q404-E407 PolarHBondContact O-N 3.27Å; E407-E411 VanDerWaalsContact O-CA 3.26Å; E407-E411 WeakPolarHBondContact O-CA 3.36Å; E407-E411 PolarHBondContact O-N 3.09Å; E407-V414 HydrophobicContact CB-CG2 4.43Å; E407-V414 HydrophobicContact CG-CB 3.73Å; E407-V414 HydrophobicContact CG-CG2 3.59Å
408E98.5Very high98.6Very high61 Ų6136.7 Ų36.729%0.28518%0.182SC..Hα-helixtrans-60.4-52.6178.4-175.5-169.114900112.5Q404 L406 R514 R520 Y565Q404-E408 WeakPolarHBondContact O-CB 3.25Å; Q404-E408 PolarHBondContact O-N 3.12Å; L406-E408 PolarHBondContact O-N 3.46Å; E408-R514 PolarHBondContact O-NH2 2.86Å; E408-R520 WeakPolarHBondContact OE1-CG 3.19Å; E408-R520 IonicContact OE1-CZ 2.86Å; E408-R520 IonicContact OE1-NE 3.66Å; E408-R520 PolarHBondContact OE1-NE 3.46Å; E408-R520 IonicContact OE1-NH2 3.2Å; E408-R520 IonicContact OE2-NE 2.67Å; E408-R520 IonicContact OE2-NH2 3.88Å; E408-R520 PolarHBondContact OE2-NH2 3.35Å; E408-Y565 PolarHBondContact OE2-OH 3.05Å
409L98.4Very high98.6Very high0 Ų036.7 Ų36.70%018%0.182CC..Hα-helixtrans-87.4-19.5-170.5-61.1-174.3000113.6V405 A507 L508 C511 R514 M517 R520 I524V405-L409 HydrophobicContact CG2-CD1 3.79Å; V405-L409 HydrophobicContact CG2-CG 4.03Å; V405-L409 WeakPolarHBondContact O-CB 3.49Å; V405-L409 WeakPolarHBondContact O-CG 3.41Å; V405-L409 PolarHBondContact O-N 3.36Å; L409-A507 HydrophobicContact CB-CB 4.11Å; L409-A507 HydrophobicContact CD1-CB 3.78Å; L409-A507 HydrophobicContact CG-CB 4.47Å; L409-L508 HydrophobicContact CD1-CD2 4.25Å; L409-C511 HydrophobicContact CB-CB 4.32Å; L409-C511 WeakPolarHBondContact O-CB 3.3Å; L409-R514 PolarHBondContact O-NH2 3.4Å; L409-M517 HydrophobicContact CD2-SD 4.48Å; L409-R520 HydrophobicContact CD2-CG 4.24Å; L409-I524 HydrophobicContact CD1-CD1 3.96Å
410T98.1Very high98.5Very high17 Ų1739.1 Ų39.110%0.10420%0.199CC..Hα-helixtrans-100.3-24.2175.771.50000113.2L387 L406 L412 M510L387-T410 HydrophobicContact CD1-CG2 4.1Å; L406-T410 VanDerWaalsContact O-CB 3.24Å; L406-T410 WeakPolarHBondContact O-CB 3.16Å; L406-T410 VanDerWaalsContact O-CG2 3.28Å; L406-T410 WeakPolarHBondContact O-CG2 3.3Å; L406-T410 PolarHBondContact O-N 2.98Å; L406-T410 PolarHBondContact O-OG1 2.89Å; T410-L412 PolarHBondContact O-N 2.87Å; T410-L412 VanDerWaalsContact O-N 3.13Å; T410-L412 PolarHBondContact OG1-N 3.31Å; T410-M510 HydrophobicContact CG2-CB 3.77Å; T410-M510 HydrophobicContact CG2-CE 4.34Å; T410-M510 HydrophobicContact CG2-CG 3.92Å
411E98.1Very high98.4Very high137 Ų13740.9 Ų40.964%0.6421%0.207SC*.  trans57.413.5-168.6-64.5179.2169.700114.4E407 R514E407-E411 VanDerWaalsContact O-CA 3.26Å; E407-E411 WeakPolarHBondContact O-CA 3.36Å; E407-E411 PolarHBondContact O-N 3.09Å; E411-R514 IonicContact OE1-CZ 2.76Å; E411-R514 IonicContact OE1-NH1 3.77Å; E411-R514 PolarHBondContact OE1-NH1 3.32Å; E411-R514 IonicContact OE2-CZ 2.74Å; E411-R514 IonicContact OE2-NH1 2.83Å; E411-R514 PolarHBondContact OE2-NH1 2.89Å
412L98.2Very high98.4Very high31 Ų3140.7 Ų40.716%0.16221%0.206CC..SBendtrans-90.4149.8175-60.7-179.5000110.4L387 T410 V414 M510L387-L412 HydrophobicContact CD2-CD1 3.92Å; L387-L412 HydrophobicContact CG-CB 4.34Å; L387-L412 HydrophobicContact CG-CD1 4.04Å; T410-L412 PolarHBondContact O-N 2.87Å; T410-L412 VanDerWaalsContact O-N 3.13Å; T410-L412 PolarHBondContact OG1-N 3.31Å; L412-V414 WeakPolarHBondContact O-CG2 3.32Å; L412-V414 PolarHBondContact O-N 2.94Å; L412-M510 HydrophobicContact CD1-CE 4.5Å
413P98.8Very high98.3Very high80 Ų8042.4 Ų42.452%0.51922%0.215SC..  trans-56126.5161.6-21.132.4000110.3R385 R386 L387R385-P413 VanDerWaalsContact O-CD 3.28Å; R385-P413 WeakPolarHBondContact O-CD 3.45Å; R386-P413 HydrophobicContact CG-CB 4.35Å; L387-P413 PolarHBondContact N-O 3.03Å
414V98.8Very high98.3Very high6 Ų643.2 Ų43.24%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-115117.6176.8-173.90000109.5L387 L389 R403 L406 E407 L412L387-V414 HydrophobicContact CB-CG1 4.39Å; L387-V414 HydrophobicContact CB-CG2 4.27Å; L387-V414 HydrophobicContact CD1-CG2 4.18Å; L387-V414 WeakPolarHBondContact O-CA 3.24Å; L389-V414 HydrophobicContact CD1-CG1 3.23Å; R403-V414 HydrophobicContact CG-CB 4.21Å; R403-V414 HydrophobicContact CG-CG1 4.08Å; R403-V414 PolarHBondContact NE-O 3.04Å; L406-V414 HydrophobicContact CB-CG1 4.4Å; L406-V414 HydrophobicContact CB-CG2 3.88Å; L406-V414 HydrophobicContact CD1-CG1 4.38Å; E407-V414 HydrophobicContact CB-CG2 4.43Å; E407-V414 HydrophobicContact CG-CB 3.73Å; E407-V414 HydrophobicContact CG-CG2 3.59Å; L412-V414 WeakPolarHBondContact O-CG2 3.32Å; L412-V414 PolarHBondContact O-N 2.94Å
415M98.8Very high98.2Very high58 Ų5846.1 Ų46.129%0.28624%0.236SC..EExtended strand (participates in β ladder)trans-105.2137176.6-167.8176.5-75.900109L387 I388 L389 E417L387-M415 PolarHBondContact O-N 2.95Å; I388-M415 CarbonylContact C-O 3.58Å; I388-M415 WeakPolarHBondContact CA-O 3.37Å; I388-M415 HydrophobicContact CG1-CB 4.5Å; I388-M415 HydrophobicContact CG2-CB 4.4Å; L389-M415 PolarHBondContact N-O 3.14Å; M415-E417 HydrophobicContact CG-CG 3.88Å; M415-E417 WeakPolarHBondContact CG-OE1 3.48Å; M415-E417 HydrophobicContact SD-CG 4.16Å; M415-E417 VanDerWaalsContact SD-OE1 3.38Å
416V98.8Very high98.1Very high16 Ų1651.1 Ų51.110%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-124.3120.6178.3-168.50000107.4L389 Y396 V400 R403L389-V416 HydrophobicContact CB-CG1 4.27Å; L389-V416 HydrophobicContact CB-CG2 4.47Å; L389-V416 HydrophobicContact CD1-CG2 3.94Å; L389-V416 CarbonylContact O-C 3.51Å; L389-V416 WeakPolarHBondContact O-CA 3.38Å; Y396-V416 HydrophobicContact CD2-CG1 3.75Å; Y396-V416 HydrophobicContact CE2-CB 4.29Å; Y396-V416 HydrophobicContact CE2-CG1 3.59Å; V400-V416 HydrophobicContact CG2-CG1 4.05Å; R403-V416 HydrophobicContact CB-CG2 4.01Å; R403-V416 HydrophobicContact CG-CG2 4.05Å
417E98.6Very high98.1Very high28 Ų2851.5 Ų51.513%0.13127%0.265CS..EExtended strand (participates in β ladder)trans-126.7137.1-167.9-66.9-64.5154.700111.2I388 L389 A391 M415 F422 R425I388-E417 HydrophobicContact CG2-CG 4.33Å; L389-E417 PolarHBondContact O-N 2.94Å; A391-E417 PolarHBondContact N-O 2.95Å; M415-E417 HydrophobicContact CG-CG 3.88Å; M415-E417 WeakPolarHBondContact CG-OE1 3.48Å; M415-E417 HydrophobicContact SD-CG 4.16Å; M415-E417 VanDerWaalsContact SD-OE1 3.38Å; E417-F422 HydrophobicContact CB-CB 4.17Å; E417-F422 HydrophobicContact CB-CD2 4.03Å; E417-F422 HydrophobicContact CB-CG 4.49Å; E417-F422 HydrophobicContact CG-CD2 4.01Å; E417-R425 IonicContact OE1-NH2 3.26Å; E417-R425 IonicContact OE2-CZ 3.55Å; E417-R425 IonicContact OE2-NH1 2.8Å; E417-R425 IonicContact OE2-NH2 2.88Å; E417-R425 PolarHBondContact OE2-NH2 2.68Å
418L98.6Very high98.1Very high67 Ų6752.3 Ų52.335%0.35128%0.276SS..EExtended strand (participates in β ladder)trans-73.2125.4165.5-74.9168.4000108.1A391 Y396 S420 D421 F422A391-L418 WeakPolarHBondContact O-CA 3.4Å; Y396-L418 HydrophobicContact CD1-CD2 3.73Å; Y396-L418 HydrophobicContact CD1-CG 4.27Å; Y396-L418 HydrophobicContact CD2-CD2 3.78Å; Y396-L418 HydrophobicContact CD2-CG 3.89Å; Y396-L418 HydrophobicContact CE1-CD2 4.2Å; Y396-L418 HydrophobicContact CE1-CG 4.27Å; Y396-L418 HydrophobicContact CE2-CD2 4.23Å; Y396-L418 HydrophobicContact CE2-CG 3.88Å; Y396-L418 HydrophobicContact CG-CD2 3.51Å; Y396-L418 HydrophobicContact CG-CG 4.1Å; L418-S420 VanDerWaalsContact C-N 3.31Å; L418-S420 PolarHBondContact O-N 3.01Å; L418-D421 HydrophobicContact CB-CB 4.45Å; L418-D421 PolarHBondContact O-N 2.77Å; L418-F422 WeakPolarHBondContact O-CB 3.23Å; L418-F422 PolarHBondContact O-N 3.49Å
419A98.1Very high98.1Very high0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-61.9-35.2-167.900000114I390 A391 F422 L423 D446I390-A419 HydrophobicContact CG2-CB 3.64Å; A391-A419 PolarHBondContact O-N 3.14Å; A419-F422 WeakPolarHBondContact O-CB 3.17Å; A419-L423 WeakPolarHBondContact O-CG 3.45Å; A419-L423 PolarHBondContact O-N 3.3Å; A419-D446 HydrophobicContact CB-CB 3.72Å
420S95.8Very high98.1Very high50 Ų5055.4 Ų55.435%0.3529%0.29SS..Hα-helixtrans-63.1-54.8176.550.70000111.9L418 F422 L423 D424L418-S420 VanDerWaalsContact C-N 3.31Å; L418-S420 PolarHBondContact O-N 3.01Å; S420-F422 VanDerWaalsContact C-N 3.27Å; S420-F422 PolarHBondContact O-N 3.38Å; S420-L423 WeakPolarHBondContact O-CB 3.34Å; S420-L423 PolarHBondContact O-N 3.2Å; S420-L423 VanDerWaalsContact O-N 3.1Å; S420-D424 PolarHBondContact O-N 3.18Å
421D98.2Very high98.1Very high64 Ų6464.5 Ų64.534%0.34232%0.323SS..Hα-helixtrans-63.9-32.5178.3-178.328.1000112.1L418 L423 D424 R425L418-D421 HydrophobicContact CB-CB 4.45Å; L418-D421 PolarHBondContact O-N 2.77Å; D421-L423 VanDerWaalsContact C-N 3.33Å; D421-L423 PolarHBondContact O-N 2.88Å; D421-D424 PolarHBondContact O-N 3.12Å; D421-R425 WeakPolarHBondContact O-CG 3.37Å; D421-R425 PolarHBondContact O-N 3.44Å; D421-R425 VanDerWaalsContact O-N 3.12Å; D421-R425 WeakPolarHBondContact OD1-CD 3.23Å; D421-R425 IonicContact OD1-CZ 2.76Å; D421-R425 IonicContact OD1-NE 3.63Å; D421-R425 IonicContact OD1-NH1 3.88Å; D421-R425 PolarHBondContact OD1-NH1 2.99Å; D421-R425 IonicContact OD2-CZ 3.32Å; D421-R425 IonicContact OD2-NH1 3.98Å; D421-R425 PolarHBondContact OD2-NH1 2.7Å
422F98.4Very high98.1Very high0 Ų061 Ų610%031%0.308CS..Hα-helixtrans-58.6-43.4172.4176.2-93.2000112.7I388 I390 E417 L418 A419 S420 T427 V429 Y453I388-F422 HydrophobicContact CG2-CE2 4.35Å; I390-F422 HydrophobicContact CD1-CD1 4.31Å; I390-F422 HydrophobicContact CD1-CD2 4.33Å; I390-F422 HydrophobicContact CD1-CE1 3.88Å; I390-F422 HydrophobicContact CD1-CE2 3.9Å; I390-F422 HydrophobicContact CD1-CZ 3.65Å; I390-F422 HydrophobicContact CG1-CD2 4.44Å; I390-F422 HydrophobicContact CG1-CE2 4.4Å; E417-F422 HydrophobicContact CB-CB 4.17Å; E417-F422 HydrophobicContact CB-CD2 4.03Å; E417-F422 HydrophobicContact CB-CG 4.49Å; E417-F422 HydrophobicContact CG-CD2 4.01Å; L418-F422 WeakPolarHBondContact O-CB 3.23Å; L418-F422 PolarHBondContact O-N 3.49Å; A419-F422 WeakPolarHBondContact O-CB 3.17Å; S420-F422 VanDerWaalsContact C-N 3.27Å; S420-F422 PolarHBondContact O-N 3.38Å; F422-T427 VanDerWaalsContact CD2-CB 3.44Å; F422-T427 HydrophobicContact CD2-CG2 3.74Å; F422-T427 WeakPolarHBondContact CD2-OG1 3.49Å; F422-T427 VanDerWaalsContact CE2-CB 3.41Å; F422-T427 HydrophobicContact CE2-CG2 3.55Å; F422-T427 PolarHBondContact O-N 2.86Å; F422-T427 PolarHBondContact O-OG1 3.22Å; F422-V429 HydrophobicContact CE2-CG2 4.2Å; F422-V429 HydrophobicContact CZ-CG2 3.63Å; F422-Y453 AromaticContact CE1-CD1 3.63Å; F422-Y453 HydrophobicContact CE1-CD1 3.63Å; F422-Y453 AromaticContact CE1-CE1 4Å; F422-Y453 HydrophobicContact CE1-CE1 4Å; F422-Y453 HydrophobicContact CE1-CG 4.34Å; F422-Y453 HydrophobicContact CZ-CD1 4.04Å; F422-Y453 HydrophobicContact CZ-CE1 4.1Å
423L96.6Very high98.1Very high36 Ų3659.5 Ų59.519%0.18830%0.3CS..Hα-helixtrans-70.9-47.7177.3-70.5167000111.2A419 S420 D421 R425 N426 D446 M449 Y453A419-L423 WeakPolarHBondContact O-CG 3.45Å; A419-L423 PolarHBondContact O-N 3.3Å; S420-L423 WeakPolarHBondContact O-CB 3.34Å; S420-L423 PolarHBondContact O-N 3.2Å; S420-L423 VanDerWaalsContact O-N 3.1Å; D421-L423 VanDerWaalsContact C-N 3.33Å; D421-L423 PolarHBondContact O-N 2.88Å; L423-R425 VanDerWaalsContact C-N 3.26Å; L423-R425 PolarHBondContact O-N 3.07Å; L423-N426 PolarHBondContact O-N 3.49Å; L423-D446 HydrophobicContact CD1-CB 4.41Å; L423-M449 HydrophobicContact CD1-CB 3.72Å; L423-M449 HydrophobicContact CD2-CB 4.32Å; L423-Y453 HydrophobicContact CD2-CD2 4.28Å; L423-Y453 HydrophobicContact CD2-CG 4.33Å
424D97.4Very high98.1Very high129 Ų12955.7 Ų55.769%0.6928%0.275SS*.Hα-helixtrans-55.3-42.1-178.5-73-21.7000112.1S420 D421 N426S420-D424 PolarHBondContact O-N 3.18Å; D421-D424 PolarHBondContact O-N 3.12Å; D424-N426 VanDerWaalsContact C-N 3.27Å; D424-N426 PolarHBondContact O-N 2.56Å
425R97.9Very high98.1Very high120 Ų12055.4 Ų55.445%0.45327%0.274SS..THydrogen-bonded Turntrans-80.7-4.5-179.6-62.2-169.9-45.2-119.9-4.6114.3E417 D421 L423 T427E417-R425 IonicContact OE1-NH2 3.26Å; E417-R425 IonicContact OE2-CZ 3.55Å; E417-R425 IonicContact OE2-NH1 2.8Å; E417-R425 IonicContact OE2-NH2 2.88Å; E417-R425 PolarHBondContact OE2-NH2 2.68Å; D421-R425 WeakPolarHBondContact O-CG 3.37Å; D421-R425 PolarHBondContact O-N 3.44Å; D421-R425 VanDerWaalsContact O-N 3.12Å; D421-R425 WeakPolarHBondContact OD1-CD 3.23Å; D421-R425 IonicContact OD1-CZ 2.76Å; D421-R425 IonicContact OD1-NE 3.63Å; D421-R425 IonicContact OD1-NH1 3.88Å; D421-R425 PolarHBondContact OD1-NH1 2.99Å; D421-R425 IonicContact OD2-CZ 3.32Å; D421-R425 IonicContact OD2-NH1 3.98Å; D421-R425 PolarHBondContact OD2-NH1 2.7Å; L423-R425 VanDerWaalsContact C-N 3.26Å; L423-R425 PolarHBondContact O-N 3.07Å; R425-T427 VanDerWaalsContact C-N 3.32Å; R425-T427 PolarHBondContact O-N 3.45Å
426N97.3Very high98.1Very high106 Ų10652.7 Ų52.757%0.56726%0.26SS*.THydrogen-bonded Turntrans4856.8-171.1-68.1-85.2000110.9L423 D424 Y453L423-N426 PolarHBondContact O-N 3.49Å; D424-N426 VanDerWaalsContact C-N 3.27Å; D424-N426 PolarHBondContact O-N 2.56Å; N426-Y453 PolarHBondContact O-OH 2.76Å
427T98.3Very high98.1Very high9 Ų952 Ų526%0.05526%0.256CS..  trans-55.8135.2-169.5-590000111.7F422 R425 V429 Y453F422-T427 VanDerWaalsContact CD2-CB 3.44Å; F422-T427 HydrophobicContact CD2-CG2 3.74Å; F422-T427 WeakPolarHBondContact CD2-OG1 3.49Å; F422-T427 VanDerWaalsContact CE2-CB 3.41Å; F422-T427 HydrophobicContact CE2-CG2 3.55Å; F422-T427 PolarHBondContact O-N 2.86Å; F422-T427 PolarHBondContact O-OG1 3.22Å; R425-T427 VanDerWaalsContact C-N 3.32Å; R425-T427 PolarHBondContact O-N 3.45Å; T427-V429 PolarHBondContact O-N 2.84Å; T427-Y453 WeakPolarHBondContact O-CE1 3.36Å; T427-Y453 PolarHBondContact O-OH 3.02Å
428P98.5Very high98.1Very high84 Ų8450.7 Ų50.755%0.54525%0.25SC..  trans-65.6119.5178.5-24.534.8000113.3R386 F430R386-P428 PolarHBondContact NH2-O 3Å; P428-F430 HydrophobicContact CB-CE2 4.25Å; P428-F430 HydrophobicContact CB-CZ 4.22Å
429V98.6Very high98.1Very high14 Ų1447.5 Ų47.59%0.08523%0.234CC..  trans-121.2138.2177.4177.40000109.4F422 T427 D433 Y453 C454 R457 A459F422-V429 HydrophobicContact CE2-CG2 4.2Å; F422-V429 HydrophobicContact CZ-CG2 3.63Å; T427-V429 PolarHBondContact O-N 2.84Å; V429-D433 WeakPolarHBondContact CA-OD2 3.27Å; V429-Y453 HydrophobicContact CB-CE1 4.48Å; V429-Y453 HydrophobicContact CG2-CD1 4.34Å; V429-Y453 HydrophobicContact CG2-CE1 3.87Å; V429-C454 HydrophobicContact CG1-CB 4.41Å; V429-R457 HydrophobicContact CB-CB 4.09Å; V429-R457 HydrophobicContact CB-CG 4.29Å; V429-R457 HydrophobicContact CG1-CB 4.02Å; V429-A459 HydrophobicContact CG1-CB 3.62Å
430F98.3Very high98Very high112 Ų11248.7 Ų48.749%0.49124%0.239SC..  trans-121.1165.7-177.9-55.8-79.3000111.4P428 D432 D433 A459P428-F430 HydrophobicContact CB-CE2 4.25Å; P428-F430 HydrophobicContact CB-CZ 4.22Å; F430-D432 VanDerWaalsContact CB-OD1 3.28Å; F430-D432 WeakPolarHBondContact CB-OD1 3.44Å; F430-D432 PolarHBondContact O-N 3.38Å; F430-D433 PolarHBondContact N-OD2 3.47Å; F430-D433 WeakPolarHBondContact O-CB 3.46Å; F430-D433 PolarHBondContact O-N 2.93Å; F430-A459 WeakPolarHBondContact O-CB 3.23Å
431R97.8Very high97.8Very high208 Ų20846.8 Ų46.879%0.78523%0.225SC*.THydrogen-bonded Turntrans-69.4-21-176.6-59.7179.381.6153.46.1113.7R457 G458R431-R457 WeakPolarHBondContact CG-O 3.23Å; R431-G458 WeakPolarHBondContact CA-O 3.48Å
432D97.6Very high97.6Very high62 Ų6243.7 Ų43.733%0.33221%0.209SC..THydrogen-bonded Turntrans-99.313.2178.355.6-4.8000112.7C384 R385 F430C384-D432 WeakPolarHBondContact CA-O 3.34Å; C384-D432 WeakPolarHBondContact CB-O 3.45Å; R385-D432 WeakPolarHBondContact CD-OD2 3.39Å; R385-D432 HydrophobicContact CG-CB 4.16Å; R385-D432 PolarHBondContact N-O 3.46Å; R385-D432 IonicContact NH1-OD2 3.25Å; F430-D432 VanDerWaalsContact CB-OD1 3.28Å; F430-D432 WeakPolarHBondContact CB-OD1 3.44Å; F430-D432 PolarHBondContact O-N 3.38Å
433D98.6Very high97.2Very high0 Ų044.4 Ų44.40%021%0.212CC..EExtended strand (participates in β ladder)trans-86.5147.2167.2-67.5-36.9000111R386 I388 V429 F430 A459 L460R386-D433 WeakPolarHBondContact CB-OD1 3.47Å; R386-D433 IonicContact CZ-OD1 3.28Å; R386-D433 IonicContact CZ-OD2 3.3Å; R386-D433 IonicContact NE-OD1 3.84Å; R386-D433 PolarHBondContact NE-OD1 2.94Å; R386-D433 IonicContact NE-OD2 3.04Å; R386-D433 IonicContact NH2-OD1 3.03Å; R386-D433 PolarHBondContact NH2-OD1 2.96Å; R386-D433 IonicContact NH2-OD2 3.97Å; R386-D433 PolarHBondContact NH2-OD2 3.11Å; I388-D433 HydrophobicContact CD1-CB 4.18Å; V429-D433 WeakPolarHBondContact CA-OD2 3.27Å; F430-D433 PolarHBondContact N-OD2 3.47Å; F430-D433 WeakPolarHBondContact O-CB 3.46Å; F430-D433 PolarHBondContact O-N 2.93Å; D433-A459 HydrophobicContact CB-CB 4.27Å; D433-L460 PolarHBondContact O-N 3.09Å; D433-L460 VanDerWaalsContact O-N 3.14Å
434V98.8Very high97Very high0 Ų043.9 Ų43.90%021%0.211CC..EExtended strand (participates in β ladder)trans-110.5115.5166-178.40000108.6I381 C384 R386 L387 I388 F436 L460 V462I381-V434 HydrophobicContact CB-CG2 4.38Å; I381-V434 HydrophobicContact CG1-CG1 4.33Å; I381-V434 HydrophobicContact CG1-CG2 4.29Å; I381-V434 HydrophobicContact CG2-CG1 4.38Å; I381-V434 HydrophobicContact CG2-CG2 4.12Å; C384-V434 HydrophobicContact CB-CG2 3.4Å; C384-V434 WeakPolarHBondContact SG-CG2 3.41Å; R386-V434 PolarHBondContact O-N 3.16Å; L387-V434 WeakPolarHBondContact CA-O 3.27Å; L387-V434 HydrophobicContact CD2-CB 3.78Å; L387-V434 HydrophobicContact CD2-CG1 4.34Å; L387-V434 HydrophobicContact CD2-CG2 4.31Å; I388-V434 PolarHBondContact N-O 3.05Å; V434-F436 HydrophobicContact CB-CE2 4.43Å; V434-F436 HydrophobicContact CG1-CD2 3.99Å; V434-F436 HydrophobicContact CG1-CE2 3.5Å; V434-F436 VanDerWaalsContact CG1-CE2 3.5Å; V434-F436 HydrophobicContact CG1-CZ 4.27Å; V434-L460 WeakPolarHBondContact CA-O 3.36Å; V434-L460 HydrophobicContact CG1-CD2 4.06Å; V434-L460 HydrophobicContact CG2-CB 4.47Å; V434-V462 HydrophobicContact CG1-CG2 3.71Å
435C98.8Very high96.5Very high0 Ų038.4 Ų38.40%018%0.183CC..EExtended strand (participates in β ladder)trans-101.1114.6-177.8-63.10000110.5I388 I390 F437 C454 L460 T461 V462I388-C435 CarbonylContact O-C 3.55Å; I388-C435 WeakPolarHBondContact O-CA 3.41Å; I390-C435 HydrophobicContact CD1-CB 4.45Å; C435-F437 HydrophobicContact CB-CE2 3.59Å; C435-F437 HydrophobicContact CB-CZ 3.64Å; C435-F437 WeakPolarHBondContact O-CD2 3.27Å; C435-F437 VanDerWaalsContact O-CE2 3.28Å; C435-F437 WeakPolarHBondContact O-CE2 3.18Å; C435-C454 HydrophobicContact CB-CB 4.16Å; C435-C454 VanDerWaalsContact SG-SG 3.63Å; C435-L460 PolarHBondContact N-O 2.85Å; C435-T461 WeakPolarHBondContact O-CA 3.47Å; C435-V462 PolarHBondContact O-N 3.29Å
436F98.8Very high96.3Very high2 Ų234.7 Ų34.71%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-91.2129.6174.3-78.1-99.1000110.7L387 I388 L389 I390 V434 L438 V462 I464 L503 F506L387-F436 HydrophobicContact CD2-CE2 4.19Å; I388-F436 PolarHBondContact O-N 3.2Å; L389-F436 HydrophobicContact CD2-CB 4.1Å; L389-F436 HydrophobicContact CD2-CG 4.49Å; L389-F436 HydrophobicContact CG-CB 4.1Å; I390-F436 PolarHBondContact N-O 2.88Å; V434-F436 HydrophobicContact CB-CE2 4.43Å; V434-F436 HydrophobicContact CG1-CD2 3.99Å; V434-F436 HydrophobicContact CG1-CE2 3.5Å; V434-F436 VanDerWaalsContact CG1-CE2 3.5Å; V434-F436 HydrophobicContact CG1-CZ 4.27Å; F436-L438 HydrophobicContact CB-CD2 4.4Å; F436-V462 CarbonylContact C-O 3.36Å; F436-V462 WeakPolarHBondContact CA-O 3.37Å; F436-V462 HydrophobicContact CD1-CB 3.87Å; F436-V462 HydrophobicContact CD1-CG1 3.85Å; F436-V462 HydrophobicContact CE1-CB 3.85Å; F436-V462 HydrophobicContact CE1-CG1 3.56Å; F436-V462 HydrophobicContact CE1-CG2 4.28Å; F436-V462 HydrophobicContact CE2-CG2 4.37Å; F436-V462 HydrophobicContact CG-CB 4.23Å; F436-V462 HydrophobicContact CZ-CB 4.18Å; F436-V462 HydrophobicContact CZ-CG1 4.18Å; F436-V462 HydrophobicContact CZ-CG2 4.12Å; F436-I464 HydrophobicContact CD1-CD1 4.17Å; F436-I464 HydrophobicContact CD1-CG1 3.92Å; F436-I464 HydrophobicContact CE1-CD1 4.28Å; F436-L503 HydrophobicContact CD1-CD2 4.14Å; F436-L503 HydrophobicContact CE1-CD2 4.43Å; F436-F506 HydrophobicContact CE1-CD1 4.25Å; F436-F506 HydrophobicContact CE1-CD2 4.41Å; F436-F506 HydrophobicContact CE1-CE1 4.35Å; F436-F506 HydrophobicContact CE1-CE2 4.5Å; F436-F506 HydrophobicContact CE1-CG 4.29Å; F436-F506 HydrophobicContact CE1-CZ 4.48Å; F436-F506 AromaticContact CE2-CE1 4Å; F436-F506 HydrophobicContact CE2-CE1 4Å; F436-F506 AromaticContact CE2-CZ 3.99Å; F436-F506 HydrophobicContact CE2-CZ 3.99Å; F436-F506 AromaticContact CZ-CD1 3.85Å; F436-F506 HydrophobicContact CZ-CD1 3.85Å; F436-F506 HydrophobicContact CZ-CD2 4.03Å; F436-F506 AromaticContact CZ-CE1 3.51Å; F436-F506 HydrophobicContact CZ-CE1 3.51Å; F436-F506 AromaticContact CZ-CE2 3.71Å; F436-F506 HydrophobicContact CZ-CE2 3.71Å; F436-F506 HydrophobicContact CZ-CG 4.1Å; F436-F506 AromaticContact CZ-CZ 3.44Å; F436-F506 HydrophobicContact CZ-CZ 3.44Å; F436-F506 VanDerWaalsContact CZ-CZ 3.44Å
437F98.8Very high96.3Very high0 Ų029.7 Ų29.70%015%0.146CC..EExtended strand (participates in β ladder)trans-112.2106177-61-81.5000109.5I390 C435 T447 G450 L451 C454 T461 V462 I464 I472 T476I390-F437 HydrophobicContact CB-CD1 4.01Å; I390-F437 HydrophobicContact CB-CE1 3.92Å; I390-F437 HydrophobicContact CD1-CD1 4.48Å; I390-F437 HydrophobicContact CD1-CE1 3.57Å; I390-F437 HydrophobicContact CD1-CZ 3.89Å; I390-F437 HydrophobicContact CG1-CE1 4.31Å; I390-F437 HydrophobicContact CG2-CD1 4.28Å; I390-F437 HydrophobicContact CG2-CE1 4.16Å; I390-F437 WeakPolarHBondContact O-CA 3.22Å; C435-F437 HydrophobicContact CB-CE2 3.59Å; C435-F437 HydrophobicContact CB-CZ 3.64Å; C435-F437 WeakPolarHBondContact O-CD2 3.27Å; C435-F437 VanDerWaalsContact O-CE2 3.28Å; C435-F437 WeakPolarHBondContact O-CE2 3.18Å; F437-T447 HydrophobicContact CB-CG2 4.04Å; F437-T447 HydrophobicContact CD1-CG2 4.02Å; F437-G450 VanDerWaalsContact CE1-C 3.44Å; F437-L451 HydrophobicContact CD1-CB 3.85Å; F437-L451 HydrophobicContact CD2-CB 4.22Å; F437-L451 HydrophobicContact CD2-CD1 3.64Å; F437-L451 HydrophobicContact CD2-CG 4.46Å; F437-L451 HydrophobicContact CE1-CB 3.8Å; F437-L451 HydrophobicContact CE2-CB 4.16Å; F437-L451 HydrophobicContact CE2-CD1 3.44Å; F437-L451 VanDerWaalsContact CE2-CD1 3.44Å; F437-L451 HydrophobicContact CE2-CG 4.41Å; F437-L451 HydrophobicContact CG-CB 4.09Å; F437-L451 HydrophobicContact CG-CD1 4.32Å; F437-L451 HydrophobicContact CZ-CB 3.96Å; F437-L451 HydrophobicContact CZ-CD1 3.99Å; F437-C454 HydrophobicContact CZ-CB 3.9Å; F437-T461 HydrophobicContact CE2-CG2 3.9Å; F437-V462 PolarHBondContact N-O 3.01Å; F437-I464 PolarHBondContact O-N 2.77Å; F437-I472 HydrophobicContact CB-CG2 3.93Å; F437-T476 HydrophobicContact CD2-CG2 4.15Å
438L98.8Very high96.1Very high1 Ų129.8 Ų29.81%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-95.6113-177.9-41.7177.7000109.2L389 I390 A391 S395 F436 I464 L503L389-L438 HydrophobicContact CD2-CD1 4.01Å; L389-L438 HydrophobicContact CD2-CD2 4.35Å; L389-L438 HydrophobicContact CD2-CG 4.49Å; I390-L438 PolarHBondContact O-N 2.7Å; A391-L438 HydrophobicContact CB-CB 3.85Å; A391-L438 HydrophobicContact CB-CD1 4.49Å; A391-L438 HydrophobicContact CB-CG 4.36Å; A391-L438 WeakPolarHBondContact CB-O 3.47Å; S395-L438 WeakPolarHBondContact CB-O 3.36Å; S395-L438 VanDerWaalsContact O-CD1 3.31Å; S395-L438 WeakPolarHBondContact O-CD1 3.34Å; F436-L438 HydrophobicContact CB-CD2 4.4Å; L438-I464 HydrophobicContact CD2-CB 3.57Å; L438-I464 HydrophobicContact CD2-CG1 3.55Å; L438-I464 HydrophobicContact CD2-CG2 4.18Å; L438-L503 HydrophobicContact CD1-CD1 3.88Å; L438-L503 HydrophobicContact CD2-CD1 4.09Å; L438-L503 HydrophobicContact CD2-CD2 4.13Å; L438-L503 HydrophobicContact CD2-CG 4.46Å
439S98Very high95.9Very high1 Ų129.6 Ų29.61%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-152.8120.5178.2179.50000111.3S441 G442 T444 I464 T465S439-S441 VanDerWaalsContact C-N 3.34Å; S439-S441 PolarHBondContact O-N 2.85Å; S439-S441 PolarHBondContact OG-OG 2.91Å; S439-G442 PolarHBondContact O-N 3.13Å; S439-G442 WeakPolarHBondContact OG-CA 3.5Å; S439-G442 PolarHBondContact OG-N 2.88Å; S439-T444 PolarHBondContact OG-OG1 3.5Å; S439-T444 VanDerWaalsContact OG-OG1 3.1Å; S439-I464 PolarHBondContact N-O 2.93Å; S439-I464 VanDerWaalsContact N-O 3.08Å; S439-T465 VanDerWaalsContact O-CA 3.26Å; S439-T465 WeakPolarHBondContact O-CA 3.44Å
440Q95.8Very high95.8Very high25 Ų2529 Ų2912%0.11714%0.135CC..SBendtrans-58.3-47.5176-175.6-77.8-23.800111.2N466 T467 A495Q440-N466 HydrophobicContact CG-CB 4.12Å; Q440-N466 CarbonylContact O-C 3.55Å; Q440-N466 WeakPolarHBondContact O-CB 2.86Å; Q440-N466 PolarHBondContact O-N 2.81Å; Q440-N466 VanDerWaalsContact O-N 3.17Å; Q440-T467 PolarHBondContact O-OG1 3.09Å; Q440-A495 HydrophobicContact CB-CB 4.04Å; Q440-A495 HydrophobicContact CG-CB 3.45Å; Q440-A495 VanDerWaalsContact CG-CB 3.45Å
441S92.6Very high95.8Very high9 Ų923.6 Ų23.66%0.06311%0.111CC..SBendtrans-78.6-28-178.363.30000112.8S439 E443 T467 S470S439-S441 VanDerWaalsContact C-N 3.34Å; S439-S441 PolarHBondContact O-N 2.85Å; S439-S441 PolarHBondContact OG-OG 2.91Å; S441-E443 PolarHBondContact O-N 2.76Å; S441-E443 PolarHBondContact OG-N 2.68Å; S441-T467 WeakPolarHBondContact O-CB 3.45Å; S441-T467 PolarHBondContact O-OG1 2.56Å; S441-S470 WeakPolarHBondContact O-CB 3.44Å
442G94.1Very high95.7Very high0 Ų017.4 Ų17.40%09%0.088CC..SBendtrans68.413.9-170.600000114S439 S471 I472S439-G442 PolarHBondContact O-N 3.13Å; S439-G442 WeakPolarHBondContact OG-CA 3.5Å; S439-G442 PolarHBondContact OG-N 2.88Å; G442-S471 PolarHBondContact O-N 2.81Å; G442-I472 WeakPolarHBondContact O-CB 3.4Å; G442-I472 WeakPolarHBondContact O-CG1 3.41Å; G442-I472 PolarHBondContact O-N 2.99Å
443E89.5Confident95.7Very high15 Ų1515.8 Ų15.87%0.078%0.077CC..  trans-129.76.6-175.3-58.7-62.3162.100112.8M1 P206 S441 A445 S470 S471 T697M1-E443 HydrophobicContact CE-CB 4.1Å; M1-E443 HydrophobicContact CE-CG 4.43Å; P206-E443 HydrophobicContact CG-CG 3.91Å; S441-E443 PolarHBondContact O-N 2.76Å; S441-E443 PolarHBondContact OG-N 2.68Å; E443-A445 PolarHBondContact O-N 3.24Å; E443-S470 VanDerWaalsContact OE1-CA 3.23Å; E443-S470 WeakPolarHBondContact OE1-CA 3.47Å; E443-S471 VanDerWaalsContact CD-OG 3.29Å; E443-S471 PolarHBondContact OE1-N 3.17Å; E443-S471 PolarHBondContact OE1-OG 3.35Å; E443-S471 VanDerWaalsContact OE2-CB 3.26Å; E443-S471 WeakPolarHBondContact OE2-CB 3.26Å; E443-S471 PolarHBondContact OE2-OG 2.62Å; E443-T697 HydrophobicContact CB-CG2 3.82Å; E443-T697 WeakPolarHBondContact O-CG2 3.14Å
444T92.1Very high95.7Very high24 Ų2415.8 Ų15.815%0.1478%0.077CC..  trans-61.2121.9179.4-54.60000110.4C392 S439 D446 T447 L448 V696C392-T444 HydrophobicContact CB-CG2 4.26Å; S439-T444 PolarHBondContact OG-OG1 3.5Å; S439-T444 VanDerWaalsContact OG-OG1 3.1Å; T444-D446 PolarHBondContact O-N 3Å; T444-T447 PolarHBondContact O-N 3.25Å; T444-L448 WeakPolarHBondContact O-CB 3.48Å; T444-L448 PolarHBondContact O-N 2.9Å; T444-V696 WeakPolarHBondContact CA-O 3.5Å
445A87Confident95.6Very high14 Ų1419.9 Ų19.912%0.11610%0.095CC..Hα-helixtrans-56.1-57.7-169.200000113E443 T447 L448 M449 V696E443-A445 PolarHBondContact O-N 3.24Å; A445-T447 VanDerWaalsContact C-N 3.31Å; A445-T447 PolarHBondContact O-N 3.07Å; A445-L448 PolarHBondContact O-N 3.19Å; A445-L448 VanDerWaalsContact O-N 3.13Å; A445-M449 WeakPolarHBondContact O-CG 3.45Å; A445-M449 PolarHBondContact O-N 3.44Å; A445-V696 PolarHBondContact N-O 3.07Å; A445-V696 VanDerWaalsContact N-O 3.16Å
446D94.4Very high95.5Very high43 Ų4327.1 Ų27.123%0.2313%0.129CC..Hα-helixtrans-59.5-40.7179.6-61.7-36.9000112.5A419 L423 T444 L448 M449 G450A419-D446 HydrophobicContact CB-CB 3.72Å; L423-D446 HydrophobicContact CD1-CB 4.41Å; T444-D446 PolarHBondContact O-N 3Å; D446-L448 VanDerWaalsContact C-N 3.35Å; D446-L448 PolarHBondContact O-N 3.16Å; D446-M449 PolarHBondContact O-N 3.47Å; D446-G450 PolarHBondContact O-N 3.49Å
447T97.5Very high95.4Very high1 Ų130.9 Ų30.91%0.00614%0.143CC..Hα-helixtrans-64.9-40.4178-50.80000111.4F437 T444 A445 G450 L451 I472F437-T447 HydrophobicContact CB-CG2 4.04Å; F437-T447 HydrophobicContact CD1-CG2 4.02Å; T444-T447 PolarHBondContact O-N 3.25Å; A445-T447 VanDerWaalsContact C-N 3.31Å; A445-T447 PolarHBondContact O-N 3.07Å; T447-G450 PolarHBondContact O-N 3.47Å; T447-L451 PolarHBondContact O-N 2.87Å; T447-I472 HydrophobicContact CG2-CD1 3.65Å
448L94.6Very high95.3Very high11 Ų1132.6 Ų32.66%0.05816%0.161CC..Hα-helixtrans-68.7-39.6177.2-179.861.3000111.7T444 A445 D446 L451 R452 I472T444-L448 WeakPolarHBondContact O-CB 3.48Å; T444-L448 PolarHBondContact O-N 2.9Å; A445-L448 PolarHBondContact O-N 3.19Å; A445-L448 VanDerWaalsContact O-N 3.13Å; D446-L448 VanDerWaalsContact C-N 3.35Å; D446-L448 PolarHBondContact O-N 3.16Å; L448-L451 HydrophobicContact CD1-CD2 4.16Å; L448-L451 WeakPolarHBondContact O-CB 3.46Å; L448-L451 PolarHBondContact O-N 2.93Å; L448-R452 PolarHBondContact O-N 3.36Å; L448-I472 HydrophobicContact CB-CG1 4.3Å; L448-I472 HydrophobicContact CD1-CG1 3.98Å
449M92.8Very high95.3Very high80 Ų8032.8 Ų32.839%0.39416%0.163SC..Hα-helixtrans-67.1-39.5173.8-66.9-54.716700111.3L423 A445 D446 L451 R452 Y453L423-M449 HydrophobicContact CD1-CB 3.72Å; L423-M449 HydrophobicContact CD2-CB 4.32Å; A445-M449 WeakPolarHBondContact O-CG 3.45Å; A445-M449 PolarHBondContact O-N 3.44Å; D446-M449 PolarHBondContact O-N 3.47Å; M449-L451 VanDerWaalsContact C-N 3.27Å; M449-L451 PolarHBondContact O-N 2.73Å; M449-R452 PolarHBondContact O-N 3.1Å; M449-Y453 VanDerWaalsContact O-CB 3.26Å; M449-Y453 WeakPolarHBondContact O-CB 3.44Å; M449-Y453 PolarHBondContact O-N 2.83Å
450G97.8Very high95.3Very high0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-58.8-37.7170.800000112.7F437 D446 T447 Y453 C454F437-G450 VanDerWaalsContact CE1-C 3.44Å; D446-G450 PolarHBondContact O-N 3.49Å; T447-G450 PolarHBondContact O-N 3.47Å; G450-Y453 WeakPolarHBondContact O-CB 3.23Å; G450-C454 PolarHBondContact O-N 3.43Å; G450-C454 PolarHBondContact O-SG 2.92Å
451L98.3Very high95.5Very high0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-61.4-56.3173.5168.662.1000111.5F437 T447 L448 M449 Y453 C454 K455 T461 I472 E475 T476F437-L451 HydrophobicContact CD1-CB 3.85Å; F437-L451 HydrophobicContact CD2-CB 4.22Å; F437-L451 HydrophobicContact CD2-CD1 3.64Å; F437-L451 HydrophobicContact CD2-CG 4.46Å; F437-L451 HydrophobicContact CE1-CB 3.8Å; F437-L451 HydrophobicContact CE2-CB 4.16Å; F437-L451 HydrophobicContact CE2-CD1 3.44Å; F437-L451 VanDerWaalsContact CE2-CD1 3.44Å; F437-L451 HydrophobicContact CE2-CG 4.41Å; F437-L451 HydrophobicContact CG-CB 4.09Å; F437-L451 HydrophobicContact CG-CD1 4.32Å; F437-L451 HydrophobicContact CZ-CB 3.96Å; F437-L451 HydrophobicContact CZ-CD1 3.99Å; T447-L451 PolarHBondContact O-N 2.87Å; L448-L451 HydrophobicContact CD1-CD2 4.16Å; L448-L451 WeakPolarHBondContact O-CB 3.46Å; L448-L451 PolarHBondContact O-N 2.93Å; M449-L451 VanDerWaalsContact C-N 3.27Å; M449-L451 PolarHBondContact O-N 2.73Å; L451-Y453 PolarHBondContact O-N 3.29Å; L451-C454 PolarHBondContact O-N 3.33Å; L451-K455 HydrophobicContact CD1-CD 4.16Å; L451-K455 HydrophobicContact CD1-CG 4.04Å; L451-K455 WeakPolarHBondContact O-CG 3.48Å; L451-K455 PolarHBondContact O-N 3.43Å; L451-T461 HydrophobicContact CD1-CG2 3.72Å; L451-I472 HydrophobicContact CD2-CB 4.42Å; L451-I472 HydrophobicContact CD2-CG1 4.34Å; L451-I472 HydrophobicContact CD2-CG2 4.35Å; L451-E475 HydrophobicContact CD2-CB 3.64Å; L451-T476 HydrophobicContact CD1-CG2 3.61Å; L451-T476 HydrophobicContact CD2-CG2 3.8Å; L451-T476 HydrophobicContact CG-CG2 4.38Å
452R95.6Very high95.7Very high78 Ų7831.8 Ų31.829%0.29416%0.157SC..Hα-helixtrans-58.6-40.8179.4-69.2171.6179.2174.1-1.6111.3L448 M449 C454 K455 E456 E475L448-R452 PolarHBondContact O-N 3.36Å; M449-R452 PolarHBondContact O-N 3.1Å; R452-C454 PolarHBondContact O-N 2.67Å; R452-K455 PolarHBondContact O-N 3.08Å; R452-E456 WeakPolarHBondContact O-CG 3.45Å; R452-E456 PolarHBondContact O-N 3.06Å; R452-E456 VanDerWaalsContact O-N 3.09Å; R452-E475 WeakPolarHBondContact CG-OE2 3.32Å; R452-E475 IonicContact CZ-OE1 2.73Å; R452-E475 IonicContact CZ-OE2 3.24Å; R452-E475 IonicContact NE-OE1 2.82Å; R452-E475 PolarHBondContact NE-OE1 2.77Å; R452-E475 IonicContact NE-OE2 3.97Å; R452-E475 PolarHBondContact NE-OE2 3.18Å; R452-E475 IonicContact NH2-OE1 3.71Å; R452-E475 PolarHBondContact NH2-OE1 3.32Å; R452-E475 IonicContact NH2-OE2 3.68Å
453Y97.8Very high96Very high27 Ų2731.9 Ų31.911%0.10616%0.158CC..Hα-helixtrans-54.7-53.7172.6179.4-80.8000110.7F422 L423 N426 T427 V429 M449 G450 L451 K455 E456 R457F422-Y453 AromaticContact CE1-CD1 3.63Å; F422-Y453 HydrophobicContact CE1-CD1 3.63Å; F422-Y453 AromaticContact CE1-CE1 4Å; F422-Y453 HydrophobicContact CE1-CE1 4Å; F422-Y453 HydrophobicContact CE1-CG 4.34Å; F422-Y453 HydrophobicContact CZ-CD1 4.04Å; F422-Y453 HydrophobicContact CZ-CE1 4.1Å; L423-Y453 HydrophobicContact CD2-CD2 4.28Å; L423-Y453 HydrophobicContact CD2-CG 4.33Å; N426-Y453 PolarHBondContact O-OH 2.76Å; T427-Y453 WeakPolarHBondContact O-CE1 3.36Å; T427-Y453 PolarHBondContact O-OH 3.02Å; V429-Y453 HydrophobicContact CB-CE1 4.48Å; V429-Y453 HydrophobicContact CG2-CD1 4.34Å; V429-Y453 HydrophobicContact CG2-CE1 3.87Å; M449-Y453 VanDerWaalsContact O-CB 3.26Å; M449-Y453 WeakPolarHBondContact O-CB 3.44Å; M449-Y453 PolarHBondContact O-N 2.83Å; G450-Y453 WeakPolarHBondContact O-CB 3.23Å; L451-Y453 PolarHBondContact O-N 3.29Å; Y453-K455 VanDerWaalsContact C-N 3.34Å; Y453-K455 PolarHBondContact O-N 2.72Å; Y453-E456 PolarHBondContact O-N 3.33Å; Y453-R457 VanDerWaalsContact CA-NH1 3.31Å; Y453-R457 VanDerWaalsContact CD2-NH1 3.27Å; Y453-R457 VanDerWaalsContact CD2-NH2 3.25Å; Y453-R457 VanDerWaalsContact CZ-CZ 3.43Å; Y453-R457 VanDerWaalsContact CZ-NE 3.31Å; Y453-R457 WeakPolarHBondContact O-CD 3.5Å; Y453-R457 PolarHBondContact O-NH1 3.2Å
454C98.1Very high96.4Very high0 Ų031.2 Ų31.20%016%0.155CC..Hα-helixtrans-63.9-37.5-178.9-65.90000113.1V429 C435 F437 G450 L451 R452 E456 R457 G458 A459 T461V429-C454 HydrophobicContact CG1-CB 4.41Å; C435-C454 HydrophobicContact CB-CB 4.16Å; C435-C454 VanDerWaalsContact SG-SG 3.63Å; F437-C454 HydrophobicContact CZ-CB 3.9Å; G450-C454 PolarHBondContact O-N 3.43Å; G450-C454 PolarHBondContact O-SG 2.92Å; L451-C454 PolarHBondContact O-N 3.33Å; R452-C454 PolarHBondContact O-N 2.67Å; C454-E456 PolarHBondContact O-N 3.22Å; C454-R457 PolarHBondContact O-N 3.16Å; C454-R457 VanDerWaalsContact O-N 3.12Å; C454-G458 PolarHBondContact O-N 2.7Å; C454-A459 HydrophobicContact CB-CB 4.47Å; C454-A459 PolarHBondContact O-N 2.84Å; C454-T461 HydrophobicContact CB-CG2 4.39Å
455K96.6Very high96.7Very high87 Ų8730.4 Ų30.438%0.37815%0.15SC..Hα-helixtrans-61.4-42177-70.1-163.273.3156.90112.5L451 R452 Y453 R457 G458 T461 E475 D477L451-K455 HydrophobicContact CD1-CD 4.16Å; L451-K455 HydrophobicContact CD1-CG 4.04Å; L451-K455 WeakPolarHBondContact O-CG 3.48Å; L451-K455 PolarHBondContact O-N 3.43Å; R452-K455 PolarHBondContact O-N 3.08Å; Y453-K455 VanDerWaalsContact C-N 3.34Å; Y453-K455 PolarHBondContact O-N 2.72Å; K455-R457 PolarHBondContact O-N 2.95Å; K455-G458 WeakPolarHBondContact O-CA 3.19Å; K455-G458 PolarHBondContact O-N 2.87Å; K455-T461 HydrophobicContact CG-CG2 3.7Å; K455-E475 VanDerWaalsContact CD-O 3.32Å; K455-E475 WeakPolarHBondContact CD-O 2.9Å; K455-E475 WeakPolarHBondContact CE-O 3.27Å; K455-E475 PolarHBondContact NZ-O 3.19Å; K455-D477 IonicContact NZ-OD1 3.59Å
456E96.3Very high97.1Very high152 Ų15230.2 Ų30.271%0.7115%0.147SC*.Hα-helixtrans-60.3-27.7176.1-72.6173.7174.800112.8R452 Y453 C454 G458R452-E456 WeakPolarHBondContact O-CG 3.45Å; R452-E456 PolarHBondContact O-N 3.06Å; R452-E456 VanDerWaalsContact O-N 3.09Å; Y453-E456 PolarHBondContact O-N 3.33Å; C454-E456 PolarHBondContact O-N 3.22Å; E456-G458 VanDerWaalsContact C-N 3.33Å
457R97.6Very high96.8Very high81 Ų8130.4 Ų30.431%0.30615%0.15SC..THydrogen-bonded Turntrans-88.8-2176.5-7082.4179.7150.76.6112.6V429 R431 Y453 C454 K455V429-R457 HydrophobicContact CB-CB 4.09Å; V429-R457 HydrophobicContact CB-CG 4.29Å; V429-R457 HydrophobicContact CG1-CB 4.02Å; R431-R457 WeakPolarHBondContact CG-O 3.23Å; Y453-R457 VanDerWaalsContact CA-NH1 3.31Å; Y453-R457 VanDerWaalsContact CD2-NH1 3.27Å; Y453-R457 VanDerWaalsContact CD2-NH2 3.25Å; Y453-R457 VanDerWaalsContact CZ-CZ 3.43Å; Y453-R457 VanDerWaalsContact CZ-NE 3.31Å; Y453-R457 WeakPolarHBondContact O-CD 3.5Å; Y453-R457 PolarHBondContact O-NH1 3.2Å; C454-R457 PolarHBondContact O-N 3.16Å; C454-R457 VanDerWaalsContact O-N 3.12Å; K455-R457 PolarHBondContact O-N 2.95Å
458G96.5Very high96.2Very high36 Ų3635 Ų3537%0.37118%0.177SC..THydrogen-bonded Turntrans74.823.517500000114.8R431 C454 K455 E456R431-G458 WeakPolarHBondContact CA-O 3.48Å; C454-G458 PolarHBondContact O-N 2.7Å; K455-G458 WeakPolarHBondContact O-CA 3.19Å; K455-G458 PolarHBondContact O-N 2.87Å; E456-G458 VanDerWaalsContact C-N 3.33Å
459A98.3Very high95.5Very high5 Ų535.7 Ų35.74%0.04119%0.187CC..  trans-72.9152.8170.800000111V429 F430 D433 C454V429-A459 HydrophobicContact CG1-CB 3.62Å; F430-A459 WeakPolarHBondContact O-CB 3.23Å; D433-A459 HydrophobicContact CB-CB 4.27Å; C454-A459 HydrophobicContact CB-CB 4.47Å; C454-A459 PolarHBondContact O-N 2.84Å
460L98.6Very high95.3Very high14 Ų1432 Ų327%0.07317%0.169CC..EExtended strand (participates in β ladder)trans-76128.1172.6-171.3157.4000109.1E380 I381 D433 V434 C435 V462E380-L460 HydrophobicContact CB-CD1 4.05Å; E380-L460 HydrophobicContact CG-CD1 3.74Å; I381-L460 HydrophobicContact CD1-CD2 4.07Å; I381-L460 HydrophobicContact CG1-CD1 3.94Å; I381-L460 HydrophobicContact CG1-CD2 3.72Å; D433-L460 PolarHBondContact O-N 3.09Å; D433-L460 VanDerWaalsContact O-N 3.14Å; V434-L460 WeakPolarHBondContact CA-O 3.36Å; V434-L460 HydrophobicContact CG1-CD2 4.06Å; V434-L460 HydrophobicContact CG2-CB 4.47Å; C435-L460 PolarHBondContact N-O 2.85Å; L460-V462 HydrophobicContact CD2-CG2 3.65Å
461T98.7Very high94.8Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-110.6130.6-172.761.40000112.7C435 F437 L451 C454 K455 T476 D477 C478C435-T461 WeakPolarHBondContact O-CA 3.47Å; F437-T461 HydrophobicContact CE2-CG2 3.9Å; L451-T461 HydrophobicContact CD1-CG2 3.72Å; C454-T461 HydrophobicContact CB-CG2 4.39Å; K455-T461 HydrophobicContact CG-CG2 3.7Å; T461-T476 WeakPolarHBondContact OG1-CA 3.24Å; T461-D477 PolarHBondContact N-OD2 2.81Å; T461-D477 PolarHBondContact O-N 3.08Å; T461-D477 VanDerWaalsContact O-N 3.14Å; T461-D477 VanDerWaalsContact OG1-CG 3.29Å; T461-D477 PolarHBondContact OG1-N 2.98Å; T461-D477 PolarHBondContact OG1-OD2 2.97Å; T461-C478 PolarHBondContact O-N 2.92Å
462V98.8Very high94.7Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-123.4118.5-177.6-171.50000110.8L374 I381 V434 C435 F436 F437 L460 I464 C478L374-V462 HydrophobicContact CD2-CG1 3.73Å; I381-V462 HydrophobicContact CD1-CG2 4.12Å; V434-V462 HydrophobicContact CG1-CG2 3.71Å; C435-V462 PolarHBondContact O-N 3.29Å; F436-V462 CarbonylContact C-O 3.36Å; F436-V462 WeakPolarHBondContact CA-O 3.37Å; F436-V462 HydrophobicContact CD1-CB 3.87Å; F436-V462 HydrophobicContact CD1-CG1 3.85Å; F436-V462 HydrophobicContact CE1-CB 3.85Å; F436-V462 HydrophobicContact CE1-CG1 3.56Å; F436-V462 HydrophobicContact CE1-CG2 4.28Å; F436-V462 HydrophobicContact CE2-CG2 4.37Å; F436-V462 HydrophobicContact CG-CB 4.23Å; F436-V462 HydrophobicContact CZ-CB 4.18Å; F436-V462 HydrophobicContact CZ-CG1 4.18Å; F436-V462 HydrophobicContact CZ-CG2 4.12Å; F437-V462 PolarHBondContact N-O 3.01Å; L460-V462 HydrophobicContact CD2-CG2 3.65Å; V462-I464 HydrophobicContact CG1-CD1 4.23Å; V462-C478 CarbonylContact C-O 3.54Å; V462-C478 VanDerWaalsContact CA-O 3.31Å; V462-C478 WeakPolarHBondContact CA-O 3.42Å
463G98.5Very high94.6Very high1 Ų130.1 Ų30.11%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-91.9122.9177.500000112.8C478 G479 V480G463-C478 PolarHBondContact N-O 2.62Å; G463-G479 CarbonylContact O-C 3.5Å; G463-G479 WeakPolarHBondContact O-CA 3.27Å; G463-V480 PolarHBondContact O-N 3.17Å
464I98.6Very high94.2Very high2 Ų233.4 Ų33.41%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-109.198.2170.2-51.5-61.8000108.4F436 F437 L438 S439 V462 V480 I482 Q499 L503F436-I464 HydrophobicContact CD1-CD1 4.17Å; F436-I464 HydrophobicContact CD1-CG1 3.92Å; F436-I464 HydrophobicContact CE1-CD1 4.28Å; F437-I464 PolarHBondContact O-N 2.77Å; L438-I464 HydrophobicContact CD2-CB 3.57Å; L438-I464 HydrophobicContact CD2-CG1 3.55Å; L438-I464 HydrophobicContact CD2-CG2 4.18Å; S439-I464 PolarHBondContact N-O 2.93Å; S439-I464 VanDerWaalsContact N-O 3.08Å; V462-I464 HydrophobicContact CG1-CD1 4.23Å; I464-V480 WeakPolarHBondContact CA-O 3.42Å; I464-V480 HydrophobicContact CD1-CB 3.74Å; I464-V480 HydrophobicContact CD1-CG2 3.89Å; I464-I482 HydrophobicContact CG2-CG2 3.49Å; I464-I482 VanDerWaalsContact CG2-CG2 3.49Å; I464-Q499 HydrophobicContact CG2-CG 4.37Å; I464-L503 HydrophobicContact CG1-CD2 4.4Å
465T97.8Very high93.8Very high6 Ų635.8 Ų35.84%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-129.7160.8-166.662.50000113.3S439 I472 V480 H481 I482S439-T465 VanDerWaalsContact O-CA 3.26Å; S439-T465 WeakPolarHBondContact O-CA 3.44Å; T465-I472 HydrophobicContact CG2-CB 4.17Å; T465-I472 HydrophobicContact CG2-CG2 3.76Å; T465-V480 PolarHBondContact N-O 2.72Å; T465-V480 VanDerWaalsContact N-O 3.09Å; T465-H481 CarbonylContact O-C 3.44Å; T465-H481 VanDerWaalsContact O-CA 3.25Å; T465-H481 WeakPolarHBondContact O-CA 3.29Å; T465-I482 PolarHBondContact O-N 3.31Å
466N95.9Very high93.9Very high10 Ų1032.2 Ų32.25%0.05318%0.177CC..SBendtrans-118.310.2175.2-163.154.9000113.2Q440 H481 I482 N483 A484 G485Q440-N466 HydrophobicContact CG-CB 4.12Å; Q440-N466 CarbonylContact O-C 3.55Å; Q440-N466 WeakPolarHBondContact O-CB 2.86Å; Q440-N466 PolarHBondContact O-N 2.81Å; Q440-N466 VanDerWaalsContact O-N 3.17Å; N466-H481 PolarHBondContact O-NE2 3.43Å; N466-H481 VanDerWaalsContact O-NE2 3.17Å; N466-I482 HydrophobicContact CB-CD1 3.63Å; N466-I482 HydrophobicContact CB-CG1 3.62Å; N466-I482 WeakPolarHBondContact OD1-CG1 3.07Å; N466-N483 PolarHBondContact OD1-N 2.84Å; N466-A484 PolarHBondContact OD1-N 3.16Å; N466-G485 PolarHBondContact ND2-O 3.26Å
467T89.3Confident93.9Very high48 Ų4828.3 Ų28.329%0.29416%0.161SC..SBendtrans-128.7111.3-179.4-57.90000108.9Q440 S441 S470Q440-T467 PolarHBondContact O-OG1 3.09Å; S441-T467 WeakPolarHBondContact O-CB 3.45Å; S441-T467 PolarHBondContact O-OG1 2.56Å; T467-S470 WeakPolarHBondContact O-CB 3.42Å; T467-S470 PolarHBondContact O-N 3.14Å; T467-S470 PolarHBondContact O-OG 2.87Å
468V84Confident93.9Very high96 Ų9624.9 Ų24.958%0.58215%0.15SC*.THydrogen-bonded Turntrans-63.1133.9177.5-1790000109.8S470V468-S470 PolarHBondContact O-N 2.79Å
469G80.4Confident94Very high26 Ų2624.2 Ų24.227%0.26814%0.143SC..THydrogen-bonded Turntrans74.48.3177.600000114.6S473 R474G469-S473 PolarHBondContact N-OG 3.29Å; G469-R474 WeakPolarHBondContact O-CD 3.39Å; G469-R474 PolarHBondContact O-NE 3.35Å
470S88.1Confident94Very high2 Ų224.4 Ų24.41%0.01414%0.143CC..  trans-61.7157.317158.30000112.1S441 E443 T467 V468 I472 S473 R474S441-S470 WeakPolarHBondContact O-CB 3.44Å; E443-S470 VanDerWaalsContact OE1-CA 3.23Å; E443-S470 WeakPolarHBondContact OE1-CA 3.47Å; T467-S470 WeakPolarHBondContact O-CB 3.42Å; T467-S470 PolarHBondContact O-N 3.14Å; T467-S470 PolarHBondContact O-OG 2.87Å; V468-S470 PolarHBondContact O-N 2.79Å; S470-I472 PolarHBondContact O-N 3.2Å; S470-S473 PolarHBondContact N-OG 3.37Å; S470-S473 PolarHBondContact O-N 2.93Å; S470-S473 VanDerWaalsContact O-N 3.11Å; S470-S473 PolarHBondContact O-OG 3.44Å; S470-S473 WeakPolarHBondContact OG-CB 3.42Å; S470-S473 PolarHBondContact OG-OG 3.1Å; S470-S473 VanDerWaalsContact OG-OG 3.14Å; S470-R474 WeakPolarHBondContact O-CG 3.3Å; S470-R474 PolarHBondContact O-N 3.2Å
471S88Confident93.9Very high2 Ų226.2 Ų26.21%0.01415%0.151CC..Hα-helixtrans-54.7-48.4-179-55.80000112G442 E443 S473 R474 E475G442-S471 PolarHBondContact O-N 2.81Å; E443-S471 VanDerWaalsContact CD-OG 3.29Å; E443-S471 PolarHBondContact OE1-N 3.17Å; E443-S471 PolarHBondContact OE1-OG 3.35Å; E443-S471 VanDerWaalsContact OE2-CB 3.26Å; E443-S471 WeakPolarHBondContact OE2-CB 3.26Å; E443-S471 PolarHBondContact OE2-OG 2.62Å; S471-S473 PolarHBondContact O-N 3Å; S471-R474 PolarHBondContact O-N 3.04Å; S471-E475 WeakPolarHBondContact O-CB 3.34Å; S471-E475 WeakPolarHBondContact O-CG 2.99Å; S471-E475 PolarHBondContact O-N 3.31Å
472I95.1Very high93.9Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-59.5-45.5176-69.1172.3000111.1F437 G442 T447 L448 L451 T465 S470 R474 E475 T476F437-I472 HydrophobicContact CB-CG2 3.93Å; G442-I472 WeakPolarHBondContact O-CB 3.4Å; G442-I472 WeakPolarHBondContact O-CG1 3.41Å; G442-I472 PolarHBondContact O-N 2.99Å; T447-I472 HydrophobicContact CG2-CD1 3.65Å; L448-I472 HydrophobicContact CB-CG1 4.3Å; L448-I472 HydrophobicContact CD1-CG1 3.98Å; L451-I472 HydrophobicContact CD2-CB 4.42Å; L451-I472 HydrophobicContact CD2-CG1 4.34Å; L451-I472 HydrophobicContact CD2-CG2 4.35Å; T465-I472 HydrophobicContact CG2-CB 4.17Å; T465-I472 HydrophobicContact CG2-CG2 3.76Å; S470-I472 PolarHBondContact O-N 3.2Å; I472-R474 VanDerWaalsContact C-N 3.28Å; I472-R474 PolarHBondContact O-N 2.98Å; I472-E475 PolarHBondContact O-N 3.43Å; I472-T476 HydrophobicContact CG2-CG2 4.15Å; I472-T476 VanDerWaalsContact O-CG2 3.26Å; I472-T476 WeakPolarHBondContact O-CG2 3.46Å; I472-T476 PolarHBondContact O-N 3.47Å; I472-T476 VanDerWaalsContact O-N 3.09Å; I472-T476 PolarHBondContact O-OG1 2.82Å
473S93.4Very high93.7Very high38 Ų3829.1 Ų29.127%0.26617%0.167SC..Hα-helixtrans-64.8-29.5-178.473.10000114G469 S470 S471G469-S473 PolarHBondContact N-OG 3.29Å; S470-S473 PolarHBondContact N-OG 3.37Å; S470-S473 PolarHBondContact O-N 2.93Å; S470-S473 VanDerWaalsContact O-N 3.11Å; S470-S473 PolarHBondContact O-OG 3.44Å; S470-S473 WeakPolarHBondContact OG-CB 3.42Å; S470-S473 PolarHBondContact OG-OG 3.1Å; S470-S473 VanDerWaalsContact OG-OG 3.14Å; S471-S473 PolarHBondContact O-N 3Å
474R88.8Confident93.6Very high96 Ų9629.2 Ų29.236%0.36217%0.168SC..Hα-helixtrans-84.7-35.2179-70.4-175.8-65.9175.5-0.7112.5G469 S470 S471 I472G469-R474 WeakPolarHBondContact O-CD 3.39Å; G469-R474 PolarHBondContact O-NE 3.35Å; S470-R474 WeakPolarHBondContact O-CG 3.3Å; S470-R474 PolarHBondContact O-N 3.2Å; S471-R474 PolarHBondContact O-N 3.04Å; I472-R474 VanDerWaalsContact C-N 3.28Å; I472-R474 PolarHBondContact O-N 2.98Å
475E91.5Very high93.3Very high49 Ų4929.9 Ų29.923%0.22918%0.175CC..Hα-helixtrans-84.8-20.6-175.8-71.7-176.4-134.700112.8L451 R452 K455 S471 I472L451-E475 HydrophobicContact CD2-CB 3.64Å; R452-E475 WeakPolarHBondContact CG-OE2 3.32Å; R452-E475 IonicContact CZ-OE1 2.73Å; R452-E475 IonicContact CZ-OE2 3.24Å; R452-E475 IonicContact NE-OE1 2.82Å; R452-E475 PolarHBondContact NE-OE1 2.77Å; R452-E475 IonicContact NE-OE2 3.97Å; R452-E475 PolarHBondContact NE-OE2 3.18Å; R452-E475 IonicContact NH2-OE1 3.71Å; R452-E475 PolarHBondContact NH2-OE1 3.32Å; R452-E475 IonicContact NH2-OE2 3.68Å; K455-E475 VanDerWaalsContact CD-O 3.32Å; K455-E475 WeakPolarHBondContact CD-O 2.9Å; K455-E475 WeakPolarHBondContact CE-O 3.27Å; K455-E475 PolarHBondContact NZ-O 3.19Å; S471-E475 WeakPolarHBondContact O-CB 3.34Å; S471-E475 WeakPolarHBondContact O-CG 2.99Å; S471-E475 PolarHBondContact O-N 3.31Å; I472-E475 PolarHBondContact O-N 3.43Å
476T97.3Very high93Very high12 Ų1231 Ų317%0.07418%0.182CC..SBendtrans-75151.217550.60000113F437 L451 T461 I472 C478F437-T476 HydrophobicContact CD2-CG2 4.15Å; L451-T476 HydrophobicContact CD1-CG2 3.61Å; L451-T476 HydrophobicContact CD2-CG2 3.8Å; L451-T476 HydrophobicContact CG-CG2 4.38Å; T461-T476 WeakPolarHBondContact OG1-CA 3.24Å; I472-T476 HydrophobicContact CG2-CG2 4.15Å; I472-T476 VanDerWaalsContact O-CG2 3.26Å; I472-T476 WeakPolarHBondContact O-CG2 3.46Å; I472-T476 PolarHBondContact O-N 3.47Å; I472-T476 VanDerWaalsContact O-N 3.09Å; I472-T476 PolarHBondContact O-OG1 2.82Å; T476-C478 WeakPolarHBondContact CB-O 3.3Å; T476-C478 PolarHBondContact OG1-O 3.33Å
477D97.6Very high92.7Very high70 Ų7030.9 Ų30.937%0.37418%0.181SC..SBendtrans-67.4-38179.6-52.4-55.3000111.8K455 T461K455-D477 IonicContact NZ-OD1 3.59Å; T461-D477 PolarHBondContact N-OD2 2.81Å; T461-D477 PolarHBondContact O-N 3.08Å; T461-D477 VanDerWaalsContact O-N 3.14Å; T461-D477 VanDerWaalsContact OG1-CG 3.29Å; T461-D477 PolarHBondContact OG1-N 2.98Å; T461-D477 PolarHBondContact OG1-OD2 2.97Å
478C97.8Very high92.8Very high10 Ų1029 Ų297%0.06817%0.17CC..EExtended strand (participates in β ladder)trans-146.2173.4171.7600000111.2G373 L374 H377 T461 V462 G463 T476G373-C478 WeakPolarHBondContact O-CB 3.18Å; L374-C478 HydrophobicContact CD2-CB 4.07Å; H377-C478 HydrophobicContact CB-CB 4.19Å; T461-C478 PolarHBondContact O-N 2.92Å; V462-C478 CarbonylContact C-O 3.54Å; V462-C478 VanDerWaalsContact CA-O 3.31Å; V462-C478 WeakPolarHBondContact CA-O 3.42Å; G463-C478 PolarHBondContact N-O 2.62Å; T476-C478 WeakPolarHBondContact CB-O 3.3Å; T476-C478 PolarHBondContact OG1-O 3.33Å
479G97.4Very high93Very high22 Ų2224.5 Ų24.523%0.22714%0.142CC..EExtended strand (participates in β ladder)trans-173.5171.1-178.200000115.6G373 G463G373-G479 CarbonylContact C-O 3.59Å; G373-G479 WeakPolarHBondContact CA-O 3.47Å; G463-G479 CarbonylContact O-C 3.5Å; G463-G479 WeakPolarHBondContact O-CA 3.27Å
480V97.9Very high93.4Very high8 Ų824 Ų245%0.04813%0.134CC..EExtended strand (participates in β ladder)trans-127.4118.8177.3-175.80000108.5L371 L374 G463 I464 T465 I482L371-V480 HydrophobicContact CB-CG2 4.34Å; L371-V480 HydrophobicContact CD1-CG2 4.11Å; L371-V480 HydrophobicContact CD2-CG1 4.18Å; L374-V480 HydrophobicContact CD1-CG2 3.88Å; L374-V480 HydrophobicContact CD2-CG2 4.13Å; L374-V480 HydrophobicContact CG-CG2 3.84Å; G463-V480 PolarHBondContact O-N 3.17Å; I464-V480 WeakPolarHBondContact CA-O 3.42Å; I464-V480 HydrophobicContact CD1-CB 3.74Å; I464-V480 HydrophobicContact CD1-CG2 3.89Å; T465-V480 PolarHBondContact N-O 2.72Å; T465-V480 VanDerWaalsContact N-O 3.09Å; V480-I482 PolarHBondContact O-N 3.37Å
481H97.6Very high93.7Very high52 Ų5223.9 Ų23.924%0.24113%0.133CC..EExtended strand (participates in β ladder)trans-76.9115166.5-174.7-98.6000109.1R361 T465 N466 N483R361-H481 VanDerWaalsContact CZ-O 3.26Å; R361-H481 PolarHBondContact NH1-O 3.3Å; R361-H481 PolarHBondContact NH2-O 2.98Å; T465-H481 CarbonylContact O-C 3.44Å; T465-H481 VanDerWaalsContact O-CA 3.25Å; T465-H481 WeakPolarHBondContact O-CA 3.29Å; N466-H481 PolarHBondContact O-NE2 3.43Å; N466-H481 VanDerWaalsContact O-NE2 3.17Å; H481-N483 WeakPolarHBondContact ND1-CA 3.46Å; H481-N483 PolarHBondContact ND1-N 3.24Å; H481-N483 PolarHBondContact O-N 3Å; H481-N483 VanDerWaalsContact O-N 3.15Å
482I97.8Very high94.1Very high0 Ų024.5 Ų24.50%014%0.137CC..  trans-64.5-24.6-17472.4-177.4000112.2T357 I464 T465 N466 V480 A484 A495 Q499 S502T357-I482 VanDerWaalsContact CA-O 3.27Å; T357-I482 WeakPolarHBondContact CA-O 3.43Å; T357-I482 WeakPolarHBondContact CB-O 3.44Å; T357-I482 WeakPolarHBondContact CG2-O 3.22Å; T357-I482 PolarHBondContact OG1-O 3.25Å; I464-I482 HydrophobicContact CG2-CG2 3.49Å; I464-I482 VanDerWaalsContact CG2-CG2 3.49Å; T465-I482 PolarHBondContact O-N 3.31Å; N466-I482 HydrophobicContact CB-CD1 3.63Å; N466-I482 HydrophobicContact CB-CG1 3.62Å; N466-I482 WeakPolarHBondContact OD1-CG1 3.07Å; V480-I482 PolarHBondContact O-N 3.37Å; I482-A484 HydrophobicContact CD1-CB 4.26Å; I482-A484 HydrophobicContact CG1-CB 4.2Å; I482-A484 PolarHBondContact O-N 3.06Å; I482-A495 HydrophobicContact CD1-CB 4.08Å; I482-Q499 HydrophobicContact CD1-CG 3.93Å; I482-Q499 HydrophobicContact CG2-CG 4.18Å; I482-S502 WeakPolarHBondContact CG2-OG 3.41Å
483N95.6Very high94.3Very high61 Ų6124.5 Ų24.533%0.32614%0.137SC..  trans6238.3174.3-16142.3000114.2N356 N466 H481 G485N356-N483 WeakPolarHBondContact CB-O 3.3Å; N356-N483 PolarHBondContact O-ND2 3.46Å; N466-N483 PolarHBondContact OD1-N 2.84Å; H481-N483 WeakPolarHBondContact ND1-CA 3.46Å; H481-N483 PolarHBondContact ND1-N 3.24Å; H481-N483 PolarHBondContact O-N 3Å; H481-N483 VanDerWaalsContact O-N 3.15Å; N483-G485 PolarHBondContact O-N 2.85Å
484A95.5Very high94.5Very high4 Ų422.9 Ų22.93%0.03313%0.126CC..  trans-76.3-6.3174.400000112.8N466 I482 K494 S498N466-A484 PolarHBondContact OD1-N 3.16Å; I482-A484 HydrophobicContact CD1-CB 4.26Å; I482-A484 HydrophobicContact CG1-CB 4.2Å; I482-A484 PolarHBondContact O-N 3.06Å; A484-K494 HydrophobicContact CB-CG 4.34Å; A484-K494 PolarHBondContact O-NZ 3.12Å; A484-S498 WeakPolarHBondContact CB-OG 3.41Å
485G92.4Very high94.9Very high15 Ų1518.3 Ų18.316%0.15511%0.109CC..  trans75.6171.8-165.600000112.2N466 N483 E487N466-G485 PolarHBondContact ND2-O 3.26Å; N483-G485 PolarHBondContact O-N 2.85Å; G485-E487 PolarHBondContact O-N 3.23Å
486P90.9Very high95.3Very high30 Ų3016 Ų1620%0.19510%0.098CC..  trans-51.8134174.8-24.731.8000111.7M329 Q333 I334 K494M329-P486 HydrophobicContact CE-CB 4.06Å; M329-P486 HydrophobicContact CE-CG 3.56Å; M329-P486 HydrophobicContact CG-CG 3.96Å; M329-P486 HydrophobicContact SD-CG 4.05Å; Q333-P486 HydrophobicContact CB-CG 4.03Å; I334-P486 HydrophobicContact CG2-CB 3.77Å; I334-P486 HydrophobicContact CG2-CG 4.08Å; P486-K494 WeakPolarHBondContact O-CE 3.32Å; P486-K494 PolarHBondContact O-NZ 3.21Å
487E91.3Very high95.3Very high7 Ų715.4 Ų15.43%0.0339%0.094CC..  trans-111.7124.4170.8-159.6-179.5-118.900105.5E346 G485 S492 T493 K494 A495 K694E346-E487 HydrophobicContact CG-CG 4.45Å; E346-E487 WeakPolarHBondContact OE2-CG 3.44Å; G485-E487 PolarHBondContact O-N 3.23Å; E487-S492 PolarHBondContact OE1-OG 2.73Å; E487-S492 PolarHBondContact OE2-OG 3.12Å; E487-S492 VanDerWaalsContact OE2-OG 3.08Å; E487-T493 PolarHBondContact OE1-N 3.14Å; E487-K494 HydrophobicContact CG-CG 4.27Å; E487-K494 PolarHBondContact OE1-N 2.84Å; E487-A495 WeakPolarHBondContact OE1-CB 3.47Å; E487-A495 PolarHBondContact OE1-N 3.35Å; E487-K694 WeakPolarHBondContact O-CE 3.47Å; E487-K694 PolarHBondContact O-NZ 2.96Å; E487-K694 IonicContact OE2-NZ 3.56Å
488V90Very high95.4Very high10 Ų1012.1 Ų12.16%0.0618%0.076CC..  trans-107.4-38-177.4-178.50000110.7Y32 I334 F342 E346 V490Y32-V488 WeakPolarHBondContact CB-O 3.36Å; Y32-V488 HydrophobicContact CD1-CG1 3.81Å; Y32-V488 HydrophobicContact CG-CG1 3.84Å; I334-V488 HydrophobicContact CB-CG2 4.45Å; I334-V488 HydrophobicContact CG2-CG2 4.34Å; F342-V488 HydrophobicContact CB-CB 4.14Å; F342-V488 HydrophobicContact CB-CG1 4.42Å; F342-V488 HydrophobicContact CD1-CB 3.71Å; F342-V488 HydrophobicContact CD1-CG1 4.02Å; F342-V488 HydrophobicContact CD1-CG2 4.07Å; F342-V488 HydrophobicContact CD2-CB 4.09Å; F342-V488 HydrophobicContact CD2-CG1 3.56Å; F342-V488 HydrophobicContact CE1-CB 4.06Å; F342-V488 HydrophobicContact CE1-CG1 4.11Å; F342-V488 HydrophobicContact CE1-CG2 4.04Å; F342-V488 HydrophobicContact CE2-CB 4.41Å; F342-V488 HydrophobicContact CE2-CG1 3.65Å; F342-V488 HydrophobicContact CG-CB 3.72Å; F342-V488 HydrophobicContact CG-CG1 3.74Å; F342-V488 HydrophobicContact CZ-CB 4.4Å; F342-V488 HydrophobicContact CZ-CG1 3.93Å; E346-V488 WeakPolarHBondContact OE1-CA 3.45Å; E346-V488 PolarHBondContact OE1-N 2.95Å; V488-V490 PolarHBondContact O-N 3.07Å
489G89.2Confident95.4Very high0 Ų011.6 Ų11.60%07%0.073CC..SBendtrans-55.3139.4177.600000111.7E346 K694E346-G489 PolarHBondContact OE1-N 3.11Å; E346-G489 VanDerWaalsContact OE1-N 3.07Å; E346-G489 PolarHBondContact OE2-N 2.74Å; G489-K694 PolarHBondContact O-NZ 2.76Å
490V89.1Confident95.5Very high15 Ų1510.6 Ų10.69%0.0916%0.062CC..SBendtrans-64.4-43.7-176.2169.40000111.3V488 D687 P689 L692 K694V488-V490 PolarHBondContact O-N 3.07Å; V490-D687 VanDerWaalsContact CG2-O 3.26Å; V490-D687 WeakPolarHBondContact CG2-O 3.44Å; V490-P689 HydrophobicContact CB-CG 3.76Å; V490-P689 HydrophobicContact CG1-CG 3.49Å; V490-P689 VanDerWaalsContact CG1-CG 3.49Å; V490-P689 HydrophobicContact CG2-CG 4.41Å; V490-L692 HydrophobicContact CG1-CB 4.3Å; V490-K694 HydrophobicContact CG2-CB 4.47Å
491A93.3Very high95.5Very high0 Ų010.2 Ų10.20%06%0.06CC..SBendtrans-79122.9175.700000110.7M343 K576 I580M343-A491 HydrophobicContact SD-CB 4.35Å; A491-K576 HydrophobicContact CB-CD 4.12Å; A491-I580 HydrophobicContact CB-CG2 3.92Å
492S96.8Very high95.6Very high15 Ų157.7 Ų7.711%0.1055%0.049CC..  trans-66.6139.2179.2-169.20000112.6E487 A495E487-S492 PolarHBondContact OE1-OG 2.73Å; E487-S492 PolarHBondContact OE2-OG 3.12Å; E487-S492 VanDerWaalsContact OE2-OG 3.08Å; S492-A495 WeakPolarHBondContact OG-CB 3.39Å
493T98.4Very high95.6Very high0 Ų07.7 Ų7.70%05%0.049CC..SBendtrans-136.1-77.7-17954.80000110.9M343 E346 I347 E487 A495 Y496 T497M343-T493 HydrophobicContact CE-CG2 4.16Å; M343-T493 HydrophobicContact CG-CG2 4.4Å; E346-T493 WeakPolarHBondContact CB-OG1 3.12Å; I347-T493 HydrophobicContact CD1-CG2 4.3Å; I347-T493 HydrophobicContact CG1-CG2 3.68Å; E487-T493 PolarHBondContact OE1-N 3.14Å; T493-A495 VanDerWaalsContact C-N 3.27Å; T493-A495 PolarHBondContact O-N 3.33Å; T493-Y496 WeakPolarHBondContact O-CB 3.25Å; T493-Y496 PolarHBondContact O-N 3.47Å; T493-Y496 VanDerWaalsContact O-N 3.16Å; T493-T497 PolarHBondContact O-N 3.49Å
494K97.9Very high95.8Very high5 Ų54.8 Ų4.82%0.0223%0.033CC..Hα-helixtrans-65.7-27179.363.4-179.8-179.7-178.60113.5E346 E349 Q350 A484 P486 E487 T497 S498E346-K494 HydrophobicContact CB-CD 4.19Å; E346-K494 HydrophobicContact CB-CG 4.35Å; E346-K494 HydrophobicContact CG-CD 4.25Å; E349-K494 IonicContact OE2-NZ 3.53Å; E349-K494 PolarHBondContact OE2-NZ 3.28Å; Q350-K494 HydrophobicContact CG-CB 3.92Å; A484-K494 HydrophobicContact CB-CG 4.34Å; A484-K494 PolarHBondContact O-NZ 3.12Å; P486-K494 WeakPolarHBondContact O-CE 3.32Å; P486-K494 PolarHBondContact O-NZ 3.21Å; E487-K494 HydrophobicContact CG-CG 4.27Å; E487-K494 PolarHBondContact OE1-N 2.84Å; K494-T497 PolarHBondContact O-OG1 2.99Å; K494-S498 WeakPolarHBondContact O-CB 3.35Å; K494-S498 PolarHBondContact O-N 3.18Å; K494-S498 PolarHBondContact O-OG 2.7Å
495A97.9Very high96Very high0 Ų04.6 Ų4.60%03%0.031CC..Hα-helixtrans-69.2-35.3174.300000112Q440 I482 E487 S492 T493 S498 Q499Q440-A495 HydrophobicContact CB-CB 4.04Å; Q440-A495 HydrophobicContact CG-CB 3.45Å; Q440-A495 VanDerWaalsContact CG-CB 3.45Å; I482-A495 HydrophobicContact CD1-CB 4.08Å; E487-A495 WeakPolarHBondContact OE1-CB 3.47Å; E487-A495 PolarHBondContact OE1-N 3.35Å; S492-A495 WeakPolarHBondContact OG-CB 3.39Å; T493-A495 VanDerWaalsContact C-N 3.27Å; T493-A495 PolarHBondContact O-N 3.33Å; A495-S498 PolarHBondContact O-N 3.27Å; A495-Q499 VanDerWaalsContact O-CB 3.27Å; A495-Q499 WeakPolarHBondContact O-CB 3.24Å; A495-Q499 WeakPolarHBondContact O-CG 3Å; A495-Q499 PolarHBondContact O-N 2.96Å
496Y98.8Very high96.3Very high0 Ų04 Ų40%02%0.024CC..Hα-helixtrans-59.6-51.8173171.3-98.6000111.7T394 H397 A398 A401 T493 S498 Q499 F500 E572 V668T394-Y496 HydrophobicContact CG2-CD2 3.73Å; T394-Y496 HydrophobicContact CG2-CG 4.01Å; H397-Y496 HydrophobicContact CB-CE2 3.97Å; A398-Y496 HydrophobicContact CB-CD2 3.92Å; A398-Y496 HydrophobicContact CB-CE2 4.08Å; A401-Y496 WeakPolarHBondContact CB-OH 3.33Å; T493-Y496 WeakPolarHBondContact O-CB 3.25Å; T493-Y496 PolarHBondContact O-N 3.47Å; T493-Y496 VanDerWaalsContact O-N 3.16Å; Y496-S498 VanDerWaalsContact C-N 3.34Å; Y496-S498 PolarHBondContact O-N 3.49Å; Y496-Q499 PolarHBondContact O-N 3.19Å; Y496-F500 HydrophobicContact CE1-CD2 4.33Å; Y496-F500 WeakPolarHBondContact O-CB 3.5Å; Y496-F500 PolarHBondContact O-N 3.45Å; Y496-E572 HydrophobicContact CD2-CG 4.43Å; Y496-E572 HydrophobicContact CE2-CG 4.31Å; Y496-V668 HydrophobicContact CD1-CG1 4.16Å; Y496-V668 HydrophobicContact CE1-CB 4.32Å; Y496-V668 HydrophobicContact CE1-CG1 3.8Å; Y496-V668 HydrophobicContact CE1-CG2 4.27Å
497T98.8Very high96.6Very high0 Ų02.5 Ų2.50%02%0.015CC..Hα-helixtrans-68.4-34.1-178.347.60000112.1Q350 T493 K494 F500 V501 I665 V668Q350-T497 PolarHBondContact OE1-OG1 3.04Å; T493-T497 PolarHBondContact O-N 3.49Å; K494-T497 PolarHBondContact O-OG1 2.99Å; T497-F500 WeakPolarHBondContact O-CB 3.41Å; T497-F500 PolarHBondContact O-N 2.85Å; T497-V501 WeakPolarHBondContact O-CG2 3.3Å; T497-V501 PolarHBondContact O-N 2.73Å; T497-I665 HydrophobicContact CG2-CG2 3.85Å; T497-V668 HydrophobicContact CG2-CG1 4.36Å
498S98.8Very high97Very high0 Ų02.2 Ų2.20%01%0.013CC..Hα-helixtrans-71.7-35.7174.3-58.30000112.9T357 A484 K494 A495 Y496 S502T357-S498 VanDerWaalsContact OG1-CB 3.26Å; T357-S498 WeakPolarHBondContact OG1-CB 3.4Å; T357-S498 PolarHBondContact OG1-OG 3.34Å; A484-S498 WeakPolarHBondContact CB-OG 3.41Å; K494-S498 WeakPolarHBondContact O-CB 3.35Å; K494-S498 PolarHBondContact O-N 3.18Å; K494-S498 PolarHBondContact O-OG 2.7Å; A495-S498 PolarHBondContact O-N 3.27Å; Y496-S498 VanDerWaalsContact C-N 3.34Å; Y496-S498 PolarHBondContact O-N 3.49Å; S498-S502 WeakPolarHBondContact O-CB 3.47Å; S498-S502 PolarHBondContact O-N 2.81Å; S498-S502 PolarHBondContact O-OG 3.12Å
499Q98.8Very high97.3Very high0 Ų02.1 Ų2.10%01%0.013CC..Hα-helixtrans-63.1-44170.3-78.5174-1800110.8S395 A398 I464 I482 A495 Y496 S502 L503S395-Q499 PolarHBondContact OG-NE2 3.31Å; S395-Q499 PolarHBondContact OG-OE1 3.04Å; A398-Q499 HydrophobicContact CB-CB 3.87Å; I464-Q499 HydrophobicContact CG2-CG 4.37Å; I482-Q499 HydrophobicContact CD1-CG 3.93Å; I482-Q499 HydrophobicContact CG2-CG 4.18Å; A495-Q499 VanDerWaalsContact O-CB 3.27Å; A495-Q499 WeakPolarHBondContact O-CB 3.24Å; A495-Q499 WeakPolarHBondContact O-CG 3Å; A495-Q499 PolarHBondContact O-N 2.96Å; Y496-Q499 PolarHBondContact O-N 3.19Å; Q499-S502 PolarHBondContact O-N 3.02Å; Q499-L503 WeakPolarHBondContact O-CG 3.27Å; Q499-L503 PolarHBondContact O-N 2.84Å
500F98.8Very high97.7Very high0 Ų03.1 Ų3.10%02%0.018CC..Hα-helixtrans-54.9-56.3174.4-162.1-42.6000110.5A401 T402 Y496 T497 S502 L503 V504 C661 I665A401-F500 HydrophobicContact CB-CD2 3.76Å; A401-F500 HydrophobicContact CB-CE2 3.46Å; A401-F500 VanDerWaalsContact CB-CE2 3.46Å; A401-F500 HydrophobicContact CB-CZ 4.11Å; T402-F500 HydrophobicContact CG2-CB 4.46Å; T402-F500 HydrophobicContact CG2-CD1 3.4Å; T402-F500 HydrophobicContact CG2-CD2 4.49Å; T402-F500 HydrophobicContact CG2-CE1 3.6Å; T402-F500 HydrophobicContact CG2-CG 3.86Å; T402-F500 HydrophobicContact CG2-CZ 4.25Å; Y496-F500 HydrophobicContact CE1-CD2 4.33Å; Y496-F500 WeakPolarHBondContact O-CB 3.5Å; Y496-F500 PolarHBondContact O-N 3.45Å; T497-F500 WeakPolarHBondContact O-CB 3.41Å; T497-F500 PolarHBondContact O-N 2.85Å; F500-S502 VanDerWaalsContact C-N 3.29Å; F500-S502 PolarHBondContact O-N 2.88Å; F500-L503 PolarHBondContact O-N 3.24Å; F500-V504 HydrophobicContact CD1-CG2 3.78Å; F500-V504 HydrophobicContact CE1-CG2 3.82Å; F500-V504 WeakPolarHBondContact O-CG2 3.31Å; F500-V504 PolarHBondContact O-N 3.12Å; F500-C661 WeakPolarHBondContact CE1-O 3.39Å; F500-C661 WeakPolarHBondContact CZ-O 3.24Å; F500-I665 HydrophobicContact CB-CD1 4.23Å; F500-I665 HydrophobicContact CB-CG1 4.25Å; F500-I665 HydrophobicContact CD1-CD1 3.96Å; F500-I665 HydrophobicContact CD1-CG1 4.14Å; F500-I665 HydrophobicContact CD2-CD1 4.36Å; F500-I665 HydrophobicContact CD2-CG1 3.68Å; F500-I665 HydrophobicContact CE1-CD1 4.47Å; F500-I665 HydrophobicContact CE1-CG1 4.46Å; F500-I665 HydrophobicContact CE2-CG1 3.99Å; F500-I665 HydrophobicContact CG-CD1 3.94Å; F500-I665 HydrophobicContact CG-CG1 3.78Å; F500-I665 HydrophobicContact CZ-CG1 4.41Å
501V98.9Very high98.1Very high0 Ų02.4 Ų2.40%01%0.013CC..Hα-helixtrans-60.4-38.7-179.4172.90000111.6V354 T357 M358 T497 L503 V504 M505 L528 L531 I665V354-V501 HydrophobicContact CG1-CG2 4.23Å; V354-V501 HydrophobicContact CG2-CG2 4.43Å; T357-V501 HydrophobicContact CG2-CB 4.12Å; T357-V501 HydrophobicContact CG2-CG1 3.91Å; M358-V501 HydrophobicContact CG-CG1 3.76Å; M358-V501 HydrophobicContact SD-CG1 4.3Å; T497-V501 WeakPolarHBondContact O-CG2 3.3Å; T497-V501 PolarHBondContact O-N 2.73Å; V501-L503 PolarHBondContact O-N 3.36Å; V501-V504 PolarHBondContact O-N 2.92Å; V501-M505 HydrophobicContact CG1-CE 4.25Å; V501-M505 HydrophobicContact CG1-CG 4.48Å; V501-M505 WeakPolarHBondContact O-CG 3.4Å; V501-M505 PolarHBondContact O-N 3.32Å; V501-L528 HydrophobicContact CG1-CD2 4.08Å; V501-L528 HydrophobicContact CG2-CD2 4.4Å; V501-L531 HydrophobicContact CG2-CD2 4.07Å; V501-I665 HydrophobicContact CG2-CD1 3.7Å
502S98.8Very high98.1Very high0 Ų06 Ų60%03%0.032CC..Hα-helixtrans-62.7-42.3178-61.10000112.9T357 I482 S498 Q499 F500 M505 F506T357-S502 WeakPolarHBondContact CG2-OG 3.2Å; I482-S502 WeakPolarHBondContact CG2-OG 3.41Å; S498-S502 WeakPolarHBondContact O-CB 3.47Å; S498-S502 PolarHBondContact O-N 2.81Å; S498-S502 PolarHBondContact O-OG 3.12Å; Q499-S502 PolarHBondContact O-N 3.02Å; F500-S502 VanDerWaalsContact C-N 3.29Å; F500-S502 PolarHBondContact O-N 2.88Å; S502-M505 PolarHBondContact O-N 3.25Å; S502-F506 PolarHBondContact O-N 3.27Å
503L98.8Very high98Very high0 Ų012.4 Ų12.40%07%0.065CC..Hα-helixtrans-70.2-34.3176.7-71.4169.9000112.2L389 T402 F436 L438 I464 Q499 F500 V501 F506 A507L389-L503 HydrophobicContact CD2-CD1 3.99Å; L389-L503 HydrophobicContact CD2-CD2 3.9Å; T402-L503 HydrophobicContact CG2-CB 3.94Å; T402-L503 HydrophobicContact CG2-CD1 4.34Å; T402-L503 VanDerWaalsContact OG1-CD1 3.25Å; T402-L503 WeakPolarHBondContact OG1-CD1 3.38Å; F436-L503 HydrophobicContact CD1-CD2 4.14Å; F436-L503 HydrophobicContact CE1-CD2 4.43Å; L438-L503 HydrophobicContact CD1-CD1 3.88Å; L438-L503 HydrophobicContact CD2-CD1 4.09Å; L438-L503 HydrophobicContact CD2-CD2 4.13Å; L438-L503 HydrophobicContact CD2-CG 4.46Å; I464-L503 HydrophobicContact CG1-CD2 4.4Å; Q499-L503 WeakPolarHBondContact O-CG 3.27Å; Q499-L503 PolarHBondContact O-N 2.84Å; F500-L503 PolarHBondContact O-N 3.24Å; V501-L503 PolarHBondContact O-N 3.36Å; L503-F506 WeakPolarHBondContact O-CB 3.41Å; L503-F506 PolarHBondContact O-N 2.89Å; L503-A507 PolarHBondContact O-N 2.96Å
504V98.9Very high97.9Very high0 Ų014.9 Ų14.90%08%0.075CC..Hα-helixtrans-65.6-43.1171.9174.10000111.2T402 V405 F500 V501 F506 A507 L508 I524 L662T402-V504 HydrophobicContact CG2-CG2 4.35Å; V405-V504 HydrophobicContact CG1-CG2 4.3Å; F500-V504 HydrophobicContact CD1-CG2 3.78Å; F500-V504 HydrophobicContact CE1-CG2 3.82Å; F500-V504 WeakPolarHBondContact O-CG2 3.31Å; F500-V504 PolarHBondContact O-N 3.12Å; V501-V504 PolarHBondContact O-N 2.92Å; V504-F506 VanDerWaalsContact C-N 3.29Å; V504-F506 PolarHBondContact O-N 3.21Å; V504-A507 WeakPolarHBondContact O-CB 3.35Å; V504-A507 PolarHBondContact O-N 3.36Å; V504-A507 VanDerWaalsContact O-N 3.16Å; V504-L508 HydrophobicContact CG1-CD1 4.26Å; V504-L508 HydrophobicContact CG1-CG 4.48Å; V504-L508 WeakPolarHBondContact O-CG 3.17Å; V504-L508 PolarHBondContact O-N 3.29Å; V504-I524 HydrophobicContact CG1-CG2 3.7Å; V504-L662 HydrophobicContact CB-CD2 4.47Å; V504-L662 HydrophobicContact CG1-CD2 4.14Å; V504-L662 HydrophobicContact CG2-CD2 3.99Å
505M98.8Very high97.8Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-60.5-39.7174.6-73.4-172.1-63.200111.8T357 M358 R361 V362 V369 L371 V501 S502 L508 M509T357-M505 HydrophobicContact CG2-CE 3.85Å; T357-M505 WeakPolarHBondContact O-CE 3.33Å; M358-M505 HydrophobicContact CG-SD 4.27Å; R361-M505 HydrophobicContact CB-SD 3.97Å; V362-M505 HydrophobicContact CG2-CG 3.96Å; V362-M505 HydrophobicContact CG2-SD 3.49Å; V362-M505 WeakPolarHBondContact CG2-SD 3.34Å; V369-M505 HydrophobicContact CG1-CB 3.86Å; V369-M505 HydrophobicContact CG1-CG 4.18Å; L371-M505 HydrophobicContact CD1-CB 4.18Å; L371-M505 HydrophobicContact CD2-CB 4.16Å; L371-M505 HydrophobicContact CD2-CE 3.91Å; L371-M505 HydrophobicContact CD2-SD 4.26Å; L371-M505 HydrophobicContact CG-CB 4.42Å; V501-M505 HydrophobicContact CG1-CE 4.25Å; V501-M505 HydrophobicContact CG1-CG 4.48Å; V501-M505 WeakPolarHBondContact O-CG 3.4Å; V501-M505 PolarHBondContact O-N 3.32Å; S502-M505 PolarHBondContact O-N 3.25Å; M505-L508 PolarHBondContact O-N 2.86Å; M505-M509 PolarHBondContact O-N 3.18Å; M505-M509 VanDerWaalsContact O-N 3.13Å
506F98.7Very high97.8Very high1 Ų127 Ų270%0.00415%0.146CC..Hα-helixtrans-60.7-46.7172.9167.8-102.3000111.5L371 L374 I378 I381 L387 L406 F436 S502 L503 V504 L508 M509 M510L371-F506 HydrophobicContact CD1-CB 4.02Å; L374-F506 HydrophobicContact CD1-CD2 3.71Å; L374-F506 HydrophobicContact CD1-CE2 4.37Å; I378-F506 HydrophobicContact CD1-CE2 4.17Å; I381-F506 HydrophobicContact CG2-CE2 3.93Å; I381-F506 HydrophobicContact CG2-CZ 3.81Å; L387-F506 HydrophobicContact CD1-CE1 4.03Å; L406-F506 HydrophobicContact CD2-CD1 3.65Å; L406-F506 HydrophobicContact CD2-CE1 3.97Å; F436-F506 HydrophobicContact CE1-CD1 4.25Å; F436-F506 HydrophobicContact CE1-CD2 4.41Å; F436-F506 HydrophobicContact CE1-CE1 4.35Å; F436-F506 HydrophobicContact CE1-CE2 4.5Å; F436-F506 HydrophobicContact CE1-CG 4.29Å; F436-F506 HydrophobicContact CE1-CZ 4.48Å; F436-F506 AromaticContact CE2-CE1 4Å; F436-F506 HydrophobicContact CE2-CE1 4Å; F436-F506 AromaticContact CE2-CZ 3.99Å; F436-F506 HydrophobicContact CE2-CZ 3.99Å; F436-F506 AromaticContact CZ-CD1 3.85Å; F436-F506 HydrophobicContact CZ-CD1 3.85Å; F436-F506 HydrophobicContact CZ-CD2 4.03Å; F436-F506 AromaticContact CZ-CE1 3.51Å; F436-F506 HydrophobicContact CZ-CE1 3.51Å; F436-F506 AromaticContact CZ-CE2 3.71Å; F436-F506 HydrophobicContact CZ-CE2 3.71Å; F436-F506 HydrophobicContact CZ-CG 4.1Å; F436-F506 AromaticContact CZ-CZ 3.44Å; F436-F506 HydrophobicContact CZ-CZ 3.44Å; F436-F506 VanDerWaalsContact CZ-CZ 3.44Å; S502-F506 PolarHBondContact O-N 3.27Å; L503-F506 WeakPolarHBondContact O-CB 3.41Å; L503-F506 PolarHBondContact O-N 2.89Å; V504-F506 VanDerWaalsContact C-N 3.29Å; V504-F506 PolarHBondContact O-N 3.21Å; F506-L508 VanDerWaalsContact C-N 3.29Å; F506-L508 PolarHBondContact O-N 3.2Å; F506-M509 WeakPolarHBondContact O-CB 2.97Å; F506-M509 PolarHBondContact O-N 2.85Å; F506-M509 VanDerWaalsContact O-N 3.12Å; F506-M510 HydrophobicContact CD1-CG 4.45Å; F506-M510 HydrophobicContact CD2-CG 4.33Å; F506-M510 HydrophobicContact CE1-CG 3.88Å; F506-M510 HydrophobicContact CE2-CG 3.74Å; F506-M510 HydrophobicContact CE2-SD 3.83Å; F506-M510 HydrophobicContact CZ-CE 4.44Å; F506-M510 HydrophobicContact CZ-CG 3.48Å; F506-M510 VanDerWaalsContact CZ-CG 3.48Å; F506-M510 HydrophobicContact CZ-SD 3.7Å; F506-M510 WeakPolarHBondContact O-CG 3.44Å; F506-M510 PolarHBondContact O-N 3.18Å; F506-M510 VanDerWaalsContact O-N 3.09Å
507A98.6Very high97.7Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-58.8-39.5176.900000112.5L406 L409 L503 V504 M509 M510 C511L406-A507 HydrophobicContact CD2-CB 3.85Å; L409-A507 HydrophobicContact CB-CB 4.11Å; L409-A507 HydrophobicContact CD1-CB 3.78Å; L409-A507 HydrophobicContact CG-CB 4.47Å; L503-A507 PolarHBondContact O-N 2.96Å; V504-A507 WeakPolarHBondContact O-CB 3.35Å; V504-A507 PolarHBondContact O-N 3.36Å; V504-A507 VanDerWaalsContact O-N 3.16Å; A507-M509 VanDerWaalsContact C-N 3.33Å; A507-M509 PolarHBondContact O-N 2.95Å; A507-M510 PolarHBondContact O-N 3.07Å; A507-C511 PolarHBondContact O-N 3.19Å; A507-C511 PolarHBondContact O-SG 3.1Å; A507-C511 VanDerWaalsContact O-SG 3.38Å
508L98.5Very high97.7Very high0 Ų031.7 Ų31.70%017%0.168CC..Hα-helixtrans-67.3-28.7176.5-71.4171.8000114.1V369 L409 V504 M505 F506 R521 I524 M525 L528V369-L508 HydrophobicContact CB-CB 4.41Å; V369-L508 HydrophobicContact CG2-CB 4.01Å; V369-L508 HydrophobicContact CG2-CD1 3.99Å; L409-L508 HydrophobicContact CD1-CD2 4.25Å; V504-L508 HydrophobicContact CG1-CD1 4.26Å; V504-L508 HydrophobicContact CG1-CG 4.48Å; V504-L508 WeakPolarHBondContact O-CG 3.17Å; V504-L508 PolarHBondContact O-N 3.29Å; M505-L508 PolarHBondContact O-N 2.86Å; F506-L508 VanDerWaalsContact C-N 3.29Å; F506-L508 PolarHBondContact O-N 3.2Å; L508-R521 HydrophobicContact CD2-CB 4Å; L508-R521 HydrophobicContact CD2-CG 3.95Å; L508-R521 PolarHBondContact O-NE 2.99Å; L508-R521 VanDerWaalsContact O-NE 3.1Å; L508-R521 PolarHBondContact O-NH2 3.12Å; L508-R521 VanDerWaalsContact O-NH2 3.12Å; L508-I524 HydrophobicContact CD1-CG2 4.06Å; L508-I524 HydrophobicContact CD2-CB 4.14Å; L508-I524 HydrophobicContact CD2-CD1 4.31Å; L508-I524 HydrophobicContact CD2-CG2 4.13Å; L508-I524 HydrophobicContact CG-CG2 4.39Å; L508-M525 HydrophobicContact CD1-CG 3.83Å; L508-L528 HydrophobicContact CD1-CD1 3.87Å
509M97.3Very high97.6Very high9 Ų938.4 Ų38.44%0.04420%0.2CC..Hα-helixtrans-74.2-35171.7-72.6-178.568.500111.8V369 L371 I378 M505 F506 A507 C511 D512V369-M509 HydrophobicContact CB-CG 4.14Å; V369-M509 HydrophobicContact CG1-CG 3.85Å; V369-M509 HydrophobicContact CG1-SD 4.46Å; V369-M509 WeakPolarHBondContact O-CG 3.26Å; L371-M509 HydrophobicContact CB-CE 4.35Å; L371-M509 HydrophobicContact CB-SD 3.47Å; L371-M509 WeakPolarHBondContact CB-SD 3.48Å; L371-M509 HydrophobicContact CD1-SD 3.7Å; L371-M509 HydrophobicContact CG-SD 3.43Å; L371-M509 WeakPolarHBondContact CG-SD 3.22Å; L371-M509 PolarHBondContact N-SD 2.91Å; I378-M509 HydrophobicContact CD1-CB 4.44Å; I378-M509 HydrophobicContact CD1-CE 4.43Å; I378-M509 HydrophobicContact CG1-CE 4.23Å; M505-M509 PolarHBondContact O-N 3.18Å; M505-M509 VanDerWaalsContact O-N 3.13Å; F506-M509 WeakPolarHBondContact O-CB 2.97Å; F506-M509 PolarHBondContact O-N 2.85Å; F506-M509 VanDerWaalsContact O-N 3.12Å; A507-M509 VanDerWaalsContact C-N 3.33Å; A507-M509 PolarHBondContact O-N 2.95Å; M509-C511 VanDerWaalsContact C-N 3.27Å; M509-C511 PolarHBondContact O-N 3.49Å; M509-D512 VanDerWaalsContact O-CG 3.27Å
510M97.3Very high97.6Very high21 Ų2140.1 Ų40.110%0.10321%0.206CC..Hα-helixtrans-69.5-22.6-177.7-71.5-67.4-67.600113.8I378 I381 Q382 T410 L412 F506 A507I378-M510 HydrophobicContact CD1-SD 3.7Å; I381-M510 HydrophobicContact CG2-CE 4.05Å; I381-M510 HydrophobicContact CG2-SD 3.77Å; Q382-M510 HydrophobicContact CB-CE 4.47Å; Q382-M510 HydrophobicContact CG-CE 3.88Å; Q382-M510 HydrophobicContact CG-SD 3.74Å; T410-M510 HydrophobicContact CG2-CB 3.77Å; T410-M510 HydrophobicContact CG2-CE 4.34Å; T410-M510 HydrophobicContact CG2-CG 3.92Å; L412-M510 HydrophobicContact CD1-CE 4.5Å; F506-M510 HydrophobicContact CD1-CG 4.45Å; F506-M510 HydrophobicContact CD2-CG 4.33Å; F506-M510 HydrophobicContact CE1-CG 3.88Å; F506-M510 HydrophobicContact CE2-CG 3.74Å; F506-M510 HydrophobicContact CE2-SD 3.83Å; F506-M510 HydrophobicContact CZ-CE 4.44Å; F506-M510 HydrophobicContact CZ-CG 3.48Å; F506-M510 VanDerWaalsContact CZ-CG 3.48Å; F506-M510 HydrophobicContact CZ-SD 3.7Å; F506-M510 WeakPolarHBondContact O-CG 3.44Å; F506-M510 PolarHBondContact O-N 3.18Å; F506-M510 VanDerWaalsContact O-N 3.09Å; A507-M510 PolarHBondContact O-N 3.07Å
511C97Very high97.6Very high0 Ų040.8 Ų40.80%021%0.209CC..THydrogen-bonded Turntrans-110.213.4-179.263.40000114.4L409 A507 M509 D513 R514 M517 R521L409-C511 HydrophobicContact CB-CB 4.32Å; L409-C511 WeakPolarHBondContact O-CB 3.3Å; A507-C511 PolarHBondContact O-N 3.19Å; A507-C511 PolarHBondContact O-SG 3.1Å; A507-C511 VanDerWaalsContact O-SG 3.38Å; M509-C511 VanDerWaalsContact C-N 3.27Å; M509-C511 PolarHBondContact O-N 3.49Å; C511-D513 VanDerWaalsContact C-N 3.33Å; C511-D513 PolarHBondContact O-N 2.92Å; C511-R514 WeakPolarHBondContact O-CB 3.48Å; C511-R514 PolarHBondContact O-N 3.4Å; C511-R514 VanDerWaalsContact O-N 3.1Å; C511-M517 HydrophobicContact CB-CB 4.31Å; C511-R521 WeakPolarHBondContact SG-CD 3.44Å; C511-R521 WeakPolarHBondContact SG-CG 3.41Å
512D94.2Very high97.6Very high75 Ų7545 Ų4540%0.40123%0.227SC..THydrogen-bonded Turntrans-63-34.4-172.368.1-9.6000114.6M509 R514 Q518 R521M509-D512 VanDerWaalsContact O-CG 3.27Å; D512-R514 VanDerWaalsContact C-N 3.3Å; D512-R514 PolarHBondContact O-N 3.11Å; D512-Q518 PolarHBondContact O-NE2 3.42Å; D512-R521 VanDerWaalsContact CA-CZ 3.48Å; D512-R521 VanDerWaalsContact CB-NH2 3.32Å
513D94.4Very high97.6Very high149 Ų14949.5 Ų49.580%0.79725%0.248SC*.THydrogen-bonded Turntrans-83.5-0.6177.7-16038.7000113.6C511C511-D513 VanDerWaalsContact C-N 3.33Å; C511-D513 PolarHBondContact O-N 2.92Å
514R95.5Very high97.6Very high53 Ų5349.5 Ų49.520%0.225%0.248CC..  trans-92.1110.1-177.7-59.9-153.6-77.1155.7-2.5111.4E408 L409 E411 C511 D512 S516 M517 Q518E408-R514 PolarHBondContact O-NH2 2.86Å; L409-R514 PolarHBondContact O-NH2 3.4Å; E411-R514 IonicContact OE1-CZ 2.76Å; E411-R514 IonicContact OE1-NH1 3.77Å; E411-R514 PolarHBondContact OE1-NH1 3.32Å; E411-R514 IonicContact OE2-CZ 2.74Å; E411-R514 IonicContact OE2-NH1 2.83Å; E411-R514 PolarHBondContact OE2-NH1 2.89Å; C511-R514 WeakPolarHBondContact O-CB 3.48Å; C511-R514 PolarHBondContact O-N 3.4Å; C511-R514 VanDerWaalsContact O-N 3.1Å; D512-R514 VanDerWaalsContact C-N 3.3Å; D512-R514 PolarHBondContact O-N 3.11Å; R514-S516 VanDerWaalsContact C-N 3.33Å; R514-S516 PolarHBondContact O-N 3.02Å; R514-M517 HydrophobicContact CB-CB 4.1Å; R514-M517 HydrophobicContact CB-CG 4.06Å; R514-M517 PolarHBondContact O-N 3.24Å; R514-M517 VanDerWaalsContact O-N 3.16Å; R514-Q518 PolarHBondContact O-NE2 3.06Å
515I96.8Very high97.6Very high158 Ų15849.6 Ų49.681%0.8125%0.249SC*.G310 helixtrans-58.3-43.5179.5-61.9174.9000111.6M517 Q518I515-M517 PolarHBondContact O-N 3.34Å; I515-Q518 WeakPolarHBondContact O-CG 3.39Å; I515-Q518 PolarHBondContact O-N 3.31Å
516S97.5Very high97.5Very high101 Ų10152.9 Ų52.971%0.70627%0.266SS*.G310 helixtrans-63.3-22.6-179.153.30000113.8R514R514-S516 VanDerWaalsContact C-N 3.33Å; R514-S516 PolarHBondContact O-N 3.02Å
517M97.6Very high97.5Very high32 Ų3253.1 Ų53.116%0.15827%0.268CS..G310 helixtrans-97.2-3.1-176.6-64.9-62.3-174.700113.2L409 C511 R514 I515 E519 R520 R521L409-M517 HydrophobicContact CD2-SD 4.48Å; C511-M517 HydrophobicContact CB-CB 4.31Å; R514-M517 HydrophobicContact CB-CB 4.1Å; R514-M517 HydrophobicContact CB-CG 4.06Å; R514-M517 PolarHBondContact O-N 3.24Å; R514-M517 VanDerWaalsContact O-N 3.16Å; I515-M517 PolarHBondContact O-N 3.34Å; M517-E519 PolarHBondContact O-N 2.83Å; M517-R520 PolarHBondContact O-N 2.83Å; M517-R521 WeakPolarHBondContact O-CB 3.42Å; M517-R521 VanDerWaalsContact O-CG 3.25Å; M517-R521 WeakPolarHBondContact O-CG 3.23Å; M517-R521 PolarHBondContact O-N 2.9Å
518Q97.4Very high97.6Very high66 Ų6653.1 Ų53.131%0.30827%0.268SS..Hα-helixtrans-62.1-41.6-173.5-65.5-55.8-48.100113.4D512 R514 I515 R521 K522D512-Q518 PolarHBondContact O-NE2 3.42Å; R514-Q518 PolarHBondContact O-NE2 3.06Å; I515-Q518 WeakPolarHBondContact O-CG 3.39Å; I515-Q518 PolarHBondContact O-N 3.31Å; Q518-R521 PolarHBondContact O-N 2.91Å; Q518-K522 WeakPolarHBondContact O-CB 3.45Å; Q518-K522 PolarHBondContact O-N 3.44Å
519E97.9Very high97.6Very high142 Ų14258 Ų5866%0.66429%0.289SS*.Hα-helixtrans-65.3-42.1176.9-68-54.9135.700111.6M517 K522 E523M517-E519 PolarHBondContact O-N 2.83Å; E519-K522 PolarHBondContact O-N 3.18Å; E519-E523 WeakPolarHBondContact O-CB 3.36Å; E519-E523 PolarHBondContact O-N 2.85Å
520R98.3Very high97.6Very high36 Ų3664.1 Ų64.114%0.13631%0.312CS..Hα-helixtrans-62.8-43.3175.6-178.655.3168.7165.11.7111.8E408 L409 M517 K522 E523 I524 V659 D660E408-R520 WeakPolarHBondContact OE1-CG 3.19Å; E408-R520 IonicContact OE1-CZ 2.86Å; E408-R520 IonicContact OE1-NE 3.66Å; E408-R520 PolarHBondContact OE1-NE 3.46Å; E408-R520 IonicContact OE1-NH2 3.2Å; E408-R520 IonicContact OE2-NE 2.67Å; E408-R520 IonicContact OE2-NH2 3.88Å; E408-R520 PolarHBondContact OE2-NH2 3.35Å; L409-R520 HydrophobicContact CD2-CG 4.24Å; M517-R520 PolarHBondContact O-N 2.83Å; R520-K522 VanDerWaalsContact C-N 3.34Å; R520-K522 PolarHBondContact O-N 3.33Å; R520-E523 WeakPolarHBondContact CD-OE2 3.41Å; R520-E523 IonicContact CZ-OE2 2.75Å; R520-E523 IonicContact NE-OE2 3.84Å; R520-E523 IonicContact NH1-OE1 3.62Å; R520-E523 IonicContact NH1-OE2 3.71Å; R520-E523 PolarHBondContact NH1-OE2 2.85Å; R520-E523 WeakPolarHBondContact O-CB 3.34Å; R520-E523 PolarHBondContact O-N 3.02Å; R520-I524 HydrophobicContact CG-CD1 4.14Å; R520-I524 VanDerWaalsContact O-CG1 3.27Å; R520-I524 WeakPolarHBondContact O-CG1 3.26Å; R520-I524 PolarHBondContact O-N 2.93Å; R520-V659 VanDerWaalsContact NH1-CG2 3.25Å; R520-D660 IonicContact CZ-OD1 2.72Å; R520-D660 VanDerWaalsContact CZ-OD1 3.24Å; R520-D660 IonicContact NH1-OD1 3.42Å; R520-D660 PolarHBondContact NH1-OD1 2.95Å; R520-D660 IonicContact NH2-OD1 3.26Å; R520-D660 PolarHBondContact NH2-OD1 2.97Å; R520-D660 IonicContact NH2-OD2 2.74Å; R520-D660 PolarHBondContact NH2-OD2 3.26Å
521R98.4Very high97.7Very high14 Ų1463.1 Ų63.15%0.05331%0.307CS..Hα-helixtrans-58.5-46.7174.1-71.1175.778.5-123.3-0.9111.3L508 C511 D512 M517 Q518 I524 M525L508-R521 HydrophobicContact CD2-CB 4Å; L508-R521 HydrophobicContact CD2-CG 3.95Å; L508-R521 PolarHBondContact O-NE 2.99Å; L508-R521 VanDerWaalsContact O-NE 3.1Å; L508-R521 PolarHBondContact O-NH2 3.12Å; L508-R521 VanDerWaalsContact O-NH2 3.12Å; C511-R521 WeakPolarHBondContact SG-CD 3.44Å; C511-R521 WeakPolarHBondContact SG-CG 3.41Å; D512-R521 VanDerWaalsContact CA-CZ 3.48Å; D512-R521 VanDerWaalsContact CB-NH2 3.32Å; M517-R521 WeakPolarHBondContact O-CB 3.42Å; M517-R521 VanDerWaalsContact O-CG 3.25Å; M517-R521 WeakPolarHBondContact O-CG 3.23Å; M517-R521 PolarHBondContact O-N 2.9Å; Q518-R521 PolarHBondContact O-N 2.91Å; R521-I524 PolarHBondContact O-N 3.21Å; R521-M525 VanDerWaalsContact C-CE 3.49Å; R521-M525 HydrophobicContact CB-CE 3.88Å; R521-M525 VanDerWaalsContact O-CE 3.24Å; R521-M525 WeakPolarHBondContact O-CE 3.42Å; R521-M525 WeakPolarHBondContact O-CG 3.16Å; R521-M525 PolarHBondContact O-N 3.27Å
522K98.3Very high97.8Very high88 Ų8863.7 Ų63.738%0.38331%0.311SS..Hα-helixtrans-63.5-43.2179.4-172.1177.7-179.9-178.60112Y367 Q518 E519 R520 I524 M525 L526Y367-K522 HydrophobicContact CD1-CG 4.11Å; Y367-K522 HydrophobicContact CE1-CG 4.17Å; Y367-K522 HydrophobicContact CG-CG 4.41Å; Q518-K522 WeakPolarHBondContact O-CB 3.45Å; Q518-K522 PolarHBondContact O-N 3.44Å; E519-K522 PolarHBondContact O-N 3.18Å; R520-K522 VanDerWaalsContact C-N 3.34Å; R520-K522 PolarHBondContact O-N 3.33Å; K522-I524 PolarHBondContact O-N 3.22Å; K522-M525 PolarHBondContact O-N 2.75Å; K522-L526 HydrophobicContact CG-CD1 4.29Å; K522-L526 WeakPolarHBondContact O-CB 3.31Å; K522-L526 VanDerWaalsContact O-CG 3.31Å; K522-L526 WeakPolarHBondContact O-CG 3.45Å; K522-L526 PolarHBondContact O-N 3.5Å
523E98.7Very high98Very high95 Ų9564.8 Ų64.844%0.44432%0.317SS..Hα-helixtrans-55.6-50.1172.9-176.8-168.2-160.600111.1E519 R520 M525 L526 G527 V659E519-E523 WeakPolarHBondContact O-CB 3.36Å; E519-E523 PolarHBondContact O-N 2.85Å; R520-E523 WeakPolarHBondContact CD-OE2 3.41Å; R520-E523 IonicContact CZ-OE2 2.75Å; R520-E523 IonicContact NE-OE2 3.84Å; R520-E523 IonicContact NH1-OE1 3.62Å; R520-E523 IonicContact NH1-OE2 3.71Å; R520-E523 PolarHBondContact NH1-OE2 2.85Å; R520-E523 WeakPolarHBondContact O-CB 3.34Å; R520-E523 PolarHBondContact O-N 3.02Å; E523-M525 PolarHBondContact O-N 3.33Å; E523-L526 PolarHBondContact O-N 2.91Å; E523-G527 PolarHBondContact O-N 2.76Å; E523-V659 HydrophobicContact CG-CB 4.4Å; E523-V659 HydrophobicContact CG-CG2 3.87Å
524I98.8Very high98.2Very high0 Ų058.3 Ų58.30%028%0.282CS..Hα-helixtrans-63.4-43.7-179.8-63.5168.7000111.2V405 L409 V504 L508 R520 R521 K522 G527 L528 V659 L662V405-I524 HydrophobicContact CG2-CD1 4.41Å; L409-I524 HydrophobicContact CD1-CD1 3.96Å; V504-I524 HydrophobicContact CG1-CG2 3.7Å; L508-I524 HydrophobicContact CD1-CG2 4.06Å; L508-I524 HydrophobicContact CD2-CB 4.14Å; L508-I524 HydrophobicContact CD2-CD1 4.31Å; L508-I524 HydrophobicContact CD2-CG2 4.13Å; L508-I524 HydrophobicContact CG-CG2 4.39Å; R520-I524 HydrophobicContact CG-CD1 4.14Å; R520-I524 VanDerWaalsContact O-CG1 3.27Å; R520-I524 WeakPolarHBondContact O-CG1 3.26Å; R520-I524 PolarHBondContact O-N 2.93Å; R521-I524 PolarHBondContact O-N 3.21Å; K522-I524 PolarHBondContact O-N 3.22Å; I524-G527 CarbonylContact O-C 3.55Å; I524-G527 WeakPolarHBondContact O-CA 3.26Å; I524-G527 PolarHBondContact O-N 2.87Å; I524-G527 VanDerWaalsContact O-N 3.11Å; I524-L528 PolarHBondContact O-N 3.14Å; I524-V659 HydrophobicContact CG1-CG2 4.13Å; I524-L662 HydrophobicContact CG2-CD1 4.44Å
525M98.6Very high98.4Very high2 Ų255.8 Ų55.81%0.0127%0.272CS..Hα-helixtrans-66.4-36.3178.1-76.2-177.6-79.200113.1F364 Y367 V369 L508 R521 K522 E523 G527 L528 K529F364-M525 WeakPolarHBondContact CE1-O 3.39Å; Y367-M525 HydrophobicContact CD1-CB 3.91Å; Y367-M525 HydrophobicContact CD1-CE 4.35Å; Y367-M525 HydrophobicContact CD1-SD 4.39Å; Y367-M525 HydrophobicContact CG-CE 4.48Å; Y367-M525 WeakPolarHBondContact O-CE 3.43Å; V369-M525 HydrophobicContact CG2-CG 4.38Å; V369-M525 HydrophobicContact CG2-SD 3.86Å; L508-M525 HydrophobicContact CD1-CG 3.83Å; R521-M525 VanDerWaalsContact C-CE 3.49Å; R521-M525 HydrophobicContact CB-CE 3.88Å; R521-M525 VanDerWaalsContact O-CE 3.24Å; R521-M525 WeakPolarHBondContact O-CE 3.42Å; R521-M525 WeakPolarHBondContact O-CG 3.16Å; R521-M525 PolarHBondContact O-N 3.27Å; K522-M525 PolarHBondContact O-N 2.75Å; E523-M525 PolarHBondContact O-N 3.33Å; M525-G527 VanDerWaalsContact C-N 3.28Å; M525-L528 PolarHBondContact O-N 3.28Å; M525-K529 PolarHBondContact O-N 3.49Å
526L98.6Very high98.4Very high68 Ų6853.1 Ų53.136%0.35626%0.255SS..Hα-helixtrans-63.4-38170-75.5171.2000111.3Y367 K522 E523 K529 R530Y367-L526 HydrophobicContact CE1-CD2 3.79Å; Y367-L526 HydrophobicContact CE1-CG 3.88Å; Y367-L526 WeakPolarHBondContact OH-CD2 3.46Å; K522-L526 HydrophobicContact CG-CD1 4.29Å; K522-L526 WeakPolarHBondContact O-CB 3.31Å; K522-L526 VanDerWaalsContact O-CG 3.31Å; K522-L526 WeakPolarHBondContact O-CG 3.45Å; K522-L526 PolarHBondContact O-N 3.5Å; E523-L526 PolarHBondContact O-N 2.91Å; L526-K529 PolarHBondContact O-N 2.87Å; L526-R530 WeakPolarHBondContact O-CG 3.4Å; L526-R530 PolarHBondContact O-N 2.75Å
527G98.6Very high98.5Very high6 Ų651.1 Ų51.16%0.06223%0.234CC..Hα-helixtrans-58.5-51.5170.200000112.1E523 I524 M525 K529 R530 L531E523-G527 PolarHBondContact O-N 2.76Å; I524-G527 CarbonylContact O-C 3.55Å; I524-G527 WeakPolarHBondContact O-CA 3.26Å; I524-G527 PolarHBondContact O-N 2.87Å; I524-G527 VanDerWaalsContact O-N 3.11Å; M525-G527 VanDerWaalsContact C-N 3.28Å; G527-K529 VanDerWaalsContact C-N 3.29Å; G527-K529 PolarHBondContact O-N 3.2Å; G527-R530 PolarHBondContact O-N 2.89Å; G527-R530 VanDerWaalsContact O-N 3.16Å; G527-L531 WeakPolarHBondContact O-CB 3.39Å; G527-L531 PolarHBondContact O-N 2.91Å
528L98.8Very high98.5Very high0 Ų049.6 Ų49.60%023%0.227CC..Hα-helixtrans-57.1-40.3176.2-73.1176.7000112.3M358 F364 V501 L508 I524 M525 R530 L531 P532 L662M358-L528 HydrophobicContact SD-CB 3.82Å; M358-L528 HydrophobicContact SD-CD2 4.12Å; M358-L528 HydrophobicContact SD-CG 4.39Å; F364-L528 HydrophobicContact CE1-CB 4.2Å; F364-L528 HydrophobicContact CZ-CB 4.46Å; V501-L528 HydrophobicContact CG1-CD2 4.08Å; V501-L528 HydrophobicContact CG2-CD2 4.4Å; L508-L528 HydrophobicContact CD1-CD1 3.87Å; I524-L528 PolarHBondContact O-N 3.14Å; M525-L528 PolarHBondContact O-N 3.28Å; L528-R530 VanDerWaalsContact C-N 3.33Å; L528-R530 PolarHBondContact O-N 3Å; L528-L531 HydrophobicContact CD2-CD2 4.31Å; L528-L531 WeakPolarHBondContact O-CB 3.4Å; L528-L531 PolarHBondContact O-N 3Å; L528-P532 WeakPolarHBondContact O-CD 3.41Å; L528-L662 HydrophobicContact CD2-CD1 3.76Å; L528-L662 HydrophobicContact CD2-CD2 3.97Å; L528-L662 HydrophobicContact CG-CD1 3.86Å
529K98.6Very high98.6Very high102 Ų10247.1 Ų47.144%0.44322%0.216SC..Hα-helixtrans-60.7-41.4177.4-169175.1-173.2164.90112.3F364 M525 L526 G527F364-K529 HydrophobicContact CB-CD 4.03Å; F364-K529 HydrophobicContact CB-CG 4.5Å; F364-K529 HydrophobicContact CD1-CB 3.66Å; F364-K529 HydrophobicContact CD1-CD 4.15Å; F364-K529 HydrophobicContact CD1-CG 3.98Å; F364-K529 HydrophobicContact CD2-CG 4.4Å; F364-K529 HydrophobicContact CE1-CB 3.6Å; F364-K529 HydrophobicContact CE1-CG 4.26Å; F364-K529 HydrophobicContact CG-CB 4.24Å; F364-K529 HydrophobicContact CG-CD 4.1Å; F364-K529 HydrophobicContact CG-CG 4.05Å; F364-K529 HydrophobicContact CZ-CB 4.15Å; M525-K529 PolarHBondContact O-N 3.49Å; L526-K529 PolarHBondContact O-N 2.87Å; G527-K529 VanDerWaalsContact C-N 3.29Å; G527-K529 PolarHBondContact O-N 3.2Å
530R98.6Very high98.6Very high139 Ų13944.6 Ų44.653%0.52521%0.214SC..Hα-helixtrans-84-21.7-178.3-67.5172.260.9-158-4.3113.1L526 G527 L528 P532 D533 L534L526-R530 WeakPolarHBondContact O-CG 3.4Å; L526-R530 PolarHBondContact O-N 2.75Å; G527-R530 PolarHBondContact O-N 2.89Å; G527-R530 VanDerWaalsContact O-N 3.16Å; L528-R530 VanDerWaalsContact C-N 3.33Å; L528-R530 PolarHBondContact O-N 3Å; R530-P532 VanDerWaalsContact C-CD 3.43Å; R530-D533 PolarHBondContact O-N 2.93Å; R530-D533 VanDerWaalsContact O-N 3.12Å; R530-L534 HydrophobicContact CB-CD1 4.19Å; R530-L534 HydrophobicContact CB-CG 4.38Å; R530-L534 WeakPolarHBondContact O-CG 3.44Å; R530-L534 PolarHBondContact O-N 3.08Å; R530-L534 VanDerWaalsContact O-N 3.12Å
531L98.8Very high98.6Very high0 Ų044.4 Ų44.40%022%0.215CC..Hα-helixtrans-51.3-43.5-171.1-173.963.2000114.3V354 V501 G527 L528 D533 L534 I535 I665 L666V354-L531 HydrophobicContact CG1-CD2 3.92Å; V354-L531 HydrophobicContact CG1-CG 4.33Å; V501-L531 HydrophobicContact CG2-CD2 4.07Å; G527-L531 WeakPolarHBondContact O-CB 3.39Å; G527-L531 PolarHBondContact O-N 2.91Å; L528-L531 HydrophobicContact CD2-CD2 4.31Å; L528-L531 WeakPolarHBondContact O-CB 3.4Å; L528-L531 PolarHBondContact O-N 3Å; L531-D533 VanDerWaalsContact C-N 3.34Å; L531-D533 PolarHBondContact O-N 2.85Å; L531-L534 PolarHBondContact O-N 2.98Å; L531-I535 HydrophobicContact CD1-CD1 4.39Å; L531-I535 HydrophobicContact CD1-CG1 4.37Å; L531-I535 HydrophobicContact CG-CD1 4.02Å; L531-I535 HydrophobicContact CG-CG1 4.44Å; L531-I535 VanDerWaalsContact O-CG1 3.27Å; L531-I535 WeakPolarHBondContact O-CG1 3.33Å; L531-I535 PolarHBondContact O-N 3.13Å; L531-I665 HydrophobicContact CD1-CB 4.38Å; L531-I665 HydrophobicContact CD1-CG2 4.13Å; L531-I665 HydrophobicContact CD2-CD1 3.7Å; L531-I665 HydrophobicContact CD2-CG2 4.43Å; L531-L666 HydrophobicContact CD1-CD2 3.92Å; L531-L666 HydrophobicContact CD1-CG 4.22Å
532P98.8Very high98.6Very high11 Ų1144.7 Ų44.77%0.07122%0.217CC..Hα-helixtrans-60-40.8179.5-24.635.4000113.5P351 V354 V355 M358 L528 R530 I535 K536P351-P532 HydrophobicContact CB-CB 4.42Å; V354-P532 HydrophobicContact CG1-CG 4.39Å; V355-P532 HydrophobicContact CG2-CB 3.86Å; V355-P532 HydrophobicContact CG2-CG 3.46Å; V355-P532 VanDerWaalsContact CG2-CG 3.46Å; M358-P532 HydrophobicContact CE-CG 4.25Å; L528-P532 WeakPolarHBondContact O-CD 3.41Å; R530-P532 VanDerWaalsContact C-CD 3.43Å; P532-I535 PolarHBondContact O-N 3.39Å; P532-K536 WeakPolarHBondContact O-CG 3.36Å; P532-K536 PolarHBondContact O-N 2.74Å; P532-K536 VanDerWaalsContact O-N 3.12Å
533D98.7Very high98.6Very high98 Ų9845.5 Ų45.552%0.52423%0.226SC..Hα-helixtrans-75.6-33.6179.9-66.5-32.9000111.7R530 L531 I535 K536 E537R530-D533 PolarHBondContact O-N 2.93Å; R530-D533 VanDerWaalsContact O-N 3.12Å; L531-D533 VanDerWaalsContact C-N 3.34Å; L531-D533 PolarHBondContact O-N 2.85Å; D533-I535 VanDerWaalsContact C-N 3.32Å; D533-I535 PolarHBondContact O-N 3.17Å; D533-K536 WeakPolarHBondContact O-CB 3.35Å; D533-K536 PolarHBondContact O-N 3.02Å; D533-K536 IonicContact OD1-NZ 3.81Å; D533-K536 PolarHBondContact OD1-NZ 3.12Å; D533-E537 PolarHBondContact O-N 3.16Å
534L98.8Very high98.5Very high13 Ų1345 Ų457%0.06822%0.224CC..Hα-helixtrans-63.9-37.4171.2-61.4179.4000111.7R530 L531 E537 V538 P656 L666R530-L534 HydrophobicContact CB-CD1 4.19Å; R530-L534 HydrophobicContact CB-CG 4.38Å; R530-L534 WeakPolarHBondContact O-CG 3.44Å; R530-L534 PolarHBondContact O-N 3.08Å; R530-L534 VanDerWaalsContact O-N 3.12Å; L531-L534 PolarHBondContact O-N 2.98Å; L534-E537 PolarHBondContact O-N 3.41Å; L534-V538 WeakPolarHBondContact O-CG2 3.37Å; L534-V538 PolarHBondContact O-N 3.32Å; L534-P656 HydrophobicContact CB-CG 4.1Å; L534-P656 HydrophobicContact CD2-CB 3.91Å; L534-P656 HydrophobicContact CD2-CG 3.94Å; L534-L666 HydrophobicContact CB-CD1 4.01Å; L534-L666 HydrophobicContact CB-CD2 3.82Å; L534-L666 HydrophobicContact CD1-CD1 4.11Å
535I98.8Very high98.5Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-62.4-44.7172.7-69.1168.5000110.2Q350 P351 V354 L531 P532 D533 E537 V538 L539 I665 L666 I669Q350-I535 HydrophobicContact CB-CG2 3.98Å; P351-I535 HydrophobicContact CG-CB 4.25Å; P351-I535 HydrophobicContact CG-CG2 3.65Å; V354-I535 HydrophobicContact CB-CD1 4.38Å; V354-I535 HydrophobicContact CG2-CD1 3.85Å; L531-I535 HydrophobicContact CD1-CD1 4.39Å; L531-I535 HydrophobicContact CD1-CG1 4.37Å; L531-I535 HydrophobicContact CG-CD1 4.02Å; L531-I535 HydrophobicContact CG-CG1 4.44Å; L531-I535 VanDerWaalsContact O-CG1 3.27Å; L531-I535 WeakPolarHBondContact O-CG1 3.33Å; L531-I535 PolarHBondContact O-N 3.13Å; P532-I535 PolarHBondContact O-N 3.39Å; D533-I535 VanDerWaalsContact C-N 3.32Å; D533-I535 PolarHBondContact O-N 3.17Å; I535-E537 VanDerWaalsContact C-N 3.29Å; I535-E537 PolarHBondContact O-N 3.45Å; I535-V538 PolarHBondContact O-N 3.16Å; I535-V538 VanDerWaalsContact O-N 3.12Å; I535-L539 HydrophobicContact CG2-CD1 3.97Å; I535-L539 HydrophobicContact CG2-CG 4.28Å; I535-L539 WeakPolarHBondContact O-CG 3.36Å; I535-L539 PolarHBondContact O-N 3.36Å; I535-I665 HydrophobicContact CD1-CG2 4.08Å; I535-I665 HydrophobicContact CG1-CG2 4.41Å; I535-L666 HydrophobicContact CG1-CD2 3.85Å; I535-I669 HydrophobicContact CB-CD1 4.29Å; I535-I669 HydrophobicContact CG1-CD1 3.88Å; I535-I669 HydrophobicContact CG2-CD1 3.8Å
536K98.8Very high98.5Very high103 Ų10348.7 Ų48.745%0.44824%0.241SC..Hα-helixtrans-59-40.5175.3-67.1172.6-167.1157.20112.1P351 P532 D533 L539 S540P351-K536 HydrophobicContact CB-CG 3.97Å; P351-K536 HydrophobicContact CG-CG 3.65Å; P532-K536 WeakPolarHBondContact O-CG 3.36Å; P532-K536 PolarHBondContact O-N 2.74Å; P532-K536 VanDerWaalsContact O-N 3.12Å; D533-K536 WeakPolarHBondContact O-CB 3.35Å; D533-K536 PolarHBondContact O-N 3.02Å; D533-K536 IonicContact OD1-NZ 3.81Å; D533-K536 PolarHBondContact OD1-NZ 3.12Å; K536-L539 PolarHBondContact O-N 3.28Å; K536-S540 PolarHBondContact O-N 2.87Å
537E98.6Very high98.4Very high58 Ų5850.4 Ų50.427%0.27125%0.246SC..Hα-helixtrans-61.4-43.3174.9-175.9175.1176.600111.2D533 L534 I535 S540 M541 K640 P656D533-E537 PolarHBondContact O-N 3.16Å; L534-E537 PolarHBondContact O-N 3.41Å; I535-E537 VanDerWaalsContact C-N 3.29Å; I535-E537 PolarHBondContact O-N 3.45Å; E537-S540 WeakPolarHBondContact O-CB 3.49Å; E537-S540 PolarHBondContact O-N 3.14Å; E537-S540 PolarHBondContact O-OG 2.99Å; E537-M541 HydrophobicContact CG-CE 4.17Å; E537-K640 IonicContact OE1-NZ 3.88Å; E537-K640 PolarHBondContact OE1-NZ 3.4Å; E537-P656 HydrophobicContact CB-CG 4.33Å; E537-P656 HydrophobicContact CG-CG 4.32Å
538V98.8Very high98.4Very high1 Ų150.3 Ų50.31%0.00624%0.244CC..Hα-helixtrans-63.7-43.3174.9177.20000112L534 I535 S540 M541 V655 P656 L666 I669 P670L534-V538 WeakPolarHBondContact O-CG2 3.37Å; L534-V538 PolarHBondContact O-N 3.32Å; I535-V538 PolarHBondContact O-N 3.16Å; I535-V538 VanDerWaalsContact O-N 3.12Å; V538-S540 PolarHBondContact O-N 3.02Å; V538-M541 VanDerWaalsContact O-CB 3.3Å; V538-M541 WeakPolarHBondContact O-CB 3.28Å; V538-M541 PolarHBondContact O-N 3.09Å; V538-V655 HydrophobicContact CG1-CG1 4.44Å; V538-V655 HydrophobicContact CG2-CB 4.22Å; V538-V655 HydrophobicContact CG2-CG1 4.14Å; V538-P656 HydrophobicContact CG2-CG 4.18Å; V538-L666 HydrophobicContact CG2-CB 4.31Å; V538-L666 HydrophobicContact CG2-CD2 4.18Å; V538-I669 HydrophobicContact CG1-CB 3.91Å; V538-I669 HydrophobicContact CG1-CG2 3.81Å; V538-P670 HydrophobicContact CG1-CG 3.87Å
539L98.5Very high98.3Very high13 Ų1350.3 Ų50.37%0.06824%0.244CC..Hα-helixtrans-63-28.8177.4-68.6172.4000112.4I347 F348 P351 I535 K536 M541 D542 I669 L673I347-L539 HydrophobicContact CG2-CD2 3.83Å; F348-L539 HydrophobicContact CD1-CB 4.37Å; F348-L539 HydrophobicContact CD1-CD1 4.31Å; F348-L539 HydrophobicContact CD1-CD2 4.3Å; F348-L539 HydrophobicContact CD2-CD2 4.44Å; F348-L539 HydrophobicContact CE1-CB 4.26Å; F348-L539 HydrophobicContact CE1-CD2 4.45Å; F348-L539 HydrophobicContact CG-CD2 4.31Å; P351-L539 HydrophobicContact CG-CD1 3.92Å; I535-L539 HydrophobicContact CG2-CD1 3.97Å; I535-L539 HydrophobicContact CG2-CG 4.28Å; I535-L539 WeakPolarHBondContact O-CG 3.36Å; I535-L539 PolarHBondContact O-N 3.36Å; K536-L539 PolarHBondContact O-N 3.28Å; L539-M541 PolarHBondContact O-N 2.59Å; L539-M541 VanDerWaalsContact O-N 3.14Å; L539-D542 WeakPolarHBondContact O-CB 3.49Å; L539-D542 PolarHBondContact O-N 3.5Å; L539-I669 HydrophobicContact CD2-CG2 3.77Å; L539-I669 HydrophobicContact CG-CG2 4.48Å; L539-L673 HydrophobicContact CD2-CD1 4.37Å
540S98.5Very high98.3Very high90 Ų9049.2 Ų49.263%0.62925%0.246SC*.THydrogen-bonded Turntrans-65.5-12.6174.680.20000113.8K536 E537 V538 D542K536-S540 PolarHBondContact O-N 2.87Å; E537-S540 WeakPolarHBondContact O-CB 3.49Å; E537-S540 PolarHBondContact O-N 3.14Å; E537-S540 PolarHBondContact O-OG 2.99Å; V538-S540 PolarHBondContact O-N 3.02Å; S540-D542 VanDerWaalsContact C-N 3.28Å
541M97.6Very high98.2Very high32 Ų3247.2 Ų47.216%0.15824%0.242CC..THydrogen-bonded Turntrans-87.88.4177.6-52.7176.3-167.700113.1E537 V538 L539 D543 E544 I545 K654E537-M541 HydrophobicContact CG-CE 4.17Å; V538-M541 VanDerWaalsContact O-CB 3.3Å; V538-M541 WeakPolarHBondContact O-CB 3.28Å; V538-M541 PolarHBondContact O-N 3.09Å; L539-M541 PolarHBondContact O-N 2.59Å; L539-M541 VanDerWaalsContact O-N 3.14Å; M541-D543 VanDerWaalsContact C-N 3.28Å; M541-D543 PolarHBondContact O-N 2.89Å; M541-E544 WeakPolarHBondContact O-CB 3.3Å; M541-E544 PolarHBondContact O-N 2.62Å; M541-I545 PolarHBondContact O-N 3.12Å; M541-I545 VanDerWaalsContact O-N 3.16Å; M541-K654 WeakPolarHBondContact CE-O 3.41Å; M541-K654 VanDerWaalsContact SD-O 3.41Å
542D98.3Very high98.1Very high19 Ų1947.9 Ų47.910%0.10225%0.246CC..Hα-helixtrans-48.9-46.1-176.4-170.464.8000113.2F348 L539 S540 E544 I545 Q546 L673 H677F348-D542 HydrophobicContact CZ-CB 4.17Å; L539-D542 WeakPolarHBondContact O-CB 3.49Å; L539-D542 PolarHBondContact O-N 3.5Å; S540-D542 VanDerWaalsContact C-N 3.28Å; D542-E544 VanDerWaalsContact C-N 3.31Å; D542-E544 PolarHBondContact O-N 3.39Å; D542-I545 CarbonylContact O-C 3.52Å; D542-I545 WeakPolarHBondContact O-CA 3.24Å; D542-I545 WeakPolarHBondContact O-CB 3.21Å; D542-I545 PolarHBondContact O-N 3.21Å; D542-Q546 WeakPolarHBondContact O-CG 3.27Å; D542-Q546 PolarHBondContact O-N 3.44Å; D542-Q546 PolarHBondContact OD2-NE2 3.39Å; D542-L673 WeakPolarHBondContact OD1-CD2 3.31Å; D542-H677 VanDerWaalsContact CG-NE2 3.32Å; D542-H677 IonicContact OD1-CD2 3.93Å; D542-H677 IonicContact OD1-CE1 2.81Å; D542-H677 IonicContact OD1-NE2 3.31Å; D542-H677 PolarHBondContact OD1-NE2 3.13Å; D542-H677 IonicContact OD2-CE1 3.65Å; D542-H677 PolarHBondContact OD2-CE1 3.17Å; D542-H677 IonicContact OD2-NE2 2.83Å; D542-H677 PolarHBondContact OD2-NE2 2.88Å
543D97.9Very high98Very high106 Ų10651.1 Ų51.157%0.56726%0.257SS*.Hα-helixtrans-61.5-35.4178.5-70.2-22.3000113.1M541 I545 Q546 K547M541-D543 VanDerWaalsContact C-N 3.28Å; M541-D543 PolarHBondContact O-N 2.89Å; D543-I545 VanDerWaalsContact C-N 3.33Å; D543-Q546 PolarHBondContact O-N 2.83Å; D543-K547 WeakPolarHBondContact O-CG 3.3Å; D543-K547 PolarHBondContact O-N 3.1Å; D543-K547 VanDerWaalsContact O-N 3.12Å
544E97.2Very high97.9Very high85 Ų8552.9 Ų52.940%0.39726%0.262SS..Hα-helixtrans-70.1-34.5175.8-72.3-59.8131.800111.4M541 D542 K547 L548M541-E544 WeakPolarHBondContact O-CB 3.3Å; M541-E544 PolarHBondContact O-N 2.62Å; D542-E544 VanDerWaalsContact C-N 3.31Å; D542-E544 PolarHBondContact O-N 3.39Å; E544-K547 PolarHBondContact O-N 2.68Å; E544-K547 IonicContact OE1-NZ 2.94Å; E544-K547 PolarHBondContact OE1-NZ 3.12Å; E544-L548 PolarHBondContact O-N 2.95Å; E544-L548 VanDerWaalsContact O-N 3.16Å
545I98.3Very high97.8Very high3 Ų355.8 Ų55.82%0.01528%0.275CS..Hα-helixtrans-71.1-37.2174.4-53.1-57.5000111.1M541 D542 D543 K547 L548 A549 I653 P670 L673 L674M541-I545 PolarHBondContact O-N 3.12Å; M541-I545 VanDerWaalsContact O-N 3.16Å; D542-I545 CarbonylContact O-C 3.52Å; D542-I545 WeakPolarHBondContact O-CA 3.24Å; D542-I545 WeakPolarHBondContact O-CB 3.21Å; D542-I545 PolarHBondContact O-N 3.21Å; D543-I545 VanDerWaalsContact C-N 3.33Å; I545-K547 VanDerWaalsContact C-N 3.35Å; I545-K547 PolarHBondContact O-N 3.12Å; I545-L548 WeakPolarHBondContact O-CB 3.19Å; I545-L548 PolarHBondContact O-N 3.33Å; I545-A549 PolarHBondContact O-N 3.32Å; I545-I653 HydrophobicContact CD1-CB 4.45Å; I545-I653 HydrophobicContact CD1-CD1 3.6Å; I545-I653 HydrophobicContact CD1-CG1 3.81Å; I545-I653 HydrophobicContact CD1-CG2 3.79Å; I545-P670 HydrophobicContact CD1-CB 3.89Å; I545-L673 HydrophobicContact CB-CB 4.34Å; I545-L673 HydrophobicContact CG1-CB 4.46Å; I545-L673 HydrophobicContact CG1-CD1 4.44Å; I545-L673 HydrophobicContact CG2-CB 3.86Å; I545-L674 HydrophobicContact CG2-CB 3.8Å; I545-L674 HydrophobicContact CG2-CD1 4.37Å
546Q98.1Very high97.7Very high75 Ų7564.4 Ų64.435%0.3531%0.312SS..Hα-helixtrans-59.2-44172.5-73.5-176.441.800112.2D542 D543 L548 A549 T550 H677D542-Q546 WeakPolarHBondContact O-CG 3.27Å; D542-Q546 PolarHBondContact O-N 3.44Å; D542-Q546 PolarHBondContact OD2-NE2 3.39Å; D543-Q546 PolarHBondContact O-N 2.83Å; Q546-L548 VanDerWaalsContact C-N 3.32Å; Q546-L548 PolarHBondContact O-N 3.46Å; Q546-A549 WeakPolarHBondContact O-CB 3.4Å; Q546-A549 PolarHBondContact O-N 3.25Å; Q546-T550 PolarHBondContact O-N 3.36Å; Q546-T550 PolarHBondContact O-OG1 3.48Å; Q546-H677 WeakPolarHBondContact CG-CE1 3.28Å; Q546-H677 WeakPolarHBondContact CG-ND1 3.39Å; Q546-H677 VanDerWaalsContact CG-NE2 3.3Å; Q546-H677 WeakPolarHBondContact CG-NE2 3.45Å; Q546-H677 PolarHBondContact NE2-CE1 3.05Å
547K97.9Very high97.6Very high105 Ų10561 Ų6146%0.45730%0.302SS..Hα-helixtrans-60.1-43.3174.8-68.9169.4-166.5170.30111.4D543 E544 I545 T550 E551D543-K547 WeakPolarHBondContact O-CG 3.3Å; D543-K547 PolarHBondContact O-N 3.1Å; D543-K547 VanDerWaalsContact O-N 3.12Å; E544-K547 PolarHBondContact O-N 2.68Å; E544-K547 IonicContact OE1-NZ 2.94Å; E544-K547 PolarHBondContact OE1-NZ 3.12Å; I545-K547 VanDerWaalsContact C-N 3.35Å; I545-K547 PolarHBondContact O-N 3.12Å; K547-T550 WeakPolarHBondContact O-CB 3.39Å; K547-T550 PolarHBondContact O-N 3.06Å; K547-E551 PolarHBondContact O-N 3.35Å
548L97.6Very high97.6Very high4 Ų458.3 Ų58.32%0.02129%0.29CS..Hα-helixtrans-63.6-43175.4172.761.8000112E544 I545 Q546 T550 E551 L552 V635 I653 L674E544-L548 PolarHBondContact O-N 2.95Å; E544-L548 VanDerWaalsContact O-N 3.16Å; I545-L548 WeakPolarHBondContact O-CB 3.19Å; I545-L548 PolarHBondContact O-N 3.33Å; Q546-L548 VanDerWaalsContact C-N 3.32Å; Q546-L548 PolarHBondContact O-N 3.46Å; L548-T550 PolarHBondContact O-N 3.04Å; L548-E551 WeakPolarHBondContact O-CB 3.48Å; L548-E551 PolarHBondContact O-N 3.18Å; L548-L552 HydrophobicContact CD1-CD1 3.82Å; L548-L552 HydrophobicContact CD1-CG 4.06Å; L548-L552 HydrophobicContact CG-CD1 4.06Å; L548-L552 PolarHBondContact O-N 3.24Å; L548-L552 VanDerWaalsContact O-N 3.16Å; L548-V635 HydrophobicContact CD1-CB 4.4Å; L548-V635 HydrophobicContact CD1-CG1 4.15Å; L548-V635 HydrophobicContact CD1-CG2 3.57Å; L548-V635 HydrophobicContact CD2-CG1 3.87Å; L548-I653 HydrophobicContact CD2-CD1 4.46Å; L548-I653 HydrophobicContact CD2-CG1 4.45Å; L548-L674 HydrophobicContact CD2-CD1 4.15Å; L548-L674 HydrophobicContact CD2-CD2 4.16Å; L548-L674 HydrophobicContact CG-CD1 4.01Å
549A98.2Very high97.6Very high0 Ų058.6 Ų58.60%029%0.291CS..Hα-helixtrans-58.2-37.7176.900000111.4I545 Q546 E551 L552 Y553 L674 H677 L678 L681I545-A549 PolarHBondContact O-N 3.32Å; Q546-A549 WeakPolarHBondContact O-CB 3.4Å; Q546-A549 PolarHBondContact O-N 3.25Å; A549-E551 VanDerWaalsContact C-N 3.31Å; A549-E551 PolarHBondContact O-N 3.39Å; A549-L552 CarbonylContact O-C 3.57Å; A549-L552 PolarHBondContact O-N 2.94Å; A549-L552 VanDerWaalsContact O-N 3.11Å; A549-Y553 WeakPolarHBondContact O-CB 3.42Å; A549-Y553 PolarHBondContact O-N 3.27Å; A549-L674 HydrophobicContact CB-CD1 3.88Å; A549-H677 HydrophobicContact CB-CB 3.56Å; A549-L678 HydrophobicContact CB-CD2 4.28Å; A549-L678 HydrophobicContact CB-CG 4.16Å; A549-L678 WeakPolarHBondContact O-CD2 3.35Å; A549-L681 HydrophobicContact CB-CD1 3.84Å
550T97.9Very high97.6Very high78 Ų7858 Ų5848%0.47929%0.287SS..Hα-helixtrans-63.6-34.7176.4-55.50000112.3Q546 K547 L548 L552 Y553Q546-T550 PolarHBondContact O-N 3.36Å; Q546-T550 PolarHBondContact O-OG1 3.48Å; K547-T550 WeakPolarHBondContact O-CB 3.39Å; K547-T550 PolarHBondContact O-N 3.06Å; L548-T550 PolarHBondContact O-N 3.04Å; T550-L552 VanDerWaalsContact C-N 3.33Å; T550-Y553 WeakPolarHBondContact O-CD1 3.47Å
551E95.9Very high97.6Very high98 Ų9853.7 Ų53.746%0.45826%0.258SS..Hα-helixtrans-72-29.1174.9-64.6178.4-174.200112.2K547 L548 A549 R651K547-E551 PolarHBondContact O-N 3.35Å; L548-E551 WeakPolarHBondContact O-CB 3.48Å; L548-E551 PolarHBondContact O-N 3.18Å; A549-E551 VanDerWaalsContact C-N 3.31Å; A549-E551 PolarHBondContact O-N 3.39Å; E551-R651 VanDerWaalsContact CD-NE 3.28Å; E551-R651 IonicContact OE1-CZ 3.54Å; E551-R651 IonicContact OE1-NE 3.78Å; E551-R651 PolarHBondContact OE1-NE 3.25Å; E551-R651 IonicContact OE1-NH2 2.85Å; E551-R651 PolarHBondContact OE1-NH2 3.06Å; E551-R651 WeakPolarHBondContact OE2-CD 3.49Å; E551-R651 IonicContact OE2-CZ 2.77Å; E551-R651 IonicContact OE2-NE 2.72Å; E551-R651 PolarHBondContact OE2-NE 2.94Å
552L97.1Very high97.6Very high14 Ų1452.2 Ų52.27%0.07325%0.251CS..Hα-helixtrans-100.1-16.3-172.8-65.8-177.6000114.7L548 A549 T550 H554 Q555 M583 P606 I608 L674 L678L548-L552 HydrophobicContact CD1-CD1 3.82Å; L548-L552 HydrophobicContact CD1-CG 4.06Å; L548-L552 HydrophobicContact CG-CD1 4.06Å; L548-L552 PolarHBondContact O-N 3.24Å; L548-L552 VanDerWaalsContact O-N 3.16Å; A549-L552 CarbonylContact O-C 3.57Å; A549-L552 PolarHBondContact O-N 2.94Å; A549-L552 VanDerWaalsContact O-N 3.11Å; T550-L552 VanDerWaalsContact C-N 3.33Å; L552-H554 PolarHBondContact O-N 3.45Å; L552-H554 VanDerWaalsContact O-N 3.12Å; L552-Q555 HydrophobicContact CD2-CG 4.28Å; L552-Q555 VanDerWaalsContact O-CB 3.25Å; L552-Q555 WeakPolarHBondContact O-CB 3.46Å; L552-Q555 WeakPolarHBondContact O-CG 3.15Å; L552-Q555 PolarHBondContact O-N 2.84Å; L552-M583 VanDerWaalsContact O-CE 3.23Å; L552-M583 WeakPolarHBondContact O-CE 3.14Å; L552-P606 HydrophobicContact CD2-CB 3.78Å; L552-P606 HydrophobicContact CD2-CG 4.31Å; L552-I608 HydrophobicContact CD1-CD1 4.34Å; L552-L674 HydrophobicContact CD1-CD1 4.31Å; L552-L674 HydrophobicContact CD1-CD2 4.16Å; L552-L678 HydrophobicContact CB-CD2 3.98Å
553Y96.3Very high97.6Very high79 Ų7954.2 Ų54.231%0.3126%0.257SS..THydrogen-bonded Turntrans-62.8-29.7-167.994.8-90.7000114.2A549 T550 Q555 L678 L681 R682A549-Y553 WeakPolarHBondContact O-CB 3.42Å; A549-Y553 PolarHBondContact O-N 3.27Å; T550-Y553 WeakPolarHBondContact O-CD1 3.47Å; Y553-Q555 VanDerWaalsContact C-N 3.31Å; Y553-L678 VanDerWaalsContact CA-CD2 3.46Å; Y553-L681 HydrophobicContact CG-CB 4.29Å; Y553-R682 HydrophobicContact CD2-CG 4.47Å; Y553-R682 PolarHBondContact O-NE 3.29Å; Y553-R682 PolarHBondContact O-NH2 2.85Å
554H96.3Very high97.6Very high135 Ų13550.7 Ų50.763%0.62525%0.245SC*.THydrogen-bonded Turntrans-77.4-13175.3-69.4-62.7000114.4L552L552-H554 PolarHBondContact O-N 3.45Å; L552-H554 VanDerWaalsContact O-N 3.12Å
555Q96.9Very high97.6Very high74 Ų7446.9 Ų46.935%0.34623%0.227SC..  trans-75.7145-174.5-59.6-64.9-13.200111.4L552 Y553 M583 P606 R682L552-Q555 HydrophobicContact CD2-CG 4.28Å; L552-Q555 VanDerWaalsContact O-CB 3.25Å; L552-Q555 WeakPolarHBondContact O-CB 3.46Å; L552-Q555 WeakPolarHBondContact O-CG 3.15Å; L552-Q555 PolarHBondContact O-N 2.84Å; Y553-Q555 VanDerWaalsContact C-N 3.31Å; Q555-M583 HydrophobicContact CB-CE 4.28Å; Q555-P606 HydrophobicContact CB-CG 3.85Å; Q555-P606 HydrophobicContact CG-CG 3.55Å; Q555-R682 PolarHBondContact O-NH2 3.4Å
556K96.6Very high97.6Very high180 Ų18046.9 Ų46.978%0.78323%0.227SC*.SBendtrans-85.6-32.9177.6-65.9-175.3-179.8-179.40112.3M583 H584K556-M583 VanDerWaalsContact O-CG 3.24Å; K556-M583 WeakPolarHBondContact O-CG 3.22Å; K556-H584 PolarHBondContact O-N 2.81Å
557S97.9Very high97.7Very high33 Ų3347.2 Ų47.223%0.23123%0.226CC..EExtended strand (participates in β ladder)trans-134.6155.3-175.7-51.20000112.3H584 P606S557-H584 CarbonylContact C-O 3.56Å; S557-H584 WeakPolarHBondContact CA-O 3.43Å; S557-H584 WeakPolarHBondContact CB-O 3.48Å; S557-P606 VanDerWaalsContact O-CD 3.25Å; S557-P606 WeakPolarHBondContact O-CD 3.4Å; S557-P606 VanDerWaalsContact O-CG 3.3Å; S557-P606 WeakPolarHBondContact O-CG 3.44Å
558V98.4Very high97.7Very high1 Ų142.2 Ų42.21%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-147.5131.716960.60000110.3I577 M583 H584 S585 E586 P606 I608V558-I577 HydrophobicContact CG1-CD1 4.25Å; V558-I577 HydrophobicContact CG1-CG2 4.28Å; V558-M583 HydrophobicContact CB-SD 3.9Å; V558-M583 HydrophobicContact CG1-SD 3.47Å; V558-M583 WeakPolarHBondContact CG1-SD 3.12Å; V558-H584 PolarHBondContact N-O 2.94Å; V558-S585 VanDerWaalsContact CG1-CB 3.46Å; V558-S585 CarbonylContact O-C 3.58Å; V558-S585 WeakPolarHBondContact O-CA 3.32Å; V558-E586 PolarHBondContact O-N 3.17Å; V558-P606 WeakPolarHBondContact CA-O 3.33Å; V558-P606 HydrophobicContact CB-CB 4.29Å; V558-P606 HydrophobicContact CG2-CB 4.12Å; V558-I608 HydrophobicContact CG2-CD1 3.94Å; V558-I608 HydrophobicContact CG2-CG1 3.94Å
559L98.4Very high97.8Very high6 Ų642 Ų423%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-96.3132.7174.3-57-177000109.6M561 E586 I588 L600 M605 P606 V607 I608L559-M561 HydrophobicContact CB-CE 3.95Å; L559-M561 HydrophobicContact CD1-CE 3.97Å; L559-E586 HydrophobicContact CD2-CB 4.03Å; L559-I588 HydrophobicContact CB-CD1 4.28Å; L559-I588 HydrophobicContact CD1-CD1 3.99Å; L559-I588 HydrophobicContact CD2-CD1 3.87Å; L559-I588 HydrophobicContact CG-CD1 4.26Å; L559-L600 HydrophobicContact CD1-CB 4.04Å; L559-L600 HydrophobicContact CD1-CD1 4.34Å; L559-M605 HydrophobicContact CD1-CG 3.94Å; L559-M605 HydrophobicContact CD1-SD 4.37Å; L559-M605 HydrophobicContact CG-CG 4.09Å; L559-M605 HydrophobicContact CG-SD 4.01Å; L559-P606 PolarHBondContact N-O 3.09Å; L559-V607 HydrophobicContact CB-CG2 4.46Å; L559-V607 CarbonylContact O-C 3.58Å; L559-V607 WeakPolarHBondContact O-CA 3.37Å; L559-I608 PolarHBondContact O-N 3.2Å
560I98.7Very high97.8Very high0 Ų042 Ų420%020%0.203CC..EExtended strand (participates in β ladder)trans-115.3121.5177.8-46.2-178.4000108.6C570 A574 I577 E586 G587 I588 I608 L671I560-C570 HydrophobicContact CB-CB 4.28Å; I560-C570 HydrophobicContact CG2-CB 3.94Å; I560-A574 HydrophobicContact CD1-CB 4.06Å; I560-I577 HydrophobicContact CD1-CD1 4.06Å; I560-E586 PolarHBondContact N-O 2.83Å; I560-G587 CarbonylContact O-C 3.57Å; I560-G587 WeakPolarHBondContact O-CA 3.24Å; I560-I588 PolarHBondContact O-N 3.01Å; I560-I608 CarbonylContact C-O 3.53Å; I560-I608 VanDerWaalsContact CA-O 3.3Å; I560-I608 WeakPolarHBondContact CA-O 3.47Å; I560-I608 HydrophobicContact CG1-CB 4.48Å; I560-I608 HydrophobicContact CG2-CB 4.32Å; I560-I608 HydrophobicContact CG2-CG2 4.43Å; I560-L671 HydrophobicContact CD1-CD2 4.49Å; I560-L671 HydrophobicContact CG2-CD1 4.28Å
561M98.4Very high97.8Very high1 Ų139.7 Ų39.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-121.7134.1-169.8-57176.2-178.400112.1L559 I588 L593 V601 V607 I608 M609 I610 V627L559-M561 HydrophobicContact CB-CE 3.95Å; L559-M561 HydrophobicContact CD1-CE 3.97Å; M561-I588 WeakPolarHBondContact CA-O 3.43Å; M561-I588 HydrophobicContact CG-CB 4.41Å; M561-L593 HydrophobicContact CE-CD2 3.59Å; M561-L593 HydrophobicContact CG-CD2 4.38Å; M561-L593 HydrophobicContact SD-CD1 3.92Å; M561-L593 HydrophobicContact SD-CD2 3.57Å; M561-L593 VanDerWaalsContact SD-CD2 3.57Å; M561-L593 HydrophobicContact SD-CG 4.35Å; M561-V601 HydrophobicContact CE-CG2 4Å; M561-V607 HydrophobicContact CE-CG1 3.78Å; M561-V607 HydrophobicContact CE-CG2 4.25Å; M561-V607 HydrophobicContact CG-CG1 4.23Å; M561-V607 HydrophobicContact SD-CG1 3.68Å; M561-I608 PolarHBondContact N-O 3.44Å; M561-M609 HydrophobicContact CB-CE 4.35Å; M561-M609 HydrophobicContact CB-CG 4.25Å; M561-M609 CarbonylContact O-C 3.57Å; M561-M609 WeakPolarHBondContact O-CA 3.47Å; M561-M609 HydrophobicContact SD-CE 4.4Å; M561-M609 HydrophobicContact SD-CG 4.47Å; M561-I610 PolarHBondContact O-N 3.02Å; M561-V627 HydrophobicContact CE-CG2 4.47Å; M561-V627 HydrophobicContact SD-CG2 3.89Å
562G98.1Very high97.9Very high1 Ų135 Ų351%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-169.5172.7-179.700000111.1C570 I588 L589 A590G562-C570 WeakPolarHBondContact CA-SG 3.45Å; G562-C570 PolarHBondContact N-SG 3.19Å; G562-I588 PolarHBondContact N-O 2.7Å; G562-L589 WeakPolarHBondContact O-CA 3.48Å; G562-A590 PolarHBondContact O-N 2.75Å
563R97.1Very high98Very high61 Ų6134.4 Ų34.423%0.2316%0.162CC..  trans-152.1170.7-179.863.1179.3-62.2141.49110.8Y565 H566 L589 A590 C620R563-Y565 PolarHBondContact O-N 2.87Å; R563-H566 PolarHBondContact O-N 2.93Å; R563-H566 VanDerWaalsContact O-N 3.11Å; R563-L589 HydrophobicContact CB-CD1 3.93Å; R563-A590 HydrophobicContact CB-CB 4.34Å; R563-C620 VanDerWaalsContact CD-SG 3.55Å; R563-C620 WeakPolarHBondContact CG-SG 3.09Å
564G97.6Very high98.1Very high31 Ų3130.6 Ų30.632%0.3215%0.148SC..G310 helixtrans59-132.9-177.900000110.5H566 Y567G564-H566 PolarHBondContact O-N 3.15Å; G564-Y567 PolarHBondContact O-N 3.07Å; G564-Y567 VanDerWaalsContact O-N 3.08Å
565Y98.4Very high98.2Very high5 Ų525.6 Ų25.62%0.0213%0.125CC..G310 helixtrans-55.3-24177-68.6-63.3000114.1Q404 V405 E408 R563 D660 C661Q404-Y565 HydrophobicContact CB-CD1 4.26Å; Q404-Y565 HydrophobicContact CB-CE1 3.74Å; Q404-Y565 HydrophobicContact CG-CE1 3.76Å; V405-Y565 HydrophobicContact CB-CE1 4.44Å; E408-Y565 PolarHBondContact OE2-OH 3.05Å; R563-Y565 PolarHBondContact O-N 2.87Å; Y565-D660 HydrophobicContact CD2-CB 4.11Å; Y565-D660 HydrophobicContact CE2-CB 3.88Å; Y565-D660 WeakPolarHBondContact CE2-OD2 3.35Å; Y565-C661 HydrophobicContact CD1-CB 4.36Å; Y565-C661 HydrophobicContact CE1-CB 3.7Å
566H98.6Very high98.3Very high4 Ų422.2 Ų22.22%0.01911%0.109CC..G310 helixtrans-95.11.7-177.1-59.6-66.7000114.4R563 G564 T569 C570 I610 M612 D614 S667R563-H566 PolarHBondContact O-N 2.93Å; R563-H566 VanDerWaalsContact O-N 3.11Å; G564-H566 PolarHBondContact O-N 3.15Å; H566-T569 WeakPolarHBondContact O-CB 3.44Å; H566-T569 PolarHBondContact O-N 3.16Å; H566-C570 PolarHBondContact O-N 2.96Å; H566-C570 PolarHBondContact O-SG 3.15Å; H566-I610 HydrophobicContact CB-CB 4.19Å; H566-I610 HydrophobicContact CB-CD1 4.47Å; H566-I610 HydrophobicContact CB-CG2 3.82Å; H566-M612 VanDerWaalsContact CE1-CG 3.47Å; H566-M612 WeakPolarHBondContact CE1-CG 3.36Å; H566-M612 VanDerWaalsContact NE2-CB 3.35Å; H566-M612 WeakPolarHBondContact NE2-CB 3.22Å; H566-M612 WeakPolarHBondContact NE2-CG 3.44Å; H566-D614 IonicContact CD2-OD2 3.68Å; H566-S667 PolarHBondContact CE1-OG 3.33Å; H566-S667 PolarHBondContact ND1-OG 3Å
567Y98.7Very high98.4Very high81 Ų8113.7 Ų13.732%0.3187%0.072SC..Hα-helixtrans-62-46.5174177.2-132.4000111.1V400 G564 T569 C570 L571 L589V400-Y567 HydrophobicContact CG1-CD1 3.89Å; V400-Y567 HydrophobicContact CG1-CE1 4.31Å; G564-Y567 PolarHBondContact O-N 3.07Å; G564-Y567 VanDerWaalsContact O-N 3.08Å; Y567-T569 VanDerWaalsContact C-N 3.29Å; Y567-T569 PolarHBondContact O-N 2.72Å; Y567-C570 WeakPolarHBondContact O-CB 3.5Å; Y567-C570 PolarHBondContact O-N 3.44Å; Y567-C570 VanDerWaalsContact O-N 3.15Å; Y567-L571 HydrophobicContact CD1-CD1 4.3Å; Y567-L571 HydrophobicContact CD2-CG 4.33Å; Y567-L571 HydrophobicContact CE1-CD1 3.8Å; Y567-L571 HydrophobicContact CE2-CD1 4.06Å; Y567-L571 HydrophobicContact CE2-CD2 3.89Å; Y567-L571 HydrophobicContact CE2-CG 3.91Å; Y567-L571 PolarHBondContact O-N 3.36Å; Y567-L571 VanDerWaalsContact O-N 3.16Å; Y567-L589 HydrophobicContact CD2-CB 3.98Å; Y567-L589 HydrophobicContact CD2-CD1 3.81Å; Y567-L589 HydrophobicContact CD2-CG 4.46Å; Y567-L589 HydrophobicContact CE2-CB 3.83Å; Y567-L589 HydrophobicContact CE2-CD1 4.43Å; Y567-L589 HydrophobicContact CG-CD1 3.93Å
568A98.6Very high98.3Very high1 Ų116.1 Ų16.11%0.0088%0.079CC..Hα-helixtrans-60.7-38.3175.300000112.4V400 A401 C570 L571 E572V400-A568 HydrophobicContact CB-CB 4.05Å; V400-A568 HydrophobicContact CG1-CB 3.97Å; A401-A568 VanDerWaalsContact CA-CB 3.44Å; A401-A568 HydrophobicContact CB-CB 3.48Å; A401-A568 VanDerWaalsContact CB-CB 3.48Å; A568-C570 VanDerWaalsContact C-N 3.28Å; A568-C570 PolarHBondContact O-N 2.93Å; A568-L571 PolarHBondContact O-N 3.21Å; A568-E572 VanDerWaalsContact O-CB 3.32Å; A568-E572 WeakPolarHBondContact O-CB 3.49Å; A568-E572 PolarHBondContact O-N 2.97Å
569T98.8Very high98.1Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-58.3-40.3175.8-52.10000111.8H566 Y567 G573 I610 S667 V668 L671H566-T569 WeakPolarHBondContact O-CB 3.44Å; H566-T569 PolarHBondContact O-N 3.16Å; Y567-T569 VanDerWaalsContact C-N 3.29Å; Y567-T569 PolarHBondContact O-N 2.72Å; T569-G573 PolarHBondContact O-N 2.82Å; T569-I610 HydrophobicContact CG2-CD1 3.38Å; T569-S667 PolarHBondContact OG1-OG 3.26Å; T569-V668 HydrophobicContact CG2-CB 3.91Å; T569-V668 HydrophobicContact CG2-CG2 4.25Å; T569-L671 HydrophobicContact CG2-CD1 3.94Å
570C98.7Very high97.9Very high0 Ų017.8 Ų17.80%09%0.086CC..Hα-helixtrans-68.1-44.3177.1-59.60000112.6I560 G562 H566 Y567 A568 A574 I610I560-C570 HydrophobicContact CB-CB 4.28Å; I560-C570 HydrophobicContact CG2-CB 3.94Å; G562-C570 WeakPolarHBondContact CA-SG 3.45Å; G562-C570 PolarHBondContact N-SG 3.19Å; H566-C570 PolarHBondContact O-N 2.96Å; H566-C570 PolarHBondContact O-SG 3.15Å; Y567-C570 WeakPolarHBondContact O-CB 3.5Å; Y567-C570 PolarHBondContact O-N 3.44Å; Y567-C570 VanDerWaalsContact O-N 3.15Å; A568-C570 VanDerWaalsContact C-N 3.28Å; A568-C570 PolarHBondContact O-N 2.93Å; C570-A574 VanDerWaalsContact O-CB 3.27Å; C570-A574 WeakPolarHBondContact O-CB 3.31Å; C570-A574 PolarHBondContact O-N 3.01Å; C570-I610 VanDerWaalsContact SG-CD1 3.6Å
571L98.8Very high97.8Very high29 Ų2917.8 Ų17.815%0.1529%0.086CC..Hα-helixtrans-62.1-45.4177.5-63.6179.1000111.3Y567 A568 A574 L575Y567-L571 HydrophobicContact CD1-CD1 4.3Å; Y567-L571 HydrophobicContact CD2-CG 4.33Å; Y567-L571 HydrophobicContact CE1-CD1 3.8Å; Y567-L571 HydrophobicContact CE2-CD1 4.06Å; Y567-L571 HydrophobicContact CE2-CD2 3.89Å; Y567-L571 HydrophobicContact CE2-CG 3.91Å; Y567-L571 PolarHBondContact O-N 3.36Å; Y567-L571 VanDerWaalsContact O-N 3.16Å; A568-L571 PolarHBondContact O-N 3.21Å; L571-A574 PolarHBondContact O-N 3.36Å; L571-L575 WeakPolarHBondContact O-CB 3.01Å; L571-L575 PolarHBondContact O-N 3.03Å
572E98.7Very high97.7Very high0 Ų020.4 Ų20.40%010%0.097CC..Hα-helixtrans-67.3-47.2-179.9178.554.8-158.100111.9T394 H397 Y496 A568 A574 L575 K576 V668T394-E572 WeakPolarHBondContact CA-OE2 3.35Å; T394-E572 WeakPolarHBondContact CB-OE2 3.45Å; T394-E572 WeakPolarHBondContact CG2-OE1 3.5Å; T394-E572 WeakPolarHBondContact CG2-OE2 3.49Å; T394-E572 PolarHBondContact OG1-OE1 3Å; T394-E572 VanDerWaalsContact OG1-OE1 3.11Å; T394-E572 PolarHBondContact OG1-OE2 2.75Å; H397-E572 HydrophobicContact CB-CB 4.28Å; H397-E572 IonicContact CE1-OE2 3.65Å; H397-E572 IonicContact CG-OE2 3.73Å; H397-E572 WeakPolarHBondContact ND1-CA 3.49Å; H397-E572 IonicContact ND1-OE2 2.68Å; H397-E572 PolarHBondContact ND1-OE2 3.27Å; Y496-E572 HydrophobicContact CD2-CG 4.43Å; Y496-E572 HydrophobicContact CE2-CG 4.31Å; A568-E572 VanDerWaalsContact O-CB 3.32Å; A568-E572 WeakPolarHBondContact O-CB 3.49Å; A568-E572 PolarHBondContact O-N 2.97Å; E572-A574 VanDerWaalsContact C-N 3.29Å; E572-A574 PolarHBondContact O-N 2.98Å; E572-L575 WeakPolarHBondContact O-CB 3.38Å; E572-L575 PolarHBondContact O-N 3.41Å; E572-L575 VanDerWaalsContact O-N 3.08Å; E572-K576 WeakPolarHBondContact O-CG 3.41Å; E572-K576 PolarHBondContact O-N 3.31Å; E572-K576 VanDerWaalsContact OE1-CD 3.3Å; E572-K576 WeakPolarHBondContact OE1-CD 3.21Å; E572-K576 WeakPolarHBondContact OE1-CE 3.45Å; E572-K576 WeakPolarHBondContact OE1-CG 3.25Å; E572-K576 IonicContact OE1-NZ 3.69Å; E572-V668 HydrophobicContact CB-CG2 4.19Å; E572-V668 HydrophobicContact CG-CG2 3.74Å
573G98.5Very high97.7Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-59.7-40.4175.900000112.6T569 L575 K576 I577T569-G573 PolarHBondContact O-N 2.82Å; G573-L575 VanDerWaalsContact C-N 3.35Å; G573-K576 PolarHBondContact O-N 2.92Å; G573-I577 WeakPolarHBondContact O-CG1 3.38Å; G573-I577 PolarHBondContact O-N 3.26Å
574A98.6Very high97.7Very high0 Ų022.8 Ų22.80%011%0.11CC..Hα-helixtrans-68.3-35175.400000111.6I560 C570 L571 E572 K578 S585I560-A574 HydrophobicContact CD1-CB 4.06Å; C570-A574 VanDerWaalsContact O-CB 3.27Å; C570-A574 WeakPolarHBondContact O-CB 3.31Å; C570-A574 PolarHBondContact O-N 3.01Å; L571-A574 PolarHBondContact O-N 3.36Å; E572-A574 VanDerWaalsContact C-N 3.29Å; E572-A574 PolarHBondContact O-N 2.98Å; A574-K578 WeakPolarHBondContact O-CB 3.37Å; A574-K578 WeakPolarHBondContact O-CE 3.25Å; A574-K578 VanDerWaalsContact O-CG 3.26Å; A574-K578 WeakPolarHBondContact O-CG 3.2Å; A574-K578 PolarHBondContact O-N 3.14Å; A574-S585 PolarHBondContact O-OG 3.16Å
575L98.3Very high97.7Very high30 Ų3021.3 Ų21.316%0.15710%0.095CC..Hα-helixtrans-65.7-47.1173.5-178.260.6000111.4L571 E572 G573 I577 K578 E579L571-L575 WeakPolarHBondContact O-CB 3.01Å; L571-L575 PolarHBondContact O-N 3.03Å; E572-L575 WeakPolarHBondContact O-CB 3.38Å; E572-L575 PolarHBondContact O-N 3.41Å; E572-L575 VanDerWaalsContact O-N 3.08Å; G573-L575 VanDerWaalsContact C-N 3.35Å; L575-I577 PolarHBondContact O-N 2.89Å; L575-K578 WeakPolarHBondContact O-CB 3.35Å; L575-K578 PolarHBondContact O-N 2.89Å; L575-E579 HydrophobicContact CD1-CG 3.98Å; L575-E579 VanDerWaalsContact CD1-OE1 3.31Å; L575-E579 WeakPolarHBondContact CD1-OE1 3.37Å; L575-E579 HydrophobicContact CG-CG 4.28Å; L575-E579 VanDerWaalsContact CG-OE1 3.24Å; L575-E579 WeakPolarHBondContact CG-OE1 3.4Å; L575-E579 WeakPolarHBondContact O-CB 3.48Å; L575-E579 WeakPolarHBondContact O-CG 3.48Å; L575-E579 PolarHBondContact O-N 3.19Å
576K98.1Very high97.7Very high2 Ų225 Ų251%0.00911%0.112CC..Hα-helixtrans-59.1-48.3177.7-66.1-51.389.4171.40112.1T394 A491 E572 G573 K578 E579 I580 A675T394-K576 PolarHBondContact OG1-NZ 3.36Å; T394-K576 VanDerWaalsContact OG1-NZ 3.08Å; A491-K576 HydrophobicContact CB-CD 4.12Å; E572-K576 WeakPolarHBondContact O-CG 3.41Å; E572-K576 PolarHBondContact O-N 3.31Å; E572-K576 VanDerWaalsContact OE1-CD 3.3Å; E572-K576 WeakPolarHBondContact OE1-CD 3.21Å; E572-K576 WeakPolarHBondContact OE1-CE 3.45Å; E572-K576 WeakPolarHBondContact OE1-CG 3.25Å; E572-K576 IonicContact OE1-NZ 3.69Å; G573-K576 PolarHBondContact O-N 2.92Å; K576-K578 VanDerWaalsContact C-N 3.34Å; K576-K578 PolarHBondContact O-N 2.92Å; K576-E579 VanDerWaalsContact CE-OE2 3.24Å; K576-E579 WeakPolarHBondContact CE-OE2 3.46Å; K576-E579 IonicContact NZ-OE1 2.93Å; K576-E579 IonicContact NZ-OE2 2.93Å; K576-E579 PolarHBondContact NZ-OE2 3.47Å; K576-E579 PolarHBondContact O-N 3.3Å; K576-I580 WeakPolarHBondContact O-CG1 3.43Å; K576-I580 PolarHBondContact O-N 2.91Å; K576-A675 HydrophobicContact CB-CB 3.93Å
577I98.1Very high97.7Very high1 Ų125.5 Ų25.51%0.00512%0.118CC..Hα-helixtrans-61.8-43.4178.7-67.6174000110.3V558 I560 G573 L575 T581 M583 S585 L674 A675 L678V558-I577 HydrophobicContact CG1-CD1 4.25Å; V558-I577 HydrophobicContact CG1-CG2 4.28Å; I560-I577 HydrophobicContact CD1-CD1 4.06Å; G573-I577 WeakPolarHBondContact O-CG1 3.38Å; G573-I577 PolarHBondContact O-N 3.26Å; L575-I577 PolarHBondContact O-N 2.89Å; I577-T581 HydrophobicContact CG2-CG2 4.29Å; I577-T581 WeakPolarHBondContact CG2-OG1 3.26Å; I577-T581 VanDerWaalsContact O-CB 3.27Å; I577-T581 WeakPolarHBondContact O-CB 3.41Å; I577-T581 WeakPolarHBondContact O-CG2 3.41Å; I577-T581 PolarHBondContact O-N 3.49Å; I577-T581 VanDerWaalsContact O-N 3.07Å; I577-T581 PolarHBondContact O-OG1 3.16Å; I577-M583 HydrophobicContact CG2-CB 3.87Å; I577-M583 HydrophobicContact CG2-CG 4.48Å; I577-M583 HydrophobicContact CG2-SD 4.18Å; I577-S585 VanDerWaalsContact CB-OG 3.3Å; I577-S585 WeakPolarHBondContact CB-OG 3.17Å; I577-S585 WeakPolarHBondContact CG2-OG 3.45Å; I577-L674 HydrophobicContact CD1-CD2 4.15Å; I577-A675 HydrophobicContact CG1-CB 3.77Å; I577-L678 HydrophobicContact CG2-CD1 4.45Å
578K96.6Very high97.7Very high85 Ų8522.1 Ų22.137%0.3711%0.106SC..Hα-helixtrans-56.9-52.2174.1-81.5172.4-124.1135.90112.4A574 L575 K576 I580 Y582 S585A574-K578 WeakPolarHBondContact O-CB 3.37Å; A574-K578 WeakPolarHBondContact O-CE 3.25Å; A574-K578 VanDerWaalsContact O-CG 3.26Å; A574-K578 WeakPolarHBondContact O-CG 3.2Å; A574-K578 PolarHBondContact O-N 3.14Å; L575-K578 WeakPolarHBondContact O-CB 3.35Å; L575-K578 PolarHBondContact O-N 2.89Å; K576-K578 VanDerWaalsContact C-N 3.34Å; K576-K578 PolarHBondContact O-N 2.92Å; K578-I580 PolarHBondContact O-N 2.88Å; K578-Y582 WeakPolarHBondContact O-CA 3.46Å; K578-Y582 PolarHBondContact O-N 3.14Å; K578-S585 WeakPolarHBondContact CE-O 3.28Å; K578-S585 WeakPolarHBondContact CG-OG 3.39Å; K578-S585 PolarHBondContact N-OG 3.45Å
579E94.1Very high97.7Very high40 Ų4024.9 Ų24.919%0.18712%0.12CC..Hα-helixtrans-61.5-46.4-170.6-78.5175.6-177.300112.8L575 K576 Y582 P689 L692L575-E579 HydrophobicContact CD1-CG 3.98Å; L575-E579 VanDerWaalsContact CD1-OE1 3.31Å; L575-E579 WeakPolarHBondContact CD1-OE1 3.37Å; L575-E579 HydrophobicContact CG-CG 4.28Å; L575-E579 VanDerWaalsContact CG-OE1 3.24Å; L575-E579 WeakPolarHBondContact CG-OE1 3.4Å; L575-E579 WeakPolarHBondContact O-CB 3.48Å; L575-E579 WeakPolarHBondContact O-CG 3.48Å; L575-E579 PolarHBondContact O-N 3.19Å; K576-E579 VanDerWaalsContact CE-OE2 3.24Å; K576-E579 WeakPolarHBondContact CE-OE2 3.46Å; K576-E579 IonicContact NZ-OE1 2.93Å; K576-E579 IonicContact NZ-OE2 2.93Å; K576-E579 PolarHBondContact NZ-OE2 3.47Å; K576-E579 PolarHBondContact O-N 3.3Å; E579-Y582 VanDerWaalsContact O-CE1 3.24Å; E579-Y582 WeakPolarHBondContact O-CE1 3.2Å; E579-P689 VanDerWaalsContact O-CB 3.31Å; E579-P689 WeakPolarHBondContact O-CB 3.3Å; E579-L692 HydrophobicContact CB-CD1 4.31Å; E579-L692 HydrophobicContact CG-CD1 4.06Å
580I95.1Very high97.5Very high1 Ų125.2 Ų25.21%0.00512%0.122CC..Hα-helixtrans-106.5-22.9-169.671.5-168000114M343 A491 K576 K578 A675 A679 P689M343-I580 HydrophobicContact CE-CD1 3.33Å; M343-I580 HydrophobicContact SD-CD1 3.41Å; M343-I580 WeakPolarHBondContact SD-CD1 3.23Å; M343-I580 HydrophobicContact SD-CG2 4.29Å; A491-I580 HydrophobicContact CB-CG2 3.92Å; K576-I580 WeakPolarHBondContact O-CG1 3.43Å; K576-I580 PolarHBondContact O-N 2.91Å; K578-I580 PolarHBondContact O-N 2.88Å; I580-A675 VanDerWaalsContact CD1-C 3.47Å; I580-A675 HydrophobicContact CD1-CB 3.53Å; I580-A675 HydrophobicContact CG1-CB 3.99Å; I580-A679 HydrophobicContact CB-CB 4.36Å; I580-A679 HydrophobicContact CG1-CB 4.1Å; I580-A679 WeakPolarHBondContact O-CB 3.45Å; I580-P689 HydrophobicContact CG2-CB 4.43Å
581T96.8Very high97.4Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-102.2-17.8-179.184.10000112.6I577 M583 A675 L678 A679 R682 Y684I577-T581 HydrophobicContact CG2-CG2 4.29Å; I577-T581 WeakPolarHBondContact CG2-OG1 3.26Å; I577-T581 VanDerWaalsContact O-CB 3.27Å; I577-T581 WeakPolarHBondContact O-CB 3.41Å; I577-T581 WeakPolarHBondContact O-CG2 3.41Å; I577-T581 PolarHBondContact O-N 3.49Å; I577-T581 VanDerWaalsContact O-N 3.07Å; I577-T581 PolarHBondContact O-OG1 3.16Å; T581-M583 PolarHBondContact O-N 3.4Å; T581-M583 VanDerWaalsContact OG1-CB 3.23Å; T581-M583 WeakPolarHBondContact OG1-CB 3.29Å; T581-M583 PolarHBondContact OG1-N 2.69Å; T581-M583 VanDerWaalsContact OG1-N 3.11Å; T581-A675 HydrophobicContact CG2-CB 4.41Å; T581-A675 VanDerWaalsContact CG2-O 3.22Å; T581-A675 WeakPolarHBondContact CG2-O 3.42Å; T581-L678 HydrophobicContact CG2-CB 3.48Å; T581-L678 VanDerWaalsContact CG2-CB 3.48Å; T581-L678 HydrophobicContact CG2-CD1 4.28Å; T581-A679 HydrophobicContact CG2-CB 4.3Å; T581-R682 PolarHBondContact O-NH1 3.35Å; T581-Y684 VanDerWaalsContact O-CE2 3.3Å; T581-Y684 WeakPolarHBondContact O-CE2 3.24Å
582Y96.4Very high97.2Very high56 Ų5629.9 Ų29.922%0.2215%0.152CC..  trans56.616.5-171.7-38.6-50.5000114.9K578 E579 Y684 P689 R690K578-Y582 WeakPolarHBondContact O-CA 3.46Å; K578-Y582 PolarHBondContact O-N 3.14Å; E579-Y582 VanDerWaalsContact O-CE1 3.24Å; E579-Y582 WeakPolarHBondContact O-CE1 3.2Å; Y582-Y684 AromaticContact CD2-CD2 3.63Å; Y582-Y684 HydrophobicContact CD2-CD2 3.63Å; Y582-Y684 HydrophobicContact CD2-CE1 4.36Å; Y582-Y684 AromaticContact CD2-CE2 3.32Å; Y582-Y684 HydrophobicContact CD2-CE2 3.32Å; Y582-Y684 HydrophobicContact CD2-CG 4.28Å; Y582-Y684 AromaticContact CD2-CZ 3.74Å; Y582-Y684 HydrophobicContact CE2-CD1 4.12Å; Y582-Y684 AromaticContact CE2-CD2 3.56Å; Y582-Y684 HydrophobicContact CE2-CD2 3.56Å; Y582-Y684 HydrophobicContact CE2-CE1 4.26Å; Y582-Y684 AromaticContact CE2-CE2 3.72Å; Y582-Y684 HydrophobicContact CE2-CE2 3.72Å; Y582-Y684 AromaticContact CE2-CG 3.79Å; Y582-Y684 HydrophobicContact CE2-CG 3.79Å; Y582-Y684 HydrophobicContact CG-CE2 4.33Å; Y582-P689 WeakPolarHBondContact OH-CA 3.41Å; Y582-R690 VanDerWaalsContact CB-NH2 3.32Å; Y582-R690 HydrophobicContact CD1-CG 4.32Å; Y582-R690 HydrophobicContact CE1-CG 3.58Å; Y582-R690 HydrophobicContact CE2-CG 4.2Å; Y582-R690 VanDerWaalsContact CG-NH2 3.35Å; Y582-R690 PolarHBondContact OH-N 3.19Å
583M96.2Very high96.9Very high3 Ų329.9 Ų29.92%0.01515%0.152CC..  trans-73.1140166.5-170.3-172.9-69.900109.1L552 Q555 K556 V558 I577 T581 S585 L678L552-M583 VanDerWaalsContact O-CE 3.23Å; L552-M583 WeakPolarHBondContact O-CE 3.14Å; Q555-M583 HydrophobicContact CB-CE 4.28Å; K556-M583 VanDerWaalsContact O-CG 3.24Å; K556-M583 WeakPolarHBondContact O-CG 3.22Å; V558-M583 HydrophobicContact CB-SD 3.9Å; V558-M583 HydrophobicContact CG1-SD 3.47Å; V558-M583 WeakPolarHBondContact CG1-SD 3.12Å; I577-M583 HydrophobicContact CG2-CB 3.87Å; I577-M583 HydrophobicContact CG2-CG 4.48Å; I577-M583 HydrophobicContact CG2-SD 4.18Å; T581-M583 PolarHBondContact O-N 3.4Å; T581-M583 VanDerWaalsContact OG1-CB 3.23Å; T581-M583 WeakPolarHBondContact OG1-CB 3.29Å; T581-M583 PolarHBondContact OG1-N 2.69Å; T581-M583 VanDerWaalsContact OG1-N 3.11Å; M583-S585 VanDerWaalsContact C-N 3.34Å; M583-S585 PolarHBondContact O-N 3.31Å; M583-L678 HydrophobicContact CE-CD1 4Å; M583-L678 HydrophobicContact CE-CD2 4.06Å
584H98.2Very high96.5Very high110 Ų11036.5 Ų36.551%0.50918%0.181SC..EExtended strand (participates in β ladder)trans-72.692.3171.8-179.2-151.2000109.8K556 S557 V558K556-H584 PolarHBondContact O-N 2.81Å; S557-H584 CarbonylContact C-O 3.56Å; S557-H584 WeakPolarHBondContact CA-O 3.43Å; S557-H584 WeakPolarHBondContact CB-O 3.48Å; V558-H584 PolarHBondContact N-O 2.94Å
585S98.1Very high96.4Very high0 Ų043.4 Ų43.40%021%0.213CC..EExtended strand (participates in β ladder)trans-101.3145.8174.146.50000110.4V558 A574 I577 K578 M583V558-S585 VanDerWaalsContact CG1-CB 3.46Å; V558-S585 CarbonylContact O-C 3.58Å; V558-S585 WeakPolarHBondContact O-CA 3.32Å; A574-S585 PolarHBondContact O-OG 3.16Å; I577-S585 VanDerWaalsContact CB-OG 3.3Å; I577-S585 WeakPolarHBondContact CB-OG 3.17Å; I577-S585 WeakPolarHBondContact CG2-OG 3.45Å; K578-S585 WeakPolarHBondContact CE-O 3.28Å; K578-S585 WeakPolarHBondContact CG-OG 3.39Å; K578-S585 PolarHBondContact N-OG 3.45Å; M583-S585 VanDerWaalsContact C-N 3.34Å; M583-S585 PolarHBondContact O-N 3.31Å
586E98.4Very high96.3Very high82 Ų8244 Ų4438%0.38323%0.226SC..EExtended strand (participates in β ladder)trans-138.6131.7-179.9-169178.9174.500110.4V558 L559 I560 I588V558-E586 PolarHBondContact O-N 3.17Å; L559-E586 HydrophobicContact CD2-CB 4.03Å; I560-E586 PolarHBondContact N-O 2.83Å; E586-I588 HydrophobicContact CG-CG1 4.3Å
587G98.2Very high96.2Very high14 Ų1445.8 Ų45.814%0.14424%0.238CC..EExtended strand (participates in β ladder)trans-92116.917700000110.2I560I560-G587 CarbonylContact O-C 3.57Å; I560-G587 WeakPolarHBondContact O-CA 3.24Å
588I98.1Very high96.1Very high11 Ų1147 Ų476%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-114.9131.3-175.7-64.1168.5000109.7L559 I560 M561 G562 E586 A590 L593 P597L559-I588 HydrophobicContact CB-CD1 4.28Å; L559-I588 HydrophobicContact CD1-CD1 3.99Å; L559-I588 HydrophobicContact CD2-CD1 3.87Å; L559-I588 HydrophobicContact CG-CD1 4.26Å; I560-I588 PolarHBondContact O-N 3.01Å; M561-I588 WeakPolarHBondContact CA-O 3.43Å; M561-I588 HydrophobicContact CG-CB 4.41Å; G562-I588 PolarHBondContact N-O 2.7Å; E586-I588 HydrophobicContact CG-CG1 4.3Å; I588-A590 PolarHBondContact O-N 2.7Å; I588-L593 HydrophobicContact CG2-CD2 3.99Å; I588-P597 HydrophobicContact CD1-CB 4.01Å; I588-P597 HydrophobicContact CG2-CB 4.12Å; I588-P597 HydrophobicContact CG2-CG 4.38Å
589L98.1Very high96.1Very high59 Ų5947.4 Ų47.431%0.30926%0.263SS..EExtended strand (participates in β ladder)trans-67117.9170.7-177.261.9000109.3G562 R563 Y567 G591 E592G562-L589 WeakPolarHBondContact O-CA 3.48Å; R563-L589 HydrophobicContact CB-CD1 3.93Å; Y567-L589 HydrophobicContact CD2-CB 3.98Å; Y567-L589 HydrophobicContact CD2-CD1 3.81Å; Y567-L589 HydrophobicContact CD2-CG 4.46Å; Y567-L589 HydrophobicContact CE2-CB 3.83Å; Y567-L589 HydrophobicContact CE2-CD1 4.43Å; Y567-L589 HydrophobicContact CG-CD1 3.93Å; L589-G591 PolarHBondContact O-N 2.85Å; L589-E592 HydrophobicContact CB-CG 4.23Å; L589-E592 HydrophobicContact CD2-CG 4.16Å; L589-E592 HydrophobicContact CG-CG 4.44Å; L589-E592 WeakPolarHBondContact O-CB 3.35Å; L589-E592 PolarHBondContact O-N 3.31Å
590A96.3Very high96.2Very high6 Ų649.6 Ų49.65%0.0528%0.276CS..G310 helixtrans-60.5-23.6-172.200000113.9G562 R563 I588 E592 L593 A623G562-A590 PolarHBondContact O-N 2.75Å; R563-A590 HydrophobicContact CB-CB 4.34Å; I588-A590 PolarHBondContact O-N 2.7Å; A590-E592 VanDerWaalsContact C-N 3.28Å; A590-E592 PolarHBondContact O-N 2.74Å; A590-L593 WeakPolarHBondContact O-CD1 3.3Å; A590-L593 WeakPolarHBondContact O-CG 3.33Å; A590-A623 HydrophobicContact CB-CB 4.1Å
591G94.9Very high96.3Very high32 Ų3250.1 Ų50.133%0.3328%0.279SS..G310 helixtrans-66.7-27.6172.900000113.8L589L589-G591 PolarHBondContact O-N 2.85Å
592E95.4Very high96.2Very high95 Ų9553.3 Ų53.344%0.44430%0.296SS..G310 helixtrans-86.7-5.1-174.7-68.3-58.4108.300113.6L589 A590 K594 H595 P597L589-E592 HydrophobicContact CB-CG 4.23Å; L589-E592 HydrophobicContact CD2-CG 4.16Å; L589-E592 HydrophobicContact CG-CG 4.44Å; L589-E592 WeakPolarHBondContact O-CB 3.35Å; L589-E592 PolarHBondContact O-N 3.31Å; A590-E592 VanDerWaalsContact C-N 3.28Å; A590-E592 PolarHBondContact O-N 2.74Å; E592-K594 VanDerWaalsContact C-N 3.29Å; E592-K594 PolarHBondContact O-N 2.9Å; E592-K594 VanDerWaalsContact O-N 3.16Å; E592-H595 WeakPolarHBondContact O-CB 3.45Å; E592-H595 PolarHBondContact O-N 2.72Å; E592-H595 IonicContact OE1-CD2 2.83Å; E592-P597 WeakPolarHBondContact O-CD 3.49Å
593L92.6Very high96.2Very high0 Ų057.3 Ų57.30%032%0.315CS..G310 helixtrans-51.3-46.9-174.5-72.6173.3000112.8M561 I588 A590 H595 G596 L598 A623 V627M561-L593 HydrophobicContact CE-CD2 3.59Å; M561-L593 HydrophobicContact CG-CD2 4.38Å; M561-L593 HydrophobicContact SD-CD1 3.92Å; M561-L593 HydrophobicContact SD-CD2 3.57Å; M561-L593 VanDerWaalsContact SD-CD2 3.57Å; M561-L593 HydrophobicContact SD-CG 4.35Å; I588-L593 HydrophobicContact CG2-CD2 3.99Å; A590-L593 WeakPolarHBondContact O-CD1 3.3Å; A590-L593 WeakPolarHBondContact O-CG 3.33Å; L593-H595 PolarHBondContact O-N 3.34Å; L593-G596 PolarHBondContact O-N 2.89Å; L593-L598 HydrophobicContact CB-CB 4.21Å; L593-L598 WeakPolarHBondContact O-CB 3.43Å; L593-L598 PolarHBondContact O-N 2.78Å; L593-A623 HydrophobicContact CD1-CB 3.96Å; L593-V627 HydrophobicContact CD1-CG2 4.31Å
594K91.1Very high96.1Very high139 Ų13962.9 Ų62.960%0.60434%0.344SS*.G310 helixtrans-69.7-11.4-179-74.1179.6170.71660114.3E592 G596 Q626E592-K594 VanDerWaalsContact C-N 3.29Å; E592-K594 PolarHBondContact O-N 2.9Å; E592-K594 VanDerWaalsContact O-N 3.16Å; K594-G596 VanDerWaalsContact C-N 3.31Å; K594-Q626 VanDerWaalsContact CE-NE2 3.27Å
595H95.6Very high96.1Very high146 Ų14659.6 Ų59.668%0.67633%0.329SS*.G310 helixtrans-92.29.7-178.4-62.8-74.3000113E592 L593E592-H595 WeakPolarHBondContact O-CB 3.45Å; E592-H595 PolarHBondContact O-N 2.72Å; E592-H595 IonicContact OE1-CD2 2.83Å; L593-H595 PolarHBondContact O-N 3.34Å
596G95.1Very high96.1Very high41 Ų4160.5 Ų60.542%0.42334%0.335SS..THydrogen-bonded Turntrans147.6-5317400000113.7L593 K594 L598 A599L593-G596 PolarHBondContact O-N 2.89Å; K594-G596 VanDerWaalsContact C-N 3.31Å; G596-L598 PolarHBondContact O-N 2.94Å; G596-A599 VanDerWaalsContact O-CB 3.27Å; G596-A599 WeakPolarHBondContact O-CB 3.4Å; G596-A599 PolarHBondContact O-N 3.06Å
597P96.2Very high96.1Very high41 Ų4156.8 Ų56.827%0.26632%0.318SS..G310 helixtrans-58.6-25.7-171.3-27.234.4000115.5I588 E592 A599 L600I588-P597 HydrophobicContact CD1-CB 4.01Å; I588-P597 HydrophobicContact CG2-CB 4.12Å; I588-P597 HydrophobicContact CG2-CG 4.38Å; E592-P597 WeakPolarHBondContact O-CD 3.49Å; P597-A599 PolarHBondContact O-N 2.87Å; P597-A599 VanDerWaalsContact O-N 3.14Å; P597-L600 WeakPolarHBondContact O-CB 3.46Å; P597-L600 PolarHBondContact O-N 3.5Å; P597-L600 VanDerWaalsContact O-N 3.09Å
598L95.9Very high96.1Very high25 Ų2556.2 Ų56.213%0.13131%0.312CS..G310 helixtrans-60.3-21.7175.3-173.962.2000113.1L593 G596 L600 V601 Q626 V627 R630L593-L598 HydrophobicContact CB-CB 4.21Å; L593-L598 WeakPolarHBondContact O-CB 3.43Å; L593-L598 PolarHBondContact O-N 2.78Å; G596-L598 PolarHBondContact O-N 2.94Å; L598-L600 PolarHBondContact O-N 2.77Å; L598-V601 HydrophobicContact CD1-CB 4.15Å; L598-V601 HydrophobicContact CD1-CG2 3.97Å; L598-V601 WeakPolarHBondContact O-CB 3.48Å; L598-V601 PolarHBondContact O-N 2.84Å; L598-V601 VanDerWaalsContact O-N 3.08Å; L598-Q626 HydrophobicContact CD2-CB 4.34Å; L598-V627 HydrophobicContact CD1-CG2 4.41Å; L598-R630 HydrophobicContact CD1-CG 4.3Å; L598-R630 HydrophobicContact CG-CG 4.35Å
599A96.7Very high96.1Very high94 Ų9455.9 Ų55.978%0.77731%0.31SS*.G310 helixtrans-63.7-20.8175.700000113.4G596 P597 V601G596-A599 VanDerWaalsContact O-CB 3.27Å; G596-A599 WeakPolarHBondContact O-CB 3.4Å; G596-A599 PolarHBondContact O-N 3.06Å; P597-A599 PolarHBondContact O-N 2.87Å; P597-A599 VanDerWaalsContact O-N 3.14Å; A599-V601 VanDerWaalsContact C-N 3.29Å
600L96.5Very high96.1Very high87 Ų8753.2 Ų53.246%0.45530%0.296SS..G310 helixtrans-78.4-14.6175.5-60.7177.1000113L559 P597 L598 D602 M605L559-L600 HydrophobicContact CD1-CB 4.04Å; L559-L600 HydrophobicContact CD1-CD1 4.34Å; P597-L600 WeakPolarHBondContact O-CB 3.46Å; P597-L600 PolarHBondContact O-N 3.5Å; P597-L600 VanDerWaalsContact O-N 3.09Å; L598-L600 PolarHBondContact O-N 2.77Å; L600-D602 PolarHBondContact O-N 2.9Å; L600-M605 WeakPolarHBondContact O-CB 3.3Å
601V97.1Very high96.3Very high11 Ų1153 Ų537%0.06729%0.294CS..  trans-82.7120.5-174.7178.30000110.2M561 L598 A599 V627 R630M561-V601 HydrophobicContact CE-CG2 4Å; L598-V601 HydrophobicContact CD1-CB 4.15Å; L598-V601 HydrophobicContact CD1-CG2 3.97Å; L598-V601 WeakPolarHBondContact O-CB 3.48Å; L598-V601 PolarHBondContact O-N 2.84Å; L598-V601 VanDerWaalsContact O-N 3.08Å; A599-V601 VanDerWaalsContact C-N 3.29Å; V601-V627 HydrophobicContact CG1-CB 4.48Å; V601-V627 HydrophobicContact CG1-CG1 3.87Å; V601-R630 HydrophobicContact CB-CB 4.46Å; V601-R630 HydrophobicContact CG1-CB 4.06Å
602D95.2Very high96.4Very high68 Ų6851.6 Ų51.636%0.36428%0.279SS..SBendtrans-142.7-168.2167.870.210.3000110.2L600 L604 M605 G632L600-D602 PolarHBondContact O-N 2.9Å; D602-L604 PolarHBondContact O-N 3.25Å; D602-L604 WeakPolarHBondContact OD1-CA 2.98Å; D602-L604 WeakPolarHBondContact OD1-CB 3.16Å; D602-L604 PolarHBondContact OD1-N 3.3Å; D602-M605 PolarHBondContact OD1-N 3.13Å; D602-G632 WeakPolarHBondContact O-CA 3.1Å
603K95.5Very high96.5Very high139 Ų13952.3 Ų52.360%0.60428%0.277SS*.SBendtrans-69.5-14.1178.267.4-174.8177.1-178.60115Q631K603-Q631 WeakPolarHBondContact CA-O 3.41Å; K603-Q631 HydrophobicContact CB-CB 4.2Å
604L95.6Very high96.7Very high121 Ų12153.3 Ų53.363%0.63428%0.283SS*.SBendtrans-101.7-36.3-175.6-60.2179.6000111.8D602 P606D602-L604 PolarHBondContact O-N 3.25Å; D602-L604 WeakPolarHBondContact OD1-CA 2.98Å; D602-L604 WeakPolarHBondContact OD1-CB 3.16Å; D602-L604 PolarHBondContact OD1-N 3.3Å; L604-P606 WeakPolarHBondContact O-CD 3.42Å
605M97.1Very high97Very high40 Ų4052.2 Ų52.220%0.19728%0.28CS..SBendtrans-64.4115.4-179.8-178.355.768.600110.8L559 L600 D602 V607L559-M605 HydrophobicContact CD1-CG 3.94Å; L559-M605 HydrophobicContact CD1-SD 4.37Å; L559-M605 HydrophobicContact CG-CG 4.09Å; L559-M605 HydrophobicContact CG-SD 4.01Å; L600-M605 WeakPolarHBondContact O-CB 3.3Å; D602-M605 PolarHBondContact OD1-N 3.13Å; M605-V607 HydrophobicContact CG-CG2 4.41Å; M605-V607 PolarHBondContact O-N 2.97Å
606P97.9Very high97.1Very high19 Ų1945.5 Ų45.512%0.12325%0.249CC..  trans-67.8132.2174.1-18.433.6000110.7L552 Q555 S557 V558 L559 L604L552-P606 HydrophobicContact CD2-CB 3.78Å; L552-P606 HydrophobicContact CD2-CG 4.31Å; Q555-P606 HydrophobicContact CB-CG 3.85Å; Q555-P606 HydrophobicContact CG-CG 3.55Å; S557-P606 VanDerWaalsContact O-CD 3.25Å; S557-P606 WeakPolarHBondContact O-CD 3.4Å; S557-P606 VanDerWaalsContact O-CG 3.3Å; S557-P606 WeakPolarHBondContact O-CG 3.44Å; V558-P606 WeakPolarHBondContact CA-O 3.33Å; V558-P606 HydrophobicContact CB-CB 4.29Å; V558-P606 HydrophobicContact CG2-CB 4.12Å; L559-P606 PolarHBondContact N-O 3.09Å; L604-P606 WeakPolarHBondContact O-CD 3.42Å
607V98.3Very high97.2Very high4 Ų445.3 Ų45.32%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-127.5134.3178.3-178.30000109L559 M561 M605 M609 V627 P634 V635L559-V607 HydrophobicContact CB-CG2 4.46Å; L559-V607 CarbonylContact O-C 3.58Å; L559-V607 WeakPolarHBondContact O-CA 3.37Å; M561-V607 HydrophobicContact CE-CG1 3.78Å; M561-V607 HydrophobicContact CE-CG2 4.25Å; M561-V607 HydrophobicContact CG-CG1 4.23Å; M561-V607 HydrophobicContact SD-CG1 3.68Å; M605-V607 HydrophobicContact CG-CG2 4.41Å; M605-V607 PolarHBondContact O-N 2.97Å; V607-M609 HydrophobicContact CG1-CG 3.76Å; V607-V627 HydrophobicContact CG1-CG1 4.41Å; V607-V627 HydrophobicContact CG2-CG1 4.48Å; V607-P634 HydrophobicContact CB-CB 4.05Å; V607-P634 HydrophobicContact CG1-CB 4.04Å; V607-P634 CarbonylContact O-C 3.56Å; V607-P634 WeakPolarHBondContact O-CA 3.01Å; V607-V635 PolarHBondContact O-N 3.03Å
608I98.7Very high97.3Very high3 Ų346.9 Ų46.92%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-113.4125.3168-57.9174.8000107.3L552 V558 L559 I560 M561 V635 I637 L671 L674L552-I608 HydrophobicContact CD1-CD1 4.34Å; V558-I608 HydrophobicContact CG2-CD1 3.94Å; V558-I608 HydrophobicContact CG2-CG1 3.94Å; L559-I608 PolarHBondContact O-N 3.2Å; I560-I608 CarbonylContact C-O 3.53Å; I560-I608 VanDerWaalsContact CA-O 3.3Å; I560-I608 WeakPolarHBondContact CA-O 3.47Å; I560-I608 HydrophobicContact CG1-CB 4.48Å; I560-I608 HydrophobicContact CG2-CB 4.32Å; I560-I608 HydrophobicContact CG2-CG2 4.43Å; M561-I608 PolarHBondContact N-O 3.44Å; I608-V635 CarbonylContact C-O 3.54Å; I608-V635 VanDerWaalsContact CA-O 3.28Å; I608-V635 WeakPolarHBondContact CA-O 3.04Å; I608-V635 HydrophobicContact CG1-CB 4.39Å; I608-I637 HydrophobicContact CG2-CD1 4.07Å; I608-I637 HydrophobicContact CG2-CG1 4.09Å; I608-L671 HydrophobicContact CD1-CD2 4.25Å; I608-L671 HydrophobicContact CG2-CD2 4.25Å; I608-L674 HydrophobicContact CD1-CD2 3.5Å; I608-L674 VanDerWaalsContact CD1-CD2 3.5Å
609M98.7Very high97.4Very high4 Ų451.2 Ų51.22%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-115.3141.6177.6-58.5-167.46900110.8M561 V607 I611 A623 L624 V627 P634 V635 V636 I637M561-M609 HydrophobicContact CB-CE 4.35Å; M561-M609 HydrophobicContact CB-CG 4.25Å; M561-M609 CarbonylContact O-C 3.57Å; M561-M609 WeakPolarHBondContact O-CA 3.47Å; M561-M609 HydrophobicContact SD-CE 4.4Å; M561-M609 HydrophobicContact SD-CG 4.47Å; V607-M609 HydrophobicContact CG1-CG 3.76Å; M609-I611 HydrophobicContact CB-CG1 4.47Å; M609-A623 HydrophobicContact CE-CB 3.87Å; M609-L624 HydrophobicContact CE-CB 4.31Å; M609-L624 HydrophobicContact SD-CB 4.2Å; M609-L624 HydrophobicContact SD-CD1 3.73Å; M609-V627 HydrophobicContact CE-CG2 4.34Å; M609-V627 HydrophobicContact SD-CB 4.16Å; M609-V627 HydrophobicContact SD-CG1 4.42Å; M609-V627 HydrophobicContact SD-CG2 3.92Å; M609-P634 HydrophobicContact CG-CB 3.83Å; M609-P634 HydrophobicContact CG-CG 4.5Å; M609-P634 HydrophobicContact SD-CB 4.07Å; M609-P634 HydrophobicContact SD-CG 4.13Å; M609-V635 PolarHBondContact N-O 3.03Å; M609-V636 HydrophobicContact CB-CG2 4.39Å; M609-V636 CarbonylContact O-C 3.43Å; M609-V636 WeakPolarHBondContact O-CA 2.92Å; M609-I637 PolarHBondContact O-N 3.02Å
610I98.8Very high97.4Very high3 Ų347 Ų472%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-108.4116176.7-48.8-178000108.4M561 H566 T569 C570 M612 I637 L671M561-I610 PolarHBondContact O-N 3.02Å; H566-I610 HydrophobicContact CB-CB 4.19Å; H566-I610 HydrophobicContact CB-CD1 4.47Å; H566-I610 HydrophobicContact CB-CG2 3.82Å; T569-I610 HydrophobicContact CG2-CD1 3.38Å; C570-I610 VanDerWaalsContact SG-CD1 3.6Å; I610-M612 HydrophobicContact CG2-CE 3.75Å; I610-M612 HydrophobicContact CG2-CG 4.18Å; I610-I637 WeakPolarHBondContact CA-O 3.21Å; I610-L671 HydrophobicContact CD1-CD1 4.3Å
611I98.4Very high97.5Very high0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-130.899.4-176.4-52.3-175.7000108.6M609 Y617 C620 L624 V636 I637 C638M609-I611 HydrophobicContact CB-CG1 4.47Å; I611-Y617 HydrophobicContact CG2-CD2 4.07Å; I611-Y617 HydrophobicContact CG2-CE2 4.01Å; I611-C620 HydrophobicContact CB-CB 4.34Å; I611-C620 HydrophobicContact CG1-CB 4.11Å; I611-C620 HydrophobicContact CG2-CB 3.87Å; I611-L624 HydrophobicContact CD1-CB 3.83Å; I611-L624 HydrophobicContact CD1-CD2 3.77Å; I611-L624 HydrophobicContact CD1-CG 4.26Å; I611-V636 HydrophobicContact CB-CG1 4.11Å; I611-V636 HydrophobicContact CD1-CG1 3.83Å; I611-V636 HydrophobicContact CG1-CG1 3.87Å; I611-I637 PolarHBondContact N-O 2.95Å; I611-C638 WeakPolarHBondContact O-CA 3.23Å; I611-C638 WeakPolarHBondContact O-CB 3.3Å
612M98.3Very high97.5Very high3 Ų347.5 Ų47.52%0.01524%0.237CC..  trans-109.7159.8-178.9-62.5-59.7155.700111.8H566 I610 D614 Y617 I637 V655 Q663H566-M612 VanDerWaalsContact CE1-CG 3.47Å; H566-M612 WeakPolarHBondContact CE1-CG 3.36Å; H566-M612 VanDerWaalsContact NE2-CB 3.35Å; H566-M612 WeakPolarHBondContact NE2-CB 3.22Å; H566-M612 WeakPolarHBondContact NE2-CG 3.44Å; I610-M612 HydrophobicContact CG2-CE 3.75Å; I610-M612 HydrophobicContact CG2-CG 4.18Å; M612-D614 PolarHBondContact O-N 3.09Å; M612-Y617 WeakPolarHBondContact O-CD2 3.46Å; M612-I637 HydrophobicContact CE-CB 4.23Å; M612-I637 HydrophobicContact CE-CG2 3.68Å; M612-I637 VanDerWaalsContact CE-O 3.26Å; M612-I637 WeakPolarHBondContact CE-O 3.28Å; M612-V655 HydrophobicContact CE-CG2 3.53Å; M612-V655 HydrophobicContact SD-CG2 3.8Å; M612-Q663 HydrophobicContact CB-CG 4.06Å; M612-Q663 HydrophobicContact CG-CG 3.73Å; M612-Q663 HydrophobicContact SD-CG 3.99Å
613R97.2Very high97.6Very high110 Ų11044.4 Ų44.442%0.41522%0.221SC..SBendtrans-7968.7179.3-72.5-73.2177.5165.6-5.2111.4Y617 D639 D642R613-Y617 PolarHBondContact NH2-OH 3.34Å; R613-D639 HydrophobicContact CG-CB 3.94Å; R613-D639 VanDerWaalsContact CG-OD2 3.29Å; R613-D639 WeakPolarHBondContact CG-OD2 3.38Å; R613-D642 IonicContact CZ-OD1 3.6Å; R613-D642 IonicContact NE-OD1 3.69Å; R613-D642 IonicContact NH2-OD1 3.41Å; R613-D642 PolarHBondContact NH2-OD1 2.85Å
614D96.9Very high97.7Very high21 Ų2138 Ų3811%0.11219%0.194CC..SBendtrans-122.2-174.4172.268.121.9000111.6H566 M612 T616 Y617 D660H566-D614 IonicContact CD2-OD2 3.68Å; M612-D614 PolarHBondContact O-N 3.09Å; D614-T616 PolarHBondContact O-N 3.23Å; D614-T616 VanDerWaalsContact OD1-CA 3.26Å; D614-T616 WeakPolarHBondContact OD1-CA 3.44Å; D614-T616 VanDerWaalsContact OD1-CB 3.32Å; D614-T616 WeakPolarHBondContact OD1-CB 3.24Å; D614-T616 PolarHBondContact OD1-N 2.95Å; D614-T616 PolarHBondContact OD1-OG1 3.26Å; D614-Y617 WeakPolarHBondContact O-CB 3.42Å; D614-Y617 PolarHBondContact O-N 3.24Å; D614-Y617 PolarHBondContact OD1-N 2.92Å; D614-D660 HydrophobicContact CB-CB 4.04Å
615H97.4Very high97.8Very high116 Ų11637.2 Ų37.254%0.53719%0.187SC..THydrogen-bonded Turntrans-60.8-13.617865.390.1000114.2Q404Q404-H615 PolarHBondContact NE2-NE2 2.98Å
616T97.8Very high97.7Very high6 Ų636.9 Ų36.94%0.03718%0.184CC..THydrogen-bonded Turntrans-96.9-2.9177.276.10000114.2D614 A618 K619 C620D614-T616 PolarHBondContact O-N 3.23Å; D614-T616 VanDerWaalsContact OD1-CA 3.26Å; D614-T616 WeakPolarHBondContact OD1-CA 3.44Å; D614-T616 VanDerWaalsContact OD1-CB 3.32Å; D614-T616 WeakPolarHBondContact OD1-CB 3.24Å; D614-T616 PolarHBondContact OD1-N 2.95Å; D614-T616 PolarHBondContact OD1-OG1 3.26Å; T616-A618 PolarHBondContact O-N 3.15Å; T616-K619 WeakPolarHBondContact O-CA 3.3Å; T616-K619 WeakPolarHBondContact O-CB 3.33Å; T616-K619 PolarHBondContact O-N 2.74Å; T616-C620 PolarHBondContact O-N 2.92Å
617Y98Very high97.7Very high36 Ų3636 Ų3614%0.14118%0.178CC..Hα-helixtrans-44.9-54.6-176.9179.1-95.3000113.7I611 M612 R613 D614 K619 C620 Q621 D642 E644I611-Y617 HydrophobicContact CG2-CD2 4.07Å; I611-Y617 HydrophobicContact CG2-CE2 4.01Å; M612-Y617 WeakPolarHBondContact O-CD2 3.46Å; R613-Y617 PolarHBondContact NH2-OH 3.34Å; D614-Y617 WeakPolarHBondContact O-CB 3.42Å; D614-Y617 PolarHBondContact O-N 3.24Å; D614-Y617 PolarHBondContact OD1-N 2.92Å; Y617-K619 VanDerWaalsContact C-N 3.25Å; Y617-K619 PolarHBondContact O-N 3.44Å; Y617-C620 WeakPolarHBondContact O-CB 3.42Å; Y617-C620 PolarHBondContact O-N 3.19Å; Y617-C620 VanDerWaalsContact O-N 3.11Å; Y617-Q621 HydrophobicContact CD1-CG 4.18Å; Y617-Q621 HydrophobicContact CE1-CG 3.7Å; Y617-Q621 HydrophobicContact CE2-CG 4.38Å; Y617-Q621 VanDerWaalsContact CZ-NE2 3.32Å; Y617-Q621 WeakPolarHBondContact O-CG 2.99Å; Y617-Q621 PolarHBondContact O-N 2.88Å; Y617-Q621 PolarHBondContact OH-NE2 3.17Å; Y617-D642 VanDerWaalsContact CE2-OD2 3.29Å; Y617-D642 WeakPolarHBondContact CE2-OD2 3.3Å; Y617-D642 PolarHBondContact OH-OD1 2.89Å; Y617-D642 PolarHBondContact OH-OD2 2.96Å; Y617-E644 PolarHBondContact OH-OE2 3.32Å
618A97.6Very high97.6Very high75 Ų7539.1 Ų39.162%0.6220%0.197SC*.Hα-helixtrans-62.2-32.7-17900000112.9T616 N622T616-A618 PolarHBondContact O-N 3.15Å; A618-N622 PolarHBondContact O-N 2.83Å; A618-N622 VanDerWaalsContact O-N 3.11Å
619K97.8Very high97.6Very high116 Ų11642 Ų4250%0.50422%0.222SC..Hα-helixtrans-73.7-36.7176.9-59.8178.9-177.9170.30111T616 Y617 N622 A623T616-K619 WeakPolarHBondContact O-CA 3.3Å; T616-K619 WeakPolarHBondContact O-CB 3.33Å; T616-K619 PolarHBondContact O-N 2.74Å; Y617-K619 VanDerWaalsContact C-N 3.25Å; Y617-K619 PolarHBondContact O-N 3.44Å; K619-N622 WeakPolarHBondContact O-CB 3.47Å; K619-N622 PolarHBondContact O-N 2.67Å; K619-A623 PolarHBondContact O-N 3.48Å; K619-A623 VanDerWaalsContact O-N 3.12Å
620C97.4Very high97.5Very high5 Ų548.5 Ų48.53%0.03425%0.246CC..Hα-helixtrans-65.7-42.2173-67.10000111.8R563 I611 T616 Y617 N622 A623 L624R563-C620 VanDerWaalsContact CD-SG 3.55Å; R563-C620 WeakPolarHBondContact CG-SG 3.09Å; I611-C620 HydrophobicContact CB-CB 4.34Å; I611-C620 HydrophobicContact CG1-CB 4.11Å; I611-C620 HydrophobicContact CG2-CB 3.87Å; T616-C620 PolarHBondContact O-N 2.92Å; Y617-C620 WeakPolarHBondContact O-CB 3.42Å; Y617-C620 PolarHBondContact O-N 3.19Å; Y617-C620 VanDerWaalsContact O-N 3.11Å; C620-N622 VanDerWaalsContact C-N 3.3Å; C620-N622 PolarHBondContact O-N 2.71Å; C620-A623 WeakPolarHBondContact O-CB 3.21Å; C620-A623 PolarHBondContact O-N 3.29Å; C620-A623 VanDerWaalsContact O-N 3.11Å; C620-L624 PolarHBondContact O-N 2.78Å
621Q97.6Very high97.4Very high20 Ų2054.5 Ų54.59%0.09327%0.274CS..Hα-helixtrans-58.3-42.6172.6-72.8-61.8-12.300112Y617 A623 L624 Q625 E644 T645Y617-Q621 HydrophobicContact CD1-CG 4.18Å; Y617-Q621 HydrophobicContact CE1-CG 3.7Å; Y617-Q621 HydrophobicContact CE2-CG 4.38Å; Y617-Q621 VanDerWaalsContact CZ-NE2 3.32Å; Y617-Q621 WeakPolarHBondContact O-CG 2.99Å; Y617-Q621 PolarHBondContact O-N 2.88Å; Y617-Q621 PolarHBondContact OH-NE2 3.17Å; Q621-A623 VanDerWaalsContact C-N 3.32Å; Q621-A623 PolarHBondContact O-N 3.19Å; Q621-L624 WeakPolarHBondContact O-CB 3.3Å; Q621-L624 PolarHBondContact O-N 2.75Å; Q621-L624 VanDerWaalsContact O-N 3.17Å; Q621-Q625 WeakPolarHBondContact O-CG 3.44Å; Q621-Q625 PolarHBondContact O-N 2.92Å; Q621-E644 PolarHBondContact NE2-OE2 3.47Å; Q621-T645 PolarHBondContact NE2-OG1 2.97Å
622N97.2Very high97.2Very high88 Ų8854.7 Ų54.747%0.47128%0.276SS..Hα-helixtrans-60.6-42175.1-166-34.4000111.8A618 K619 C620 L624 Q625 Q626A618-N622 PolarHBondContact O-N 2.83Å; A618-N622 VanDerWaalsContact O-N 3.11Å; K619-N622 WeakPolarHBondContact O-CB 3.47Å; K619-N622 PolarHBondContact O-N 2.67Å; C620-N622 VanDerWaalsContact C-N 3.3Å; C620-N622 PolarHBondContact O-N 2.71Å; N622-L624 PolarHBondContact O-N 2.91Å; N622-Q625 PolarHBondContact O-N 2.89Å; N622-Q626 VanDerWaalsContact O-CG 3.25Å; N622-Q626 WeakPolarHBondContact O-CG 3.36Å; N622-Q626 PolarHBondContact O-N 3.07Å; N622-Q626 PolarHBondContact OD1-NE2 3.23Å
623A97.5Very high97.1Very high3 Ų363.9 Ų63.93%0.02531%0.311CS..Hα-helixtrans-62.1-41.4174.300000112.1A590 L593 M609 K619 C620 Q621 Q625 Q626 V627A590-A623 HydrophobicContact CB-CB 4.1Å; L593-A623 HydrophobicContact CD1-CB 3.96Å; M609-A623 HydrophobicContact CE-CB 3.87Å; K619-A623 PolarHBondContact O-N 3.48Å; K619-A623 VanDerWaalsContact O-N 3.12Å; C620-A623 WeakPolarHBondContact O-CB 3.21Å; C620-A623 PolarHBondContact O-N 3.29Å; C620-A623 VanDerWaalsContact O-N 3.11Å; Q621-A623 VanDerWaalsContact C-N 3.32Å; Q621-A623 PolarHBondContact O-N 3.19Å; A623-Q625 PolarHBondContact O-N 3.36Å; A623-Q626 WeakPolarHBondContact O-CB 3.41Å; A623-Q626 PolarHBondContact O-N 2.87Å; A623-Q626 VanDerWaalsContact O-N 3.17Å; A623-V627 PolarHBondContact O-N 3.22Å; A623-V627 VanDerWaalsContact O-N 3.09Å
624L97.7Very high97.1Very high6 Ų659.1 Ų59.13%0.03129%0.294CS..Hα-helixtrans-58.7-47.4175.4176.761.2000111.3M609 I611 C620 Q621 N622 Q626 V627 V628 P634 V636M609-L624 HydrophobicContact CE-CB 4.31Å; M609-L624 HydrophobicContact SD-CB 4.2Å; M609-L624 HydrophobicContact SD-CD1 3.73Å; I611-L624 HydrophobicContact CD1-CB 3.83Å; I611-L624 HydrophobicContact CD1-CD2 3.77Å; I611-L624 HydrophobicContact CD1-CG 4.26Å; C620-L624 PolarHBondContact O-N 2.78Å; Q621-L624 WeakPolarHBondContact O-CB 3.3Å; Q621-L624 PolarHBondContact O-N 2.75Å; Q621-L624 VanDerWaalsContact O-N 3.17Å; N622-L624 PolarHBondContact O-N 2.91Å; L624-Q626 VanDerWaalsContact C-N 3.26Å; L624-Q626 PolarHBondContact O-N 3.32Å; L624-V627 PolarHBondContact O-N 3.48Å; L624-V628 HydrophobicContact CD1-CG2 4.06Å; L624-V628 HydrophobicContact CG-CG2 4.4Å; L624-V628 WeakPolarHBondContact O-CG2 3.16Å; L624-V628 PolarHBondContact O-N 2.87Å; L624-P634 HydrophobicContact CD1-CB 4.48Å; L624-P634 HydrophobicContact CD1-CG 3.42Å; L624-P634 VanDerWaalsContact CD1-CG 3.42Å; L624-V636 HydrophobicContact CD1-CG2 4.04Å
625Q96.8Very high97.2Very high104 Ų10458.7 Ų58.749%0.48629%0.292SS..Hα-helixtrans-60.4-36.4177.2-65-56.7-37.300112.2Q621 N622 A623 A629Q621-Q625 WeakPolarHBondContact O-CG 3.44Å; Q621-Q625 PolarHBondContact O-N 2.92Å; N622-Q625 PolarHBondContact O-N 2.89Å; A623-Q625 PolarHBondContact O-N 3.36Å; Q625-A629 WeakPolarHBondContact O-CB 3.22Å; Q625-A629 PolarHBondContact O-N 3.46Å
626Q96.3Very high97.2Very high32 Ų3253.2 Ų53.215%0.1527%0.267CS..Hα-helixtrans-65.1-42.4176.3-67.5164.630.600112.3K594 L598 N622 A623 L624 R630K594-Q626 VanDerWaalsContact CE-NE2 3.27Å; L598-Q626 HydrophobicContact CD2-CB 4.34Å; N622-Q626 VanDerWaalsContact O-CG 3.25Å; N622-Q626 WeakPolarHBondContact O-CG 3.36Å; N622-Q626 PolarHBondContact O-N 3.07Å; N622-Q626 PolarHBondContact OD1-NE2 3.23Å; A623-Q626 WeakPolarHBondContact O-CB 3.41Å; A623-Q626 PolarHBondContact O-N 2.87Å; A623-Q626 VanDerWaalsContact O-N 3.17Å; L624-Q626 VanDerWaalsContact C-N 3.26Å; L624-Q626 PolarHBondContact O-N 3.32Å; Q626-R630 WeakPolarHBondContact O-CG 3.23Å; Q626-R630 PolarHBondContact O-N 2.97Å
627V97.4Very high97.3Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-65.6-47.1176.8170.80000110.5M561 L593 L598 V601 V607 M609 A623 L624 A629 R630 G632 P634M561-V627 HydrophobicContact CE-CG2 4.47Å; M561-V627 HydrophobicContact SD-CG2 3.89Å; L593-V627 HydrophobicContact CD1-CG2 4.31Å; L598-V627 HydrophobicContact CD1-CG2 4.41Å; V601-V627 HydrophobicContact CG1-CB 4.48Å; V601-V627 HydrophobicContact CG1-CG1 3.87Å; V607-V627 HydrophobicContact CG1-CG1 4.41Å; V607-V627 HydrophobicContact CG2-CG1 4.48Å; M609-V627 HydrophobicContact CE-CG2 4.34Å; M609-V627 HydrophobicContact SD-CB 4.16Å; M609-V627 HydrophobicContact SD-CG1 4.42Å; M609-V627 HydrophobicContact SD-CG2 3.92Å; A623-V627 PolarHBondContact O-N 3.22Å; A623-V627 VanDerWaalsContact O-N 3.09Å; L624-V627 PolarHBondContact O-N 3.48Å; V627-A629 VanDerWaalsContact C-N 3.34Å; V627-A629 PolarHBondContact O-N 2.89Å; V627-R630 CarbonylContact O-C 3.58Å; V627-R630 PolarHBondContact O-N 3.43Å; V627-G632 PolarHBondContact O-N 2.84Å; V627-G632 VanDerWaalsContact O-N 3.08Å; V627-P634 HydrophobicContact CG1-CB 4.41Å; V627-P634 HydrophobicContact CG1-CG 4.09Å
628V97.1Very high97.3Very high70 Ų7051.3 Ų51.342%0.42426%0.259SS..Hα-helixtrans-63.2-39.4179173.10000111.5L624 R630 Q631L624-V628 HydrophobicContact CD1-CG2 4.06Å; L624-V628 HydrophobicContact CG-CG2 4.4Å; L624-V628 WeakPolarHBondContact O-CG2 3.16Å; L624-V628 PolarHBondContact O-N 2.87Å; V628-R630 PolarHBondContact O-N 3.42Å; V628-R630 VanDerWaalsContact O-N 3.07Å; V628-Q631 PolarHBondContact O-N 3.32Å
629A96.8Very high97.3Very high64 Ų6448 Ų4853%0.52923%0.23SC..THydrogen-bonded Turntrans-65-9.1175.100000114Q625 V627Q625-A629 WeakPolarHBondContact O-CB 3.22Å; Q625-A629 PolarHBondContact O-N 3.46Å; V627-A629 VanDerWaalsContact C-N 3.34Å; V627-A629 PolarHBondContact O-N 2.89Å
630R97.1Very high97.3Very high140 Ų14047.7 Ų47.753%0.52823%0.229SC..THydrogen-bonded Turntrans-109.721.5172.2-60.1-62.9175.3-98.91.9112.4L598 V601 Q626 V627 V628 G632L598-R630 HydrophobicContact CD1-CG 4.3Å; L598-R630 HydrophobicContact CG-CG 4.35Å; V601-R630 HydrophobicContact CB-CB 4.46Å; V601-R630 HydrophobicContact CG1-CB 4.06Å; Q626-R630 WeakPolarHBondContact O-CG 3.23Å; Q626-R630 PolarHBondContact O-N 2.97Å; V627-R630 CarbonylContact O-C 3.58Å; V627-R630 PolarHBondContact O-N 3.43Å; V628-R630 PolarHBondContact O-N 3.42Å; V628-R630 VanDerWaalsContact O-N 3.07Å; R630-G632 PolarHBondContact O-N 2.95Å
631Q96.4Very high97.2Very high129 Ų12954.8 Ų54.860%0.60326%0.262SS*.THydrogen-bonded Turntrans66.38.1-179.9-49.5-179-29.900114.6K603 V628K603-Q631 WeakPolarHBondContact CA-O 3.41Å; K603-Q631 HydrophobicContact CB-CB 4.2Å; V628-Q631 PolarHBondContact O-N 3.32Å
632G95.9Very high97.2Very high4 Ų453.8 Ų53.84%0.04126%0.257CS..  trans-60.2139.417100000110.4D602 V627 R630 P634D602-G632 WeakPolarHBondContact O-CA 3.1Å; V627-G632 PolarHBondContact O-N 2.84Å; V627-G632 VanDerWaalsContact O-N 3.08Å; R630-G632 PolarHBondContact O-N 2.95Å; G632-P634 VanDerWaalsContact C-CD 3.43Å; G632-P634 VanDerWaalsContact O-CD 3.27Å; G632-P634 WeakPolarHBondContact O-CD 3.46Å
633R95.6Very high97.1Very high197 Ų19753.3 Ų53.374%0.74326%0.257SS*.  trans-117.772.7178.9-63.9-174.5-179.8-154.8-2.5109.3
634P97.1Very high96.9Very high10 Ų1056.7 Ų56.77%0.06527%0.273CS..  trans-70147.7-171.428.4-33.4000111.5V607 M609 L624 V627 G632 V636V607-P634 HydrophobicContact CB-CB 4.05Å; V607-P634 HydrophobicContact CG1-CB 4.04Å; V607-P634 CarbonylContact O-C 3.56Å; V607-P634 WeakPolarHBondContact O-CA 3.01Å; M609-P634 HydrophobicContact CG-CB 3.83Å; M609-P634 HydrophobicContact CG-CG 4.5Å; M609-P634 HydrophobicContact SD-CB 4.07Å; M609-P634 HydrophobicContact SD-CG 4.13Å; L624-P634 HydrophobicContact CD1-CB 4.48Å; L624-P634 HydrophobicContact CD1-CG 3.42Å; L624-P634 VanDerWaalsContact CD1-CG 3.42Å; V627-P634 HydrophobicContact CG1-CB 4.41Å; V627-P634 HydrophobicContact CG1-CG 4.09Å; G632-P634 VanDerWaalsContact C-CD 3.43Å; G632-P634 VanDerWaalsContact O-CD 3.27Å; G632-P634 WeakPolarHBondContact O-CD 3.46Å; P634-V636 HydrophobicContact CB-CG2 4.47Å; P634-V636 HydrophobicContact CG-CG2 4.41Å
635V98.4Very high96.8Very high12 Ų1256.4 Ų56.47%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-82.6131.2158.9176.40000107L548 V607 I608 M609 R651 I653L548-V635 HydrophobicContact CD1-CB 4.4Å; L548-V635 HydrophobicContact CD1-CG1 4.15Å; L548-V635 HydrophobicContact CD1-CG2 3.57Å; L548-V635 HydrophobicContact CD2-CG1 3.87Å; V607-V635 PolarHBondContact O-N 3.03Å; I608-V635 CarbonylContact C-O 3.54Å; I608-V635 VanDerWaalsContact CA-O 3.28Å; I608-V635 WeakPolarHBondContact CA-O 3.04Å; I608-V635 HydrophobicContact CG1-CB 4.39Å; M609-V635 PolarHBondContact N-O 3.03Å; V635-R651 WeakPolarHBondContact CA-O 3.36Å; V635-R651 HydrophobicContact CG1-CG 4.22Å; V635-R651 HydrophobicContact CG2-CB 4.32Å; V635-R651 HydrophobicContact CG2-CG 4.28Å; V635-I653 HydrophobicContact CG1-CG1 4.43Å
636V98.7Very high96.8Very high0 Ų053.3 Ų53.30%026%0.258CS..EExtended strand (participates in β ladder)trans-113.2121.2-177-176.30000110.6M609 I611 L624 P634 C638 T645 T649 R651 T652 I653M609-V636 HydrophobicContact CB-CG2 4.39Å; M609-V636 CarbonylContact O-C 3.43Å; M609-V636 WeakPolarHBondContact O-CA 2.92Å; I611-V636 HydrophobicContact CB-CG1 4.11Å; I611-V636 HydrophobicContact CD1-CG1 3.83Å; I611-V636 HydrophobicContact CG1-CG1 3.87Å; L624-V636 HydrophobicContact CD1-CG2 4.04Å; P634-V636 HydrophobicContact CB-CG2 4.47Å; P634-V636 HydrophobicContact CG-CG2 4.41Å; V636-C638 HydrophobicContact CG1-CB 4.06Å; V636-T645 HydrophobicContact CB-CG2 4.22Å; V636-T645 HydrophobicContact CG1-CG2 3.65Å; V636-T649 HydrophobicContact CB-CG2 4.05Å; V636-T649 HydrophobicContact CG2-CG2 3.56Å; V636-R651 PolarHBondContact N-O 2.95Å; V636-R651 VanDerWaalsContact N-O 3.07Å; V636-T652 HydrophobicContact CB-CG2 4.47Å; V636-T652 CarbonylContact O-C 3.59Å; V636-T652 WeakPolarHBondContact O-CA 3.31Å; V636-I653 PolarHBondContact O-N 2.61Å
637I98.8Very high96.7Very high3 Ų359.6 Ų59.62%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-85.6114.3165.5-48.8-179.2000106.3I608 M609 I610 I611 M612 I653 V655 P670 L671I608-I637 HydrophobicContact CG2-CD1 4.07Å; I608-I637 HydrophobicContact CG2-CG1 4.09Å; M609-I637 PolarHBondContact O-N 3.02Å; I610-I637 WeakPolarHBondContact CA-O 3.21Å; I611-I637 PolarHBondContact N-O 2.95Å; M612-I637 HydrophobicContact CE-CB 4.23Å; M612-I637 HydrophobicContact CE-CG2 3.68Å; M612-I637 VanDerWaalsContact CE-O 3.26Å; M612-I637 WeakPolarHBondContact CE-O 3.28Å; I637-I653 WeakPolarHBondContact CA-O 3.32Å; I637-I653 HydrophobicContact CG1-CB 4.24Å; I637-I653 HydrophobicContact CG2-CB 4.36Å; I637-I653 HydrophobicContact CG2-CG2 4.46Å; I637-V655 HydrophobicContact CG2-CG1 4Å; I637-V655 HydrophobicContact CG2-CG2 4.36Å; I637-P670 HydrophobicContact CD1-CB 4.25Å; I637-L671 HydrophobicContact CD1-CD1 4.49Å; I637-L671 HydrophobicContact CD1-CD2 3.77Å; I637-L671 HydrophobicContact CD1-CG 3.99Å
638C98.6Very high96.4Very high0 Ų065 Ų650%031%0.314CS..EExtended strand (participates in β ladder)trans-138.4169.8-176.665.50000112.3I611 V636 T645 I653 K654 V655I611-C638 WeakPolarHBondContact O-CA 3.23Å; I611-C638 WeakPolarHBondContact O-CB 3.3Å; V636-C638 HydrophobicContact CG1-CB 4.06Å; C638-T645 HydrophobicContact CB-CG2 4.09Å; C638-I653 PolarHBondContact N-O 2.94Å; C638-K654 CarbonylContact O-C 3.24Å; C638-K654 WeakPolarHBondContact O-CA 3.4Å; C638-V655 WeakPolarHBondContact O-CG2 3.36Å; C638-V655 PolarHBondContact O-N 3.42Å
639D98.2Very high96.3Very high4 Ų462.6 Ų62.62%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-60.9139.7170.3-174.1-7.8000110.8R613 E641 D642 V655 H657R613-D639 HydrophobicContact CG-CB 3.94Å; R613-D639 VanDerWaalsContact CG-OD2 3.29Å; R613-D639 WeakPolarHBondContact CG-OD2 3.38Å; D639-E641 PolarHBondContact O-N 2.75Å; D639-E641 PolarHBondContact OD1-N 3.37Å; D639-E641 VanDerWaalsContact OD1-N 3.09Å; D639-D642 HydrophobicContact CB-CB 4.18Å; D639-D642 WeakPolarHBondContact O-CB 3.5Å; D639-D642 PolarHBondContact O-N 3.28Å; D639-D642 VanDerWaalsContact O-N 3.08Å; D639-V655 CarbonylContact C-O 3.59Å; D639-V655 WeakPolarHBondContact CA-O 3.17Å; D639-H657 IonicContact OD2-CD2 3.78Å; D639-H657 PolarHBondContact OD2-CD2 3.06Å; D639-H657 VanDerWaalsContact OD2-CD2 3.24Å; D639-H657 IonicContact OD2-CG 2.69Å
640K96.4Very high96Very high111 Ų11169.4 Ų69.448%0.48332%0.316SS..THydrogen-bonded Turntrans-56.9-30.9175.1-171.3179.5-176.7179.80113E537 I646 K654 V655E537-K640 IonicContact OE1-NZ 3.88Å; E537-K640 PolarHBondContact OE1-NZ 3.4Å; K640-I646 WeakPolarHBondContact O-CD1 3.19Å; K640-K654 HydrophobicContact CB-CB 4.39Å; K640-K654 HydrophobicContact CG-CB 4.48Å; K640-V655 PolarHBondContact N-O 3.49Å
641E95.8Very high96Very high153 Ų15365.5 Ų65.572%0.71530%0.302SS*.THydrogen-bonded Turntrans-87.4-5.1179.6-63-176.7-171.200113.2D639 T643D639-E641 PolarHBondContact O-N 2.75Å; D639-E641 PolarHBondContact OD1-N 3.37Å; D639-E641 VanDerWaalsContact OD1-N 3.09Å; E641-T643 VanDerWaalsContact C-N 3.27Å; E641-T643 PolarHBondContact O-N 2.69Å; E641-T643 PolarHBondContact O-OG1 2.83Å
642D96.6Very high96Very high0 Ų060.5 Ų60.50%028%0.28CS..  trans-77.174.8-177.7-171.110.8000113.4R613 Y617 D639 E644 T645 I646R613-D642 IonicContact CZ-OD1 3.6Å; R613-D642 IonicContact NE-OD1 3.69Å; R613-D642 IonicContact NH2-OD1 3.41Å; R613-D642 PolarHBondContact NH2-OD1 2.85Å; Y617-D642 VanDerWaalsContact CE2-OD2 3.29Å; Y617-D642 WeakPolarHBondContact CE2-OD2 3.3Å; Y617-D642 PolarHBondContact OH-OD1 2.89Å; Y617-D642 PolarHBondContact OH-OD2 2.96Å; D639-D642 HydrophobicContact CB-CB 4.18Å; D639-D642 WeakPolarHBondContact O-CB 3.5Å; D639-D642 PolarHBondContact O-N 3.28Å; D639-D642 VanDerWaalsContact O-N 3.08Å; D642-E644 PolarHBondContact O-N 3.48Å; D642-T645 VanDerWaalsContact CG-OG1 3.26Å; D642-T645 PolarHBondContact O-N 3.26Å; D642-T645 WeakPolarHBondContact OD2-CB 3.34Å; D642-T645 PolarHBondContact OD2-OG1 2.71Å; D642-I646 WeakPolarHBondContact O-CB 3.41Å; D642-I646 WeakPolarHBondContact O-CD1 3.39Å; D642-I646 WeakPolarHBondContact O-CG1 3.42Å; D642-I646 PolarHBondContact O-N 3.35Å
643T95.6Very high96.1Very high77 Ų7760.6 Ų60.647%0.47228%0.28SS..Hα-helixtrans-61.2-29.3-174.6-56.90000113.1E641 K647E641-T643 VanDerWaalsContact C-N 3.27Å; E641-T643 PolarHBondContact O-N 2.69Å; E641-T643 PolarHBondContact O-OG1 2.83Å; T643-K647 HydrophobicContact CG2-CD 3.96Å; T643-K647 VanDerWaalsContact CG2-CE 3.44Å; T643-K647 HydrophobicContact CG2-CG 4.45Å; T643-K647 WeakPolarHBondContact O-CB 3.35Å; T643-K647 VanDerWaalsContact O-CG 3.23Å; T643-K647 WeakPolarHBondContact O-CG 3.37Å; T643-K647 PolarHBondContact O-N 2.82Å; T643-K647 VanDerWaalsContact O-N 3.17Å
644E93.7Very high96.3Very high74 Ų7455.5 Ų55.535%0.34626%0.263SS..Hα-helixtrans-71.8-53.1-178.6-173.5-86.2138.500110.8Y617 Q621 D642 I646 K647 N648Y617-E644 PolarHBondContact OH-OE2 3.32Å; Q621-E644 PolarHBondContact NE2-OE2 3.47Å; D642-E644 PolarHBondContact O-N 3.48Å; E644-I646 VanDerWaalsContact C-N 3.32Å; E644-I646 PolarHBondContact O-N 3.47Å; E644-K647 PolarHBondContact O-N 3.46Å; E644-N648 WeakPolarHBondContact O-CB 3.37Å; E644-N648 PolarHBondContact O-N 3.05Å; E644-N648 VanDerWaalsContact O-N 3.12Å; E644-N648 PolarHBondContact O-ND2 3.1Å; E644-N648 PolarHBondContact OE1-ND2 2.79Å
645T95.4Very high96.3Very high0 Ų055 Ų550%026%0.26CS..Hα-helixtrans-59.5-42.5175.2-59.40000112.4Q621 V636 C638 D642 K647 N648 T649Q621-T645 PolarHBondContact NE2-OG1 2.97Å; V636-T645 HydrophobicContact CB-CG2 4.22Å; V636-T645 HydrophobicContact CG1-CG2 3.65Å; C638-T645 HydrophobicContact CB-CG2 4.09Å; D642-T645 VanDerWaalsContact CG-OG1 3.26Å; D642-T645 PolarHBondContact O-N 3.26Å; D642-T645 WeakPolarHBondContact OD2-CB 3.34Å; D642-T645 PolarHBondContact OD2-OG1 2.71Å; T645-K647 VanDerWaalsContact C-N 3.32Å; T645-K647 PolarHBondContact O-N 2.79Å; T645-N648 PolarHBondContact O-N 3.19Å; T645-T649 VanDerWaalsContact O-CB 3.24Å; T645-T649 WeakPolarHBondContact O-CB 3.19Å; T645-T649 PolarHBondContact O-N 2.81Å; T645-T649 PolarHBondContact O-OG1 3.04Å
646I96.1Very high96.3Very high39 Ų3954.8 Ų54.820%0.226%0.259CS..Hα-helixtrans-63.6-37.5-178.4-67.8165.9000111.5K640 D642 E644 K654K640-I646 WeakPolarHBondContact O-CD1 3.19Å; D642-I646 WeakPolarHBondContact O-CB 3.41Å; D642-I646 WeakPolarHBondContact O-CD1 3.39Å; D642-I646 WeakPolarHBondContact O-CG1 3.42Å; D642-I646 PolarHBondContact O-N 3.35Å; E644-I646 VanDerWaalsContact C-N 3.32Å; E644-I646 PolarHBondContact O-N 3.47Å; I646-K654 HydrophobicContact CD1-CD 4.07Å; I646-K654 HydrophobicContact CD1-CG 4.13Å; I646-K654 HydrophobicContact CG1-CD 4.49Å; I646-K654 HydrophobicContact CG1-CG 4.36Å
647K94.3Very high96.3Very high164 Ų16458.8 Ų58.871%0.71328%0.277SS*.Hα-helixtrans-73.9-35.9177.9-76174.6179.6177.10112.5T643 E644 T645T643-K647 HydrophobicContact CG2-CD 3.96Å; T643-K647 VanDerWaalsContact CG2-CE 3.44Å; T643-K647 HydrophobicContact CG2-CG 4.45Å; T643-K647 WeakPolarHBondContact O-CB 3.35Å; T643-K647 VanDerWaalsContact O-CG 3.23Å; T643-K647 WeakPolarHBondContact O-CG 3.37Å; T643-K647 PolarHBondContact O-N 2.82Å; T643-K647 VanDerWaalsContact O-N 3.17Å; E644-K647 PolarHBondContact O-N 3.46Å; T645-K647 VanDerWaalsContact C-N 3.32Å; T645-K647 PolarHBondContact O-N 2.79Å
648N92.4Very high96.3Very high115 Ų11558.8 Ų58.862%0.61528%0.278SS*.Hα-helixtrans-91.1-8.4-172.1-68.4-24.8000113.9E644 T645E644-N648 WeakPolarHBondContact O-CB 3.37Å; E644-N648 PolarHBondContact O-N 3.05Å; E644-N648 VanDerWaalsContact O-N 3.12Å; E644-N648 PolarHBondContact O-ND2 3.1Å; E644-N648 PolarHBondContact OE1-ND2 2.79Å; T645-N648 PolarHBondContact O-N 3.19Å
649T94.7Very high96.3Very high19 Ų1959.2 Ų59.212%0.11728%0.28CS..  trans-116.5130.8-178.7-51.60000111.1V636 T645 R651 T652V636-T649 HydrophobicContact CB-CG2 4.05Å; V636-T649 HydrophobicContact CG2-CG2 3.56Å; T645-T649 VanDerWaalsContact O-CB 3.24Å; T645-T649 WeakPolarHBondContact O-CB 3.19Å; T645-T649 PolarHBondContact O-N 2.81Å; T645-T649 PolarHBondContact O-OG1 3.04Å; T649-R651 WeakPolarHBondContact CG2-O 3.33Å; T649-R651 PolarHBondContact O-N 2.93Å; T649-T652 HydrophobicContact CG2-CG2 3.95Å
650K90.9Very high96.3Very high206 Ų20660.8 Ų60.890%0.89629%0.289SS*.SBendtrans-62.6-43.3-178.7-175.3-177.9176.6-170.20113.3
651R95.5Very high96.4Very high58 Ų5855.5 Ų55.522%0.21927%0.266CS..EExtended strand (participates in β ladder)trans-127120-178.2-173.5164.8-81.5-82.82.4110.2E551 V635 V636 T649E551-R651 VanDerWaalsContact CD-NE 3.28Å; E551-R651 IonicContact OE1-CZ 3.54Å; E551-R651 IonicContact OE1-NE 3.78Å; E551-R651 PolarHBondContact OE1-NE 3.25Å; E551-R651 IonicContact OE1-NH2 2.85Å; E551-R651 PolarHBondContact OE1-NH2 3.06Å; E551-R651 WeakPolarHBondContact OE2-CD 3.49Å; E551-R651 IonicContact OE2-CZ 2.77Å; E551-R651 IonicContact OE2-NE 2.72Å; E551-R651 PolarHBondContact OE2-NE 2.94Å; V635-R651 WeakPolarHBondContact CA-O 3.36Å; V635-R651 HydrophobicContact CG1-CG 4.22Å; V635-R651 HydrophobicContact CG2-CB 4.32Å; V635-R651 HydrophobicContact CG2-CG 4.28Å; V636-R651 PolarHBondContact N-O 2.95Å; V636-R651 VanDerWaalsContact N-O 3.07Å; T649-R651 WeakPolarHBondContact CG2-O 3.33Å; T649-R651 PolarHBondContact O-N 2.93Å
652T97.9Very high96.5Very high25 Ų2548.2 Ų48.215%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-130.3139-179.3590000111.2V636 T649 K654V636-T652 HydrophobicContact CB-CG2 4.47Å; V636-T652 CarbonylContact O-C 3.59Å; V636-T652 WeakPolarHBondContact O-CA 3.31Å; T649-T652 HydrophobicContact CG2-CG2 3.95Å; T652-K654 VanDerWaalsContact OG1-CE 3.31Å; T652-K654 WeakPolarHBondContact OG1-CE 3.44Å
653I98.3Very high96.6Very high6 Ų648.6 Ų48.63%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-101.9119166.2-54.7-51.4000107.6I545 L548 V635 V636 I637 C638 V655 P670I545-I653 HydrophobicContact CD1-CB 4.45Å; I545-I653 HydrophobicContact CD1-CD1 3.6Å; I545-I653 HydrophobicContact CD1-CG1 3.81Å; I545-I653 HydrophobicContact CD1-CG2 3.79Å; L548-I653 HydrophobicContact CD2-CD1 4.46Å; L548-I653 HydrophobicContact CD2-CG1 4.45Å; V635-I653 HydrophobicContact CG1-CG1 4.43Å; V636-I653 PolarHBondContact O-N 2.61Å; I637-I653 WeakPolarHBondContact CA-O 3.32Å; I637-I653 HydrophobicContact CG1-CB 4.24Å; I637-I653 HydrophobicContact CG2-CB 4.36Å; I637-I653 HydrophobicContact CG2-CG2 4.46Å; C638-I653 PolarHBondContact N-O 2.94Å; I653-V655 HydrophobicContact CG2-CG1 4.41Å; I653-P670 HydrophobicContact CG2-CB 4.08Å; I653-P670 HydrophobicContact CG2-CG 4.07Å
654K98.1Very high96.8Very high89 Ų8945 Ų4539%0.38721%0.211SC..EExtended strand (participates in β ladder)trans-104.283.7-164.9-62.2172.6-169.3174.30110.4M541 C638 K640 I646 T652M541-K654 WeakPolarHBondContact CE-O 3.41Å; M541-K654 VanDerWaalsContact SD-O 3.41Å; C638-K654 CarbonylContact O-C 3.24Å; C638-K654 WeakPolarHBondContact O-CA 3.4Å; K640-K654 HydrophobicContact CB-CB 4.39Å; K640-K654 HydrophobicContact CG-CB 4.48Å; I646-K654 HydrophobicContact CD1-CD 4.07Å; I646-K654 HydrophobicContact CD1-CG 4.13Å; I646-K654 HydrophobicContact CG1-CD 4.49Å; I646-K654 HydrophobicContact CG1-CG 4.36Å; T652-K654 VanDerWaalsContact OG1-CE 3.31Å; T652-K654 WeakPolarHBondContact OG1-CE 3.44Å
655V98.4Very high97Very high0 Ų041.4 Ų41.40%020%0.195CC..EExtended strand (participates in β ladder)trans-79.3149.5-179.5-61.40000110.7V538 M612 I637 C638 D639 K640 I653 P670V538-V655 HydrophobicContact CG1-CG1 4.44Å; V538-V655 HydrophobicContact CG2-CB 4.22Å; V538-V655 HydrophobicContact CG2-CG1 4.14Å; M612-V655 HydrophobicContact CE-CG2 3.53Å; M612-V655 HydrophobicContact SD-CG2 3.8Å; I637-V655 HydrophobicContact CG2-CG1 4Å; I637-V655 HydrophobicContact CG2-CG2 4.36Å; C638-V655 WeakPolarHBondContact O-CG2 3.36Å; C638-V655 PolarHBondContact O-N 3.42Å; D639-V655 CarbonylContact C-O 3.59Å; D639-V655 WeakPolarHBondContact CA-O 3.17Å; K640-V655 PolarHBondContact N-O 3.49Å; I653-V655 HydrophobicContact CG2-CG1 4.41Å; V655-P670 HydrophobicContact CG1-CG 3.88Å
656P98.5Very high97.2Very high8 Ų841.4 Ų41.45%0.05220%0.195CC..PPolyproline II helixtrans-70.8154.9178.431.4-34.9000111.7L534 E537 V538 Q663 L666L534-P656 HydrophobicContact CB-CG 4.1Å; L534-P656 HydrophobicContact CD2-CB 3.91Å; L534-P656 HydrophobicContact CD2-CG 3.94Å; E537-P656 HydrophobicContact CB-CG 4.33Å; E537-P656 HydrophobicContact CG-CG 4.32Å; V538-P656 HydrophobicContact CG2-CG 4.18Å; P656-Q663 PolarHBondContact O-NE2 3.18Å; P656-L666 HydrophobicContact CG-CD1 4.28Å; P656-L666 WeakPolarHBondContact O-CD1 3.49Å
657H98.4Very high97.3Very high83 Ų8339.6 Ų39.638%0.38419%0.185SC..PPolyproline II helixtrans-74.2135.8177.2-175.6-74.1000112.2D639D639-H657 IonicContact OD2-CD2 3.78Å; D639-H657 PolarHBondContact OD2-CD2 3.06Å; D639-H657 VanDerWaalsContact OD2-CD2 3.24Å; D639-H657 IonicContact OD2-CG 2.69Å
658S98.3Very high97.5Very high4 Ų431.8 Ų31.83%0.02815%0.151CC..  trans-134177.6168.5-165.40000109.9Q663S658-Q663 VanDerWaalsContact CB-OE1 3.23Å
659V98.2Very high97.8Very high9 Ų926.3 Ų26.36%0.05512%0.122CC..  trans-57.8140.1170.865.20000109.9R520 E523 I524 C661 L662 Q663R520-V659 VanDerWaalsContact NH1-CG2 3.25Å; E523-V659 HydrophobicContact CG-CB 4.4Å; E523-V659 HydrophobicContact CG-CG2 3.87Å; I524-V659 HydrophobicContact CG1-CG2 4.13Å; V659-C661 VanDerWaalsContact C-N 3.32Å; V659-C661 PolarHBondContact O-N 3.04Å; V659-L662 HydrophobicContact CG1-CB 3.63Å; V659-L662 HydrophobicContact CG1-CD1 3.47Å; V659-L662 VanDerWaalsContact CG1-CD1 3.47Å; V659-L662 HydrophobicContact CG1-CG 3.45Å; V659-L662 VanDerWaalsContact CG1-CG 3.45Å; V659-L662 PolarHBondContact O-N 3.15Å; V659-Q663 PolarHBondContact O-N 3.47Å
660D98.3Very high98Very high37 Ų3725.5 Ų25.520%0.19812%0.117CC..G310 helixtrans-49.1-47.5-172.161.4-18.3000113.6R520 Y565 D614 L662 Q663R520-D660 IonicContact CZ-OD1 2.72Å; R520-D660 VanDerWaalsContact CZ-OD1 3.24Å; R520-D660 IonicContact NH1-OD1 3.42Å; R520-D660 PolarHBondContact NH1-OD1 2.95Å; R520-D660 IonicContact NH2-OD1 3.26Å; R520-D660 PolarHBondContact NH2-OD1 2.97Å; R520-D660 IonicContact NH2-OD2 2.74Å; R520-D660 PolarHBondContact NH2-OD2 3.26Å; Y565-D660 HydrophobicContact CD2-CB 4.11Å; Y565-D660 HydrophobicContact CE2-CB 3.88Å; Y565-D660 WeakPolarHBondContact CE2-OD2 3.35Å; D614-D660 HydrophobicContact CB-CB 4.04Å; D660-L662 PolarHBondContact O-N 3.24Å; D660-Q663 WeakPolarHBondContact O-CB 3.29Å; D660-Q663 PolarHBondContact O-N 2.9Å
661C98.6Very high98.4Very high0 Ų015.8 Ų15.80%08%0.075CC..G310 helixtrans-71.3-12.3-179710000114.2V405 F500 Y565 V659V405-C661 HydrophobicContact CB-CB 3.9Å; V405-C661 HydrophobicContact CG1-CB 4.44Å; V405-C661 HydrophobicContact CG2-CB 3.93Å; F500-C661 WeakPolarHBondContact CE1-O 3.39Å; F500-C661 WeakPolarHBondContact CZ-O 3.24Å; Y565-C661 HydrophobicContact CD1-CB 4.36Å; Y565-C661 HydrophobicContact CE1-CB 3.7Å; V659-C661 VanDerWaalsContact C-N 3.32Å; V659-C661 PolarHBondContact O-N 3.04Å
662L98.8Very high98.5Very high0 Ų013 Ų130%07%0.065CC..G310 helixtrans-104.5-13.1174.4-62.6-177.6000112.8V504 I524 L528 V659 D660 G664 I665V504-L662 HydrophobicContact CB-CD2 4.47Å; V504-L662 HydrophobicContact CG1-CD2 4.14Å; V504-L662 HydrophobicContact CG2-CD2 3.99Å; I524-L662 HydrophobicContact CG2-CD1 4.44Å; L528-L662 HydrophobicContact CD2-CD1 3.76Å; L528-L662 HydrophobicContact CD2-CD2 3.97Å; L528-L662 HydrophobicContact CG-CD1 3.86Å; V659-L662 HydrophobicContact CG1-CB 3.63Å; V659-L662 HydrophobicContact CG1-CD1 3.47Å; V659-L662 VanDerWaalsContact CG1-CD1 3.47Å; V659-L662 HydrophobicContact CG1-CG 3.45Å; V659-L662 VanDerWaalsContact CG1-CG 3.45Å; V659-L662 PolarHBondContact O-N 3.15Å; D660-L662 PolarHBondContact O-N 3.24Å; L662-G664 PolarHBondContact O-N 3.43Å; L662-G664 VanDerWaalsContact O-N 3.12Å; L662-I665 HydrophobicContact CD2-CD1 4.32Å; L662-I665 WeakPolarHBondContact O-CB 3.48Å; L662-I665 PolarHBondContact O-N 3.39Å
663Q98.8Very high98.6Very high7 Ų711.8 Ų11.83%0.0336%0.057CC..Hα-helixtrans-60.6-25.2-178.2-163.264.123.200112.5M612 P656 S658 V659 D660 I665 L666 S667M612-Q663 HydrophobicContact CB-CG 4.06Å; M612-Q663 HydrophobicContact CG-CG 3.73Å; M612-Q663 HydrophobicContact SD-CG 3.99Å; P656-Q663 PolarHBondContact O-NE2 3.18Å; S658-Q663 VanDerWaalsContact CB-OE1 3.23Å; V659-Q663 PolarHBondContact O-N 3.47Å; D660-Q663 WeakPolarHBondContact O-CB 3.29Å; D660-Q663 PolarHBondContact O-N 2.9Å; Q663-I665 PolarHBondContact O-N 2.89Å; Q663-L666 PolarHBondContact O-N 3.08Å; Q663-S667 WeakPolarHBondContact O-CB 3.32Å; Q663-S667 PolarHBondContact O-N 3.18Å; Q663-S667 PolarHBondContact O-OG 2.88Å
664G98.6Very high98.6Very high1 Ų111.6 Ų11.61%0.016%0.056CC..Hα-helixtrans-55.8-33.5172.800000113.7L662 S667 V668L662-G664 PolarHBondContact O-N 3.43Å; L662-G664 VanDerWaalsContact O-N 3.12Å; G664-S667 WeakPolarHBondContact CA-OG 3.34Å; G664-S667 PolarHBondContact O-OG 3.06Å; G664-V668 PolarHBondContact O-N 3.16Å
665I98.8Very high98.6Very high0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-69.3-44.2177.5-64.2173.7000110.6T497 F500 V501 L531 I535 L662 Q663 V668 I669T497-I665 HydrophobicContact CG2-CG2 3.85Å; F500-I665 HydrophobicContact CB-CD1 4.23Å; F500-I665 HydrophobicContact CB-CG1 4.25Å; F500-I665 HydrophobicContact CD1-CD1 3.96Å; F500-I665 HydrophobicContact CD1-CG1 4.14Å; F500-I665 HydrophobicContact CD2-CD1 4.36Å; F500-I665 HydrophobicContact CD2-CG1 3.68Å; F500-I665 HydrophobicContact CE1-CD1 4.47Å; F500-I665 HydrophobicContact CE1-CG1 4.46Å; F500-I665 HydrophobicContact CE2-CG1 3.99Å; F500-I665 HydrophobicContact CG-CD1 3.94Å; F500-I665 HydrophobicContact CG-CG1 3.78Å; F500-I665 HydrophobicContact CZ-CG1 4.41Å; V501-I665 HydrophobicContact CG2-CD1 3.7Å; L531-I665 HydrophobicContact CD1-CB 4.38Å; L531-I665 HydrophobicContact CD1-CG2 4.13Å; L531-I665 HydrophobicContact CD2-CD1 3.7Å; L531-I665 HydrophobicContact CD2-CG2 4.43Å; I535-I665 HydrophobicContact CD1-CG2 4.08Å; I535-I665 HydrophobicContact CG1-CG2 4.41Å; L662-I665 HydrophobicContact CD2-CD1 4.32Å; L662-I665 WeakPolarHBondContact O-CB 3.48Å; L662-I665 PolarHBondContact O-N 3.39Å; Q663-I665 PolarHBondContact O-N 2.89Å; I665-V668 WeakPolarHBondContact O-CG1 3.43Å; I665-I669 WeakPolarHBondContact O-CD1 3.27Å; I665-I669 WeakPolarHBondContact O-CG1 3.34Å
666L98.8Very high98.6Very high0 Ų07.8 Ų7.80%04%0.04CC..Hα-helixtrans-71.6-35.2-179-60.4-179.9000112.3L531 L534 I535 V538 P656 Q663 P670L531-L666 HydrophobicContact CD1-CD2 3.92Å; L531-L666 HydrophobicContact CD1-CG 4.22Å; L534-L666 HydrophobicContact CB-CD1 4.01Å; L534-L666 HydrophobicContact CB-CD2 3.82Å; L534-L666 HydrophobicContact CD1-CD1 4.11Å; I535-L666 HydrophobicContact CG1-CD2 3.85Å; V538-L666 HydrophobicContact CG2-CB 4.31Å; V538-L666 HydrophobicContact CG2-CD2 4.18Å; P656-L666 HydrophobicContact CG-CD1 4.28Å; P656-L666 WeakPolarHBondContact O-CD1 3.49Å; Q663-L666 PolarHBondContact O-N 3.08Å; L666-P670 WeakPolarHBondContact O-CD 3.31Å
667S98.6Very high98.6Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-78.9-19-177.355.50000114.4H566 T569 Q663 G664H566-S667 PolarHBondContact CE1-OG 3.33Å; H566-S667 PolarHBondContact ND1-OG 3Å; T569-S667 PolarHBondContact OG1-OG 3.26Å; Q663-S667 WeakPolarHBondContact O-CB 3.32Å; Q663-S667 PolarHBondContact O-N 3.18Å; Q663-S667 PolarHBondContact O-OG 2.88Å; G664-S667 WeakPolarHBondContact CA-OG 3.34Å; G664-S667 PolarHBondContact O-OG 3.06Å
668V98.8Very high98.6Very high0 Ų04.1 Ų4.10%02%0.022CC..Hα-helixtrans-82.4-31.4177.178.40000112.9Y496 T497 T569 E572 G664 I665 L671 Q672Y496-V668 HydrophobicContact CD1-CG1 4.16Å; Y496-V668 HydrophobicContact CE1-CB 4.32Å; Y496-V668 HydrophobicContact CE1-CG1 3.8Å; Y496-V668 HydrophobicContact CE1-CG2 4.27Å; T497-V668 HydrophobicContact CG2-CG1 4.36Å; T569-V668 HydrophobicContact CG2-CB 3.91Å; T569-V668 HydrophobicContact CG2-CG2 4.25Å; E572-V668 HydrophobicContact CB-CG2 4.19Å; E572-V668 HydrophobicContact CG-CG2 3.74Å; G664-V668 PolarHBondContact O-N 3.16Å; I665-V668 WeakPolarHBondContact O-CG1 3.43Å; V668-L671 WeakPolarHBondContact O-CA 3.39Å; V668-L671 WeakPolarHBondContact O-CB 2.91Å; V668-L671 PolarHBondContact O-N 3.48Å; V668-Q672 PolarHBondContact O-N 2.81Å
669I98.8Very high98.6Very high0 Ų03.9 Ų3.90%02%0.021CC..Hα-helixtrans-59.1-42.5-176-65.4158.1000112.3I347 I535 V538 L539 I665 L671 Q672 L673I347-I669 HydrophobicContact CG2-CG2 4.43Å; I535-I669 HydrophobicContact CB-CD1 4.29Å; I535-I669 HydrophobicContact CG1-CD1 3.88Å; I535-I669 HydrophobicContact CG2-CD1 3.8Å; V538-I669 HydrophobicContact CG1-CB 3.91Å; V538-I669 HydrophobicContact CG1-CG2 3.81Å; L539-I669 HydrophobicContact CD2-CG2 3.77Å; L539-I669 HydrophobicContact CG-CG2 4.48Å; I665-I669 WeakPolarHBondContact O-CD1 3.27Å; I665-I669 WeakPolarHBondContact O-CG1 3.34Å; I669-L671 PolarHBondContact O-N 3.1Å; I669-Q672 WeakPolarHBondContact O-CB 3.47Å; I669-Q672 PolarHBondContact O-N 3.34Å; I669-Q672 VanDerWaalsContact O-N 3.11Å; I669-L673 HydrophobicContact CG2-CD1 4.28Å; I669-L673 HydrophobicContact CG2-CG 4.43Å; I669-L673 PolarHBondContact O-N 3.05Å
670P98.8Very high98.5Very high3 Ų37.2 Ų7.22%0.0194%0.04CC..Hα-helixtrans-57.4-32.5173.1-27.836.6000113.6V538 I545 I637 I653 V655 L666 L674V538-P670 HydrophobicContact CG1-CG 3.87Å; I545-P670 HydrophobicContact CD1-CB 3.89Å; I637-P670 HydrophobicContact CD1-CB 4.25Å; I653-P670 HydrophobicContact CG2-CB 4.08Å; I653-P670 HydrophobicContact CG2-CG 4.07Å; V655-P670 HydrophobicContact CG1-CG 3.88Å; L666-P670 WeakPolarHBondContact O-CD 3.31Å; P670-L674 WeakPolarHBondContact O-CB 3.49Å; P670-L674 PolarHBondContact O-N 3.01Å
671L98.8Very high98.5Very high1 Ų19.1 Ų9.11%0.0055%0.05CC..Hα-helixtrans-76.9-33.7178-58.7176000111.8I560 T569 I608 I610 I637 V668 I669 L674 A675I560-L671 HydrophobicContact CD1-CD2 4.49Å; I560-L671 HydrophobicContact CG2-CD1 4.28Å; T569-L671 HydrophobicContact CG2-CD1 3.94Å; I608-L671 HydrophobicContact CD1-CD2 4.25Å; I608-L671 HydrophobicContact CG2-CD2 4.25Å; I610-L671 HydrophobicContact CD1-CD1 4.3Å; I637-L671 HydrophobicContact CD1-CD1 4.49Å; I637-L671 HydrophobicContact CD1-CD2 3.77Å; I637-L671 HydrophobicContact CD1-CG 3.99Å; V668-L671 WeakPolarHBondContact O-CA 3.39Å; V668-L671 WeakPolarHBondContact O-CB 2.91Å; V668-L671 PolarHBondContact O-N 3.48Å; I669-L671 PolarHBondContact O-N 3.1Å; L671-L674 HydrophobicContact CD2-CD2 4.44Å; L671-L674 PolarHBondContact O-N 3.09Å; L671-A675 WeakPolarHBondContact O-CB 3.25Å; L671-A675 PolarHBondContact O-N 2.82Å
672Q98.8Very high98.5Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-63.2-48171.2-64.6170.9-18.300110.8I347 V668 I669 A675 F676I347-Q672 HydrophobicContact CD1-CB 3.93Å; I347-Q672 HydrophobicContact CG1-CB 4.12Å; V668-Q672 PolarHBondContact O-N 2.81Å; I669-Q672 WeakPolarHBondContact O-CB 3.47Å; I669-Q672 PolarHBondContact O-N 3.34Å; I669-Q672 VanDerWaalsContact O-N 3.11Å; Q672-A675 PolarHBondContact O-N 3.11Å; Q672-F676 PolarHBondContact O-N 2.72Å
673L98.7Very high98.3Very high0 Ų014.8 Ų14.80%09%0.093CC..Hα-helixtrans-62.8-41.9175.3-68.3177.1000111.7I347 F348 L539 D542 I545 I669 A675 F676 H677I347-L673 HydrophobicContact CD1-CD2 4.46Å; I347-L673 HydrophobicContact CG2-CD2 3.59Å; I347-L673 HydrophobicContact CG2-CG 4.11Å; F348-L673 HydrophobicContact CD2-CD2 4.45Å; F348-L673 HydrophobicContact CE2-CD2 3.67Å; F348-L673 HydrophobicContact CZ-CD2 4.23Å; L539-L673 HydrophobicContact CD2-CD1 4.37Å; D542-L673 WeakPolarHBondContact OD1-CD2 3.31Å; I545-L673 HydrophobicContact CB-CB 4.34Å; I545-L673 HydrophobicContact CG1-CB 4.46Å; I545-L673 HydrophobicContact CG1-CD1 4.44Å; I545-L673 HydrophobicContact CG2-CB 3.86Å; I669-L673 HydrophobicContact CG2-CD1 4.28Å; I669-L673 HydrophobicContact CG2-CG 4.43Å; I669-L673 PolarHBondContact O-N 3.05Å; L673-A675 VanDerWaalsContact C-N 3.34Å; L673-A675 PolarHBondContact O-N 3.31Å; L673-F676 WeakPolarHBondContact O-CB 3.37Å; L673-F676 PolarHBondContact O-N 3.28Å; L673-H677 PolarHBondContact O-CD2 3.03Å; L673-H677 PolarHBondContact O-N 3.23Å
674L98.7Very high98.1Very high2 Ų218.8 Ų18.81%0.0111%0.108CC..Hα-helixtrans-61.2-45.2177.8178.560.2000111.2I545 L548 A549 L552 I577 I608 P670 L671 H677 L678I545-L674 HydrophobicContact CG2-CB 3.8Å; I545-L674 HydrophobicContact CG2-CD1 4.37Å; L548-L674 HydrophobicContact CD2-CD1 4.15Å; L548-L674 HydrophobicContact CD2-CD2 4.16Å; L548-L674 HydrophobicContact CG-CD1 4.01Å; A549-L674 HydrophobicContact CB-CD1 3.88Å; L552-L674 HydrophobicContact CD1-CD1 4.31Å; L552-L674 HydrophobicContact CD1-CD2 4.16Å; I577-L674 HydrophobicContact CD1-CD2 4.15Å; I608-L674 HydrophobicContact CD1-CD2 3.5Å; I608-L674 VanDerWaalsContact CD1-CD2 3.5Å; P670-L674 WeakPolarHBondContact O-CB 3.49Å; P670-L674 PolarHBondContact O-N 3.01Å; L671-L674 HydrophobicContact CD2-CD2 4.44Å; L671-L674 PolarHBondContact O-N 3.09Å; L674-H677 PolarHBondContact O-N 3.48Å; L674-L678 HydrophobicContact CD1-CD1 4.02Å; L674-L678 HydrophobicContact CD1-CG 4.08Å; L674-L678 HydrophobicContact CG-CD1 3.91Å; L674-L678 HydrophobicContact CG-CG 4.41Å; L674-L678 VanDerWaalsContact O-CB 3.27Å; L674-L678 WeakPolarHBondContact O-CB 3.27Å; L674-L678 WeakPolarHBondContact O-CG 3.41Å; L674-L678 PolarHBondContact O-N 3.15Å
675A98.4Very high97.8Very high0 Ų021.9 Ų21.90%013%0.125CC..Hα-helixtrans-62.4-43.6176.900000111.1K576 I577 I580 T581 L671 Q672 L673 A679K576-A675 HydrophobicContact CB-CB 3.93Å; I577-A675 HydrophobicContact CG1-CB 3.77Å; I580-A675 VanDerWaalsContact CD1-C 3.47Å; I580-A675 HydrophobicContact CD1-CB 3.53Å; I580-A675 HydrophobicContact CG1-CB 3.99Å; T581-A675 HydrophobicContact CG2-CB 4.41Å; T581-A675 VanDerWaalsContact CG2-O 3.22Å; T581-A675 WeakPolarHBondContact CG2-O 3.42Å; L671-A675 WeakPolarHBondContact O-CB 3.25Å; L671-A675 PolarHBondContact O-N 2.82Å; Q672-A675 PolarHBondContact O-N 3.11Å; L673-A675 VanDerWaalsContact C-N 3.34Å; L673-A675 PolarHBondContact O-N 3.31Å; A675-A679 WeakPolarHBondContact O-CB 3.49Å; A675-A679 PolarHBondContact O-N 3.27Å
676F98.4Very high97.5Very high8 Ų822.2 Ų22.24%0.03513%0.127CC..Hα-helixtrans-57.4-53.9175.6167.6-101.4000111.7S341 Q344 I347 Q672 L673 L678 A679 V680 V686S341-F676 WeakPolarHBondContact OG-CE2 3.43Å; Q344-F676 HydrophobicContact CB-CD2 4.37Å; Q344-F676 HydrophobicContact CB-CE2 3.81Å; Q344-F676 HydrophobicContact CB-CZ 3.92Å; Q344-F676 HydrophobicContact CG-CE1 4.29Å; Q344-F676 HydrophobicContact CG-CE2 4.38Å; Q344-F676 HydrophobicContact CG-CZ 3.99Å; I347-F676 HydrophobicContact CD1-CB 4.38Å; Q672-F676 PolarHBondContact O-N 2.72Å; L673-F676 WeakPolarHBondContact O-CB 3.37Å; L673-F676 PolarHBondContact O-N 3.28Å; F676-L678 PolarHBondContact O-N 3.46Å; F676-A679 PolarHBondContact O-N 2.87Å; F676-V680 HydrophobicContact CD2-CG2 4.32Å; F676-V680 HydrophobicContact CE1-CG2 4.24Å; F676-V680 HydrophobicContact CE2-CG2 3.85Å; F676-V680 HydrophobicContact CZ-CG2 3.81Å; F676-V680 WeakPolarHBondContact O-CG2 3.31Å; F676-V680 PolarHBondContact O-N 3.46Å; F676-V686 HydrophobicContact CD2-CB 4.33Å; F676-V686 HydrophobicContact CD2-CG1 3.92Å; F676-V686 HydrophobicContact CD2-CG2 4.08Å; F676-V686 HydrophobicContact CE2-CG1 4.34Å; F676-V686 HydrophobicContact CE2-CG2 4Å
677H98.6Very high97.1Very high13 Ų1322.4 Ų22.46%0.0613%0.128CC..Hα-helixtrans-66.2-36.8-177.5-70.3-53000112.9D542 Q546 A549 L673 L674 A679 V680 L681D542-H677 VanDerWaalsContact CG-NE2 3.32Å; D542-H677 IonicContact OD1-CD2 3.93Å; D542-H677 IonicContact OD1-CE1 2.81Å; D542-H677 IonicContact OD1-NE2 3.31Å; D542-H677 PolarHBondContact OD1-NE2 3.13Å; D542-H677 IonicContact OD2-CE1 3.65Å; D542-H677 PolarHBondContact OD2-CE1 3.17Å; D542-H677 IonicContact OD2-NE2 2.83Å; D542-H677 PolarHBondContact OD2-NE2 2.88Å; Q546-H677 WeakPolarHBondContact CG-CE1 3.28Å; Q546-H677 WeakPolarHBondContact CG-ND1 3.39Å; Q546-H677 VanDerWaalsContact CG-NE2 3.3Å; Q546-H677 WeakPolarHBondContact CG-NE2 3.45Å; Q546-H677 PolarHBondContact NE2-CE1 3.05Å; A549-H677 HydrophobicContact CB-CB 3.56Å; L673-H677 PolarHBondContact O-CD2 3.03Å; L673-H677 PolarHBondContact O-N 3.23Å; L674-H677 PolarHBondContact O-N 3.48Å; H677-A679 VanDerWaalsContact C-N 3.34Å; H677-A679 PolarHBondContact O-N 2.9Å; H677-V680 PolarHBondContact O-N 3.37Å; H677-L681 WeakPolarHBondContact O-CB 3.37Å; H677-L681 VanDerWaalsContact O-CG 3.3Å; H677-L681 WeakPolarHBondContact O-CG 3.45Å; H677-L681 PolarHBondContact O-N 3.31Å
678L98.4Very high96.5Very high1 Ų124 Ų241%0.00513%0.134CC..Hα-helixtrans-61.3-41.8173.5-80.2172.5000112.1A549 L552 Y553 I577 T581 M583 L674 F676 R682A549-L678 HydrophobicContact CB-CD2 4.28Å; A549-L678 HydrophobicContact CB-CG 4.16Å; A549-L678 WeakPolarHBondContact O-CD2 3.35Å; L552-L678 HydrophobicContact CB-CD2 3.98Å; Y553-L678 VanDerWaalsContact CA-CD2 3.46Å; I577-L678 HydrophobicContact CG2-CD1 4.45Å; T581-L678 HydrophobicContact CG2-CB 3.48Å; T581-L678 VanDerWaalsContact CG2-CB 3.48Å; T581-L678 HydrophobicContact CG2-CD1 4.28Å; M583-L678 HydrophobicContact CE-CD1 4Å; M583-L678 HydrophobicContact CE-CD2 4.06Å; L674-L678 HydrophobicContact CD1-CD1 4.02Å; L674-L678 HydrophobicContact CD1-CG 4.08Å; L674-L678 HydrophobicContact CG-CD1 3.91Å; L674-L678 HydrophobicContact CG-CG 4.41Å; L674-L678 VanDerWaalsContact O-CB 3.27Å; L674-L678 WeakPolarHBondContact O-CB 3.27Å; L674-L678 WeakPolarHBondContact O-CG 3.41Å; L674-L678 PolarHBondContact O-N 3.15Å; F676-L678 PolarHBondContact O-N 3.46Å; L678-R682 WeakPolarHBondContact O-CB 3.48Å; L678-R682 VanDerWaalsContact O-CG 3.23Å; L678-R682 WeakPolarHBondContact O-CG 3.47Å; L678-R682 PolarHBondContact O-N 2.76Å; L678-R682 VanDerWaalsContact O-N 3.1Å
679A97.7Very high95.8Very high0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-67.1-43.1177.700000111.6I580 T581 A675 F676 H677 R682 G683 Y684 V686I580-A679 HydrophobicContact CB-CB 4.36Å; I580-A679 HydrophobicContact CG1-CB 4.1Å; I580-A679 WeakPolarHBondContact O-CB 3.45Å; T581-A679 HydrophobicContact CG2-CB 4.3Å; A675-A679 WeakPolarHBondContact O-CB 3.49Å; A675-A679 PolarHBondContact O-N 3.27Å; F676-A679 PolarHBondContact O-N 2.87Å; H677-A679 VanDerWaalsContact C-N 3.34Å; H677-A679 PolarHBondContact O-N 2.9Å; A679-R682 CarbonylContact O-C 3.49Å; A679-R682 PolarHBondContact O-N 3.22Å; A679-G683 PolarHBondContact O-N 3.43Å; A679-G683 VanDerWaalsContact O-N 3.16Å; A679-Y684 PolarHBondContact O-N 3.32Å; A679-V686 HydrophobicContact CB-CG1 3.51Å
680V97.5Very high95Very high78 Ų7830.8 Ų30.847%0.47316%0.16SC..Hα-helixtrans-59.9-48175.11730000111.1F676 H677 R682 G683 V686F676-V680 HydrophobicContact CD2-CG2 4.32Å; F676-V680 HydrophobicContact CE1-CG2 4.24Å; F676-V680 HydrophobicContact CE2-CG2 3.85Å; F676-V680 HydrophobicContact CZ-CG2 3.81Å; F676-V680 WeakPolarHBondContact O-CG2 3.31Å; F676-V680 PolarHBondContact O-N 3.46Å; H677-V680 PolarHBondContact O-N 3.37Å; V680-R682 PolarHBondContact O-N 3.34Å; V680-G683 PolarHBondContact O-N 3.34Å; V680-V686 HydrophobicContact CG2-CG1 4.42Å
681L97.9Very high94.1Very high78 Ų7837.1 Ų37.141%0.40819%0.194SC..Hα-helixtrans-62-29.4177.7-74.1172.4000113.1A549 Y553 H677 G683A549-L681 HydrophobicContact CB-CD1 3.84Å; Y553-L681 HydrophobicContact CG-CB 4.29Å; H677-L681 WeakPolarHBondContact O-CB 3.37Å; H677-L681 VanDerWaalsContact O-CG 3.3Å; H677-L681 WeakPolarHBondContact O-CG 3.45Å; H677-L681 PolarHBondContact O-N 3.31Å; L681-G683 VanDerWaalsContact C-N 3.29Å
682R97.1Very high93.1Very high51 Ų5140.3 Ų40.319%0.19221%0.211CC..THydrogen-bonded Turntrans-84.1-1.8175.4-70.7176.1176.6-161.1-4.7113.7Y553 Q555 T581 L678 A679 V680 Y684Y553-R682 HydrophobicContact CD2-CG 4.47Å; Y553-R682 PolarHBondContact O-NE 3.29Å; Y553-R682 PolarHBondContact O-NH2 2.85Å; Q555-R682 PolarHBondContact O-NH2 3.4Å; T581-R682 PolarHBondContact O-NH1 3.35Å; L678-R682 WeakPolarHBondContact O-CB 3.48Å; L678-R682 VanDerWaalsContact O-CG 3.23Å; L678-R682 WeakPolarHBondContact O-CG 3.47Å; L678-R682 PolarHBondContact O-N 2.76Å; L678-R682 VanDerWaalsContact O-N 3.1Å; A679-R682 CarbonylContact O-C 3.49Å; A679-R682 PolarHBondContact O-N 3.22Å; V680-R682 PolarHBondContact O-N 3.34Å; R682-Y684 VanDerWaalsContact C-N 3.32Å; R682-Y684 HydrophobicContact CB-CD1 4.47Å; R682-Y684 HydrophobicContact CB-CD2 3.65Å; R682-Y684 HydrophobicContact CB-CE1 4.35Å; R682-Y684 HydrophobicContact CB-CE2 3.51Å; R682-Y684 HydrophobicContact CB-CG 4.13Å; R682-Y684 HydrophobicContact CG-CE2 4.18Å
683G95.6Very high91.8Very high68 Ų6840.8 Ų40.870%0.70121%0.214SC*.THydrogen-bonded Turntrans70.826.2-178.100000113.6A679 V680 L681A679-G683 PolarHBondContact O-N 3.43Å; A679-G683 VanDerWaalsContact O-N 3.16Å; V680-G683 PolarHBondContact O-N 3.34Å; L681-G683 VanDerWaalsContact C-N 3.29Å
684Y94.9Very high90.9Very high91 Ų9142.2 Ų42.236%0.35722%0.221SC..  trans-93.2150.1177.7-57.5-29.4000111.8T581 Y582 A679 R682 V686T581-Y684 VanDerWaalsContact O-CE2 3.3Å; T581-Y684 WeakPolarHBondContact O-CE2 3.24Å; Y582-Y684 AromaticContact CD2-CD2 3.63Å; Y582-Y684 HydrophobicContact CD2-CD2 3.63Å; Y582-Y684 HydrophobicContact CD2-CE1 4.36Å; Y582-Y684 AromaticContact CD2-CE2 3.32Å; Y582-Y684 HydrophobicContact CD2-CE2 3.32Å; Y582-Y684 HydrophobicContact CD2-CG 4.28Å; Y582-Y684 AromaticContact CD2-CZ 3.74Å; Y582-Y684 HydrophobicContact CE2-CD1 4.12Å; Y582-Y684 AromaticContact CE2-CD2 3.56Å; Y582-Y684 HydrophobicContact CE2-CD2 3.56Å; Y582-Y684 HydrophobicContact CE2-CE1 4.26Å; Y582-Y684 AromaticContact CE2-CE2 3.72Å; Y582-Y684 HydrophobicContact CE2-CE2 3.72Å; Y582-Y684 AromaticContact CE2-CG 3.79Å; Y582-Y684 HydrophobicContact CE2-CG 3.79Å; Y582-Y684 HydrophobicContact CG-CE2 4.33Å; A679-Y684 PolarHBondContact O-N 3.32Å; R682-Y684 VanDerWaalsContact C-N 3.32Å; R682-Y684 HydrophobicContact CB-CD1 4.47Å; R682-Y684 HydrophobicContact CB-CD2 3.65Å; R682-Y684 HydrophobicContact CB-CE1 4.35Å; R682-Y684 HydrophobicContact CB-CE2 3.51Å; R682-Y684 HydrophobicContact CB-CG 4.13Å; R682-Y684 HydrophobicContact CG-CE2 4.18Å; Y684-V686 PolarHBondContact O-N 2.81Å
685D92.2Very high89.7Confident65 Ų6542.5 Ų42.535%0.34822%0.223SC..  trans-84.4107.1175.7-170.3-15.2000109.9K65 D687 F688K65-D685 IonicContact NZ-OD2 3.87Å; K65-D685 PolarHBondContact NZ-OD2 3.44Å; D685-D687 VanDerWaalsContact C-N 3.26Å; D685-D687 PolarHBondContact O-N 3.15Å; D685-D687 PolarHBondContact OD1-N 2.95Å; D685-F688 HydrophobicContact CB-CB 4.33Å; D685-F688 CarbonylContact O-C 3.59Å; D685-F688 PolarHBondContact O-N 3.03Å; D685-F688 WeakPolarHBondContact OD2-CD2 3.24Å
686V92.6Very high88.8Confident7 Ų746.3 Ų46.34%0.04225%0.246CC..THydrogen-bonded Turntrans-67.1-24.8-176.3-65.20000113.6S341 M343 F676 A679 V680 Y684 F688S341-V686 VanDerWaalsContact CB-CG2 3.41Å; S341-V686 WeakPolarHBondContact OG-CG2 3.46Å; M343-V686 HydrophobicContact CB-CB 4.43Å; M343-V686 HydrophobicContact CB-CG2 4.29Å; M343-V686 HydrophobicContact SD-CB 4.3Å; F676-V686 HydrophobicContact CD2-CB 4.33Å; F676-V686 HydrophobicContact CD2-CG1 3.92Å; F676-V686 HydrophobicContact CD2-CG2 4.08Å; F676-V686 HydrophobicContact CE2-CG1 4.34Å; F676-V686 HydrophobicContact CE2-CG2 4Å; A679-V686 HydrophobicContact CB-CG1 3.51Å; V680-V686 HydrophobicContact CG2-CG1 4.42Å; Y684-V686 PolarHBondContact O-N 2.81Å; V686-F688 VanDerWaalsContact C-N 3.34Å
687D89.6Confident87.7Confident4 Ų447.2 Ų47.22%0.02125%0.252CS..THydrogen-bonded Turntrans-84.2-15.1178.2-68.9-25.5000111.3K336 S341 F342 M343 V490 D685K336-D687 VanDerWaalsContact CE-OD2 3.26Å; K336-D687 WeakPolarHBondContact CE-OD2 3.35Å; K336-D687 IonicContact NZ-OD2 2.7Å; K336-D687 PolarHBondContact NZ-OD2 2.85Å; S341-D687 VanDerWaalsContact CA-OD2 3.31Å; S341-D687 WeakPolarHBondContact CA-OD2 3.45Å; S341-D687 WeakPolarHBondContact CB-OD2 3.47Å; F342-D687 WeakPolarHBondContact CA-OD1 3.49Å; F342-D687 WeakPolarHBondContact CB-OD1 3.32Å; F342-D687 VanDerWaalsContact N-CG 3.32Å; F342-D687 PolarHBondContact N-OD1 3.19Å; F342-D687 PolarHBondContact N-OD2 3.44Å; M343-D687 PolarHBondContact N-OD1 3.39Å; V490-D687 VanDerWaalsContact CG2-O 3.26Å; V490-D687 WeakPolarHBondContact CG2-O 3.44Å; D685-D687 VanDerWaalsContact C-N 3.26Å; D685-D687 PolarHBondContact O-N 3.15Å; D685-D687 PolarHBondContact OD1-N 2.95Å
688F85.8Confident86.3Confident33 Ų3348.2 Ų48.215%0.14526%0.259CS..SBendtrans-13664.1-174.4-62.9-82.1000112.8E31 Y35 D685 V686 R690E31-F688 HydrophobicContact CB-CE1 4.21Å; E31-F688 HydrophobicContact CB-CZ 4.27Å; E31-F688 HydrophobicContact CG-CE1 3.71Å; E31-F688 HydrophobicContact CG-CZ 3.95Å; E31-F688 WeakPolarHBondContact OE2-CZ 3.4Å; Y35-F688 AromaticContact CD1-CD1 3.6Å; Y35-F688 HydrophobicContact CD1-CD1 3.6Å; Y35-F688 HydrophobicContact CD1-CE1 4.15Å; Y35-F688 HydrophobicContact CD2-CD1 4.42Å; Y35-F688 HydrophobicContact CE1-CB 4.5Å; Y35-F688 AromaticContact CE1-CD1 3.87Å; Y35-F688 HydrophobicContact CE1-CD1 3.87Å; Y35-F688 HydrophobicContact CE2-CB 4.49Å; Y35-F688 AromaticContact CG-CD1 3.89Å; Y35-F688 HydrophobicContact CG-CD1 3.89Å; Y35-F688 HydrophobicContact CG-CE1 4.39Å; D685-F688 HydrophobicContact CB-CB 4.33Å; D685-F688 CarbonylContact O-C 3.59Å; D685-F688 PolarHBondContact O-N 3.03Å; D685-F688 WeakPolarHBondContact OD2-CD2 3.24Å; V686-F688 VanDerWaalsContact C-N 3.34Å; F688-R690 PolarHBondContact O-N 3.08Å
689P84.9Confident84.1Confident1 Ų157.7 Ų57.71%0.00630%0.303CS..  trans-65.8130.217828.3-34.5000111.5Y35 V490 E579 I580 Y582 L692Y35-P689 PolarHBondContact OH-O 2.8Å; V490-P689 HydrophobicContact CB-CG 3.76Å; V490-P689 HydrophobicContact CG1-CG 3.49Å; V490-P689 VanDerWaalsContact CG1-CG 3.49Å; V490-P689 HydrophobicContact CG2-CG 4.41Å; E579-P689 VanDerWaalsContact O-CB 3.31Å; E579-P689 WeakPolarHBondContact O-CB 3.3Å; I580-P689 HydrophobicContact CG2-CB 4.43Å; Y582-P689 WeakPolarHBondContact OH-CA 3.41Å; P689-L692 HydrophobicContact CG-CB 4.3Å; P689-L692 HydrophobicContact CG-CD1 4.48Å; P689-L692 PolarHBondContact O-N 3Å
690R81.6Confident83.4Confident142 Ų14260.6 Ų60.654%0.53632%0.318SS..THydrogen-bonded Turntrans-52.9142.8-17574-165.3171.8163.90.7112.5Y582 F688 L692Y582-R690 VanDerWaalsContact CB-NH2 3.32Å; Y582-R690 HydrophobicContact CD1-CG 4.32Å; Y582-R690 HydrophobicContact CE1-CG 3.58Å; Y582-R690 HydrophobicContact CE2-CG 4.2Å; Y582-R690 VanDerWaalsContact CG-NH2 3.35Å; Y582-R690 PolarHBondContact OH-N 3.19Å; F688-R690 PolarHBondContact O-N 3.08Å; R690-L692 PolarHBondContact O-N 2.78Å
691N79.4Confident82.7Confident136 Ų13659.6 Ų59.673%0.72731%0.31SS*.THydrogen-bonded Turntrans64.28.2176.4-49.1-25.5000115.5
692L77.9Confident81.8Confident69 Ų6958.6 Ų58.636%0.36131%0.305SS..  trans-125.9154.8179.7-62.9175.8000109.4Y35 V490 E579 P689 R690Y35-L692 WeakPolarHBondContact CE1-O 3.37Å; Y35-L692 PolarHBondContact OH-O 3.41Å; V490-L692 HydrophobicContact CG1-CB 4.3Å; E579-L692 HydrophobicContact CB-CD1 4.31Å; E579-L692 HydrophobicContact CG-CD1 4.06Å; P689-L692 HydrophobicContact CG-CB 4.3Å; P689-L692 HydrophobicContact CG-CD1 4.48Å; P689-L692 PolarHBondContact O-N 3Å; R690-L692 PolarHBondContact O-N 2.78Å
693A72.9Confident80.9Confident9 Ų959.1 Ų59.17%0.07431%0.311CS..  trans-141.8172.8156.200000109.4R33 W96 S695R33-A693 WeakPolarHBondContact O-CB 3.5Å; W96-A693 HydrophobicContact CD2-CB 4Å; W96-A693 HydrophobicContact CE3-CB 3.1Å; W96-A693 HydrophobicContact CH2-CB 3.99Å; W96-A693 VanDerWaalsContact CZ3-CA 3.48Å; W96-A693 HydrophobicContact CZ3-CB 3.13Å; A693-S695 VanDerWaalsContact C-N 3.3Å; A693-S695 PolarHBondContact O-N 3.01Å; A693-S695 VanDerWaalsContact O-N 3.12Å
694K78.3Confident80Confident31 Ų3158.5 Ų58.514%0.13529%0.287CS..SBendtrans-56.1-38.3-162.3-172.2-178.7-173.591.70114.9Y32 E487 G489 V490Y32-K694 HydrophobicContact CD2-CB 3.93Å; Y32-K694 HydrophobicContact CD2-CD 3.57Å; Y32-K694 HydrophobicContact CD2-CG 4.36Å; Y32-K694 HydrophobicContact CE2-CB 4.36Å; Y32-K694 HydrophobicContact CE2-CD 3.52Å; E487-K694 WeakPolarHBondContact O-CE 3.47Å; E487-K694 PolarHBondContact O-NZ 2.96Å; E487-K694 IonicContact OE2-NZ 3.56Å; G489-K694 PolarHBondContact O-NZ 2.76Å; V490-K694 HydrophobicContact CG2-CB 4.47Å
695S74.8Confident79Confident7 Ų756.3 Ų56.35%0.04928%0.282CS..  trans-134134.2-17555.70000112.6M1 A693M1-S695 WeakPolarHBondContact CB-OG 3.25Å; M1-S695 PolarHBondContact N-O 2.71Å; A693-S695 VanDerWaalsContact C-N 3.3Å; A693-S695 PolarHBondContact O-N 3.01Å; A693-S695 VanDerWaalsContact O-N 3.12Å
696V79.7Confident78.1Confident80 Ų8055.7 Ų55.749%0.48528%0.278SS..  trans-97.2104.2173.8-175.70000108.1T444 A445T444-V696 WeakPolarHBondContact CA-O 3.5Å; A445-V696 PolarHBondContact N-O 3.07Å; A445-V696 VanDerWaalsContact N-O 3.16Å
697T73.9Confident76.9Confident27 Ų2759.5 Ų59.517%0.16630%0.296CS..  trans-124.26-171.162.20000113.3M1 E443M1-T697 HydrophobicContact CE-CG2 3.06Å; M1-T697 HydrophobicContact CG-CG2 4.4Å; M1-T697 WeakPolarHBondContact CG-OG1 3.34Å; M1-T697 HydrophobicContact SD-CG2 4.44Å; E443-T697 HydrophobicContact CB-CG2 3.82Å; E443-T697 WeakPolarHBondContact O-CG2 3.14Å
698V68.8Low75.9Confident34 Ų3464.1 Ų64.121%0.20632%0.319CS..  trans-141.5147.6173.9-66.10000106T98 I125T98-V698 HydrophobicContact CG2-CG2 4.01Å; I125-V698 HydrophobicContact CD1-CB 3.71Å; I125-V698 HydrophobicContact CD1-CG1 4.35Å; I125-V698 HydrophobicContact CD1-CG2 4.07Å; I125-V698 HydrophobicContact CG1-CB 4Å; I125-V698 HydrophobicContact CG1-CG1 4.08Å; I125-V698 HydrophobicContact CG1-CG2 4.4Å
699E52.8Low75Confident200 Ų20066.9 Ų66.994%0.93534%0.335SS*.  trans-70.90173-73.8176.7-173.700112.3I125I125-E699 WeakPolarHBondContact CD1-O 3.48Å

Retrieved 699 of 699 residues in 836.2 ms (Link to these results)

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