A0A060WMX9_ONCMY Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A060WMX9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene RAP2A, Length 183 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
1M78.7Confident94.4Very high122 Ų12247 Ų4760%0.60121%0.211SC*.  01250-147.3169.7-16500106.4E43 P50 V52M1-E43 HydrophobicContact CE-CB 3.92Å; M1-E43 HydrophobicContact CE-CG 3.77Å; M1-E43 HydrophobicContact SD-CG 4.34Å; M1-P50 HydrophobicContact CE-CB 3.83Å; M1-P50 HydrophobicContact CG-CB 4.16Å; M1-P50 VanDerWaalsContact CG-O 3.22Å; M1-P50 WeakPolarHBondContact CG-O 3.39Å; M1-V52 HydrophobicContact CE-CG2 4.31Å; M1-V52 HydrophobicContact CG-CG2 3.99Å; M1-V52 HydrophobicContact SD-CG2 3.56Å; M1-V52 VanDerWaalsContact SD-CG2 3.56Å
2R91.2Very high94.2Very high161 Ų16146.7 Ų46.761%0.60823%0.23SC*.EExtended strand (participates in β ladder)trans-77.8141.9176.4-75.1-177.6179.1178.71.9109Y4 S51 V52 D165R2-Y4 HydrophobicContact CB-CD2 4.41Å; R2-Y4 HydrophobicContact CB-CE2 3.55Å; R2-Y4 WeakPolarHBondContact CD-OH 3.46Å; R2-S51 WeakPolarHBondContact O-CA 3.47Å; R2-V52 PolarHBondContact O-N 2.86Å; R2-D165 IonicContact NH1-OD1 3.58Å; R2-D165 PolarHBondContact NH1-OD1 2.9Å
3E95.3Very high94Very high104 Ų10448 Ų4849%0.48626%0.263SS..EExtended strand (participates in β ladder)trans-107.6133176.5-55.9-166.1142.200109.1R41 V52E3-R41 IonicContact OE1-NH2 3.15Å; E3-R41 PolarHBondContact OE1-NH2 3Å; E3-R41 VanDerWaalsContact OE1-NH2 3.15Å; E3-V52 WeakPolarHBondContact CA-O 3.49Å; E3-V52 HydrophobicContact CB-CB 4.47Å; E3-V52 HydrophobicContact CG-CB 4.08Å; E3-V52 HydrophobicContact CG-CG1 4.46Å
4Y97.2Very high94.2Very high12 Ų1244.6 Ų44.65%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-126135.2-179.2-58.7-94.1000110.9R2 V52 L53 E54 V161 M164 D165R2-Y4 HydrophobicContact CB-CD2 4.41Å; R2-Y4 HydrophobicContact CB-CE2 3.55Å; R2-Y4 WeakPolarHBondContact CD-OH 3.46Å; Y4-V52 PolarHBondContact N-O 3.37Å; Y4-L53 HydrophobicContact CD2-CD1 4.34Å; Y4-L53 HydrophobicContact CG-CD1 4.43Å; Y4-E54 PolarHBondContact O-N 2.75Å; Y4-V161 HydrophobicContact CD2-CG1 4.2Å; Y4-V161 HydrophobicContact CD2-CG2 4.37Å; Y4-V161 HydrophobicContact CE1-CG1 4.21Å; Y4-V161 HydrophobicContact CE2-CG1 3.83Å; Y4-V161 HydrophobicContact CG-CG2 4.49Å; Y4-M164 VanDerWaalsContact CB-CE 3.47Å; Y4-M164 HydrophobicContact CD1-CB 3.83Å; Y4-M164 HydrophobicContact CD1-CE 3.66Å; Y4-M164 HydrophobicContact CD1-SD 3.94Å; Y4-M164 HydrophobicContact CE1-CB 4.07Å; Y4-M164 HydrophobicContact CG-CE 3.83Å; Y4-M164 HydrophobicContact CG-SD 4.45Å; Y4-D165 PolarHBondContact OH-OD1 2.88Å; Y4-D165 PolarHBondContact OH-OD2 2.84Å
5K97.3Very high94.3Very high95 Ų9542.7 Ų42.741%0.41324%0.239SC..EExtended strand (participates in β ladder)trans-103.5109.5178.6-64-179.6-179.6-175.20110.1E54 Q76 G77K5-E54 CarbonylContact C-O 3.5Å; K5-E54 WeakPolarHBondContact CA-O 3.46Å; K5-E54 WeakPolarHBondContact CE-OE2 3.47Å; K5-E54 HydrophobicContact CG-CB 4.3Å; K5-Q76 HydrophobicContact CB-CG 4.38Å; K5-Q76 WeakPolarHBondContact O-CA 3.28Å; K5-Q76 PolarHBondContact O-N 3.36Å; K5-G77 PolarHBondContact O-N 3Å; K5-G77 VanDerWaalsContact O-N 3.15Å
6V97.8Very high94.4Very high1 Ų140.8 Ų40.81%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-106.5136.5178.6-179.60000109.4L53 E54 I55 L56 G77 I79 I160 M164V6-L53 HydrophobicContact CG2-CD1 4.48Å; V6-L53 HydrophobicContact CG2-CD2 4.21Å; V6-L53 HydrophobicContact CG2-CG 4.11Å; V6-E54 PolarHBondContact N-O 3.05Å; V6-I55 WeakPolarHBondContact O-CA 3.37Å; V6-L56 PolarHBondContact O-N 2.85Å; V6-G77 WeakPolarHBondContact CA-O 3.4Å; V6-I79 HydrophobicContact CG1-CD1 3.69Å; V6-I79 HydrophobicContact CG1-CG1 3.84Å; V6-I160 HydrophobicContact CG1-CG1 4.19Å; V6-I160 HydrophobicContact CG1-CG2 4.23Å; V6-I160 HydrophobicContact CG2-CG1 4.19Å; V6-I160 HydrophobicContact CG2-CG2 3.8Å; V6-M164 HydrophobicContact CG2-CE 3.55Å; V6-M164 HydrophobicContact CG2-SD 4.31Å
7V97.7Very high94.5Very high3 Ų339.2 Ų39.22%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-115.1127.9174.1-172.10000108.9L9 L56 T58 G77 F78 I79V7-L9 HydrophobicContact CG1-CD1 4.42Å; V7-L9 HydrophobicContact CG1-CD2 3.87Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; V7-L56 HydrophobicContact CG1-CB 4.5Å; V7-L56 HydrophobicContact CG1-CD2 4.28Å; V7-L56 HydrophobicContact CG1-CG 4.38Å; V7-L56 HydrophobicContact CG2-CB 4.35Å; V7-L56 HydrophobicContact CG2-CD2 4.33Å; V7-T58 HydrophobicContact CG1-CG2 3.89Å; V7-G77 PolarHBondContact N-O 3.28Å; V7-F78 HydrophobicContact CB-CD1 3.92Å; V7-F78 HydrophobicContact CB-CE1 3.98Å; V7-F78 HydrophobicContact CG2-CD1 4.46Å; V7-F78 HydrophobicContact CG2-CE1 4.04Å; V7-F78 WeakPolarHBondContact O-CA 3.38Å; V7-I79 PolarHBondContact O-N 3.4Å
8V97.8Very high94.6Very high1 Ų138.4 Ų38.41%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-99118.3177.4-167.80000108.9K16 I55 L56 T58 I79 V81V8-K16 HydrophobicContact CB-CB 4.48Å; V8-K16 HydrophobicContact CG1-CB 3.7Å; V8-K16 HydrophobicContact CG1-CD 4.13Å; V8-K16 HydrophobicContact CG1-CG 3.86Å; V8-I55 HydrophobicContact CG2-CG2 3.77Å; V8-L56 PolarHBondContact N-O 3.1Å; V8-T58 PolarHBondContact O-OG1 3.15Å; V8-I79 HydrophobicContact CG1-CB 4.38Å; V8-I79 HydrophobicContact CG1-CG2 4.39Å; V8-I79 HydrophobicContact CG2-CB 4.48Å; V8-I79 HydrophobicContact CG2-CD1 4.46Å; V8-V81 HydrophobicContact CG1-CG2 3.68Å
9L96.1Very high94.8Very high2 Ų236.5 Ų36.51%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-124.8157.2-176.2-61.4171.8000110.8V7 K16 T58 R68 I72 F78 I79 L80 V81 I100V7-L9 HydrophobicContact CG1-CD1 4.42Å; V7-L9 HydrophobicContact CG1-CD2 3.87Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; L9-K16 VanDerWaalsContact C-CD 3.49Å; L9-T58 HydrophobicContact CD2-CG2 3.91Å; L9-R68 HydrophobicContact CD2-CG 4.38Å; L9-I72 HydrophobicContact CD1-CG1 4.26Å; L9-F78 HydrophobicContact CD1-CD1 4.08Å; L9-I79 PolarHBondContact N-O 2.8Å; L9-L80 HydrophobicContact CB-CD2 3.91Å; L9-L80 HydrophobicContact CD1-CD2 4.45Å; L9-V81 PolarHBondContact O-N 3.48Å; L9-I100 HydrophobicContact CD1-CD1 3.96Å; L9-I100 HydrophobicContact CD1-CG1 4.18Å
10G95.6Very high94.9Very high3 Ų334.7 Ų34.73%0.03120%0.198CC..  trans147.8163.9-174.800000111.9K16 G60 V81 M96G10-K16 PolarHBondContact O-NZ 3.43Å; G10-G60 VanDerWaalsContact O-CA 3.24Å; G10-G60 WeakPolarHBondContact O-CA 3.47Å; G10-V81 VanDerWaalsContact CA-O 3.27Å; G10-V81 WeakPolarHBondContact CA-O 3.27Å; G10-M96 VanDerWaalsContact CA-SD 3.6Å
11S93.8Very high94.9Very high13 Ų1333.6 Ų33.69%0.09119%0.192CC..SBendtrans-60.6167.2-177.4-55.50000113V14 K16 D92S11-V14 WeakPolarHBondContact O-CG1 3.26Å; S11-V14 VanDerWaalsContact O-CG2 3.26Å; S11-V14 WeakPolarHBondContact O-CG2 3.5Å; S11-K16 PolarHBondContact O-NZ 2.93Å; S11-D92 VanDerWaalsContact OG-CB 3.22Å; S11-D92 WeakPolarHBondContact OG-CB 3.47Å; S11-D92 PolarHBondContact OG-OD2 2.88Å
12G91.9Very high95.8Very high43 Ų4328.3 Ų28.344%0.44317%0.166SC..THydrogen-bonded Turntrans-58140.5173.700000111.7V14 G60G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 3.22Å; G12-G60 PolarHBondContact N-O 3.5Å
13G92.3Very high96.1Very high64 Ų6421 Ų2166%0.6614%0.138SC*.THydrogen-bonded Turntrans73.24.3173.100000116.7G15 K117G13-G15 PolarHBondContact O-N 2.9Å; G13-K117 WeakPolarHBondContact O-CE 3.25Å; G13-K117 PolarHBondContact O-NZ 3.1Å
14V96.1Very high96.2Very high1 Ų118.1 Ų18.11%0.00613%0.128CC..SBendtrans-72.7-16.5177.2-56.40000113.4S11 G12 K16 V81 N116S11-V14 WeakPolarHBondContact O-CG1 3.26Å; S11-V14 VanDerWaalsContact O-CG2 3.26Å; S11-V14 WeakPolarHBondContact O-CG2 3.5Å; G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 3.22Å; V14-K16 HydrophobicContact CG2-CD 4.36Å; V14-K16 HydrophobicContact CG2-CG 3.65Å; V14-V81 HydrophobicContact CB-CG1 4.3Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.86Å; V14-N116 PolarHBondContact O-ND2 3.1Å
15G95.9Very high96Very high16 Ų1621.1 Ų21.117%0.16515%0.148CC..SBendtrans100.327175.900000115.7G13 A18 L19G13-G15 PolarHBondContact O-N 2.9Å; G15-A18 PolarHBondContact O-N 2.83Å; G15-L19 WeakPolarHBondContact O-CG 3.35Å; G15-L19 PolarHBondContact O-N 3.27Å
16K96.4Very high95.8Very high11 Ų1118.7 Ų18.75%0.04815%0.149CC..Hα-helixtrans-54.1-56.5174.3-56.8-172.9-62.1-73.10112.1V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 G60 V81V8-K16 HydrophobicContact CB-CB 4.48Å; V8-K16 HydrophobicContact CG1-CB 3.7Å; V8-K16 HydrophobicContact CG1-CD 4.13Å; V8-K16 HydrophobicContact CG1-CG 3.86Å; L9-K16 VanDerWaalsContact C-CD 3.49Å; G10-K16 PolarHBondContact O-NZ 3.43Å; S11-K16 PolarHBondContact O-NZ 2.93Å; V14-K16 HydrophobicContact CG2-CD 4.36Å; V14-K16 HydrophobicContact CG2-CG 3.65Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 3.24Å; K16-L19 PolarHBondContact O-N 3.41Å; K16-T20 PolarHBondContact O-N 3.04Å; K16-T20 PolarHBondContact O-OG1 2.91Å; K16-D57 VanDerWaalsContact CB-OD1 3.25Å; K16-D57 WeakPolarHBondContact CB-OD1 3.23Å; K16-T58 WeakPolarHBondContact CE-O 3.27Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å; K16-V81 HydrophobicContact CG-CB 4.22Å; K16-V81 HydrophobicContact CG-CG2 4.32Å
17S95.4Very high95.5Very high15 Ų1522.1 Ų22.111%0.10517%0.17CC..Hα-helixtrans-60.6-39.5176.9-40.50000112L19 T20 V21 T35 D57S17-L19 PolarHBondContact O-N 3.3Å; S17-T20 PolarHBondContact O-N 3.28Å; S17-V21 VanDerWaalsContact O-CB 3.3Å; S17-V21 WeakPolarHBondContact O-CB 3.32Å; S17-V21 VanDerWaalsContact O-CG2 3.24Å; S17-V21 WeakPolarHBondContact O-CG2 3.15Å; S17-V21 PolarHBondContact O-N 2.83Å; S17-T35 PolarHBondContact OG-OG1 2.67Å; S17-D57 WeakPolarHBondContact CA-OD2 3.23Å; S17-D57 WeakPolarHBondContact CB-OD2 3.19Å; S17-D57 PolarHBondContact N-OD1 3.29Å; S17-D57 PolarHBondContact OG-OD2 3.18Å
18A96.1Very high95.1Very high25 Ų2525.6 Ų25.621%0.20719%0.185CC..Hα-helixtrans-63.8-41.4177.600000112.1G15 K16 Q22 F28 A147G15-A18 PolarHBondContact O-N 2.83Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 3.24Å; A18-Q22 WeakPolarHBondContact O-CB 3.29Å; A18-Q22 PolarHBondContact O-N 2.96Å; A18-F28 HydrophobicContact CB-CD2 4.4Å; A18-F28 HydrophobicContact CB-CE2 4.02Å; A18-A147 HydrophobicContact CB-CB 3.64Å
19L98.1Very high94.5Very high1 Ų129.9 Ų29.91%0.00521%0.207CC..Hα-helixtrans-65-47.1174.3-73.4169.9000111.3G15 K16 S17 Q22 F23 V81 V114 N116 A147 V153 L156G15-L19 WeakPolarHBondContact O-CG 3.35Å; G15-L19 PolarHBondContact O-N 3.27Å; K16-L19 PolarHBondContact O-N 3.41Å; S17-L19 PolarHBondContact O-N 3.3Å; L19-Q22 PolarHBondContact O-N 2.94Å; L19-F23 WeakPolarHBondContact O-CB 3.45Å; L19-F23 PolarHBondContact O-N 2.98Å; L19-V81 HydrophobicContact CD1-CG1 3.97Å; L19-V81 HydrophobicContact CD1-CG2 4.12Å; L19-V114 HydrophobicContact CD1-CG1 4.39Å; L19-N116 HydrophobicContact CD1-CB 4.28Å; L19-A147 HydrophobicContact CD2-CB 3.96Å; L19-A147 HydrophobicContact CG-CB 4.2Å; L19-V153 HydrophobicContact CD2-CG2 3.84Å; L19-L156 HydrophobicContact CD1-CD2 4.34Å
20T97.1Very high93.5Very high0 Ų037.3 Ų37.30%024%0.242CC..Hα-helixtrans-63-48.3-179.6-580000111.7K16 S17 F23 V24 Y40 I55K16-T20 PolarHBondContact O-N 3.04Å; K16-T20 PolarHBondContact O-OG1 2.91Å; S17-T20 PolarHBondContact O-N 3.28Å; T20-F23 PolarHBondContact O-N 3.34Å; T20-V24 HydrophobicContact CG2-CG2 4.35Å; T20-V24 WeakPolarHBondContact O-CB 3.41Å; T20-V24 WeakPolarHBondContact O-CG2 3.44Å; T20-V24 PolarHBondContact O-N 3.15Å; T20-Y40 HydrophobicContact CG2-CD1 4.47Å; T20-Y40 HydrophobicContact CG2-CD2 3.36Å; T20-Y40 HydrophobicContact CG2-CE2 3.79Å; T20-Y40 HydrophobicContact CG2-CG 3.75Å; T20-I55 HydrophobicContact CG2-CB 4.24Å; T20-I55 HydrophobicContact CG2-CD1 4.26Å; T20-I55 HydrophobicContact CG2-CG2 3.77Å
21V95.6Very high92.5Very high12 Ų1246.2 Ų46.27%0.07328%0.28CS..Hα-helixtrans-63.7-47.6177.2173.20000110.1S17 F23 V24 T25 I29 Y32 Y40S17-V21 VanDerWaalsContact O-CB 3.3Å; S17-V21 WeakPolarHBondContact O-CB 3.32Å; S17-V21 VanDerWaalsContact O-CG2 3.24Å; S17-V21 WeakPolarHBondContact O-CG2 3.15Å; S17-V21 PolarHBondContact O-N 2.83Å; V21-F23 PolarHBondContact O-N 3.02Å; V21-V24 PolarHBondContact O-N 3.29Å; V21-T25 HydrophobicContact CG1-CG2 4.28Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.37Å; V21-T25 PolarHBondContact O-N 2.94Å; V21-T25 PolarHBondContact O-OG1 3.29Å; V21-I29 HydrophobicContact CG1-CD1 4.37Å; V21-Y32 HydrophobicContact CG2-CE2 4.37Å; V21-Y40 HydrophobicContact CG2-CE1 4.3Å
22Q97.2Very high91.3Very high11 Ų1150.1 Ų50.15%0.05129%0.293CS..Hα-helixtrans-58.2-38.5178.218070.8-37.100112.1A18 L19 G26 T27 A147 K150 V153A18-Q22 WeakPolarHBondContact O-CB 3.29Å; A18-Q22 PolarHBondContact O-N 2.96Å; L19-Q22 PolarHBondContact O-N 2.94Å; Q22-G26 WeakPolarHBondContact O-CA 3.37Å; Q22-G26 PolarHBondContact O-N 2.8Å; Q22-G26 PolarHBondContact OE1-O 3.21Å; Q22-T27 VanDerWaalsContact OE1-CA 3.26Å; Q22-T27 PolarHBondContact OE1-O 3.28Å; Q22-A147 VanDerWaalsContact CD-O 3.27Å; Q22-A147 VanDerWaalsContact CG-O 3.28Å; Q22-A147 WeakPolarHBondContact CG-O 3.5Å; Q22-A147 PolarHBondContact NE2-O 2.75Å; Q22-K150 HydrophobicContact CG-CB 4.36Å; Q22-K150 HydrophobicContact CG-CG 3.91Å; Q22-V153 HydrophobicContact CB-CG1 4.42Å; Q22-V153 HydrophobicContact CG-CG1 4.19Å; Q22-V153 HydrophobicContact CG-CG2 4.29Å
23F97.9Very high90.5Very high8 Ų854.8 Ų54.84%0.03531%0.308CS..Hα-helixtrans-66.6-48173.2176.3-115.4000111.7L19 T20 V21 K42 I44 L53 I55 V153 F157L19-F23 WeakPolarHBondContact O-CB 3.45Å; L19-F23 PolarHBondContact O-N 2.98Å; T20-F23 PolarHBondContact O-N 3.34Å; V21-F23 PolarHBondContact O-N 3.02Å; F23-K42 HydrophobicContact CD1-CD 4.06Å; F23-K42 HydrophobicContact CE1-CB 4.34Å; F23-K42 HydrophobicContact CE1-CD 3.76Å; F23-K42 HydrophobicContact CE1-CG 4.43Å; F23-K42 HydrophobicContact CZ-CD 4.03Å; F23-K42 PolarHBondContact O-NZ 3.13Å; F23-I44 HydrophobicContact CE1-CG2 4.39Å; F23-I44 HydrophobicContact CE2-CG2 4.32Å; F23-I44 HydrophobicContact CZ-CD1 4.39Å; F23-I44 HydrophobicContact CZ-CG2 3.6Å; F23-L53 HydrophobicContact CE1-CD2 4.22Å; F23-L53 HydrophobicContact CZ-CD2 4.47Å; F23-I55 HydrophobicContact CD1-CD1 3.66Å; F23-I55 HydrophobicContact CE1-CD1 3.8Å; F23-V153 HydrophobicContact CB-CG1 3.84Å; F23-F157 HydrophobicContact CB-CD2 3.54Å; F23-F157 HydrophobicContact CB-CE2 3.42Å; F23-F157 VanDerWaalsContact CB-CE2 3.42Å; F23-F157 HydrophobicContact CB-CG 4.42Å; F23-F157 HydrophobicContact CB-CZ 4.21Å; F23-F157 HydrophobicContact CD1-CB 4.14Å; F23-F157 HydrophobicContact CD1-CD1 4.05Å; F23-F157 AromaticContact CD1-CD2 3.66Å; F23-F157 HydrophobicContact CD1-CD2 3.66Å; F23-F157 HydrophobicContact CD1-CE1 4.37Å; F23-F157 HydrophobicContact CD1-CE2 4.03Å; F23-F157 AromaticContact CD1-CG 3.68Å; F23-F157 HydrophobicContact CD1-CG 3.68Å; F23-F157 HydrophobicContact CD1-CZ 4.36Å; F23-F157 HydrophobicContact CD2-CB 3.94Å; F23-F157 AromaticContact CD2-CD2 3.53Å; F23-F157 HydrophobicContact CD2-CD2 3.53Å; F23-F157 HydrophobicContact CD2-CE2 4.32Å; F23-F157 AromaticContact CD2-CG 3.95Å; F23-F157 HydrophobicContact CD2-CG 3.95Å; F23-F157 HydrophobicContact CE1-CB 3.73Å; F23-F157 HydrophobicContact CE1-CD1 4.08Å; F23-F157 HydrophobicContact CE1-CD2 4.16Å; F23-F157 AromaticContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 HydrophobicContact CE2-CD2 4.05Å; F23-F157 HydrophobicContact CE2-CG 4.01Å; F23-F157 HydrophobicContact CG-CB 4.21Å; F23-F157 AromaticContact CG-CD2 3.29Å; F23-F157 HydrophobicContact CG-CD2 3.29Å; F23-F157 AromaticContact CG-CE2 3.69Å; F23-F157 HydrophobicContact CG-CE2 3.69Å; F23-F157 AromaticContact CG-CG 3.77Å; F23-F157 HydrophobicContact CG-CG 3.77Å; F23-F157 HydrophobicContact CG-CZ 4.44Å; F23-F157 HydrophobicContact CZ-CB 3.35Å; F23-F157 HydrophobicContact CZ-CD2 4.3Å; F23-F157 AromaticContact CZ-CG 3.86Å; F23-F157 HydrophobicContact CZ-CG 3.86Å
24V96.5Very high89.8Confident43 Ų4357.8 Ų57.826%0.26132%0.316SS..Hα-helixtrans-72.1-45.6-172.6173.60000112.4T20 V21 Y40 I55T20-V24 HydrophobicContact CG2-CG2 4.35Å; T20-V24 WeakPolarHBondContact O-CB 3.41Å; T20-V24 WeakPolarHBondContact O-CG2 3.44Å; T20-V24 PolarHBondContact O-N 3.15Å; V21-V24 PolarHBondContact O-N 3.29Å; V24-Y40 HydrophobicContact CB-CD1 4.41Å; V24-Y40 HydrophobicContact CG1-CD1 4.22Å; V24-Y40 HydrophobicContact CG2-CD1 4.16Å; V24-Y40 HydrophobicContact CG2-CG 4.23Å; V24-I55 HydrophobicContact CG2-CD1 4.21Å
25T94Very high88.9Confident76 Ų7658.8 Ų58.847%0.46632%0.322SS..Hα-helixtrans-105.6-16.3-171.266.90000113.4V21 T27V21-T25 HydrophobicContact CG1-CG2 4.28Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.37Å; V21-T25 PolarHBondContact O-N 2.94Å; V21-T25 PolarHBondContact O-OG1 3.29Å; T25-T27 PolarHBondContact O-N 3Å; T25-T27 PolarHBondContact OG1-N 3.37Å; T25-T27 PolarHBondContact OG1-OG1 3.34Å
26G93.5Very high88Confident43 Ų4362.6 Ų62.644%0.44334%0.338SS..SBendtrans70.614.7-171.700000113.7Q22Q22-G26 WeakPolarHBondContact O-CA 3.37Å; Q22-G26 PolarHBondContact O-N 2.8Å; Q22-G26 PolarHBondContact OE1-O 3.21Å
27T90.5Very high87.3Confident73 Ų7365.7 Ų65.745%0.44835%0.352SS..  trans-121.3139.8-179.959.80000112.4Q22 T25Q22-T27 VanDerWaalsContact OE1-CA 3.26Å; Q22-T27 PolarHBondContact OE1-O 3.28Å; T25-T27 PolarHBondContact O-N 3Å; T25-T27 PolarHBondContact OG1-N 3.37Å; T25-T27 PolarHBondContact OG1-OG1 3.34Å
28F89.4Confident87Confident76 Ų7667.7 Ų67.733%0.33336%0.361SS..  trans-100.2127.1171.8179.2-103.5000109.8A18 E30 A147 K148A18-F28 HydrophobicContact CB-CD2 4.4Å; A18-F28 HydrophobicContact CB-CE2 4.02Å; F28-E30 HydrophobicContact CD1-CG 4.21Å; F28-E30 HydrophobicContact CE1-CG 3.6Å; F28-A147 HydrophobicContact CD2-CB 4.07Å; F28-A147 HydrophobicContact CE2-CB 4.09Å; F28-K148 HydrophobicContact CD1-CB 4.33Å; F28-K148 HydrophobicContact CD1-CG 4.07Å; F28-K148 HydrophobicContact CD2-CB 4.34Å; F28-K148 HydrophobicContact CE1-CB 4.12Å; F28-K148 HydrophobicContact CE1-CD 4.49Å; F28-K148 HydrophobicContact CE1-CG 3.9Å; F28-K148 HydrophobicContact CE2-CB 4.14Å; F28-K148 HydrophobicContact CG-CB 4.43Å; F28-K148 HydrophobicContact CZ-CB 4.03Å; F28-K148 HydrophobicContact CZ-CG 4.29Å
29I85.1Confident86.9Confident91 Ų9173.4 Ų73.447%0.46738%0.382SS..  trans-114.2116.5179.3-53.4177.4000108.1V21 K31V21-I29 HydrophobicContact CG1-CD1 4.37Å; I29-K31 VanDerWaalsContact CG2-O 3.23Å; I29-K31 WeakPolarHBondContact CG2-O 3.41Å
30E75.9Confident86.8Confident159 Ų15975.7 Ų75.774%0.74339%0.391SS*.SBendtrans-69.4-34.2-177.4-80.4-176.4171.300113.7F28F28-E30 HydrophobicContact CD1-CG 4.21Å; F28-E30 HydrophobicContact CE1-CG 3.6Å
31K73.9Confident86.8Confident190 Ų19082.4 Ų82.483%0.82642%0.416SS*.  trans-104.5116.2179.5-66.8-175.4-179.2-1790109.1I29I29-K31 VanDerWaalsContact CG2-O 3.23Å; I29-K31 WeakPolarHBondContact CG2-O 3.41Å
32Y68.8Low86.9Confident94 Ų9484.4 Ų84.437%0.36942%0.424SS..  trans-126.8137.6179.4-160.3-95000109.7V21 T35 D38 Y40V21-Y32 HydrophobicContact CG2-CE2 4.37Å; Y32-T35 VanDerWaalsContact CE1-OG1 3.25Å; Y32-T35 WeakPolarHBondContact CE1-OG1 3.34Å; Y32-D38 PolarHBondContact OH-OD2 3.07Å; Y32-Y40 PolarHBondContact OH-OH 3.08Å
33D74.5Confident86.9Confident142 Ų14289.9 Ų89.976%0.75945%0.45SS*.PPolyproline II helixtrans-74.5136.1172.2-70.6-33.4000109.1T35D33-T35 PolarHBondContact O-N 3.05Å; D33-T35 VanDerWaalsContact O-N 3.14Å
34P78Confident86.8Confident126 Ų12690.8 Ų90.882%0.81845%0.454SS*.PPolyproline II helixtrans-52.1122.8-177.1-27.534.3000113.5
35T76.6Confident86.8Confident22 Ų2295.5 Ų95.514%0.13547%0.474CS..PPolyproline II helixtrans-66.8139.8178.9-42.60000111.8S17 Y32 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 2.67Å; Y32-T35 VanDerWaalsContact CE1-OG1 3.25Å; Y32-T35 WeakPolarHBondContact CE1-OG1 3.34Å; D33-T35 PolarHBondContact O-N 3.05Å; D33-T35 VanDerWaalsContact O-N 3.14Å; T35-D38 HydrophobicContact CG2-CB 4.44Å; T35-A59 WeakPolarHBondContact O-CA 3.48Å; T35-A59 WeakPolarHBondContact O-CB 3.37Å
36I77.1Confident86.8Confident97 Ų9792.1 Ų92.150%0.49745%0.453SS..SBendtrans-97.8-65.7162.9-62176.9000108.3A59 F64I36-A59 VanDerWaalsContact O-CB 3.31Å; I36-A59 WeakPolarHBondContact O-CB 3.32Å; I36-A59 PolarHBondContact O-N 2.81Å; I36-F64 HydrophobicContact CB-CZ 4.41Å; I36-F64 HydrophobicContact CD1-CZ 4.35Å; I36-F64 HydrophobicContact CG1-CE2 4.36Å; I36-F64 HydrophobicContact CG1-CZ 3.96Å; I36-F64 HydrophobicContact CG2-CD1 4.14Å; I36-F64 HydrophobicContact CG2-CE1 3.72Å; I36-F64 HydrophobicContact CG2-CE2 4.4Å; I36-F64 HydrophobicContact CG2-CZ 3.86Å
37E81.8Confident86.8Confident76 Ų7695 Ų9536%0.35546%0.458SS..EExtended strand (participates in β ladder)trans-153.5140.6165.962.6-179.9-175.800108.1F39 L56 D57 Y71E37-F39 HydrophobicContact CG-CE2 4.46Å; E37-L56 HydrophobicContact CB-CD1 4.17Å; E37-D57 CarbonylContact C-O 3.41Å; E37-D57 WeakPolarHBondContact CA-O 3.3Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.4Å; E37-Y71 PolarHBondContact OE2-OH 3.15Å
38D90.7Very high86.8Confident56 Ų5696.2 Ų96.230%0.29947%0.47SS..EExtended strand (participates in β ladder)trans-134.4137.2173.4-75.5-47.7000109.7Y32 T35 Y40 D57Y32-D38 PolarHBondContact OH-OD2 3.07Å; T35-D38 HydrophobicContact CG2-CB 4.44Å; D38-Y40 HydrophobicContact CB-CD2 4.25Å; D38-Y40 HydrophobicContact CB-CE2 3.43Å; D38-Y40 VanDerWaalsContact CB-CE2 3.43Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 2.88Å; D38-D57 PolarHBondContact O-N 3.01Å
39F93.3Very high87Confident146 Ų14695.7 Ų95.764%0.6448%0.476SS*.EExtended strand (participates in β ladder)trans-106123.9177.7-69.4-87.9000110.3E37 L56E37-F39 HydrophobicContact CG-CE2 4.46Å; F39-L56 HydrophobicContact CD1-CB 4.47Å; F39-L56 HydrophobicContact CD1-CD1 4.02Å; F39-L56 HydrophobicContact CD2-CD1 4.43Å; F39-L56 HydrophobicContact CE1-CB 4.29Å; F39-L56 HydrophobicContact CE1-CD1 3.62Å; F39-L56 HydrophobicContact CE1-CD2 4.28Å; F39-L56 HydrophobicContact CE1-CG 4.27Å; F39-L56 HydrophobicContact CE2-CD1 4.06Å; F39-L56 HydrophobicContact CG-CD1 4.41Å; F39-L56 HydrophobicContact CZ-CD1 3.64Å; F39-L56 HydrophobicContact CZ-CD2 4.48Å
40Y96Very high87.4Confident49 Ų4995.2 Ų95.219%0.19248%0.478CS..EExtended strand (participates in β ladder)trans-118.2148.1175-59.9-93.9000110.2T20 V21 V24 Y32 D38 E54 I55 D57T20-Y40 HydrophobicContact CG2-CD1 4.47Å; T20-Y40 HydrophobicContact CG2-CD2 3.36Å; T20-Y40 HydrophobicContact CG2-CE2 3.79Å; T20-Y40 HydrophobicContact CG2-CG 3.75Å; V21-Y40 HydrophobicContact CG2-CE1 4.3Å; V24-Y40 HydrophobicContact CB-CD1 4.41Å; V24-Y40 HydrophobicContact CG1-CD1 4.22Å; V24-Y40 HydrophobicContact CG2-CD1 4.16Å; V24-Y40 HydrophobicContact CG2-CG 4.23Å; Y32-Y40 PolarHBondContact OH-OH 3.08Å; D38-Y40 HydrophobicContact CB-CD2 4.25Å; D38-Y40 HydrophobicContact CB-CE2 3.43Å; D38-Y40 VanDerWaalsContact CB-CE2 3.43Å; Y40-E54 CarbonylContact O-C 3.58Å; Y40-E54 WeakPolarHBondContact O-CA 3.05Å; Y40-I55 PolarHBondContact N-O 2.89Å; Y40-I55 PolarHBondContact O-N 3.26Å; Y40-D57 HydrophobicContact CD2-CB 4.47Å; Y40-D57 HydrophobicContact CE2-CB 4.14Å
41R96.9Very high88.4Confident141 Ų14187.7 Ų87.753%0.53244%0.444SS..EExtended strand (participates in β ladder)trans-131.4129.6174.8-170173-176.4-100.72.9109.2E3 V52 L53 E54E3-R41 IonicContact OE1-NH2 3.15Å; E3-R41 PolarHBondContact OE1-NH2 3Å; E3-R41 VanDerWaalsContact OE1-NH2 3.15Å; R41-V52 HydrophobicContact CG-CG1 3.78Å; R41-L53 CarbonylContact C-O 3.57Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.49Å; R41-E54 HydrophobicContact CG-CG 4.43Å
42K96.9Very high89.5Confident53 Ų5378.8 Ų78.823%0.2341%0.405CS..EExtended strand (participates in β ladder)trans-140.2133.7177.6-177.7169171.7-163.80111.2F23 I44 L53F23-K42 HydrophobicContact CD1-CD 4.06Å; F23-K42 HydrophobicContact CE1-CB 4.34Å; F23-K42 HydrophobicContact CE1-CD 3.76Å; F23-K42 HydrophobicContact CE1-CG 4.43Å; F23-K42 HydrophobicContact CZ-CD 4.03Å; F23-K42 PolarHBondContact O-NZ 3.13Å; K42-I44 HydrophobicContact CD-CG2 4.21Å; K42-I44 HydrophobicContact CG-CG2 3.95Å; K42-L53 PolarHBondContact N-O 3.04Å; K42-L53 PolarHBondContact O-N 2.55Å
43E97.5Very high90.9Very high127 Ų12774.3 Ų74.359%0.59339%0.387SS*.EExtended strand (participates in β ladder)trans-79.7130.9167.6-70.4-178.7-168.800109.5M1 V52M1-E43 HydrophobicContact CE-CB 3.92Å; M1-E43 HydrophobicContact CE-CG 3.77Å; M1-E43 HydrophobicContact SD-CG 4.34Å; E43-V52 HydrophobicContact CG-CG2 4.15Å
44I96.3Very high92Very high26 Ų2670.5 Ų70.513%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-136.8161.8177.362.2172.5000111.1F23 K42 V46 S51 L53 V161F23-I44 HydrophobicContact CE1-CG2 4.39Å; F23-I44 HydrophobicContact CE2-CG2 4.32Å; F23-I44 HydrophobicContact CZ-CD1 4.39Å; F23-I44 HydrophobicContact CZ-CG2 3.6Å; K42-I44 HydrophobicContact CD-CG2 4.21Å; K42-I44 HydrophobicContact CG-CG2 3.95Å; I44-V46 HydrophobicContact CD1-CG2 3.51Å; I44-V46 HydrophobicContact CG1-CG2 3.98Å; I44-S51 PolarHBondContact N-O 2.95Å; I44-S51 PolarHBondContact O-N 2.95Å; I44-L53 HydrophobicContact CD1-CD1 4Å; I44-L53 HydrophobicContact CD1-CD2 4.17Å; I44-L53 HydrophobicContact CD1-CG 4.49Å; I44-V161 HydrophobicContact CD1-CG2 4.12Å
45E95.4Very high92.9Very high142 Ų14264.5 Ų64.566%0.66433%0.326SS*.EExtended strand (participates in β ladder)trans-110.6121.2169-171179.2135.600108.1S48E45-S48 WeakPolarHBondContact OE1-CA 3.47Å
46V94.9Very high93.9Very high6 Ų664.2 Ų64.24%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-120.8121.5176.3-178.40000107.2I44 S48 S49 A158 V161 R162I44-V46 HydrophobicContact CD1-CG2 3.51Å; I44-V46 HydrophobicContact CG1-CG2 3.98Å; V46-S48 VanDerWaalsContact C-N 3.26Å; V46-S48 PolarHBondContact O-N 3.14Å; V46-S49 PolarHBondContact N-O 2.78Å; V46-S49 VanDerWaalsContact N-O 3.08Å; V46-S49 WeakPolarHBondContact O-CA 3.42Å; V46-S49 VanDerWaalsContact O-CB 3.32Å; V46-S49 WeakPolarHBondContact O-CB 3.37Å; V46-S49 PolarHBondContact O-N 2.77Å; V46-A158 HydrophobicContact CG1-CB 4.47Å; V46-A158 HydrophobicContact CG2-CB 4.21Å; V46-V161 HydrophobicContact CB-CB 4.45Å; V46-V161 HydrophobicContact CB-CG1 4.08Å; V46-V161 HydrophobicContact CG1-CB 4.24Å; V46-V161 HydrophobicContact CG1-CG1 4.08Å; V46-V161 HydrophobicContact CG2-CB 4.01Å; V46-V161 HydrophobicContact CG2-CG1 4.03Å; V46-V161 HydrophobicContact CG2-CG2 4.2Å; V46-R162 HydrophobicContact CG1-CG 3.8Å
47D92.9Very high94.6Very high102 Ų10259.6 Ų59.655%0.54530%0.3SS..THydrogen-bonded Turntrans48.846.9-179-52.5-21.9000112.7S49 R162D47-S49 PolarHBondContact O-N 3.4Å; D47-S49 VanDerWaalsContact O-N 3.15Å; D47-R162 IonicContact OD1-CZ 3.3Å; D47-R162 IonicContact OD1-NE 2.8Å; D47-R162 PolarHBondContact OD1-NE 3.14Å; D47-R162 IonicContact OD1-NH2 3.71Å; D47-R162 PolarHBondContact OD1-NH2 3.25Å; D47-R162 VanDerWaalsContact OD2-CD 3.31Å; D47-R162 WeakPolarHBondContact OD2-CD 3.49Å; D47-R162 IonicContact OD2-NE 3.55Å; D47-R162 PolarHBondContact OD2-NE 3.3Å
48S91.6Very high95Very high99 Ų9956.2 Ų56.269%0.69228%0.284SS*.THydrogen-bonded Turntrans61.814.8-176.3-57.60000115.7E45 V46E45-S48 WeakPolarHBondContact OE1-CA 3.47Å; V46-S48 VanDerWaalsContact C-N 3.26Å; V46-S48 PolarHBondContact O-N 3.14Å
49S92.6Very high94.6Very high66 Ų6654 Ų5446%0.46227%0.274SS..EExtended strand (participates in β ladder)trans-107.5117.9176.1-64.40000111.2V46 D47 S51V46-S49 PolarHBondContact N-O 2.78Å; V46-S49 VanDerWaalsContact N-O 3.08Å; V46-S49 WeakPolarHBondContact O-CA 3.42Å; V46-S49 VanDerWaalsContact O-CB 3.32Å; V46-S49 WeakPolarHBondContact O-CB 3.37Å; V46-S49 PolarHBondContact O-N 2.77Å; D47-S49 PolarHBondContact O-N 3.4Å; D47-S49 VanDerWaalsContact O-N 3.15Å; S49-S51 PolarHBondContact O-N 2.81Å; S49-S51 PolarHBondContact O-OG 3Å
50P95Very high93.5Very high80 Ų8047.9 Ų47.952%0.51925%0.252SS..EExtended strand (participates in β ladder)trans-69.2126.3177.726.9-33.1000111M1M1-P50 HydrophobicContact CE-CB 3.83Å; M1-P50 HydrophobicContact CG-CB 4.16Å; M1-P50 VanDerWaalsContact CG-O 3.22Å; M1-P50 WeakPolarHBondContact CG-O 3.39Å
51S95.7Very high92.3Very high2 Ų248.2 Ų48.21%0.01426%0.259CS..EExtended strand (participates in β ladder)trans-136.5151-172.8-620000111.4R2 I44 S49R2-S51 WeakPolarHBondContact O-CA 3.47Å; I44-S51 PolarHBondContact N-O 2.95Å; I44-S51 PolarHBondContact O-N 2.95Å; S49-S51 PolarHBondContact O-N 2.81Å; S49-S51 PolarHBondContact O-OG 3Å
52V97.1Very high90.8Very high2 Ų249.6 Ų49.61%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-109.6125.9172.5173.50000108M1 R2 E3 Y4 R41 E43M1-V52 HydrophobicContact CE-CG2 4.31Å; M1-V52 HydrophobicContact CG-CG2 3.99Å; M1-V52 HydrophobicContact SD-CG2 3.56Å; M1-V52 VanDerWaalsContact SD-CG2 3.56Å; R2-V52 PolarHBondContact O-N 2.86Å; E3-V52 WeakPolarHBondContact CA-O 3.49Å; E3-V52 HydrophobicContact CB-CB 4.47Å; E3-V52 HydrophobicContact CG-CB 4.08Å; E3-V52 HydrophobicContact CG-CG1 4.46Å; Y4-V52 PolarHBondContact N-O 3.37Å; R41-V52 HydrophobicContact CG-CG1 3.78Å; E43-V52 HydrophobicContact CG-CG2 4.15Å
53L97.6Very high89.2Confident0 Ų054.9 Ų54.90%030%0.297CS..EExtended strand (participates in β ladder)trans-101.7118.8172.7-124.468.1000110.2Y4 V6 F23 R41 K42 I44 I55 F157 V161Y4-L53 HydrophobicContact CD2-CD1 4.34Å; Y4-L53 HydrophobicContact CG-CD1 4.43Å; V6-L53 HydrophobicContact CG2-CD1 4.48Å; V6-L53 HydrophobicContact CG2-CD2 4.21Å; V6-L53 HydrophobicContact CG2-CG 4.11Å; F23-L53 HydrophobicContact CE1-CD2 4.22Å; F23-L53 HydrophobicContact CZ-CD2 4.47Å; R41-L53 CarbonylContact C-O 3.57Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.49Å; K42-L53 PolarHBondContact N-O 3.04Å; K42-L53 PolarHBondContact O-N 2.55Å; I44-L53 HydrophobicContact CD1-CD1 4Å; I44-L53 HydrophobicContact CD1-CD2 4.17Å; I44-L53 HydrophobicContact CD1-CG 4.49Å; L53-I55 HydrophobicContact CB-CG1 4.32Å; L53-I55 HydrophobicContact CD2-CD1 4.42Å; L53-I55 HydrophobicContact CD2-CG1 4.3Å; L53-I55 HydrophobicContact CG-CG1 4.46Å; L53-F157 HydrophobicContact CD2-CB 4.02Å; L53-F157 HydrophobicContact CD2-CD1 3.91Å; L53-F157 HydrophobicContact CD2-CG 4.42Å; L53-V161 HydrophobicContact CD1-CG2 3.1Å; L53-V161 HydrophobicContact CD2-CG2 4.44Å; L53-V161 HydrophobicContact CG-CG2 4.38Å
54E98Very high87.8Confident62 Ų6251.6 Ų51.629%0.2928%0.281SS..EExtended strand (participates in β ladder)trans-96.4114.2164.5-62.9-171.3157.500108Y4 K5 V6 Y40 R41Y4-E54 PolarHBondContact O-N 2.75Å; K5-E54 CarbonylContact C-O 3.5Å; K5-E54 WeakPolarHBondContact CA-O 3.46Å; K5-E54 WeakPolarHBondContact CE-OE2 3.47Å; K5-E54 HydrophobicContact CG-CB 4.3Å; V6-E54 PolarHBondContact N-O 3.05Å; Y40-E54 CarbonylContact O-C 3.58Å; Y40-E54 WeakPolarHBondContact O-CA 3.05Å; R41-E54 HydrophobicContact CG-CG 4.43Å
55I98.1Very high86.3Confident1 Ų152.1 Ų52.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-110.3120.2-174.7-47.9169000107.9V6 V8 T20 F23 V24 Y40 L53 F157V6-I55 WeakPolarHBondContact O-CA 3.37Å; V8-I55 HydrophobicContact CG2-CG2 3.77Å; T20-I55 HydrophobicContact CG2-CB 4.24Å; T20-I55 HydrophobicContact CG2-CD1 4.26Å; T20-I55 HydrophobicContact CG2-CG2 3.77Å; F23-I55 HydrophobicContact CD1-CD1 3.66Å; F23-I55 HydrophobicContact CE1-CD1 3.8Å; V24-I55 HydrophobicContact CG2-CD1 4.21Å; Y40-I55 PolarHBondContact N-O 2.89Å; Y40-I55 PolarHBondContact O-N 3.26Å; L53-I55 HydrophobicContact CB-CG1 4.32Å; L53-I55 HydrophobicContact CD2-CD1 4.42Å; L53-I55 HydrophobicContact CD2-CG1 4.3Å; L53-I55 HydrophobicContact CG-CG1 4.46Å; I55-F157 HydrophobicContact CD1-CD1 3.98Å; I55-F157 HydrophobicContact CD1-CE1 3.75Å; I55-F157 HydrophobicContact CD1-CZ 4.44Å; I55-F157 HydrophobicContact CG1-CE1 4.34Å; I55-F157 HydrophobicContact CG2-CE1 4.11Å
56L96.4Very high85.1Confident15 Ų1550.5 Ų50.58%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-96.8107.1169.3175.555.6000109V6 V7 V8 E37 F39 T58 Y71V6-L56 PolarHBondContact O-N 2.85Å; V7-L56 HydrophobicContact CG1-CB 4.5Å; V7-L56 HydrophobicContact CG1-CD2 4.28Å; V7-L56 HydrophobicContact CG1-CG 4.38Å; V7-L56 HydrophobicContact CG2-CB 4.35Å; V7-L56 HydrophobicContact CG2-CD2 4.33Å; V8-L56 PolarHBondContact N-O 3.1Å; E37-L56 HydrophobicContact CB-CD1 4.17Å; F39-L56 HydrophobicContact CD1-CB 4.47Å; F39-L56 HydrophobicContact CD1-CD1 4.02Å; F39-L56 HydrophobicContact CD2-CD1 4.43Å; F39-L56 HydrophobicContact CE1-CB 4.29Å; F39-L56 HydrophobicContact CE1-CD1 3.62Å; F39-L56 HydrophobicContact CE1-CD2 4.28Å; F39-L56 HydrophobicContact CE1-CG 4.27Å; F39-L56 HydrophobicContact CE2-CD1 4.06Å; F39-L56 HydrophobicContact CG-CD1 4.41Å; F39-L56 HydrophobicContact CZ-CD1 3.64Å; F39-L56 HydrophobicContact CZ-CD2 4.48Å; L56-T58 HydrophobicContact CD2-CG2 4.45Å; L56-T58 HydrophobicContact CG-CG2 4Å; L56-Y71 HydrophobicContact CD2-CD1 3.46Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.46Å; L56-Y71 HydrophobicContact CD2-CD2 4.35Å; L56-Y71 HydrophobicContact CD2-CE1 4.1Å; L56-Y71 HydrophobicContact CD2-CG 3.6Å
57D92.9Very high84.4Confident0 Ų054.2 Ų54.20%031%0.312CS..EExtended strand (participates in β ladder)trans-86.8125.7169.3-17939000109.4K16 S17 E37 D38 Y40K16-D57 VanDerWaalsContact CB-OD1 3.25Å; K16-D57 WeakPolarHBondContact CB-OD1 3.23Å; S17-D57 WeakPolarHBondContact CA-OD2 3.23Å; S17-D57 WeakPolarHBondContact CB-OD2 3.19Å; S17-D57 PolarHBondContact N-OD1 3.29Å; S17-D57 PolarHBondContact OG-OD2 3.18Å; E37-D57 CarbonylContact C-O 3.41Å; E37-D57 WeakPolarHBondContact CA-O 3.3Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 2.88Å; D38-D57 PolarHBondContact O-N 3.01Å; Y40-D57 HydrophobicContact CD2-CB 4.47Å; Y40-D57 HydrophobicContact CE2-CB 4.14Å
58T88.4Confident84Confident5 Ų550.9 Ų50.93%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-110.6156.4-174.277.90000112.2V7 V8 L9 K16 L56 Y71V7-T58 HydrophobicContact CG1-CG2 3.89Å; V8-T58 PolarHBondContact O-OG1 3.15Å; L9-T58 HydrophobicContact CD2-CG2 3.91Å; K16-T58 WeakPolarHBondContact CE-O 3.27Å; L56-T58 HydrophobicContact CD2-CG2 4.45Å; L56-T58 HydrophobicContact CG-CG2 4Å; T58-Y71 HydrophobicContact CG2-CD2 3.88Å; T58-Y71 HydrophobicContact CG2-CE2 4.23Å
59A83.6Confident83.9Confident9 Ų949.9 Ų49.97%0.07428%0.279CS..  trans-54143.1161.400000110.9T35 I36 T61 F64T35-A59 WeakPolarHBondContact O-CA 3.48Å; T35-A59 WeakPolarHBondContact O-CB 3.37Å; I36-A59 VanDerWaalsContact O-CB 3.31Å; I36-A59 WeakPolarHBondContact O-CB 3.32Å; I36-A59 PolarHBondContact O-N 2.81Å; A59-T61 VanDerWaalsContact C-N 3.33Å; A59-F64 HydrophobicContact CB-CD2 3.53Å; A59-F64 HydrophobicContact CB-CE2 4.12Å; A59-F64 HydrophobicContact CB-CG 4.31Å
60G70.3Confident83.8Confident18 Ų1851.4 Ų51.419%0.18628%0.281CS..  trans-9212.717100000114.2G10 G12 K16G10-G60 VanDerWaalsContact O-CA 3.24Å; G10-G60 WeakPolarHBondContact O-CA 3.47Å; G12-G60 PolarHBondContact N-O 3.5Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å
61T69.8Low83.6Confident56 Ų5648.5 Ų48.534%0.34426%0.26SS..SBendtrans-102.1148.7-175.264.40000111.5A59 Q63 F64A59-T61 VanDerWaalsContact C-N 3.33Å; T61-Q63 PolarHBondContact O-N 2.84Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.38Å
62E65.3Low83.5Confident170 Ų17048.4 Ų48.479%0.79426%0.259SS*.G310 helixtrans-68.5-17.4178.2-61.9-155.8130.800113.5F64 A65E62-F64 PolarHBondContact O-N 2.9Å; E62-F64 VanDerWaalsContact O-N 3.1Å; E62-A65 WeakPolarHBondContact O-CB 3.47Å; E62-A65 PolarHBondContact O-N 2.95Å
63Q64.3Low83.3Confident164 Ų16455.3 Ų55.377%0.76629%0.289SS*.G310 helixtrans-60.5-22.5-179.9-68157.2-9.100112.9T61T61-Q63 PolarHBondContact O-N 2.84Å
64F66.9Low83Confident58 Ų5859.7 Ų59.725%0.25431%0.312SS..G310 helixtrans-108.715.8177.6-56.7-75.3000113I36 A59 T61 E62 S66 M67I36-F64 HydrophobicContact CB-CZ 4.41Å; I36-F64 HydrophobicContact CD1-CZ 4.35Å; I36-F64 HydrophobicContact CG1-CE2 4.36Å; I36-F64 HydrophobicContact CG1-CZ 3.96Å; I36-F64 HydrophobicContact CG2-CD1 4.14Å; I36-F64 HydrophobicContact CG2-CE1 3.72Å; I36-F64 HydrophobicContact CG2-CE2 4.4Å; I36-F64 HydrophobicContact CG2-CZ 3.86Å; A59-F64 HydrophobicContact CB-CD2 3.53Å; A59-F64 HydrophobicContact CB-CE2 4.12Å; A59-F64 HydrophobicContact CB-CG 4.31Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.38Å; E62-F64 PolarHBondContact O-N 2.9Å; E62-F64 VanDerWaalsContact O-N 3.1Å; F64-S66 PolarHBondContact O-N 3.42Å; F64-S66 VanDerWaalsContact O-N 3.14Å; F64-M67 HydrophobicContact CD1-SD 4.42Å; F64-M67 PolarHBondContact O-N 2.92Å
65A65.3Low82.9Confident38 Ų3856.9 Ų56.931%0.31430%0.3SS..Hα-helixtrans-58.8-28.4-177.800000113.5E62 M67 R68E62-A65 WeakPolarHBondContact O-CB 3.47Å; E62-A65 PolarHBondContact O-N 2.95Å; A65-M67 VanDerWaalsContact C-N 3.28Å; A65-M67 PolarHBondContact O-N 2.68Å; A65-R68 VanDerWaalsContact O-CB 3.28Å; A65-R68 WeakPolarHBondContact O-CB 3.45Å; A65-R68 PolarHBondContact O-N 3.15Å
66S71.2Confident82.8Confident107 Ų10761 Ų6175%0.74832%0.319SS*.Hα-helixtrans-66.3-26.7176.755.60000113.7F64F64-S66 PolarHBondContact O-N 3.42Å; F64-S66 VanDerWaalsContact O-N 3.14Å
67M79.9Confident82.8Confident84 Ų8460.3 Ų60.341%0.41432%0.315SS..Hα-helixtrans-84.8-19.9176.2-62.9-180171.200112.2F64 A65 D69 L70 Y71F64-M67 HydrophobicContact CD1-SD 4.42Å; F64-M67 PolarHBondContact O-N 2.92Å; A65-M67 VanDerWaalsContact C-N 3.28Å; A65-M67 PolarHBondContact O-N 2.68Å; M67-D69 VanDerWaalsContact C-N 3.32Å; M67-D69 PolarHBondContact O-N 3.26Å; M67-L70 WeakPolarHBondContact O-CB 3.02Å; M67-L70 PolarHBondContact O-N 2.96Å; M67-Y71 HydrophobicContact CB-CE1 4.25Å; M67-Y71 HydrophobicContact CB-CE2 3.7Å; M67-Y71 WeakPolarHBondContact CB-OH 3.27Å; M67-Y71 WeakPolarHBondContact O-CD2 3.49Å; M67-Y71 PolarHBondContact O-N 2.98Å; M67-Y71 VanDerWaalsContact O-N 3.17Å; M67-Y71 PolarHBondContact SD-OH 2.83Å
68R84.3Confident83.1Confident32 Ų3260.3 Ų60.312%0.12132%0.315CS..Hα-helixtrans-59.8-39.3-175.8-165.2-175.5-69169.5-1.3112.9L9 A65 L70 Y71 I72L9-R68 HydrophobicContact CD2-CG 4.38Å; A65-R68 VanDerWaalsContact O-CB 3.28Å; A65-R68 WeakPolarHBondContact O-CB 3.45Å; A65-R68 PolarHBondContact O-N 3.15Å; R68-L70 VanDerWaalsContact C-N 3.25Å; R68-L70 PolarHBondContact O-N 3.28Å; R68-Y71 PolarHBondContact O-N 3.47Å; R68-I72 HydrophobicContact CG-CD1 3.83Å; R68-I72 HydrophobicContact CG-CG1 4.31Å; R68-I72 WeakPolarHBondContact O-CB 3.39Å; R68-I72 VanDerWaalsContact O-CG1 3.24Å; R68-I72 WeakPolarHBondContact O-CG1 3.22Å; R68-I72 PolarHBondContact O-N 3.23Å
69D89.4Confident83.6Confident79 Ų7960.1 Ų60.142%0.42231%0.314SS..Hα-helixtrans-61.7-34.8176.8-81.18.8000112M67 K73 Q99 V103M67-D69 VanDerWaalsContact C-N 3.32Å; M67-D69 PolarHBondContact O-N 3.26Å; D69-K73 WeakPolarHBondContact O-CB 3.13Å; D69-K73 PolarHBondContact O-N 2.89Å; D69-Q99 PolarHBondContact OD1-NE2 3.15Å; D69-V103 HydrophobicContact CB-CG2 4.39Å
70L89.6Confident84.3Confident98 Ų9859.7 Ų59.751%0.51331%0.311SS..Hα-helixtrans-69.7-44.6176.9-177.762.7000111.1M67 R68 I72 K73 N74M67-L70 WeakPolarHBondContact O-CB 3.02Å; M67-L70 PolarHBondContact O-N 2.96Å; R68-L70 VanDerWaalsContact C-N 3.25Å; R68-L70 PolarHBondContact O-N 3.28Å; L70-I72 VanDerWaalsContact C-N 3.35Å; L70-K73 PolarHBondContact O-N 3.02Å; L70-N74 WeakPolarHBondContact CD1-ND2 3.31Å; L70-N74 WeakPolarHBondContact O-CB 3.34Å; L70-N74 PolarHBondContact O-N 3.04Å; L70-N74 PolarHBondContact O-ND2 2.78Å
71Y91.2Very high85.6Confident18 Ų1858.9 Ų58.97%0.07130%0.302CS..Hα-helixtrans-60.3-46.7175.7-52.8-31.5000111E37 L56 T58 M67 R68 K73 N74 G75E37-Y71 WeakPolarHBondContact OE2-CE1 3.4Å; E37-Y71 PolarHBondContact OE2-OH 3.15Å; L56-Y71 HydrophobicContact CD2-CD1 3.46Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.46Å; L56-Y71 HydrophobicContact CD2-CD2 4.35Å; L56-Y71 HydrophobicContact CD2-CE1 4.1Å; L56-Y71 HydrophobicContact CD2-CG 3.6Å; T58-Y71 HydrophobicContact CG2-CD2 3.88Å; T58-Y71 HydrophobicContact CG2-CE2 4.23Å; M67-Y71 HydrophobicContact CB-CE1 4.25Å; M67-Y71 HydrophobicContact CB-CE2 3.7Å; M67-Y71 WeakPolarHBondContact CB-OH 3.27Å; M67-Y71 WeakPolarHBondContact O-CD2 3.49Å; M67-Y71 PolarHBondContact O-N 2.98Å; M67-Y71 VanDerWaalsContact O-N 3.17Å; M67-Y71 PolarHBondContact SD-OH 2.83Å; R68-Y71 PolarHBondContact O-N 3.47Å; Y71-K73 PolarHBondContact O-N 2.77Å; Y71-N74 PolarHBondContact O-N 3.21Å; Y71-G75 PolarHBondContact O-N 3.05Å
72I93.2Very high87Confident0 Ų056.2 Ų56.20%029%0.286CS..Hα-helixtrans-62.5-45.3176.6-66.2167.8000110.6L9 R68 L70 N74 F78 Q99 I100 V103 K104L9-I72 HydrophobicContact CD1-CG1 4.26Å; R68-I72 HydrophobicContact CG-CD1 3.83Å; R68-I72 HydrophobicContact CG-CG1 4.31Å; R68-I72 WeakPolarHBondContact O-CB 3.39Å; R68-I72 VanDerWaalsContact O-CG1 3.24Å; R68-I72 WeakPolarHBondContact O-CG1 3.22Å; R68-I72 PolarHBondContact O-N 3.23Å; L70-I72 VanDerWaalsContact C-N 3.35Å; I72-N74 VanDerWaalsContact C-N 3.25Å; I72-N74 PolarHBondContact O-N 2.72Å; I72-F78 HydrophobicContact CB-CE1 4.25Å; I72-F78 HydrophobicContact CB-CZ 4.45Å; I72-F78 HydrophobicContact CG1-CE1 4.15Å; I72-F78 HydrophobicContact CG2-CE1 4.21Å; I72-F78 HydrophobicContact CG2-CZ 4.02Å; I72-F78 WeakPolarHBondContact O-CZ 3.49Å; I72-Q99 HydrophobicContact CD1-CB 4.37Å; I72-Q99 HydrophobicContact CD1-CG 3.84Å; I72-I100 HydrophobicContact CD1-CG1 3.98Å; I72-I100 HydrophobicContact CG1-CG1 4.09Å; I72-I100 HydrophobicContact CG2-CB 4.4Å; I72-I100 HydrophobicContact CG2-CG1 4.33Å; I72-I100 HydrophobicContact CG2-CG2 4.42Å; I72-V103 HydrophobicContact CB-CB 4.31Å; I72-V103 HydrophobicContact CB-CG1 4.04Å; I72-V103 HydrophobicContact CG2-CB 3.59Å; I72-V103 HydrophobicContact CG2-CG1 3.59Å; I72-V103 HydrophobicContact CG2-CG2 4.31Å; I72-K104 HydrophobicContact CG2-CG 4.26Å; I72-K104 WeakPolarHBondContact O-CE 3.5Å; I72-K104 PolarHBondContact O-NZ 2.94Å
73K92.6Very high88.6Confident147 Ų14748.2 Ų48.264%0.63925%0.248SC*.Hα-helixtrans-57.3-42.2179.1-173.5177.2-179.4-177.50111.5D69 L70 Y71 V103 K104D69-K73 WeakPolarHBondContact O-CB 3.13Å; D69-K73 PolarHBondContact O-N 2.89Å; L70-K73 PolarHBondContact O-N 3.02Å; Y71-K73 PolarHBondContact O-N 2.77Å; K73-V103 HydrophobicContact CB-CG1 4.13Å; K73-K104 PolarHBondContact O-NZ 3.5Å
74N92.3Very high90.2Very high93 Ų9340.5 Ų40.550%0.49721%0.212SC..Hα-helixtrans-87.6-25.3-174.5-65.4-25.6000115.1L70 Y71 I72L70-N74 WeakPolarHBondContact CD1-ND2 3.31Å; L70-N74 WeakPolarHBondContact O-CB 3.34Å; L70-N74 PolarHBondContact O-N 3.04Å; L70-N74 PolarHBondContact O-ND2 2.78Å; Y71-N74 PolarHBondContact O-N 3.21Å; I72-N74 VanDerWaalsContact C-N 3.25Å; I72-N74 PolarHBondContact O-N 2.72Å
75G95.4Very high91.7Very high2 Ų238.8 Ų38.82%0.02121%0.207CC..  trans-71.5142.2-179.700000113.2Y71 K104Y71-G75 PolarHBondContact O-N 3.05Å; G75-K104 WeakPolarHBondContact O-CE 3.02Å; G75-K104 PolarHBondContact O-NZ 3.48Å
76Q96.1Very high93.3Very high89 Ų8940.1 Ų40.142%0.41621%0.208SC..SBendtrans-92.9-31.8177.1-69.4167.3-6900112.4K5 P110 M164K5-Q76 HydrophobicContact CB-CG 4.38Å; K5-Q76 WeakPolarHBondContact O-CA 3.28Å; K5-Q76 PolarHBondContact O-N 3.36Å; Q76-P110 WeakPolarHBondContact O-CD 3.18Å; Q76-M164 HydrophobicContact CB-CG 4.39Å; Q76-M164 HydrophobicContact CB-SD 3.55Å; Q76-M164 VanDerWaalsContact CB-SD 3.55Å
77G97.4Very high94.5Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-136.8154.5175.900000112.3K5 V6 V7 P110 M164K5-G77 PolarHBondContact O-N 3Å; K5-G77 VanDerWaalsContact O-N 3.15Å; V6-G77 WeakPolarHBondContact CA-O 3.4Å; V7-G77 PolarHBondContact N-O 3.28Å; G77-P110 WeakPolarHBondContact CA-O 3.37Å; G77-M164 PolarHBondContact N-SD 3.4Å; G77-M164 VanDerWaalsContact N-SD 3.36Å
78F97.9Very high95.4Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-127126.8-173-58.3-81.8000111.5V7 L9 I72 I100 K104 V109 P110 V111 I112V7-F78 HydrophobicContact CB-CD1 3.92Å; V7-F78 HydrophobicContact CB-CE1 3.98Å; V7-F78 HydrophobicContact CG2-CD1 4.46Å; V7-F78 HydrophobicContact CG2-CE1 4.04Å; V7-F78 WeakPolarHBondContact O-CA 3.38Å; L9-F78 HydrophobicContact CD1-CD1 4.08Å; I72-F78 HydrophobicContact CB-CE1 4.25Å; I72-F78 HydrophobicContact CB-CZ 4.45Å; I72-F78 HydrophobicContact CG1-CE1 4.15Å; I72-F78 HydrophobicContact CG2-CE1 4.21Å; I72-F78 HydrophobicContact CG2-CZ 4.02Å; I72-F78 WeakPolarHBondContact O-CZ 3.49Å; F78-I100 HydrophobicContact CB-CD1 3.8Å; F78-I100 HydrophobicContact CD1-CD1 3.97Å; F78-I100 HydrophobicContact CD1-CG1 4.1Å; F78-I100 HydrophobicContact CD2-CD1 4.43Å; F78-I100 HydrophobicContact CD2-CG2 3.69Å; F78-I100 HydrophobicContact CE1-CG1 4.49Å; F78-I100 HydrophobicContact CE2-CG2 3.83Å; F78-I100 HydrophobicContact CG-CD1 3.77Å; F78-I100 HydrophobicContact CG-CG1 4.18Å; F78-I100 HydrophobicContact CG-CG2 4.11Å; F78-I100 HydrophobicContact CZ-CG2 4.36Å; F78-K104 HydrophobicContact CE2-CD 4.47Å; F78-K104 HydrophobicContact CE2-CG 4.25Å; F78-K104 VanDerWaalsContact CZ-CE 3.47Å; F78-V109 HydrophobicContact CD2-CG1 3.6Å; F78-V109 HydrophobicContact CE2-CG1 3.64Å; F78-P110 PolarHBondContact N-O 3.17Å; F78-V111 HydrophobicContact CB-CG2 4.26Å; F78-V111 HydrophobicContact CD2-CG2 4.5Å; F78-V111 CarbonylContact O-C 3.57Å; F78-V111 VanDerWaalsContact O-CA 3.28Å; F78-V111 WeakPolarHBondContact O-CA 3.49Å; F78-I112 PolarHBondContact O-N 3.37Å
79I98.6Very high96Very high1 Ų136.7 Ų36.71%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-102.3115.4170.6-61.2174.8000107.3V6 V7 V8 L9 V81 V114 L156 F157 I160V6-I79 HydrophobicContact CG1-CD1 3.69Å; V6-I79 HydrophobicContact CG1-CG1 3.84Å; V7-I79 PolarHBondContact O-N 3.4Å; V8-I79 HydrophobicContact CG1-CB 4.38Å; V8-I79 HydrophobicContact CG1-CG2 4.39Å; V8-I79 HydrophobicContact CG2-CB 4.48Å; V8-I79 HydrophobicContact CG2-CD1 4.46Å; L9-I79 PolarHBondContact N-O 2.8Å; I79-V81 HydrophobicContact CG2-CG2 3.7Å; I79-V114 HydrophobicContact CG2-CB 4.45Å; I79-V114 HydrophobicContact CG2-CG2 3.66Å; I79-L156 HydrophobicContact CD1-CD1 4.25Å; I79-L156 HydrophobicContact CD1-CD2 4.4Å; I79-L156 HydrophobicContact CD1-CG 4.12Å; I79-L156 HydrophobicContact CG1-CD1 4.41Å; I79-L156 HydrophobicContact CG2-CD1 4.09Å; I79-L156 HydrophobicContact CG2-CD2 4.11Å; I79-L156 HydrophobicContact CG2-CG 4.49Å; I79-F157 HydrophobicContact CD1-CD1 3.88Å; I79-F157 HydrophobicContact CD1-CE1 3.7Å; I79-F157 HydrophobicContact CD1-CZ 4.33Å; I79-I160 HydrophobicContact CD1-CB 4.49Å; I79-I160 HydrophobicContact CD1-CG2 4.22Å; I79-I160 HydrophobicContact CG1-CB 4.34Å; I79-I160 HydrophobicContact CG1-CG1 4.21Å
80L98.2Very high96.4Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-99.3101.2-178.9-76.1-170.4000109.5L9 I93 M96 R97 I100 V111 I112 L113 V114 W138L9-L80 HydrophobicContact CB-CD2 3.91Å; L9-L80 HydrophobicContact CD1-CD2 4.45Å; L80-I93 HydrophobicContact CB-CD1 3.59Å; L80-I93 HydrophobicContact CB-CG1 3.83Å; L80-I93 HydrophobicContact CD1-CG1 4.19Å; L80-I93 HydrophobicContact CD2-CD1 4.15Å; L80-I93 HydrophobicContact CG-CD1 4.31Å; L80-I93 HydrophobicContact CG-CG1 4.4Å; L80-M96 HydrophobicContact CD2-CB 4.35Å; L80-R97 HydrophobicContact CD1-CB 3.75Å; L80-R97 HydrophobicContact CD1-CG 4.33Å; L80-I100 HydrophobicContact CD1-CD1 4.25Å; L80-I100 HydrophobicContact CD2-CD1 3.74Å; L80-I100 HydrophobicContact CG-CD1 4.24Å; L80-V111 HydrophobicContact CD1-CG1 3.71Å; L80-V111 HydrophobicContact CG-CG1 3.98Å; L80-I112 PolarHBondContact N-O 3.47Å; L80-L113 HydrophobicContact CB-CD1 4.49Å; L80-V114 PolarHBondContact O-N 2.92Å; L80-W138 HydrophobicContact CD1-CH2 4.05Å; L80-W138 HydrophobicContact CD1-CZ3 3.68Å
81V98.6Very high96.8Very high0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-101.3127.9-173.2-168.70000111.1V8 L9 G10 V14 K16 L19 I79 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.68Å; L9-V81 PolarHBondContact O-N 3.48Å; G10-V81 VanDerWaalsContact CA-O 3.27Å; G10-V81 WeakPolarHBondContact CA-O 3.27Å; V14-V81 HydrophobicContact CB-CG1 4.3Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.86Å; K16-V81 HydrophobicContact CG-CB 4.22Å; K16-V81 HydrophobicContact CG-CG2 4.32Å; L19-V81 HydrophobicContact CD1-CG1 3.97Å; L19-V81 HydrophobicContact CD1-CG2 4.12Å; I79-V81 HydrophobicContact CG2-CG2 3.7Å; V81-V114 WeakPolarHBondContact CA-O 3.42Å; V81-V114 HydrophobicContact CG1-CG1 4.49Å; V81-V114 HydrophobicContact CG2-CB 4.36Å; V81-N116 HydrophobicContact CG1-CB 3.82Å
82Y98.7Very high96.9Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-121.3169.4162.972.8-83.7000110.2L84 S89 F90 L113 V114 N116 V126 F142Y82-L84 HydrophobicContact CE2-CD2 3.74Å; Y82-S89 WeakPolarHBondContact CB-O 3.08Å; Y82-F90 AromaticContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD2-CB 3.75Å; Y82-F90 AromaticContact CD2-CD2 3.71Å; Y82-F90 HydrophobicContact CD2-CD2 3.71Å; Y82-F90 HydrophobicContact CD2-CG 4.16Å; Y82-F90 AromaticContact CE1-CD2 3.73Å; Y82-F90 HydrophobicContact CE1-CD2 3.73Å; Y82-F90 HydrophobicContact CE1-CE2 4.03Å; Y82-F90 HydrophobicContact CE2-CB 4.2Å; Y82-F90 AromaticContact CE2-CD2 3.57Å; Y82-F90 HydrophobicContact CE2-CD2 3.57Å; Y82-F90 HydrophobicContact CE2-CE2 4.3Å; Y82-F90 HydrophobicContact CE2-CG 4.19Å; Y82-F90 HydrophobicContact CG-CB 4.18Å; Y82-F90 AromaticContact CG-CD2 3.85Å; Y82-F90 HydrophobicContact CG-CD2 3.85Å; Y82-F90 AromaticContact CZ-CD2 3.59Å; Y82-F90 AromaticContact CZ-CE2 3.92Å; Y82-L113 HydrophobicContact CD1-CD1 3.83Å; Y82-L113 HydrophobicContact CE1-CD1 3.88Å; Y82-L113 HydrophobicContact CE1-CD2 4.48Å; Y82-L113 HydrophobicContact CE1-CG 4.07Å; Y82-V114 WeakPolarHBondContact CD1-O 3.42Å; Y82-V114 PolarHBondContact N-O 3.38Å; Y82-N116 PolarHBondContact O-N 3.09Å; Y82-V126 HydrophobicContact CD2-CG2 4.35Å; Y82-V126 HydrophobicContact CE2-CB 3.91Å; Y82-V126 HydrophobicContact CE2-CG1 3.73Å; Y82-V126 HydrophobicContact CE2-CG2 4.02Å; Y82-F142 HydrophobicContact CE1-CE2 4.11Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.09Å
83S98.5Very high97Very high2 Ų235.7 Ų35.71%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-102.5128.1177.3171.20000109.6V85 N86 S89S83-V85 PolarHBondContact O-N 3.06Å; S83-V85 VanDerWaalsContact O-N 3.15Å; S83-V85 VanDerWaalsContact OG-CG2 3.27Å; S83-V85 WeakPolarHBondContact OG-CG2 3.18Å; S83-N86 PolarHBondContact O-N 3.41Å; S83-S89 PolarHBondContact N-OG 3.42Å; S83-S89 PolarHBondContact O-OG 3.05Å
84L98.7Very high97.1Very high2 Ų233 Ų331%0.0116%0.162CC..THydrogen-bonded Turntrans-61.3-23.6178.5-67.9173.4000113Y82 N116 V118 E125 V126 E144Y82-L84 HydrophobicContact CE2-CD2 3.74Å; L84-N116 WeakPolarHBondContact CG-O 3.42Å; L84-N116 PolarHBondContact N-O 3.15Å; L84-V118 HydrophobicContact CD1-CB 3.79Å; L84-V118 HydrophobicContact CD1-CG2 4.14Å; L84-E125 PolarHBondContact O-N 3.16Å; L84-V126 PolarHBondContact O-N 3.19Å; L84-E144 HydrophobicContact CD1-CB 4.4Å; L84-E144 HydrophobicContact CD1-CG 4.21Å; L84-E144 HydrophobicContact CD2-CG 4.47Å; L84-E144 WeakPolarHBondContact CD2-OE1 3.39Å
85V98.4Very high97.2Very high23 Ų2332.5 Ų32.514%0.13916%0.163CC..THydrogen-bonded Turntrans-99.121.4178.2-52.30000113.2S83 K117 L120 E123S83-V85 PolarHBondContact O-N 3.06Å; S83-V85 VanDerWaalsContact O-N 3.15Å; S83-V85 VanDerWaalsContact OG-CG2 3.27Å; S83-V85 WeakPolarHBondContact OG-CG2 3.18Å; V85-K117 HydrophobicContact CG2-CD 4.09Å; V85-L120 HydrophobicContact CG1-CB 3.59Å; V85-L120 HydrophobicContact CG1-CD1 4.2Å; V85-L120 HydrophobicContact CG2-CD1 4.11Å; V85-E123 HydrophobicContact CB-CB 4.13Å; V85-E123 WeakPolarHBondContact CB-O 2.84Å; V85-E123 HydrophobicContact CG1-CB 3.66Å; V85-E123 WeakPolarHBondContact CG1-O 3.28Å
86N98.1Very high97Very high65 Ų6533 Ų3335%0.34817%0.165SC..  trans-151.197.8176.7-179-27.1000110.4S83 Q88 S89 E125S83-N86 PolarHBondContact O-N 3.41Å; N86-Q88 VanDerWaalsContact C-N 3.26Å; N86-Q88 PolarHBondContact O-N 3.22Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.47Å; N86-Q88 PolarHBondContact OD1-N 3.33Å; N86-S89 PolarHBondContact O-N 3.04Å; N86-S89 VanDerWaalsContact O-N 3.15Å; N86-S89 PolarHBondContact O-OG 3.46Å; N86-S89 PolarHBondContact OD1-N 3.02Å; N86-E125 WeakPolarHBondContact CA-OE2 3.44Å
87Q98Very high97Very high49 Ų4932.1 Ų32.123%0.22916%0.158CC..Hα-helixtrans-57.8-36.5179.8-171.467.527.600112.7S89 F90 Q91 E125 V126Q87-S89 VanDerWaalsContact C-N 3.3Å; Q87-S89 PolarHBondContact O-N 3.24Å; Q87-F90 WeakPolarHBondContact O-CB 3.27Å; Q87-F90 PolarHBondContact O-N 3.12Å; Q87-F90 VanDerWaalsContact O-N 3.13Å; Q87-Q91 PolarHBondContact O-N 2.91Å; Q87-Q91 VanDerWaalsContact O-N 3.14Å; Q87-E125 HydrophobicContact CB-CB 4.34Å; Q87-E125 WeakPolarHBondContact CB-OE2 3.5Å; Q87-E125 PolarHBondContact N-OE2 3.09Å; Q87-E125 PolarHBondContact OE1-O 3.26Å; Q87-V126 VanDerWaalsContact OE1-CG2 3.23Å
88Q97.6Very high96.8Very high101 Ų10136.2 Ų36.247%0.47218%0.18SC..Hα-helixtrans-61.9-41.6179.8-173.460.556.100110.8N86 F90 Q91 D92N86-Q88 VanDerWaalsContact C-N 3.26Å; N86-Q88 PolarHBondContact O-N 3.22Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.47Å; N86-Q88 PolarHBondContact OD1-N 3.33Å; Q88-F90 PolarHBondContact O-N 3.09Å; Q88-Q91 WeakPolarHBondContact O-CB 3.26Å; Q88-Q91 PolarHBondContact O-N 3.35Å; Q88-D92 PolarHBondContact NE2-OD1 3.07Å; Q88-D92 PolarHBondContact O-N 3.35Å
89S97.7Very high96.5Very high1 Ų138.2 Ų38.21%0.00719%0.189CC..Hα-helixtrans-62-28.4177.674.80000113.5Y82 S83 N86 Q87Y82-S89 WeakPolarHBondContact CB-O 3.08Å; S83-S89 PolarHBondContact N-OG 3.42Å; S83-S89 PolarHBondContact O-OG 3.05Å; N86-S89 PolarHBondContact O-N 3.04Å; N86-S89 VanDerWaalsContact O-N 3.15Å; N86-S89 PolarHBondContact O-OG 3.46Å; N86-S89 PolarHBondContact OD1-N 3.02Å; Q87-S89 VanDerWaalsContact C-N 3.3Å; Q87-S89 PolarHBondContact O-N 3.24Å
90F98.3Very high96.3Very high20 Ų2038.2 Ų38.29%0.08819%0.189CC..Hα-helixtrans-75.6-31.4173.1-178.1-111.5000112.5Y82 Q87 Q88 I93 V126 E130 L134Y82-F90 AromaticContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD2-CB 3.75Å; Y82-F90 AromaticContact CD2-CD2 3.71Å; Y82-F90 HydrophobicContact CD2-CD2 3.71Å; Y82-F90 HydrophobicContact CD2-CG 4.16Å; Y82-F90 AromaticContact CE1-CD2 3.73Å; Y82-F90 HydrophobicContact CE1-CD2 3.73Å; Y82-F90 HydrophobicContact CE1-CE2 4.03Å; Y82-F90 HydrophobicContact CE2-CB 4.2Å; Y82-F90 AromaticContact CE2-CD2 3.57Å; Y82-F90 HydrophobicContact CE2-CD2 3.57Å; Y82-F90 HydrophobicContact CE2-CE2 4.3Å; Y82-F90 HydrophobicContact CE2-CG 4.19Å; Y82-F90 HydrophobicContact CG-CB 4.18Å; Y82-F90 AromaticContact CG-CD2 3.85Å; Y82-F90 HydrophobicContact CG-CD2 3.85Å; Y82-F90 AromaticContact CZ-CD2 3.59Å; Y82-F90 AromaticContact CZ-CE2 3.92Å; Q87-F90 WeakPolarHBondContact O-CB 3.27Å; Q87-F90 PolarHBondContact O-N 3.12Å; Q87-F90 VanDerWaalsContact O-N 3.13Å; Q88-F90 PolarHBondContact O-N 3.09Å; F90-I93 WeakPolarHBondContact O-CG2 3.3Å; F90-V126 HydrophobicContact CB-CG2 3.76Å; F90-V126 HydrophobicContact CD1-CG1 4.13Å; F90-V126 HydrophobicContact CD1-CG2 4.43Å; F90-V126 HydrophobicContact CD2-CG1 4.1Å; F90-V126 HydrophobicContact CE1-CG1 4.32Å; F90-V126 HydrophobicContact CE2-CG1 4.28Å; F90-V126 HydrophobicContact CG-CG1 4.01Å; F90-V126 HydrophobicContact CG-CG2 4.09Å; F90-V126 HydrophobicContact CZ-CG1 4.39Å; F90-E130 HydrophobicContact CE1-CB 4.25Å; F90-E130 HydrophobicContact CZ-CB 4.2Å; F90-L134 HydrophobicContact CD2-CD2 4.39Å; F90-L134 HydrophobicContact CE1-CD2 4.48Å; F90-L134 HydrophobicContact CE2-CB 4.39Å; F90-L134 HydrophobicContact CE2-CD2 3.53Å; F90-L134 HydrophobicContact CZ-CB 4.03Å; F90-L134 HydrophobicContact CZ-CD2 3.59Å; F90-L134 HydrophobicContact CZ-CG 4.45Å
91Q96.9Very high96.1Very high104 Ų10440.7 Ų40.749%0.48620%0.202SC..Hα-helixtrans-71.7-37.8173.4-63.7178.815.500111.6Q87 Q88 I93 P95Q87-Q91 PolarHBondContact O-N 2.91Å; Q87-Q91 VanDerWaalsContact O-N 3.14Å; Q88-Q91 WeakPolarHBondContact O-CB 3.26Å; Q88-Q91 PolarHBondContact O-N 3.35Å; Q91-I93 PolarHBondContact O-N 2.98Å; Q91-P95 WeakPolarHBondContact O-CD 3.09Å
92D94.7Very high95.8Very high50 Ų5050.5 Ų50.527%0.26724%0.239SC..Hα-helixtrans-67.9-19.3-177.6-61-17.2000113.4S11 Q88 K94 P95 M96S11-D92 VanDerWaalsContact OG-CB 3.22Å; S11-D92 WeakPolarHBondContact OG-CB 3.47Å; S11-D92 PolarHBondContact OG-OD2 2.88Å; Q88-D92 PolarHBondContact NE2-OD1 3.07Å; Q88-D92 PolarHBondContact O-N 3.35Å; D92-K94 VanDerWaalsContact C-N 3.35Å; D92-K94 PolarHBondContact O-N 2.86Å; D92-P95 WeakPolarHBondContact O-CD 3.5Å; D92-M96 HydrophobicContact CB-CE 4.2Å
93I94.7Very high95.5Very high0 Ų052.1 Ų52.10%025%0.249CC..Hα-helixtrans-69.4-31.1-176.5-157.883.1000112.7L80 F90 Q91 M96 R97 L113 L134 W138L80-I93 HydrophobicContact CB-CD1 3.59Å; L80-I93 HydrophobicContact CB-CG1 3.83Å; L80-I93 HydrophobicContact CD1-CG1 4.19Å; L80-I93 HydrophobicContact CD2-CD1 4.15Å; L80-I93 HydrophobicContact CG-CD1 4.31Å; L80-I93 HydrophobicContact CG-CG1 4.4Å; F90-I93 WeakPolarHBondContact O-CG2 3.3Å; Q91-I93 PolarHBondContact O-N 2.98Å; I93-M96 PolarHBondContact O-N 3.39Å; I93-R97 PolarHBondContact O-N 3.19Å; I93-L113 HydrophobicContact CG1-CD1 4.01Å; I93-L113 HydrophobicContact CG2-CD1 4.41Å; I93-L134 HydrophobicContact CG2-CD2 3.98Å; I93-W138 HydrophobicContact CB-CH2 4.45Å; I93-W138 HydrophobicContact CG1-CH2 4.04Å; I93-W138 HydrophobicContact CG1-CZ3 4.49Å; I93-W138 HydrophobicContact CG2-CH2 3.84Å; I93-W138 HydrophobicContact CG2-CZ2 4.45Å
94K94.8Very high95.2Very high92 Ų9253.4 Ų53.440%0.425%0.254SS..Hα-helixtrans-61.9-53.9-179.3-77.7179.3178.3-161.10112.2D92 M96 R97 D98 L134 W138D92-K94 VanDerWaalsContact C-N 3.35Å; D92-K94 PolarHBondContact O-N 2.86Å; K94-M96 PolarHBondContact O-N 2.83Å; K94-R97 WeakPolarHBondContact O-CB 3.46Å; K94-R97 PolarHBondContact O-N 2.87Å; K94-R97 VanDerWaalsContact O-N 3.15Å; K94-D98 PolarHBondContact O-N 3.02Å; K94-L134 HydrophobicContact CG-CD1 4.37Å; K94-W138 HydrophobicContact CG-CZ2 3.89Å
95P93.5Very high94.5Very high81 Ų8164 Ų6453%0.52629%0.294SS..Hα-helixtrans-54.4-37.1173-27.532.6000114.3Q91 D92 D98 Q99Q91-P95 WeakPolarHBondContact O-CD 3.09Å; D92-P95 WeakPolarHBondContact O-CD 3.5Å; P95-D98 PolarHBondContact O-N 3Å; P95-Q99 WeakPolarHBondContact O-CB 3.5Å; P95-Q99 PolarHBondContact O-N 3.05Å
96M92.6Very high93.4Very high12 Ų1270.4 Ų70.46%0.05932%0.317CS..Hα-helixtrans-67.2-42.6178.5-62.2-172.6-154.900111.7G10 L80 D92 I93 K94 D98 Q99 I100G10-M96 VanDerWaalsContact CA-SD 3.6Å; L80-M96 HydrophobicContact CD2-CB 4.35Å; D92-M96 HydrophobicContact CB-CE 4.2Å; I93-M96 PolarHBondContact O-N 3.39Å; K94-M96 PolarHBondContact O-N 2.83Å; M96-D98 VanDerWaalsContact C-N 3.35Å; M96-Q99 PolarHBondContact O-N 3.39Å; M96-I100 WeakPolarHBondContact O-CG1 3.32Å; M96-I100 PolarHBondContact O-N 3Å
97R94.8Very high92Very high71 Ų7176.6 Ų76.627%0.26834%0.344SS..Hα-helixtrans-58.4-47.5172.4178.4-88.9175.4-171.83.9111L80 I93 K94 Q99 I100 I101 W138L80-R97 HydrophobicContact CD1-CB 3.75Å; L80-R97 HydrophobicContact CD1-CG 4.33Å; I93-R97 PolarHBondContact O-N 3.19Å; K94-R97 WeakPolarHBondContact O-CB 3.46Å; K94-R97 PolarHBondContact O-N 2.87Å; K94-R97 VanDerWaalsContact O-N 3.15Å; R97-Q99 VanDerWaalsContact C-N 3.26Å; R97-Q99 PolarHBondContact O-N 3Å; R97-I100 WeakPolarHBondContact O-CB 3.34Å; R97-I100 PolarHBondContact O-N 3.34Å; R97-I101 VanDerWaalsContact CZ-CG1 3.49Å; R97-I101 WeakPolarHBondContact O-CG1 3.28Å; R97-I101 PolarHBondContact O-N 3.37Å; R97-W138 HydrophobicContact CB-CH2 3.73Å; R97-W138 HydrophobicContact CB-CZ2 3.83Å; R97-W138 HydrophobicContact CB-CZ3 4.23Å; R97-W138 HydrophobicContact CG-CD2 4.14Å; R97-W138 HydrophobicContact CG-CE3 4.29Å; R97-W138 HydrophobicContact CG-CH2 4.12Å; R97-W138 HydrophobicContact CG-CZ2 4.02Å; R97-W138 HydrophobicContact CG-CZ3 4.28Å
98D93.6Very high91.3Very high86 Ų8680.4 Ų80.446%0.4636%0.36SS..Hα-helixtrans-63.9-35.8-177.4-69-21.8000111.9K94 P95 M96 I101 R102K94-D98 PolarHBondContact O-N 3.02Å; P95-D98 PolarHBondContact O-N 3Å; M96-D98 VanDerWaalsContact C-N 3.35Å; D98-I101 PolarHBondContact O-N 3.48Å; D98-R102 VanDerWaalsContact O-CB 3.3Å; D98-R102 WeakPolarHBondContact O-CB 3.37Å; D98-R102 PolarHBondContact O-N 3.07Å
99Q92.5Very high91Very high43 Ų4376.8 Ų76.820%0.20134%0.344CS..Hα-helixtrans-63.2-42.3171.9-169.4175.8-0.700112D69 I72 P95 M96 R97 R102 V103D69-Q99 PolarHBondContact OD1-NE2 3.15Å; I72-Q99 HydrophobicContact CD1-CB 4.37Å; I72-Q99 HydrophobicContact CD1-CG 3.84Å; P95-Q99 WeakPolarHBondContact O-CB 3.5Å; P95-Q99 PolarHBondContact O-N 3.05Å; M96-Q99 PolarHBondContact O-N 3.39Å; R97-Q99 VanDerWaalsContact C-N 3.26Å; R97-Q99 PolarHBondContact O-N 3Å; Q99-R102 PolarHBondContact O-N 3.25Å; Q99-V103 HydrophobicContact CG-CG2 4.47Å; Q99-V103 WeakPolarHBondContact O-CG2 3.34Å; Q99-V103 PolarHBondContact O-N 3.15Å
100I94Very high91Very high0 Ų077.4 Ų77.40%035%0.348CS..Hα-helixtrans-56.4-53.4175.5-69.4161.5000110.7L9 I72 F78 L80 M96 R97 R102 V103 K104 V109L9-I100 HydrophobicContact CD1-CD1 3.96Å; L9-I100 HydrophobicContact CD1-CG1 4.18Å; I72-I100 HydrophobicContact CD1-CG1 3.98Å; I72-I100 HydrophobicContact CG1-CG1 4.09Å; I72-I100 HydrophobicContact CG2-CB 4.4Å; I72-I100 HydrophobicContact CG2-CG1 4.33Å; I72-I100 HydrophobicContact CG2-CG2 4.42Å; F78-I100 HydrophobicContact CB-CD1 3.8Å; F78-I100 HydrophobicContact CD1-CD1 3.97Å; F78-I100 HydrophobicContact CD1-CG1 4.1Å; F78-I100 HydrophobicContact CD2-CD1 4.43Å; F78-I100 HydrophobicContact CD2-CG2 3.69Å; F78-I100 HydrophobicContact CE1-CG1 4.49Å; F78-I100 HydrophobicContact CE2-CG2 3.83Å; F78-I100 HydrophobicContact CG-CD1 3.77Å; F78-I100 HydrophobicContact CG-CG1 4.18Å; F78-I100 HydrophobicContact CG-CG2 4.11Å; F78-I100 HydrophobicContact CZ-CG2 4.36Å; L80-I100 HydrophobicContact CD1-CD1 4.25Å; L80-I100 HydrophobicContact CD2-CD1 3.74Å; L80-I100 HydrophobicContact CG-CD1 4.24Å; M96-I100 WeakPolarHBondContact O-CG1 3.32Å; M96-I100 PolarHBondContact O-N 3Å; R97-I100 WeakPolarHBondContact O-CB 3.34Å; R97-I100 PolarHBondContact O-N 3.34Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.06Å; I100-V103 PolarHBondContact O-N 2.73Å; I100-K104 HydrophobicContact CG2-CG 4.28Å; I100-K104 WeakPolarHBondContact O-CB 3.15Å; I100-K104 WeakPolarHBondContact O-CG 3.04Å; I100-K104 PolarHBondContact O-N 2.99Å; I100-V109 HydrophobicContact CG2-CG1 3.72Å
101I93.3Very high90.9Very high53 Ų5377 Ų7727%0.27235%0.347SS..Hα-helixtrans-60.9-44.8-177.7-60.3-51.1000110.9R97 D98 V103 K104 R105 V109R97-I101 VanDerWaalsContact CZ-CG1 3.49Å; R97-I101 WeakPolarHBondContact O-CG1 3.28Å; R97-I101 PolarHBondContact O-N 3.37Å; D98-I101 PolarHBondContact O-N 3.48Å; I101-V103 PolarHBondContact O-N 3.06Å; I101-K104 PolarHBondContact O-N 3.23Å; I101-R105 PolarHBondContact O-N 2.92Å; I101-V109 HydrophobicContact CD1-CB 4.13Å; I101-V109 HydrophobicContact CD1-CG2 3.93Å
102R92.2Very high91Very high205 Ų20572 Ų7277%0.77432%0.324SS*.Hα-helixtrans-59.1-44178.5179.4-177.4171.4-165.6-3.9112.7D98 Q99 I100D98-R102 VanDerWaalsContact O-CB 3.3Å; D98-R102 WeakPolarHBondContact O-CB 3.37Å; D98-R102 PolarHBondContact O-N 3.07Å; Q99-R102 PolarHBondContact O-N 3.25Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.06Å
103V92.9Very high91.2Very high35 Ų3569.6 Ų69.621%0.21231%0.311CS..Hα-helixtrans-75.6-39.4-177.9172.10000111.1D69 I72 K73 Q99 I100 I101D69-V103 HydrophobicContact CB-CG2 4.39Å; I72-V103 HydrophobicContact CB-CB 4.31Å; I72-V103 HydrophobicContact CB-CG1 4.04Å; I72-V103 HydrophobicContact CG2-CB 3.59Å; I72-V103 HydrophobicContact CG2-CG1 3.59Å; I72-V103 HydrophobicContact CG2-CG2 4.31Å; K73-V103 HydrophobicContact CB-CG1 4.13Å; Q99-V103 HydrophobicContact CG-CG2 4.47Å; Q99-V103 WeakPolarHBondContact O-CG2 3.34Å; Q99-V103 PolarHBondContact O-N 3.15Å; I100-V103 PolarHBondContact O-N 2.73Å; I101-V103 PolarHBondContact O-N 3.06Å
104K91.9Very high91.4Very high28 Ų2869.6 Ų69.612%0.12231%0.311CS..Hα-helixtrans-72.2-36.9-177.1-79.5-67.6-179-158.10114.1I72 K73 G75 F78 I100 I101 Y106 V109I72-K104 HydrophobicContact CG2-CG 4.26Å; I72-K104 WeakPolarHBondContact O-CE 3.5Å; I72-K104 PolarHBondContact O-NZ 2.94Å; K73-K104 PolarHBondContact O-NZ 3.5Å; G75-K104 WeakPolarHBondContact O-CE 3.02Å; G75-K104 PolarHBondContact O-NZ 3.48Å; F78-K104 HydrophobicContact CE2-CD 4.47Å; F78-K104 HydrophobicContact CE2-CG 4.25Å; F78-K104 VanDerWaalsContact CZ-CE 3.47Å; I100-K104 HydrophobicContact CG2-CG 4.28Å; I100-K104 WeakPolarHBondContact O-CB 3.15Å; I100-K104 WeakPolarHBondContact O-CG 3.04Å; I100-K104 PolarHBondContact O-N 2.99Å; I101-K104 PolarHBondContact O-N 3.23Å; K104-Y106 HydrophobicContact CB-CD2 3.92Å; K104-Y106 HydrophobicContact CD-CD2 3.89Å; K104-Y106 HydrophobicContact CD-CE2 3.88Å; K104-Y106 HydrophobicContact CG-CD2 4.45Å; K104-Y106 WeakPolarHBondContact O-CD2 3.31Å; K104-Y106 PolarHBondContact O-N 3.37Å; K104-Y106 VanDerWaalsContact O-N 3.12Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.1Å; K104-V109 HydrophobicContact CG-CG2 4.01Å
105R84.2Confident91.6Very high225 Ų22565.2 Ų65.285%0.84929%0.292SS*.  trans57.120.7-178.4-49.7-179.9178.9-171.2-1.3114.2I101I101-R105 PolarHBondContact O-N 2.92Å
106Y75.3Confident91.9Very high158 Ų15861.5 Ų61.562%0.6227%0.268SS*.  trans-102.3150.5175.7-59.2-54.6000110.4K104K104-Y106 HydrophobicContact CB-CD2 3.92Å; K104-Y106 HydrophobicContact CD-CD2 3.89Å; K104-Y106 HydrophobicContact CD-CE2 3.88Å; K104-Y106 HydrophobicContact CG-CD2 4.45Å; K104-Y106 WeakPolarHBondContact O-CD2 3.31Å; K104-Y106 PolarHBondContact O-N 3.37Å; K104-Y106 VanDerWaalsContact O-N 3.12Å
107E68.1Low92.1Very high194 Ų19463.7 Ų63.791%0.90728%0.277SS*.SBendtrans-69.3-36.3176.8-68.6-171.5166.200112.5
108K83.4Confident92.3Very high130 Ų13061.9 Ų61.957%0.56527%0.274SS*.  trans-122.6108.9178.1-65.2175.8-172.8160.40109.8D171K108-D171 IonicContact NZ-OD1 2.73Å; K108-D171 PolarHBondContact NZ-OD1 2.88Å; K108-D171 VanDerWaalsContact NZ-OD1 3.09Å; K108-D171 IonicContact NZ-OD2 3.09Å; K108-D171 PolarHBondContact NZ-OD2 3.04Å
109V92.6Very high92.5Very high24 Ų2460.7 Ų60.715%0.14527%0.268CS..  trans-106.5125.9173.9-177.50000108.4F78 I100 I101 K104 V111F78-V109 HydrophobicContact CD2-CG1 3.6Å; F78-V109 HydrophobicContact CE2-CG1 3.64Å; I100-V109 HydrophobicContact CG2-CG1 3.72Å; I101-V109 HydrophobicContact CD1-CB 4.13Å; I101-V109 HydrophobicContact CD1-CG2 3.93Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.1Å; K104-V109 HydrophobicContact CG-CG2 4.01Å; V109-V111 HydrophobicContact CB-CG2 4.4Å; V109-V111 HydrophobicContact CG1-CG2 4.12Å; V109-V111 PolarHBondContact O-N 2.91Å; V109-V111 VanDerWaalsContact O-N 3.07Å
110P96.6Very high92.7Very high14 Ų1460.8 Ų60.89%0.09127%0.269CS..  trans-61.5110.9175.4-23.734.5000111Q76 G77 F78 I160 Q163 M164 A167Q76-P110 WeakPolarHBondContact O-CD 3.18Å; G77-P110 WeakPolarHBondContact CA-O 3.37Å; F78-P110 PolarHBondContact N-O 3.17Å; P110-I160 HydrophobicContact CB-CD1 4.4Å; P110-Q163 HydrophobicContact CB-CB 4Å; P110-M164 HydrophobicContact CB-CG 3.72Å; P110-M164 HydrophobicContact CG-CB 4.35Å; P110-M164 HydrophobicContact CG-CG 3.84Å; P110-A167 HydrophobicContact CG-CB 3.62Å
111V97.3Very high92.9Very high11 Ų1165.9 Ų65.97%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-134.4142.4-179.8177.60000108.3F78 L80 V109 C140 P141F78-V111 HydrophobicContact CB-CG2 4.26Å; F78-V111 HydrophobicContact CD2-CG2 4.5Å; F78-V111 CarbonylContact O-C 3.57Å; F78-V111 VanDerWaalsContact O-CA 3.28Å; F78-V111 WeakPolarHBondContact O-CA 3.49Å; L80-V111 HydrophobicContact CD1-CG1 3.71Å; L80-V111 HydrophobicContact CG-CG1 3.98Å; V109-V111 HydrophobicContact CB-CG2 4.4Å; V109-V111 HydrophobicContact CG1-CG2 4.12Å; V109-V111 PolarHBondContact O-N 2.91Å; V109-V111 VanDerWaalsContact O-N 3.07Å; V111-C140 HydrophobicContact CB-CB 4.5Å; V111-C140 WeakPolarHBondContact O-CB 3.3Å; V111-P141 WeakPolarHBondContact O-CD 3.47Å
112I98.6Very high93.1Very high0 Ų069 Ų690%032%0.32CS..EExtended strand (participates in β ladder)trans-126.4132.7165.6-61.8176.8000108.5F78 L80 V114 P141 M143 L156 E159 I160 Q163F78-I112 PolarHBondContact O-N 3.37Å; L80-I112 PolarHBondContact N-O 3.47Å; I112-V114 HydrophobicContact CG2-CG2 3.89Å; I112-P141 HydrophobicContact CG1-CB 4.3Å; I112-P141 HydrophobicContact CG1-CG 4.27Å; I112-P141 HydrophobicContact CG2-CB 4.38Å; I112-M143 HydrophobicContact CG2-CG 4.35Å; I112-M143 HydrophobicContact CG2-SD 4.29Å; I112-L156 HydrophobicContact CB-CD1 4.4Å; I112-L156 HydrophobicContact CD1-CD1 4.28Å; I112-L156 HydrophobicContact CG2-CD1 3.84Å; I112-E159 HydrophobicContact CD1-CB 3.78Å; I112-E159 HydrophobicContact CD1-CG 3.58Å; I112-I160 HydrophobicContact CD1-CB 3.78Å; I112-I160 HydrophobicContact CD1-CD1 4.06Å; I112-I160 VanDerWaalsContact CD1-N 3.31Å; I112-I160 HydrophobicContact CG1-CD1 3.95Å; I112-Q163 HydrophobicContact CD1-CG 4.37Å; I112-Q163 HydrophobicContact CG1-CG 4.26Å
113L98.8Very high93.4Very high0 Ų064.7 Ų64.70%031%0.308CS..EExtended strand (participates in β ladder)trans-88.3130.1171.2179.563.6000109.9L80 Y82 I93 G131 L134 A135 W138 P141 F142 M143L80-L113 HydrophobicContact CB-CD1 4.49Å; Y82-L113 HydrophobicContact CD1-CD1 3.83Å; Y82-L113 HydrophobicContact CE1-CD1 3.88Å; Y82-L113 HydrophobicContact CE1-CD2 4.48Å; Y82-L113 HydrophobicContact CE1-CG 4.07Å; I93-L113 HydrophobicContact CG1-CD1 4.01Å; I93-L113 HydrophobicContact CG2-CD1 4.41Å; L113-G131 WeakPolarHBondContact CD2-O 3.13Å; L113-L134 HydrophobicContact CD2-CB 4.07Å; L113-L134 HydrophobicContact CD2-CD2 3.98Å; L113-L134 HydrophobicContact CD2-CG 4.05Å; L113-A135 HydrophobicContact CB-CB 4.41Å; L113-A135 HydrophobicContact CD2-CB 4.11Å; L113-W138 HydrophobicContact CB-CE3 4.49Å; L113-W138 HydrophobicContact CB-CZ3 4.35Å; L113-W138 HydrophobicContact CD1-CH2 4.42Å; L113-W138 HydrophobicContact CD1-CZ3 3.88Å; L113-W138 HydrophobicContact CD2-CZ3 4.42Å; L113-W138 HydrophobicContact CG-CZ3 4.44Å; L113-P141 PolarHBondContact N-O 3.01Å; L113-F142 HydrophobicContact CB-CD2 4.27Å; L113-F142 HydrophobicContact CD2-CD2 4.06Å; L113-F142 HydrophobicContact CG-CD2 3.96Å; L113-F142 HydrophobicContact CG-CE2 4.43Å; L113-F142 WeakPolarHBondContact O-CA 3.04Å; L113-F142 WeakPolarHBondContact O-CD2 3.4Å; L113-M143 PolarHBondContact O-N 3.41Å
114V98.9Very high93.7Very high0 Ų065.7 Ų65.70%031%0.308CS..EExtended strand (participates in β ladder)trans-128.7118.2-174.3-177.20000111.7L19 I79 L80 V81 Y82 I112 M143 T145 L156L19-V114 HydrophobicContact CD1-CG1 4.39Å; I79-V114 HydrophobicContact CG2-CB 4.45Å; I79-V114 HydrophobicContact CG2-CG2 3.66Å; L80-V114 PolarHBondContact O-N 2.92Å; V81-V114 WeakPolarHBondContact CA-O 3.42Å; V81-V114 HydrophobicContact CG1-CG1 4.49Å; V81-V114 HydrophobicContact CG2-CB 4.36Å; Y82-V114 WeakPolarHBondContact CD1-O 3.42Å; Y82-V114 PolarHBondContact N-O 3.38Å; I112-V114 HydrophobicContact CG2-CG2 3.89Å; V114-M143 VanDerWaalsContact CA-O 3.3Å; V114-M143 WeakPolarHBondContact CA-O 3.2Å; V114-T145 HydrophobicContact CG1-CG2 3.74Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.24Å; V114-L156 HydrophobicContact CG1-CD2 4.25Å; V114-L156 HydrophobicContact CG2-CD1 3.42Å; V114-L156 VanDerWaalsContact CG2-CD1 3.42Å; V114-L156 HydrophobicContact CG2-CD2 3.98Å; V114-L156 HydrophobicContact CG2-CG 4.35Å
115G98.8Very high94Very high0 Ų069.5 Ų69.50%033%0.326CS..EExtended strand (participates in β ladder)trans-90.1102.7166.100000110.3M143 E144 T145G115-M143 PolarHBondContact N-O 3.4Å; G115-E144 CarbonylContact O-C 3.48Å; G115-E144 VanDerWaalsContact O-CA 3.23Å; G115-E144 WeakPolarHBondContact O-CA 3.25Å; G115-T145 PolarHBondContact O-N 3.28Å
116N98.8Very high94.7Very high3 Ų358.8 Ų58.82%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-89.6163.1-179.6-171.231.7000112V14 L19 V81 Y82 L84 T145 A147V14-N116 PolarHBondContact O-ND2 3.1Å; L19-N116 HydrophobicContact CD1-CB 4.28Å; V81-N116 HydrophobicContact CG1-CB 3.82Å; Y82-N116 PolarHBondContact O-N 3.09Å; L84-N116 WeakPolarHBondContact CG-O 3.42Å; L84-N116 PolarHBondContact N-O 3.15Å; N116-T145 CarbonylContact C-O 3.52Å; N116-T145 WeakPolarHBondContact CA-O 3.41Å; N116-T145 PolarHBondContact OD1-O 2.84Å; N116-T145 PolarHBondContact OD1-OG1 3.08Å; N116-A147 PolarHBondContact OD1-N 2.98Å
117K98.3Very high95.8Very high57 Ų5753 Ų5325%0.24827%0.268CS..  trans72.538.5-179.2-44.6-176.2-168.6172.90113.8G13 V85 D119 L120 T145G13-K117 WeakPolarHBondContact O-CE 3.25Å; G13-K117 PolarHBondContact O-NZ 3.1Å; V85-K117 HydrophobicContact CG2-CD 4.09Å; K117-D119 WeakPolarHBondContact CA-OD1 3.33Å; K117-D119 PolarHBondContact O-N 3.12Å; K117-D119 VanDerWaalsContact O-N 3.1Å; K117-L120 HydrophobicContact CB-CD1 4.14Å; K117-L120 HydrophobicContact CB-CG 4.39Å; K117-L120 HydrophobicContact CD-CD1 4.15Å; K117-L120 PolarHBondContact O-N 3.43Å; K117-T145 PolarHBondContact N-O 3.22Å
118V98.5Very high97.2Very high34 Ų3446 Ų4621%0.20624%0.244CC..G310 helixtrans-60.7-17.3174.372.80000113L84 L120 E144 T145 T151L84-V118 HydrophobicContact CD1-CB 3.79Å; L84-V118 HydrophobicContact CD1-CG2 4.14Å; V118-L120 PolarHBondContact O-N 3.28Å; V118-E144 HydrophobicContact CB-CB 4.27Å; V118-E144 HydrophobicContact CG2-CB 4.19Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.48Å; V118-T145 WeakPolarHBondContact CG1-O 3.33Å; V118-T145 PolarHBondContact N-O 3.35Å; V118-T151 HydrophobicContact CG1-CG2 4.21Å
119D98.1Very high97.9Very high61 Ų6143.7 Ų43.733%0.32624%0.244SC..G310 helixtrans-67.1-14.6171.958.3-75.6000114.3K117 S146 K148K117-D119 WeakPolarHBondContact CA-OD1 3.33Å; K117-D119 PolarHBondContact O-N 3.12Å; K117-D119 VanDerWaalsContact O-N 3.1Å; D119-S146 VanDerWaalsContact CG-OG 3.25Å; D119-S146 WeakPolarHBondContact OD1-CB 3.45Å; D119-S146 PolarHBondContact OD1-OG 2.65Å; D119-K148 VanDerWaalsContact OD2-CD 3.32Å; D119-K148 WeakPolarHBondContact OD2-CD 3.37Å
120L97.4Very high98.2Very high45 Ų4546.2 Ų46.224%0.23625%0.254CS..G310 helixtrans-101.945.2179.8-58.5-179.8000112.1V85 K117 V118 S122 E123 R124V85-L120 HydrophobicContact CG1-CB 3.59Å; V85-L120 HydrophobicContact CG1-CD1 4.2Å; V85-L120 HydrophobicContact CG2-CD1 4.11Å; K117-L120 HydrophobicContact CB-CD1 4.14Å; K117-L120 HydrophobicContact CB-CG 4.39Å; K117-L120 HydrophobicContact CD-CD1 4.15Å; K117-L120 PolarHBondContact O-N 3.43Å; V118-L120 PolarHBondContact O-N 3.28Å; L120-S122 PolarHBondContact O-N 3.23Å; L120-S122 VanDerWaalsContact O-N 3.15Å; L120-E123 HydrophobicContact CB-CB 4.46Å; L120-E123 PolarHBondContact O-N 3.33Å; L120-R124 PolarHBondContact O-N 3.01Å
121E97Very high98.3Very high107 Ų10745.5 Ų45.550%0.525%0.25SS..G310 helixtrans-56.3-33.9-173.9-169.260.3-149.200113.7E123 R124E121-E123 PolarHBondContact O-N 2.9Å; E121-R124 VanDerWaalsContact O-CB 3.29Å; E121-R124 WeakPolarHBondContact O-CB 3.33Å; E121-R124 PolarHBondContact O-N 3.37Å; E121-R124 WeakPolarHBondContact OE1-CD 3.42Å; E121-R124 IonicContact OE1-CZ 3.9Å; E121-R124 IonicContact OE1-NE 3.59Å; E121-R124 PolarHBondContact OE1-NE 3.41Å; E121-R124 IonicContact OE1-NH2 3.67Å; E121-R124 IonicContact OE2-CZ 2.75Å; E121-R124 VanDerWaalsContact OE2-CZ 3.3Å; E121-R124 IonicContact OE2-NE 3.53Å; E121-R124 PolarHBondContact OE2-NE 3.1Å; E121-R124 IonicContact OE2-NH2 3.64Å; E121-R124 PolarHBondContact OE2-NH2 3.4Å
122S97.8Very high98.3Very high119 Ų11948.9 Ų48.983%0.83227%0.265SS*.G310 helixtrans-68.6-18.2177.554.10000114.4L120L120-S122 PolarHBondContact O-N 3.23Å; L120-S122 VanDerWaalsContact O-N 3.15Å
123E98.1Very high98.3Very high113 Ų11351.4 Ų51.453%0.52829%0.286SS..G310 helixtrans-1078.7-179.9-64.5174.5-125.600111.4V85 L120 E121 E125V85-E123 HydrophobicContact CB-CB 4.13Å; V85-E123 WeakPolarHBondContact CB-O 2.84Å; V85-E123 HydrophobicContact CG1-CB 3.66Å; V85-E123 WeakPolarHBondContact CG1-O 3.28Å; L120-E123 HydrophobicContact CB-CB 4.46Å; L120-E123 PolarHBondContact O-N 3.33Å; E121-E123 PolarHBondContact O-N 2.9Å; E123-E125 PolarHBondContact O-N 2.91Å
124R98.6Very high98.3Very high56 Ų5651.7 Ų51.721%0.21129%0.287CS..  trans-60.5125.7-176-179.5-177.1-74.4-92.57.2111L120 E121 V126 E144L120-R124 PolarHBondContact O-N 3.01Å; E121-R124 VanDerWaalsContact O-CB 3.29Å; E121-R124 WeakPolarHBondContact O-CB 3.33Å; E121-R124 PolarHBondContact O-N 3.37Å; E121-R124 WeakPolarHBondContact OE1-CD 3.42Å; E121-R124 IonicContact OE1-CZ 3.9Å; E121-R124 IonicContact OE1-NE 3.59Å; E121-R124 PolarHBondContact OE1-NE 3.41Å; E121-R124 IonicContact OE1-NH2 3.67Å; E121-R124 IonicContact OE2-CZ 2.75Å; E121-R124 VanDerWaalsContact OE2-CZ 3.3Å; E121-R124 IonicContact OE2-NE 3.53Å; E121-R124 PolarHBondContact OE2-NE 3.1Å; E121-R124 IonicContact OE2-NH2 3.64Å; E121-R124 PolarHBondContact OE2-NH2 3.4Å; R124-V126 WeakPolarHBondContact CD-O 3.44Å; R124-V126 WeakPolarHBondContact CG-O 3.24Å; R124-V126 PolarHBondContact NH1-O 3.38Å; R124-E144 IonicContact CZ-OE1 3.02Å; R124-E144 IonicContact CZ-OE2 3.23Å; R124-E144 IonicContact NH1-OE1 3.46Å; R124-E144 PolarHBondContact NH1-OE1 2.91Å; R124-E144 IonicContact NH1-OE2 2.89Å; R124-E144 IonicContact NH2-OE1 3.04Å; R124-E144 IonicContact NH2-OE2 2.72Å; R124-E144 PolarHBondContact NH2-OE2 2.74Å
125E98.5Very high98.3Very high108 Ų10851.7 Ų51.751%0.50529%0.288SS..  trans-104.7-32.6172.9-62.7-175.1-176.800111.7L84 N86 Q87 E123L84-E125 PolarHBondContact O-N 3.16Å; N86-E125 WeakPolarHBondContact CA-OE2 3.44Å; Q87-E125 HydrophobicContact CB-CB 4.34Å; Q87-E125 WeakPolarHBondContact CB-OE2 3.5Å; Q87-E125 PolarHBondContact N-OE2 3.09Å; Q87-E125 PolarHBondContact OE1-O 3.26Å; E123-E125 PolarHBondContact O-N 2.91Å
126V98.5Very high98.2Very high0 Ų057.8 Ų57.80%032%0.316CS..SBendtrans-107.1121.9-179.7-173.40000110.2Y82 L84 Q87 F90 R124 E130Y82-V126 HydrophobicContact CD2-CG2 4.35Å; Y82-V126 HydrophobicContact CE2-CB 3.91Å; Y82-V126 HydrophobicContact CE2-CG1 3.73Å; Y82-V126 HydrophobicContact CE2-CG2 4.02Å; L84-V126 PolarHBondContact O-N 3.19Å; Q87-V126 VanDerWaalsContact OE1-CG2 3.23Å; F90-V126 HydrophobicContact CB-CG2 3.76Å; F90-V126 HydrophobicContact CD1-CG1 4.13Å; F90-V126 HydrophobicContact CD1-CG2 4.43Å; F90-V126 HydrophobicContact CD2-CG1 4.1Å; F90-V126 HydrophobicContact CE1-CG1 4.32Å; F90-V126 HydrophobicContact CE2-CG1 4.28Å; F90-V126 HydrophobicContact CG-CG1 4.01Å; F90-V126 HydrophobicContact CG-CG2 4.09Å; F90-V126 HydrophobicContact CZ-CG1 4.39Å; R124-V126 WeakPolarHBondContact CD-O 3.44Å; R124-V126 WeakPolarHBondContact CG-O 3.24Å; R124-V126 PolarHBondContact NH1-O 3.38Å; V126-E130 HydrophobicContact CG1-CB 4.01Å
127S98.4Very high98.1Very high36 Ų3664.1 Ų64.125%0.25235%0.346SS..  trans-72.6152.4176.667.20000112.4S129 E130 G131S127-S129 PolarHBondContact O-N 2.97Å; S127-S129 PolarHBondContact OG-OG 3.35Å; S127-E130 WeakPolarHBondContact CB-OE2 3.43Å; S127-E130 PolarHBondContact N-OE2 3.24Å; S127-E130 PolarHBondContact O-N 3.45Å; S127-E130 VanDerWaalsContact O-N 3.1Å; S127-E130 VanDerWaalsContact OG-CG 3.27Å; S127-E130 WeakPolarHBondContact OG-CG 3.32Å; S127-E130 PolarHBondContact OG-N 3.48Å; S127-E130 PolarHBondContact OG-OE2 3.36Å; S127-G131 PolarHBondContact O-N 3.08Å
128A97.8Very high98Very high47 Ų4763.3 Ų63.339%0.38834%0.341SS..Hα-helixtrans-57.9-33.5172.900000112E130 G131 Q132 E144A128-E130 PolarHBondContact O-N 2.91Å; A128-G131 PolarHBondContact O-N 3.03Å; A128-Q132 VanDerWaalsContact O-CB 3.26Å; A128-Q132 WeakPolarHBondContact O-CB 3.34Å; A128-Q132 PolarHBondContact O-N 3.16Å; A128-E144 WeakPolarHBondContact CA-OE1 2.93Å
129S98.4Very high97.9Very high83 Ų8365.2 Ų65.258%0.5837%0.368SS*.Hα-helixtrans-64.9-35.6175.943.10000113.5S127 A133S127-S129 PolarHBondContact O-N 2.97Å; S127-S129 PolarHBondContact OG-OG 3.35Å; S129-A133 VanDerWaalsContact O-CB 3.23Å; S129-A133 WeakPolarHBondContact O-CB 3.41Å; S129-A133 PolarHBondContact O-N 2.9Å
130E98.4Very high97.8Very high76 Ų7663.4 Ų63.436%0.35536%0.36SS..Hα-helixtrans-68.7-43.8176.3-75.7164.9102.400111.4F90 V126 S127 A128 L134F90-E130 HydrophobicContact CE1-CB 4.25Å; F90-E130 HydrophobicContact CZ-CB 4.2Å; V126-E130 HydrophobicContact CG1-CB 4.01Å; S127-E130 WeakPolarHBondContact CB-OE2 3.43Å; S127-E130 PolarHBondContact N-OE2 3.24Å; S127-E130 PolarHBondContact O-N 3.45Å; S127-E130 VanDerWaalsContact O-N 3.1Å; S127-E130 VanDerWaalsContact OG-CG 3.27Å; S127-E130 WeakPolarHBondContact OG-CG 3.32Å; S127-E130 PolarHBondContact OG-N 3.48Å; S127-E130 PolarHBondContact OG-OE2 3.36Å; A128-E130 PolarHBondContact O-N 2.91Å; E130-L134 WeakPolarHBondContact O-CB 3.47Å; E130-L134 PolarHBondContact O-N 2.95Å; E130-L134 VanDerWaalsContact O-N 3.08Å
131G98.4Very high97.8Very high0 Ų062.8 Ų62.80%036%0.358CS..Hα-helixtrans-61.8-46.2175.100000112.1L113 S127 A128 L134 A135L113-G131 WeakPolarHBondContact CD2-O 3.13Å; S127-G131 PolarHBondContact O-N 3.08Å; A128-G131 PolarHBondContact O-N 3.03Å; G131-L134 PolarHBondContact O-N 3.18Å; G131-A135 PolarHBondContact O-N 2.86Å
132Q98.6Very high97.9Very high81 Ų8159.4 Ų59.438%0.37934%0.342SS..Hα-helixtrans-61.4-47.7177.5-17760.736.900112.1A128 L134 A135 E136 F142A128-Q132 VanDerWaalsContact O-CB 3.26Å; A128-Q132 WeakPolarHBondContact O-CB 3.34Å; A128-Q132 PolarHBondContact O-N 3.16Å; Q132-L134 VanDerWaalsContact C-N 3.29Å; Q132-L134 PolarHBondContact O-N 2.94Å; Q132-A135 PolarHBondContact O-N 3.15Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.2Å; Q132-E136 PolarHBondContact NE2-OE1 3.2Å; Q132-E136 WeakPolarHBondContact O-CG 3.41Å; Q132-E136 PolarHBondContact O-N 3.29Å; Q132-F142 HydrophobicContact CB-CD1 4.19Å
133A98.6Very high98Very high54 Ų5454.7 Ų54.745%0.44631%0.307SS..Hα-helixtrans-61.2-38.7178.900000112.1S129 E137S129-A133 VanDerWaalsContact O-CB 3.23Å; S129-A133 WeakPolarHBondContact O-CB 3.41Å; S129-A133 PolarHBondContact O-N 2.9Å; A133-E137 PolarHBondContact O-N 2.85Å
134L98.4Very high98Very high5 Ų551.1 Ų51.13%0.02629%0.29CS..Hα-helixtrans-68.1-40176.5-177.559.9000112.3F90 I93 K94 L113 E130 G131 Q132 E137 W138F90-L134 HydrophobicContact CD2-CD2 4.39Å; F90-L134 HydrophobicContact CE1-CD2 4.48Å; F90-L134 HydrophobicContact CE2-CB 4.39Å; F90-L134 HydrophobicContact CE2-CD2 3.53Å; F90-L134 HydrophobicContact CZ-CB 4.03Å; F90-L134 HydrophobicContact CZ-CD2 3.59Å; F90-L134 HydrophobicContact CZ-CG 4.45Å; I93-L134 HydrophobicContact CG2-CD2 3.98Å; K94-L134 HydrophobicContact CG-CD1 4.37Å; L113-L134 HydrophobicContact CD2-CB 4.07Å; L113-L134 HydrophobicContact CD2-CD2 3.98Å; L113-L134 HydrophobicContact CD2-CG 4.05Å; E130-L134 WeakPolarHBondContact O-CB 3.47Å; E130-L134 PolarHBondContact O-N 2.95Å; E130-L134 VanDerWaalsContact O-N 3.08Å; G131-L134 PolarHBondContact O-N 3.18Å; Q132-L134 VanDerWaalsContact C-N 3.29Å; Q132-L134 PolarHBondContact O-N 2.94Å; L134-E137 WeakPolarHBondContact O-CB 3.24Å; L134-E137 PolarHBondContact O-N 3.03Å; L134-W138 HydrophobicContact CD1-CD2 4.28Å; L134-W138 HydrophobicContact CD1-CZ2 3.81Å; L134-W138 HydrophobicContact CD2-CH2 4.05Å; L134-W138 HydrophobicContact CD2-CZ2 3.89Å; L134-W138 HydrophobicContact CG-CD2 4.19Å; L134-W138 HydrophobicContact CG-CH2 4.35Å; L134-W138 HydrophobicContact CG-CZ2 3.92Å; L134-W138 VanDerWaalsContact O-CG 3.31Å; L134-W138 PolarHBondContact O-N 3.43Å; L134-W138 VanDerWaalsContact O-N 3.07Å
135A98.3Very high98Very high1 Ų148.5 Ų48.51%0.00828%0.28CS..Hα-helixtrans-67.7-36.5177.300000112.5L113 G131 Q132 W138 G139 C140 F142L113-A135 HydrophobicContact CB-CB 4.41Å; L113-A135 HydrophobicContact CD2-CB 4.11Å; G131-A135 PolarHBondContact O-N 2.86Å; Q132-A135 PolarHBondContact O-N 3.15Å; A135-W138 CarbonylContact O-C 3.56Å; A135-W138 PolarHBondContact O-N 3.35Å; A135-G139 PolarHBondContact O-N 3.41Å; A135-C140 WeakPolarHBondContact CB-O 3.23Å; A135-C140 PolarHBondContact O-N 3.29Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.42Å
136E98.1Very high98Very high128 Ų12843.3 Ų43.360%0.59826%0.256SS*.Hα-helixtrans-62.7-43.4171.3-74.8172.3-167.300111.8Q132 W138 G139Q132-E136 WeakPolarHBondContact CG-OE1 3.2Å; Q132-E136 PolarHBondContact NE2-OE1 3.2Å; Q132-E136 WeakPolarHBondContact O-CG 3.41Å; Q132-E136 PolarHBondContact O-N 3.29Å; E136-W138 PolarHBondContact O-N 3.34Å; E136-G139 PolarHBondContact O-N 3.12Å; E136-G139 VanDerWaalsContact O-N 3.15Å
137E96.9Very high98Very high136 Ų13643.5 Ų43.564%0.63626%0.257SS*.Hα-helixtrans-56.7-37.1172.8-174.2-169.6152.400111.5A133 L134A133-E137 PolarHBondContact O-N 2.85Å; L134-E137 WeakPolarHBondContact O-CB 3.24Å; L134-E137 PolarHBondContact O-N 3.03Å
138W95.4Very high97.9Very high40 Ų4047.1 Ų47.115%0.15227%0.269CS..Hα-helixtrans-86.6-12.4-179.5-66.5-3.6000114.5L80 I93 K94 R97 L113 L134 A135 E136 C140L80-W138 HydrophobicContact CD1-CH2 4.05Å; L80-W138 HydrophobicContact CD1-CZ3 3.68Å; I93-W138 HydrophobicContact CB-CH2 4.45Å; I93-W138 HydrophobicContact CG1-CH2 4.04Å; I93-W138 HydrophobicContact CG1-CZ3 4.49Å; I93-W138 HydrophobicContact CG2-CH2 3.84Å; I93-W138 HydrophobicContact CG2-CZ2 4.45Å; K94-W138 HydrophobicContact CG-CZ2 3.89Å; R97-W138 HydrophobicContact CB-CH2 3.73Å; R97-W138 HydrophobicContact CB-CZ2 3.83Å; R97-W138 HydrophobicContact CB-CZ3 4.23Å; R97-W138 HydrophobicContact CG-CD2 4.14Å; R97-W138 HydrophobicContact CG-CE3 4.29Å; R97-W138 HydrophobicContact CG-CH2 4.12Å; R97-W138 HydrophobicContact CG-CZ2 4.02Å; R97-W138 HydrophobicContact CG-CZ3 4.28Å; L113-W138 HydrophobicContact CB-CE3 4.49Å; L113-W138 HydrophobicContact CB-CZ3 4.35Å; L113-W138 HydrophobicContact CD1-CH2 4.42Å; L113-W138 HydrophobicContact CD1-CZ3 3.88Å; L113-W138 HydrophobicContact CD2-CZ3 4.42Å; L113-W138 HydrophobicContact CG-CZ3 4.44Å; L134-W138 HydrophobicContact CD1-CD2 4.28Å; L134-W138 HydrophobicContact CD1-CZ2 3.81Å; L134-W138 HydrophobicContact CD2-CH2 4.05Å; L134-W138 HydrophobicContact CD2-CZ2 3.89Å; L134-W138 HydrophobicContact CG-CD2 4.19Å; L134-W138 HydrophobicContact CG-CH2 4.35Å; L134-W138 HydrophobicContact CG-CZ2 3.92Å; L134-W138 VanDerWaalsContact O-CG 3.31Å; L134-W138 PolarHBondContact O-N 3.43Å; L134-W138 VanDerWaalsContact O-N 3.07Å; A135-W138 CarbonylContact O-C 3.56Å; A135-W138 PolarHBondContact O-N 3.35Å; E136-W138 PolarHBondContact O-N 3.34Å; W138-C140 VanDerWaalsContact C-N 3.32Å
139G95.3Very high97.8Very high74 Ų7448 Ų4876%0.76327%0.272SS*.THydrogen-bonded Turntrans62.636.1-172.500000113.1A135 E136A135-G139 PolarHBondContact O-N 3.41Å; E136-G139 PolarHBondContact O-N 3.12Å; E136-G139 VanDerWaalsContact O-N 3.15Å
140C96.8Very high97.8Very high23 Ų2348 Ų4816%0.15526%0.261CS..  trans-125.7162.9-179.674.30000112.8V111 A135 W138V111-C140 HydrophobicContact CB-CB 4.5Å; V111-C140 WeakPolarHBondContact O-CB 3.3Å; A135-C140 WeakPolarHBondContact CB-O 3.23Å; A135-C140 PolarHBondContact O-N 3.29Å; W138-C140 VanDerWaalsContact C-N 3.32Å
141P98.3Very high97.8Very high31 Ų3147.4 Ų47.420%0.20126%0.263CS..  trans-66.1146.3173.6-20.633.1000112.8V111 I112 L113 E159 Q163V111-P141 WeakPolarHBondContact O-CD 3.47Å; I112-P141 HydrophobicContact CG1-CB 4.3Å; I112-P141 HydrophobicContact CG1-CG 4.27Å; I112-P141 HydrophobicContact CG2-CB 4.38Å; L113-P141 PolarHBondContact N-O 3.01Å; P141-E159 HydrophobicContact CB-CG 4.49Å; P141-E159 HydrophobicContact CG-CG 4.48Å; P141-Q163 HydrophobicContact CG-CG 4.05Å
142F98.7Very high97.8Very high37 Ų3751.7 Ų51.716%0.16228%0.284CS..EExtended strand (participates in β ladder)trans-115.6137.9170.4176.9-123.8000110.8Y82 L113 Q132 A135 E144Y82-F142 HydrophobicContact CE1-CE2 4.11Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.09Å; L113-F142 HydrophobicContact CB-CD2 4.27Å; L113-F142 HydrophobicContact CD2-CD2 4.06Å; L113-F142 HydrophobicContact CG-CD2 3.96Å; L113-F142 HydrophobicContact CG-CE2 4.43Å; L113-F142 WeakPolarHBondContact O-CA 3.04Å; L113-F142 WeakPolarHBondContact O-CD2 3.4Å; Q132-F142 HydrophobicContact CB-CD1 4.19Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.42Å; F142-E144 HydrophobicContact CE1-CG 3.91Å; F142-E144 HydrophobicContact CE2-CG 4.44Å; F142-E144 HydrophobicContact CZ-CG 3.56Å
143M98.8Very high97.8Very high19 Ų1947.8 Ų47.89%0.09427%0.266CS..EExtended strand (participates in β ladder)trans-140.6135.2175.3-58.1178.677.500111.2I112 L113 V114 G115 T145 M152 E155 L156 E159I112-M143 HydrophobicContact CG2-CG 4.35Å; I112-M143 HydrophobicContact CG2-SD 4.29Å; L113-M143 PolarHBondContact O-N 3.41Å; V114-M143 VanDerWaalsContact CA-O 3.3Å; V114-M143 WeakPolarHBondContact CA-O 3.2Å; G115-M143 PolarHBondContact N-O 3.4Å; M143-T145 HydrophobicContact CB-CG2 4.4Å; M143-M152 HydrophobicContact CE-CB 4.25Å; M143-M152 HydrophobicContact CE-CE 3.34Å; M143-E155 HydrophobicContact CE-CB 3.87Å; M143-E155 HydrophobicContact CE-CG 3.61Å; M143-L156 HydrophobicContact CE-CB 4.31Å; M143-L156 HydrophobicContact SD-CB 4.15Å; M143-L156 HydrophobicContact SD-CD1 4Å; M143-E159 HydrophobicContact SD-CB 4.31Å
144E98.8Very high97.7Very high39 Ų3948.5 Ų48.518%0.18226%0.262CS..EExtended strand (participates in β ladder)trans-93.1131.7164.3-65.4-164.2162.100110.2L84 G115 V118 R124 A128 F142 M152L84-E144 HydrophobicContact CD1-CB 4.4Å; L84-E144 HydrophobicContact CD1-CG 4.21Å; L84-E144 HydrophobicContact CD2-CG 4.47Å; L84-E144 WeakPolarHBondContact CD2-OE1 3.39Å; G115-E144 CarbonylContact O-C 3.48Å; G115-E144 VanDerWaalsContact O-CA 3.23Å; G115-E144 WeakPolarHBondContact O-CA 3.25Å; V118-E144 HydrophobicContact CB-CB 4.27Å; V118-E144 HydrophobicContact CG2-CB 4.19Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.48Å; R124-E144 IonicContact CZ-OE1 3.02Å; R124-E144 IonicContact CZ-OE2 3.23Å; R124-E144 IonicContact NH1-OE1 3.46Å; R124-E144 PolarHBondContact NH1-OE1 2.91Å; R124-E144 IonicContact NH1-OE2 2.89Å; R124-E144 IonicContact NH2-OE1 3.04Å; R124-E144 IonicContact NH2-OE2 2.72Å; R124-E144 PolarHBondContact NH2-OE2 2.74Å; A128-E144 WeakPolarHBondContact CA-OE1 2.93Å; F142-E144 HydrophobicContact CE1-CG 3.91Å; F142-E144 HydrophobicContact CE2-CG 4.44Å; F142-E144 HydrophobicContact CZ-CG 3.56Å; E144-M152 WeakPolarHBondContact O-CB 3.31Å
145T98.8Very high97.7Very high0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-131.2160.8-172.860.50000111.6V114 G115 N116 K117 V118 M143 T151 M152 L156V114-T145 HydrophobicContact CG1-CG2 3.74Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.24Å; G115-T145 PolarHBondContact O-N 3.28Å; N116-T145 CarbonylContact C-O 3.52Å; N116-T145 WeakPolarHBondContact CA-O 3.41Å; N116-T145 PolarHBondContact OD1-O 2.84Å; N116-T145 PolarHBondContact OD1-OG1 3.08Å; K117-T145 PolarHBondContact N-O 3.22Å; V118-T145 WeakPolarHBondContact CG1-O 3.33Å; V118-T145 PolarHBondContact N-O 3.35Å; M143-T145 HydrophobicContact CB-CG2 4.4Å; T145-T151 WeakPolarHBondContact CA-O 3.28Å; T145-M152 HydrophobicContact CG2-CB 3.96Å; T145-L156 HydrophobicContact CG2-CB 4.45Å; T145-L156 HydrophobicContact CG2-CD2 4.23Å
146S98.5Very high97.7Very high0 Ų052 Ų520%028%0.278CS..BIsolated β-bridgetrans-139.5111.1167.3166.90000109.3D119 K148 S149 K150 T151D119-S146 VanDerWaalsContact CG-OG 3.25Å; D119-S146 WeakPolarHBondContact OD1-CB 3.45Å; D119-S146 PolarHBondContact OD1-OG 2.65Å; S146-K148 PolarHBondContact O-N 3.38Å; S146-K148 PolarHBondContact OG-N 2.84Å; S146-S149 WeakPolarHBondContact CB-OG 3.19Å; S146-S149 PolarHBondContact OG-N 2.6Å; S146-S149 PolarHBondContact OG-OG 2.79Å; S146-K150 CarbonylContact O-C 3.58Å; S146-K150 VanDerWaalsContact O-CA 3.27Å; S146-K150 WeakPolarHBondContact O-CA 3.47Å; S146-K150 PolarHBondContact O-N 3.03Å; S146-T151 PolarHBondContact N-O 2.74Å; S146-T151 PolarHBondContact O-N 2.87Å; S146-T151 VanDerWaalsContact O-N 3.12Å
147A97.6Very high97.8Very high3 Ų345.9 Ų45.93%0.02525%0.25CC..THydrogen-bonded Turntrans-57.1-36.9169.800000111.7A18 L19 Q22 F28 N116A18-A147 HydrophobicContact CB-CB 3.64Å; L19-A147 HydrophobicContact CD2-CB 3.96Å; L19-A147 HydrophobicContact CG-CB 4.2Å; Q22-A147 VanDerWaalsContact CD-O 3.27Å; Q22-A147 VanDerWaalsContact CG-O 3.28Å; Q22-A147 WeakPolarHBondContact CG-O 3.5Å; Q22-A147 PolarHBondContact NE2-O 2.75Å; F28-A147 HydrophobicContact CD2-CB 4.07Å; F28-A147 HydrophobicContact CE2-CB 4.09Å; N116-A147 PolarHBondContact OD1-N 2.98Å
148K96.8Very high97.8Very high113 Ų11340.1 Ų40.149%0.49123%0.225SC..THydrogen-bonded Turntrans-66.1-47.2-177.5-173.8-179.2-175.5177.90113F28 D119 S146F28-K148 HydrophobicContact CD1-CB 4.33Å; F28-K148 HydrophobicContact CD1-CG 4.07Å; F28-K148 HydrophobicContact CD2-CB 4.34Å; F28-K148 HydrophobicContact CE1-CB 4.12Å; F28-K148 HydrophobicContact CE1-CD 4.49Å; F28-K148 HydrophobicContact CE1-CG 3.9Å; F28-K148 HydrophobicContact CE2-CB 4.14Å; F28-K148 HydrophobicContact CG-CB 4.43Å; F28-K148 HydrophobicContact CZ-CB 4.03Å; F28-K148 HydrophobicContact CZ-CG 4.29Å; D119-K148 VanDerWaalsContact OD2-CD 3.32Å; D119-K148 WeakPolarHBondContact OD2-CD 3.37Å; S146-K148 PolarHBondContact O-N 3.38Å; S146-K148 PolarHBondContact OG-N 2.84Å
149S96.5Very high97.9Very high65 Ų6539.9 Ų39.946%0.45523%0.226SC..THydrogen-bonded Turntrans-94.3-0.3-178.460.60000113.7S146 T151S146-S149 WeakPolarHBondContact CB-OG 3.19Å; S146-S149 PolarHBondContact OG-N 2.6Å; S146-S149 PolarHBondContact OG-OG 2.79Å; S149-T151 PolarHBondContact O-N 2.87Å; S149-T151 PolarHBondContact OG-OG1 3.21Å
150K97.3Very high98.1Very high83 Ų8336.3 Ų36.336%0.36119%0.189SC..THydrogen-bonded Turntrans61.715.1-171.4-151.2-178.9173.9-158.10114.1Q22 S146 M152 V153 D154Q22-K150 HydrophobicContact CG-CB 4.36Å; Q22-K150 HydrophobicContact CG-CG 3.91Å; S146-K150 CarbonylContact O-C 3.58Å; S146-K150 VanDerWaalsContact O-CA 3.27Å; S146-K150 WeakPolarHBondContact O-CA 3.47Å; S146-K150 PolarHBondContact O-N 3.03Å; K150-M152 PolarHBondContact O-N 3.4Å; K150-V153 HydrophobicContact CG-CB 4.17Å; K150-V153 HydrophobicContact CG-CG2 4.39Å; K150-V153 PolarHBondContact O-N 3.11Å; K150-D154 WeakPolarHBondContact CE-OD1 3.16Å; K150-D154 WeakPolarHBondContact CE-OD2 3.33Å; K150-D154 IonicContact NZ-OD1 2.84Å; K150-D154 IonicContact NZ-OD2 3.57Å; K150-D154 PolarHBondContact NZ-OD2 2.81Å
151T98.4Very high98.1Very high63 Ų6335.2 Ų35.239%0.38718%0.182SC..BIsolated β-bridgetrans-62.5121.9179.6-59.70000110.6V118 T145 S146 S149 V153V118-T151 HydrophobicContact CG1-CG2 4.21Å; T145-T151 WeakPolarHBondContact CA-O 3.28Å; S146-T151 PolarHBondContact N-O 2.74Å; S146-T151 PolarHBondContact O-N 2.87Å; S146-T151 VanDerWaalsContact O-N 3.12Å; S149-T151 PolarHBondContact O-N 2.87Å; S149-T151 PolarHBondContact OG-OG1 3.21Å; T151-V153 PolarHBondContact O-N 3.36Å
152M98.4Very high98Very high90 Ų9035.9 Ų35.944%0.44318%0.18SC..THydrogen-bonded Turntrans59.211.5177.7-60.7-61.4-6700115.9M143 E144 T145 K150 E155 L156M143-M152 HydrophobicContact CE-CB 4.25Å; M143-M152 HydrophobicContact CE-CE 3.34Å; E144-M152 WeakPolarHBondContact O-CB 3.31Å; T145-M152 HydrophobicContact CG2-CB 3.96Å; K150-M152 PolarHBondContact O-N 3.4Å; M152-E155 HydrophobicContact CE-CB 3.99Å; M152-E155 HydrophobicContact CE-CG 3.81Å; M152-L156 WeakPolarHBondContact O-CB 3.18Å; M152-L156 PolarHBondContact O-N 2.96Å
153V98.5Very high97.8Very high0 Ų036.3 Ų36.30%018%0.183CC..Hα-helixtrans-67.8-49.5-175.8176.10000111.7L19 Q22 F23 K150 T151 E155 L156 F157L19-V153 HydrophobicContact CD2-CG2 3.84Å; Q22-V153 HydrophobicContact CB-CG1 4.42Å; Q22-V153 HydrophobicContact CG-CG1 4.19Å; Q22-V153 HydrophobicContact CG-CG2 4.29Å; F23-V153 HydrophobicContact CB-CG1 3.84Å; K150-V153 HydrophobicContact CG-CB 4.17Å; K150-V153 HydrophobicContact CG-CG2 4.39Å; K150-V153 PolarHBondContact O-N 3.11Å; T151-V153 PolarHBondContact O-N 3.36Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.15Å; V153-L156 PolarHBondContact O-N 2.85Å; V153-F157 HydrophobicContact CG1-CD2 4.48Å; V153-F157 HydrophobicContact CG1-CE2 4.33Å; V153-F157 WeakPolarHBondContact O-CD2 3.41Å
154D97.8Very high97.6Very high69 Ų6935.9 Ų35.937%0.36918%0.181SC..Hα-helixtrans-66-39.3-179.4-66.4-35.7000111.2K150 L156 F157 A158K150-D154 WeakPolarHBondContact CE-OD1 3.16Å; K150-D154 WeakPolarHBondContact CE-OD2 3.33Å; K150-D154 IonicContact NZ-OD1 2.84Å; K150-D154 IonicContact NZ-OD2 3.57Å; K150-D154 PolarHBondContact NZ-OD2 2.81Å; D154-L156 PolarHBondContact O-N 2.92Å; D154-F157 PolarHBondContact O-N 2.55Å; D154-A158 PolarHBondContact O-N 3.39Å; D154-A158 VanDerWaalsContact O-N 3.1Å
155E98.4Very high97.3Very high77 Ų7735.8 Ų35.836%0.3618%0.182SC..Hα-helixtrans-64.9-37.1177.8-173.258.1-152.600112M143 M152 V153 F157 A158 E159 R162M143-E155 HydrophobicContact CE-CB 3.87Å; M143-E155 HydrophobicContact CE-CG 3.61Å; M152-E155 HydrophobicContact CE-CB 3.99Å; M152-E155 HydrophobicContact CE-CG 3.81Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.15Å; E155-F157 VanDerWaalsContact C-N 3.35Å; E155-F157 PolarHBondContact O-N 2.74Å; E155-A158 PolarHBondContact O-N 2.59Å; E155-E159 VanDerWaalsContact O-CB 3.28Å; E155-E159 WeakPolarHBondContact O-CB 3.43Å; E155-E159 PolarHBondContact O-N 2.92Å; E155-R162 IonicContact OE1-CZ 3Å; E155-R162 IonicContact OE1-NH1 3.75Å; E155-R162 PolarHBondContact OE1-NH1 2.84Å; E155-R162 IonicContact OE1-NH2 2.85Å
156L98.7Very high96.6Very high1 Ų143.1 Ų43.11%0.00521%0.21CC..Hα-helixtrans-57.1-47.3176.9168.261.6000112.1L19 I79 I112 V114 M143 T145 M152 V153 D154 E159 I160L19-L156 HydrophobicContact CD1-CD2 4.34Å; I79-L156 HydrophobicContact CD1-CD1 4.25Å; I79-L156 HydrophobicContact CD1-CD2 4.4Å; I79-L156 HydrophobicContact CD1-CG 4.12Å; I79-L156 HydrophobicContact CG1-CD1 4.41Å; I79-L156 HydrophobicContact CG2-CD1 4.09Å; I79-L156 HydrophobicContact CG2-CD2 4.11Å; I79-L156 HydrophobicContact CG2-CG 4.49Å; I112-L156 HydrophobicContact CB-CD1 4.4Å; I112-L156 HydrophobicContact CD1-CD1 4.28Å; I112-L156 HydrophobicContact CG2-CD1 3.84Å; V114-L156 HydrophobicContact CG1-CD2 4.25Å; V114-L156 HydrophobicContact CG2-CD1 3.42Å; V114-L156 VanDerWaalsContact CG2-CD1 3.42Å; V114-L156 HydrophobicContact CG2-CD2 3.98Å; V114-L156 HydrophobicContact CG2-CG 4.35Å; M143-L156 HydrophobicContact CE-CB 4.31Å; M143-L156 HydrophobicContact SD-CB 4.15Å; M143-L156 HydrophobicContact SD-CD1 4Å; T145-L156 HydrophobicContact CG2-CB 4.45Å; T145-L156 HydrophobicContact CG2-CD2 4.23Å; M152-L156 WeakPolarHBondContact O-CB 3.18Å; M152-L156 PolarHBondContact O-N 2.96Å; V153-L156 PolarHBondContact O-N 2.85Å; D154-L156 PolarHBondContact O-N 2.92Å; L156-E159 PolarHBondContact O-N 2.83Å; L156-I160 PolarHBondContact O-N 2.86Å; L156-I160 VanDerWaalsContact O-N 3.16Å
157F98.4Very high95.8Very high1 Ų145.2 Ų45.20%0.00423%0.228CC..Hα-helixtrans-77.1-25.2-178.4-72.4-79.8000112.7F23 L53 I55 I79 V153 D154 E155 I160F23-F157 HydrophobicContact CB-CD2 3.54Å; F23-F157 HydrophobicContact CB-CE2 3.42Å; F23-F157 VanDerWaalsContact CB-CE2 3.42Å; F23-F157 HydrophobicContact CB-CG 4.42Å; F23-F157 HydrophobicContact CB-CZ 4.21Å; F23-F157 HydrophobicContact CD1-CB 4.14Å; F23-F157 HydrophobicContact CD1-CD1 4.05Å; F23-F157 AromaticContact CD1-CD2 3.66Å; F23-F157 HydrophobicContact CD1-CD2 3.66Å; F23-F157 HydrophobicContact CD1-CE1 4.37Å; F23-F157 HydrophobicContact CD1-CE2 4.03Å; F23-F157 AromaticContact CD1-CG 3.68Å; F23-F157 HydrophobicContact CD1-CG 3.68Å; F23-F157 HydrophobicContact CD1-CZ 4.36Å; F23-F157 HydrophobicContact CD2-CB 3.94Å; F23-F157 AromaticContact CD2-CD2 3.53Å; F23-F157 HydrophobicContact CD2-CD2 3.53Å; F23-F157 HydrophobicContact CD2-CE2 4.32Å; F23-F157 AromaticContact CD2-CG 3.95Å; F23-F157 HydrophobicContact CD2-CG 3.95Å; F23-F157 HydrophobicContact CE1-CB 3.73Å; F23-F157 HydrophobicContact CE1-CD1 4.08Å; F23-F157 HydrophobicContact CE1-CD2 4.16Å; F23-F157 AromaticContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 HydrophobicContact CE2-CD2 4.05Å; F23-F157 HydrophobicContact CE2-CG 4.01Å; F23-F157 HydrophobicContact CG-CB 4.21Å; F23-F157 AromaticContact CG-CD2 3.29Å; F23-F157 HydrophobicContact CG-CD2 3.29Å; F23-F157 AromaticContact CG-CE2 3.69Å; F23-F157 HydrophobicContact CG-CE2 3.69Å; F23-F157 AromaticContact CG-CG 3.77Å; F23-F157 HydrophobicContact CG-CG 3.77Å; F23-F157 HydrophobicContact CG-CZ 4.44Å; F23-F157 HydrophobicContact CZ-CB 3.35Å; F23-F157 HydrophobicContact CZ-CD2 4.3Å; F23-F157 AromaticContact CZ-CG 3.86Å; F23-F157 HydrophobicContact CZ-CG 3.86Å; L53-F157 HydrophobicContact CD2-CB 4.02Å; L53-F157 HydrophobicContact CD2-CD1 3.91Å; L53-F157 HydrophobicContact CD2-CG 4.42Å; I55-F157 HydrophobicContact CD1-CD1 3.98Å; I55-F157 HydrophobicContact CD1-CE1 3.75Å; I55-F157 HydrophobicContact CD1-CZ 4.44Å; I55-F157 HydrophobicContact CG1-CE1 4.34Å; I55-F157 HydrophobicContact CG2-CE1 4.11Å; I79-F157 HydrophobicContact CD1-CD1 3.88Å; I79-F157 HydrophobicContact CD1-CE1 3.7Å; I79-F157 HydrophobicContact CD1-CZ 4.33Å; V153-F157 HydrophobicContact CG1-CD2 4.48Å; V153-F157 HydrophobicContact CG1-CE2 4.33Å; V153-F157 WeakPolarHBondContact O-CD2 3.41Å; D154-F157 PolarHBondContact O-N 2.55Å; E155-F157 VanDerWaalsContact C-N 3.35Å; E155-F157 PolarHBondContact O-N 2.74Å; F157-I160 WeakPolarHBondContact O-CG2 3.43Å
158A98.1Very high94.5Very high14 Ų1448.7 Ų48.712%0.11626%0.257CS..Hα-helixtrans-69.9-43.816800000111.3V46 D154 E155 I160 V161 R162V46-A158 HydrophobicContact CG1-CB 4.47Å; V46-A158 HydrophobicContact CG2-CB 4.21Å; D154-A158 PolarHBondContact O-N 3.39Å; D154-A158 VanDerWaalsContact O-N 3.1Å; E155-A158 PolarHBondContact O-N 2.59Å; A158-I160 PolarHBondContact O-N 2.94Å; A158-V161 WeakPolarHBondContact O-CB 3.22Å; A158-V161 PolarHBondContact O-N 3.28Å; A158-V161 VanDerWaalsContact O-N 3.12Å; A158-R162 PolarHBondContact O-N 3.3Å; A158-R162 VanDerWaalsContact O-N 3.15Å
159E98.3Very high92.8Very high35 Ų3548.7 Ų48.716%0.16426%0.258CS..Hα-helixtrans-65-38.7-176.8-175.752.1-150.800112I112 P141 M143 E155 L156 V161 R162 Q163I112-E159 HydrophobicContact CD1-CB 3.78Å; I112-E159 HydrophobicContact CD1-CG 3.58Å; P141-E159 HydrophobicContact CB-CG 4.49Å; P141-E159 HydrophobicContact CG-CG 4.48Å; M143-E159 HydrophobicContact SD-CB 4.31Å; E155-E159 VanDerWaalsContact O-CB 3.28Å; E155-E159 WeakPolarHBondContact O-CB 3.43Å; E155-E159 PolarHBondContact O-N 2.92Å; L156-E159 PolarHBondContact O-N 2.83Å; E159-V161 PolarHBondContact O-N 2.87Å; E159-R162 WeakPolarHBondContact O-CB 3.27Å; E159-R162 PolarHBondContact O-N 3.5Å; E159-R162 VanDerWaalsContact O-N 3.09Å; E159-R162 IonicContact OE2-CZ 2.75Å; E159-R162 IonicContact OE2-NH1 3.62Å; E159-R162 PolarHBondContact OE2-NH1 3.29Å; E159-Q163 WeakPolarHBondContact O-CG 3.46Å; E159-Q163 PolarHBondContact O-N 3.33Å; E159-Q163 PolarHBondContact OE1-NE2 2.86Å
160I98.1Very high90.7Very high0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-64.2-31.4176.9-166.862.4000111.9V6 I79 P110 I112 L156 F157 A158 Q163 M164V6-I160 HydrophobicContact CG1-CG1 4.19Å; V6-I160 HydrophobicContact CG1-CG2 4.23Å; V6-I160 HydrophobicContact CG2-CG1 4.19Å; V6-I160 HydrophobicContact CG2-CG2 3.8Å; I79-I160 HydrophobicContact CD1-CB 4.49Å; I79-I160 HydrophobicContact CD1-CG2 4.22Å; I79-I160 HydrophobicContact CG1-CB 4.34Å; I79-I160 HydrophobicContact CG1-CG1 4.21Å; P110-I160 HydrophobicContact CB-CD1 4.4Å; I112-I160 HydrophobicContact CD1-CB 3.78Å; I112-I160 HydrophobicContact CD1-CD1 4.06Å; I112-I160 VanDerWaalsContact CD1-N 3.31Å; I112-I160 HydrophobicContact CG1-CD1 3.95Å; L156-I160 PolarHBondContact O-N 2.86Å; L156-I160 VanDerWaalsContact O-N 3.16Å; F157-I160 WeakPolarHBondContact O-CG2 3.43Å; A158-I160 PolarHBondContact O-N 2.94Å; I160-Q163 PolarHBondContact O-N 3.22Å; I160-M164 HydrophobicContact CG1-CE 4.24Å; I160-M164 HydrophobicContact CG2-CE 4.41Å; I160-M164 VanDerWaalsContact O-CE 3.31Å; I160-M164 WeakPolarHBondContact O-CE 3.45Å; I160-M164 WeakPolarHBondContact O-CG 3.43Å; I160-M164 PolarHBondContact O-N 3.14Å
161V97.2Very high88.6Confident0 Ų052 Ų520%028%0.281CS..Hα-helixtrans-63.8-47.8171.81740000110.8Y4 I44 V46 L53 A158 E159 Q163 M164 D165Y4-V161 HydrophobicContact CD2-CG1 4.2Å; Y4-V161 HydrophobicContact CD2-CG2 4.37Å; Y4-V161 HydrophobicContact CE1-CG1 4.21Å; Y4-V161 HydrophobicContact CE2-CG1 3.83Å; Y4-V161 HydrophobicContact CG-CG2 4.49Å; I44-V161 HydrophobicContact CD1-CG2 4.12Å; V46-V161 HydrophobicContact CB-CB 4.45Å; V46-V161 HydrophobicContact CB-CG1 4.08Å; V46-V161 HydrophobicContact CG1-CB 4.24Å; V46-V161 HydrophobicContact CG1-CG1 4.08Å; V46-V161 HydrophobicContact CG2-CB 4.01Å; V46-V161 HydrophobicContact CG2-CG1 4.03Å; V46-V161 HydrophobicContact CG2-CG2 4.2Å; L53-V161 HydrophobicContact CD1-CG2 3.1Å; L53-V161 HydrophobicContact CD2-CG2 4.44Å; L53-V161 HydrophobicContact CG-CG2 4.38Å; A158-V161 WeakPolarHBondContact O-CB 3.22Å; A158-V161 PolarHBondContact O-N 3.28Å; A158-V161 VanDerWaalsContact O-N 3.12Å; E159-V161 PolarHBondContact O-N 2.87Å; V161-Q163 VanDerWaalsContact C-N 3.29Å; V161-Q163 PolarHBondContact O-N 2.84Å; V161-M164 HydrophobicContact CG2-CE 4.2Å; V161-M164 PolarHBondContact O-N 2.85Å; V161-M164 VanDerWaalsContact O-N 3.1Å; V161-D165 PolarHBondContact O-N 2.99Å
162R96.2Very high86.2Confident44 Ų4458 Ų5817%0.16630%0.302CS..Hα-helixtrans-57.3-45.4177-60.9-169.1-167104.70.8111.1V46 D47 E155 A158 E159 M164 D165 Y166V46-R162 HydrophobicContact CG1-CG 3.8Å; D47-R162 IonicContact OD1-CZ 3.3Å; D47-R162 IonicContact OD1-NE 2.8Å; D47-R162 PolarHBondContact OD1-NE 3.14Å; D47-R162 IonicContact OD1-NH2 3.71Å; D47-R162 PolarHBondContact OD1-NH2 3.25Å; D47-R162 VanDerWaalsContact OD2-CD 3.31Å; D47-R162 WeakPolarHBondContact OD2-CD 3.49Å; D47-R162 IonicContact OD2-NE 3.55Å; D47-R162 PolarHBondContact OD2-NE 3.3Å; E155-R162 IonicContact OE1-CZ 3Å; E155-R162 IonicContact OE1-NH1 3.75Å; E155-R162 PolarHBondContact OE1-NH1 2.84Å; E155-R162 IonicContact OE1-NH2 2.85Å; A158-R162 PolarHBondContact O-N 3.3Å; A158-R162 VanDerWaalsContact O-N 3.15Å; E159-R162 WeakPolarHBondContact O-CB 3.27Å; E159-R162 PolarHBondContact O-N 3.5Å; E159-R162 VanDerWaalsContact O-N 3.09Å; E159-R162 IonicContact OE2-CZ 2.75Å; E159-R162 IonicContact OE2-NH1 3.62Å; E159-R162 PolarHBondContact OE2-NH1 3.29Å; R162-M164 VanDerWaalsContact C-N 3.32Å; R162-M164 PolarHBondContact O-N 2.92Å; R162-D165 PolarHBondContact O-N 3.04Å; R162-D165 VanDerWaalsContact O-N 3.17Å; R162-Y166 HydrophobicContact CB-CD2 4.43Å; R162-Y166 HydrophobicContact CB-CE2 4.13Å; R162-Y166 WeakPolarHBondContact O-CD2 3.16Å; R162-Y166 PolarHBondContact O-N 2.86Å
163Q95.5Very high83.8Confident46 Ų4660.8 Ų60.822%0.21532%0.318CS..Hα-helixtrans-59.4-41176.7-66.8-59.5-44.100112.5P110 I112 P141 E159 I160 V161 Y166 A167P110-Q163 HydrophobicContact CB-CB 4Å; I112-Q163 HydrophobicContact CD1-CG 4.37Å; I112-Q163 HydrophobicContact CG1-CG 4.26Å; P141-Q163 HydrophobicContact CG-CG 4.05Å; E159-Q163 WeakPolarHBondContact O-CG 3.46Å; E159-Q163 PolarHBondContact O-N 3.33Å; E159-Q163 PolarHBondContact OE1-NE2 2.86Å; I160-Q163 PolarHBondContact O-N 3.22Å; V161-Q163 VanDerWaalsContact C-N 3.29Å; V161-Q163 PolarHBondContact O-N 2.84Å; Q163-Y166 PolarHBondContact O-N 2.84Å; Q163-A167 WeakPolarHBondContact O-CB 3.36Å; Q163-A167 PolarHBondContact O-N 2.93Å; Q163-A167 VanDerWaalsContact O-N 3.08Å
164M94.4Very high81.2Confident10 Ų1065.8 Ų65.85%0.04935%0.345CS..Hα-helixtrans-67.6-37.4175.6-72.4-178-70.600112.7Y4 V6 Q76 G77 P110 I160 V161 R162 A168Y4-M164 VanDerWaalsContact CB-CE 3.47Å; Y4-M164 HydrophobicContact CD1-CB 3.83Å; Y4-M164 HydrophobicContact CD1-CE 3.66Å; Y4-M164 HydrophobicContact CD1-SD 3.94Å; Y4-M164 HydrophobicContact CE1-CB 4.07Å; Y4-M164 HydrophobicContact CG-CE 3.83Å; Y4-M164 HydrophobicContact CG-SD 4.45Å; V6-M164 HydrophobicContact CG2-CE 3.55Å; V6-M164 HydrophobicContact CG2-SD 4.31Å; Q76-M164 HydrophobicContact CB-CG 4.39Å; Q76-M164 HydrophobicContact CB-SD 3.55Å; Q76-M164 VanDerWaalsContact CB-SD 3.55Å; G77-M164 PolarHBondContact N-SD 3.4Å; G77-M164 VanDerWaalsContact N-SD 3.36Å; P110-M164 HydrophobicContact CB-CG 3.72Å; P110-M164 HydrophobicContact CG-CB 4.35Å; P110-M164 HydrophobicContact CG-CG 3.84Å; I160-M164 HydrophobicContact CG1-CE 4.24Å; I160-M164 HydrophobicContact CG2-CE 4.41Å; I160-M164 VanDerWaalsContact O-CE 3.31Å; I160-M164 WeakPolarHBondContact O-CE 3.45Å; I160-M164 WeakPolarHBondContact O-CG 3.43Å; I160-M164 PolarHBondContact O-N 3.14Å; V161-M164 HydrophobicContact CG2-CE 4.2Å; V161-M164 PolarHBondContact O-N 2.85Å; V161-M164 VanDerWaalsContact O-N 3.1Å; R162-M164 VanDerWaalsContact C-N 3.32Å; R162-M164 PolarHBondContact O-N 2.92Å; M164-A168 WeakPolarHBondContact O-CB 3.48Å; M164-A168 PolarHBondContact O-N 2.81Å; M164-A168 VanDerWaalsContact O-N 3.11Å
165D91.1Very high78.7Confident38 Ų3867.8 Ų67.820%0.20336%0.362CS..Hα-helixtrans-67.6-39.5175.2-84.6-33.6000112.6R2 Y4 V161 R162 A168R2-D165 IonicContact NH1-OD1 3.58Å; R2-D165 PolarHBondContact NH1-OD1 2.9Å; Y4-D165 PolarHBondContact OH-OD1 2.88Å; Y4-D165 PolarHBondContact OH-OD2 2.84Å; V161-D165 PolarHBondContact O-N 2.99Å; R162-D165 PolarHBondContact O-N 3.04Å; R162-D165 VanDerWaalsContact O-N 3.17Å; D165-A168 PolarHBondContact O-N 3.1Å
166Y85.3Confident76.4Confident153 Ų15369 Ų6960%0.638%0.378SS*.Hα-helixtrans-64.2-43.6174.8-73.9-60.3000112R162 Q163 A168 Q169R162-Y166 HydrophobicContact CB-CD2 4.43Å; R162-Y166 HydrophobicContact CB-CE2 4.13Å; R162-Y166 WeakPolarHBondContact O-CD2 3.16Å; R162-Y166 PolarHBondContact O-N 2.86Å; Q163-Y166 PolarHBondContact O-N 2.84Å; Y166-A168 VanDerWaalsContact C-N 3.25Å; Y166-A168 PolarHBondContact O-N 2.85Å; Y166-Q169 PolarHBondContact O-N 2.8Å
167A80.7Confident74Confident45 Ų4575.1 Ų75.137%0.37242%0.419SS..Hα-helixtrans-68.2-23.9178.400000113.5P110 Q163 Q169P110-A167 HydrophobicContact CG-CB 3.62Å; Q163-A167 WeakPolarHBondContact O-CB 3.36Å; Q163-A167 PolarHBondContact O-N 2.93Å; Q163-A167 VanDerWaalsContact O-N 3.08Å; A167-Q169 VanDerWaalsContact C-N 3.32Å
168A71Confident71.5Confident76 Ų7680.4 Ų80.463%0.62846%0.456SS*.THydrogen-bonded Turntrans-79.6-11.6176.600000113.6M164 D165 Y166M164-A168 WeakPolarHBondContact O-CB 3.48Å; M164-A168 PolarHBondContact O-N 2.81Å; M164-A168 VanDerWaalsContact O-N 3.11Å; D165-A168 PolarHBondContact O-N 3.1Å; Y166-A168 VanDerWaalsContact C-N 3.25Å; Y166-A168 PolarHBondContact O-N 2.85Å
169Q61.3Low69.1Low112 Ų11284.7 Ų84.752%0.52349%0.485SS..SBendtrans-78.7126.1175.7-65.1-174.631.900109.5Y166 A167 D171Y166-Q169 PolarHBondContact O-N 2.8Å; A167-Q169 VanDerWaalsContact C-N 3.32Å; Q169-D171 PolarHBondContact O-N 2.8Å
170P52.8Low66.8Low113 Ų11388.9 Ų88.973%0.73452%0.517SS*.  trans-60.5133.8169.724.7-30.5000108.4K172P170-K172 PolarHBondContact O-N 2.54Å
171D52.1Low64.3Low105 Ų10597 Ų9756%0.56156%0.56SS**  trans-52.4112.4173.4-82.5-41.6000107.6K108 Q169 D173 D174K108-D171 IonicContact NZ-OD1 2.73Å; K108-D171 PolarHBondContact NZ-OD1 2.88Å; K108-D171 VanDerWaalsContact NZ-OD1 3.09Å; K108-D171 IonicContact NZ-OD2 3.09Å; K108-D171 PolarHBondContact NZ-OD2 3.04Å; Q169-D171 PolarHBondContact O-N 2.8Å; D171-D173 PolarHBondContact O-N 3.17Å; D171-D174 PolarHBondContact O-N 3.01Å
172K47.9Very low62Low189 Ų189104.7 Ų104.782%0.82260%0.6SS**THydrogen-bonded Turntrans-67.2-3.4179.1-77-177.2177.6173.60112.8P170P170-K172 PolarHBondContact O-N 2.54Å
173D48Very low59.4Low149 Ų149114.9 Ų114.980%0.79765%0.65SS**THydrogen-bonded Turntrans-109.912.6-175.9-65.7-42.9000113.7D171 P175D171-D173 PolarHBondContact O-N 3.17Å; D173-P175 WeakPolarHBondContact O-CD 3.16Å
174D43.3Very low57.6Low104 Ų104118.4 Ų118.456%0.55667%0.671SS**  trans-78.3106.6171.3-165-10.2000110.7D171 C176D171-D174 PolarHBondContact O-N 3.01Å; D174-C176 PolarHBondContact O-N 3.46Å; D174-C176 WeakPolarHBondContact OD1-CB 3.49Å; D174-C176 PolarHBondContact OD1-N 3.15Å; D174-C176 VanDerWaalsContact OD1-N 3.09Å
175P45.3Very low55.7Low112 Ų112124.1 Ų124.173%0.72770%0.704SS**G310 helixtrans-74.3-4-178.9-8.328.3000112.2D173 C177D173-P175 WeakPolarHBondContact O-CD 3.16Å; P175-C177 VanDerWaalsContact C-N 3.29Å; P175-C177 PolarHBondContact O-N 3.32Å
176C51.6Low53.7Low103 Ų103128.8 Ų128.870%0.69673%0.732SS**G310 helixtrans-80.4-0.7-166.5-149.50000115.2D174D174-C176 PolarHBondContact O-N 3.46Å; D174-C176 WeakPolarHBondContact OD1-CB 3.49Å; D174-C176 PolarHBondContact OD1-N 3.15Å; D174-C176 VanDerWaalsContact OD1-N 3.09Å
177C47.4Very low51.9Low128 Ų128127.4 Ų127.487%0.86574%0.74SS**G310 helixtrans-10421.4179.3-88.10000115.1P175P175-C177 VanDerWaalsContact C-N 3.29Å; P175-C177 PolarHBondContact O-N 3.32Å
178S47.1Very low50Low113 Ų113132.6 Ų132.679%0.7976%0.763SS**SBendtrans-108.83.6180-56.30000116
179S47.1Very low48.7Very low103 Ų103136.3 Ų136.372%0.7277%0.772SS**  trans-14169.5-176.553.90000113.7
180C49.8Very low47.8Very low123 Ų123138.1 Ų138.183%0.83179%0.789SS**  trans-132.765153-90.20000109.2
181N46.3Very low47.4Very low170 Ų170140 Ų14091%0.90979%0.794SS**  trans-112.388.5151.7-109.5-4.1000105.9
182I48.1Very low47Very low163 Ų163142.9 Ų142.984%0.83681%0.813SS**  trans-96.4121.2162-59.6177.3000105.8
183Q41.8Very low46.9Very low258 Ų258138.7 Ų138.7100%1.20681%0.812SS**  trans-70.10179.1-161169.98.700111.7

Retrieved 183 of 183 residues in 57.4 ms (Link to these results)

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