A0A060YHK8_ONCMY Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A060YHK8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110503242, Length 182 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
1M80.1Confident94.5Very high128 Ų12842.5 Ų42.563%0.63119%0.194SC*.  0129.70-158.1178.5-95.700107.1E43 P50 V52M1-E43 HydrophobicContact SD-CG 4.16Å; M1-P50 HydrophobicContact CE-CB 3.7Å; M1-P50 VanDerWaalsContact CG-C 3.44Å; M1-P50 HydrophobicContact CG-CB 4.08Å; M1-P50 VanDerWaalsContact CG-O 3.22Å; M1-P50 WeakPolarHBondContact CG-O 3.5Å; M1-V52 HydrophobicContact CB-CG2 4.39Å; M1-V52 HydrophobicContact CG-CG2 3.84Å; M1-V52 HydrophobicContact SD-CG2 3.31Å; M1-V52 WeakPolarHBondContact SD-CG2 3.36Å
2R92.3Very high94.2Very high112 Ų11242 Ų4242%0.42321%0.209SC..EExtended strand (participates in β ladder)trans-84.4134.7-178.3-176.7165.2168.7-169.16109.4Y4 S51 V52 N165R2-Y4 HydrophobicContact CB-CE2 3.88Å; R2-Y4 VanDerWaalsContact CD-OH 3.22Å; R2-Y4 WeakPolarHBondContact CD-OH 3.32Å; R2-Y4 HydrophobicContact CG-CD2 4.44Å; R2-Y4 HydrophobicContact CG-CE1 4.1Å; R2-Y4 HydrophobicContact CG-CE2 3.76Å; R2-S51 WeakPolarHBondContact O-CA 3.07Å; R2-V52 PolarHBondContact O-N 2.99Å; R2-N165 PolarHBondContact NH1-OD1 2.88Å
3E95.8Very high94Very high97 Ų9741.4 Ų41.445%0.45322%0.22SC..EExtended strand (participates in β ladder)trans-98.3138.8178.3-53.6-168.2142.500110.3R41 V52E3-R41 IonicContact OE1-NH2 2.76Å; E3-R41 PolarHBondContact OE1-NH2 2.92Å; E3-V52 CarbonylContact C-O 3.56Å; E3-V52 WeakPolarHBondContact CA-O 3.47Å; E3-V52 HydrophobicContact CB-CB 4.44Å; E3-V52 HydrophobicContact CG-CB 4.07Å; E3-V52 HydrophobicContact CG-CG2 4.28Å
4Y97.5Very high94.1Very high6 Ų638.5 Ų38.52%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-130.5129.9-179-57.8-92.5000111R2 V52 L53 E54 V161 M164 N165R2-Y4 HydrophobicContact CB-CE2 3.88Å; R2-Y4 VanDerWaalsContact CD-OH 3.22Å; R2-Y4 WeakPolarHBondContact CD-OH 3.32Å; R2-Y4 HydrophobicContact CG-CD2 4.44Å; R2-Y4 HydrophobicContact CG-CE1 4.1Å; R2-Y4 HydrophobicContact CG-CE2 3.76Å; Y4-V52 PolarHBondContact N-O 2.65Å; Y4-L53 HydrophobicContact CD2-CD1 4.48Å; Y4-L53 WeakPolarHBondContact O-CA 3.38Å; Y4-E54 PolarHBondContact O-N 3.33Å; Y4-V161 HydrophobicContact CD2-CG1 4.18Å; Y4-V161 HydrophobicContact CD2-CG2 4.47Å; Y4-V161 HydrophobicContact CE1-CG1 4.14Å; Y4-V161 HydrophobicContact CE2-CG1 3.78Å; Y4-M164 VanDerWaalsContact CB-CE 3.48Å; Y4-M164 HydrophobicContact CD1-CB 3.89Å; Y4-M164 HydrophobicContact CD1-CE 3.68Å; Y4-M164 HydrophobicContact CD1-SD 3.91Å; Y4-M164 HydrophobicContact CE1-CB 4.13Å; Y4-M164 HydrophobicContact CG-CE 3.83Å; Y4-M164 HydrophobicContact CG-SD 4.41Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.46Å; Y4-N165 PolarHBondContact OH-ND2 2.81Å; Y4-N165 PolarHBondContact OH-OD1 2.8Å
5K97.5Very high94.2Very high99 Ų9936.9 Ų36.943%0.4320%0.201SC..EExtended strand (participates in β ladder)trans-95.8110.2176.9-64.8179.9177.3-176.40110.1E54 Q76 G77K5-E54 CarbonylContact C-O 3.59Å; K5-E54 WeakPolarHBondContact CA-O 3.25Å; K5-E54 WeakPolarHBondContact CE-OE2 3.26Å; K5-E54 HydrophobicContact CG-CB 4.34Å; K5-E54 WeakPolarHBondContact CG-OE2 3.43Å; K5-Q76 HydrophobicContact CB-CB 4.5Å; K5-Q76 HydrophobicContact CB-CG 4.27Å; K5-Q76 WeakPolarHBondContact O-CA 3.5Å; K5-Q76 WeakPolarHBondContact O-CB 3.47Å; K5-Q76 PolarHBondContact O-N 2.84Å; K5-G77 PolarHBondContact O-N 2.95Å; K5-G77 VanDerWaalsContact O-N 3.11Å
6V97.8Very high94.3Very high0 Ų035.2 Ų35.20%019%0.191CC..EExtended strand (participates in β ladder)trans-108.2135.7179.5-178.40000109.2L53 E54 I55 L56 G77 I79 I160 M164V6-L53 HydrophobicContact CG2-CD2 4.45Å; V6-L53 HydrophobicContact CG2-CG 4.41Å; V6-E54 PolarHBondContact N-O 3.03Å; V6-I55 WeakPolarHBondContact O-CA 3.49Å; V6-L56 PolarHBondContact O-N 3.22Å; V6-G77 WeakPolarHBondContact CA-O 3.32Å; V6-I79 HydrophobicContact CG1-CD1 3.66Å; V6-I79 HydrophobicContact CG1-CG1 3.79Å; V6-I160 HydrophobicContact CG1-CG1 4.28Å; V6-I160 HydrophobicContact CG1-CG2 4.21Å; V6-I160 HydrophobicContact CG2-CG1 4.45Å; V6-I160 HydrophobicContact CG2-CG2 3.98Å; V6-M164 HydrophobicContact CG2-CE 3.63Å; V6-M164 HydrophobicContact CG2-SD 4.47Å
7V97.4Very high94.3Very high3 Ų334.9 Ų34.92%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-115.4128.3174.8-170.70000108.9L9 L56 T58 G77 F78 I79V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CD2 3.95Å; V7-L9 HydrophobicContact CG1-CG 3.93Å; V7-L56 HydrophobicContact CG1-CD2 4.22Å; V7-L56 HydrophobicContact CG1-CG 4.31Å; V7-L56 HydrophobicContact CG2-CB 4.4Å; V7-L56 HydrophobicContact CG2-CD2 4.25Å; V7-T58 HydrophobicContact CG1-CG2 3.85Å; V7-G77 PolarHBondContact N-O 3.03Å; V7-F78 HydrophobicContact CB-CD1 3.99Å; V7-F78 HydrophobicContact CB-CE1 4.03Å; V7-F78 HydrophobicContact CG2-CD1 4.5Å; V7-F78 HydrophobicContact CG2-CE1 4.07Å; V7-F78 WeakPolarHBondContact O-CA 3.46Å; V7-I79 PolarHBondContact O-N 3.46Å
8V97.3Very high94.4Very high1 Ų134.4 Ų34.41%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-99.3118.6176.8-167.40000108.9K16 I55 L56 T58 I79 V81V8-K16 HydrophobicContact CB-CB 4.47Å; V8-K16 HydrophobicContact CG1-CB 3.69Å; V8-K16 HydrophobicContact CG1-CD 4.17Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V8-I55 HydrophobicContact CG2-CG2 3.76Å; V8-L56 PolarHBondContact N-O 3.15Å; V8-T58 PolarHBondContact O-OG1 3.14Å; V8-T58 VanDerWaalsContact O-OG1 3.14Å; V8-I79 HydrophobicContact CG1-CB 4.37Å; V8-I79 HydrophobicContact CG1-CG2 4.36Å; V8-I79 HydrophobicContact CG2-CB 4.47Å; V8-I79 HydrophobicContact CG2-CD1 4.38Å; V8-V81 HydrophobicContact CG1-CG2 3.69Å
9L95.2Very high94.5Very high6 Ų632.7 Ų32.73%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-124.5155-174.8-64.9171.1000110.9V7 K16 T58 I72 F78 I79 L80 V81 I100V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CD2 3.95Å; V7-L9 HydrophobicContact CG1-CG 3.93Å; L9-K16 VanDerWaalsContact C-CD 3.5Å; L9-T58 HydrophobicContact CD2-CG2 3.98Å; L9-I72 HydrophobicContact CD1-CG1 4.39Å; L9-F78 HydrophobicContact CD1-CD1 3.92Å; L9-I79 PolarHBondContact N-O 3.43Å; L9-L80 HydrophobicContact CB-CD2 4.43Å; L9-V81 PolarHBondContact O-N 2.98Å; L9-I100 HydrophobicContact CD1-CD1 3.72Å; L9-I100 HydrophobicContact CD1-CG1 4.08Å
10G95Very high94.6Very high3 Ų331.1 Ų31.13%0.03118%0.175CC..  trans148.4163-175.500000112.2K16 G60 V81 M96G10-K16 PolarHBondContact O-NZ 2.94Å; G10-G60 WeakPolarHBondContact O-CA 3.39Å; G10-V81 VanDerWaalsContact CA-O 3.26Å; G10-V81 WeakPolarHBondContact CA-O 3.42Å; G10-M96 VanDerWaalsContact CA-SD 3.59Å
11S93.3Very high94.6Very high13 Ų1330.5 Ų30.59%0.09117%0.172CC..SBendtrans-60.7168.6-176.9-54.70000112.9V14 K16 D92S11-V14 VanDerWaalsContact O-CG2 3.25Å; S11-V14 WeakPolarHBondContact O-CG2 3.32Å; S11-K16 PolarHBondContact O-NZ 3.39Å; S11-D92 VanDerWaalsContact OG-CB 3.25Å; S11-D92 WeakPolarHBondContact OG-CB 3.39Å; S11-D92 PolarHBondContact OG-OD2 2.9Å
12G91.3Very high95.3Very high36 Ų3624.9 Ų24.937%0.37115%0.145SC..THydrogen-bonded Turntrans-57.4141.9173.300000111.9V14 G60G12-V14 PolarHBondContact O-N 3.33Å; G12-V14 VanDerWaalsContact O-N 3.15Å; G12-G60 PolarHBondContact N-O 3.15Å; G12-G60 VanDerWaalsContact N-O 3.17Å
13G91.8Very high95.6Very high34 Ų3419.8 Ų19.835%0.35113%0.125SC..THydrogen-bonded Turntrans71.13.8173.400000117G15 K117G13-G15 PolarHBondContact O-N 3.43Å; G13-K117 WeakPolarHBondContact O-CE 3.34Å; G13-K117 PolarHBondContact O-NZ 3.32Å
14V95.6Very high95.6Very high1 Ų117.1 Ų17.11%0.00612%0.116CC..SBendtrans-72.7-16.1178.2-56.90000113.6S11 G12 K16 V81 N116S11-V14 VanDerWaalsContact O-CG2 3.25Å; S11-V14 WeakPolarHBondContact O-CG2 3.32Å; G12-V14 PolarHBondContact O-N 3.33Å; G12-V14 VanDerWaalsContact O-N 3.15Å; V14-K16 HydrophobicContact CG2-CD 4.36Å; V14-K16 HydrophobicContact CG2-CG 3.66Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4.03Å; V14-V81 HydrophobicContact CG2-CG1 3.88Å; V14-N116 PolarHBondContact O-ND2 2.93Å
15G95.3Very high95.3Very high15 Ų1520.6 Ų20.616%0.15514%0.137CC..SBendtrans99.528.117600000115.5G13 A18 L19G13-G15 PolarHBondContact O-N 3.43Å; G15-A18 PolarHBondContact O-N 3.43Å; G15-L19 WeakPolarHBondContact O-CG 3.45Å; G15-L19 PolarHBondContact O-N 3.24Å
16K95.6Very high95Very high9 Ų918 Ų184%0.03914%0.138CC..Hα-helixtrans-54.9-56.4174-56.6-172.7-61.5-72.90112V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 G60 V81V8-K16 HydrophobicContact CB-CB 4.47Å; V8-K16 HydrophobicContact CG1-CB 3.69Å; V8-K16 HydrophobicContact CG1-CD 4.17Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; L9-K16 VanDerWaalsContact C-CD 3.5Å; G10-K16 PolarHBondContact O-NZ 2.94Å; S11-K16 PolarHBondContact O-NZ 3.39Å; V14-K16 HydrophobicContact CG2-CD 4.36Å; V14-K16 HydrophobicContact CG2-CG 3.66Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.9Å; K16-L19 PolarHBondContact O-N 3.5Å; K16-L19 VanDerWaalsContact O-N 3.16Å; K16-T20 PolarHBondContact O-N 3.2Å; K16-T20 PolarHBondContact O-OG1 3.21Å; K16-T20 VanDerWaalsContact O-OG1 3.13Å; K16-D57 VanDerWaalsContact CB-OD1 3.23Å; K16-D57 WeakPolarHBondContact CB-OD1 3.34Å; K16-T58 WeakPolarHBondContact CE-O 3.35Å; K16-G60 VanDerWaalsContact NZ-CA 3.27Å; K16-V81 HydrophobicContact CG-CB 4.23Å; K16-V81 HydrophobicContact CG-CG2 4.35Å
17S94.6Very high94.4Very high30 Ų3021.1 Ų21.121%0.2116%0.16CC..Hα-helixtrans-60.5-39.6176.9-36.40000111.9L19 T20 V21 T35 D57S17-L19 PolarHBondContact O-N 3.49Å; S17-T20 PolarHBondContact O-N 3.16Å; S17-V21 VanDerWaalsContact O-CB 3.28Å; S17-V21 WeakPolarHBondContact O-CB 3.47Å; S17-V21 VanDerWaalsContact O-CG2 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.49Å; S17-V21 PolarHBondContact O-N 2.69Å; S17-T35 PolarHBondContact OG-OG1 3.41Å; S17-D57 WeakPolarHBondContact CA-OD2 3.48Å; S17-D57 WeakPolarHBondContact CB-OD2 3.32Å; S17-D57 PolarHBondContact N-OD1 3.22Å; S17-D57 PolarHBondContact OG-OD2 3.04Å
18A95.2Very high93.6Very high27 Ų2724.6 Ų24.622%0.22318%0.175CC..Hα-helixtrans-63.1-42.6176.900000112G15 K16 Q22 F28 A147G15-A18 PolarHBondContact O-N 3.43Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.9Å; A18-Q22 WeakPolarHBondContact O-CB 3.35Å; A18-Q22 PolarHBondContact O-N 3.03Å; A18-F28 HydrophobicContact CB-CD2 4.42Å; A18-F28 HydrophobicContact CB-CE2 3.97Å; A18-A147 HydrophobicContact CB-CB 3.68Å
19L97.4Very high92.8Very high1 Ų129.7 Ų29.71%0.00520%0.202CC..Hα-helixtrans-64.2-46.9174.5-73.3170.2000111.3G15 K16 S17 Q22 F23 V81 V114 N116 A147 V153 L156G15-L19 WeakPolarHBondContact O-CG 3.45Å; G15-L19 PolarHBondContact O-N 3.24Å; K16-L19 PolarHBondContact O-N 3.5Å; K16-L19 VanDerWaalsContact O-N 3.16Å; S17-L19 PolarHBondContact O-N 3.49Å; L19-Q22 PolarHBondContact O-N 2.92Å; L19-F23 WeakPolarHBondContact O-CB 3.17Å; L19-F23 PolarHBondContact O-N 3.23Å; L19-V81 HydrophobicContact CD1-CG1 3.93Å; L19-V81 HydrophobicContact CD1-CG2 4.07Å; L19-V114 HydrophobicContact CD1-CG1 4.36Å; L19-N116 HydrophobicContact CD1-CB 4.33Å; L19-A147 HydrophobicContact CD2-CB 3.92Å; L19-A147 HydrophobicContact CG-CB 4.18Å; L19-V153 HydrophobicContact CD2-CG2 3.87Å; L19-L156 HydrophobicContact CD1-CD2 4.24Å
20T96.3Very high91.7Very high0 Ų037.3 Ų37.30%024%0.237CC..Hα-helixtrans-63.3-48.9-179.3-580000111.8K16 S17 F23 V24 Y40 I55K16-T20 PolarHBondContact O-N 3.2Å; K16-T20 PolarHBondContact O-OG1 3.21Å; K16-T20 VanDerWaalsContact O-OG1 3.13Å; S17-T20 PolarHBondContact O-N 3.16Å; T20-F23 PolarHBondContact O-N 2.81Å; T20-V24 HydrophobicContact CG2-CG2 4.33Å; T20-V24 WeakPolarHBondContact O-CB 3.38Å; T20-V24 WeakPolarHBondContact O-CG2 3.44Å; T20-V24 PolarHBondContact O-N 2.75Å; T20-Y40 HydrophobicContact CG2-CD2 3.3Å; T20-Y40 HydrophobicContact CG2-CE2 3.68Å; T20-Y40 HydrophobicContact CG2-CG 3.77Å; T20-I55 HydrophobicContact CG2-CB 4.27Å; T20-I55 HydrophobicContact CG2-CD1 4.41Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å
21V94.4Very high90.8Very high20 Ų2046.1 Ų46.112%0.12127%0.274CS..Hα-helixtrans-65-41.8178.1172.20000110.8S17 F23 V24 T25 I29 Y40S17-V21 VanDerWaalsContact O-CB 3.28Å; S17-V21 WeakPolarHBondContact O-CB 3.47Å; S17-V21 VanDerWaalsContact O-CG2 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.49Å; S17-V21 PolarHBondContact O-N 2.69Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.28Å; V21-V24 PolarHBondContact O-N 3.4Å; V21-T25 HydrophobicContact CG1-CG2 4.21Å; V21-T25 WeakPolarHBondContact O-CB 3.39Å; V21-T25 PolarHBondContact O-N 2.8Å; V21-T25 PolarHBondContact O-OG1 2.82Å; V21-I29 HydrophobicContact CG1-CD1 4.06Å; V21-I29 HydrophobicContact CG1-CG1 4.39Å; V21-Y40 HydrophobicContact CG2-CE1 4.3Å
22Q95.8Very high89.5Confident10 Ų1052.7 Ų52.75%0.04730%0.299CS..Hα-helixtrans-62.6-40.8177.2-179.170.4-48.800111.2A18 L19 G26 S27 A147 K150 V153A18-Q22 WeakPolarHBondContact O-CB 3.35Å; A18-Q22 PolarHBondContact O-N 3.03Å; L19-Q22 PolarHBondContact O-N 2.92Å; Q22-G26 WeakPolarHBondContact O-CA 3.37Å; Q22-G26 PolarHBondContact O-N 3.23Å; Q22-G26 PolarHBondContact OE1-O 3.03Å; Q22-S27 VanDerWaalsContact OE1-CA 3.31Å; Q22-S27 PolarHBondContact OE1-O 3.11Å; Q22-A147 WeakPolarHBondContact CG-O 3.42Å; Q22-A147 PolarHBondContact NE2-O 2.82Å; Q22-K150 HydrophobicContact CG-CB 4.28Å; Q22-K150 HydrophobicContact CG-CG 3.93Å; Q22-V153 HydrophobicContact CB-CG1 4.46Å; Q22-V153 HydrophobicContact CG-CG1 4.29Å; Q22-V153 HydrophobicContact CG-CG2 4.28Å
23F97.1Very high88.6Confident5 Ų557.3 Ų57.32%0.02232%0.315CS..Hα-helixtrans-64.6-48.4173.8177.1-114.3000111.7L19 T20 V21 K42 I44 L53 I55 V153 D154 F157L19-F23 WeakPolarHBondContact O-CB 3.17Å; L19-F23 PolarHBondContact O-N 3.23Å; T20-F23 PolarHBondContact O-N 2.81Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.28Å; F23-K42 HydrophobicContact CD1-CD 4.03Å; F23-K42 HydrophobicContact CE1-CB 4.22Å; F23-K42 HydrophobicContact CE1-CD 3.72Å; F23-K42 HydrophobicContact CE1-CG 4.31Å; F23-K42 HydrophobicContact CE2-CD 4.45Å; F23-K42 HydrophobicContact CZ-CD 3.98Å; F23-K42 PolarHBondContact O-NZ 3.07Å; F23-I44 HydrophobicContact CE1-CG2 4.43Å; F23-I44 HydrophobicContact CE2-CG2 4.24Å; F23-I44 HydrophobicContact CZ-CD1 4.32Å; F23-I44 HydrophobicContact CZ-CG2 3.58Å; F23-L53 HydrophobicContact CE1-CD2 4.21Å; F23-L53 HydrophobicContact CZ-CD2 4.28Å; F23-I55 HydrophobicContact CD1-CD1 3.59Å; F23-I55 HydrophobicContact CE1-CD1 3.71Å; F23-V153 HydrophobicContact CB-CG1 3.81Å; F23-D154 WeakPolarHBondContact CD2-OD1 3.5Å; F23-F157 HydrophobicContact CB-CD2 3.57Å; F23-F157 HydrophobicContact CB-CE2 3.41Å; F23-F157 VanDerWaalsContact CB-CE2 3.41Å; F23-F157 HydrophobicContact CB-CG 4.45Å; F23-F157 HydrophobicContact CB-CZ 4.17Å; F23-F157 HydrophobicContact CD1-CB 4.24Å; F23-F157 HydrophobicContact CD1-CD1 4.03Å; F23-F157 AromaticContact CD1-CD2 3.71Å; F23-F157 HydrophobicContact CD1-CD2 3.71Å; F23-F157 HydrophobicContact CD1-CE1 4.31Å; F23-F157 HydrophobicContact CD1-CE2 4.02Å; F23-F157 AromaticContact CD1-CG 3.73Å; F23-F157 HydrophobicContact CD1-CG 3.73Å; F23-F157 HydrophobicContact CD1-CZ 4.3Å; F23-F157 HydrophobicContact CD2-CB 3.94Å; F23-F157 AromaticContact CD2-CD2 3.5Å; F23-F157 HydrophobicContact CD2-CD2 3.5Å; F23-F157 VanDerWaalsContact CD2-CD2 3.5Å; F23-F157 HydrophobicContact CD2-CE2 4.26Å; F23-F157 AromaticContact CD2-CG 3.91Å; F23-F157 HydrophobicContact CD2-CG 3.91Å; F23-F157 HydrophobicContact CE1-CB 3.85Å; F23-F157 HydrophobicContact CE1-CD1 4.07Å; F23-F157 HydrophobicContact CE1-CD2 4.2Å; F23-F157 AromaticContact CE1-CG 3.78Å; F23-F157 HydrophobicContact CE1-CG 3.78Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 HydrophobicContact CE2-CD2 4.02Å; F23-F157 AromaticContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CG-CB 4.27Å; F23-F157 HydrophobicContact CG-CD1 4.46Å; F23-F157 AromaticContact CG-CD2 3.3Å; F23-F157 HydrophobicContact CG-CD2 3.3Å; F23-F157 AromaticContact CG-CE2 3.66Å; F23-F157 HydrophobicContact CG-CE2 3.66Å; F23-F157 AromaticContact CG-CG 3.77Å; F23-F157 HydrophobicContact CG-CG 3.77Å; F23-F157 HydrophobicContact CG-CZ 4.36Å; F23-F157 HydrophobicContact CZ-CB 3.42Å; F23-F157 VanDerWaalsContact CZ-CB 3.42Å; F23-F157 HydrophobicContact CZ-CD2 4.31Å; F23-F157 AromaticContact CZ-CG 3.86Å; F23-F157 HydrophobicContact CZ-CG 3.86Å
24V95.3Very high87.8Confident41 Ų4159.7 Ų59.725%0.24832%0.324CS..Hα-helixtrans-72.7-42.1-172.4174.30000112.2T20 V21 Y40 I55T20-V24 HydrophobicContact CG2-CG2 4.33Å; T20-V24 WeakPolarHBondContact O-CB 3.38Å; T20-V24 WeakPolarHBondContact O-CG2 3.44Å; T20-V24 PolarHBondContact O-N 2.75Å; V21-V24 PolarHBondContact O-N 3.4Å; V24-Y40 HydrophobicContact CB-CD1 4.4Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CG 4.15Å; V24-I55 HydrophobicContact CG2-CD1 4.26Å
25T91.8Very high86.8Confident78 Ų7860.7 Ų60.748%0.47933%0.33SS..Hα-helixtrans-109-14-169.271.40000113.9V21 S27V21-T25 HydrophobicContact CG1-CG2 4.21Å; V21-T25 WeakPolarHBondContact O-CB 3.39Å; V21-T25 PolarHBondContact O-N 2.8Å; V21-T25 PolarHBondContact O-OG1 2.82Å; T25-S27 PolarHBondContact O-N 2.94Å; T25-S27 PolarHBondContact OG1-N 3.19Å
26G90.7Very high85.8Confident44 Ų4465.8 Ų65.845%0.45435%0.352SS..SBendtrans66.912.8-171.800000114.2Q22Q22-G26 WeakPolarHBondContact O-CA 3.37Å; Q22-G26 PolarHBondContact O-N 3.23Å; Q22-G26 PolarHBondContact OE1-O 3.03Å
27S85.5Confident85Confident66 Ų6668.1 Ų68.146%0.46236%0.364SS..  trans-120.1141.6-179.9-61.10000111.8Q22 T25Q22-S27 VanDerWaalsContact OE1-CA 3.31Å; Q22-S27 PolarHBondContact OE1-O 3.11Å; T25-S27 PolarHBondContact O-N 2.94Å; T25-S27 PolarHBondContact OG1-N 3.19Å
28F81.8Confident84.8Confident76 Ų7670 Ų7033%0.33337%0.371SS..  trans-99.4126.2171.1-179-104000110A18 E30 A147 K148A18-F28 HydrophobicContact CB-CD2 4.42Å; A18-F28 HydrophobicContact CB-CE2 3.97Å; F28-E30 HydrophobicContact CD1-CG 4.06Å; F28-E30 HydrophobicContact CE1-CG 3.76Å; F28-A147 HydrophobicContact CD2-CB 4.18Å; F28-A147 HydrophobicContact CE2-CB 4.08Å; F28-K148 HydrophobicContact CD1-CG 4.25Å; F28-K148 HydrophobicContact CD2-CB 4.46Å; F28-K148 HydrophobicContact CE1-CB 4.31Å; F28-K148 HydrophobicContact CE1-CG 4.07Å; F28-K148 HydrophobicContact CE2-CB 4.22Å; F28-K148 HydrophobicContact CZ-CB 4.15Å; F28-K148 HydrophobicContact CZ-CG 4.38Å
29I78.9Confident84.6Confident109 Ų10975.7 Ų75.756%0.55939%0.391SS*.  trans-103.4115.4177.1-58177000108V21 K31V21-I29 HydrophobicContact CG1-CD1 4.06Å; V21-I29 HydrophobicContact CG1-CG1 4.39Å; I29-K31 VanDerWaalsContact C-N 3.3Å; I29-K31 HydrophobicContact CG2-CB 4.3Å; I29-K31 PolarHBondContact O-N 3.05Å
30E73.9Confident84.5Confident166 Ų16678.4 Ų78.478%0.77640%0.402SS*.  trans-70.1-25.6-179.4-75.2-175.1167.800113.5F28 Y32F28-E30 HydrophobicContact CD1-CG 4.06Å; F28-E30 HydrophobicContact CE1-CG 3.76Å; E30-Y32 PolarHBondContact O-N 2.81Å
31K74.6Confident84.5Confident187 Ų18785 Ų8581%0.81343%0.426SS*.SBendtrans-75122.7-179.8-67.7-172.5179.7-178.90110.2I29I29-K31 VanDerWaalsContact C-N 3.3Å; I29-K31 HydrophobicContact CG2-CB 4.3Å; I29-K31 PolarHBondContact O-N 3.05Å
32Y66.3Low84.6Confident152 Ų15286.5 Ų86.560%0.59643%0.432SS*.  trans-83.9114.2172.5-177.7-107.4000110.1E30 P34E30-Y32 PolarHBondContact O-N 2.81Å; Y32-P34 HydrophobicContact CD1-CG 4.33Å; Y32-P34 HydrophobicContact CE1-CB 4.3Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
33D72.1Confident84.7Confident133 Ų13391.9 Ų91.971%0.71146%0.457SS*.  trans-109.1120.6164-1641.2000107.7T35D33-T35 PolarHBondContact O-N 2.76Å; D33-T35 VanDerWaalsContact O-N 3.11Å
34P75.3Confident84.7Confident83 Ų8393.1 Ų93.154%0.53946%0.463SS..  trans-58.4115.3-180-22.831.8000112.4Y32Y32-P34 HydrophobicContact CD1-CG 4.33Å; Y32-P34 HydrophobicContact CE1-CB 4.3Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
35T75.8Confident84.7Confident22 Ų2297.8 Ų97.814%0.13548%0.482CS..  trans-68139.4175.5-56.80000112S17 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 3.41Å; D33-T35 PolarHBondContact O-N 2.76Å; D33-T35 VanDerWaalsContact O-N 3.11Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.35Å; T35-A59 VanDerWaalsContact O-CA 3.27Å; T35-A59 WeakPolarHBondContact O-CA 3.3Å; T35-A59 WeakPolarHBondContact O-CB 3.39Å
36I74.2Confident84.9Confident123 Ų12394.3 Ų94.363%0.63146%0.461SS*.SBendtrans-94-63.9164.9-60.7176.3000108.3A59I36-A59 VanDerWaalsContact O-CB 3.32Å; I36-A59 WeakPolarHBondContact O-CB 3.21Å; I36-A59 PolarHBondContact O-N 3.4Å
37E79Confident85Confident58 Ų5897 Ų9727%0.27147%0.465SS..EExtended strand (participates in β ladder)trans-163.3128.8175161.6168.1-153.100107.5F39 L56 D57 Y71E37-F39 HydrophobicContact CG-CD2 4.27Å; E37-F39 HydrophobicContact CG-CE2 3.82Å; E37-F39 HydrophobicContact CG-CZ 4.44Å; E37-F39 WeakPolarHBondContact OE1-CE2 3.48Å; E37-F39 WeakPolarHBondContact OE1-CZ 3.12Å; E37-L56 HydrophobicContact CG-CD1 3.56Å; E37-L56 VanDerWaalsContact OE1-CD1 3.25Å; E37-L56 WeakPolarHBondContact OE1-CD1 3.31Å; E37-D57 WeakPolarHBondContact CA-O 3.47Å; E37-Y71 VanDerWaalsContact CD-CE1 3.47Å; E37-Y71 VanDerWaalsContact CD-OH 3.27Å; E37-Y71 WeakPolarHBondContact OE1-CE1 3.39Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.36Å; E37-Y71 VanDerWaalsContact OE2-CZ 3.27Å; E37-Y71 PolarHBondContact OE2-OH 2.8Å
38D89.1Confident85.4Confident69 Ų6998.6 Ų98.637%0.36948%0.476SS..EExtended strand (participates in β ladder)trans-131.8136.7175.3-73.8-56.4000110.8T35 Y40 D57T35-D38 WeakPolarHBondContact CG2-OD2 3.35Å; D38-Y40 HydrophobicContact CB-CD2 4.35Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; D38-D57 HydrophobicContact CB-CB 4.44Å; D38-D57 PolarHBondContact N-O 3.14Å; D38-D57 PolarHBondContact O-N 3.02Å
39F91.9Very high85.9Confident147 Ų14798 Ų9865%0.64548%0.481SS*.EExtended strand (participates in β ladder)trans-105.4128.2177-73.7-83.5000110.9E37 L56E37-F39 HydrophobicContact CG-CD2 4.27Å; E37-F39 HydrophobicContact CG-CE2 3.82Å; E37-F39 HydrophobicContact CG-CZ 4.44Å; E37-F39 WeakPolarHBondContact OE1-CE2 3.48Å; E37-F39 WeakPolarHBondContact OE1-CZ 3.12Å; F39-L56 HydrophobicContact CD1-CB 4.4Å; F39-L56 HydrophobicContact CD1-CD1 4.13Å; F39-L56 HydrophobicContact CE1-CB 4.16Å; F39-L56 HydrophobicContact CE1-CD1 3.72Å; F39-L56 HydrophobicContact CE1-CD2 4.33Å; F39-L56 HydrophobicContact CE1-CG 4.28Å; F39-L56 HydrophobicContact CE2-CD1 4.15Å; F39-L56 HydrophobicContact CZ-CD1 3.73Å; F39-L56 HydrophobicContact CZ-CD2 4.49Å
40Y95.1Very high86.7Confident57 Ų5796.3 Ų96.322%0.22448%0.477CS..EExtended strand (participates in β ladder)trans-122.7149.5174.6-58.1-92.3000110.5T20 V21 V24 D38 E54 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.3Å; T20-Y40 HydrophobicContact CG2-CE2 3.68Å; T20-Y40 HydrophobicContact CG2-CG 3.77Å; V21-Y40 HydrophobicContact CG2-CE1 4.3Å; V24-Y40 HydrophobicContact CB-CD1 4.4Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CG 4.15Å; D38-Y40 HydrophobicContact CB-CD2 4.35Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; Y40-E54 CarbonylContact O-C 3.58Å; Y40-E54 WeakPolarHBondContact O-CA 3.34Å; Y40-I55 PolarHBondContact N-O 3.43Å; Y40-I55 PolarHBondContact O-N 3.23Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å
41R96.5Very high87.8Confident138 Ų13888.5 Ų88.552%0.52144%0.441SS..EExtended strand (participates in β ladder)trans-131.2129.8175.2-168.1173.4-177-98.41.8109.3E3 V52 L53E3-R41 IonicContact OE1-NH2 2.76Å; E3-R41 PolarHBondContact OE1-NH2 2.92Å; R41-V52 HydrophobicContact CG-CG1 3.67Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.25Å
42K96.7Very high88.9Confident53 Ų5379.7 Ų79.723%0.2340%0.403CS..EExtended strand (participates in β ladder)trans-141.5133.7177.1-178.5168.2170.5-162.70111.3F23 I44 L53F23-K42 HydrophobicContact CD1-CD 4.03Å; F23-K42 HydrophobicContact CE1-CB 4.22Å; F23-K42 HydrophobicContact CE1-CD 3.72Å; F23-K42 HydrophobicContact CE1-CG 4.31Å; F23-K42 HydrophobicContact CE2-CD 4.45Å; F23-K42 HydrophobicContact CZ-CD 3.98Å; F23-K42 PolarHBondContact O-NZ 3.07Å; K42-I44 HydrophobicContact CD-CG2 4.26Å; K42-I44 HydrophobicContact CG-CG2 3.98Å; K42-L53 PolarHBondContact N-O 3.12Å; K42-L53 PolarHBondContact O-N 2.76Å
43E97.6Very high90.4Very high123 Ų12372.5 Ų72.558%0.57538%0.375SS*.EExtended strand (participates in β ladder)trans-81.5133.4168.1-59.3-171.217700109.4M1 S51 V52M1-E43 HydrophobicContact SD-CG 4.16Å; E43-S51 WeakPolarHBondContact CA-O 3.42Å; E43-V52 HydrophobicContact CG-CG2 4.37Å
44I96.4Very high91.6Very high30 Ų3069 Ų6915%0.15435%0.354CS..EExtended strand (participates in β ladder)trans-139.2165.2175.666.1174.1000110.9F23 K42 V46 S51 L53 V161F23-I44 HydrophobicContact CE1-CG2 4.43Å; F23-I44 HydrophobicContact CE2-CG2 4.24Å; F23-I44 HydrophobicContact CZ-CD1 4.32Å; F23-I44 HydrophobicContact CZ-CG2 3.58Å; K42-I44 HydrophobicContact CD-CG2 4.26Å; K42-I44 HydrophobicContact CG-CG2 3.98Å; I44-V46 HydrophobicContact CD1-CG2 3.42Å; I44-V46 VanDerWaalsContact CD1-CG2 3.42Å; I44-V46 HydrophobicContact CG1-CG2 3.89Å; I44-S51 PolarHBondContact N-O 3.47Å; I44-S51 PolarHBondContact O-N 3.17Å; I44-S51 VanDerWaalsContact O-O 3.04Å; I44-L53 HydrophobicContact CD1-CD1 3.4Å; I44-L53 HydrophobicContact CD1-CD2 3.9Å; I44-L53 HydrophobicContact CD1-CG 4.28Å; I44-L53 HydrophobicContact CG1-CD1 3.64Å; I44-V161 HydrophobicContact CD1-CG2 4.3Å
45E95.8Very high92.7Very high140 Ų14065 Ų6565%0.65433%0.329SS*.EExtended strand (participates in β ladder)trans-109.7123.9167.9-169.6178.5127.700108.7S48E45-S48 WeakPolarHBondContact OE1-CA 3.34Å
46V95.6Very high93.6Very high4 Ų464.6 Ų64.62%0.02433%0.325CS..EExtended strand (participates in β ladder)trans-122.7121.9175.3-178.50000107.5I44 S48 S49 A158 V161 R162I44-V46 HydrophobicContact CD1-CG2 3.42Å; I44-V46 VanDerWaalsContact CD1-CG2 3.42Å; I44-V46 HydrophobicContact CG1-CG2 3.89Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 3.3Å; V46-S49 PolarHBondContact N-O 3.43Å; V46-S49 VanDerWaalsContact N-O 3.1Å; V46-S49 WeakPolarHBondContact O-CA 3.4Å; V46-S49 VanDerWaalsContact O-CB 3.3Å; V46-S49 WeakPolarHBondContact O-CB 3.49Å; V46-S49 PolarHBondContact O-N 3.29Å; V46-A158 HydrophobicContact CG1-CB 4.42Å; V46-A158 HydrophobicContact CG2-CB 4.16Å; V46-V161 HydrophobicContact CB-CG1 4.11Å; V46-V161 HydrophobicContact CG1-CB 4.32Å; V46-V161 HydrophobicContact CG1-CG1 4.14Å; V46-V161 HydrophobicContact CG2-CB 4.06Å; V46-V161 HydrophobicContact CG2-CG1 4Å; V46-V161 HydrophobicContact CG2-CG2 4.28Å; V46-R162 HydrophobicContact CG1-CG 3.82Å
47D93.9Very high94.5Very high101 Ų10158.8 Ų58.854%0.5430%0.295SS..THydrogen-bonded Turntrans49.648.1-178.8-49.9-26.5000112.1S49 R162D47-S49 PolarHBondContact O-N 2.9Å; D47-S49 VanDerWaalsContact O-N 3.1Å; D47-R162 IonicContact OD1-CZ 2.98Å; D47-R162 IonicContact OD1-NE 2.77Å; D47-R162 PolarHBondContact OD1-NE 3.11Å; D47-R162 IonicContact OD1-NH2 3.7Å; D47-R162 WeakPolarHBondContact OD2-CD 3.45Å; D47-R162 WeakPolarHBondContact OD2-CG 3.42Å; D47-R162 IonicContact OD2-NE 2.81Å; D47-R162 PolarHBondContact OD2-NE 2.83Å
48S92.6Very high94.9Very high100 Ų10056.4 Ų56.470%0.69929%0.285SS*.THydrogen-bonded Turntrans60.615.1-176.3-57.20000115.6E45 V46E45-S48 WeakPolarHBondContact OE1-CA 3.34Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 3.3Å
49S93.8Very high94.6Very high63 Ų6353.9 Ų53.944%0.44127%0.273SS..EExtended strand (participates in β ladder)trans-109.2116.3177.7-63.40000111.2V46 D47 S51V46-S49 PolarHBondContact N-O 3.43Å; V46-S49 VanDerWaalsContact N-O 3.1Å; V46-S49 WeakPolarHBondContact O-CA 3.4Å; V46-S49 VanDerWaalsContact O-CB 3.3Å; V46-S49 WeakPolarHBondContact O-CB 3.49Å; V46-S49 PolarHBondContact O-N 3.29Å; D47-S49 PolarHBondContact O-N 2.9Å; D47-S49 VanDerWaalsContact O-N 3.1Å; S49-S51 PolarHBondContact O-N 3.09Å; S49-S51 PolarHBondContact O-OG 2.94Å
50P95.7Very high93.4Very high73 Ų7347.8 Ų47.847%0.47425%0.252SS..EExtended strand (participates in β ladder)trans-66.5128.8178.126.7-33.6000110.8M1M1-P50 HydrophobicContact CE-CB 3.7Å; M1-P50 VanDerWaalsContact CG-C 3.44Å; M1-P50 HydrophobicContact CG-CB 4.08Å; M1-P50 VanDerWaalsContact CG-O 3.22Å; M1-P50 WeakPolarHBondContact CG-O 3.5Å
51S96.3Very high91.9Very high2 Ų248 Ų481%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-138.2149-170.6-630000111.2R2 E43 I44 S49R2-S51 WeakPolarHBondContact O-CA 3.07Å; E43-S51 WeakPolarHBondContact CA-O 3.42Å; I44-S51 PolarHBondContact N-O 3.47Å; I44-S51 PolarHBondContact O-N 3.17Å; I44-S51 VanDerWaalsContact O-O 3.04Å; S49-S51 PolarHBondContact O-N 3.09Å; S49-S51 PolarHBondContact O-OG 2.94Å
52V97.4Very high90.2Very high3 Ų348.6 Ų48.62%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-111.6128.9171.1-174.70000108.6M1 R2 E3 Y4 R41 E43M1-V52 HydrophobicContact CB-CG2 4.39Å; M1-V52 HydrophobicContact CG-CG2 3.84Å; M1-V52 HydrophobicContact SD-CG2 3.31Å; M1-V52 WeakPolarHBondContact SD-CG2 3.36Å; R2-V52 PolarHBondContact O-N 2.99Å; E3-V52 CarbonylContact C-O 3.56Å; E3-V52 WeakPolarHBondContact CA-O 3.47Å; E3-V52 HydrophobicContact CB-CB 4.44Å; E3-V52 HydrophobicContact CG-CB 4.07Å; E3-V52 HydrophobicContact CG-CG2 4.28Å; Y4-V52 PolarHBondContact N-O 2.65Å; R41-V52 HydrophobicContact CG-CG1 3.67Å; E43-V52 HydrophobicContact CG-CG2 4.37Å
53L97.6Very high88.5Confident0 Ų053.5 Ų53.50%029%0.292CS..EExtended strand (participates in β ladder)trans-102.7125.2170.3-82.760.7000109.1Y4 V6 F23 R41 K42 I44 I55 F157 V161Y4-L53 HydrophobicContact CD2-CD1 4.48Å; Y4-L53 WeakPolarHBondContact O-CA 3.38Å; V6-L53 HydrophobicContact CG2-CD2 4.45Å; V6-L53 HydrophobicContact CG2-CG 4.41Å; F23-L53 HydrophobicContact CE1-CD2 4.21Å; F23-L53 HydrophobicContact CZ-CD2 4.28Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.25Å; K42-L53 PolarHBondContact N-O 3.12Å; K42-L53 PolarHBondContact O-N 2.76Å; I44-L53 HydrophobicContact CD1-CD1 3.4Å; I44-L53 HydrophobicContact CD1-CD2 3.9Å; I44-L53 HydrophobicContact CD1-CG 4.28Å; I44-L53 HydrophobicContact CG1-CD1 3.64Å; L53-I55 HydrophobicContact CB-CD1 4.44Å; L53-I55 HydrophobicContact CB-CG1 4.06Å; L53-F157 HydrophobicContact CD2-CB 4.01Å; L53-F157 HydrophobicContact CD2-CD1 4.12Å; L53-V161 HydrophobicContact CD1-CG2 3.57Å; L53-V161 HydrophobicContact CD2-CG2 4.02Å; L53-V161 HydrophobicContact CG-CG2 4Å
54E97.8Very high86.9Confident60 Ų6051.5 Ų51.528%0.2828%0.282SS..EExtended strand (participates in β ladder)trans-97.5108.6162.2-61.5-173.6153.400107.1Y4 K5 V6 Y40Y4-E54 PolarHBondContact O-N 3.33Å; K5-E54 CarbonylContact C-O 3.59Å; K5-E54 WeakPolarHBondContact CA-O 3.25Å; K5-E54 WeakPolarHBondContact CE-OE2 3.26Å; K5-E54 HydrophobicContact CG-CB 4.34Å; K5-E54 WeakPolarHBondContact CG-OE2 3.43Å; V6-E54 PolarHBondContact N-O 3.03Å; Y40-E54 CarbonylContact O-C 3.58Å; Y40-E54 WeakPolarHBondContact O-CA 3.34Å
55I97.9Very high85.4Confident0 Ų053 Ų530%030%0.298CS..EExtended strand (participates in β ladder)trans-104122-175.6-53.3165.4000108V6 V8 T20 F23 V24 Y40 L53 F157V6-I55 WeakPolarHBondContact O-CA 3.49Å; V8-I55 HydrophobicContact CG2-CG2 3.76Å; T20-I55 HydrophobicContact CG2-CB 4.27Å; T20-I55 HydrophobicContact CG2-CD1 4.41Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; F23-I55 HydrophobicContact CD1-CD1 3.59Å; F23-I55 HydrophobicContact CE1-CD1 3.71Å; V24-I55 HydrophobicContact CG2-CD1 4.26Å; Y40-I55 PolarHBondContact N-O 3.43Å; Y40-I55 PolarHBondContact O-N 3.23Å; L53-I55 HydrophobicContact CB-CD1 4.44Å; L53-I55 HydrophobicContact CB-CG1 4.06Å; I55-F157 HydrophobicContact CD1-CD1 3.89Å; I55-F157 HydrophobicContact CD1-CE1 3.62Å; I55-F157 HydrophobicContact CD1-CZ 4.33Å; I55-F157 HydrophobicContact CG1-CD1 4.44Å; I55-F157 HydrophobicContact CG1-CE1 4.16Å; I55-F157 HydrophobicContact CG2-CE1 4.14Å
56L95.8Very high84.2Confident13 Ų1351.2 Ų51.27%0.06830%0.301CS..EExtended strand (participates in β ladder)trans-98.9108170.5173.255.9000108.9V6 V7 V8 E37 F39 T58 Y71V6-L56 PolarHBondContact O-N 3.22Å; V7-L56 HydrophobicContact CG1-CD2 4.22Å; V7-L56 HydrophobicContact CG1-CG 4.31Å; V7-L56 HydrophobicContact CG2-CB 4.4Å; V7-L56 HydrophobicContact CG2-CD2 4.25Å; V8-L56 PolarHBondContact N-O 3.15Å; E37-L56 HydrophobicContact CG-CD1 3.56Å; E37-L56 VanDerWaalsContact OE1-CD1 3.25Å; E37-L56 WeakPolarHBondContact OE1-CD1 3.31Å; F39-L56 HydrophobicContact CD1-CB 4.4Å; F39-L56 HydrophobicContact CD1-CD1 4.13Å; F39-L56 HydrophobicContact CE1-CB 4.16Å; F39-L56 HydrophobicContact CE1-CD1 3.72Å; F39-L56 HydrophobicContact CE1-CD2 4.33Å; F39-L56 HydrophobicContact CE1-CG 4.28Å; F39-L56 HydrophobicContact CE2-CD1 4.15Å; F39-L56 HydrophobicContact CZ-CD1 3.73Å; F39-L56 HydrophobicContact CZ-CD2 4.49Å; L56-T58 HydrophobicContact CG-CG2 4.04Å; L56-Y71 HydrophobicContact CD2-CD1 3.43Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.43Å; L56-Y71 HydrophobicContact CD2-CD2 4.45Å; L56-Y71 HydrophobicContact CD2-CE1 4.19Å; L56-Y71 HydrophobicContact CD2-CG 3.58Å
57D91.9Very high83.2Confident0 Ų055 Ų550%032%0.319CS..EExtended strand (participates in β ladder)trans-88126.3169.6-176.937.7000109.4K16 S17 E37 D38 Y40K16-D57 VanDerWaalsContact CB-OD1 3.23Å; K16-D57 WeakPolarHBondContact CB-OD1 3.34Å; S17-D57 WeakPolarHBondContact CA-OD2 3.48Å; S17-D57 WeakPolarHBondContact CB-OD2 3.32Å; S17-D57 PolarHBondContact N-OD1 3.22Å; S17-D57 PolarHBondContact OG-OD2 3.04Å; E37-D57 WeakPolarHBondContact CA-O 3.47Å; D38-D57 HydrophobicContact CB-CB 4.44Å; D38-D57 PolarHBondContact N-O 3.14Å; D38-D57 PolarHBondContact O-N 3.02Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å
58T88Confident82.7Confident9 Ų951.8 Ų51.86%0.05530%0.3CS..EExtended strand (participates in β ladder)trans-110.3155.5-172.976.90000112.2V7 V8 L9 K16 L56 Y71V7-T58 HydrophobicContact CG1-CG2 3.85Å; V8-T58 PolarHBondContact O-OG1 3.14Å; V8-T58 VanDerWaalsContact O-OG1 3.14Å; L9-T58 HydrophobicContact CD2-CG2 3.98Å; K16-T58 WeakPolarHBondContact CE-O 3.35Å; L56-T58 HydrophobicContact CG-CG2 4.04Å; T58-Y71 HydrophobicContact CG2-CD2 4.28Å
59A82.4Confident82.5Confident15 Ų1550.4 Ų50.412%0.12429%0.285CS..  trans-52.714416200000111.3T35 I36 T61T35-A59 VanDerWaalsContact O-CA 3.27Å; T35-A59 WeakPolarHBondContact O-CA 3.3Å; T35-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 VanDerWaalsContact O-CB 3.32Å; I36-A59 WeakPolarHBondContact O-CB 3.21Å; I36-A59 PolarHBondContact O-N 3.4Å; A59-T61 VanDerWaalsContact C-N 3.32Å
60G67.6Low82.3Confident19 Ų1951.8 Ų51.820%0.19629%0.287CS..SBendtrans-87.95.8172.700000114.6G10 G12 K16G10-G60 WeakPolarHBondContact O-CA 3.39Å; G12-G60 PolarHBondContact N-O 3.15Å; G12-G60 VanDerWaalsContact N-O 3.17Å; K16-G60 VanDerWaalsContact NZ-CA 3.27Å
61T63.3Low82Confident63 Ų6349.6 Ų49.639%0.38727%0.269SS..SBendtrans-100.5146-175.855.70000111.5A59 Q63A59-T61 VanDerWaalsContact C-N 3.32Å; T61-Q63 PolarHBondContact O-N 2.68Å
62E61.1Low81.8Confident149 Ų14949.5 Ų49.570%0.69627%0.269SS*.G310 helixtrans-74.50.2-178.7-58.5-154.2129.100114.6F64E62-F64 PolarHBondContact O-N 2.98Å
63Q59.2Low81.6Confident157 Ų15756.4 Ų56.473%0.73430%0.298SS*.G310 helixtrans-68.7-6.8-170.7-67.7167.4-7.300113.9T61T61-Q63 PolarHBondContact O-N 2.68Å
64F64.8Low81.4Confident81 Ų8160.7 Ų60.736%0.35532%0.321SS..G310 helixtrans-129.947.8-174.7-55-74.8000113.3E62 S66 M67 R68E62-F64 PolarHBondContact O-N 2.98Å; F64-S66 VanDerWaalsContact C-N 3.27Å; F64-S66 PolarHBondContact O-N 3.3Å; F64-M67 HydrophobicContact CB-CB 4.14Å; F64-M67 HydrophobicContact CB-CG 4.34Å; F64-M67 HydrophobicContact CB-SD 4.02Å; F64-M67 HydrophobicContact CD1-SD 3.89Å; F64-M67 HydrophobicContact CG-SD 4.16Å; F64-M67 PolarHBondContact O-N 2.81Å; F64-M67 VanDerWaalsContact O-N 3.1Å; F64-R68 PolarHBondContact O-N 2.93Å; F64-R68 VanDerWaalsContact O-N 3.1Å
65A65.4Low81.3Confident60 Ų6058 Ų5850%0.49631%0.309SS..Hα-helixtrans-54.2-37.5-177.800000114.3R68 D69A65-R68 WeakPolarHBondContact O-CB 3.33Å; A65-R68 PolarHBondContact O-N 3.05Å; A65-D69 PolarHBondContact O-N 2.79Å
66S69.4Low81.2Confident103 Ų10362 Ų6272%0.7233%0.328SS*.Hα-helixtrans-68.4-34.7178.352.30000113.4F64F64-S66 VanDerWaalsContact C-N 3.27Å; F64-S66 PolarHBondContact O-N 3.3Å
67M76.4Confident81.3Confident83 Ų8361.4 Ų61.441%0.40933%0.325SS..Hα-helixtrans-71.9-36.5175.7-67.4179.9166.700110.9F64 D69 L70 Y71F64-M67 HydrophobicContact CB-CB 4.14Å; F64-M67 HydrophobicContact CB-CG 4.34Å; F64-M67 HydrophobicContact CB-SD 4.02Å; F64-M67 HydrophobicContact CD1-SD 3.89Å; F64-M67 HydrophobicContact CG-SD 4.16Å; F64-M67 PolarHBondContact O-N 2.81Å; F64-M67 VanDerWaalsContact O-N 3.1Å; M67-D69 VanDerWaalsContact C-N 3.34Å; M67-D69 PolarHBondContact O-N 3.03Å; M67-L70 WeakPolarHBondContact O-CB 3.43Å; M67-L70 PolarHBondContact O-N 3.21Å; M67-Y71 HydrophobicContact CB-CD2 4.45Å; M67-Y71 HydrophobicContact CB-CE2 3.56Å; M67-Y71 WeakPolarHBondContact CB-OH 3.26Å; M67-Y71 WeakPolarHBondContact O-CD2 3.45Å; M67-Y71 WeakPolarHBondContact O-CE2 3.46Å; M67-Y71 VanDerWaalsContact O-CG 3.22Å; M67-Y71 PolarHBondContact O-N 2.93Å
68R82.4Confident81.6Confident34 Ų3461.4 Ų61.413%0.12833%0.325CS..Hα-helixtrans-56.8-44.6177.6-166.6-177.7-69.2177.4-0.8112.7F64 A65 L70 Y71 I72F64-R68 PolarHBondContact O-N 2.93Å; F64-R68 VanDerWaalsContact O-N 3.1Å; A65-R68 WeakPolarHBondContact O-CB 3.33Å; A65-R68 PolarHBondContact O-N 3.05Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 3.01Å; R68-Y71 PolarHBondContact O-N 2.94Å; R68-I72 HydrophobicContact CG-CD1 3.88Å; R68-I72 HydrophobicContact CG-CG1 4.47Å; R68-I72 WeakPolarHBondContact O-CB 3.27Å; R68-I72 VanDerWaalsContact O-CG1 3.22Å; R68-I72 WeakPolarHBondContact O-CG1 3.35Å; R68-I72 PolarHBondContact O-N 3.14Å
69D88.8Confident82.1Confident72 Ų7261 Ų6139%0.38532%0.323SS..Hα-helixtrans-62.6-34.7176.8-814.1000112.3A65 M67 K73 Q99A65-D69 PolarHBondContact O-N 2.79Å; M67-D69 VanDerWaalsContact C-N 3.34Å; M67-D69 PolarHBondContact O-N 3.03Å; D69-K73 WeakPolarHBondContact O-CB 3.11Å; D69-K73 PolarHBondContact O-N 2.92Å; D69-Q99 PolarHBondContact OD1-NE2 3.47Å
70L88.8Confident82.8Confident92 Ų9260.3 Ų60.348%0.48232%0.317SS..Hα-helixtrans-67.9-46.2177.1-17763.3000111.5M67 R68 I72 K73 N74M67-L70 WeakPolarHBondContact O-CB 3.43Å; M67-L70 PolarHBondContact O-N 3.21Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 3.01Å; L70-I72 VanDerWaalsContact C-N 3.35Å; L70-K73 PolarHBondContact O-N 3.17Å; L70-N74 WeakPolarHBondContact CD1-ND2 3.43Å; L70-N74 WeakPolarHBondContact O-CB 3.35Å; L70-N74 PolarHBondContact O-N 2.92Å; L70-N74 PolarHBondContact O-ND2 2.97Å
71Y89.1Confident84.3Confident26 Ų2659.4 Ų59.410%0.10231%0.307CS..Hα-helixtrans-62.1-43.8176.4-50.3-40.8000111.2E37 L56 T58 M67 R68 N74 G75E37-Y71 VanDerWaalsContact CD-CE1 3.47Å; E37-Y71 VanDerWaalsContact CD-OH 3.27Å; E37-Y71 WeakPolarHBondContact OE1-CE1 3.39Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.36Å; E37-Y71 VanDerWaalsContact OE2-CZ 3.27Å; E37-Y71 PolarHBondContact OE2-OH 2.8Å; L56-Y71 HydrophobicContact CD2-CD1 3.43Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.43Å; L56-Y71 HydrophobicContact CD2-CD2 4.45Å; L56-Y71 HydrophobicContact CD2-CE1 4.19Å; L56-Y71 HydrophobicContact CD2-CG 3.58Å; T58-Y71 HydrophobicContact CG2-CD2 4.28Å; M67-Y71 HydrophobicContact CB-CD2 4.45Å; M67-Y71 HydrophobicContact CB-CE2 3.56Å; M67-Y71 WeakPolarHBondContact CB-OH 3.26Å; M67-Y71 WeakPolarHBondContact O-CD2 3.45Å; M67-Y71 WeakPolarHBondContact O-CE2 3.46Å; M67-Y71 VanDerWaalsContact O-CG 3.22Å; M67-Y71 PolarHBondContact O-N 2.93Å; R68-Y71 PolarHBondContact O-N 2.94Å; Y71-N74 PolarHBondContact O-N 3.11Å; Y71-G75 PolarHBondContact O-N 2.91Å
72I93.1Very high86Confident1 Ų156.4 Ų56.41%0.00529%0.289CS..Hα-helixtrans-64.1-42.5175.7-66.4169.4000110.9L9 R68 L70 N74 F78 Q99 I100 V103 K104L9-I72 HydrophobicContact CD1-CG1 4.39Å; R68-I72 HydrophobicContact CG-CD1 3.88Å; R68-I72 HydrophobicContact CG-CG1 4.47Å; R68-I72 WeakPolarHBondContact O-CB 3.27Å; R68-I72 VanDerWaalsContact O-CG1 3.22Å; R68-I72 WeakPolarHBondContact O-CG1 3.35Å; R68-I72 PolarHBondContact O-N 3.14Å; L70-I72 VanDerWaalsContact C-N 3.35Å; I72-N74 VanDerWaalsContact C-N 3.29Å; I72-N74 PolarHBondContact O-N 3.26Å; I72-F78 HydrophobicContact CB-CE1 4.31Å; I72-F78 HydrophobicContact CG1-CE1 4.19Å; I72-F78 HydrophobicContact CG2-CE1 4.26Å; I72-F78 HydrophobicContact CG2-CZ 4.12Å; I72-F78 WeakPolarHBondContact O-CZ 3.41Å; I72-Q99 HydrophobicContact CD1-CB 4.44Å; I72-Q99 HydrophobicContact CD1-CG 3.88Å; I72-I100 HydrophobicContact CD1-CG1 3.98Å; I72-I100 HydrophobicContact CG1-CG1 4.12Å; I72-I100 HydrophobicContact CG2-CB 4.36Å; I72-I100 HydrophobicContact CG2-CG1 4.31Å; I72-I100 HydrophobicContact CG2-CG2 4.37Å; I72-V103 HydrophobicContact CB-CB 4.36Å; I72-V103 HydrophobicContact CB-CG1 4.1Å; I72-V103 HydrophobicContact CG2-CB 3.57Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.23Å; I72-K104 HydrophobicContact CG2-CG 4.38Å; I72-K104 WeakPolarHBondContact O-CE 3.49Å; I72-K104 PolarHBondContact O-NZ 3Å
73K92.9Very high87.7Confident148 Ų14849.4 Ų49.464%0.64326%0.257SS*.Hα-helixtrans-60.2-42.1177.7-174.2177.6179.9-177.40111.3D69 L70 V103 K104D69-K73 WeakPolarHBondContact O-CB 3.11Å; D69-K73 PolarHBondContact O-N 2.92Å; L70-K73 PolarHBondContact O-N 3.17Å; K73-V103 HydrophobicContact CB-CG1 4.17Å; K73-K104 PolarHBondContact O-NZ 2.96Å
74N92.5Very high89.6Confident90 Ų9042 Ų4248%0.48122%0.222SC..Hα-helixtrans-86.8-26.5-174.7-66-24.2000114.7L70 Y71 I72L70-N74 WeakPolarHBondContact CD1-ND2 3.43Å; L70-N74 WeakPolarHBondContact O-CB 3.35Å; L70-N74 PolarHBondContact O-N 2.92Å; L70-N74 PolarHBondContact O-ND2 2.97Å; Y71-N74 PolarHBondContact O-N 3.11Å; I72-N74 VanDerWaalsContact C-N 3.29Å; I72-N74 PolarHBondContact O-N 3.26Å
75G95.7Very high91.2Very high3 Ų339.3 Ų39.33%0.03121%0.212CC..  trans-69.3140.2-178.800000113.3Y71 K104Y71-G75 PolarHBondContact O-N 2.91Å; G75-K104 WeakPolarHBondContact O-CE 3.09Å; G75-K104 PolarHBondContact O-NZ 2.8Å
76Q96.6Very high92.8Very high85 Ų8539.5 Ų39.540%0.39721%0.205SC..SBendtrans-94.6-29.4177.8-68.1170-59.100112.6K5 P110 M164K5-Q76 HydrophobicContact CB-CB 4.5Å; K5-Q76 HydrophobicContact CB-CG 4.27Å; K5-Q76 WeakPolarHBondContact O-CA 3.5Å; K5-Q76 WeakPolarHBondContact O-CB 3.47Å; K5-Q76 PolarHBondContact O-N 2.84Å; Q76-P110 WeakPolarHBondContact O-CD 3.42Å; Q76-P110 VanDerWaalsContact O-CG 3.31Å; Q76-P110 WeakPolarHBondContact O-CG 3.4Å; Q76-M164 VanDerWaalsContact C-SD 3.58Å; Q76-M164 HydrophobicContact CB-CG 4.46Å; Q76-M164 HydrophobicContact CB-SD 3.58Å; Q76-M164 VanDerWaalsContact CB-SD 3.58Å
77G97.6Very high94.1Very high0 Ų036.9 Ų36.90%018%0.181CC..EExtended strand (participates in β ladder)trans-138.4151.7175.200000112.4K5 V6 V7 P110 M164K5-G77 PolarHBondContact O-N 2.95Å; K5-G77 VanDerWaalsContact O-N 3.11Å; V6-G77 WeakPolarHBondContact CA-O 3.32Å; V7-G77 PolarHBondContact N-O 3.03Å; G77-P110 WeakPolarHBondContact CA-O 3.33Å; G77-M164 PolarHBondContact N-SD 3.19Å; G77-M164 VanDerWaalsContact N-SD 3.39Å
78F97.9Very high95.1Very high0 Ų037.6 Ų37.60%018%0.183CC..EExtended strand (participates in β ladder)trans-124124.3-172.5-60.9-82.7000111.4V7 L9 I72 I100 K104 V109 P110 M111 I112V7-F78 HydrophobicContact CB-CD1 3.99Å; V7-F78 HydrophobicContact CB-CE1 4.03Å; V7-F78 HydrophobicContact CG2-CD1 4.5Å; V7-F78 HydrophobicContact CG2-CE1 4.07Å; V7-F78 WeakPolarHBondContact O-CA 3.46Å; L9-F78 HydrophobicContact CD1-CD1 3.92Å; I72-F78 HydrophobicContact CB-CE1 4.31Å; I72-F78 HydrophobicContact CG1-CE1 4.19Å; I72-F78 HydrophobicContact CG2-CE1 4.26Å; I72-F78 HydrophobicContact CG2-CZ 4.12Å; I72-F78 WeakPolarHBondContact O-CZ 3.41Å; F78-I100 HydrophobicContact CB-CD1 3.96Å; F78-I100 HydrophobicContact CD1-CD1 3.88Å; F78-I100 HydrophobicContact CD1-CG1 4.13Å; F78-I100 HydrophobicContact CD1-CG2 4.38Å; F78-I100 HydrophobicContact CD2-CG2 3.75Å; F78-I100 HydrophobicContact CE1-CG1 4.45Å; F78-I100 HydrophobicContact CE1-CG2 4.48Å; F78-I100 HydrophobicContact CE2-CG2 3.86Å; F78-I100 HydrophobicContact CG-CD1 3.88Å; F78-I100 HydrophobicContact CG-CG1 4.37Å; F78-I100 HydrophobicContact CG-CG2 4.04Å; F78-I100 HydrophobicContact CZ-CG2 4.25Å; F78-K104 HydrophobicContact CE2-CG 4.25Å; F78-V109 HydrophobicContact CD2-CG1 3.5Å; F78-V109 HydrophobicContact CE2-CG1 3.65Å; F78-P110 PolarHBondContact N-O 3.03Å; F78-M111 CarbonylContact O-C 3.45Å; F78-M111 VanDerWaalsContact O-CA 3.3Å; F78-M111 WeakPolarHBondContact O-CA 3.32Å; F78-I112 PolarHBondContact O-N 3.35Å
79I98.6Very high95.8Very high1 Ų136 Ų361%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-101.1113.4170.2-59.4177.3000107.2V6 V7 V8 L9 V81 I112 V114 L156 F157 I160V6-I79 HydrophobicContact CG1-CD1 3.66Å; V6-I79 HydrophobicContact CG1-CG1 3.79Å; V7-I79 PolarHBondContact O-N 3.46Å; V8-I79 HydrophobicContact CG1-CB 4.37Å; V8-I79 HydrophobicContact CG1-CG2 4.36Å; V8-I79 HydrophobicContact CG2-CB 4.47Å; V8-I79 HydrophobicContact CG2-CD1 4.38Å; L9-I79 PolarHBondContact N-O 3.43Å; I79-V81 HydrophobicContact CG2-CG2 3.71Å; I79-I112 HydrophobicContact CB-CG2 4.23Å; I79-I112 HydrophobicContact CG1-CG2 3.82Å; I79-I112 HydrophobicContact CG2-CG2 4.21Å; I79-V114 HydrophobicContact CG2-CG2 3.71Å; I79-L156 HydrophobicContact CD1-CD1 4.2Å; I79-L156 HydrophobicContact CD1-CG 4.22Å; I79-L156 HydrophobicContact CG1-CD1 4.39Å; I79-L156 HydrophobicContact CG2-CD1 3.99Å; I79-L156 HydrophobicContact CG2-CD2 4.23Å; I79-F157 HydrophobicContact CD1-CD1 3.82Å; I79-F157 HydrophobicContact CD1-CE1 3.61Å; I79-F157 HydrophobicContact CD1-CZ 4.21Å; I79-I160 HydrophobicContact CD1-CG2 4.18Å; I79-I160 HydrophobicContact CG1-CB 4.3Å; I79-I160 HydrophobicContact CG1-CG1 4.19Å; I79-I160 HydrophobicContact CG1-CG2 4.41Å
80L98.1Very high96.3Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-99.1106.4179.3-77.3147.7000109L9 I93 M96 R97 I100 M111 I112 L113 V114 W138L9-L80 HydrophobicContact CB-CD2 4.43Å; L80-I93 HydrophobicContact CB-CD1 3.82Å; L80-I93 HydrophobicContact CB-CG1 3.82Å; L80-I93 HydrophobicContact CD2-CD1 3.6Å; L80-I93 HydrophobicContact CD2-CG1 3.85Å; L80-I93 HydrophobicContact CG-CD1 4.33Å; L80-I93 HydrophobicContact CG-CG1 4.41Å; L80-M96 HydrophobicContact CD2-CB 3.95Å; L80-R97 HydrophobicContact CD1-CB 4.27Å; L80-I100 HydrophobicContact CD1-CD1 4.2Å; L80-I100 HydrophobicContact CD2-CD1 4.04Å; L80-I100 HydrophobicContact CG-CD1 4.32Å; L80-M111 HydrophobicContact CD1-CE 3.44Å; L80-M111 VanDerWaalsContact CD1-CE 3.44Å; L80-M111 HydrophobicContact CD1-CG 3.76Å; L80-M111 HydrophobicContact CD1-SD 3.43Å; L80-M111 WeakPolarHBondContact CD1-SD 3.34Å; L80-I112 PolarHBondContact N-O 3.39Å; L80-L113 HydrophobicContact CB-CD1 4.32Å; L80-V114 PolarHBondContact O-N 2.58Å; L80-W138 HydrophobicContact CD1-CZ3 4.05Å
81V98.4Very high96.7Very high0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-104.3127.8-173.9-169.40000110.4V8 L9 G10 V14 K16 L19 I79 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.69Å; L9-V81 PolarHBondContact O-N 2.98Å; G10-V81 VanDerWaalsContact CA-O 3.26Å; G10-V81 WeakPolarHBondContact CA-O 3.42Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4.03Å; V14-V81 HydrophobicContact CG2-CG1 3.88Å; K16-V81 HydrophobicContact CG-CB 4.23Å; K16-V81 HydrophobicContact CG-CG2 4.35Å; L19-V81 HydrophobicContact CD1-CG1 3.93Å; L19-V81 HydrophobicContact CD1-CG2 4.07Å; I79-V81 HydrophobicContact CG2-CG2 3.71Å; V81-V114 WeakPolarHBondContact CA-O 3.35Å; V81-V114 HydrophobicContact CG2-CB 4.35Å; V81-N116 HydrophobicContact CG1-CB 3.82Å
82Y98.5Very high96.9Very high0 Ų035.3 Ų35.30%017%0.172CC..EExtended strand (participates in β ladder)trans-121.2168.716371.4-84000109.9L84 F90 L113 V114 N116 V126 G131 F142Y82-L84 HydrophobicContact CE2-CD2 3.74Å; Y82-F90 AromaticContact CD1-CD2 3.88Å; Y82-F90 HydrophobicContact CD1-CD2 3.88Å; Y82-F90 HydrophobicContact CD2-CB 3.78Å; Y82-F90 AromaticContact CD2-CD2 3.71Å; Y82-F90 HydrophobicContact CD2-CD2 3.71Å; Y82-F90 HydrophobicContact CD2-CG 4.17Å; Y82-F90 AromaticContact CE1-CD2 3.78Å; Y82-F90 HydrophobicContact CE1-CD2 3.78Å; Y82-F90 HydrophobicContact CE1-CE2 4.05Å; Y82-F90 HydrophobicContact CE2-CB 4.26Å; Y82-F90 AromaticContact CE2-CD2 3.58Å; Y82-F90 HydrophobicContact CE2-CD2 3.58Å; Y82-F90 HydrophobicContact CE2-CE2 4.28Å; Y82-F90 HydrophobicContact CE2-CG 4.22Å; Y82-F90 HydrophobicContact CG-CB 4.2Å; Y82-F90 AromaticContact CG-CD2 3.85Å; Y82-F90 HydrophobicContact CG-CD2 3.85Å; Y82-F90 AromaticContact CZ-CD2 3.62Å; Y82-F90 AromaticContact CZ-CE2 3.92Å; Y82-L113 HydrophobicContact CD1-CD1 3.81Å; Y82-L113 HydrophobicContact CD1-CG 4.43Å; Y82-L113 HydrophobicContact CE1-CD1 3.88Å; Y82-L113 HydrophobicContact CE1-CD2 4.38Å; Y82-L113 HydrophobicContact CE1-CG 4.01Å; Y82-V114 WeakPolarHBondContact CD1-O 3.45Å; Y82-V114 WeakPolarHBondContact CE1-O 3.33Å; Y82-V114 PolarHBondContact N-O 3.11Å; Y82-N116 PolarHBondContact O-N 2.84Å; Y82-V126 HydrophobicContact CD2-CG2 4.32Å; Y82-V126 HydrophobicContact CE2-CB 3.92Å; Y82-V126 HydrophobicContact CE2-CG1 3.68Å; Y82-V126 HydrophobicContact CE2-CG2 4.04Å; Y82-G131 WeakPolarHBondContact OH-CA 3.35Å; Y82-F142 HydrophobicContact CE1-CE2 4.16Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.22Å
83S98.4Very high97Very high2 Ų235.2 Ų35.21%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-102.4129.4177.4170.40000109.6V85 N86 S89S83-V85 PolarHBondContact O-N 3.34Å; S83-V85 VanDerWaalsContact OG-CG2 3.27Å; S83-V85 WeakPolarHBondContact OG-CG2 3.32Å; S83-N86 PolarHBondContact O-N 3.45Å; S83-N86 VanDerWaalsContact O-N 3.09Å; S83-S89 PolarHBondContact N-OG 3.42Å; S83-S89 PolarHBondContact O-OG 3.49Å
84L98.6Very high97.1Very high2 Ų232.6 Ų32.61%0.0116%0.16CC..THydrogen-bonded Turntrans-62.4-23178.3-66.1173.4000112.9Y82 N116 V118 E125 V126 E144Y82-L84 HydrophobicContact CE2-CD2 3.74Å; L84-N116 WeakPolarHBondContact CG-O 3.48Å; L84-N116 PolarHBondContact N-O 3.04Å; L84-V118 HydrophobicContact CD1-CB 3.76Å; L84-V118 HydrophobicContact CD1-CG2 4.17Å; L84-E125 PolarHBondContact O-N 3.41Å; L84-V126 PolarHBondContact O-N 3.47Å; L84-E144 HydrophobicContact CD1-CB 4.42Å; L84-E144 HydrophobicContact CD1-CG 4.2Å; L84-E144 HydrophobicContact CD2-CG 4.45Å
85V98.4Very high97.1Very high23 Ų2332 Ų3214%0.13916%0.161CC..THydrogen-bonded Turntrans-99.922.4178-52.40000113.1S83 K117 L120 E123S83-V85 PolarHBondContact O-N 3.34Å; S83-V85 VanDerWaalsContact OG-CG2 3.27Å; S83-V85 WeakPolarHBondContact OG-CG2 3.32Å; V85-K117 HydrophobicContact CG2-CD 4.07Å; V85-L120 HydrophobicContact CG1-CB 3.58Å; V85-L120 HydrophobicContact CG1-CD1 4.23Å; V85-L120 HydrophobicContact CG2-CD1 4.05Å; V85-E123 WeakPolarHBondContact CA-O 3.31Å; V85-E123 HydrophobicContact CB-CB 4.09Å; V85-E123 WeakPolarHBondContact CB-O 3.3Å; V85-E123 HydrophobicContact CG1-CB 3.66Å; V85-E123 WeakPolarHBondContact CG1-O 3.4Å
86N97.9Very high97Very high64 Ų6432.7 Ų32.734%0.34216%0.164SC..  trans-151.797.3176.8-179-28000110.3S83 Q88 S89 E125S83-N86 PolarHBondContact O-N 3.45Å; S83-N86 VanDerWaalsContact O-N 3.09Å; N86-Q88 VanDerWaalsContact C-N 3.26Å; N86-Q88 PolarHBondContact O-N 3.09Å; N86-Q88 WeakPolarHBondContact OD1-CA 3.48Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.27Å; N86-Q88 PolarHBondContact OD1-N 3.49Å; N86-S89 PolarHBondContact O-N 3.37Å; N86-S89 VanDerWaalsContact O-N 3.15Å; N86-S89 PolarHBondContact O-OG 3.08Å; N86-S89 PolarHBondContact OD1-N 3.38Å; N86-E125 WeakPolarHBondContact CA-OE2 3.4Å
87Q97.9Very high96.9Very high48 Ų4831.7 Ų31.722%0.22416%0.156CC..Hα-helixtrans-58.4-36.4179.8-170.667.520.100112.5S89 F90 Q91 E125Q87-S89 VanDerWaalsContact C-N 3.3Å; Q87-S89 PolarHBondContact O-N 3.03Å; Q87-F90 WeakPolarHBondContact O-CB 3.43Å; Q87-F90 PolarHBondContact O-N 3.35Å; Q87-F90 VanDerWaalsContact O-N 3.14Å; Q87-Q91 PolarHBondContact O-N 2.83Å; Q87-Q91 VanDerWaalsContact O-N 3.14Å; Q87-E125 HydrophobicContact CB-CB 4.29Å; Q87-E125 WeakPolarHBondContact CB-OE2 3.27Å; Q87-E125 PolarHBondContact N-OE2 3.15Å; Q87-E125 PolarHBondContact OE1-O 3Å
88Q97.3Very high96.7Very high98 Ų9835.8 Ų35.846%0.45818%0.178SC..Hα-helixtrans-61.6-41.7179.2-172.960.956.700110.8N86 F90 Q91 D92N86-Q88 VanDerWaalsContact C-N 3.26Å; N86-Q88 PolarHBondContact O-N 3.09Å; N86-Q88 WeakPolarHBondContact OD1-CA 3.48Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.27Å; N86-Q88 PolarHBondContact OD1-N 3.49Å; Q88-F90 PolarHBondContact O-N 3.4Å; Q88-Q91 WeakPolarHBondContact O-CB 3.47Å; Q88-Q91 PolarHBondContact O-N 3.01Å; Q88-D92 PolarHBondContact NE2-OD1 2.8Å; Q88-D92 PolarHBondContact O-N 3.02Å
89S97.4Very high96.4Very high0 Ų037.7 Ų37.70%019%0.187CC..Hα-helixtrans-62.3-28.4177.875.40000113.6S83 N86 Q87S83-S89 PolarHBondContact N-OG 3.42Å; S83-S89 PolarHBondContact O-OG 3.49Å; N86-S89 PolarHBondContact O-N 3.37Å; N86-S89 VanDerWaalsContact O-N 3.15Å; N86-S89 PolarHBondContact O-OG 3.08Å; N86-S89 PolarHBondContact OD1-N 3.38Å; Q87-S89 VanDerWaalsContact C-N 3.3Å; Q87-S89 PolarHBondContact O-N 3.03Å
90F98.3Very high96.2Very high21 Ų2137.6 Ų37.69%0.09219%0.187CC..Hα-helixtrans-74.9-35.3173.3-178.5-113.3000112.1Y82 Q87 Q88 I93 V126 E130 L134Y82-F90 AromaticContact CD1-CD2 3.88Å; Y82-F90 HydrophobicContact CD1-CD2 3.88Å; Y82-F90 HydrophobicContact CD2-CB 3.78Å; Y82-F90 AromaticContact CD2-CD2 3.71Å; Y82-F90 HydrophobicContact CD2-CD2 3.71Å; Y82-F90 HydrophobicContact CD2-CG 4.17Å; Y82-F90 AromaticContact CE1-CD2 3.78Å; Y82-F90 HydrophobicContact CE1-CD2 3.78Å; Y82-F90 HydrophobicContact CE1-CE2 4.05Å; Y82-F90 HydrophobicContact CE2-CB 4.26Å; Y82-F90 AromaticContact CE2-CD2 3.58Å; Y82-F90 HydrophobicContact CE2-CD2 3.58Å; Y82-F90 HydrophobicContact CE2-CE2 4.28Å; Y82-F90 HydrophobicContact CE2-CG 4.22Å; Y82-F90 HydrophobicContact CG-CB 4.2Å; Y82-F90 AromaticContact CG-CD2 3.85Å; Y82-F90 HydrophobicContact CG-CD2 3.85Å; Y82-F90 AromaticContact CZ-CD2 3.62Å; Y82-F90 AromaticContact CZ-CE2 3.92Å; Q87-F90 WeakPolarHBondContact O-CB 3.43Å; Q87-F90 PolarHBondContact O-N 3.35Å; Q87-F90 VanDerWaalsContact O-N 3.14Å; Q88-F90 PolarHBondContact O-N 3.4Å; F90-I93 WeakPolarHBondContact O-CG2 3.44Å; F90-V126 HydrophobicContact CB-CG2 3.73Å; F90-V126 HydrophobicContact CD1-CG1 4.11Å; F90-V126 HydrophobicContact CD1-CG2 4.39Å; F90-V126 HydrophobicContact CD2-CG1 4.08Å; F90-V126 HydrophobicContact CE1-CG1 4.3Å; F90-V126 HydrophobicContact CE2-CG1 4.26Å; F90-V126 HydrophobicContact CG-CG1 4Å; F90-V126 HydrophobicContact CG-CG2 4.06Å; F90-V126 HydrophobicContact CZ-CG1 4.37Å; F90-E130 HydrophobicContact CE1-CB 4.22Å; F90-E130 HydrophobicContact CZ-CB 4.16Å; F90-L134 HydrophobicContact CD2-CD2 4.32Å; F90-L134 HydrophobicContact CE1-CD2 4.5Å; F90-L134 HydrophobicContact CE2-CB 4.34Å; F90-L134 HydrophobicContact CE2-CD2 3.49Å; F90-L134 VanDerWaalsContact CE2-CD2 3.49Å; F90-L134 HydrophobicContact CZ-CB 4.02Å; F90-L134 HydrophobicContact CZ-CD2 3.6Å; F90-L134 HydrophobicContact CZ-CG 4.44Å
91Q96.8Very high96Very high103 Ų10340.3 Ų40.348%0.48120%0.201SC..Hα-helixtrans-68.5-39.9174.3-63.9177.814.900111.7Q87 Q88 I93 P95Q87-Q91 PolarHBondContact O-N 2.83Å; Q87-Q91 VanDerWaalsContact O-N 3.14Å; Q88-Q91 WeakPolarHBondContact O-CB 3.47Å; Q88-Q91 PolarHBondContact O-N 3.01Å; Q91-I93 PolarHBondContact O-N 2.7Å; Q91-P95 WeakPolarHBondContact O-CD 3.33Å
92D94.6Very high95.8Very high52 Ų5250.3 Ų50.328%0.27824%0.238SC..Hα-helixtrans-66.3-19.8-178.3-61.8-16.8000113.3S11 Q88 K94 P95 M96S11-D92 VanDerWaalsContact OG-CB 3.25Å; S11-D92 WeakPolarHBondContact OG-CB 3.39Å; S11-D92 PolarHBondContact OG-OD2 2.9Å; Q88-D92 PolarHBondContact NE2-OD1 2.8Å; Q88-D92 PolarHBondContact O-N 3.02Å; D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 3.43Å; D92-P95 WeakPolarHBondContact O-CD 3.22Å; D92-M96 HydrophobicContact CB-CE 4.07Å
93I94.5Very high95.5Very high0 Ų052 Ų520%025%0.249CC..Hα-helixtrans-72.7-26-174.2-150.663.8000112.7L80 F90 Q91 M96 R97 L113 L134 W138L80-I93 HydrophobicContact CB-CD1 3.82Å; L80-I93 HydrophobicContact CB-CG1 3.82Å; L80-I93 HydrophobicContact CD2-CD1 3.6Å; L80-I93 HydrophobicContact CD2-CG1 3.85Å; L80-I93 HydrophobicContact CG-CD1 4.33Å; L80-I93 HydrophobicContact CG-CG1 4.41Å; F90-I93 WeakPolarHBondContact O-CG2 3.44Å; Q91-I93 PolarHBondContact O-N 2.7Å; I93-M96 HydrophobicContact CD1-SD 4.11Å; I93-M96 PolarHBondContact O-N 3.23Å; I93-R97 PolarHBondContact O-N 2.94Å; I93-L113 HydrophobicContact CG1-CD1 4.12Å; I93-L113 HydrophobicContact CG2-CD1 4.27Å; I93-L134 HydrophobicContact CG2-CD2 4.03Å; I93-W138 HydrophobicContact CG1-CH2 4.49Å; I93-W138 HydrophobicContact CG2-CH2 3.83Å
94K94.8Very high95.2Very high92 Ų9253 Ų5340%0.425%0.253SS..Hα-helixtrans-63.2-55.7176.9-79.2177.2179.7-162.80112.1D92 M96 R97 D98 L134 W138D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 3.43Å; K94-M96 PolarHBondContact O-N 3.17Å; K94-R97 WeakPolarHBondContact O-CB 3.45Å; K94-R97 PolarHBondContact O-N 3.45Å; K94-R97 VanDerWaalsContact O-N 3.12Å; K94-D98 PolarHBondContact O-N 3.01Å; K94-L134 HydrophobicContact CG-CD1 4.32Å; K94-W138 HydrophobicContact CG-CZ2 3.85Å
95P93.4Very high94.6Very high79 Ų7963.5 Ų63.551%0.51329%0.292SS..Hα-helixtrans-53.1-38.6173.3-27.931.7000114.2Q91 D92 D98 Q99Q91-P95 WeakPolarHBondContact O-CD 3.33Å; D92-P95 WeakPolarHBondContact O-CD 3.22Å; P95-D98 PolarHBondContact O-N 3.41Å; P95-Q99 PolarHBondContact O-N 3.34Å
96M92.3Very high93.6Very high16 Ų1669.7 Ų69.78%0.07931%0.314CS..Hα-helixtrans-64.8-44.6178.1-64.3-176.9-153.200111.6G10 L80 D92 I93 K94 D98 Q99 I100G10-M96 VanDerWaalsContact CA-SD 3.59Å; L80-M96 HydrophobicContact CD2-CB 3.95Å; D92-M96 HydrophobicContact CB-CE 4.07Å; I93-M96 HydrophobicContact CD1-SD 4.11Å; I93-M96 PolarHBondContact O-N 3.23Å; K94-M96 PolarHBondContact O-N 3.17Å; M96-D98 VanDerWaalsContact C-N 3.35Å; M96-D98 PolarHBondContact O-N 3.06Å; M96-Q99 PolarHBondContact O-N 2.89Å; M96-I100 WeakPolarHBondContact O-CG1 3.45Å; M96-I100 PolarHBondContact O-N 3.28Å; M96-I100 VanDerWaalsContact O-N 3.08Å
97R95Very high92.5Very high65 Ų6576.7 Ų76.725%0.24535%0.345CS..Hα-helixtrans-59.2-45.7174.2177.1-90.5179.5-169.43.1111.4L80 I93 K94 Q99 I100 I101 M111 W138L80-R97 HydrophobicContact CD1-CB 4.27Å; I93-R97 PolarHBondContact O-N 2.94Å; K94-R97 WeakPolarHBondContact O-CB 3.45Å; K94-R97 PolarHBondContact O-N 3.45Å; K94-R97 VanDerWaalsContact O-N 3.12Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 3.43Å; R97-I100 WeakPolarHBondContact O-CB 2.85Å; R97-I100 PolarHBondContact O-N 3.19Å; R97-I100 VanDerWaalsContact O-N 3.09Å; R97-I101 WeakPolarHBondContact O-CG1 3.34Å; R97-I101 PolarHBondContact O-N 3.34Å; R97-M111 HydrophobicContact CG-CE 3.92Å; R97-M111 HydrophobicContact CG-SD 3.98Å; R97-W138 HydrophobicContact CB-CH2 3.71Å; R97-W138 HydrophobicContact CB-CZ2 3.91Å; R97-W138 HydrophobicContact CB-CZ3 4.12Å; R97-W138 HydrophobicContact CG-CD2 4.08Å; R97-W138 HydrophobicContact CG-CE3 4.16Å; R97-W138 HydrophobicContact CG-CH2 4.07Å; R97-W138 HydrophobicContact CG-CZ2 4.04Å; R97-W138 HydrophobicContact CG-CZ3 4.15Å
98D93.8Very high91.9Very high86 Ų8680.4 Ų80.446%0.4636%0.357SS..Hα-helixtrans-64.6-35.8-178.7-69-21.4000112.2K94 P95 M96 I101 R102K94-D98 PolarHBondContact O-N 3.01Å; P95-D98 PolarHBondContact O-N 3.41Å; M96-D98 VanDerWaalsContact C-N 3.35Å; M96-D98 PolarHBondContact O-N 3.06Å; D98-I101 PolarHBondContact O-N 3.34Å; D98-R102 WeakPolarHBondContact O-CB 3.33Å; D98-R102 PolarHBondContact O-N 3.1Å
99Q92.2Very high91.8Very high39 Ų3976.5 Ų76.518%0.18234%0.34CS..Hα-helixtrans-62.9-42.8171.8-171.1175.3-1.800111.7D69 I72 P95 M96 R97 I101 R102 V103D69-Q99 PolarHBondContact OD1-NE2 3.47Å; I72-Q99 HydrophobicContact CD1-CB 4.44Å; I72-Q99 HydrophobicContact CD1-CG 3.88Å; P95-Q99 PolarHBondContact O-N 3.34Å; M96-Q99 PolarHBondContact O-N 2.89Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 3.43Å; Q99-I101 PolarHBondContact O-N 3.03Å; Q99-R102 PolarHBondContact O-N 3.23Å; Q99-V103 HydrophobicContact CG-CG2 4.48Å; Q99-V103 WeakPolarHBondContact O-CG2 3.25Å; Q99-V103 PolarHBondContact O-N 3.07Å
100I94.3Very high91.8Very high0 Ų077.2 Ų77.20%034%0.344CS..Hα-helixtrans-57.5-51.4176-66.2163.3000110.8L9 I72 F78 L80 M96 R97 R102 V103 K104 V109 M111L9-I100 HydrophobicContact CD1-CD1 3.72Å; L9-I100 HydrophobicContact CD1-CG1 4.08Å; I72-I100 HydrophobicContact CD1-CG1 3.98Å; I72-I100 HydrophobicContact CG1-CG1 4.12Å; I72-I100 HydrophobicContact CG2-CB 4.36Å; I72-I100 HydrophobicContact CG2-CG1 4.31Å; I72-I100 HydrophobicContact CG2-CG2 4.37Å; F78-I100 HydrophobicContact CB-CD1 3.96Å; F78-I100 HydrophobicContact CD1-CD1 3.88Å; F78-I100 HydrophobicContact CD1-CG1 4.13Å; F78-I100 HydrophobicContact CD1-CG2 4.38Å; F78-I100 HydrophobicContact CD2-CG2 3.75Å; F78-I100 HydrophobicContact CE1-CG1 4.45Å; F78-I100 HydrophobicContact CE1-CG2 4.48Å; F78-I100 HydrophobicContact CE2-CG2 3.86Å; F78-I100 HydrophobicContact CG-CD1 3.88Å; F78-I100 HydrophobicContact CG-CG1 4.37Å; F78-I100 HydrophobicContact CG-CG2 4.04Å; F78-I100 HydrophobicContact CZ-CG2 4.25Å; L80-I100 HydrophobicContact CD1-CD1 4.2Å; L80-I100 HydrophobicContact CD2-CD1 4.04Å; L80-I100 HydrophobicContact CG-CD1 4.32Å; M96-I100 WeakPolarHBondContact O-CG1 3.45Å; M96-I100 PolarHBondContact O-N 3.28Å; M96-I100 VanDerWaalsContact O-N 3.08Å; R97-I100 WeakPolarHBondContact O-CB 2.85Å; R97-I100 PolarHBondContact O-N 3.19Å; R97-I100 VanDerWaalsContact O-N 3.09Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.06Å; I100-V103 PolarHBondContact O-N 3.44Å; I100-K104 HydrophobicContact CG2-CG 4.22Å; I100-K104 WeakPolarHBondContact O-CB 3.44Å; I100-K104 WeakPolarHBondContact O-CG 3.43Å; I100-K104 PolarHBondContact O-N 3.1Å; I100-V109 HydrophobicContact CG2-CG1 3.77Å; I100-M111 HydrophobicContact CD1-CE 4.16Å; I100-M111 HydrophobicContact CG2-CE 4.33Å
101I94.3Very high91.7Very high57 Ų5776.7 Ų76.729%0.29234%0.342SS..Hα-helixtrans-60.2-44.8-179.5-61.1-51.9000110.8R97 D98 Q99 V103 K104 R105 V109R97-I101 WeakPolarHBondContact O-CG1 3.34Å; R97-I101 PolarHBondContact O-N 3.34Å; D98-I101 PolarHBondContact O-N 3.34Å; Q99-I101 PolarHBondContact O-N 3.03Å; I101-V103 PolarHBondContact O-N 3.44Å; I101-K104 PolarHBondContact O-N 2.82Å; I101-R105 PolarHBondContact O-N 3.3Å; I101-V109 HydrophobicContact CD1-CB 4.19Å; I101-V109 HydrophobicContact CD1-CG2 3.87Å
102R92.6Very high91.8Very high209 Ų20971.8 Ų71.879%0.78932%0.319SS*.Hα-helixtrans-59.5-43.9178.9-180-177.9172.8-167.1-3.1112.8D98 Q99 I100 R105D98-R102 WeakPolarHBondContact O-CB 3.33Å; D98-R102 PolarHBondContact O-N 3.1Å; Q99-R102 PolarHBondContact O-N 3.23Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.06Å; R102-R105 WeakPolarHBondContact O-CG 3.47Å
103V93.2Very high92Very high37 Ų3769.3 Ų69.322%0.22431%0.306CS..Hα-helixtrans-75.6-40.5-178.4173.10000111.2I72 K73 Q99 I100 I101I72-V103 HydrophobicContact CB-CB 4.36Å; I72-V103 HydrophobicContact CB-CG1 4.1Å; I72-V103 HydrophobicContact CG2-CB 3.57Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.23Å; K73-V103 HydrophobicContact CB-CG1 4.17Å; Q99-V103 HydrophobicContact CG-CG2 4.48Å; Q99-V103 WeakPolarHBondContact O-CG2 3.25Å; Q99-V103 PolarHBondContact O-N 3.07Å; I100-V103 PolarHBondContact O-N 3.44Å; I101-V103 PolarHBondContact O-N 3.44Å
104K92.6Very high92.2Very high22 Ų2269.3 Ų69.310%0.09631%0.306CS..Hα-helixtrans-71.9-37.8-176.8-77.8-51.2-159.4-1680114.2I72 K73 G75 F78 I100 I101 Y106 V109I72-K104 HydrophobicContact CG2-CG 4.38Å; I72-K104 WeakPolarHBondContact O-CE 3.49Å; I72-K104 PolarHBondContact O-NZ 3Å; K73-K104 PolarHBondContact O-NZ 2.96Å; G75-K104 WeakPolarHBondContact O-CE 3.09Å; G75-K104 PolarHBondContact O-NZ 2.8Å; F78-K104 HydrophobicContact CE2-CG 4.25Å; I100-K104 HydrophobicContact CG2-CG 4.22Å; I100-K104 WeakPolarHBondContact O-CB 3.44Å; I100-K104 WeakPolarHBondContact O-CG 3.43Å; I100-K104 PolarHBondContact O-N 3.1Å; I101-K104 PolarHBondContact O-N 2.82Å; K104-Y106 HydrophobicContact CB-CD2 3.86Å; K104-Y106 HydrophobicContact CB-CE2 4.41Å; K104-Y106 HydrophobicContact CB-CG 4.43Å; K104-Y106 HydrophobicContact CD-CD2 4.07Å; K104-Y106 HydrophobicContact CD-CE2 3.88Å; K104-Y106 HydrophobicContact CG-CD2 4.3Å; K104-Y106 PolarHBondContact O-N 3Å; K104-Y106 VanDerWaalsContact O-N 3.11Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.11Å; K104-V109 HydrophobicContact CG-CG2 3.96Å
105R85.1Confident92.4Very high222 Ų22264.9 Ų64.984%0.83829%0.287SS*.  trans54.626.1-178.1-50.6-178.9178.5-170.9-0.1113.8I101 R102I101-R105 PolarHBondContact O-N 3.3Å; R102-R105 WeakPolarHBondContact O-CG 3.47Å
106Y78.1Confident92.6Very high153 Ų15361.2 Ų61.260%0.626%0.263SS*.  trans-99.1151.2176.5-61.8-43.6000110.7K104 R108K104-Y106 HydrophobicContact CB-CD2 3.86Å; K104-Y106 HydrophobicContact CB-CE2 4.41Å; K104-Y106 HydrophobicContact CB-CG 4.43Å; K104-Y106 HydrophobicContact CD-CD2 4.07Å; K104-Y106 HydrophobicContact CD-CE2 3.88Å; K104-Y106 HydrophobicContact CG-CD2 4.3Å; K104-Y106 PolarHBondContact O-N 3Å; K104-Y106 VanDerWaalsContact O-N 3.11Å; Y106-R108 VanDerWaalsContact C-N 3.29Å; Y106-R108 PolarHBondContact O-N 3.01Å
107E73.3Confident92.9Very high212 Ų21263.1 Ų63.199%0.99127%0.271SS*.SBendtrans-63.5-36.3173.9-68.1-174.9170.800112
108R86.6Confident93Very high126 Ų12662.3 Ų62.348%0.47527%0.273SS..  trans-134.7122.6176.5-168.1176-178.2180-2.4110.6Y106Y106-R108 VanDerWaalsContact C-N 3.29Å; Y106-R108 PolarHBondContact O-N 3.01Å
109V94.4Very high93.2Very high16 Ų1660.6 Ų60.610%0.09726%0.263CS..  trans-106.7124.2176-179.80000108.7F78 I100 I101 K104 M111F78-V109 HydrophobicContact CD2-CG1 3.5Å; F78-V109 HydrophobicContact CE2-CG1 3.65Å; I100-V109 HydrophobicContact CG2-CG1 3.77Å; I101-V109 HydrophobicContact CD1-CB 4.19Å; I101-V109 HydrophobicContact CD1-CG2 3.87Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.11Å; K104-V109 HydrophobicContact CG-CG2 3.96Å; V109-M111 WeakPolarHBondContact O-CB 3.37Å; V109-M111 PolarHBondContact O-N 3.4Å
110P97Very high93.4Very high14 Ų1461.1 Ų61.19%0.09127%0.267CS..  trans-58.4121.1175.4-24.734.2000111.3Q76 G77 F78 I160 Q163 M164Q76-P110 WeakPolarHBondContact O-CD 3.42Å; Q76-P110 VanDerWaalsContact O-CG 3.31Å; Q76-P110 WeakPolarHBondContact O-CG 3.4Å; G77-P110 WeakPolarHBondContact CA-O 3.33Å; F78-P110 PolarHBondContact N-O 3.03Å; P110-I160 HydrophobicContact CB-CD1 4.48Å; P110-Q163 HydrophobicContact CB-CB 4.08Å; P110-M164 HydrophobicContact CB-CB 4.33Å; P110-M164 HydrophobicContact CB-CG 3.52Å; P110-M164 HydrophobicContact CG-CB 4.37Å; P110-M164 HydrophobicContact CG-CG 3.83Å
111M97.4Very high93.5Very high10 Ų1066.2 Ų66.25%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-152.4146.8-166.6170.4168.4-59.800110.4F78 L80 R97 I100 V109 W138 C140 P141F78-M111 CarbonylContact O-C 3.45Å; F78-M111 VanDerWaalsContact O-CA 3.3Å; F78-M111 WeakPolarHBondContact O-CA 3.32Å; L80-M111 HydrophobicContact CD1-CE 3.44Å; L80-M111 VanDerWaalsContact CD1-CE 3.44Å; L80-M111 HydrophobicContact CD1-CG 3.76Å; L80-M111 HydrophobicContact CD1-SD 3.43Å; L80-M111 WeakPolarHBondContact CD1-SD 3.34Å; R97-M111 HydrophobicContact CG-CE 3.92Å; R97-M111 HydrophobicContact CG-SD 3.98Å; I100-M111 HydrophobicContact CD1-CE 4.16Å; I100-M111 HydrophobicContact CG2-CE 4.33Å; V109-M111 WeakPolarHBondContact O-CB 3.37Å; V109-M111 PolarHBondContact O-N 3.4Å; M111-W138 HydrophobicContact SD-CE3 4.05Å; M111-W138 HydrophobicContact SD-CZ3 4.48Å; M111-C140 HydrophobicContact CB-CB 4.3Å; M111-C140 HydrophobicContact CG-CB 4.03Å; M111-P141 VanDerWaalsContact O-CD 3.31Å; M111-P141 WeakPolarHBondContact O-CD 3.3Å
112I98.6Very high93.7Very high0 Ų067.6 Ų67.60%032%0.319CS..EExtended strand (participates in β ladder)trans-139.9137.1165.4-175.5162.4000110.3F78 I79 L80 V114 P141 M143 L156 E159 I160F78-I112 PolarHBondContact O-N 3.35Å; I79-I112 HydrophobicContact CB-CG2 4.23Å; I79-I112 HydrophobicContact CG1-CG2 3.82Å; I79-I112 HydrophobicContact CG2-CG2 4.21Å; L80-I112 PolarHBondContact N-O 3.39Å; I112-V114 HydrophobicContact CG1-CG2 4.29Å; I112-V114 HydrophobicContact CG2-CG2 4.31Å; I112-P141 HydrophobicContact CD1-CB 3.99Å; I112-P141 HydrophobicContact CG1-CB 4.02Å; I112-M143 HydrophobicContact CD1-CB 4.46Å; I112-M143 HydrophobicContact CD1-CG 3.88Å; I112-M143 HydrophobicContact CD1-SD 3.57Å; I112-M143 VanDerWaalsContact CD1-SD 3.57Å; I112-L156 HydrophobicContact CD1-CD1 3.86Å; I112-L156 HydrophobicContact CG1-CD1 4.31Å; I112-L156 HydrophobicContact CG2-CD1 3.65Å; I112-E159 HydrophobicContact CD1-CB 4.13Å; I112-E159 HydrophobicContact CD1-CG 3.77Å; I112-I160 HydrophobicContact CG2-CB 4.34Å; I112-I160 HydrophobicContact CG2-CD1 4.18Å
113L98.8Very high93.9Very high0 Ų063.6 Ų63.60%031%0.31CS..EExtended strand (participates in β ladder)trans-92.4133.3172.8179.763.9000110L80 Y82 I93 G131 L134 A135 W138 P141 F142 M143L80-L113 HydrophobicContact CB-CD1 4.32Å; Y82-L113 HydrophobicContact CD1-CD1 3.81Å; Y82-L113 HydrophobicContact CD1-CG 4.43Å; Y82-L113 HydrophobicContact CE1-CD1 3.88Å; Y82-L113 HydrophobicContact CE1-CD2 4.38Å; Y82-L113 HydrophobicContact CE1-CG 4.01Å; I93-L113 HydrophobicContact CG1-CD1 4.12Å; I93-L113 HydrophobicContact CG2-CD1 4.27Å; L113-G131 WeakPolarHBondContact CD2-O 3.37Å; L113-L134 HydrophobicContact CD2-CB 4.11Å; L113-L134 HydrophobicContact CD2-CD2 3.99Å; L113-L134 HydrophobicContact CD2-CG 4.09Å; L113-A135 HydrophobicContact CB-CB 4.34Å; L113-A135 HydrophobicContact CD2-CB 4.1Å; L113-W138 HydrophobicContact CB-CZ3 4.48Å; L113-W138 HydrophobicContact CD1-CZ3 3.94Å; L113-W138 HydrophobicContact CD2-CZ3 4.4Å; L113-P141 PolarHBondContact N-O 3.49Å; L113-F142 HydrophobicContact CB-CD2 4.31Å; L113-F142 HydrophobicContact CD2-CD2 4.15Å; L113-F142 HydrophobicContact CG-CD2 4.05Å; L113-F142 WeakPolarHBondContact O-CA 3.46Å; L113-M143 PolarHBondContact O-N 3.35Å
114V98.8Very high94.2Very high0 Ų064.6 Ų64.60%031%0.31CS..EExtended strand (participates in β ladder)trans-130.6119.1-173.1-176.60000111.7L19 I79 L80 V81 Y82 I112 M143 T145 L156L19-V114 HydrophobicContact CD1-CG1 4.36Å; I79-V114 HydrophobicContact CG2-CG2 3.71Å; L80-V114 PolarHBondContact O-N 2.58Å; V81-V114 WeakPolarHBondContact CA-O 3.35Å; V81-V114 HydrophobicContact CG2-CB 4.35Å; Y82-V114 WeakPolarHBondContact CD1-O 3.45Å; Y82-V114 WeakPolarHBondContact CE1-O 3.33Å; Y82-V114 PolarHBondContact N-O 3.11Å; I112-V114 HydrophobicContact CG1-CG2 4.29Å; I112-V114 HydrophobicContact CG2-CG2 4.31Å; V114-M143 VanDerWaalsContact CA-O 3.3Å; V114-M143 WeakPolarHBondContact CA-O 3.47Å; V114-T145 HydrophobicContact CG1-CG2 3.74Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.48Å; V114-L156 HydrophobicContact CG1-CD2 4.26Å; V114-L156 HydrophobicContact CG2-CD1 3.42Å; V114-L156 VanDerWaalsContact CG2-CD1 3.42Å; V114-L156 HydrophobicContact CG2-CD2 4.06Å; V114-L156 HydrophobicContact CG2-CG 4.39Å
115G98.7Very high94.4Very high0 Ų068.9 Ų68.90%033%0.33CS..EExtended strand (participates in β ladder)trans-91.8102.8167.300000110.6M143 E144 T145G115-M143 PolarHBondContact N-O 3.33Å; G115-E144 CarbonylContact O-C 3.55Å; G115-E144 WeakPolarHBondContact O-CA 3.18Å; G115-T145 PolarHBondContact O-N 2.76Å
116N98.6Very high95.1Very high2 Ų258.3 Ų58.31%0.01129%0.29CS..EExtended strand (participates in β ladder)trans-91.4163.5-177.4-168.536.1000112.4V14 L19 V81 Y82 L84 T145 A147V14-N116 PolarHBondContact O-ND2 2.93Å; L19-N116 HydrophobicContact CD1-CB 4.33Å; V81-N116 HydrophobicContact CG1-CB 3.82Å; Y82-N116 PolarHBondContact O-N 2.84Å; L84-N116 WeakPolarHBondContact CG-O 3.48Å; L84-N116 PolarHBondContact N-O 3.04Å; N116-T145 CarbonylContact C-O 3.49Å; N116-T145 WeakPolarHBondContact CA-O 3.2Å; N116-T145 PolarHBondContact OD1-O 2.82Å; N116-T145 VanDerWaalsContact OD1-O 3.14Å; N116-T145 PolarHBondContact OD1-OG1 3.32Å; N116-A147 PolarHBondContact OD1-N 2.9Å
117K97.7Very high96Very high56 Ų5653.3 Ų53.324%0.24328%0.278CS..  trans72.138.2-179.6-44.5-174.6-169.31740114G13 V85 D119 L120 T145G13-K117 WeakPolarHBondContact O-CE 3.34Å; G13-K117 PolarHBondContact O-NZ 3.32Å; V85-K117 HydrophobicContact CG2-CD 4.07Å; K117-D119 WeakPolarHBondContact CA-OD1 3.33Å; K117-D119 PolarHBondContact O-N 3.04Å; K117-D119 VanDerWaalsContact O-N 3.11Å; K117-L120 HydrophobicContact CB-CD1 4.13Å; K117-L120 HydrophobicContact CB-CG 4.39Å; K117-L120 HydrophobicContact CD-CD1 4.09Å; K117-L120 PolarHBondContact O-N 2.9Å; K117-T145 PolarHBondContact N-O 3.38Å
118V98Very high97.2Very high47 Ų4745.4 Ų45.429%0.28525%0.248SC..G310 helixtrans-61-17.8173.770.80000112.8L84 L120 E144 T145L84-V118 HydrophobicContact CD1-CB 3.76Å; L84-V118 HydrophobicContact CD1-CG2 4.17Å; V118-L120 PolarHBondContact O-N 2.86Å; V118-E144 HydrophobicContact CB-CB 4.38Å; V118-E144 HydrophobicContact CG2-CB 4.4Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.48Å; V118-T145 PolarHBondContact N-O 2.98Å; V118-T145 VanDerWaalsContact N-O 3.17Å
119D97.3Very high97.8Very high50 Ų5041.8 Ų41.827%0.26725%0.25SS..G310 helixtrans-66.1-14.6171.456.9-77.4000114.3K117 S146 K148 N149K117-D119 WeakPolarHBondContact CA-OD1 3.33Å; K117-D119 PolarHBondContact O-N 3.04Å; K117-D119 VanDerWaalsContact O-N 3.11Å; D119-S146 VanDerWaalsContact CG-OG 3.26Å; D119-S146 VanDerWaalsContact OD1-CB 3.27Å; D119-S146 WeakPolarHBondContact OD1-CB 3.4Å; D119-S146 PolarHBondContact OD1-OG 3.27Å; D119-K148 VanDerWaalsContact OD2-CD 3.27Å; D119-K148 WeakPolarHBondContact OD2-CD 3.44Å; D119-N149 WeakPolarHBondContact CB-ND2 3.45Å
120L96.6Very high98Very high51 Ų5144.8 Ų44.827%0.26726%0.263SS..G310 helixtrans-102.143.9177.8-58.1179.5000112V85 K117 V118 G122 E123 R124V85-L120 HydrophobicContact CG1-CB 3.58Å; V85-L120 HydrophobicContact CG1-CD1 4.23Å; V85-L120 HydrophobicContact CG2-CD1 4.05Å; K117-L120 HydrophobicContact CB-CD1 4.13Å; K117-L120 HydrophobicContact CB-CG 4.39Å; K117-L120 HydrophobicContact CD-CD1 4.09Å; K117-L120 PolarHBondContact O-N 2.9Å; V118-L120 PolarHBondContact O-N 2.86Å; L120-G122 PolarHBondContact O-N 3.17Å; L120-G122 VanDerWaalsContact O-N 3.11Å; L120-E123 PolarHBondContact O-N 3.02Å; L120-R124 PolarHBondContact O-N 3.2Å
121E96Very high98Very high106 Ų10644.1 Ų44.150%0.49526%0.259SS..G310 helixtrans-55.5-32.5-175.3-167.661.4-148.900113.5E123 R124E121-E123 PolarHBondContact O-N 3.37Å; E121-R124 WeakPolarHBondContact O-CB 3.04Å; E121-R124 PolarHBondContact O-N 3.15Å; E121-R124 WeakPolarHBondContact OE1-CD 2.98Å; E121-R124 IonicContact OE1-CZ 3.34Å; E121-R124 IonicContact OE1-NE 3.07Å; E121-R124 PolarHBondContact OE1-NE 2.76Å; E121-R124 IonicContact OE1-NH2 2.76Å; E121-R124 IonicContact OE2-CZ 3.65Å; E121-R124 IonicContact OE2-NE 3.63Å; E121-R124 PolarHBondContact OE2-NE 2.98Å; E121-R124 IonicContact OE2-NH2 2.65Å; E121-R124 PolarHBondContact OE2-NH2 3.31Å
122G97.4Very high98.1Very high86 Ų8648.2 Ų48.289%0.88728%0.276SS*.G310 helixtrans-69.6-14.2177.300000115L120L120-G122 PolarHBondContact O-N 3.17Å; L120-G122 VanDerWaalsContact O-N 3.11Å
123E97.9Very high98.1Very high126 Ų12651 Ų5159%0.58930%0.3SS*.G310 helixtrans-11210.8179-65.6173.4-13000111.4V85 L120 E121 E125V85-E123 WeakPolarHBondContact CA-O 3.31Å; V85-E123 HydrophobicContact CB-CB 4.09Å; V85-E123 WeakPolarHBondContact CB-O 3.3Å; V85-E123 HydrophobicContact CG1-CB 3.66Å; V85-E123 WeakPolarHBondContact CG1-O 3.4Å; L120-E123 PolarHBondContact O-N 3.02Å; E121-E123 PolarHBondContact O-N 3.37Å; E123-E125 PolarHBondContact O-N 2.77Å
124R98.5Very high98.1Very high58 Ų5851.4 Ų51.422%0.21930%0.302CS..  trans-61.4125.9-175.3-179.7-176.7-74.8-93.87.7111.3L120 E121 V126 E144L120-R124 PolarHBondContact O-N 3.2Å; E121-R124 WeakPolarHBondContact O-CB 3.04Å; E121-R124 PolarHBondContact O-N 3.15Å; E121-R124 WeakPolarHBondContact OE1-CD 2.98Å; E121-R124 IonicContact OE1-CZ 3.34Å; E121-R124 IonicContact OE1-NE 3.07Å; E121-R124 PolarHBondContact OE1-NE 2.76Å; E121-R124 IonicContact OE1-NH2 2.76Å; E121-R124 IonicContact OE2-CZ 3.65Å; E121-R124 IonicContact OE2-NE 3.63Å; E121-R124 PolarHBondContact OE2-NE 2.98Å; E121-R124 IonicContact OE2-NH2 2.65Å; E121-R124 PolarHBondContact OE2-NH2 3.31Å; R124-V126 WeakPolarHBondContact CD-O 3.44Å; R124-V126 WeakPolarHBondContact CG-O 3.06Å; R124-V126 PolarHBondContact NH1-O 2.75Å; R124-E144 IonicContact CZ-OE1 3.23Å; R124-E144 IonicContact CZ-OE2 3.52Å; R124-E144 IonicContact NH1-OE1 2.7Å; R124-E144 PolarHBondContact NH1-OE1 3.46Å; R124-E144 IonicContact NH1-OE2 3.93Å; R124-E144 IonicContact NH2-OE1 3.43Å; R124-E144 IonicContact NH2-OE2 2.9Å; R124-E144 PolarHBondContact NH2-OE2 2.82Å
125E98.4Very high98Very high111 Ų11151.4 Ų51.452%0.51930%0.302SS..  trans-105.4-32.3173.2-62.1-175.5-177.400111.7L84 N86 Q87 E123L84-E125 PolarHBondContact O-N 3.41Å; N86-E125 WeakPolarHBondContact CA-OE2 3.4Å; Q87-E125 HydrophobicContact CB-CB 4.29Å; Q87-E125 WeakPolarHBondContact CB-OE2 3.27Å; Q87-E125 PolarHBondContact N-OE2 3.15Å; Q87-E125 PolarHBondContact OE1-O 3Å; E123-E125 PolarHBondContact O-N 2.77Å
126V98.4Very high98Very high0 Ų055.7 Ų55.70%033%0.325CS..SBendtrans-107.7122.4-179.9-173.20000110.2Y82 L84 F90 R124 E130Y82-V126 HydrophobicContact CD2-CG2 4.32Å; Y82-V126 HydrophobicContact CE2-CB 3.92Å; Y82-V126 HydrophobicContact CE2-CG1 3.68Å; Y82-V126 HydrophobicContact CE2-CG2 4.04Å; L84-V126 PolarHBondContact O-N 3.47Å; F90-V126 HydrophobicContact CB-CG2 3.73Å; F90-V126 HydrophobicContact CD1-CG1 4.11Å; F90-V126 HydrophobicContact CD1-CG2 4.39Å; F90-V126 HydrophobicContact CD2-CG1 4.08Å; F90-V126 HydrophobicContact CE1-CG1 4.3Å; F90-V126 HydrophobicContact CE2-CG1 4.26Å; F90-V126 HydrophobicContact CG-CG1 4Å; F90-V126 HydrophobicContact CG-CG2 4.06Å; F90-V126 HydrophobicContact CZ-CG1 4.37Å; R124-V126 WeakPolarHBondContact CD-O 3.44Å; R124-V126 WeakPolarHBondContact CG-O 3.06Å; R124-V126 PolarHBondContact NH1-O 2.75Å; V126-E130 HydrophobicContact CG1-CB 4.04Å
127S98.4Very high98Very high49 Ų4962.1 Ų62.134%0.34336%0.355SS..  trans-74.1153176.468.70000112.5G129 E130 G131S127-G129 PolarHBondContact O-N 2.75Å; S127-E130 WeakPolarHBondContact CB-OE2 3.23Å; S127-E130 PolarHBondContact N-OE2 3.18Å; S127-E130 PolarHBondContact O-N 2.79Å; S127-E130 VanDerWaalsContact O-N 3.16Å; S127-E130 VanDerWaalsContact OG-CG 3.32Å; S127-E130 WeakPolarHBondContact OG-CG 3.05Å; S127-E130 PolarHBondContact OG-N 2.95Å; S127-E130 PolarHBondContact OG-OE2 3.29Å; S127-G131 PolarHBondContact O-N 3.04Å
128A97.6Very high97.8Very high46 Ų4660.8 Ų60.838%0.3835%0.348SS..Hα-helixtrans-58-31.117200000112.2K132 E144A128-K132 VanDerWaalsContact O-CB 3.25Å; A128-K132 WeakPolarHBondContact O-CB 3.08Å; A128-K132 PolarHBondContact O-N 3.08Å; A128-E144 WeakPolarHBondContact CA-OE1 3.14Å; A128-E144 WeakPolarHBondContact CB-OE1 3.17Å
129G98.6Very high97.7Very high50 Ų5065 Ų6552%0.51537%0.369SS..Hα-helixtrans-65.5-41.3176.500000113S127 K132 A133S127-G129 PolarHBondContact O-N 2.75Å; G129-K132 PolarHBondContact O-N 3.12Å; G129-A133 VanDerWaalsContact O-CB 3.26Å; G129-A133 WeakPolarHBondContact O-CB 3.16Å; G129-A133 PolarHBondContact O-N 3.45Å
130E98.4Very high97.7Very high78 Ų7863.3 Ų63.336%0.36436%0.361SS..Hα-helixtrans-64.8-46175.3-74164.4102.100111.8F90 V126 S127 K132 A133 L134F90-E130 HydrophobicContact CE1-CB 4.22Å; F90-E130 HydrophobicContact CZ-CB 4.16Å; V126-E130 HydrophobicContact CG1-CB 4.04Å; S127-E130 WeakPolarHBondContact CB-OE2 3.23Å; S127-E130 PolarHBondContact N-OE2 3.18Å; S127-E130 PolarHBondContact O-N 2.79Å; S127-E130 VanDerWaalsContact O-N 3.16Å; S127-E130 VanDerWaalsContact OG-CG 3.32Å; S127-E130 WeakPolarHBondContact OG-CG 3.05Å; S127-E130 PolarHBondContact OG-N 2.95Å; S127-E130 PolarHBondContact OG-OE2 3.29Å; E130-K132 PolarHBondContact O-N 3.09Å; E130-A133 PolarHBondContact O-N 3.45Å; E130-L134 PolarHBondContact O-N 3.49Å
131G98.4Very high97.8Very high0 Ų062.3 Ų62.30%036%0.357CS..Hα-helixtrans-60.4-45.4176.300000112.1Y82 L113 S127 L134 A135Y82-G131 WeakPolarHBondContact OH-CA 3.35Å; L113-G131 WeakPolarHBondContact CD2-O 3.37Å; S127-G131 PolarHBondContact O-N 3.04Å; G131-L134 PolarHBondContact O-N 3.01Å; G131-A135 PolarHBondContact O-N 2.89Å
132K98.6Very high97.9Very high96 Ų9659.1 Ų59.142%0.41734%0.342SS..Hα-helixtrans-63.7-46.2177.7-178.853.9178.4154.10112.3A128 G129 E130 L134 A135 D136 F142A128-K132 VanDerWaalsContact O-CB 3.25Å; A128-K132 WeakPolarHBondContact O-CB 3.08Å; A128-K132 PolarHBondContact O-N 3.08Å; G129-K132 PolarHBondContact O-N 3.12Å; E130-K132 PolarHBondContact O-N 3.09Å; K132-L134 VanDerWaalsContact C-N 3.31Å; K132-L134 PolarHBondContact O-N 3.39Å; K132-A135 PolarHBondContact O-N 3.39Å; K132-D136 VanDerWaalsContact CE-OD1 3.32Å; K132-D136 WeakPolarHBondContact CE-OD1 3.27Å; K132-D136 WeakPolarHBondContact CE-OD2 3.42Å; K132-D136 IonicContact NZ-OD1 3.52Å; K132-D136 PolarHBondContact NZ-OD1 2.92Å; K132-D136 IonicContact NZ-OD2 3.58Å; K132-D136 VanDerWaalsContact O-CG 3.28Å; K132-D136 PolarHBondContact O-N 3.44Å; K132-F142 HydrophobicContact CB-CD1 4.09Å; K132-F142 HydrophobicContact CB-CE1 4.46Å; K132-F142 HydrophobicContact CD-CB 4.5Å; K132-F142 HydrophobicContact CD-CD1 4.49Å
133A98.7Very high98Very high60 Ų6056.5 Ų56.550%0.49631%0.307SS..Hα-helixtrans-60.1-40.8178.300000112.1G129 E130 D136 E137G129-A133 VanDerWaalsContact O-CB 3.26Å; G129-A133 WeakPolarHBondContact O-CB 3.16Å; G129-A133 PolarHBondContact O-N 3.45Å; E130-A133 PolarHBondContact O-N 3.45Å; A133-D136 PolarHBondContact O-N 2.8Å; A133-E137 PolarHBondContact O-N 3.11Å
134L98.4Very high98Very high7 Ų752.5 Ų52.54%0.03729%0.288CS..Hα-helixtrans-66.5-41.3176.8-17761000112.3F90 I93 K94 L113 E130 G131 K132 D136 E137 W138F90-L134 HydrophobicContact CD2-CD2 4.32Å; F90-L134 HydrophobicContact CE1-CD2 4.5Å; F90-L134 HydrophobicContact CE2-CB 4.34Å; F90-L134 HydrophobicContact CE2-CD2 3.49Å; F90-L134 VanDerWaalsContact CE2-CD2 3.49Å; F90-L134 HydrophobicContact CZ-CB 4.02Å; F90-L134 HydrophobicContact CZ-CD2 3.6Å; F90-L134 HydrophobicContact CZ-CG 4.44Å; I93-L134 HydrophobicContact CG2-CD2 4.03Å; K94-L134 HydrophobicContact CG-CD1 4.32Å; L113-L134 HydrophobicContact CD2-CB 4.11Å; L113-L134 HydrophobicContact CD2-CD2 3.99Å; L113-L134 HydrophobicContact CD2-CG 4.09Å; E130-L134 PolarHBondContact O-N 3.49Å; G131-L134 PolarHBondContact O-N 3.01Å; K132-L134 VanDerWaalsContact C-N 3.31Å; K132-L134 PolarHBondContact O-N 3.39Å; L134-D136 VanDerWaalsContact C-N 3.33Å; L134-E137 WeakPolarHBondContact O-CB 3.32Å; L134-E137 PolarHBondContact O-N 2.95Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 HydrophobicContact CD1-CZ2 3.73Å; L134-W138 HydrophobicContact CD2-CH2 3.99Å; L134-W138 HydrophobicContact CD2-CZ2 3.86Å; L134-W138 HydrophobicContact CG-CD2 4.24Å; L134-W138 HydrophobicContact CG-CH2 4.26Å; L134-W138 HydrophobicContact CG-CZ2 3.85Å; L134-W138 PolarHBondContact O-N 3.13Å; L134-W138 VanDerWaalsContact O-N 3.11Å
135A98.3Very high98Very high0 Ų049.7 Ų49.70%028%0.278CS..Hα-helixtrans-66.8-35.517700000112.7L113 G131 K132 W138 N139 C140 F142L113-A135 HydrophobicContact CB-CB 4.34Å; L113-A135 HydrophobicContact CD2-CB 4.1Å; G131-A135 PolarHBondContact O-N 2.89Å; K132-A135 PolarHBondContact O-N 3.39Å; A135-W138 CarbonylContact O-C 3.58Å; A135-W138 PolarHBondContact O-N 2.95Å; A135-N139 PolarHBondContact O-N 3.34Å; A135-C140 PolarHBondContact O-N 3.16Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.4Å
136D98.2Very high98Very high91 Ų9144.5 Ų44.549%0.48725%0.254SS..Hα-helixtrans-65.3-40.6173.8-70-22000111.3K132 A133 L134 W138 N139K132-D136 VanDerWaalsContact CE-OD1 3.32Å; K132-D136 WeakPolarHBondContact CE-OD1 3.27Å; K132-D136 WeakPolarHBondContact CE-OD2 3.42Å; K132-D136 IonicContact NZ-OD1 3.52Å; K132-D136 PolarHBondContact NZ-OD1 2.92Å; K132-D136 IonicContact NZ-OD2 3.58Å; K132-D136 VanDerWaalsContact O-CG 3.28Å; K132-D136 PolarHBondContact O-N 3.44Å; A133-D136 PolarHBondContact O-N 2.8Å; L134-D136 VanDerWaalsContact C-N 3.33Å; D136-W138 PolarHBondContact O-N 2.74Å; D136-N139 PolarHBondContact O-N 2.62Å; D136-N139 VanDerWaalsContact O-N 3.15Å
137E97.3Very high97.8Very high137 Ų13744.7 Ų44.764%0.6426%0.255SS*.Hα-helixtrans-57.5-37.5171.4-173.4-170.6157.100111.6A133 L134A133-E137 PolarHBondContact O-N 3.11Å; L134-E137 WeakPolarHBondContact O-CB 3.32Å; L134-E137 PolarHBondContact O-N 2.95Å
138W95.6Very high97.6Very high28 Ų2847.2 Ų47.211%0.10626%0.26CS..Hα-helixtrans-86.8-6.6-179.6-64-4.9000114.4L80 I93 K94 R97 M111 L113 L134 A135 D136 C140L80-W138 HydrophobicContact CD1-CZ3 4.05Å; I93-W138 HydrophobicContact CG1-CH2 4.49Å; I93-W138 HydrophobicContact CG2-CH2 3.83Å; K94-W138 HydrophobicContact CG-CZ2 3.85Å; R97-W138 HydrophobicContact CB-CH2 3.71Å; R97-W138 HydrophobicContact CB-CZ2 3.91Å; R97-W138 HydrophobicContact CB-CZ3 4.12Å; R97-W138 HydrophobicContact CG-CD2 4.08Å; R97-W138 HydrophobicContact CG-CE3 4.16Å; R97-W138 HydrophobicContact CG-CH2 4.07Å; R97-W138 HydrophobicContact CG-CZ2 4.04Å; R97-W138 HydrophobicContact CG-CZ3 4.15Å; M111-W138 HydrophobicContact SD-CE3 4.05Å; M111-W138 HydrophobicContact SD-CZ3 4.48Å; L113-W138 HydrophobicContact CB-CZ3 4.48Å; L113-W138 HydrophobicContact CD1-CZ3 3.94Å; L113-W138 HydrophobicContact CD2-CZ3 4.4Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 HydrophobicContact CD1-CZ2 3.73Å; L134-W138 HydrophobicContact CD2-CH2 3.99Å; L134-W138 HydrophobicContact CD2-CZ2 3.86Å; L134-W138 HydrophobicContact CG-CD2 4.24Å; L134-W138 HydrophobicContact CG-CH2 4.26Å; L134-W138 HydrophobicContact CG-CZ2 3.85Å; L134-W138 PolarHBondContact O-N 3.13Å; L134-W138 VanDerWaalsContact O-N 3.11Å; A135-W138 CarbonylContact O-C 3.58Å; A135-W138 PolarHBondContact O-N 2.95Å; D136-W138 PolarHBondContact O-N 2.74Å; W138-C140 VanDerWaalsContact C-N 3.26Å; W138-C140 PolarHBondContact O-N 2.91Å
139N95.1Very high97.4Very high135 Ų13550.2 Ų50.272%0.72227%0.27SS*.THydrogen-bonded Turntrans51.844.6-172-165.827.3000112.3A135 D136A135-N139 PolarHBondContact O-N 3.34Å; D136-N139 PolarHBondContact O-N 2.62Å; D136-N139 VanDerWaalsContact O-N 3.15Å
140C96.9Very high97.1Very high14 Ų1452 Ų5210%0.09526%0.263CS..  trans-126.3161.3176.375.80000111.7M111 A135 W138M111-C140 HydrophobicContact CB-CB 4.3Å; M111-C140 HydrophobicContact CG-CB 4.03Å; A135-C140 PolarHBondContact O-N 3.16Å; W138-C140 VanDerWaalsContact C-N 3.26Å; W138-C140 PolarHBondContact O-N 2.91Å
141P98.3Very high96.8Very high30 Ų3049.6 Ų49.620%0.19526%0.259CS..  trans-63.8155.9171.9-18.431.7000112.5M111 I112 L113 E159 Q163M111-P141 VanDerWaalsContact O-CD 3.31Å; M111-P141 WeakPolarHBondContact O-CD 3.3Å; I112-P141 HydrophobicContact CD1-CB 3.99Å; I112-P141 HydrophobicContact CG1-CB 4.02Å; L113-P141 PolarHBondContact N-O 3.49Å; P141-E159 HydrophobicContact CB-CG 4.26Å; P141-E159 HydrophobicContact CG-CG 4.25Å; P141-Q163 HydrophobicContact CG-CG 3.96Å
142F98.7Very high96.7Very high40 Ų4052.5 Ų52.518%0.17528%0.28CS..EExtended strand (participates in β ladder)trans-128.4137.5173.5173.9-117.9000109.9Y82 L113 K132 A135 E144Y82-F142 HydrophobicContact CE1-CE2 4.16Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.22Å; L113-F142 HydrophobicContact CB-CD2 4.31Å; L113-F142 HydrophobicContact CD2-CD2 4.15Å; L113-F142 HydrophobicContact CG-CD2 4.05Å; L113-F142 WeakPolarHBondContact O-CA 3.46Å; K132-F142 HydrophobicContact CB-CD1 4.09Å; K132-F142 HydrophobicContact CB-CE1 4.46Å; K132-F142 HydrophobicContact CD-CB 4.5Å; K132-F142 HydrophobicContact CD-CD1 4.49Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.4Å; F142-E144 HydrophobicContact CE1-CG 3.98Å; F142-E144 HydrophobicContact CE2-CG 4.49Å; F142-E144 HydrophobicContact CZ-CG 3.6Å
143M98.6Very high96.6Very high31 Ų3148 Ų4815%0.15326%0.26CS..EExtended strand (participates in β ladder)trans-139.8143173.1-68.7178.368.500111.1I112 L113 V114 G115 E155 L156 E159I112-M143 HydrophobicContact CD1-CB 4.46Å; I112-M143 HydrophobicContact CD1-CG 3.88Å; I112-M143 HydrophobicContact CD1-SD 3.57Å; I112-M143 VanDerWaalsContact CD1-SD 3.57Å; L113-M143 PolarHBondContact O-N 3.35Å; V114-M143 VanDerWaalsContact CA-O 3.3Å; V114-M143 WeakPolarHBondContact CA-O 3.47Å; G115-M143 PolarHBondContact N-O 3.33Å; M143-E155 HydrophobicContact CE-CB 3.84Å; M143-E155 HydrophobicContact CE-CG 3.72Å; M143-L156 HydrophobicContact CE-CB 4.29Å; M143-L156 HydrophobicContact SD-CB 4.33Å; M143-E159 HydrophobicContact SD-CB 4.39Å
144E98.6Very high96.5Very high41 Ų4148.3 Ų48.319%0.19225%0.254CS..EExtended strand (participates in β ladder)trans-96.9136.7162.2-65.5-166.1164.400110L84 G115 V118 R124 A128 F142L84-E144 HydrophobicContact CD1-CB 4.42Å; L84-E144 HydrophobicContact CD1-CG 4.2Å; L84-E144 HydrophobicContact CD2-CG 4.45Å; G115-E144 CarbonylContact O-C 3.55Å; G115-E144 WeakPolarHBondContact O-CA 3.18Å; V118-E144 HydrophobicContact CB-CB 4.38Å; V118-E144 HydrophobicContact CG2-CB 4.4Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.48Å; R124-E144 IonicContact CZ-OE1 3.23Å; R124-E144 IonicContact CZ-OE2 3.52Å; R124-E144 IonicContact NH1-OE1 2.7Å; R124-E144 PolarHBondContact NH1-OE1 3.46Å; R124-E144 IonicContact NH1-OE2 3.93Å; R124-E144 IonicContact NH2-OE1 3.43Å; R124-E144 IonicContact NH2-OE2 2.9Å; R124-E144 PolarHBondContact NH2-OE2 2.82Å; A128-E144 WeakPolarHBondContact CA-OE1 3.14Å; A128-E144 WeakPolarHBondContact CB-OE1 3.17Å; F142-E144 HydrophobicContact CE1-CG 3.98Å; F142-E144 HydrophobicContact CE2-CG 4.49Å; F142-E144 HydrophobicContact CZ-CG 3.6Å
145T98.6Very high96.5Very high0 Ų052.2 Ų52.20%027%0.271CS..EExtended strand (participates in β ladder)trans-131.8156.4-174.361.90000112V114 G115 N116 K117 V118 G151 L156V114-T145 HydrophobicContact CG1-CG2 3.74Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.48Å; G115-T145 PolarHBondContact O-N 2.76Å; N116-T145 CarbonylContact C-O 3.49Å; N116-T145 WeakPolarHBondContact CA-O 3.2Å; N116-T145 PolarHBondContact OD1-O 2.82Å; N116-T145 VanDerWaalsContact OD1-O 3.14Å; N116-T145 PolarHBondContact OD1-OG1 3.32Å; K117-T145 PolarHBondContact N-O 3.38Å; V118-T145 PolarHBondContact N-O 2.98Å; V118-T145 VanDerWaalsContact N-O 3.17Å; T145-G151 WeakPolarHBondContact CA-O 3.25Å; T145-L156 HydrophobicContact CG2-CB 4.44Å; T145-L156 HydrophobicContact CG2-CD2 4.21Å
146S97.8Very high96.5Very high2 Ų252.2 Ų52.21%0.01427%0.272CS..BIsolated β-bridgetrans-128.3109.3164174.30000109D119 K148 N149 K150 G151D119-S146 VanDerWaalsContact CG-OG 3.26Å; D119-S146 VanDerWaalsContact OD1-CB 3.27Å; D119-S146 WeakPolarHBondContact OD1-CB 3.4Å; D119-S146 PolarHBondContact OD1-OG 3.27Å; S146-K148 PolarHBondContact O-N 2.92Å; S146-K148 PolarHBondContact OG-N 3.14Å; S146-N149 PolarHBondContact OG-N 3.35Å; S146-K150 CarbonylContact O-C 3.48Å; S146-K150 WeakPolarHBondContact O-CA 3.47Å; S146-K150 PolarHBondContact O-N 2.87Å; S146-G151 PolarHBondContact N-O 3.03Å; S146-G151 PolarHBondContact O-N 3.39Å
147A95.7Very high96.5Very high3 Ų348 Ų483%0.02525%0.249CC..THydrogen-bonded Turntrans-58.2-38168.600000111.2A18 L19 Q22 F28 N116 K150A18-A147 HydrophobicContact CB-CB 3.68Å; L19-A147 HydrophobicContact CD2-CB 3.92Å; L19-A147 HydrophobicContact CG-CB 4.18Å; Q22-A147 WeakPolarHBondContact CG-O 3.42Å; Q22-A147 PolarHBondContact NE2-O 2.82Å; F28-A147 HydrophobicContact CD2-CB 4.18Å; F28-A147 HydrophobicContact CE2-CB 4.08Å; N116-A147 PolarHBondContact OD1-N 2.9Å; A147-K150 PolarHBondContact O-N 2.61Å
148K94.4Very high96.6Very high103 Ų10342 Ų4245%0.44822%0.223SC..THydrogen-bonded Turntrans-62-47.8-178.3-172-178.9-176177.10112.6F28 D119 S146F28-K148 HydrophobicContact CD1-CG 4.25Å; F28-K148 HydrophobicContact CD2-CB 4.46Å; F28-K148 HydrophobicContact CE1-CB 4.31Å; F28-K148 HydrophobicContact CE1-CG 4.07Å; F28-K148 HydrophobicContact CE2-CB 4.22Å; F28-K148 HydrophobicContact CZ-CB 4.15Å; F28-K148 HydrophobicContact CZ-CG 4.38Å; D119-K148 VanDerWaalsContact OD2-CD 3.27Å; D119-K148 WeakPolarHBondContact OD2-CD 3.44Å; S146-K148 PolarHBondContact O-N 2.92Å; S146-K148 PolarHBondContact OG-N 3.14Å
149N92.9Very high96.7Very high109 Ų10942.3 Ų42.358%0.58323%0.225SC*.THydrogen-bonded Turntrans-98.67.7-175.4-61.4-16.5000113.1D119 S146 G151D119-N149 WeakPolarHBondContact CB-ND2 3.45Å; S146-N149 PolarHBondContact OG-N 3.35Å; N149-G151 PolarHBondContact O-N 3.36Å; N149-G151 VanDerWaalsContact O-N 3.1Å
150K92.1Very high96.8Very high87 Ų8735.9 Ų35.938%0.37819%0.191SC..THydrogen-bonded Turntrans56.619.1-172.2-154.4-177.8174.3-156.80113.7Q22 S146 A147 S152 V153 D154Q22-K150 HydrophobicContact CG-CB 4.28Å; Q22-K150 HydrophobicContact CG-CG 3.93Å; S146-K150 CarbonylContact O-C 3.48Å; S146-K150 WeakPolarHBondContact O-CA 3.47Å; S146-K150 PolarHBondContact O-N 2.87Å; A147-K150 PolarHBondContact O-N 2.61Å; K150-S152 PolarHBondContact O-N 3.33Å; K150-V153 HydrophobicContact CG-CB 4.31Å; K150-V153 HydrophobicContact CG-CG2 4.49Å; K150-D154 WeakPolarHBondContact CE-OD2 3.49Å; K150-D154 IonicContact NZ-OD1 3.03Å; K150-D154 IonicContact NZ-OD2 3.79Å; K150-D154 PolarHBondContact NZ-OD2 3.36Å
151G91.9Very high96.9Very high27 Ų2735.2 Ų35.228%0.27819%0.186SC..BIsolated β-bridgetrans-66.1118.7-179.100000111T145 S146 N149 V153T145-G151 WeakPolarHBondContact CA-O 3.25Å; S146-G151 PolarHBondContact N-O 3.03Å; S146-G151 PolarHBondContact O-N 3.39Å; N149-G151 PolarHBondContact O-N 3.36Å; N149-G151 VanDerWaalsContact O-N 3.1Å; G151-V153 PolarHBondContact O-N 3.04Å; G151-V153 VanDerWaalsContact O-N 3.1Å
152S95.4Very high96.8Very high62 Ų6235.9 Ų35.943%0.43419%0.185SC..THydrogen-bonded Turntrans60.813.3176.6-51.20000115.9K150 L156K150-S152 PolarHBondContact O-N 3.33Å; S152-L156 WeakPolarHBondContact O-CB 3.45Å; S152-L156 PolarHBondContact O-N 3.1Å
153V97.4Very high96.7Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-69.1-48.8-177.3177.80000111.7L19 Q22 F23 K150 G151 E155 L156 F157L19-V153 HydrophobicContact CD2-CG2 3.87Å; Q22-V153 HydrophobicContact CB-CG1 4.46Å; Q22-V153 HydrophobicContact CG-CG1 4.29Å; Q22-V153 HydrophobicContact CG-CG2 4.28Å; F23-V153 HydrophobicContact CB-CG1 3.81Å; K150-V153 HydrophobicContact CG-CB 4.31Å; K150-V153 HydrophobicContact CG-CG2 4.49Å; G151-V153 PolarHBondContact O-N 3.04Å; G151-V153 VanDerWaalsContact O-N 3.1Å; V153-E155 VanDerWaalsContact C-N 3.32Å; V153-E155 PolarHBondContact O-N 3.43Å; V153-L156 WeakPolarHBondContact O-CB 3.25Å; V153-L156 PolarHBondContact O-N 3.2Å; V153-F157 HydrophobicContact CG1-CD2 4.4Å; V153-F157 HydrophobicContact CG1-CE2 4.26Å; V153-F157 WeakPolarHBondContact O-CD2 3.28Å; V153-F157 PolarHBondContact O-N 2.88Å
154D96.9Very high96.5Very high68 Ų6833.7 Ų33.736%0.36418%0.175SC..Hα-helixtrans-64.8-39.7-179.5-68.4-35.9000111.1F23 K150 F157 A158F23-D154 WeakPolarHBondContact CD2-OD1 3.5Å; K150-D154 WeakPolarHBondContact CE-OD2 3.49Å; K150-D154 IonicContact NZ-OD1 3.03Å; K150-D154 IonicContact NZ-OD2 3.79Å; K150-D154 PolarHBondContact NZ-OD2 3.36Å; D154-F157 PolarHBondContact O-N 3.27Å; D154-A158 PolarHBondContact O-N 2.84Å; D154-A158 VanDerWaalsContact O-N 3.09Å
155E98.1Very high96.2Very high88 Ų8834.4 Ų34.441%0.41118%0.18SC..Hα-helixtrans-66.7-35.8178.1-175.658.8-154.700112.5M143 V153 F157 A158 E159 R162M143-E155 HydrophobicContact CE-CB 3.84Å; M143-E155 HydrophobicContact CE-CG 3.72Å; V153-E155 VanDerWaalsContact C-N 3.32Å; V153-E155 PolarHBondContact O-N 3.43Å; E155-F157 PolarHBondContact O-N 3.37Å; E155-A158 PolarHBondContact O-N 3.1Å; E155-E159 WeakPolarHBondContact O-CB 3.5Å; E155-E159 PolarHBondContact O-N 2.93Å; E155-R162 IonicContact OE1-CZ 2.8Å; E155-R162 IonicContact OE1-NH1 3.64Å; E155-R162 PolarHBondContact OE1-NH1 3.26Å; E155-R162 IonicContact OE1-NH2 3.76Å; E155-R162 PolarHBondContact OE1-NH2 3.11Å; E155-R162 IonicContact OE2-NH2 3.52Å
156L98.6Very high95.5Very high1 Ų142.6 Ų42.61%0.00521%0.212CC..Hα-helixtrans-56.1-49.7174.3163.360.8000111.8L19 I79 I112 V114 M143 T145 S152 V153 E159 I160L19-L156 HydrophobicContact CD1-CD2 4.24Å; I79-L156 HydrophobicContact CD1-CD1 4.2Å; I79-L156 HydrophobicContact CD1-CG 4.22Å; I79-L156 HydrophobicContact CG1-CD1 4.39Å; I79-L156 HydrophobicContact CG2-CD1 3.99Å; I79-L156 HydrophobicContact CG2-CD2 4.23Å; I112-L156 HydrophobicContact CD1-CD1 3.86Å; I112-L156 HydrophobicContact CG1-CD1 4.31Å; I112-L156 HydrophobicContact CG2-CD1 3.65Å; V114-L156 HydrophobicContact CG1-CD2 4.26Å; V114-L156 HydrophobicContact CG2-CD1 3.42Å; V114-L156 VanDerWaalsContact CG2-CD1 3.42Å; V114-L156 HydrophobicContact CG2-CD2 4.06Å; V114-L156 HydrophobicContact CG2-CG 4.39Å; M143-L156 HydrophobicContact CE-CB 4.29Å; M143-L156 HydrophobicContact SD-CB 4.33Å; T145-L156 HydrophobicContact CG2-CB 4.44Å; T145-L156 HydrophobicContact CG2-CD2 4.21Å; S152-L156 WeakPolarHBondContact O-CB 3.45Å; S152-L156 PolarHBondContact O-N 3.1Å; V153-L156 WeakPolarHBondContact O-CB 3.25Å; V153-L156 PolarHBondContact O-N 3.2Å; L156-E159 PolarHBondContact O-N 3.1Å; L156-I160 PolarHBondContact O-N 3.19Å
157F98.3Very high94.2Very high2 Ų243.9 Ų43.91%0.00922%0.222CC..Hα-helixtrans-74.3-27.4-178.4-73.6-81.5000112.5F23 L53 I55 I79 V153 D154 E155 I160 V161F23-F157 HydrophobicContact CB-CD2 3.57Å; F23-F157 HydrophobicContact CB-CE2 3.41Å; F23-F157 VanDerWaalsContact CB-CE2 3.41Å; F23-F157 HydrophobicContact CB-CG 4.45Å; F23-F157 HydrophobicContact CB-CZ 4.17Å; F23-F157 HydrophobicContact CD1-CB 4.24Å; F23-F157 HydrophobicContact CD1-CD1 4.03Å; F23-F157 AromaticContact CD1-CD2 3.71Å; F23-F157 HydrophobicContact CD1-CD2 3.71Å; F23-F157 HydrophobicContact CD1-CE1 4.31Å; F23-F157 HydrophobicContact CD1-CE2 4.02Å; F23-F157 AromaticContact CD1-CG 3.73Å; F23-F157 HydrophobicContact CD1-CG 3.73Å; F23-F157 HydrophobicContact CD1-CZ 4.3Å; F23-F157 HydrophobicContact CD2-CB 3.94Å; F23-F157 AromaticContact CD2-CD2 3.5Å; F23-F157 HydrophobicContact CD2-CD2 3.5Å; F23-F157 VanDerWaalsContact CD2-CD2 3.5Å; F23-F157 HydrophobicContact CD2-CE2 4.26Å; F23-F157 AromaticContact CD2-CG 3.91Å; F23-F157 HydrophobicContact CD2-CG 3.91Å; F23-F157 HydrophobicContact CE1-CB 3.85Å; F23-F157 HydrophobicContact CE1-CD1 4.07Å; F23-F157 HydrophobicContact CE1-CD2 4.2Å; F23-F157 AromaticContact CE1-CG 3.78Å; F23-F157 HydrophobicContact CE1-CG 3.78Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 HydrophobicContact CE2-CD2 4.02Å; F23-F157 AromaticContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CG-CB 4.27Å; F23-F157 HydrophobicContact CG-CD1 4.46Å; F23-F157 AromaticContact CG-CD2 3.3Å; F23-F157 HydrophobicContact CG-CD2 3.3Å; F23-F157 AromaticContact CG-CE2 3.66Å; F23-F157 HydrophobicContact CG-CE2 3.66Å; F23-F157 AromaticContact CG-CG 3.77Å; F23-F157 HydrophobicContact CG-CG 3.77Å; F23-F157 HydrophobicContact CG-CZ 4.36Å; F23-F157 HydrophobicContact CZ-CB 3.42Å; F23-F157 VanDerWaalsContact CZ-CB 3.42Å; F23-F157 HydrophobicContact CZ-CD2 4.31Å; F23-F157 AromaticContact CZ-CG 3.86Å; F23-F157 HydrophobicContact CZ-CG 3.86Å; L53-F157 HydrophobicContact CD2-CB 4.01Å; L53-F157 HydrophobicContact CD2-CD1 4.12Å; I55-F157 HydrophobicContact CD1-CD1 3.89Å; I55-F157 HydrophobicContact CD1-CE1 3.62Å; I55-F157 HydrophobicContact CD1-CZ 4.33Å; I55-F157 HydrophobicContact CG1-CD1 4.44Å; I55-F157 HydrophobicContact CG1-CE1 4.16Å; I55-F157 HydrophobicContact CG2-CE1 4.14Å; I79-F157 HydrophobicContact CD1-CD1 3.82Å; I79-F157 HydrophobicContact CD1-CE1 3.61Å; I79-F157 HydrophobicContact CD1-CZ 4.21Å; V153-F157 HydrophobicContact CG1-CD2 4.4Å; V153-F157 HydrophobicContact CG1-CE2 4.26Å; V153-F157 WeakPolarHBondContact O-CD2 3.28Å; V153-F157 PolarHBondContact O-N 2.88Å; D154-F157 PolarHBondContact O-N 3.27Å; E155-F157 PolarHBondContact O-N 3.37Å; F157-I160 VanDerWaalsContact O-CG2 3.32Å; F157-I160 WeakPolarHBondContact O-CG2 3.4Å; F157-V161 WeakPolarHBondContact O-CG2 3.22Å
158A98.1Very high92.5Very high12 Ų1245.5 Ų45.510%0.09924%0.235CC..Hα-helixtrans-67.4-43.8168.700000111.4V46 D154 E155 I160 V161 R162V46-A158 HydrophobicContact CG1-CB 4.42Å; V46-A158 HydrophobicContact CG2-CB 4.16Å; D154-A158 PolarHBondContact O-N 2.84Å; D154-A158 VanDerWaalsContact O-N 3.09Å; E155-A158 PolarHBondContact O-N 3.1Å; A158-I160 PolarHBondContact O-N 3.37Å; A158-V161 WeakPolarHBondContact O-CB 3.48Å; A158-V161 PolarHBondContact O-N 3.1Å; A158-V161 VanDerWaalsContact O-N 3.12Å; A158-R162 PolarHBondContact O-N 2.65Å; A158-R162 VanDerWaalsContact O-N 3.08Å
159E98.3Very high90.4Very high33 Ų3346.2 Ų46.215%0.15425%0.25CS..Hα-helixtrans-65.3-40.3-176.1-177.752.4-150.900112.6I112 P141 M143 E155 L156 V161 R162 Q163I112-E159 HydrophobicContact CD1-CB 4.13Å; I112-E159 HydrophobicContact CD1-CG 3.77Å; P141-E159 HydrophobicContact CB-CG 4.26Å; P141-E159 HydrophobicContact CG-CG 4.25Å; M143-E159 HydrophobicContact SD-CB 4.39Å; E155-E159 WeakPolarHBondContact O-CB 3.5Å; E155-E159 PolarHBondContact O-N 2.93Å; L156-E159 PolarHBondContact O-N 3.1Å; E159-V161 PolarHBondContact O-N 2.9Å; E159-R162 WeakPolarHBondContact O-CB 3.31Å; E159-R162 PolarHBondContact O-N 2.96Å; E159-R162 VanDerWaalsContact O-N 3.07Å; E159-R162 IonicContact OE2-CZ 3.64Å; E159-R162 IonicContact OE2-NH1 3.58Å; E159-R162 PolarHBondContact OE2-NH1 2.85Å; E159-Q163 WeakPolarHBondContact O-CG 3.27Å; E159-Q163 PolarHBondContact O-N 3.43Å; E159-Q163 PolarHBondContact OE1-NE2 2.81Å
160I98.1Very high88.1Confident0 Ų044.4 Ų44.40%026%0.257CS..Hα-helixtrans-63.3-31.7176-167.756.3000112.1V6 I79 P110 I112 L156 F157 A158 Q163 M164V6-I160 HydrophobicContact CG1-CG1 4.28Å; V6-I160 HydrophobicContact CG1-CG2 4.21Å; V6-I160 HydrophobicContact CG2-CG1 4.45Å; V6-I160 HydrophobicContact CG2-CG2 3.98Å; I79-I160 HydrophobicContact CD1-CG2 4.18Å; I79-I160 HydrophobicContact CG1-CB 4.3Å; I79-I160 HydrophobicContact CG1-CG1 4.19Å; I79-I160 HydrophobicContact CG1-CG2 4.41Å; P110-I160 HydrophobicContact CB-CD1 4.48Å; I112-I160 HydrophobicContact CG2-CB 4.34Å; I112-I160 HydrophobicContact CG2-CD1 4.18Å; L156-I160 PolarHBondContact O-N 3.19Å; F157-I160 VanDerWaalsContact O-CG2 3.32Å; F157-I160 WeakPolarHBondContact O-CG2 3.4Å; A158-I160 PolarHBondContact O-N 3.37Å; I160-Q163 HydrophobicContact CD1-CB 4.38Å; I160-Q163 PolarHBondContact O-N 3.31Å; I160-M164 HydrophobicContact CG1-CE 4.32Å; I160-M164 HydrophobicContact CG2-CE 4.48Å; I160-M164 WeakPolarHBondContact O-CE 3.05Å; I160-M164 WeakPolarHBondContact O-CG 3.4Å; I160-M164 PolarHBondContact O-N 2.69Å
161V97.5Very high85.9Confident0 Ų050.6 Ų50.60%028%0.278CS..Hα-helixtrans-66.1-43.5172.6175.30000110.9Y4 I44 V46 L53 F157 A158 E159 Q163 M164 N165Y4-V161 HydrophobicContact CD2-CG1 4.18Å; Y4-V161 HydrophobicContact CD2-CG2 4.47Å; Y4-V161 HydrophobicContact CE1-CG1 4.14Å; Y4-V161 HydrophobicContact CE2-CG1 3.78Å; I44-V161 HydrophobicContact CD1-CG2 4.3Å; V46-V161 HydrophobicContact CB-CG1 4.11Å; V46-V161 HydrophobicContact CG1-CB 4.32Å; V46-V161 HydrophobicContact CG1-CG1 4.14Å; V46-V161 HydrophobicContact CG2-CB 4.06Å; V46-V161 HydrophobicContact CG2-CG1 4Å; V46-V161 HydrophobicContact CG2-CG2 4.28Å; L53-V161 HydrophobicContact CD1-CG2 3.57Å; L53-V161 HydrophobicContact CD2-CG2 4.02Å; L53-V161 HydrophobicContact CG-CG2 4Å; F157-V161 WeakPolarHBondContact O-CG2 3.22Å; A158-V161 WeakPolarHBondContact O-CB 3.48Å; A158-V161 PolarHBondContact O-N 3.1Å; A158-V161 VanDerWaalsContact O-N 3.12Å; E159-V161 PolarHBondContact O-N 2.9Å; V161-Q163 VanDerWaalsContact C-N 3.32Å; V161-Q163 PolarHBondContact O-N 2.96Å; V161-M164 HydrophobicContact CB-CE 4.49Å; V161-M164 HydrophobicContact CG2-CE 4.15Å; V161-M164 PolarHBondContact O-N 3.17Å; V161-N165 PolarHBondContact O-N 3.27Å; V161-N165 PolarHBondContact O-ND2 2.85Å
162R96.8Very high83.5Confident45 Ų4556.5 Ų56.517%0.1730%0.303CS..Hα-helixtrans-58.3-45.5174.3-60.5-167.4-164.6101.7-0.2110.9V46 D47 E155 A158 E159 M164 N165 Y166V46-R162 HydrophobicContact CG1-CG 3.82Å; D47-R162 IonicContact OD1-CZ 2.98Å; D47-R162 IonicContact OD1-NE 2.77Å; D47-R162 PolarHBondContact OD1-NE 3.11Å; D47-R162 IonicContact OD1-NH2 3.7Å; D47-R162 WeakPolarHBondContact OD2-CD 3.45Å; D47-R162 WeakPolarHBondContact OD2-CG 3.42Å; D47-R162 IonicContact OD2-NE 2.81Å; D47-R162 PolarHBondContact OD2-NE 2.83Å; E155-R162 IonicContact OE1-CZ 2.8Å; E155-R162 IonicContact OE1-NH1 3.64Å; E155-R162 PolarHBondContact OE1-NH1 3.26Å; E155-R162 IonicContact OE1-NH2 3.76Å; E155-R162 PolarHBondContact OE1-NH2 3.11Å; E155-R162 IonicContact OE2-NH2 3.52Å; A158-R162 PolarHBondContact O-N 2.65Å; A158-R162 VanDerWaalsContact O-N 3.08Å; E159-R162 WeakPolarHBondContact O-CB 3.31Å; E159-R162 PolarHBondContact O-N 2.96Å; E159-R162 VanDerWaalsContact O-N 3.07Å; E159-R162 IonicContact OE2-CZ 3.64Å; E159-R162 IonicContact OE2-NH1 3.58Å; E159-R162 PolarHBondContact OE2-NH1 2.85Å; R162-M164 VanDerWaalsContact C-N 3.31Å; R162-M164 PolarHBondContact O-N 3.33Å; R162-N165 WeakPolarHBondContact O-CB 3.09Å; R162-N165 PolarHBondContact O-N 2.82Å; R162-Y166 HydrophobicContact CB-CE2 4.41Å; R162-Y166 WeakPolarHBondContact O-CD2 2.95Å; R162-Y166 PolarHBondContact O-N 2.8Å
163Q96.3Very high81.1Confident18 Ų1859.4 Ų59.48%0.08431%0.314CS..Hα-helixtrans-59.5-39.4176.4-66.5-57.9-46.100112.9P110 P141 E159 I160 V161 N165 S167P110-Q163 HydrophobicContact CB-CB 4.08Å; P141-Q163 HydrophobicContact CG-CG 3.96Å; E159-Q163 WeakPolarHBondContact O-CG 3.27Å; E159-Q163 PolarHBondContact O-N 3.43Å; E159-Q163 PolarHBondContact OE1-NE2 2.81Å; I160-Q163 HydrophobicContact CD1-CB 4.38Å; I160-Q163 PolarHBondContact O-N 3.31Å; V161-Q163 VanDerWaalsContact C-N 3.32Å; V161-Q163 PolarHBondContact O-N 2.96Å; Q163-N165 VanDerWaalsContact C-N 3.33Å; Q163-S167 WeakPolarHBondContact O-CB 3.4Å; Q163-S167 PolarHBondContact O-N 3.32Å; Q163-S167 PolarHBondContact O-OG 2.96Å
164M94.9Very high78.5Confident7 Ų767.4 Ų67.43%0.03435%0.351CS..Hα-helixtrans-69.7-29.6175.6-73-176.2-71.700113Y4 V6 Q76 G77 P110 I160 V161 R162 A168Y4-M164 VanDerWaalsContact CB-CE 3.48Å; Y4-M164 HydrophobicContact CD1-CB 3.89Å; Y4-M164 HydrophobicContact CD1-CE 3.68Å; Y4-M164 HydrophobicContact CD1-SD 3.91Å; Y4-M164 HydrophobicContact CE1-CB 4.13Å; Y4-M164 HydrophobicContact CG-CE 3.83Å; Y4-M164 HydrophobicContact CG-SD 4.41Å; V6-M164 HydrophobicContact CG2-CE 3.63Å; V6-M164 HydrophobicContact CG2-SD 4.47Å; Q76-M164 VanDerWaalsContact C-SD 3.58Å; Q76-M164 HydrophobicContact CB-CG 4.46Å; Q76-M164 HydrophobicContact CB-SD 3.58Å; Q76-M164 VanDerWaalsContact CB-SD 3.58Å; G77-M164 PolarHBondContact N-SD 3.19Å; G77-M164 VanDerWaalsContact N-SD 3.39Å; P110-M164 HydrophobicContact CB-CB 4.33Å; P110-M164 HydrophobicContact CB-CG 3.52Å; P110-M164 HydrophobicContact CG-CB 4.37Å; P110-M164 HydrophobicContact CG-CG 3.83Å; I160-M164 HydrophobicContact CG1-CE 4.32Å; I160-M164 HydrophobicContact CG2-CE 4.48Å; I160-M164 WeakPolarHBondContact O-CE 3.05Å; I160-M164 WeakPolarHBondContact O-CG 3.4Å; I160-M164 PolarHBondContact O-N 2.69Å; V161-M164 HydrophobicContact CB-CE 4.49Å; V161-M164 HydrophobicContact CG2-CE 4.15Å; V161-M164 PolarHBondContact O-N 3.17Å; R162-M164 VanDerWaalsContact C-N 3.31Å; R162-M164 PolarHBondContact O-N 3.33Å; M164-A168 PolarHBondContact O-N 2.91Å
165N91.9Very high76.1Confident56 Ų5669 Ų6930%0.29937%0.367SS..Hα-helixtrans-71.3-42.4174.1-76.6-30.6000112.5R2 Y4 V161 R162 Q163 S167 A168R2-N165 PolarHBondContact NH1-OD1 2.88Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.46Å; Y4-N165 PolarHBondContact OH-ND2 2.81Å; Y4-N165 PolarHBondContact OH-OD1 2.8Å; V161-N165 PolarHBondContact O-N 3.27Å; V161-N165 PolarHBondContact O-ND2 2.85Å; R162-N165 WeakPolarHBondContact O-CB 3.09Å; R162-N165 PolarHBondContact O-N 2.82Å; Q163-N165 VanDerWaalsContact C-N 3.33Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 2.96Å; N165-A168 PolarHBondContact O-N 2.55Å
166Y83.3Confident73.3Confident171 Ų17170.3 Ų70.367%0.67138%0.384SS*.Hα-helixtrans-66.4-31.4176.3-76.8-67.4000113.7R162R162-Y166 HydrophobicContact CB-CE2 4.41Å; R162-Y166 WeakPolarHBondContact O-CD2 2.95Å; R162-Y166 PolarHBondContact O-N 2.8Å
167S70.7Confident71.1Confident30 Ų3075.3 Ų75.321%0.2142%0.419CS..THydrogen-bonded Turntrans-91.7-4.2-176.7-49.30000113.4Q163 N165 P169Q163-S167 WeakPolarHBondContact O-CB 3.4Å; Q163-S167 PolarHBondContact O-N 3.32Å; Q163-S167 PolarHBondContact O-OG 2.96Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 2.96Å; S167-P169 WeakPolarHBondContact O-CD 2.98Å
168A61.4Low68.7Low36 Ų3680 Ų8030%0.29845%0.453SS..SBendtrans-67.5119.4171.700000107.8M164 N165 G170M164-A168 PolarHBondContact O-N 2.91Å; N165-A168 PolarHBondContact O-N 2.55Å; A168-G170 PolarHBondContact O-N 3.12Å; A168-G170 VanDerWaalsContact O-N 3.15Å
169P49Very low66.1Low119 Ų11985.8 Ų85.877%0.77349%0.491SS*.PPolyproline II helixtrans-54.6129.4168.822.5-29.9000106.6S167 R171S167-P169 WeakPolarHBondContact O-CD 2.98Å; P169-R171 PolarHBondContact O-N 2.77Å
170G46Very low63.7Low71 Ų7190.6 Ų90.673%0.73252%0.522SS*.PPolyproline II helixtrans-46120.217700000108.3A168 N172A168-G170 PolarHBondContact O-N 3.12Å; A168-G170 VanDerWaalsContact O-N 3.15Å; G170-N172 PolarHBondContact O-N 2.88Å
171R45.9Very low61.3Low216 Ų21698.6 Ų98.682%0.81556%0.563SS**  trans-6385.1165.3-84.4-177.9173.8175-3.9106.6P169 D173P169-R171 PolarHBondContact O-N 2.77Å; R171-D173 PolarHBondContact O-N 2.82Å
172N40Very low58.9Low151 Ų151109.6 Ų109.681%0.80762%0.621SS**  trans-7175.3147.1-85.9-8.6000105.9G170 Q174G170-N172 PolarHBondContact O-N 2.88Å; N172-Q174 PolarHBondContact O-N 2.87Å
173D45.4Very low57Low124 Ų124112.9 Ų112.966%0.66364%0.643SS**  trans-67.176154.7-76.7-32.7000106.1R171 C175R171-D173 PolarHBondContact O-N 2.82Å; D173-C175 PolarHBondContact O-N 2.88Å
174Q44.1Very low54.9Low167 Ų167117.8 Ų117.878%0.7867%0.673SS**  trans-73.481.8159.6-140.2157.924.800105.2N172 C176N172-Q174 PolarHBondContact O-N 2.87Å; Q174-C176 PolarHBondContact O-N 2.88Å
175C44.5Very low52.7Low103 Ų103124 Ų12470%0.69671%0.708SS**  trans-57.398.3159.8-167.60000105.7D173 S177D173-C175 PolarHBondContact O-N 2.88Å; C175-S177 PolarHBondContact O-N 2.99Å
176C41.2Very low50.4Low114 Ų114128 Ų12877%0.7773%0.732SS**  trans-65.578.7166.9-77.60000108.2Q174 S178Q174-C176 PolarHBondContact O-N 2.88Å; C176-S178 PolarHBondContact O-N 3.03Å; C176-S178 VanDerWaalsContact O-N 3.12Å
177S51.1Low48.4Very low106 Ų106125.3 Ų125.374%0.74174%0.736SS**  trans-78.378.1160.8-81.40000108.6C175C175-S177 PolarHBondContact O-N 2.99Å
178S47.8Very low46.9Very low102 Ų102131.7 Ų131.771%0.71377%0.771SS**  trans-171.270.9156.851.60000110.5C176C176-S178 PolarHBondContact O-N 3.03Å; C176-S178 VanDerWaalsContact O-N 3.12Å
179C44.5Very low45.8Very low133 Ų133138.5 Ų138.590%0.89981%0.805SS**  trans-106.382.9149.1-85.50000107.6
180V47.9Very low45.6Very low133 Ų133140 Ų14081%0.80681%0.808SS**  trans-120.4102.1152.4-173.20000104.9
181I46.5Very low45.5Very low169 Ų169145.8 Ų145.887%0.86781%0.814SS**  trans-118.2117.5158.8-65.7176.8000105
182L47.5Very low45.5Very low231 Ų231139.4 Ų139.4100%1.20981%0.814SS**  trans-56.60169.4-76.1154.4000111.6

Retrieved 182 of 182 residues in 208.1 ms (Link to these results)

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