A0A087XRR4_POEFO Loading...

small monomeric GTPase

AlphaFold DB (W5M7C9), UniProt , Accession A0A087XRR4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M79.6Confident94.5Very high119 Ų11941.1 Ų41.159%0.58619%0.187SC*.  0124.40-143.8173.3-159.700106.6E43 P50 V52M1-E43 HydrophobicContact CE-CB 3.95Å; M1-E43 HydrophobicContact CE-CG 3.88Å; M1-E43 HydrophobicContact SD-CG 4.16Å; M1-P50 HydrophobicContact CE-CB 3.65Å; M1-P50 VanDerWaalsContact CG-C 3.46Å; M1-P50 HydrophobicContact CG-CB 4.06Å; M1-P50 WeakPolarHBondContact CG-O 3.36Å; M1-V52 HydrophobicContact CB-CG2 4.24Å; M1-V52 HydrophobicContact CG-CG2 3.85Å; M1-V52 HydrophobicContact SD-CG2 3.42Å; M1-V52 WeakPolarHBondContact SD-CG2 3.46Å
2R92.3Very high94.3Very high111 Ų11140.4 Ų40.442%0.41920%0.2SC..EExtended strand (participates in β ladder)trans-80.3138.3178.6-175.9164.7167.9-173.96108.7Y4 S51 V52 D165R2-Y4 HydrophobicContact CB-CE2 3.78Å; R2-Y4 WeakPolarHBondContact CD-OH 3.27Å; R2-Y4 HydrophobicContact CG-CD2 4.35Å; R2-Y4 HydrophobicContact CG-CE1 4.22Å; R2-Y4 HydrophobicContact CG-CE2 3.66Å; R2-S51 WeakPolarHBondContact O-CA 3.25Å; R2-V52 PolarHBondContact O-N 3.2Å; R2-D165 IonicContact CZ-OD1 3.58Å; R2-D165 IonicContact NE-OD1 3.22Å; R2-D165 IonicContact NH1-OD1 3.63Å; R2-D165 PolarHBondContact NH1-OD1 2.89Å; R2-D165 IonicContact NH2-OD1 3.92Å
3E95.5Very high94.1Very high96 Ų9639.8 Ų39.845%0.44921%0.211SC..EExtended strand (participates in β ladder)trans-102137.1178.1-53.8-167.4141.900109.8R41 V52E3-R41 IonicContact OE1-NH2 3.65Å; E3-R41 PolarHBondContact OE1-NH2 3.1Å; E3-R41 VanDerWaalsContact OE1-NH2 3.07Å; E3-V52 CarbonylContact C-O 3.57Å; E3-V52 WeakPolarHBondContact CA-O 3.41Å; E3-V52 HydrophobicContact CB-CB 4.47Å; E3-V52 HydrophobicContact CG-CB 4.09Å; E3-V52 HydrophobicContact CG-CG2 4.39Å
4Y97.4Very high94.2Very high7 Ų737 Ų373%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-129.1132.3-178.8-58.4-96.8000110.9R2 V52 L53 E54 V161 M164 D165R2-Y4 HydrophobicContact CB-CE2 3.78Å; R2-Y4 WeakPolarHBondContact CD-OH 3.27Å; R2-Y4 HydrophobicContact CG-CD2 4.35Å; R2-Y4 HydrophobicContact CG-CE1 4.22Å; R2-Y4 HydrophobicContact CG-CE2 3.66Å; Y4-V52 PolarHBondContact N-O 3.16Å; Y4-L53 HydrophobicContact CD2-CD1 4.34Å; Y4-L53 HydrophobicContact CG-CD1 4.41Å; Y4-E54 PolarHBondContact O-N 2.92Å; Y4-V161 HydrophobicContact CD1-CG1 4.46Å; Y4-V161 HydrophobicContact CD2-CG1 4.27Å; Y4-V161 HydrophobicContact CD2-CG2 4.4Å; Y4-V161 HydrophobicContact CE1-CG1 4.01Å; Y4-V161 HydrophobicContact CE2-CG1 3.83Å; Y4-V161 HydrophobicContact CG-CG2 4.45Å; Y4-M164 VanDerWaalsContact CB-CE 3.5Å; Y4-M164 HydrophobicContact CD1-CB 3.83Å; Y4-M164 HydrophobicContact CD1-CE 3.61Å; Y4-M164 HydrophobicContact CD1-CG 4.5Å; Y4-M164 HydrophobicContact CD1-SD 3.9Å; Y4-M164 HydrophobicContact CE1-CB 4.06Å; Y4-M164 HydrophobicContact CG-CE 3.86Å; Y4-M164 HydrophobicContact CG-SD 4.46Å; Y4-D165 WeakPolarHBondContact CE1-OD1 3.18Å; Y4-D165 PolarHBondContact OH-OD1 3.02Å; Y4-D165 PolarHBondContact OH-OD2 3.49Å
5K97.3Very high94.3Very high94 Ų9435.7 Ų35.741%0.40919%0.194SC..EExtended strand (participates in β ladder)trans-101.7109178.8-63.3-178-179.9-1740110.1E54 Q76 G77K5-E54 CarbonylContact C-O 3.54Å; K5-E54 WeakPolarHBondContact CA-O 3.36Å; K5-E54 WeakPolarHBondContact CE-OE2 3.26Å; K5-E54 HydrophobicContact CG-CB 4.35Å; K5-Q76 HydrophobicContact CB-CG 4.34Å; K5-Q76 WeakPolarHBondContact O-CA 3.38Å; K5-Q76 PolarHBondContact O-N 3.44Å; K5-G77 PolarHBondContact O-N 3.02Å; K5-G77 VanDerWaalsContact O-N 3.14Å
6V97.8Very high94.4Very high2 Ų234 Ų341%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-107.1136179.5-179.70000109.3L53 E54 I55 L56 G77 I79 I160 M164V6-L53 HydrophobicContact CG2-CD1 4.48Å; V6-L53 HydrophobicContact CG2-CD2 4.23Å; V6-L53 HydrophobicContact CG2-CG 4.11Å; V6-E54 PolarHBondContact N-O 3.15Å; V6-I55 WeakPolarHBondContact O-CA 3.31Å; V6-L56 PolarHBondContact O-N 3.19Å; V6-G77 WeakPolarHBondContact CA-O 3.48Å; V6-I79 HydrophobicContact CG1-CD1 3.64Å; V6-I79 HydrophobicContact CG1-CG1 3.91Å; V6-I160 HydrophobicContact CG1-CG1 4.25Å; V6-I160 HydrophobicContact CG1-CG2 4.23Å; V6-I160 HydrophobicContact CG2-CG1 4.25Å; V6-I160 HydrophobicContact CG2-CG2 3.8Å; V6-M164 HydrophobicContact CG2-CE 3.57Å; V6-M164 HydrophobicContact CG2-SD 4.37Å
7V97.5Very high94.5Very high4 Ų433.9 Ų33.92%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-115.2127.7174.5-171.40000109L9 L56 T58 G77 F78 I79V7-L9 HydrophobicContact CG1-CD1 4.38Å; V7-L9 HydrophobicContact CG1-CD2 3.96Å; V7-L9 HydrophobicContact CG1-CG 3.93Å; V7-L56 HydrophobicContact CG1-CD2 4.31Å; V7-L56 HydrophobicContact CG1-CG 4.39Å; V7-L56 HydrophobicContact CG2-CB 4.39Å; V7-L56 HydrophobicContact CG2-CD2 4.38Å; V7-T58 HydrophobicContact CG1-CG2 3.82Å; V7-G77 PolarHBondContact N-O 3.05Å; V7-F78 HydrophobicContact CB-CD1 3.92Å; V7-F78 HydrophobicContact CB-CE1 3.97Å; V7-F78 HydrophobicContact CG2-CD1 4.45Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 WeakPolarHBondContact O-CA 3.31Å; V7-I79 PolarHBondContact O-N 3.24Å
8V97.5Very high94.5Very high1 Ų133.4 Ų33.41%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-98.7119.1177.3-167.20000108.7K16 I55 L56 T58 I79 V81V8-K16 HydrophobicContact CB-CB 4.48Å; V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.17Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; V8-I55 HydrophobicContact CG2-CG2 3.78Å; V8-L56 PolarHBondContact N-O 3.34Å; V8-T58 PolarHBondContact O-OG1 2.98Å; V8-I79 HydrophobicContact CG1-CB 4.42Å; V8-I79 HydrophobicContact CG1-CG2 4.39Å; V8-I79 HydrophobicContact CG2-CD1 4.47Å; V8-V81 HydrophobicContact CG1-CG2 3.67Å
9L95.7Very high94.7Very high4 Ų431.7 Ų31.72%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-126156-174.9-64.3169.9000110.6V7 K16 T58 I72 F78 I79 L80 V81 I100V7-L9 HydrophobicContact CG1-CD1 4.38Å; V7-L9 HydrophobicContact CG1-CD2 3.96Å; V7-L9 HydrophobicContact CG1-CG 3.93Å; L9-K16 VanDerWaalsContact C-CD 3.49Å; L9-T58 HydrophobicContact CD2-CG2 4.05Å; L9-I72 HydrophobicContact CD1-CG1 4.33Å; L9-F78 HydrophobicContact CD1-CD1 3.93Å; L9-I79 PolarHBondContact N-O 2.74Å; L9-L80 HydrophobicContact CB-CD2 3.94Å; L9-L80 HydrophobicContact CD1-CD2 4.48Å; L9-V81 PolarHBondContact O-N 3.12Å; L9-I100 HydrophobicContact CD1-CD1 3.84Å; L9-I100 HydrophobicContact CD1-CG1 4.15Å
10G95.3Very high94.8Very high2 Ų230.2 Ų30.22%0.02117%0.17CC..  trans146.9164.3-175.300000112K16 G60 V81 M96G10-K16 WeakPolarHBondContact O-CE 3.38Å; G10-K16 PolarHBondContact O-NZ 2.94Å; G10-G60 VanDerWaalsContact O-CA 3.26Å; G10-G60 WeakPolarHBondContact O-CA 3.41Å; G10-V81 VanDerWaalsContact CA-O 3.31Å; G10-V81 WeakPolarHBondContact CA-O 3.48Å; G10-M96 VanDerWaalsContact CA-SD 3.59Å
11S93.6Very high94.8Very high12 Ų1229.8 Ų29.88%0.08417%0.168CC..SBendtrans-60.7167.1-176.5-54.90000113V14 K16 D92S11-V14 WeakPolarHBondContact O-CG1 3.25Å; S11-V14 WeakPolarHBondContact O-CG2 3.41Å; S11-K16 PolarHBondContact O-NZ 3.03Å; S11-D92 WeakPolarHBondContact OG-CB 3.47Å; S11-D92 PolarHBondContact OG-OD2 2.8Å
12G91.8Very high95.7Very high33 Ų3324.6 Ų24.634%0.3414%0.143SC..THydrogen-bonded Turntrans-58142.3173.900000112V14 G60G12-V14 PolarHBondContact O-N 2.93Å; G12-V14 VanDerWaalsContact O-N 3.16Å; G12-G60 PolarHBondContact N-O 2.98Å; G12-G60 VanDerWaalsContact N-O 3.14Å
13G92.1Very high95.9Very high33 Ų3319.7 Ų19.734%0.3412%0.124SC..THydrogen-bonded Turntrans71.44.1173.700000117G15 K117G13-G15 VanDerWaalsContact C-N 3.26Å; G13-G15 PolarHBondContact O-N 3.21Å; G13-K117 WeakPolarHBondContact O-CE 3.47Å; G13-K117 PolarHBondContact O-NZ 3.01Å
14V95.9Very high95.9Very high0 Ų017 Ų170%012%0.115CC..SBendtrans-73-16.9177.7-57.60000113.6S11 G12 K16 V81 N116S11-V14 WeakPolarHBondContact O-CG1 3.25Å; S11-V14 WeakPolarHBondContact O-CG2 3.41Å; G12-V14 PolarHBondContact O-N 2.93Å; G12-V14 VanDerWaalsContact O-N 3.16Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.66Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.07Å; V14-V81 HydrophobicContact CG2-CG1 3.93Å; V14-V81 WeakPolarHBondContact CG2-O 3.42Å; V14-N116 PolarHBondContact O-ND2 3.4Å
15G95.6Very high95.8Very high17 Ų1720.4 Ų20.418%0.17514%0.136CC..SBendtrans100.727.2175.800000115.7G13 A18 L19G13-G15 VanDerWaalsContact C-N 3.26Å; G13-G15 PolarHBondContact O-N 3.21Å; G15-A18 PolarHBondContact O-N 3.46Å; G15-L19 WeakPolarHBondContact O-CG 3.4Å; G15-L19 PolarHBondContact O-N 3.46Å
16K96.1Very high95.6Very high9 Ų918.1 Ų18.14%0.03914%0.139CC..Hα-helixtrans-54.3-56.8174.2-57-173.4-61.7-72.30112V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 G60 V81V8-K16 HydrophobicContact CB-CB 4.48Å; V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.17Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; L9-K16 VanDerWaalsContact C-CD 3.49Å; G10-K16 WeakPolarHBondContact O-CE 3.38Å; G10-K16 PolarHBondContact O-NZ 2.94Å; S11-K16 PolarHBondContact O-NZ 3.03Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.66Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.65Å; K16-L19 PolarHBondContact O-N 3.47Å; K16-L19 VanDerWaalsContact O-N 3.16Å; K16-T20 PolarHBondContact O-N 2.71Å; K16-T20 PolarHBondContact O-OG1 3.25Å; K16-D57 VanDerWaalsContact CB-OD1 3.26Å; K16-D57 WeakPolarHBondContact CB-OD1 3.48Å; K16-T58 WeakPolarHBondContact CE-O 3.32Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å; K16-V81 HydrophobicContact CG-CB 4.21Å; K16-V81 HydrophobicContact CG-CG2 4.33Å
17S95.1Very high95.2Very high32 Ų3221.5 Ų21.522%0.22416%0.16CC..Hα-helixtrans-60.3-39.4176.7-36.30000112L19 T20 V21 T35 D57S17-L19 PolarHBondContact O-N 3.08Å; S17-T20 PolarHBondContact O-N 2.84Å; S17-V21 VanDerWaalsContact O-CB 3.29Å; S17-V21 WeakPolarHBondContact O-CB 3.28Å; S17-V21 VanDerWaalsContact O-CG2 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.33Å; S17-V21 PolarHBondContact O-N 2.74Å; S17-T35 PolarHBondContact OG-OG1 2.85Å; S17-D57 WeakPolarHBondContact CA-OD2 3.32Å; S17-D57 WeakPolarHBondContact CB-OD2 3.12Å; S17-D57 PolarHBondContact N-OD1 3.3Å; S17-D57 PolarHBondContact OG-OD2 3.01Å
18A95.8Very high94.7Very high26 Ų2624.9 Ų24.922%0.21517%0.174CC..Hα-helixtrans-63.8-41.4177.500000112.1G15 K16 Q22 F28 A147G15-A18 PolarHBondContact O-N 3.46Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.65Å; A18-Q22 WeakPolarHBondContact O-CB 3.5Å; A18-Q22 PolarHBondContact O-N 3.13Å; A18-F28 HydrophobicContact CB-CD2 4.46Å; A18-F28 HydrophobicContact CB-CE2 4.05Å; A18-A147 HydrophobicContact CB-CB 3.64Å
19L97.9Very high94Very high1 Ų129.9 Ų29.91%0.00520%0.2CC..Hα-helixtrans-65.4-47.1174.4-73.3169.8000111.3G15 K16 S17 Q22 F23 V81 V114 N116 A147 V153 L156G15-L19 WeakPolarHBondContact O-CG 3.4Å; G15-L19 PolarHBondContact O-N 3.46Å; K16-L19 PolarHBondContact O-N 3.47Å; K16-L19 VanDerWaalsContact O-N 3.16Å; S17-L19 PolarHBondContact O-N 3.08Å; L19-Q22 PolarHBondContact O-N 3.35Å; L19-F23 WeakPolarHBondContact O-CB 3.49Å; L19-F23 PolarHBondContact O-N 3.32Å; L19-V81 HydrophobicContact CD1-CG1 3.95Å; L19-V81 HydrophobicContact CD1-CG2 4.13Å; L19-V114 HydrophobicContact CD1-CG1 4.38Å; L19-N116 HydrophobicContact CD1-CB 4.31Å; L19-A147 HydrophobicContact CD2-CB 3.95Å; L19-A147 HydrophobicContact CG-CB 4.2Å; L19-V153 HydrophobicContact CD2-CG2 3.83Å; L19-L156 HydrophobicContact CD1-CD2 4.31Å
20T96.8Very high93.1Very high0 Ų037.3 Ų37.30%023%0.234CC..Hα-helixtrans-62.9-48.3-179.4-57.90000111.7K16 S17 F23 V24 Y40 I55K16-T20 PolarHBondContact O-N 2.71Å; K16-T20 PolarHBondContact O-OG1 3.25Å; S17-T20 PolarHBondContact O-N 2.84Å; T20-F23 PolarHBondContact O-N 3.27Å; T20-V24 HydrophobicContact CG2-CG2 4.4Å; T20-V24 WeakPolarHBondContact O-CB 3.49Å; T20-V24 WeakPolarHBondContact O-CG2 3.34Å; T20-V24 PolarHBondContact O-N 3.3Å; T20-Y40 HydrophobicContact CG2-CD2 3.3Å; T20-Y40 HydrophobicContact CG2-CE2 3.67Å; T20-Y40 HydrophobicContact CG2-CG 3.78Å; T20-I55 HydrophobicContact CG2-CB 4.24Å; T20-I55 HydrophobicContact CG2-CD1 4.32Å; T20-I55 HydrophobicContact CG2-CG2 3.7Å
21V95.3Very high92.2Very high23 Ų2346.1 Ų46.114%0.13927%0.272CS..Hα-helixtrans-63.8-48177.2172.90000110.2S17 F23 V24 T25 I29 Y40S17-V21 VanDerWaalsContact O-CB 3.29Å; S17-V21 WeakPolarHBondContact O-CB 3.28Å; S17-V21 VanDerWaalsContact O-CG2 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.33Å; S17-V21 PolarHBondContact O-N 2.74Å; V21-F23 PolarHBondContact O-N 3.42Å; V21-V24 PolarHBondContact O-N 2.93Å; V21-T25 HydrophobicContact CG1-CG2 4.29Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.46Å; V21-T25 PolarHBondContact O-N 3.14Å; V21-T25 PolarHBondContact O-OG1 3.26Å; V21-I29 HydrophobicContact CG1-CD1 4.29Å; V21-Y40 HydrophobicContact CG2-CE1 4.35Å
22Q96.8Very high90.9Very high10 Ų1053 Ų535%0.04730%0.297CS..Hα-helixtrans-58.1-38.3178.2-179.970.5-5000112A18 L19 G26 T27 A147 K150 V153A18-Q22 WeakPolarHBondContact O-CB 3.5Å; A18-Q22 PolarHBondContact O-N 3.13Å; L19-Q22 PolarHBondContact O-N 3.35Å; Q22-G26 WeakPolarHBondContact O-CA 3.34Å; Q22-G26 PolarHBondContact O-N 2.78Å; Q22-G26 PolarHBondContact OE1-O 3.17Å; Q22-T27 WeakPolarHBondContact CA-O 3.5Å; Q22-T27 VanDerWaalsContact OE1-CA 3.3Å; Q22-T27 PolarHBondContact OE1-O 3Å; Q22-A147 WeakPolarHBondContact CG-O 3.17Å; Q22-A147 PolarHBondContact NE2-O 3.43Å; Q22-K150 HydrophobicContact CG-CB 4.34Å; Q22-K150 HydrophobicContact CG-CG 3.9Å; Q22-V153 HydrophobicContact CB-CG1 4.44Å; Q22-V153 HydrophobicContact CG-CG1 4.23Å; Q22-V153 HydrophobicContact CG-CG2 4.32Å
23F97.7Very high90.1Very high7 Ų757.9 Ų57.93%0.03132%0.316CS..Hα-helixtrans-66.4-48.9173.6176.8-115.3000111.9L19 T20 V21 K42 I44 L53 I55 V153 D154 F157L19-F23 WeakPolarHBondContact O-CB 3.49Å; L19-F23 PolarHBondContact O-N 3.32Å; T20-F23 PolarHBondContact O-N 3.27Å; V21-F23 PolarHBondContact O-N 3.42Å; F23-K42 HydrophobicContact CD1-CD 3.87Å; F23-K42 HydrophobicContact CE1-CB 4.3Å; F23-K42 HydrophobicContact CE1-CD 3.5Å; F23-K42 VanDerWaalsContact CE1-CD 3.5Å; F23-K42 HydrophobicContact CE1-CG 4.48Å; F23-K42 HydrophobicContact CE2-CD 4.27Å; F23-K42 HydrophobicContact CG-CD 4.43Å; F23-K42 HydrophobicContact CZ-CD 3.75Å; F23-K42 PolarHBondContact O-NZ 2.81Å; F23-I44 HydrophobicContact CE1-CG2 4.4Å; F23-I44 HydrophobicContact CE2-CG2 4.36Å; F23-I44 HydrophobicContact CZ-CD1 4.37Å; F23-I44 HydrophobicContact CZ-CG2 3.64Å; F23-L53 HydrophobicContact CE1-CD2 4.18Å; F23-L53 HydrophobicContact CZ-CD2 4.43Å; F23-I55 HydrophobicContact CD1-CD1 3.64Å; F23-I55 HydrophobicContact CE1-CD1 3.77Å; F23-V153 HydrophobicContact CB-CG1 3.85Å; F23-D154 WeakPolarHBondContact CD2-OD1 3.36Å; F23-F157 HydrophobicContact CB-CD2 3.57Å; F23-F157 HydrophobicContact CB-CE2 3.43Å; F23-F157 VanDerWaalsContact CB-CE2 3.43Å; F23-F157 HydrophobicContact CB-CG 4.47Å; F23-F157 HydrophobicContact CB-CZ 4.22Å; F23-F157 HydrophobicContact CD1-CB 4.18Å; F23-F157 HydrophobicContact CD1-CD1 4.08Å; F23-F157 AromaticContact CD1-CD2 3.67Å; F23-F157 HydrophobicContact CD1-CD2 3.67Å; F23-F157 HydrophobicContact CD1-CE1 4.38Å; F23-F157 HydrophobicContact CD1-CE2 4.02Å; F23-F157 AromaticContact CD1-CG 3.71Å; F23-F157 HydrophobicContact CD1-CG 3.71Å; F23-F157 HydrophobicContact CD1-CZ 4.35Å; F23-F157 HydrophobicContact CD2-CB 3.97Å; F23-F157 AromaticContact CD2-CD2 3.52Å; F23-F157 HydrophobicContact CD2-CD2 3.52Å; F23-F157 HydrophobicContact CD2-CE2 4.29Å; F23-F157 AromaticContact CD2-CG 3.96Å; F23-F157 HydrophobicContact CD2-CG 3.96Å; F23-F157 HydrophobicContact CE1-CB 3.74Å; F23-F157 HydrophobicContact CE1-CD1 4.09Å; F23-F157 HydrophobicContact CE1-CD2 4.14Å; F23-F157 AromaticContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 HydrophobicContact CE2-CD2 4.01Å; F23-F157 AromaticContact CE2-CG 3.99Å; F23-F157 HydrophobicContact CE2-CG 3.99Å; F23-F157 HydrophobicContact CG-CB 4.26Å; F23-F157 AromaticContact CG-CD2 3.3Å; F23-F157 HydrophobicContact CG-CD2 3.3Å; F23-F157 AromaticContact CG-CE2 3.68Å; F23-F157 HydrophobicContact CG-CE2 3.68Å; F23-F157 AromaticContact CG-CG 3.79Å; F23-F157 HydrophobicContact CG-CG 3.79Å; F23-F157 HydrophobicContact CG-CZ 4.43Å; F23-F157 HydrophobicContact CZ-CB 3.34Å; F23-F157 HydrophobicContact CZ-CD2 4.26Å; F23-F157 AromaticContact CZ-CG 3.84Å; F23-F157 HydrophobicContact CZ-CG 3.84Å
24V96.1Very high89.4Confident41 Ų4160.4 Ų60.425%0.24833%0.326CS..Hα-helixtrans-72.5-44.6-173.1174.40000112.5T20 V21 Y40 I55T20-V24 HydrophobicContact CG2-CG2 4.4Å; T20-V24 WeakPolarHBondContact O-CB 3.49Å; T20-V24 WeakPolarHBondContact O-CG2 3.34Å; T20-V24 PolarHBondContact O-N 3.3Å; V21-V24 PolarHBondContact O-N 2.93Å; V24-Y40 HydrophobicContact CB-CD1 4.46Å; V24-Y40 HydrophobicContact CG1-CD1 4.25Å; V24-Y40 HydrophobicContact CG2-CD1 4.22Å; V24-Y40 HydrophobicContact CG2-CG 4.21Å; V24-I55 HydrophobicContact CG2-CD1 4.28Å
25T93.4Very high88.5Confident78 Ų7861.5 Ų61.548%0.47933%0.333SS..Hα-helixtrans-105.3-16.4-171.466.70000113.5V21 T27V21-T25 HydrophobicContact CG1-CG2 4.29Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.46Å; V21-T25 PolarHBondContact O-N 3.14Å; V21-T25 PolarHBondContact O-OG1 3.26Å; T25-T27 PolarHBondContact O-N 3.01Å; T25-T27 PolarHBondContact OG1-N 3.27Å; T25-T27 PolarHBondContact OG1-OG1 2.82Å
26G92.9Very high87.6Confident45 Ų4565.7 Ų65.746%0.46435%0.35SS..SBendtrans69.515.7-171.600000113.6Q22Q22-G26 WeakPolarHBondContact O-CA 3.34Å; Q22-G26 PolarHBondContact O-N 2.78Å; Q22-G26 PolarHBondContact OE1-O 3.17Å
27T89.6Confident86.8Confident73 Ų7368.9 Ų68.945%0.44837%0.365SS..  trans-120.4140.9179600000112.3Q22 T25Q22-T27 WeakPolarHBondContact CA-O 3.5Å; Q22-T27 VanDerWaalsContact OE1-CA 3.3Å; Q22-T27 PolarHBondContact OE1-O 3Å; T25-T27 PolarHBondContact O-N 3.01Å; T25-T27 PolarHBondContact OG1-N 3.27Å; T25-T27 PolarHBondContact OG1-OG1 2.82Å
28F88Confident86.6Confident76 Ų7670.6 Ų70.633%0.33337%0.372SS..  trans-99.9125.4170.4-179.3-105.2000109.7A18 E30 A147 K148A18-F28 HydrophobicContact CB-CD2 4.46Å; A18-F28 HydrophobicContact CB-CE2 4.05Å; F28-E30 HydrophobicContact CD1-CG 4.1Å; F28-E30 HydrophobicContact CE1-CG 3.63Å; F28-A147 HydrophobicContact CD2-CB 4.1Å; F28-A147 HydrophobicContact CE2-CB 4.08Å; F28-K148 HydrophobicContact CD1-CB 4.4Å; F28-K148 HydrophobicContact CD1-CG 4.08Å; F28-K148 HydrophobicContact CD2-CB 4.39Å; F28-K148 HydrophobicContact CE1-CB 4.15Å; F28-K148 HydrophobicContact CE1-CG 3.88Å; F28-K148 HydrophobicContact CE2-CB 4.16Å; F28-K148 HydrophobicContact CZ-CB 4.04Å; F28-K148 HydrophobicContact CZ-CG 4.25Å
29I82.8Confident86.4Confident106 Ų10676.1 Ų76.154%0.54439%0.391SS..  trans-107.5116.4177.7-58.4175.4000107.9V21 K31V21-I29 HydrophobicContact CG1-CD1 4.29Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 HydrophobicContact CG2-CB 4.25Å; I29-K31 PolarHBondContact O-N 2.89Å
30E76.5Confident86.3Confident160 Ų16078.8 Ų78.875%0.74840%0.401SS*.  trans-70.7-24.9-179.1-79-177172.700113.7F28 Y32F28-E30 HydrophobicContact CD1-CG 4.1Å; F28-E30 HydrophobicContact CE1-CG 3.63Å; E30-Y32 PolarHBondContact O-N 3.2Å
31K76.8Confident86.3Confident187 Ų18785.3 Ų85.381%0.81343%0.426SS*.SBendtrans-72.5122.2-179.4-70.6-175.1-179.9-178.40110.1I29I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 HydrophobicContact CG2-CB 4.25Å; I29-K31 PolarHBondContact O-N 2.89Å
32Y66.7Low86.4Confident156 Ų15686.8 Ų86.861%0.61243%0.431SS*.  trans-83.8113.7172.7-176.7-107.1000110.1E30 P34E30-Y32 PolarHBondContact O-N 3.2Å; Y32-P34 HydrophobicContact CD1-CG 4.3Å; Y32-P34 HydrophobicContact CE1-CB 4.27Å; Y32-P34 HydrophobicContact CE1-CG 3.78Å
33D74Confident86.4Confident136 Ų13692.4 Ų92.473%0.72746%0.457SS*.  trans-110119.8164.2-164.42.8000107.7T35D33-T35 PolarHBondContact O-N 3.05Å; D33-T35 VanDerWaalsContact O-N 3.16Å
34P77.5Confident86.4Confident85 Ų8593.3 Ų93.355%0.55246%0.462SS*.  trans-59.7117.2-179.1-21.630.9000112.5Y32Y32-P34 HydrophobicContact CD1-CG 4.3Å; Y32-P34 HydrophobicContact CE1-CB 4.27Å; Y32-P34 HydrophobicContact CE1-CG 3.78Å
35T77.3Confident86.4Confident24 Ų2498.1 Ų98.115%0.14748%0.482CS..  trans-70142.3175.8-55.90000112.3S17 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 2.85Å; D33-T35 PolarHBondContact O-N 3.05Å; D33-T35 VanDerWaalsContact O-N 3.16Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.48Å; T35-A59 WeakPolarHBondContact O-CA 3.35Å; T35-A59 WeakPolarHBondContact O-CB 3.37Å
36I76.5Confident86.4Confident104 Ų10494.7 Ų94.753%0.53346%0.461SS..SBendtrans-96.6-68.2165.3-61.3175.9000108.5A59 F64I36-A59 VanDerWaalsContact O-CB 3.3Å; I36-A59 WeakPolarHBondContact O-CB 3.3Å; I36-A59 PolarHBondContact O-N 3.07Å; I36-F64 HydrophobicContact CG1-CZ 4.4Å; I36-F64 HydrophobicContact CG2-CE1 4.04Å; I36-F64 HydrophobicContact CG2-CE2 4.49Å; I36-F64 HydrophobicContact CG2-CZ 3.99Å
37E80.4Confident86.4Confident76 Ų7697.3 Ų97.336%0.35546%0.464SS..EExtended strand (participates in β ladder)trans-154.5138.7166.463-180175.200108.3L56 D57 Y71E37-L56 HydrophobicContact CB-CD1 4.24Å; E37-D57 WeakPolarHBondContact CA-O 3.19Å; E37-Y71 VanDerWaalsContact OE2-CE1 3.24Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.44Å; E37-Y71 PolarHBondContact OE2-OH 3.12Å
38D90.1Very high86.6Confident68 Ų6898.5 Ų98.536%0.36448%0.475SS..EExtended strand (participates in β ladder)trans-135136.8174.7-75.6-57.3000110.2T35 Y40 D57T35-D38 WeakPolarHBondContact CG2-OD2 3.48Å; D38-Y40 HydrophobicContact CB-CD2 4.33Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-D57 HydrophobicContact CB-CB 4.42Å; D38-D57 PolarHBondContact N-O 3.14Å; D38-D57 PolarHBondContact O-N 3.04Å
39F92.3Very high86.8Confident143 Ų14398 Ų9863%0.62748%0.482SS*.EExtended strand (participates in β ladder)trans-106.4125.3178.3-69.6-87.9000110.3L56F39-L56 HydrophobicContact CD1-CB 4.43Å; F39-L56 HydrophobicContact CD1-CD1 3.99Å; F39-L56 HydrophobicContact CD2-CD1 4.38Å; F39-L56 HydrophobicContact CE1-CB 4.24Å; F39-L56 HydrophobicContact CE1-CD1 3.6Å; F39-L56 HydrophobicContact CE1-CD2 4.22Å; F39-L56 HydrophobicContact CE1-CG 4.23Å; F39-L56 HydrophobicContact CE2-CD1 4.01Å; F39-L56 HydrophobicContact CG-CD1 4.37Å; F39-L56 HydrophobicContact CZ-CD1 3.61Å; F39-L56 HydrophobicContact CZ-CD2 4.39Å
40Y95.6Very high87.4Confident56 Ų5696.7 Ų96.722%0.2248%0.479CS..EExtended strand (participates in β ladder)trans-120147.6174.9-58.1-92.1000110.2T20 V21 V24 D38 E54 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.3Å; T20-Y40 HydrophobicContact CG2-CE2 3.67Å; T20-Y40 HydrophobicContact CG2-CG 3.78Å; V21-Y40 HydrophobicContact CG2-CE1 4.35Å; V24-Y40 HydrophobicContact CB-CD1 4.46Å; V24-Y40 HydrophobicContact CG1-CD1 4.25Å; V24-Y40 HydrophobicContact CG2-CD1 4.22Å; V24-Y40 HydrophobicContact CG2-CG 4.21Å; D38-Y40 HydrophobicContact CB-CD2 4.33Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; Y40-E54 CarbonylContact O-C 3.6Å; Y40-E54 WeakPolarHBondContact O-CA 3.47Å; Y40-I55 PolarHBondContact N-O 3.4Å; Y40-I55 PolarHBondContact O-N 3.31Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å
41R96.8Very high88.3Confident137 Ų13789.2 Ų89.252%0.51745%0.445SS..EExtended strand (participates in β ladder)trans-130.3129174.7-168.6173.1-176.2-102.62.7109.1E3 V52 L53 E54E3-R41 IonicContact OE1-NH2 3.65Å; E3-R41 PolarHBondContact OE1-NH2 3.1Å; E3-R41 VanDerWaalsContact OE1-NH2 3.07Å; R41-V52 HydrophobicContact CG-CG1 3.75Å; R41-L53 CarbonylContact C-O 3.44Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.45Å; R41-E54 HydrophobicContact CG-CG 4.42Å
42K96.7Very high89.3Confident55 Ų5580.4 Ų80.424%0.23941%0.407CS..EExtended strand (participates in β ladder)trans-139.1132.3178.7-166.9-172.4-178.4-176.80110.9F23 I44 L53F23-K42 HydrophobicContact CD1-CD 3.87Å; F23-K42 HydrophobicContact CE1-CB 4.3Å; F23-K42 HydrophobicContact CE1-CD 3.5Å; F23-K42 VanDerWaalsContact CE1-CD 3.5Å; F23-K42 HydrophobicContact CE1-CG 4.48Å; F23-K42 HydrophobicContact CE2-CD 4.27Å; F23-K42 HydrophobicContact CG-CD 4.43Å; F23-K42 HydrophobicContact CZ-CD 3.75Å; F23-K42 PolarHBondContact O-NZ 2.81Å; K42-I44 HydrophobicContact CD-CG2 3.89Å; K42-I44 HydrophobicContact CG-CG2 4.09Å; K42-L53 PolarHBondContact N-O 2.68Å; K42-L53 PolarHBondContact O-N 2.8Å
43E97.6Very high90.8Very high128 Ų12873 Ų7360%0.59838%0.378SS*.EExtended strand (participates in β ladder)trans-79.9130.6167.1-70.4-177.2-168.700109.5M1 V52M1-E43 HydrophobicContact CE-CB 3.95Å; M1-E43 HydrophobicContact CE-CG 3.88Å; M1-E43 HydrophobicContact SD-CG 4.16Å; E43-V52 HydrophobicContact CG-CG2 4.32Å
44I96.4Very high91.9Very high25 Ų2569.4 Ų69.413%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-136.9162.2177.963.1171.6000110.9F23 K42 V46 S51 L53 V161F23-I44 HydrophobicContact CE1-CG2 4.4Å; F23-I44 HydrophobicContact CE2-CG2 4.36Å; F23-I44 HydrophobicContact CZ-CD1 4.37Å; F23-I44 HydrophobicContact CZ-CG2 3.64Å; K42-I44 HydrophobicContact CD-CG2 3.89Å; K42-I44 HydrophobicContact CG-CG2 4.09Å; I44-V46 HydrophobicContact CD1-CG2 3.52Å; I44-V46 HydrophobicContact CG1-CG2 3.99Å; I44-S51 PolarHBondContact N-O 3.42Å; I44-S51 PolarHBondContact O-N 2.99Å; I44-S51 VanDerWaalsContact O-O 3.04Å; I44-L53 HydrophobicContact CD1-CD1 3.99Å; I44-L53 HydrophobicContact CD1-CD2 4.21Å; I44-V161 HydrophobicContact CD1-CG2 4.16Å
45E95.6Very high92.9Very high143 Ų14365.4 Ų65.467%0.66833%0.331SS*.EExtended strand (participates in β ladder)trans-110.9120.8169.8-170.9179.2137.500108.1S48E45-S48 WeakPolarHBondContact OE1-CA 3.47Å
46V95.1Very high93.8Very high6 Ų665 Ų654%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-120.1121176.4-178.90000107.2I44 S48 S49 A158 V161 R162I44-V46 HydrophobicContact CD1-CG2 3.52Å; I44-V46 HydrophobicContact CG1-CG2 3.99Å; V46-S48 VanDerWaalsContact C-N 3.26Å; V46-S48 PolarHBondContact O-N 3.28Å; V46-S49 PolarHBondContact N-O 3.02Å; V46-S49 WeakPolarHBondContact O-CA 3.42Å; V46-S49 VanDerWaalsContact O-CB 3.32Å; V46-S49 WeakPolarHBondContact O-CB 3.42Å; V46-S49 PolarHBondContact O-N 3.07Å; V46-A158 HydrophobicContact CG2-CB 4.21Å; V46-V161 HydrophobicContact CB-CB 4.46Å; V46-V161 HydrophobicContact CB-CG1 4.06Å; V46-V161 HydrophobicContact CG1-CB 4.23Å; V46-V161 HydrophobicContact CG1-CG1 4.05Å; V46-V161 HydrophobicContact CG2-CB 4.01Å; V46-V161 HydrophobicContact CG2-CG1 4Å; V46-V161 HydrophobicContact CG2-CG2 4.2Å; V46-R162 HydrophobicContact CG1-CG 3.8Å
47D93.2Very high94.5Very high99 Ų9960 Ų6053%0.52930%0.302SS..THydrogen-bonded Turntrans49.147.2-179.1-52.2-23000112.7S49 R162D47-S49 PolarHBondContact O-N 3.38Å; D47-S49 VanDerWaalsContact O-N 3.15Å; D47-R162 IonicContact OD1-CZ 3.03Å; D47-R162 IonicContact OD1-NE 2.81Å; D47-R162 PolarHBondContact OD1-NE 2.74Å; D47-R162 IonicContact OD1-NH2 3.72Å; D47-R162 PolarHBondContact OD1-NH2 2.62Å; D47-R162 VanDerWaalsContact OD2-CD 3.32Å; D47-R162 WeakPolarHBondContact OD2-CD 3.45Å; D47-R162 IonicContact OD2-NE 3.57Å; D47-R162 PolarHBondContact OD2-NE 3.22Å
48S91.9Very high94.9Very high99 Ų9956.7 Ų56.769%0.69229%0.287SS*.THydrogen-bonded Turntrans6214.8-176.5-58.10000115.7E45 V46E45-S48 WeakPolarHBondContact OE1-CA 3.47Å; V46-S48 VanDerWaalsContact C-N 3.26Å; V46-S48 PolarHBondContact O-N 3.28Å
49S93.1Very high94.5Very high66 Ų6653.8 Ų53.846%0.46227%0.273SS..EExtended strand (participates in β ladder)trans-108118.8176.6-63.60000111.1V46 D47 S51V46-S49 PolarHBondContact N-O 3.02Å; V46-S49 WeakPolarHBondContact O-CA 3.42Å; V46-S49 VanDerWaalsContact O-CB 3.32Å; V46-S49 WeakPolarHBondContact O-CB 3.42Å; V46-S49 PolarHBondContact O-N 3.07Å; D47-S49 PolarHBondContact O-N 3.38Å; D47-S49 VanDerWaalsContact O-N 3.15Å; S49-S51 PolarHBondContact O-N 2.9Å; S49-S51 PolarHBondContact O-OG 3.34Å
50P95.3Very high93.4Very high77 Ų7747.9 Ų47.950%0.525%0.251SS..EExtended strand (participates in β ladder)trans-69.2125.2178.327.3-33.3000110.8M1M1-P50 HydrophobicContact CE-CB 3.65Å; M1-P50 VanDerWaalsContact CG-C 3.46Å; M1-P50 HydrophobicContact CG-CB 4.06Å; M1-P50 WeakPolarHBondContact CG-O 3.36Å
51S96.2Very high92Very high3 Ų347.9 Ų47.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-133.9150.1-172.6-630000111.5R2 I44 S49R2-S51 WeakPolarHBondContact O-CA 3.25Å; I44-S51 PolarHBondContact N-O 3.42Å; I44-S51 PolarHBondContact O-N 2.99Å; I44-S51 VanDerWaalsContact O-O 3.04Å; S49-S51 PolarHBondContact O-N 2.9Å; S49-S51 PolarHBondContact O-OG 3.34Å
52V97.3Very high90.4Very high3 Ų349.5 Ų49.52%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-110.1125.1172.2-177.20000108.4M1 R2 E3 Y4 R41 E43M1-V52 HydrophobicContact CB-CG2 4.24Å; M1-V52 HydrophobicContact CG-CG2 3.85Å; M1-V52 HydrophobicContact SD-CG2 3.42Å; M1-V52 WeakPolarHBondContact SD-CG2 3.46Å; R2-V52 PolarHBondContact O-N 3.2Å; E3-V52 CarbonylContact C-O 3.57Å; E3-V52 WeakPolarHBondContact CA-O 3.41Å; E3-V52 HydrophobicContact CB-CB 4.47Å; E3-V52 HydrophobicContact CG-CB 4.09Å; E3-V52 HydrophobicContact CG-CG2 4.39Å; Y4-V52 PolarHBondContact N-O 3.16Å; R41-V52 HydrophobicContact CG-CG1 3.75Å; E43-V52 HydrophobicContact CG-CG2 4.32Å
53L97.6Very high88.8Confident0 Ų054.7 Ų54.70%030%0.296CS..EExtended strand (participates in β ladder)trans-100.9119.9172.9-12468.8000110.4Y4 V6 F23 R41 K42 I44 I55 F157 V161Y4-L53 HydrophobicContact CD2-CD1 4.34Å; Y4-L53 HydrophobicContact CG-CD1 4.41Å; V6-L53 HydrophobicContact CG2-CD1 4.48Å; V6-L53 HydrophobicContact CG2-CD2 4.23Å; V6-L53 HydrophobicContact CG2-CG 4.11Å; F23-L53 HydrophobicContact CE1-CD2 4.18Å; F23-L53 HydrophobicContact CZ-CD2 4.43Å; R41-L53 CarbonylContact C-O 3.44Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.45Å; K42-L53 PolarHBondContact N-O 2.68Å; K42-L53 PolarHBondContact O-N 2.8Å; I44-L53 HydrophobicContact CD1-CD1 3.99Å; I44-L53 HydrophobicContact CD1-CD2 4.21Å; L53-I55 HydrophobicContact CB-CG1 4.36Å; L53-I55 HydrophobicContact CD2-CD1 4.32Å; L53-I55 HydrophobicContact CD2-CG1 4.21Å; L53-I55 HydrophobicContact CG-CG1 4.42Å; L53-F157 HydrophobicContact CD2-CB 3.99Å; L53-F157 HydrophobicContact CD2-CD1 3.87Å; L53-F157 HydrophobicContact CD2-CG 4.38Å; L53-V161 HydrophobicContact CD1-CG2 3.11Å; L53-V161 HydrophobicContact CD2-CG2 4.49Å; L53-V161 HydrophobicContact CG-CG2 4.4Å
54E97.9Very high87.2Confident61 Ų6151.6 Ų51.629%0.28528%0.281SS..EExtended strand (participates in β ladder)trans-97.7112.3164.5-62.6-171.6156.900107.9Y4 K5 V6 Y40 R41Y4-E54 PolarHBondContact O-N 2.92Å; K5-E54 CarbonylContact C-O 3.54Å; K5-E54 WeakPolarHBondContact CA-O 3.36Å; K5-E54 WeakPolarHBondContact CE-OE2 3.26Å; K5-E54 HydrophobicContact CG-CB 4.35Å; V6-E54 PolarHBondContact N-O 3.15Å; Y40-E54 CarbonylContact O-C 3.6Å; Y40-E54 WeakPolarHBondContact O-CA 3.47Å; R41-E54 HydrophobicContact CG-CG 4.42Å
55I97.9Very high85.7Confident1 Ų152.7 Ų52.71%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-107.9121.7-176.2-53.1164.5000108.1V6 V8 T20 F23 V24 Y40 L53 F157V6-I55 WeakPolarHBondContact O-CA 3.31Å; V8-I55 HydrophobicContact CG2-CG2 3.78Å; T20-I55 HydrophobicContact CG2-CB 4.24Å; T20-I55 HydrophobicContact CG2-CD1 4.32Å; T20-I55 HydrophobicContact CG2-CG2 3.7Å; F23-I55 HydrophobicContact CD1-CD1 3.64Å; F23-I55 HydrophobicContact CE1-CD1 3.77Å; V24-I55 HydrophobicContact CG2-CD1 4.28Å; Y40-I55 PolarHBondContact N-O 3.4Å; Y40-I55 PolarHBondContact O-N 3.31Å; L53-I55 HydrophobicContact CB-CG1 4.36Å; L53-I55 HydrophobicContact CD2-CD1 4.32Å; L53-I55 HydrophobicContact CD2-CG1 4.21Å; L53-I55 HydrophobicContact CG-CG1 4.42Å; I55-F157 HydrophobicContact CD1-CD1 3.9Å; I55-F157 HydrophobicContact CD1-CE1 3.66Å; I55-F157 HydrophobicContact CD1-CZ 4.36Å; I55-F157 HydrophobicContact CG1-CD1 4.42Å; I55-F157 HydrophobicContact CG1-CE1 4.18Å; I55-F157 HydrophobicContact CG2-CE1 4.17Å
56L96.1Very high84.5Confident14 Ų1451 Ų517%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-97.8107.9168.6175.555.2000109.1V6 V7 V8 E37 F39 T58 Y71V6-L56 PolarHBondContact O-N 3.19Å; V7-L56 HydrophobicContact CG1-CD2 4.31Å; V7-L56 HydrophobicContact CG1-CG 4.39Å; V7-L56 HydrophobicContact CG2-CB 4.39Å; V7-L56 HydrophobicContact CG2-CD2 4.38Å; V8-L56 PolarHBondContact N-O 3.34Å; E37-L56 HydrophobicContact CB-CD1 4.24Å; F39-L56 HydrophobicContact CD1-CB 4.43Å; F39-L56 HydrophobicContact CD1-CD1 3.99Å; F39-L56 HydrophobicContact CD2-CD1 4.38Å; F39-L56 HydrophobicContact CE1-CB 4.24Å; F39-L56 HydrophobicContact CE1-CD1 3.6Å; F39-L56 HydrophobicContact CE1-CD2 4.22Å; F39-L56 HydrophobicContact CE1-CG 4.23Å; F39-L56 HydrophobicContact CE2-CD1 4.01Å; F39-L56 HydrophobicContact CG-CD1 4.37Å; F39-L56 HydrophobicContact CZ-CD1 3.61Å; F39-L56 HydrophobicContact CZ-CD2 4.39Å; L56-T58 HydrophobicContact CD2-CG2 4.39Å; L56-T58 HydrophobicContact CG-CG2 3.95Å; L56-Y71 HydrophobicContact CD2-CD1 3.41Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.41Å; L56-Y71 HydrophobicContact CD2-CD2 4.3Å; L56-Y71 HydrophobicContact CD2-CE1 4.04Å; L56-Y71 HydrophobicContact CD2-CG 3.56Å
57D92.4Very high83.7Confident0 Ų054.6 Ų54.60%032%0.315CS..EExtended strand (participates in β ladder)trans-85.5130.8168-176.334.6000109.5K16 S17 E37 D38 Y40K16-D57 VanDerWaalsContact CB-OD1 3.26Å; K16-D57 WeakPolarHBondContact CB-OD1 3.48Å; S17-D57 WeakPolarHBondContact CA-OD2 3.32Å; S17-D57 WeakPolarHBondContact CB-OD2 3.12Å; S17-D57 PolarHBondContact N-OD1 3.3Å; S17-D57 PolarHBondContact OG-OD2 3.01Å; E37-D57 WeakPolarHBondContact CA-O 3.19Å; D38-D57 HydrophobicContact CB-CB 4.42Å; D38-D57 PolarHBondContact N-O 3.14Å; D38-D57 PolarHBondContact O-N 3.04Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å
58T87.5Confident83.2Confident6 Ų651.5 Ų51.54%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-117.2152.8-17165.60000112.2V7 V8 L9 K16 L56 G60 Y71V7-T58 HydrophobicContact CG1-CG2 3.82Å; V8-T58 PolarHBondContact O-OG1 2.98Å; L9-T58 HydrophobicContact CD2-CG2 4.05Å; K16-T58 WeakPolarHBondContact CE-O 3.32Å; L56-T58 HydrophobicContact CD2-CG2 4.39Å; L56-T58 HydrophobicContact CG-CG2 3.95Å; T58-G60 PolarHBondContact O-N 3.41Å; T58-Y71 HydrophobicContact CG2-CD2 4Å; T58-Y71 HydrophobicContact CG2-CE2 4.38Å
59A82.7Confident83Confident8 Ų850.4 Ų50.47%0.06628%0.282CS..  trans-56.6135.3165.500000111.2T35 I36 T61 F64T35-A59 WeakPolarHBondContact O-CA 3.35Å; T35-A59 WeakPolarHBondContact O-CB 3.37Å; I36-A59 VanDerWaalsContact O-CB 3.3Å; I36-A59 WeakPolarHBondContact O-CB 3.3Å; I36-A59 PolarHBondContact O-N 3.07Å; A59-T61 PolarHBondContact O-N 3.19Å; A59-F64 HydrophobicContact CB-CD2 3.7Å; A59-F64 HydrophobicContact CB-CE2 4.19Å
60G67.9Low82.8Confident18 Ų1852 Ų5219%0.18629%0.285CS..  trans-82.78.2172.300000114.7G10 G12 K16 T58G10-G60 VanDerWaalsContact O-CA 3.26Å; G10-G60 WeakPolarHBondContact O-CA 3.41Å; G12-G60 PolarHBondContact N-O 2.98Å; G12-G60 VanDerWaalsContact N-O 3.14Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å; T58-G60 PolarHBondContact O-N 3.41Å
61T66.4Low82.6Confident56 Ų5649.3 Ų49.334%0.34427%0.265SS..SBendtrans-100.4149.1-175.461.20000111.6A59 Q63A59-T61 PolarHBondContact O-N 3.19Å; T61-Q63 PolarHBondContact O-N 3.05Å
62E63.5Low82.4Confident171 Ų17149.2 Ų49.280%0.79926%0.264SS*.G310 helixtrans-69.8-13.5178.8-61.1-162.5140.600113.7F64 A65E62-F64 PolarHBondContact O-N 2.83Å; E62-A65 WeakPolarHBondContact O-CB 3.33Å; E62-A65 PolarHBondContact O-N 2.96Å; E62-A65 VanDerWaalsContact O-N 3.12Å
63Q62.4Low82.1Confident165 Ų16556 Ų5677%0.77129%0.294SS*.G310 helixtrans-61.9-18-177.3-68169.8-10.900113.5T61T61-Q63 PolarHBondContact O-N 3.05Å
64F65Low81.9Confident62 Ų6260.4 Ų60.427%0.27232%0.317SS..G310 helixtrans-112.723-180-57.8-77.8000113.3I36 A59 E62 S66 M67 R68I36-F64 HydrophobicContact CG1-CZ 4.4Å; I36-F64 HydrophobicContact CG2-CE1 4.04Å; I36-F64 HydrophobicContact CG2-CE2 4.49Å; I36-F64 HydrophobicContact CG2-CZ 3.99Å; A59-F64 HydrophobicContact CB-CD2 3.7Å; A59-F64 HydrophobicContact CB-CE2 4.19Å; E62-F64 PolarHBondContact O-N 2.83Å; F64-S66 PolarHBondContact O-N 2.99Å; F64-S66 VanDerWaalsContact O-N 3.13Å; F64-M67 HydrophobicContact CD1-SD 4.26Å; F64-M67 PolarHBondContact O-N 2.75Å; F64-R68 PolarHBondContact O-N 3.2Å
65A64.8Low81.8Confident48 Ų4857.6 Ų57.640%0.39730%0.304SS..Hα-helixtrans-55.3-32.2-177.300000114.2E62 M67 R68E62-A65 WeakPolarHBondContact O-CB 3.33Å; E62-A65 PolarHBondContact O-N 2.96Å; E62-A65 VanDerWaalsContact O-N 3.12Å; A65-M67 VanDerWaalsContact C-N 3.33Å; A65-M67 PolarHBondContact O-N 2.93Å; A65-R68 VanDerWaalsContact O-CB 3.31Å; A65-R68 WeakPolarHBondContact O-CB 3.38Å; A65-R68 PolarHBondContact O-N 3.03Å
66S69.9Low81.7Confident108 Ų10861.5 Ų61.576%0.75532%0.323SS*.Hα-helixtrans-68.3-28.8177.954.50000113.7F64F64-S66 PolarHBondContact O-N 2.99Å; F64-S66 VanDerWaalsContact O-N 3.13Å
67M78.3Confident81.7Confident82 Ų8260.8 Ų60.840%0.40432%0.319SS..Hα-helixtrans-81.6-24.6176.2-60.7-176.5168.300111.8F64 A65 D69 L70 Y71F64-M67 HydrophobicContact CD1-SD 4.26Å; F64-M67 PolarHBondContact O-N 2.75Å; A65-M67 VanDerWaalsContact C-N 3.33Å; A65-M67 PolarHBondContact O-N 2.93Å; M67-D69 VanDerWaalsContact C-N 3.33Å; M67-D69 PolarHBondContact O-N 3.08Å; M67-L70 WeakPolarHBondContact O-CB 3.22Å; M67-L70 PolarHBondContact O-N 2.9Å; M67-Y71 HydrophobicContact CB-CE1 4.33Å; M67-Y71 HydrophobicContact CB-CE2 3.66Å; M67-Y71 WeakPolarHBondContact CB-OH 3.24Å; M67-Y71 WeakPolarHBondContact O-CD2 3.23Å; M67-Y71 PolarHBondContact O-N 2.56Å; M67-Y71 VanDerWaalsContact O-N 3.12Å; M67-Y71 PolarHBondContact SD-OH 3.07Å
68R82.8Confident82Confident33 Ų3360.8 Ų60.813%0.12532%0.319CS..Hα-helixtrans-57.8-41.8-178.8-167.2178.8-69.3-174.30.3112.9F64 A65 L70 Y71 I72F64-R68 PolarHBondContact O-N 3.2Å; A65-R68 VanDerWaalsContact O-CB 3.31Å; A65-R68 WeakPolarHBondContact O-CB 3.38Å; A65-R68 PolarHBondContact O-N 3.03Å; R68-L70 VanDerWaalsContact C-N 3.26Å; R68-L70 PolarHBondContact O-N 3.16Å; R68-Y71 PolarHBondContact O-N 2.89Å; R68-I72 HydrophobicContact CG-CD1 3.84Å; R68-I72 HydrophobicContact CG-CG1 4.38Å; R68-I72 WeakPolarHBondContact O-CB 3.11Å; R68-I72 VanDerWaalsContact O-CG1 3.25Å; R68-I72 WeakPolarHBondContact O-CG1 3.46Å; R68-I72 PolarHBondContact O-N 3.12Å
69D88.6Confident82.5Confident77 Ų7760.6 Ų60.641%0.41232%0.318SS..Hα-helixtrans-62.6-34.5177.3-80.25.8000112.1M67 K73 Q99 V103M67-D69 VanDerWaalsContact C-N 3.33Å; M67-D69 PolarHBondContact O-N 3.08Å; D69-K73 WeakPolarHBondContact O-CB 3.49Å; D69-K73 PolarHBondContact O-N 3.26Å; D69-Q99 PolarHBondContact OD1-NE2 3.09Å; D69-V103 HydrophobicContact CB-CG2 4.42Å
70L88.6Confident83.2Confident98 Ų9860.2 Ų60.251%0.51331%0.314SS..Hα-helixtrans-68.9-44.6176.8-178.162.9000111.2M67 R68 K73 N74M67-L70 WeakPolarHBondContact O-CB 3.22Å; M67-L70 PolarHBondContact O-N 2.9Å; R68-L70 VanDerWaalsContact C-N 3.26Å; R68-L70 PolarHBondContact O-N 3.16Å; L70-K73 PolarHBondContact O-N 2.9Å; L70-N74 WeakPolarHBondContact CD1-ND2 3.45Å; L70-N74 WeakPolarHBondContact O-CB 3.46Å; L70-N74 PolarHBondContact O-N 2.83Å; L70-N74 PolarHBondContact O-ND2 3.06Å
71Y89.9Confident84.7Confident22 Ų2259.3 Ų59.39%0.08631%0.306CS..Hα-helixtrans-61.5-45.9176-52.1-34.2000111.2E37 L56 T58 M67 R68 K73 N74 G75E37-Y71 VanDerWaalsContact OE2-CE1 3.24Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.44Å; E37-Y71 PolarHBondContact OE2-OH 3.12Å; L56-Y71 HydrophobicContact CD2-CD1 3.41Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.41Å; L56-Y71 HydrophobicContact CD2-CD2 4.3Å; L56-Y71 HydrophobicContact CD2-CE1 4.04Å; L56-Y71 HydrophobicContact CD2-CG 3.56Å; T58-Y71 HydrophobicContact CG2-CD2 4Å; T58-Y71 HydrophobicContact CG2-CE2 4.38Å; M67-Y71 HydrophobicContact CB-CE1 4.33Å; M67-Y71 HydrophobicContact CB-CE2 3.66Å; M67-Y71 WeakPolarHBondContact CB-OH 3.24Å; M67-Y71 WeakPolarHBondContact O-CD2 3.23Å; M67-Y71 PolarHBondContact O-N 2.56Å; M67-Y71 VanDerWaalsContact O-N 3.12Å; M67-Y71 PolarHBondContact SD-OH 3.07Å; R68-Y71 PolarHBondContact O-N 2.89Å; Y71-K73 PolarHBondContact O-N 2.81Å; Y71-N74 PolarHBondContact O-N 3.16Å; Y71-G75 PolarHBondContact O-N 2.96Å
72I92.6Very high86.2Confident1 Ų156.7 Ų56.71%0.00529%0.289CS..Hα-helixtrans-63-43.4176.4-66.3169.5000110.8L9 R68 N74 F78 Q99 I100 V103 K104L9-I72 HydrophobicContact CD1-CG1 4.33Å; R68-I72 HydrophobicContact CG-CD1 3.84Å; R68-I72 HydrophobicContact CG-CG1 4.38Å; R68-I72 WeakPolarHBondContact O-CB 3.11Å; R68-I72 VanDerWaalsContact O-CG1 3.25Å; R68-I72 WeakPolarHBondContact O-CG1 3.46Å; R68-I72 PolarHBondContact O-N 3.12Å; I72-N74 VanDerWaalsContact C-N 3.27Å; I72-N74 PolarHBondContact O-N 2.9Å; I72-F78 HydrophobicContact CB-CE1 4.27Å; I72-F78 HydrophobicContact CB-CZ 4.47Å; I72-F78 HydrophobicContact CG1-CE1 4.16Å; I72-F78 HydrophobicContact CG2-CE1 4.26Å; I72-F78 HydrophobicContact CG2-CZ 4.09Å; I72-F78 WeakPolarHBondContact O-CZ 3.42Å; I72-Q99 HydrophobicContact CD1-CB 4.41Å; I72-Q99 HydrophobicContact CD1-CG 3.84Å; I72-I100 HydrophobicContact CD1-CG1 3.98Å; I72-I100 HydrophobicContact CG1-CG1 4.13Å; I72-I100 HydrophobicContact CG2-CB 4.37Å; I72-I100 HydrophobicContact CG2-CG1 4.3Å; I72-I100 HydrophobicContact CG2-CG2 4.4Å; I72-V103 HydrophobicContact CB-CB 4.33Å; I72-V103 HydrophobicContact CB-CG1 4.05Å; I72-V103 HydrophobicContact CG2-CB 3.58Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.28Å; I72-K104 HydrophobicContact CG2-CG 4.32Å; I72-K104 WeakPolarHBondContact O-CE 3.48Å; I72-K104 PolarHBondContact O-NZ 3.47Å
73K92.3Very high87.9Confident145 Ų14548.6 Ų48.663%0.6325%0.252SS*.Hα-helixtrans-58.7-42.1177.9-174.4177.3179.7-177.50111.4D69 L70 Y71 V103 K104D69-K73 WeakPolarHBondContact O-CB 3.49Å; D69-K73 PolarHBondContact O-N 3.26Å; L70-K73 PolarHBondContact O-N 2.9Å; Y71-K73 PolarHBondContact O-N 2.81Å; K73-V103 HydrophobicContact CB-CG1 4.14Å; K73-K104 PolarHBondContact O-NZ 3.03Å
74N92.1Very high89.6Confident92 Ų9240.8 Ų40.849%0.49222%0.215SC..Hα-helixtrans-87.9-25.2-174.2-65.4-24.1000115L70 Y71 I72L70-N74 WeakPolarHBondContact CD1-ND2 3.45Å; L70-N74 WeakPolarHBondContact O-CB 3.46Å; L70-N74 PolarHBondContact O-N 2.83Å; L70-N74 PolarHBondContact O-ND2 3.06Å; Y71-N74 PolarHBondContact O-N 3.16Å; I72-N74 VanDerWaalsContact C-N 3.27Å; I72-N74 PolarHBondContact O-N 2.9Å
75G95.2Very high91.2Very high2 Ų239 Ų392%0.02121%0.209CC..  trans-71.1141-17900000113.1Y71 K104Y71-G75 PolarHBondContact O-N 2.96Å; G75-K104 WeakPolarHBondContact O-CE 3.33Å; G75-K104 PolarHBondContact O-NZ 2.86Å
76Q96Very high92.8Very high83 Ų8339.6 Ų39.639%0.38821%0.206SC..SBendtrans-93.3-30.7178-69168.2-6100112.5K5 P110 M164K5-Q76 HydrophobicContact CB-CG 4.34Å; K5-Q76 WeakPolarHBondContact O-CA 3.38Å; K5-Q76 PolarHBondContact O-N 3.44Å; Q76-P110 WeakPolarHBondContact O-CD 3.26Å; Q76-P110 WeakPolarHBondContact O-CG 3.32Å; Q76-M164 HydrophobicContact CB-CG 4.43Å; Q76-M164 HydrophobicContact CB-SD 3.57Å; Q76-M164 VanDerWaalsContact CB-SD 3.57Å
77G97.3Very high94.1Very high0 Ų036.9 Ų36.90%018%0.181CC..EExtended strand (participates in β ladder)trans-137.5153.3175.400000112.1K5 V6 V7 P110 M164K5-G77 PolarHBondContact O-N 3.02Å; K5-G77 VanDerWaalsContact O-N 3.14Å; V6-G77 WeakPolarHBondContact CA-O 3.48Å; V7-G77 PolarHBondContact N-O 3.05Å; G77-P110 WeakPolarHBondContact CA-O 3.29Å; G77-M164 PolarHBondContact N-SD 2.82Å; G77-M164 VanDerWaalsContact N-SD 3.39Å
78F97.9Very high95Very high0 Ų037.9 Ų37.90%019%0.185CC..EExtended strand (participates in β ladder)trans-126.8127.8-173.4-59.1-83.3000111.3V7 L9 I72 I100 K104 V109 P110 V111 I112V7-F78 HydrophobicContact CB-CD1 3.92Å; V7-F78 HydrophobicContact CB-CE1 3.97Å; V7-F78 HydrophobicContact CG2-CD1 4.45Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 WeakPolarHBondContact O-CA 3.31Å; L9-F78 HydrophobicContact CD1-CD1 3.93Å; I72-F78 HydrophobicContact CB-CE1 4.27Å; I72-F78 HydrophobicContact CB-CZ 4.47Å; I72-F78 HydrophobicContact CG1-CE1 4.16Å; I72-F78 HydrophobicContact CG2-CE1 4.26Å; I72-F78 HydrophobicContact CG2-CZ 4.09Å; I72-F78 WeakPolarHBondContact O-CZ 3.42Å; F78-I100 HydrophobicContact CB-CD1 3.83Å; F78-I100 HydrophobicContact CD1-CD1 3.94Å; F78-I100 HydrophobicContact CD1-CG1 4.14Å; F78-I100 HydrophobicContact CD2-CD1 4.47Å; F78-I100 HydrophobicContact CD2-CG2 3.72Å; F78-I100 HydrophobicContact CE2-CG2 3.86Å; F78-I100 HydrophobicContact CG-CD1 3.79Å; F78-I100 HydrophobicContact CG-CG1 4.26Å; F78-I100 HydrophobicContact CG-CG2 4.11Å; F78-I100 HydrophobicContact CZ-CG2 4.36Å; F78-K104 HydrophobicContact CE2-CG 4.32Å; F78-V109 HydrophobicContact CD2-CG1 3.6Å; F78-V109 HydrophobicContact CE2-CG1 3.66Å; F78-P110 PolarHBondContact N-O 3.42Å; F78-V111 HydrophobicContact CB-CG2 4.26Å; F78-V111 CarbonylContact O-C 3.58Å; F78-V111 VanDerWaalsContact O-CA 3.28Å; F78-V111 WeakPolarHBondContact O-CA 3.41Å; F78-I112 PolarHBondContact O-N 3.01Å
79I98.6Very high95.7Very high1 Ų136.3 Ų36.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-104.1115.9171.1-62.7171.4000107.1V6 V7 V8 L9 V81 V114 L156 F157 I160V6-I79 HydrophobicContact CG1-CD1 3.64Å; V6-I79 HydrophobicContact CG1-CG1 3.91Å; V7-I79 PolarHBondContact O-N 3.24Å; V8-I79 HydrophobicContact CG1-CB 4.42Å; V8-I79 HydrophobicContact CG1-CG2 4.39Å; V8-I79 HydrophobicContact CG2-CD1 4.47Å; L9-I79 PolarHBondContact N-O 2.74Å; I79-V81 HydrophobicContact CG2-CG2 3.7Å; I79-V114 HydrophobicContact CG2-CB 4.46Å; I79-V114 HydrophobicContact CG2-CG2 3.65Å; I79-L156 HydrophobicContact CD1-CD1 4.19Å; I79-L156 HydrophobicContact CD1-CD2 4.47Å; I79-L156 HydrophobicContact CD1-CG 4.14Å; I79-L156 HydrophobicContact CG1-CD1 4.32Å; I79-L156 HydrophobicContact CG2-CD1 4.04Å; I79-L156 HydrophobicContact CG2-CD2 4.16Å; I79-F157 HydrophobicContact CD1-CD1 3.91Å; I79-F157 HydrophobicContact CD1-CE1 3.75Å; I79-F157 HydrophobicContact CD1-CZ 4.4Å; I79-I160 HydrophobicContact CD1-CB 4.46Å; I79-I160 HydrophobicContact CD1-CG2 4.2Å; I79-I160 HydrophobicContact CG1-CB 4.33Å; I79-I160 HydrophobicContact CG1-CG1 4.21Å
80L98.1Very high96.2Very high0 Ų033.7 Ų33.70%016%0.164CC..EExtended strand (participates in β ladder)trans-99.1105179.2-70.6-179.9000109.7L9 I93 M96 R97 I100 V111 I112 L113 V114 W138L9-L80 HydrophobicContact CB-CD2 3.94Å; L9-L80 HydrophobicContact CD1-CD2 4.48Å; L80-I93 HydrophobicContact CB-CG2 3.68Å; L80-I93 HydrophobicContact CD1-CG2 3.69Å; L80-I93 HydrophobicContact CD2-CG2 4.25Å; L80-I93 HydrophobicContact CG-CG2 4.08Å; L80-M96 HydrophobicContact CD2-CB 4.25Å; L80-R97 HydrophobicContact CD1-CB 3.89Å; L80-R97 HydrophobicContact CD1-CG 4.23Å; L80-I100 HydrophobicContact CD1-CD1 4.38Å; L80-I100 HydrophobicContact CD2-CD1 3.82Å; L80-I100 HydrophobicContact CG-CD1 4.36Å; L80-V111 HydrophobicContact CD1-CG1 3.64Å; L80-V111 HydrophobicContact CG-CG1 4.04Å; L80-I112 PolarHBondContact N-O 3.29Å; L80-L113 HydrophobicContact CB-CD1 4.45Å; L80-V114 PolarHBondContact O-N 2.83Å; L80-W138 HydrophobicContact CD1-CH2 4.49Å; L80-W138 HydrophobicContact CD1-CZ3 3.83Å
81V98.5Very high96.6Very high0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-104.1123.7-173.2-169.40000110.9V8 L9 G10 V14 K16 L19 I79 I93 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.67Å; L9-V81 PolarHBondContact O-N 3.12Å; G10-V81 VanDerWaalsContact CA-O 3.31Å; G10-V81 WeakPolarHBondContact CA-O 3.48Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.07Å; V14-V81 HydrophobicContact CG2-CG1 3.93Å; V14-V81 WeakPolarHBondContact CG2-O 3.42Å; K16-V81 HydrophobicContact CG-CB 4.21Å; K16-V81 HydrophobicContact CG-CG2 4.33Å; L19-V81 HydrophobicContact CD1-CG1 3.95Å; L19-V81 HydrophobicContact CD1-CG2 4.13Å; I79-V81 HydrophobicContact CG2-CG2 3.7Å; V81-I93 WeakPolarHBondContact O-CD1 3.24Å; V81-V114 WeakPolarHBondContact CA-O 3.47Å; V81-V114 HydrophobicContact CG1-CG1 4.44Å; V81-V114 HydrophobicContact CG2-CB 4.33Å; V81-N116 HydrophobicContact CG1-CB 3.77Å
82Y98.6Very high96.8Very high0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-115.7170.1162.471-82.5000110.5L84 S89 F90 I93 L113 V114 N116 V126 F142Y82-L84 HydrophobicContact CE2-CD2 3.77Å; Y82-S89 WeakPolarHBondContact CB-O 3.5Å; 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 3.75Å; Y82-F90 HydrophobicContact CD2-CD2 3.75Å; Y82-F90 HydrophobicContact CD2-CG 4.2Å; Y82-F90 AromaticContact CE1-CD2 3.76Å; Y82-F90 HydrophobicContact CE1-CD2 3.76Å; Y82-F90 HydrophobicContact CE1-CE2 4.06Å; Y82-F90 HydrophobicContact CE2-CB 4.25Å; Y82-F90 AromaticContact CE2-CD2 3.62Å; Y82-F90 HydrophobicContact CE2-CD2 3.62Å; Y82-F90 HydrophobicContact CE2-CE2 4.33Å; Y82-F90 HydrophobicContact CE2-CG 4.25Å; Y82-F90 HydrophobicContact CG-CB 4.17Å; Y82-F90 AromaticContact CG-CD2 3.88Å; Y82-F90 HydrophobicContact CG-CD2 3.88Å; Y82-F90 AromaticContact CZ-CD2 3.63Å; Y82-F90 AromaticContact CZ-CE2 3.94Å; Y82-I93 HydrophobicContact CD1-CG1 4.47Å; Y82-L113 HydrophobicContact CD1-CD1 3.79Å; Y82-L113 HydrophobicContact CE1-CD1 3.81Å; Y82-L113 HydrophobicContact CE1-CD2 4.46Å; Y82-L113 HydrophobicContact CE1-CG 4.04Å; Y82-V114 WeakPolarHBondContact CD1-O 3.33Å; Y82-V114 WeakPolarHBondContact CE1-O 3.4Å; Y82-V114 PolarHBondContact N-O 3.4Å; Y82-N116 WeakPolarHBondContact O-CB 3.34Å; Y82-N116 PolarHBondContact O-N 3.16Å; Y82-V126 HydrophobicContact CD2-CG2 4.27Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.68Å; Y82-V126 HydrophobicContact CE2-CG2 4Å; Y82-F142 HydrophobicContact CE1-CE2 4.12Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.3Å; Y82-F142 WeakPolarHBondContact OH-CZ 3.38Å
83S98.4Very high96.9Very high2 Ų235.4 Ų35.41%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-103.3128.4176.6169.60000109.3V85 N86 S89 K117S83-V85 PolarHBondContact O-N 2.93Å; S83-V85 VanDerWaalsContact O-N 3.14Å; S83-V85 VanDerWaalsContact OG-CG2 3.25Å; S83-V85 WeakPolarHBondContact OG-CG2 3.21Å; S83-N86 PolarHBondContact O-N 3.22Å; S83-S89 PolarHBondContact N-OG 2.77Å; S83-S89 PolarHBondContact O-OG 2.92Å; S83-K117 WeakPolarHBondContact OG-CD 3.16Å
84L98.6Very high97Very high1 Ų132.8 Ų32.81%0.00516%0.16CC..THydrogen-bonded Turntrans-60.9-24.1178.3-68172.7000112.9Y82 N116 V118 E125 V126 E144Y82-L84 HydrophobicContact CE2-CD2 3.77Å; L84-N116 WeakPolarHBondContact CG-O 3.46Å; L84-N116 PolarHBondContact N-O 2.72Å; L84-V118 HydrophobicContact CD1-CB 3.79Å; L84-V118 HydrophobicContact CD1-CG2 4.11Å; L84-E125 PolarHBondContact O-N 3.25Å; L84-V126 PolarHBondContact O-N 3.13Å; L84-E144 HydrophobicContact CD1-CB 4.43Å; L84-E144 HydrophobicContact CD1-CG 4.2Å; L84-E144 HydrophobicContact CD2-CG 4.43Å
85V98.4Very high97.1Very high23 Ų2332.3 Ų32.314%0.13916%0.162CC..THydrogen-bonded Turntrans-97.921.6177.8-52.10000113.3S83 K117 L120 E123S83-V85 PolarHBondContact O-N 2.93Å; S83-V85 VanDerWaalsContact O-N 3.14Å; S83-V85 VanDerWaalsContact OG-CG2 3.25Å; S83-V85 WeakPolarHBondContact OG-CG2 3.21Å; V85-K117 HydrophobicContact CG2-CD 4.09Å; V85-L120 HydrophobicContact CG1-CB 3.57Å; V85-L120 HydrophobicContact CG1-CD1 4.17Å; V85-L120 HydrophobicContact CG2-CD1 4.08Å; V85-E123 WeakPolarHBondContact CA-O 3.46Å; V85-E123 HydrophobicContact CB-CB 4.13Å; V85-E123 WeakPolarHBondContact CB-O 3.3Å; V85-E123 HydrophobicContact CG1-CB 3.64Å; V85-E123 WeakPolarHBondContact CG1-O 3.38Å
86N97.9Very high97Very high61 Ų6132.9 Ų32.933%0.32616%0.164SC..  trans-150.798.2177.2-179.5-24.1000110.5S83 Q88 S89 E125S83-N86 PolarHBondContact O-N 3.22Å; N86-Q88 VanDerWaalsContact C-N 3.28Å; N86-Q88 PolarHBondContact O-N 3.03Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.18Å; N86-Q88 PolarHBondContact OD1-N 3.19Å; N86-S89 PolarHBondContact O-N 3.03Å; N86-S89 VanDerWaalsContact O-N 3.15Å; N86-S89 PolarHBondContact O-OG 3.13Å; N86-S89 PolarHBondContact OD1-N 2.84Å; N86-E125 WeakPolarHBondContact CA-OE2 3.32Å
87Q98Very high96.9Very high52 Ų5231.6 Ų31.624%0.24316%0.156CC..Hα-helixtrans-58.9-37.1-180-17167.519.400112.7S89 F90 Q91 E125Q87-S89 VanDerWaalsContact C-N 3.29Å; Q87-S89 PolarHBondContact O-N 3.16Å; Q87-F90 WeakPolarHBondContact O-CB 3.04Å; Q87-F90 PolarHBondContact O-N 3.28Å; Q87-F90 VanDerWaalsContact O-N 3.16Å; Q87-Q91 PolarHBondContact O-N 3.38Å; Q87-E125 HydrophobicContact CB-CB 4.32Å; Q87-E125 PolarHBondContact N-OE2 2.9Å; Q87-E125 PolarHBondContact OE1-O 3.49Å
88Q97.4Very high96.7Very high102 Ų10236.2 Ų36.248%0.47718%0.181SC..Hα-helixtrans-61.6-42.1179-173.86155.600110.7N86 F90 Q91 D92N86-Q88 VanDerWaalsContact C-N 3.28Å; N86-Q88 PolarHBondContact O-N 3.03Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.18Å; N86-Q88 PolarHBondContact OD1-N 3.19Å; Q88-F90 PolarHBondContact O-N 2.92Å; Q88-Q91 WeakPolarHBondContact O-CB 3.04Å; Q88-Q91 PolarHBondContact O-N 2.98Å; Q88-D92 PolarHBondContact NE2-OD1 3.46Å; Q88-D92 PolarHBondContact O-N 3.4Å
89S97.5Very high96.5Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-61.4-28.6178.475.90000113.4Y82 S83 N86 Q87 I93Y82-S89 WeakPolarHBondContact CB-O 3.5Å; S83-S89 PolarHBondContact N-OG 2.77Å; S83-S89 PolarHBondContact O-OG 2.92Å; N86-S89 PolarHBondContact O-N 3.03Å; N86-S89 VanDerWaalsContact O-N 3.15Å; N86-S89 PolarHBondContact O-OG 3.13Å; N86-S89 PolarHBondContact OD1-N 2.84Å; Q87-S89 VanDerWaalsContact C-N 3.29Å; Q87-S89 PolarHBondContact O-N 3.16Å; S89-I93 WeakPolarHBondContact O-CG1 3.38Å
90F98.3Very high96.2Very high22 Ų2238.2 Ų38.210%0.09619%0.19CC..Hα-helixtrans-73.2-41.4174179.5-114.8000111.9Y82 Q87 Q88 D92 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 3.75Å; Y82-F90 HydrophobicContact CD2-CD2 3.75Å; Y82-F90 HydrophobicContact CD2-CG 4.2Å; Y82-F90 AromaticContact CE1-CD2 3.76Å; Y82-F90 HydrophobicContact CE1-CD2 3.76Å; Y82-F90 HydrophobicContact CE1-CE2 4.06Å; Y82-F90 HydrophobicContact CE2-CB 4.25Å; Y82-F90 AromaticContact CE2-CD2 3.62Å; Y82-F90 HydrophobicContact CE2-CD2 3.62Å; Y82-F90 HydrophobicContact CE2-CE2 4.33Å; Y82-F90 HydrophobicContact CE2-CG 4.25Å; Y82-F90 HydrophobicContact CG-CB 4.17Å; Y82-F90 AromaticContact CG-CD2 3.88Å; Y82-F90 HydrophobicContact CG-CD2 3.88Å; Y82-F90 AromaticContact CZ-CD2 3.63Å; Y82-F90 AromaticContact CZ-CE2 3.94Å; Q87-F90 WeakPolarHBondContact O-CB 3.04Å; Q87-F90 PolarHBondContact O-N 3.28Å; Q87-F90 VanDerWaalsContact O-N 3.16Å; Q88-F90 PolarHBondContact O-N 2.92Å; F90-D92 VanDerWaalsContact C-N 3.28Å; F90-D92 PolarHBondContact O-N 3.1Å; F90-I93 PolarHBondContact O-N 3.49Å; F90-V126 HydrophobicContact CB-CG2 3.76Å; F90-V126 HydrophobicContact CD1-CG1 4.15Å; F90-V126 HydrophobicContact CD1-CG2 4.46Å; F90-V126 HydrophobicContact CD2-CG1 4.1Å; F90-V126 HydrophobicContact CE1-CG1 4.33Å; F90-V126 HydrophobicContact CE2-CG1 4.28Å; F90-V126 HydrophobicContact CG-CG1 4.02Å; F90-V126 HydrophobicContact CG-CG2 4.11Å; F90-V126 HydrophobicContact CZ-CG1 4.39Å; F90-E130 HydrophobicContact CE1-CB 4.23Å; F90-E130 HydrophobicContact CZ-CB 4.14Å; F90-L134 HydrophobicContact CD2-CD2 4.33Å; F90-L134 HydrophobicContact CE1-CD2 4.43Å; F90-L134 HydrophobicContact CE2-CB 4.4Å; F90-L134 HydrophobicContact CE2-CD2 3.47Å; F90-L134 VanDerWaalsContact CE2-CD2 3.47Å; F90-L134 HydrophobicContact CZ-CB 4.08Å; F90-L134 HydrophobicContact CZ-CD2 3.53Å; F90-L134 HydrophobicContact CZ-CG 4.43Å
91Q96.9Very high96Very high106 Ų10641.6 Ų41.650%0.49521%0.208SC..Hα-helixtrans-62.7-37.2175.7-64.31781500111.9Q87 Q88 I93 P95Q87-Q91 PolarHBondContact O-N 3.38Å; Q88-Q91 WeakPolarHBondContact O-CB 3.04Å; Q88-Q91 PolarHBondContact O-N 2.98Å; Q91-I93 VanDerWaalsContact C-N 3.26Å; Q91-I93 PolarHBondContact O-N 3.27Å; Q91-P95 WeakPolarHBondContact O-CD 3.37Å
92D94.7Very high95.7Very high51 Ų5151.5 Ų51.527%0.27325%0.245SC..THydrogen-bonded Turntrans-68.8-18.9-178.3-61.7-17.3000113.6S11 Q88 F90 P95 M96S11-D92 WeakPolarHBondContact OG-CB 3.47Å; S11-D92 PolarHBondContact OG-OD2 2.8Å; Q88-D92 PolarHBondContact NE2-OD1 3.46Å; Q88-D92 PolarHBondContact O-N 3.4Å; F90-D92 VanDerWaalsContact C-N 3.28Å; F90-D92 PolarHBondContact O-N 3.1Å; D92-P95 WeakPolarHBondContact O-CD 3.42Å; D92-M96 HydrophobicContact CB-CE 4.07Å; D92-M96 WeakPolarHBondContact O-CG 3.29Å
93I94.8Very high95.4Very high0 Ų053.1 Ų53.10%026%0.255CS..Hα-helixtrans-69.8-34.6-178.4-58.3-61.7000112L80 V81 Y82 S89 F90 Q91 M96 R97 L113 W138L80-I93 HydrophobicContact CB-CG2 3.68Å; L80-I93 HydrophobicContact CD1-CG2 3.69Å; L80-I93 HydrophobicContact CD2-CG2 4.25Å; L80-I93 HydrophobicContact CG-CG2 4.08Å; V81-I93 WeakPolarHBondContact O-CD1 3.24Å; Y82-I93 HydrophobicContact CD1-CG1 4.47Å; S89-I93 WeakPolarHBondContact O-CG1 3.38Å; F90-I93 PolarHBondContact O-N 3.49Å; Q91-I93 VanDerWaalsContact C-N 3.26Å; Q91-I93 PolarHBondContact O-N 3.27Å; I93-M96 WeakPolarHBondContact O-CB 3.4Å; I93-M96 PolarHBondContact O-N 3.47Å; I93-R97 PolarHBondContact O-N 3.04Å; I93-L113 HydrophobicContact CG2-CD1 4.09Å; I93-W138 HydrophobicContact CB-CH2 4.22Å; I93-W138 HydrophobicContact CG2-CH2 3.5Å; I93-W138 VanDerWaalsContact CG2-CH2 3.5Å; I93-W138 HydrophobicContact CG2-CZ3 3.87Å
94K94.7Very high95.1Very high91 Ų9154.4 Ų54.440%0.39626%0.26SS..Hα-helixtrans-54.7-55.3-179.5-85.1-179.9178.7-161.80111.8M96 R97 D98 L134 E137 W138K94-M96 VanDerWaalsContact C-N 3.26Å; K94-M96 PolarHBondContact O-N 3.05Å; K94-R97 WeakPolarHBondContact O-CB 3.33Å; K94-R97 PolarHBondContact O-N 3.05Å; K94-R97 VanDerWaalsContact O-N 3.16Å; K94-D98 PolarHBondContact O-N 3.46Å; K94-L134 HydrophobicContact CG-CD1 4.44Å; K94-E137 IonicContact NZ-OE2 2.84Å; K94-W138 HydrophobicContact CG-CZ2 3.76Å
95P93.5Very high94.4Very high81 Ų8165.2 Ų65.253%0.52630%0.301SS..Hα-helixtrans-55.3-36.8173.5-2732.7000114.6Q91 D92 D98 Q99Q91-P95 WeakPolarHBondContact O-CD 3.37Å; D92-P95 WeakPolarHBondContact O-CD 3.42Å; P95-D98 PolarHBondContact O-N 3.39Å; P95-Q99 PolarHBondContact O-N 3.3Å
96M92.6Very high93.2Very high14 Ų1471.7 Ų71.77%0.06932%0.324CS..Hα-helixtrans-67.5-41.6178.6-62.3-172.8-153.900111.7G10 L80 D92 I93 K94 Q99 I100G10-M96 VanDerWaalsContact CA-SD 3.59Å; L80-M96 HydrophobicContact CD2-CB 4.25Å; D92-M96 HydrophobicContact CB-CE 4.07Å; D92-M96 WeakPolarHBondContact O-CG 3.29Å; I93-M96 WeakPolarHBondContact O-CB 3.4Å; I93-M96 PolarHBondContact O-N 3.47Å; K94-M96 VanDerWaalsContact C-N 3.26Å; K94-M96 PolarHBondContact O-N 3.05Å; M96-Q99 PolarHBondContact O-N 2.79Å; M96-I100 WeakPolarHBondContact O-CG1 3.32Å; M96-I100 PolarHBondContact O-N 2.9Å; M96-I100 VanDerWaalsContact O-N 3.09Å
97R94.6Very high91.7Very high56 Ų5678 Ų7821%0.21135%0.351CS..Hα-helixtrans-60.3-48.1173.4-172.1-140.4-175.4-168.8-1110.9L80 I93 K94 Q99 I100 I101 W138L80-R97 HydrophobicContact CD1-CB 3.89Å; L80-R97 HydrophobicContact CD1-CG 4.23Å; I93-R97 PolarHBondContact O-N 3.04Å; K94-R97 WeakPolarHBondContact O-CB 3.33Å; K94-R97 PolarHBondContact O-N 3.05Å; K94-R97 VanDerWaalsContact O-N 3.16Å; R97-Q99 PolarHBondContact O-N 3.22Å; R97-I100 WeakPolarHBondContact O-CA 3.42Å; R97-I100 WeakPolarHBondContact O-CB 3.41Å; R97-I100 PolarHBondContact O-N 2.96Å; R97-I101 WeakPolarHBondContact O-CG1 3.39Å; R97-I101 PolarHBondContact O-N 2.88Å; R97-W138 HydrophobicContact CB-CH2 4.25Å; R97-W138 HydrophobicContact CB-CZ2 4.36Å; R97-W138 HydrophobicContact CB-CZ3 4.4Å; R97-W138 HydrophobicContact CG-CD2 4.32Å; R97-W138 HydrophobicContact CG-CE3 4.26Å; R97-W138 HydrophobicContact CG-CZ3 4.4Å; R97-W138 VanDerWaalsContact NH2-CA 3.26Å; R97-W138 PolarHBondContact NH2-O 3.36Å
98D93.3Very high91Very high97 Ų9781.6 Ų81.652%0.51937%0.366SS..Hα-helixtrans-60-38-179.4-66.6-17.4000111.7K94 P95 I101 R102K94-D98 PolarHBondContact O-N 3.46Å; P95-D98 PolarHBondContact O-N 3.39Å; D98-I101 PolarHBondContact O-N 2.89Å; D98-R102 VanDerWaalsContact O-CB 3.29Å; D98-R102 WeakPolarHBondContact O-CB 3.37Å; D98-R102 PolarHBondContact O-N 3.42Å
99Q92.1Very high90.7Very high44 Ų4477.9 Ų77.921%0.20635%0.35CS..Hα-helixtrans-63.4-42.2173.3-170.7177-1.300112.1D69 I72 P95 M96 R97 R102 V103D69-Q99 PolarHBondContact OD1-NE2 3.09Å; I72-Q99 HydrophobicContact CD1-CB 4.41Å; I72-Q99 HydrophobicContact CD1-CG 3.84Å; P95-Q99 PolarHBondContact O-N 3.3Å; M96-Q99 PolarHBondContact O-N 2.79Å; R97-Q99 PolarHBondContact O-N 3.22Å; Q99-R102 PolarHBondContact O-N 3.03Å; Q99-V103 HydrophobicContact CG-CG2 4.45Å; Q99-V103 WeakPolarHBondContact O-CG2 3.28Å; Q99-V103 PolarHBondContact O-N 3.44Å
100I93.8Very high90.7Very high0 Ų078.6 Ų78.60%036%0.355CS..Hα-helixtrans-57.5-52.6175.7-68.1162.9000110.7L9 I72 F78 L80 M96 R97 R102 V103 K104 V109L9-I100 HydrophobicContact CD1-CD1 3.84Å; L9-I100 HydrophobicContact CD1-CG1 4.15Å; I72-I100 HydrophobicContact CD1-CG1 3.98Å; I72-I100 HydrophobicContact CG1-CG1 4.13Å; I72-I100 HydrophobicContact CG2-CB 4.37Å; I72-I100 HydrophobicContact CG2-CG1 4.3Å; I72-I100 HydrophobicContact CG2-CG2 4.4Å; F78-I100 HydrophobicContact CB-CD1 3.83Å; F78-I100 HydrophobicContact CD1-CD1 3.94Å; F78-I100 HydrophobicContact CD1-CG1 4.14Å; F78-I100 HydrophobicContact CD2-CD1 4.47Å; F78-I100 HydrophobicContact CD2-CG2 3.72Å; F78-I100 HydrophobicContact CE2-CG2 3.86Å; F78-I100 HydrophobicContact CG-CD1 3.79Å; F78-I100 HydrophobicContact CG-CG1 4.26Å; F78-I100 HydrophobicContact CG-CG2 4.11Å; F78-I100 HydrophobicContact CZ-CG2 4.36Å; L80-I100 HydrophobicContact CD1-CD1 4.38Å; L80-I100 HydrophobicContact CD2-CD1 3.82Å; L80-I100 HydrophobicContact CG-CD1 4.36Å; M96-I100 WeakPolarHBondContact O-CG1 3.32Å; M96-I100 PolarHBondContact O-N 2.9Å; M96-I100 VanDerWaalsContact O-N 3.09Å; R97-I100 WeakPolarHBondContact O-CA 3.42Å; R97-I100 WeakPolarHBondContact O-CB 3.41Å; R97-I100 PolarHBondContact O-N 2.96Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 2.89Å; I100-V103 PolarHBondContact O-N 2.97Å; I100-K104 HydrophobicContact CG2-CG 4.25Å; I100-K104 WeakPolarHBondContact O-CB 3.47Å; I100-K104 WeakPolarHBondContact O-CG 3.44Å; I100-K104 PolarHBondContact O-N 2.96Å; I100-V109 HydrophobicContact CG2-CG1 3.73Å
101I93Very high90.6Very high71 Ų7178 Ų7836%0.36435%0.353SS..Hα-helixtrans-60.2-45.4-178.5-59.5-53.4000110.6R97 D98 V103 K104 R105 V109R97-I101 WeakPolarHBondContact O-CG1 3.39Å; R97-I101 PolarHBondContact O-N 2.88Å; D98-I101 PolarHBondContact O-N 2.89Å; I101-V103 PolarHBondContact O-N 2.91Å; I101-K104 PolarHBondContact O-N 3.3Å; I101-R105 PolarHBondContact O-N 3.44Å; I101-V109 HydrophobicContact CD1-CB 4.25Å; I101-V109 HydrophobicContact CD1-CG2 4.07Å
102R92Very high90.7Very high207 Ų20773 Ų7378%0.78133%0.33SS*.Hα-helixtrans-58.8-44.4178.5179.8-178172.2-164-3.5112.9D98 Q99 I100D98-R102 VanDerWaalsContact O-CB 3.29Å; D98-R102 WeakPolarHBondContact O-CB 3.37Å; D98-R102 PolarHBondContact O-N 3.42Å; Q99-R102 PolarHBondContact O-N 3.03Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 2.89Å
103V92.6Very high90.9Very high35 Ų3570.5 Ų70.521%0.21232%0.317CS..Hα-helixtrans-75.6-39.2-177.7172.10000111.2D69 I72 K73 Q99 I100 I101D69-V103 HydrophobicContact CB-CG2 4.42Å; I72-V103 HydrophobicContact CB-CB 4.33Å; I72-V103 HydrophobicContact CB-CG1 4.05Å; I72-V103 HydrophobicContact CG2-CB 3.58Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.28Å; K73-V103 HydrophobicContact CB-CG1 4.14Å; Q99-V103 HydrophobicContact CG-CG2 4.45Å; Q99-V103 WeakPolarHBondContact O-CG2 3.28Å; Q99-V103 PolarHBondContact O-N 3.44Å; I100-V103 PolarHBondContact O-N 2.97Å; I101-V103 PolarHBondContact O-N 2.91Å
104K91.6Very high91.1Very high29 Ų2970.5 Ų70.513%0.12632%0.317CS..Hα-helixtrans-72.2-37.2-177.4-77.9-54.1-162.5-171.70114.2I72 K73 G75 F78 I100 I101 Y106 V109I72-K104 HydrophobicContact CG2-CG 4.32Å; I72-K104 WeakPolarHBondContact O-CE 3.48Å; I72-K104 PolarHBondContact O-NZ 3.47Å; K73-K104 PolarHBondContact O-NZ 3.03Å; G75-K104 WeakPolarHBondContact O-CE 3.33Å; G75-K104 PolarHBondContact O-NZ 2.86Å; F78-K104 HydrophobicContact CE2-CG 4.32Å; I100-K104 HydrophobicContact CG2-CG 4.25Å; I100-K104 WeakPolarHBondContact O-CB 3.47Å; I100-K104 WeakPolarHBondContact O-CG 3.44Å; I100-K104 PolarHBondContact O-N 2.96Å; I101-K104 PolarHBondContact O-N 3.3Å; K104-Y106 HydrophobicContact CB-CD2 3.94Å; K104-Y106 HydrophobicContact CD-CD2 4.12Å; K104-Y106 HydrophobicContact CD-CE2 4.16Å; K104-Y106 HydrophobicContact CG-CD2 4.49Å; K104-Y106 VanDerWaalsContact O-CD2 3.3Å; K104-Y106 WeakPolarHBondContact O-CD2 3.21Å; K104-Y106 PolarHBondContact O-N 2.91Å; K104-Y106 VanDerWaalsContact O-N 3.08Å; K104-V109 HydrophobicContact CB-CG2 3.64Å; K104-V109 HydrophobicContact CG-CG1 4.09Å; K104-V109 HydrophobicContact CG-CG2 3.93Å
105R83.8Confident91.3Very high227 Ų22766.2 Ų66.286%0.85730%0.298SS*.  trans57.616.6-177.9-48.5179.7179.2-171.1-1.5114.5I101I101-R105 PolarHBondContact O-N 3.44Å
106Y74.1Confident91.5Very high160 Ų16062.5 Ų62.563%0.62727%0.274SS*.  trans-99.7149.9177.2-61-57.1000110.4K104K104-Y106 HydrophobicContact CB-CD2 3.94Å; K104-Y106 HydrophobicContact CD-CD2 4.12Å; K104-Y106 HydrophobicContact CD-CE2 4.16Å; K104-Y106 HydrophobicContact CG-CD2 4.49Å; K104-Y106 VanDerWaalsContact O-CD2 3.3Å; K104-Y106 WeakPolarHBondContact O-CD2 3.21Å; K104-Y106 PolarHBondContact O-N 2.91Å; K104-Y106 VanDerWaalsContact O-N 3.08Å
107E66.8Low91.8Very high192 Ų19264.5 Ų64.590%0.89728%0.282SS*.SBendtrans-69.9-33.8177.4-67.8-171.6166.800112.7
108K82.9Confident92Very high128 Ų12863.4 Ų63.456%0.55728%0.281SS*.  trans-124.4103179.8-66.2174.7-174.8163.30110.1D171K108-D171 IonicContact NZ-OD1 3.79Å; K108-D171 PolarHBondContact NZ-OD1 2.83Å; K108-D171 IonicContact NZ-OD2 2.65Å; K108-D171 PolarHBondContact NZ-OD2 2.87Å
109V92.3Very high92.2Very high24 Ų2461.6 Ų61.615%0.14527%0.272CS..  trans-103124.2173.7-177.10000108.7F78 I100 I101 K104 V111F78-V109 HydrophobicContact CD2-CG1 3.6Å; F78-V109 HydrophobicContact CE2-CG1 3.66Å; I100-V109 HydrophobicContact CG2-CG1 3.73Å; I101-V109 HydrophobicContact CD1-CB 4.25Å; I101-V109 HydrophobicContact CD1-CG2 4.07Å; K104-V109 HydrophobicContact CB-CG2 3.64Å; K104-V109 HydrophobicContact CG-CG1 4.09Å; K104-V109 HydrophobicContact CG-CG2 3.93Å; V109-V111 HydrophobicContact CB-CG2 4.44Å; V109-V111 HydrophobicContact CG1-CG2 4.13Å; V109-V111 PolarHBondContact O-N 3.3Å; V109-V111 VanDerWaalsContact O-N 3.09Å
110P96.5Very high92.5Very high16 Ų1661.7 Ų61.710%0.10427%0.274CS..  trans-61.7112175.7-24.134.9000111.1Q76 G77 F78 I160 Q163 M164 A167Q76-P110 WeakPolarHBondContact O-CD 3.26Å; Q76-P110 WeakPolarHBondContact O-CG 3.32Å; G77-P110 WeakPolarHBondContact CA-O 3.29Å; F78-P110 PolarHBondContact N-O 3.42Å; P110-I160 HydrophobicContact CB-CD1 4.42Å; P110-Q163 HydrophobicContact CB-CB 4.03Å; P110-M164 HydrophobicContact CB-CG 3.74Å; P110-M164 HydrophobicContact CG-CB 4.38Å; P110-M164 HydrophobicContact CG-CG 3.84Å; P110-A167 HydrophobicContact CG-CB 3.64Å
111V97.1Very high92.6Very high9 Ų966.8 Ų66.86%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-134.4142.9-179.8177.70000108.5F78 L80 V109 C140 P141F78-V111 HydrophobicContact CB-CG2 4.26Å; F78-V111 CarbonylContact O-C 3.58Å; F78-V111 VanDerWaalsContact O-CA 3.28Å; F78-V111 WeakPolarHBondContact O-CA 3.41Å; L80-V111 HydrophobicContact CD1-CG1 3.64Å; L80-V111 HydrophobicContact CG-CG1 4.04Å; V109-V111 HydrophobicContact CB-CG2 4.44Å; V109-V111 HydrophobicContact CG1-CG2 4.13Å; V109-V111 PolarHBondContact O-N 3.3Å; V109-V111 VanDerWaalsContact O-N 3.09Å; V111-C140 WeakPolarHBondContact O-CB 3.25Å; V111-P141 WeakPolarHBondContact O-CD 3.46Å
112I98.5Very high92.8Very high0 Ų069 Ų690%032%0.319CS..EExtended strand (participates in β ladder)trans-126.9134.2165.8-62.4177.2000108.5F78 L80 V114 P141 M143 L156 E159 I160 Q163F78-I112 PolarHBondContact O-N 3.01Å; L80-I112 PolarHBondContact N-O 3.29Å; I112-V114 HydrophobicContact CG2-CG2 3.91Å; I112-P141 HydrophobicContact CG1-CB 4.26Å; I112-P141 HydrophobicContact CG1-CG 4.22Å; I112-P141 HydrophobicContact CG2-CB 4.37Å; I112-M143 HydrophobicContact CG2-CG 4.39Å; I112-M143 HydrophobicContact CG2-SD 4.35Å; I112-L156 HydrophobicContact CB-CD1 4.46Å; I112-L156 HydrophobicContact CD1-CD1 4.39Å; I112-L156 HydrophobicContact CG2-CD1 3.9Å; I112-E159 HydrophobicContact CD1-CB 3.79Å; I112-E159 HydrophobicContact CD1-CG 3.59Å; I112-I160 HydrophobicContact CD1-CB 3.78Å; I112-I160 HydrophobicContact CD1-CD1 4.02Å; I112-I160 HydrophobicContact CD1-CG1 4.5Å; I112-I160 VanDerWaalsContact CD1-N 3.31Å; I112-I160 HydrophobicContact CG1-CD1 3.91Å; I112-Q163 HydrophobicContact CD1-CG 4.32Å; I112-Q163 HydrophobicContact CG1-CG 4.25Å
113L98.8Very high93.1Very high0 Ų064.6 Ų64.60%031%0.307CS..EExtended strand (participates in β ladder)trans-90.4130.7171.7178.862.1000109.9L80 Y82 I93 G131 L134 A135 W138 P141 F142 M143L80-L113 HydrophobicContact CB-CD1 4.45Å; Y82-L113 HydrophobicContact CD1-CD1 3.79Å; Y82-L113 HydrophobicContact CE1-CD1 3.81Å; Y82-L113 HydrophobicContact CE1-CD2 4.46Å; Y82-L113 HydrophobicContact CE1-CG 4.04Å; I93-L113 HydrophobicContact CG2-CD1 4.09Å; L113-G131 WeakPolarHBondContact CD2-O 3.29Å; L113-L134 HydrophobicContact CD2-CB 4.08Å; L113-L134 HydrophobicContact CD2-CD2 3.99Å; L113-L134 HydrophobicContact CD2-CG 4.09Å; L113-A135 HydrophobicContact CB-CB 4.43Å; L113-A135 HydrophobicContact CD2-CB 4.15Å; L113-W138 HydrophobicContact CB-CZ3 4.39Å; L113-W138 HydrophobicContact CD1-CH2 4.37Å; L113-W138 HydrophobicContact CD1-CZ3 3.92Å; L113-W138 HydrophobicContact CD2-CZ3 4.28Å; L113-W138 HydrophobicContact CG-CZ3 4.42Å; L113-P141 PolarHBondContact N-O 3.48Å; L113-F142 HydrophobicContact CB-CD2 4.27Å; L113-F142 HydrophobicContact CD2-CD2 4.11Å; L113-F142 HydrophobicContact CG-CD2 3.95Å; L113-F142 HydrophobicContact CG-CE2 4.41Å; L113-F142 WeakPolarHBondContact O-CA 3.31Å; L113-F142 WeakPolarHBondContact O-CD2 3.18Å; L113-M143 PolarHBondContact O-N 2.81Å
114V98.8Very high93.4Very high0 Ų065.5 Ų65.50%031%0.307CS..EExtended strand (participates in β ladder)trans-128.7119-174.1-177.80000111.7L19 I79 L80 V81 Y82 I112 M143 T145 L156L19-V114 HydrophobicContact CD1-CG1 4.38Å; I79-V114 HydrophobicContact CG2-CB 4.46Å; I79-V114 HydrophobicContact CG2-CG2 3.65Å; L80-V114 PolarHBondContact O-N 2.83Å; V81-V114 WeakPolarHBondContact CA-O 3.47Å; V81-V114 HydrophobicContact CG1-CG1 4.44Å; V81-V114 HydrophobicContact CG2-CB 4.33Å; Y82-V114 WeakPolarHBondContact CD1-O 3.33Å; Y82-V114 WeakPolarHBondContact CE1-O 3.4Å; Y82-V114 PolarHBondContact N-O 3.4Å; I112-V114 HydrophobicContact CG2-CG2 3.91Å; V114-M143 CarbonylContact C-O 3.6Å; V114-M143 VanDerWaalsContact CA-O 3.3Å; V114-M143 WeakPolarHBondContact CA-O 3.37Å; V114-T145 HydrophobicContact CG1-CG2 3.73Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.34Å; V114-L156 HydrophobicContact CG1-CD2 4.27Å; V114-L156 HydrophobicContact CG2-CD1 3.42Å; V114-L156 VanDerWaalsContact CG2-CD1 3.42Å; V114-L156 HydrophobicContact CG2-CD2 4.02Å; V114-L156 HydrophobicContact CG2-CG 4.37Å
115G98.8Very high93.7Very high0 Ų069.4 Ų69.40%033%0.326CS..EExtended strand (participates in β ladder)trans-91.7100.8167.300000110.5M143 E144 T145G115-M143 PolarHBondContact N-O 3.45Å; G115-E144 CarbonylContact O-C 3.56Å; G115-E144 WeakPolarHBondContact O-CA 3.44Å; G115-T145 PolarHBondContact O-N 3.43Å
116N98.7Very high94.4Very high3 Ų358.6 Ų58.62%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-89.3163.4-177.9-168.235.6000112.5V14 L19 V81 Y82 L84 T145 A147V14-N116 PolarHBondContact O-ND2 3.4Å; L19-N116 HydrophobicContact CD1-CB 4.31Å; V81-N116 HydrophobicContact CG1-CB 3.77Å; Y82-N116 WeakPolarHBondContact O-CB 3.34Å; Y82-N116 PolarHBondContact O-N 3.16Å; L84-N116 WeakPolarHBondContact CG-O 3.46Å; L84-N116 PolarHBondContact N-O 2.72Å; N116-T145 CarbonylContact C-O 3.42Å; N116-T145 WeakPolarHBondContact CA-O 3.32Å; N116-T145 PolarHBondContact OD1-O 2.59Å; N116-T145 PolarHBondContact OD1-OG1 3.32Å; N116-A147 PolarHBondContact OD1-N 2.91Å
117K98.1Very high95.6Very high56 Ų5653.4 Ų53.424%0.24327%0.272CS..  trans71.939-178.9-45.4-175.7-169.3171.80113.8G13 S83 V85 D119 L120 T145G13-K117 WeakPolarHBondContact O-CE 3.47Å; G13-K117 PolarHBondContact O-NZ 3.01Å; S83-K117 WeakPolarHBondContact OG-CD 3.16Å; V85-K117 HydrophobicContact CG2-CD 4.09Å; K117-D119 WeakPolarHBondContact CA-OD1 3.31Å; K117-D119 PolarHBondContact O-N 3.38Å; K117-D119 VanDerWaalsContact O-N 3.12Å; K117-L120 HydrophobicContact CB-CD1 4.13Å; K117-L120 HydrophobicContact CB-CG 4.39Å; K117-L120 HydrophobicContact CD-CD1 4.12Å; K117-L120 PolarHBondContact O-N 2.97Å; K117-T145 PolarHBondContact N-O 2.9Å
118V98.4Very high97.1Very high33 Ų3346.8 Ų46.820%0.225%0.247CC..G310 helixtrans-61.2-17.5174.5730000113L84 L120 E144 T145 T151L84-V118 HydrophobicContact CD1-CB 3.79Å; L84-V118 HydrophobicContact CD1-CG2 4.11Å; V118-L120 PolarHBondContact O-N 3.09Å; V118-E144 HydrophobicContact CB-CB 4.31Å; V118-E144 HydrophobicContact CG2-CB 4.23Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.4Å; V118-T145 PolarHBondContact N-O 3.34Å; V118-T145 VanDerWaalsContact N-O 3.08Å; V118-T151 HydrophobicContact CG1-CG2 4.25Å
119D98Very high97.8Very high60 Ų6043 Ų4332%0.32125%0.245SC..G310 helixtrans-66.8-15171.958.8-72.6000114.1K117 S146 K148K117-D119 WeakPolarHBondContact CA-OD1 3.31Å; K117-D119 PolarHBondContact O-N 3.38Å; K117-D119 VanDerWaalsContact O-N 3.12Å; D119-S146 VanDerWaalsContact CG-OG 3.25Å; D119-S146 VanDerWaalsContact OD1-CB 3.23Å; D119-S146 WeakPolarHBondContact OD1-CB 3.21Å; D119-S146 PolarHBondContact OD1-OG 3.27Å; D119-K148 VanDerWaalsContact OD2-CD 3.24Å; D119-K148 WeakPolarHBondContact OD2-CD 3.22Å
120L97.2Very high98.1Very high46 Ų4645.5 Ų45.524%0.24126%0.255CS..G310 helixtrans-101.444.3179.3-58.4-179.8000112.2V85 K117 V118 S122 E123 R124V85-L120 HydrophobicContact CG1-CB 3.57Å; V85-L120 HydrophobicContact CG1-CD1 4.17Å; V85-L120 HydrophobicContact CG2-CD1 4.08Å; K117-L120 HydrophobicContact CB-CD1 4.13Å; K117-L120 HydrophobicContact CB-CG 4.39Å; K117-L120 HydrophobicContact CD-CD1 4.12Å; K117-L120 PolarHBondContact O-N 2.97Å; V118-L120 PolarHBondContact O-N 3.09Å; L120-S122 PolarHBondContact O-N 3.21Å; L120-S122 VanDerWaalsContact O-N 3.14Å; L120-E123 HydrophobicContact CB-CB 4.46Å; L120-E123 PolarHBondContact O-N 3.47Å; L120-R124 PolarHBondContact O-N 3.29Å
121E96.9Very high98.2Very high107 Ų10744.8 Ų44.850%0.525%0.25SC..G310 helixtrans-55.4-34.3-174.2-169.560.1-148.700113.8E123 R124E121-E123 PolarHBondContact O-N 3.14Å; E121-R124 VanDerWaalsContact CD-NE 3.25Å; E121-R124 VanDerWaalsContact O-CB 3.28Å; E121-R124 WeakPolarHBondContact O-CB 3.49Å; E121-R124 PolarHBondContact O-N 3.24Å; E121-R124 IonicContact OE1-CZ 3.69Å; E121-R124 IonicContact OE1-NE 3.03Å; E121-R124 PolarHBondContact OE1-NE 2.86Å; E121-R124 IonicContact OE1-NH2 3.03Å; E121-R124 IonicContact OE2-CZ 3.31Å; E121-R124 VanDerWaalsContact OE2-CZ 3.31Å; E121-R124 IonicContact OE2-NE 2.92Å; E121-R124 PolarHBondContact OE2-NE 2.98Å; E121-R124 IonicContact OE2-NH2 2.72Å; E121-R124 PolarHBondContact OE2-NH2 3.42Å
122S97.8Very high98.2Very high118 Ų11848.2 Ų48.283%0.82527%0.265SS*.G310 helixtrans-68.9-18.3177.853.80000114.4L120L120-S122 PolarHBondContact O-N 3.21Å; L120-S122 VanDerWaalsContact O-N 3.14Å
123E98.1Very high98.3Very high113 Ų11350.8 Ų50.853%0.52829%0.287SS..G310 helixtrans-106.38.8180-64.6174.6-12300111.3V85 L120 E121 E125V85-E123 WeakPolarHBondContact CA-O 3.46Å; V85-E123 HydrophobicContact CB-CB 4.13Å; V85-E123 WeakPolarHBondContact CB-O 3.3Å; V85-E123 HydrophobicContact CG1-CB 3.64Å; V85-E123 WeakPolarHBondContact CG1-O 3.38Å; L120-E123 HydrophobicContact CB-CB 4.46Å; L120-E123 PolarHBondContact O-N 3.47Å; E121-E123 PolarHBondContact O-N 3.14Å; E123-E125 PolarHBondContact O-N 3.06Å
124R98.5Very high98.2Very high54 Ų5451.2 Ų51.220%0.20429%0.289CS..  trans-60.4124.5-176-179.1-176.7-74.5-92.56.9111L120 E121 V126 S128 E144L120-R124 PolarHBondContact O-N 3.29Å; E121-R124 VanDerWaalsContact CD-NE 3.25Å; E121-R124 VanDerWaalsContact O-CB 3.28Å; E121-R124 WeakPolarHBondContact O-CB 3.49Å; E121-R124 PolarHBondContact O-N 3.24Å; E121-R124 IonicContact OE1-CZ 3.69Å; E121-R124 IonicContact OE1-NE 3.03Å; E121-R124 PolarHBondContact OE1-NE 2.86Å; E121-R124 IonicContact OE1-NH2 3.03Å; E121-R124 IonicContact OE2-CZ 3.31Å; E121-R124 VanDerWaalsContact OE2-CZ 3.31Å; E121-R124 IonicContact OE2-NE 2.92Å; E121-R124 PolarHBondContact OE2-NE 2.98Å; E121-R124 IonicContact OE2-NH2 2.72Å; E121-R124 PolarHBondContact OE2-NH2 3.42Å; R124-V126 VanDerWaalsContact CD-O 3.32Å; R124-V126 WeakPolarHBondContact CD-O 3.04Å; R124-V126 WeakPolarHBondContact CG-O 3.33Å; R124-V126 PolarHBondContact NH1-O 2.89Å; R124-S128 PolarHBondContact NH1-OG 3.09Å; R124-E144 IonicContact CZ-OE1 3.63Å; R124-E144 IonicContact CZ-OE2 3.62Å; R124-E144 IonicContact NH1-OE1 3.18Å; R124-E144 PolarHBondContact NH1-OE1 3.08Å; R124-E144 IonicContact NH1-OE2 2.72Å; R124-E144 IonicContact NH2-OE1 3.65Å; R124-E144 IonicContact NH2-OE2 3.46Å; R124-E144 PolarHBondContact NH2-OE2 2.72Å
125E98.4Very high98.2Very high112 Ų11251.2 Ų51.252%0.52329%0.289SS..  trans-104-32.3172.9-62.6-174.7-179.800111.6L84 N86 Q87 E123L84-E125 PolarHBondContact O-N 3.25Å; N86-E125 WeakPolarHBondContact CA-OE2 3.32Å; Q87-E125 HydrophobicContact CB-CB 4.32Å; Q87-E125 PolarHBondContact N-OE2 2.9Å; Q87-E125 PolarHBondContact OE1-O 3.49Å; E123-E125 PolarHBondContact O-N 3.06Å
126V98.4Very high98.2Very high0 Ų057.5 Ų57.50%032%0.318CS..SBendtrans-106.2120.5179.6-172.90000110Y82 L84 F90 R124 E130Y82-V126 HydrophobicContact CD2-CG2 4.27Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.68Å; Y82-V126 HydrophobicContact CE2-CG2 4Å; L84-V126 PolarHBondContact O-N 3.13Å; F90-V126 HydrophobicContact CB-CG2 3.76Å; F90-V126 HydrophobicContact CD1-CG1 4.15Å; F90-V126 HydrophobicContact CD1-CG2 4.46Å; F90-V126 HydrophobicContact CD2-CG1 4.1Å; F90-V126 HydrophobicContact CE1-CG1 4.33Å; F90-V126 HydrophobicContact CE2-CG1 4.28Å; F90-V126 HydrophobicContact CG-CG1 4.02Å; F90-V126 HydrophobicContact CG-CG2 4.11Å; F90-V126 HydrophobicContact CZ-CG1 4.39Å; R124-V126 VanDerWaalsContact CD-O 3.32Å; R124-V126 WeakPolarHBondContact CD-O 3.04Å; R124-V126 WeakPolarHBondContact CG-O 3.33Å; R124-V126 PolarHBondContact NH1-O 2.89Å; V126-E130 HydrophobicContact CG1-CB 4.05Å
127S98.4Very high98.1Very high50 Ų5063.4 Ų63.435%0.3535%0.346SS..  trans-71.8151.8176.368.20000112G129 E130 G131S127-G129 PolarHBondContact O-N 3.46Å; S127-E130 WeakPolarHBondContact CB-OE2 3.25Å; S127-E130 PolarHBondContact N-OE2 3.42Å; S127-E130 PolarHBondContact O-N 3.15Å; S127-E130 VanDerWaalsContact O-N 3.13Å; S127-E130 VanDerWaalsContact OG-CG 3.32Å; S127-E130 WeakPolarHBondContact OG-CG 3.39Å; S127-E130 PolarHBondContact OG-N 3.12Å; S127-E130 PolarHBondContact OG-OE2 3.17Å; S127-G131 PolarHBondContact O-N 3.42Å
128S97.6Very high97.9Very high54 Ų5461.7 Ų61.738%0.37834%0.338SS..Hα-helixtrans-59.3-30.3173.6-49.10000112.3R124 G131 Q132 E144R124-S128 PolarHBondContact NH1-OG 3.09Å; S128-G131 PolarHBondContact O-N 3.4Å; S128-Q132 VanDerWaalsContact O-CB 3.27Å; S128-Q132 WeakPolarHBondContact O-CB 2.93Å; S128-Q132 PolarHBondContact O-N 3.1Å; S128-E144 VanDerWaalsContact CA-OE1 3.31Å; S128-E144 WeakPolarHBondContact CA-OE1 3.5Å; S128-E144 VanDerWaalsContact CB-OE1 3.26Å; S128-E144 WeakPolarHBondContact CB-OE1 3.3Å; S128-E144 PolarHBondContact OG-OE1 3.03Å; S128-E144 PolarHBondContact OG-OE2 3.35Å
129G98.6Very high97.8Very high49 Ų4963.6 Ų63.651%0.50536%0.364SS..Hα-helixtrans-65.9-37.8176.100000113.3S127 A133S127-G129 PolarHBondContact O-N 3.46Å; G129-A133 VanDerWaalsContact O-CB 3.25Å; G129-A133 WeakPolarHBondContact O-CB 3.4Å; G129-A133 PolarHBondContact O-N 2.89Å
130E98.3Very high97.7Very high76 Ų7661.9 Ų61.936%0.35536%0.356SS..Hα-helixtrans-66-44174.9-74.8164.9102.100111.8F90 V126 S127 L134F90-E130 HydrophobicContact CE1-CB 4.23Å; F90-E130 HydrophobicContact CZ-CB 4.14Å; V126-E130 HydrophobicContact CG1-CB 4.05Å; S127-E130 WeakPolarHBondContact CB-OE2 3.25Å; S127-E130 PolarHBondContact N-OE2 3.42Å; S127-E130 PolarHBondContact O-N 3.15Å; S127-E130 VanDerWaalsContact O-N 3.13Å; S127-E130 VanDerWaalsContact OG-CG 3.32Å; S127-E130 WeakPolarHBondContact OG-CG 3.39Å; S127-E130 PolarHBondContact OG-N 3.12Å; S127-E130 PolarHBondContact OG-OE2 3.17Å; E130-L134 WeakPolarHBondContact O-CB 3.44Å; E130-L134 PolarHBondContact O-N 3.23Å; E130-L134 VanDerWaalsContact O-N 3.08Å
131G98.4Very high97.8Very high0 Ų061.1 Ų61.10%035%0.354CS..Hα-helixtrans-62.1-46.3175.800000112.2L113 S127 S128 L134 A135L113-G131 WeakPolarHBondContact CD2-O 3.29Å; S127-G131 PolarHBondContact O-N 3.42Å; S128-G131 PolarHBondContact O-N 3.4Å; G131-L134 PolarHBondContact O-N 3.33Å; G131-A135 PolarHBondContact O-N 3.24Å
132Q98.6Very high97.9Very high82 Ų8257.8 Ų57.838%0.38334%0.338SS..Hα-helixtrans-61.8-48.7177.8-177.561.83400112S128 L134 A135 E136 F142S128-Q132 VanDerWaalsContact O-CB 3.27Å; S128-Q132 WeakPolarHBondContact O-CB 2.93Å; S128-Q132 PolarHBondContact O-N 3.1Å; Q132-L134 VanDerWaalsContact C-N 3.27Å; Q132-L134 PolarHBondContact O-N 3.41Å; Q132-A135 PolarHBondContact O-N 2.72Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.5Å; Q132-E136 PolarHBondContact NE2-OE1 2.96Å; Q132-E136 WeakPolarHBondContact O-CG 2.85Å; Q132-E136 PolarHBondContact O-N 3.29Å; Q132-F142 HydrophobicContact CB-CD1 4.18Å
133A98.6Very high97.9Very high54 Ų5453 Ų5345%0.44630%0.303SS..Hα-helixtrans-60.6-38179.100000112G129 E137G129-A133 VanDerWaalsContact O-CB 3.25Å; G129-A133 WeakPolarHBondContact O-CB 3.4Å; G129-A133 PolarHBondContact O-N 2.89Å; A133-E137 PolarHBondContact O-N 3.45Å
134L98.3Very high97.9Very high8 Ų849.2 Ų49.24%0.04229%0.285CS..Hα-helixtrans-68.2-40.3176.9-174.860.6000112.4F90 K94 L113 E130 G131 Q132 E137 W138F90-L134 HydrophobicContact CD2-CD2 4.33Å; F90-L134 HydrophobicContact CE1-CD2 4.43Å; F90-L134 HydrophobicContact CE2-CB 4.4Å; F90-L134 HydrophobicContact CE2-CD2 3.47Å; F90-L134 VanDerWaalsContact CE2-CD2 3.47Å; F90-L134 HydrophobicContact CZ-CB 4.08Å; F90-L134 HydrophobicContact CZ-CD2 3.53Å; F90-L134 HydrophobicContact CZ-CG 4.43Å; K94-L134 HydrophobicContact CG-CD1 4.44Å; L113-L134 HydrophobicContact CD2-CB 4.08Å; L113-L134 HydrophobicContact CD2-CD2 3.99Å; L113-L134 HydrophobicContact CD2-CG 4.09Å; E130-L134 WeakPolarHBondContact O-CB 3.44Å; E130-L134 PolarHBondContact O-N 3.23Å; E130-L134 VanDerWaalsContact O-N 3.08Å; G131-L134 PolarHBondContact O-N 3.33Å; Q132-L134 VanDerWaalsContact C-N 3.27Å; Q132-L134 PolarHBondContact O-N 3.41Å; L134-E137 WeakPolarHBondContact O-CB 3.04Å; L134-E137 PolarHBondContact O-N 3.14Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 VanDerWaalsContact CD1-CE2 3.47Å; L134-W138 HydrophobicContact CD1-CH2 4.4Å; L134-W138 HydrophobicContact CD1-CZ2 3.53Å; L134-W138 HydrophobicContact CD2-CH2 3.66Å; L134-W138 HydrophobicContact CD2-CZ2 3.58Å; L134-W138 HydrophobicContact CD2-CZ3 4.44Å; L134-W138 HydrophobicContact CG-CD2 4.18Å; L134-W138 HydrophobicContact CG-CH2 3.95Å; L134-W138 HydrophobicContact CG-CZ2 3.55Å; L134-W138 HydrophobicContact CG-CZ3 4.48Å; L134-W138 VanDerWaalsContact O-CD1 3.26Å; L134-W138 PolarHBondContact O-N 2.96Å; L134-W138 VanDerWaalsContact O-N 3.07Å
135A98.1Very high97.9Very high1 Ų146.7 Ų46.71%0.00828%0.276CS..Hα-helixtrans-67.9-36.5177.100000112.5L113 G131 Q132 W138 G139 C140 F142L113-A135 HydrophobicContact CB-CB 4.43Å; L113-A135 HydrophobicContact CD2-CB 4.15Å; G131-A135 PolarHBondContact O-N 3.24Å; Q132-A135 PolarHBondContact O-N 2.72Å; A135-W138 CarbonylContact O-C 3.47Å; A135-W138 WeakPolarHBondContact O-CA 3.13Å; A135-W138 PolarHBondContact O-N 2.96Å; A135-W138 VanDerWaalsContact O-N 3.1Å; A135-G139 PolarHBondContact O-N 3.16Å; A135-C140 WeakPolarHBondContact CB-O 3.26Å; A135-C140 PolarHBondContact O-N 3.14Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.41Å
136E98Very high97.9Very high132 Ų13241.3 Ų41.362%0.61725%0.251SS*.Hα-helixtrans-62.8-44.7171.7-74.6172.8-168.300111.8Q132 W138 G139Q132-E136 WeakPolarHBondContact CG-OE1 3.5Å; Q132-E136 PolarHBondContact NE2-OE1 2.96Å; Q132-E136 WeakPolarHBondContact O-CG 2.85Å; Q132-E136 PolarHBondContact O-N 3.29Å; E136-W138 PolarHBondContact O-N 2.94Å; E136-G139 PolarHBondContact O-N 3.35Å
137E96.8Very high97.9Very high126 Ų12641.5 Ų41.559%0.58925%0.252SS*.Hα-helixtrans-55.5-34.2171.7-172.3-165.2141.100111.1K94 A133 L134K94-E137 IonicContact NZ-OE2 2.84Å; A133-E137 PolarHBondContact O-N 3.45Å; L134-E137 WeakPolarHBondContact O-CB 3.04Å; L134-E137 PolarHBondContact O-N 3.14Å
138W95.2Very high97.8Very high21 Ų2144.5 Ų44.58%0.0826%0.259CS..Hα-helixtrans-89.3-13.2-176.8-66.54.5000114.7L80 I93 K94 R97 L113 L134 A135 E136 C140L80-W138 HydrophobicContact CD1-CH2 4.49Å; L80-W138 HydrophobicContact CD1-CZ3 3.83Å; I93-W138 HydrophobicContact CB-CH2 4.22Å; I93-W138 HydrophobicContact CG2-CH2 3.5Å; I93-W138 VanDerWaalsContact CG2-CH2 3.5Å; I93-W138 HydrophobicContact CG2-CZ3 3.87Å; K94-W138 HydrophobicContact CG-CZ2 3.76Å; R97-W138 HydrophobicContact CB-CH2 4.25Å; R97-W138 HydrophobicContact CB-CZ2 4.36Å; R97-W138 HydrophobicContact CB-CZ3 4.4Å; R97-W138 HydrophobicContact CG-CD2 4.32Å; R97-W138 HydrophobicContact CG-CE3 4.26Å; R97-W138 HydrophobicContact CG-CZ3 4.4Å; R97-W138 VanDerWaalsContact NH2-CA 3.26Å; R97-W138 PolarHBondContact NH2-O 3.36Å; L113-W138 HydrophobicContact CB-CZ3 4.39Å; L113-W138 HydrophobicContact CD1-CH2 4.37Å; L113-W138 HydrophobicContact CD1-CZ3 3.92Å; L113-W138 HydrophobicContact CD2-CZ3 4.28Å; L113-W138 HydrophobicContact CG-CZ3 4.42Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 VanDerWaalsContact CD1-CE2 3.47Å; L134-W138 HydrophobicContact CD1-CH2 4.4Å; L134-W138 HydrophobicContact CD1-CZ2 3.53Å; L134-W138 HydrophobicContact CD2-CH2 3.66Å; L134-W138 HydrophobicContact CD2-CZ2 3.58Å; L134-W138 HydrophobicContact CD2-CZ3 4.44Å; L134-W138 HydrophobicContact CG-CD2 4.18Å; L134-W138 HydrophobicContact CG-CH2 3.95Å; L134-W138 HydrophobicContact CG-CZ2 3.55Å; L134-W138 HydrophobicContact CG-CZ3 4.48Å; L134-W138 VanDerWaalsContact O-CD1 3.26Å; L134-W138 PolarHBondContact O-N 2.96Å; L134-W138 VanDerWaalsContact O-N 3.07Å; A135-W138 CarbonylContact O-C 3.47Å; A135-W138 WeakPolarHBondContact O-CA 3.13Å; A135-W138 PolarHBondContact O-N 2.96Å; A135-W138 VanDerWaalsContact O-N 3.1Å; E136-W138 PolarHBondContact O-N 2.94Å; W138-C140 VanDerWaalsContact C-N 3.31Å
139G95.3Very high97.7Very high72 Ų7245.1 Ų45.174%0.74226%0.263SS*.THydrogen-bonded Turntrans63.635-172.300000112.9A135 E136A135-G139 PolarHBondContact O-N 3.16Å; E136-G139 PolarHBondContact O-N 3.35Å
140C96.7Very high97.6Very high24 Ų2446.9 Ų46.916%0.16226%0.257CS..SBendtrans-126.6162.4-179.5710000112.9V111 A135 W138V111-C140 WeakPolarHBondContact O-CB 3.25Å; A135-C140 WeakPolarHBondContact CB-O 3.26Å; A135-C140 PolarHBondContact O-N 3.14Å; W138-C140 VanDerWaalsContact C-N 3.31Å
141P98.3Very high97.6Very high31 Ų3146.1 Ų46.120%0.20126%0.257CS..  trans-65.4147173.1-20.733000112.8V111 I112 L113 E159 Q163V111-P141 WeakPolarHBondContact O-CD 3.46Å; I112-P141 HydrophobicContact CG1-CB 4.26Å; I112-P141 HydrophobicContact CG1-CG 4.22Å; I112-P141 HydrophobicContact CG2-CB 4.37Å; L113-P141 PolarHBondContact N-O 3.48Å; P141-E159 HydrophobicContact CB-CG 4.45Å; P141-E159 HydrophobicContact CG-CG 4.43Å; P141-Q163 HydrophobicContact CG-CG 4.02Å; P141-Q163 VanDerWaalsContact CG-NE2 3.34Å
142F98.7Very high97.6Very high36 Ų3650.4 Ų50.416%0.15828%0.278CS..EExtended strand (participates in β ladder)trans-117.1137.9170.5177.3-123.5000110.7Y82 L113 Q132 A135 E144Y82-F142 HydrophobicContact CE1-CE2 4.12Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.3Å; Y82-F142 WeakPolarHBondContact OH-CZ 3.38Å; L113-F142 HydrophobicContact CB-CD2 4.27Å; L113-F142 HydrophobicContact CD2-CD2 4.11Å; L113-F142 HydrophobicContact CG-CD2 3.95Å; L113-F142 HydrophobicContact CG-CE2 4.41Å; L113-F142 WeakPolarHBondContact O-CA 3.31Å; L113-F142 WeakPolarHBondContact O-CD2 3.18Å; Q132-F142 HydrophobicContact CB-CD1 4.18Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.41Å; F142-E144 HydrophobicContact CE1-CG 3.93Å; F142-E144 HydrophobicContact CE2-CG 4.44Å; F142-E144 HydrophobicContact CZ-CG 3.57Å
143M98.7Very high97.6Very high18 Ų1846.5 Ų46.59%0.08926%0.26CS..EExtended strand (participates in β ladder)trans-140.7138175.5-57.5178.978.700110.7I112 L113 V114 G115 T145 M152 E155 L156 E159I112-M143 HydrophobicContact CG2-CG 4.39Å; I112-M143 HydrophobicContact CG2-SD 4.35Å; L113-M143 PolarHBondContact O-N 2.81Å; V114-M143 CarbonylContact C-O 3.6Å; V114-M143 VanDerWaalsContact CA-O 3.3Å; V114-M143 WeakPolarHBondContact CA-O 3.37Å; G115-M143 PolarHBondContact N-O 3.45Å; M143-T145 HydrophobicContact CB-CG2 4.48Å; M143-M152 HydrophobicContact CE-CB 4.26Å; M143-M152 HydrophobicContact CE-CE 3.34Å; M143-E155 HydrophobicContact CE-CB 3.84Å; M143-E155 HydrophobicContact CE-CG 3.58Å; M143-L156 HydrophobicContact CE-CB 4.39Å; M143-L156 HydrophobicContact SD-CB 4.16Å; M143-L156 HydrophobicContact SD-CD1 4.1Å; M143-E159 HydrophobicContact SD-CB 4.3Å
144E98.8Very high97.6Very high34 Ų3447 Ų4716%0.15926%0.256CS..EExtended strand (participates in β ladder)trans-96.9131.1164.7-67.5-167.6172.200110.2L84 G115 V118 R124 S128 F142L84-E144 HydrophobicContact CD1-CB 4.43Å; L84-E144 HydrophobicContact CD1-CG 4.2Å; L84-E144 HydrophobicContact CD2-CG 4.43Å; G115-E144 CarbonylContact O-C 3.56Å; G115-E144 WeakPolarHBondContact O-CA 3.44Å; V118-E144 HydrophobicContact CB-CB 4.31Å; V118-E144 HydrophobicContact CG2-CB 4.23Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.4Å; R124-E144 IonicContact CZ-OE1 3.63Å; R124-E144 IonicContact CZ-OE2 3.62Å; R124-E144 IonicContact NH1-OE1 3.18Å; R124-E144 PolarHBondContact NH1-OE1 3.08Å; R124-E144 IonicContact NH1-OE2 2.72Å; R124-E144 IonicContact NH2-OE1 3.65Å; R124-E144 IonicContact NH2-OE2 3.46Å; R124-E144 PolarHBondContact NH2-OE2 2.72Å; S128-E144 VanDerWaalsContact CA-OE1 3.31Å; S128-E144 WeakPolarHBondContact CA-OE1 3.5Å; S128-E144 VanDerWaalsContact CB-OE1 3.26Å; S128-E144 WeakPolarHBondContact CB-OE1 3.3Å; S128-E144 PolarHBondContact OG-OE1 3.03Å; S128-E144 PolarHBondContact OG-OE2 3.35Å; F142-E144 HydrophobicContact CE1-CG 3.93Å; F142-E144 HydrophobicContact CE2-CG 4.44Å; F142-E144 HydrophobicContact CZ-CG 3.57Å
145T98.8Very high97.6Very high0 Ų050.2 Ų50.20%027%0.27CS..EExtended strand (participates in β ladder)trans-127.6159.6-173.263.60000111.9V114 G115 N116 K117 V118 M143 T151 M152 L156V114-T145 HydrophobicContact CG1-CG2 3.73Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.34Å; G115-T145 PolarHBondContact O-N 3.43Å; N116-T145 CarbonylContact C-O 3.42Å; N116-T145 WeakPolarHBondContact CA-O 3.32Å; N116-T145 PolarHBondContact OD1-O 2.59Å; N116-T145 PolarHBondContact OD1-OG1 3.32Å; K117-T145 PolarHBondContact N-O 2.9Å; V118-T145 PolarHBondContact N-O 3.34Å; V118-T145 VanDerWaalsContact N-O 3.08Å; M143-T145 HydrophobicContact CB-CG2 4.48Å; T145-T151 WeakPolarHBondContact CA-O 3.48Å; T145-M152 HydrophobicContact CG2-CB 4.05Å; T145-L156 HydrophobicContact CG2-CB 4.48Å; T145-L156 HydrophobicContact CG2-CD2 4.22Å
146S98.3Very high97.6Very high0 Ų050.1 Ų50.10%027%0.27CS..BIsolated β-bridgetrans-134.4116.4161.2173.60000109.8D119 K148 S149 K150 T151 V153D119-S146 VanDerWaalsContact CG-OG 3.25Å; D119-S146 VanDerWaalsContact OD1-CB 3.23Å; D119-S146 WeakPolarHBondContact OD1-CB 3.21Å; D119-S146 PolarHBondContact OD1-OG 3.27Å; S146-K148 PolarHBondContact O-N 3.16Å; S146-K148 PolarHBondContact OG-N 3.35Å; S146-K148 VanDerWaalsContact OG-N 3.12Å; S146-S149 WeakPolarHBondContact CB-OG 3.44Å; S146-S149 PolarHBondContact OG-N 3.39Å; S146-S149 VanDerWaalsContact OG-N 3.07Å; S146-S149 PolarHBondContact OG-OG 2.75Å; S146-K150 CarbonylContact O-C 3.59Å; S146-K150 VanDerWaalsContact O-CA 3.24Å; S146-K150 WeakPolarHBondContact O-CA 3.46Å; S146-K150 PolarHBondContact O-N 3.13Å; S146-T151 PolarHBondContact N-O 3.12Å; S146-T151 PolarHBondContact O-N 3.3Å; S146-V153 WeakPolarHBondContact O-CG2 3.46Å
147A97.3Very high97.6Very high3 Ų343.9 Ų43.93%0.02524%0.241CC..THydrogen-bonded Turntrans-60-34.2167.400000111.6A18 L19 Q22 F28 N116A18-A147 HydrophobicContact CB-CB 3.64Å; L19-A147 HydrophobicContact CD2-CB 3.95Å; L19-A147 HydrophobicContact CG-CB 4.2Å; Q22-A147 WeakPolarHBondContact CG-O 3.17Å; Q22-A147 PolarHBondContact NE2-O 3.43Å; F28-A147 HydrophobicContact CD2-CB 4.1Å; F28-A147 HydrophobicContact CE2-CB 4.08Å; N116-A147 PolarHBondContact OD1-N 2.91Å
148K96.4Very high97.7Very high113 Ų11338.6 Ų38.649%0.49122%0.218SC..THydrogen-bonded Turntrans-68.9-49.6-176.5-172.3-176.2-175.7178.20112.5F28 D119 S146F28-K148 HydrophobicContact CD1-CB 4.4Å; F28-K148 HydrophobicContact CD1-CG 4.08Å; F28-K148 HydrophobicContact CD2-CB 4.39Å; F28-K148 HydrophobicContact CE1-CB 4.15Å; F28-K148 HydrophobicContact CE1-CG 3.88Å; F28-K148 HydrophobicContact CE2-CB 4.16Å; F28-K148 HydrophobicContact CZ-CB 4.04Å; F28-K148 HydrophobicContact CZ-CG 4.25Å; D119-K148 VanDerWaalsContact OD2-CD 3.24Å; D119-K148 WeakPolarHBondContact OD2-CD 3.22Å; S146-K148 PolarHBondContact O-N 3.16Å; S146-K148 PolarHBondContact OG-N 3.35Å; S146-K148 VanDerWaalsContact OG-N 3.12Å
149S96.1Very high97.8Very high67 Ų6739.1 Ų39.147%0.46922%0.222SC..THydrogen-bonded Turntrans-93.64.3179.961.60000113.8S146 T151S146-S149 WeakPolarHBondContact CB-OG 3.44Å; S146-S149 PolarHBondContact OG-N 3.39Å; S146-S149 VanDerWaalsContact OG-N 3.07Å; S146-S149 PolarHBondContact OG-OG 2.75Å; S149-T151 PolarHBondContact O-N 3.47Å; S149-T151 PolarHBondContact OG-OG1 3.34Å
150K97Very high98Very high87 Ų8735.7 Ų35.738%0.37819%0.186SC..THydrogen-bonded Turntrans59.221.4-174.1-153.4-175.7177.5-153.10113.7Q22 S146 M152 V153 D154Q22-K150 HydrophobicContact CG-CB 4.34Å; Q22-K150 HydrophobicContact CG-CG 3.9Å; S146-K150 CarbonylContact O-C 3.59Å; S146-K150 VanDerWaalsContact O-CA 3.24Å; S146-K150 WeakPolarHBondContact O-CA 3.46Å; S146-K150 PolarHBondContact O-N 3.13Å; K150-M152 PolarHBondContact O-N 3.02Å; K150-V153 HydrophobicContact CG-CB 4.21Å; K150-V153 HydrophobicContact CG-CG2 4.38Å; K150-D154 WeakPolarHBondContact CE-OD2 3.48Å; K150-D154 IonicContact NZ-OD1 3.07Å; K150-D154 IonicContact NZ-OD2 3.75Å; K150-D154 PolarHBondContact NZ-OD2 3.26Å
151T98.3Very high98Very high59 Ų5934.6 Ų34.636%0.36218%0.178SC..BIsolated β-bridgetrans-68122.3-179.9-58.90000110.2V118 T145 S146 S149 V153V118-T151 HydrophobicContact CG1-CG2 4.25Å; T145-T151 WeakPolarHBondContact CA-O 3.48Å; S146-T151 PolarHBondContact N-O 3.12Å; S146-T151 PolarHBondContact O-N 3.3Å; S149-T151 PolarHBondContact O-N 3.47Å; S149-T151 PolarHBondContact OG-OG1 3.34Å; T151-V153 PolarHBondContact O-N 3.06Å
152M98.3Very high97.9Very high90 Ų9035 Ų3544%0.44318%0.176SC..THydrogen-bonded Turntrans59.311.1177.3-60.5-60.5-67.900115.8M143 T145 K150 E155 L156M143-M152 HydrophobicContact CE-CB 4.26Å; M143-M152 HydrophobicContact CE-CE 3.34Å; T145-M152 HydrophobicContact CG2-CB 4.05Å; K150-M152 PolarHBondContact O-N 3.02Å; M152-E155 HydrophobicContact CE-CB 3.94Å; M152-E155 HydrophobicContact CE-CG 3.76Å; M152-L156 WeakPolarHBondContact O-CB 3.06Å; M152-L156 PolarHBondContact O-N 3.33Å
153V98.4Very high97.8Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-66.9-49.7-176.3177.20000111.6L19 Q22 F23 S146 K150 T151 E155 L156 F157L19-V153 HydrophobicContact CD2-CG2 3.83Å; Q22-V153 HydrophobicContact CB-CG1 4.44Å; Q22-V153 HydrophobicContact CG-CG1 4.23Å; Q22-V153 HydrophobicContact CG-CG2 4.32Å; F23-V153 HydrophobicContact CB-CG1 3.85Å; S146-V153 WeakPolarHBondContact O-CG2 3.46Å; K150-V153 HydrophobicContact CG-CB 4.21Å; K150-V153 HydrophobicContact CG-CG2 4.38Å; T151-V153 PolarHBondContact O-N 3.06Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.15Å; V153-L156 PolarHBondContact O-N 3.07Å; V153-F157 HydrophobicContact CG1-CD2 4.49Å; V153-F157 HydrophobicContact CG1-CE2 4.33Å; V153-F157 VanDerWaalsContact O-CD2 3.31Å; V153-F157 WeakPolarHBondContact O-CD2 3.45Å
154D97.7Very high97.6Very high66 Ų6635 Ų3535%0.35318%0.177SC..Hα-helixtrans-66-38.8-179.7-66.1-38.4000111.3F23 K150 L156 F157 A158F23-D154 WeakPolarHBondContact CD2-OD1 3.36Å; K150-D154 WeakPolarHBondContact CE-OD2 3.48Å; K150-D154 IonicContact NZ-OD1 3.07Å; K150-D154 IonicContact NZ-OD2 3.75Å; K150-D154 PolarHBondContact NZ-OD2 3.26Å; D154-L156 PolarHBondContact O-N 3.36Å; D154-F157 PolarHBondContact O-N 2.65Å; D154-A158 PolarHBondContact O-N 2.59Å; D154-A158 VanDerWaalsContact O-N 3.1Å
155E98.3Very high97.3Very high74 Ų7435.3 Ų35.335%0.34618%0.179SC..Hα-helixtrans-65.5-37.3178.2-172.358.9-151.300112.1M143 M152 V153 F157 A158 E159 R162M143-E155 HydrophobicContact CE-CB 3.84Å; M143-E155 HydrophobicContact CE-CG 3.58Å; M152-E155 HydrophobicContact CE-CB 3.94Å; M152-E155 HydrophobicContact CE-CG 3.76Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.15Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 2.85Å; E155-A158 PolarHBondContact O-N 3.23Å; E155-E159 VanDerWaalsContact O-CB 3.29Å; E155-E159 WeakPolarHBondContact O-CB 3.36Å; E155-E159 PolarHBondContact O-N 2.99Å; E155-R162 IonicContact OE1-CZ 2.85Å; E155-R162 IonicContact OE1-NH1 3.54Å; E155-R162 PolarHBondContact OE1-NH1 2.79Å; E155-R162 IonicContact OE1-NH2 3.95Å
156L98.6Very high96.8Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-56.5-47.6176.6166.861.3000112.1L19 I79 I112 V114 M143 T145 M152 V153 D154 E159 I160L19-L156 HydrophobicContact CD1-CD2 4.31Å; I79-L156 HydrophobicContact CD1-CD1 4.19Å; I79-L156 HydrophobicContact CD1-CD2 4.47Å; I79-L156 HydrophobicContact CD1-CG 4.14Å; I79-L156 HydrophobicContact CG1-CD1 4.32Å; I79-L156 HydrophobicContact CG2-CD1 4.04Å; I79-L156 HydrophobicContact CG2-CD2 4.16Å; I112-L156 HydrophobicContact CB-CD1 4.46Å; I112-L156 HydrophobicContact CD1-CD1 4.39Å; I112-L156 HydrophobicContact CG2-CD1 3.9Å; V114-L156 HydrophobicContact CG1-CD2 4.27Å; V114-L156 HydrophobicContact CG2-CD1 3.42Å; V114-L156 VanDerWaalsContact CG2-CD1 3.42Å; V114-L156 HydrophobicContact CG2-CD2 4.02Å; V114-L156 HydrophobicContact CG2-CG 4.37Å; M143-L156 HydrophobicContact CE-CB 4.39Å; M143-L156 HydrophobicContact SD-CB 4.16Å; M143-L156 HydrophobicContact SD-CD1 4.1Å; T145-L156 HydrophobicContact CG2-CB 4.48Å; T145-L156 HydrophobicContact CG2-CD2 4.22Å; M152-L156 WeakPolarHBondContact O-CB 3.06Å; M152-L156 PolarHBondContact O-N 3.33Å; V153-L156 PolarHBondContact O-N 3.07Å; D154-L156 PolarHBondContact O-N 3.36Å; L156-E159 PolarHBondContact O-N 2.68Å; L156-I160 PolarHBondContact O-N 2.82Å; L156-I160 VanDerWaalsContact O-N 3.17Å
157F98.4Very high96.2Very high1 Ų144 Ų440%0.00422%0.222CC..Hα-helixtrans-77-25.4-178.4-72.2-79.8000112.8F23 L53 I55 I79 V153 D154 E155 I160F23-F157 HydrophobicContact CB-CD2 3.57Å; F23-F157 HydrophobicContact CB-CE2 3.43Å; F23-F157 VanDerWaalsContact CB-CE2 3.43Å; F23-F157 HydrophobicContact CB-CG 4.47Å; F23-F157 HydrophobicContact CB-CZ 4.22Å; F23-F157 HydrophobicContact CD1-CB 4.18Å; F23-F157 HydrophobicContact CD1-CD1 4.08Å; F23-F157 AromaticContact CD1-CD2 3.67Å; F23-F157 HydrophobicContact CD1-CD2 3.67Å; F23-F157 HydrophobicContact CD1-CE1 4.38Å; F23-F157 HydrophobicContact CD1-CE2 4.02Å; F23-F157 AromaticContact CD1-CG 3.71Å; F23-F157 HydrophobicContact CD1-CG 3.71Å; F23-F157 HydrophobicContact CD1-CZ 4.35Å; F23-F157 HydrophobicContact CD2-CB 3.97Å; F23-F157 AromaticContact CD2-CD2 3.52Å; F23-F157 HydrophobicContact CD2-CD2 3.52Å; F23-F157 HydrophobicContact CD2-CE2 4.29Å; F23-F157 AromaticContact CD2-CG 3.96Å; F23-F157 HydrophobicContact CD2-CG 3.96Å; F23-F157 HydrophobicContact CE1-CB 3.74Å; F23-F157 HydrophobicContact CE1-CD1 4.09Å; F23-F157 HydrophobicContact CE1-CD2 4.14Å; F23-F157 AromaticContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 HydrophobicContact CE2-CD2 4.01Å; F23-F157 AromaticContact CE2-CG 3.99Å; F23-F157 HydrophobicContact CE2-CG 3.99Å; F23-F157 HydrophobicContact CG-CB 4.26Å; F23-F157 AromaticContact CG-CD2 3.3Å; F23-F157 HydrophobicContact CG-CD2 3.3Å; F23-F157 AromaticContact CG-CE2 3.68Å; F23-F157 HydrophobicContact CG-CE2 3.68Å; F23-F157 AromaticContact CG-CG 3.79Å; F23-F157 HydrophobicContact CG-CG 3.79Å; F23-F157 HydrophobicContact CG-CZ 4.43Å; F23-F157 HydrophobicContact CZ-CB 3.34Å; F23-F157 HydrophobicContact CZ-CD2 4.26Å; F23-F157 AromaticContact CZ-CG 3.84Å; F23-F157 HydrophobicContact CZ-CG 3.84Å; L53-F157 HydrophobicContact CD2-CB 3.99Å; L53-F157 HydrophobicContact CD2-CD1 3.87Å; L53-F157 HydrophobicContact CD2-CG 4.38Å; I55-F157 HydrophobicContact CD1-CD1 3.9Å; I55-F157 HydrophobicContact CD1-CE1 3.66Å; I55-F157 HydrophobicContact CD1-CZ 4.36Å; I55-F157 HydrophobicContact CG1-CD1 4.42Å; I55-F157 HydrophobicContact CG1-CE1 4.18Å; I55-F157 HydrophobicContact CG2-CE1 4.17Å; I79-F157 HydrophobicContact CD1-CD1 3.91Å; I79-F157 HydrophobicContact CD1-CE1 3.75Å; I79-F157 HydrophobicContact CD1-CZ 4.4Å; V153-F157 HydrophobicContact CG1-CD2 4.49Å; V153-F157 HydrophobicContact CG1-CE2 4.33Å; V153-F157 VanDerWaalsContact O-CD2 3.31Å; V153-F157 WeakPolarHBondContact O-CD2 3.45Å; D154-F157 PolarHBondContact O-N 2.65Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 2.85Å; F157-I160 WeakPolarHBondContact O-CG2 3.18Å
158A98.1Very high95.3Very high14 Ų1446.5 Ų46.512%0.11624%0.243CC..Hα-helixtrans-69.9-43.4168.200000111.3V46 D154 E155 I160 V161 R162V46-A158 HydrophobicContact CG2-CB 4.21Å; D154-A158 PolarHBondContact O-N 2.59Å; D154-A158 VanDerWaalsContact O-N 3.1Å; E155-A158 PolarHBondContact O-N 3.23Å; A158-I160 PolarHBondContact O-N 2.9Å; A158-V161 WeakPolarHBondContact O-CB 3.36Å; A158-V161 PolarHBondContact O-N 3.06Å; A158-V161 VanDerWaalsContact O-N 3.12Å; A158-R162 PolarHBondContact O-N 2.86Å; A158-R162 VanDerWaalsContact O-N 3.15Å
159E98.3Very high94Very high33 Ų3346.2 Ų46.215%0.15424%0.244CC..Hα-helixtrans-65.3-38.8-176.9-175.451.6-150.400112I112 P141 M143 E155 L156 V161 R162 Q163I112-E159 HydrophobicContact CD1-CB 3.79Å; I112-E159 HydrophobicContact CD1-CG 3.59Å; P141-E159 HydrophobicContact CB-CG 4.45Å; P141-E159 HydrophobicContact CG-CG 4.43Å; M143-E159 HydrophobicContact SD-CB 4.3Å; E155-E159 VanDerWaalsContact O-CB 3.29Å; E155-E159 WeakPolarHBondContact O-CB 3.36Å; E155-E159 PolarHBondContact O-N 2.99Å; L156-E159 PolarHBondContact O-N 2.68Å; E159-V161 PolarHBondContact O-N 3.01Å; E159-R162 WeakPolarHBondContact O-CB 3.24Å; E159-R162 PolarHBondContact O-N 3.39Å; E159-R162 VanDerWaalsContact O-N 3.1Å; E159-R162 IonicContact OE2-CZ 2.74Å; E159-R162 IonicContact OE2-NH1 2.8Å; E159-R162 PolarHBondContact OE2-NH1 2.74Å; E159-Q163 WeakPolarHBondContact O-CG 3.49Å; E159-Q163 PolarHBondContact O-N 3.39Å; E159-Q163 PolarHBondContact OE1-NE2 2.88Å
160I98.1Very high92.2Very high0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-64-31.4176.7-166.162.8000111.9V6 I79 P110 I112 L156 F157 A158 Q163 M164V6-I160 HydrophobicContact CG1-CG1 4.25Å; V6-I160 HydrophobicContact CG1-CG2 4.23Å; V6-I160 HydrophobicContact CG2-CG1 4.25Å; V6-I160 HydrophobicContact CG2-CG2 3.8Å; I79-I160 HydrophobicContact CD1-CB 4.46Å; I79-I160 HydrophobicContact CD1-CG2 4.2Å; I79-I160 HydrophobicContact CG1-CB 4.33Å; I79-I160 HydrophobicContact CG1-CG1 4.21Å; P110-I160 HydrophobicContact CB-CD1 4.42Å; I112-I160 HydrophobicContact CD1-CB 3.78Å; I112-I160 HydrophobicContact CD1-CD1 4.02Å; I112-I160 HydrophobicContact CD1-CG1 4.5Å; I112-I160 VanDerWaalsContact CD1-N 3.31Å; I112-I160 HydrophobicContact CG1-CD1 3.91Å; L156-I160 PolarHBondContact O-N 2.82Å; L156-I160 VanDerWaalsContact O-N 3.17Å; F157-I160 WeakPolarHBondContact O-CG2 3.18Å; A158-I160 PolarHBondContact O-N 2.9Å; I160-Q163 PolarHBondContact O-N 2.81Å; I160-M164 HydrophobicContact CG1-CE 4.2Å; I160-M164 HydrophobicContact CG2-CE 4.34Å; I160-M164 VanDerWaalsContact O-CE 3.3Å; I160-M164 WeakPolarHBondContact O-CE 3.27Å; I160-M164 WeakPolarHBondContact O-CG 3.45Å; I160-M164 PolarHBondContact O-N 2.8Å
161V97.4Very high90.2Very high0 Ų048.9 Ų48.90%026%0.263CS..Hα-helixtrans-63.6-48.5172.11740000110.7Y4 I44 V46 L53 A158 E159 Q163 M164 D165Y4-V161 HydrophobicContact CD1-CG1 4.46Å; Y4-V161 HydrophobicContact CD2-CG1 4.27Å; Y4-V161 HydrophobicContact CD2-CG2 4.4Å; Y4-V161 HydrophobicContact CE1-CG1 4.01Å; Y4-V161 HydrophobicContact CE2-CG1 3.83Å; Y4-V161 HydrophobicContact CG-CG2 4.45Å; I44-V161 HydrophobicContact CD1-CG2 4.16Å; V46-V161 HydrophobicContact CB-CB 4.46Å; V46-V161 HydrophobicContact CB-CG1 4.06Å; V46-V161 HydrophobicContact CG1-CB 4.23Å; V46-V161 HydrophobicContact CG1-CG1 4.05Å; V46-V161 HydrophobicContact CG2-CB 4.01Å; V46-V161 HydrophobicContact CG2-CG1 4Å; V46-V161 HydrophobicContact CG2-CG2 4.2Å; L53-V161 HydrophobicContact CD1-CG2 3.11Å; L53-V161 HydrophobicContact CD2-CG2 4.49Å; L53-V161 HydrophobicContact CG-CG2 4.4Å; A158-V161 WeakPolarHBondContact O-CB 3.36Å; A158-V161 PolarHBondContact O-N 3.06Å; A158-V161 VanDerWaalsContact O-N 3.12Å; E159-V161 PolarHBondContact O-N 3.01Å; V161-Q163 VanDerWaalsContact C-N 3.29Å; V161-Q163 PolarHBondContact O-N 2.86Å; V161-M164 HydrophobicContact CG2-CE 4.23Å; V161-M164 PolarHBondContact O-N 2.83Å; V161-M164 VanDerWaalsContact O-N 3.09Å; V161-D165 PolarHBondContact O-N 3.32Å
162R96.4Very high87.9Confident41 Ų4154.8 Ų54.816%0.15528%0.284CS..Hα-helixtrans-57.2-44.4176.9-60.5-169.6-167.3104.50.6111.4V46 D47 E155 A158 E159 M164 D165 Y166V46-R162 HydrophobicContact CG1-CG 3.8Å; D47-R162 IonicContact OD1-CZ 3.03Å; D47-R162 IonicContact OD1-NE 2.81Å; D47-R162 PolarHBondContact OD1-NE 2.74Å; D47-R162 IonicContact OD1-NH2 3.72Å; D47-R162 PolarHBondContact OD1-NH2 2.62Å; D47-R162 VanDerWaalsContact OD2-CD 3.32Å; D47-R162 WeakPolarHBondContact OD2-CD 3.45Å; D47-R162 IonicContact OD2-NE 3.57Å; D47-R162 PolarHBondContact OD2-NE 3.22Å; E155-R162 IonicContact OE1-CZ 2.85Å; E155-R162 IonicContact OE1-NH1 3.54Å; E155-R162 PolarHBondContact OE1-NH1 2.79Å; E155-R162 IonicContact OE1-NH2 3.95Å; A158-R162 PolarHBondContact O-N 2.86Å; A158-R162 VanDerWaalsContact O-N 3.15Å; E159-R162 WeakPolarHBondContact O-CB 3.24Å; E159-R162 PolarHBondContact O-N 3.39Å; E159-R162 VanDerWaalsContact O-N 3.1Å; E159-R162 IonicContact OE2-CZ 2.74Å; E159-R162 IonicContact OE2-NH1 2.8Å; E159-R162 PolarHBondContact OE2-NH1 2.74Å; R162-M164 VanDerWaalsContact C-N 3.34Å; R162-M164 PolarHBondContact O-N 2.86Å; R162-D165 PolarHBondContact O-N 3.28Å; R162-D165 VanDerWaalsContact O-N 3.13Å; R162-Y166 HydrophobicContact CB-CD2 4.45Å; R162-Y166 HydrophobicContact CB-CE2 3.96Å; R162-Y166 WeakPolarHBondContact O-CD2 3.48Å; R162-Y166 PolarHBondContact O-N 3.31Å
163Q95.7Very high85.6Confident45 Ų4557.5 Ų57.521%0.2130%0.3CS..Hα-helixtrans-59.7-41.6176.2-66.5-59.5-43.700112.6P110 I112 P141 E159 I160 V161 D165 Y166 A167P110-Q163 HydrophobicContact CB-CB 4.03Å; I112-Q163 HydrophobicContact CD1-CG 4.32Å; I112-Q163 HydrophobicContact CG1-CG 4.25Å; P141-Q163 HydrophobicContact CG-CG 4.02Å; P141-Q163 VanDerWaalsContact CG-NE2 3.34Å; E159-Q163 WeakPolarHBondContact O-CG 3.49Å; E159-Q163 PolarHBondContact O-N 3.39Å; E159-Q163 PolarHBondContact OE1-NE2 2.88Å; I160-Q163 PolarHBondContact O-N 2.81Å; V161-Q163 VanDerWaalsContact C-N 3.29Å; V161-Q163 PolarHBondContact O-N 2.86Å; Q163-D165 VanDerWaalsContact C-N 3.34Å; Q163-Y166 PolarHBondContact O-N 2.84Å; Q163-A167 WeakPolarHBondContact O-CB 3.14Å; Q163-A167 PolarHBondContact O-N 2.89Å
164M94.8Very high83.1Confident9 Ų962.6 Ų62.64%0.04433%0.327CS..Hα-helixtrans-68.3-32.5175.4-72.5-177.7-72.100112.9Y4 V6 Q76 G77 P110 I160 V161 R162 A168Y4-M164 VanDerWaalsContact CB-CE 3.5Å; Y4-M164 HydrophobicContact CD1-CB 3.83Å; Y4-M164 HydrophobicContact CD1-CE 3.61Å; Y4-M164 HydrophobicContact CD1-CG 4.5Å; Y4-M164 HydrophobicContact CD1-SD 3.9Å; Y4-M164 HydrophobicContact CE1-CB 4.06Å; Y4-M164 HydrophobicContact CG-CE 3.86Å; Y4-M164 HydrophobicContact CG-SD 4.46Å; V6-M164 HydrophobicContact CG2-CE 3.57Å; V6-M164 HydrophobicContact CG2-SD 4.37Å; Q76-M164 HydrophobicContact CB-CG 4.43Å; Q76-M164 HydrophobicContact CB-SD 3.57Å; Q76-M164 VanDerWaalsContact CB-SD 3.57Å; G77-M164 PolarHBondContact N-SD 2.82Å; G77-M164 VanDerWaalsContact N-SD 3.39Å; P110-M164 HydrophobicContact CB-CG 3.74Å; P110-M164 HydrophobicContact CG-CB 4.38Å; P110-M164 HydrophobicContact CG-CG 3.84Å; I160-M164 HydrophobicContact CG1-CE 4.2Å; I160-M164 HydrophobicContact CG2-CE 4.34Å; I160-M164 VanDerWaalsContact O-CE 3.3Å; I160-M164 WeakPolarHBondContact O-CE 3.27Å; I160-M164 WeakPolarHBondContact O-CG 3.45Å; I160-M164 PolarHBondContact O-N 2.8Å; V161-M164 HydrophobicContact CG2-CE 4.23Å; V161-M164 PolarHBondContact O-N 2.83Å; V161-M164 VanDerWaalsContact O-N 3.09Å; R162-M164 VanDerWaalsContact C-N 3.34Å; R162-M164 PolarHBondContact O-N 2.86Å; M164-A168 WeakPolarHBondContact O-CB 3.42Å; M164-A168 PolarHBondContact O-N 2.96Å
165D92.6Very high80.8Confident40 Ų4064.3 Ų64.321%0.21434%0.342CS..Hα-helixtrans-69.7-43.7174.2-77.2-30.3000112.1R2 Y4 V161 R162 Q163 A168 Q169R2-D165 IonicContact CZ-OD1 3.58Å; R2-D165 IonicContact NE-OD1 3.22Å; R2-D165 IonicContact NH1-OD1 3.63Å; R2-D165 PolarHBondContact NH1-OD1 2.89Å; R2-D165 IonicContact NH2-OD1 3.92Å; Y4-D165 WeakPolarHBondContact CE1-OD1 3.18Å; Y4-D165 PolarHBondContact OH-OD1 3.02Å; Y4-D165 PolarHBondContact OH-OD2 3.49Å; V161-D165 PolarHBondContact O-N 3.32Å; R162-D165 PolarHBondContact O-N 3.28Å; R162-D165 VanDerWaalsContact O-N 3.13Å; Q163-D165 VanDerWaalsContact C-N 3.34Å; D165-A168 PolarHBondContact O-N 2.9Å; D165-Q169 PolarHBondContact O-N 3.02Å
166Y88.2Confident78.6Confident137 Ų13765.7 Ų65.754%0.53736%0.359SS..Hα-helixtrans-61.7-44.3175.7-66.2-48.6000112.1R162 Q163 A168 Q169R162-Y166 HydrophobicContact CB-CD2 4.45Å; R162-Y166 HydrophobicContact CB-CE2 3.96Å; R162-Y166 WeakPolarHBondContact O-CD2 3.48Å; R162-Y166 PolarHBondContact O-N 3.31Å; Q163-Y166 PolarHBondContact O-N 2.84Å; Y166-A168 PolarHBondContact O-N 3.12Å; Y166-Q169 PolarHBondContact O-N 2.52Å
167A85.3Confident76.3Confident44 Ų4471.8 Ų71.836%0.36440%0.4SS..Hα-helixtrans-67.4-21.4178.600000113.7P110 Q163P110-A167 HydrophobicContact CG-CB 3.64Å; Q163-A167 WeakPolarHBondContact O-CB 3.14Å; Q163-A167 PolarHBondContact O-N 2.89Å
168A78.5Confident73.9Confident57 Ų5777 Ų7747%0.47144%0.437SS..THydrogen-bonded Turntrans-84-10.6177.400000113.6M164 D165 Y166M164-A168 WeakPolarHBondContact O-CB 3.42Å; M164-A168 PolarHBondContact O-N 2.96Å; D165-A168 PolarHBondContact O-N 2.9Å; Y166-A168 PolarHBondContact O-N 3.12Å
169Q69.5Low71.5Confident106 Ų10681 Ų8150%0.49546%0.463SS..SBendtrans-77130.3176.2-63.6-172.826.300109.5D165 Y166 D171D165-Q169 PolarHBondContact O-N 3.02Å; Y166-Q169 PolarHBondContact O-N 2.52Å; Q169-D171 PolarHBondContact O-N 3.47Å
170P57.8Low69.4Low111 Ų11185.1 Ų85.172%0.72150%0.495SS*.  trans-60.4135.6170.724.8-30.9000108.8K172P170-K172 PolarHBondContact O-N 2.89Å
171D56.3Low66.9Low99 Ų9993.2 Ų93.253%0.52954%0.538SS..  trans-53.6110.6174.9-84.2-41.4000108.1K108 Q169 D173 D174K108-D171 IonicContact NZ-OD1 3.79Å; K108-D171 PolarHBondContact NZ-OD1 2.83Å; K108-D171 IonicContact NZ-OD2 2.65Å; K108-D171 PolarHBondContact NZ-OD2 2.87Å; Q169-D171 PolarHBondContact O-N 3.47Å; D171-D173 PolarHBondContact O-N 2.85Å; D171-D173 VanDerWaalsContact O-N 3.12Å; D171-D174 PolarHBondContact O-N 2.86Å
172K50.3Low64.6Low184 Ų184100.8 Ų100.880%0.858%0.577SS**THydrogen-bonded Turntrans-69-5178.6-72.4-176.2179.9173.10112.7P170P170-K172 PolarHBondContact O-N 2.89Å
173D49.1Very low62.2Low147 Ų147111.2 Ų111.279%0.78663%0.627SS**THydrogen-bonded Turntrans-105.511.4-177-66-42.6000113.7D171 P175D171-D173 PolarHBondContact O-N 2.85Å; D171-D173 VanDerWaalsContact O-N 3.12Å; D173-P175 WeakPolarHBondContact O-CD 3.47Å
174D45.9Very low60.5Low106 Ų106114.6 Ų114.657%0.56765%0.648SS**  trans-74.7106.3171.9-165.4-10.9000110.4D171 C176D171-D174 PolarHBondContact O-N 2.86Å; D174-C176 PolarHBondContact O-N 3.31Å; D174-C176 VanDerWaalsContact O-N 3.16Å; D174-C176 WeakPolarHBondContact OD1-CB 3.42Å; D174-C176 PolarHBondContact OD1-N 3.07Å; D174-C176 VanDerWaalsContact OD1-N 3.13Å
175P48.4Very low58.7Low102 Ų102120.1 Ų120.166%0.66268%0.68SS**G310 helixtrans-72.6-7-177.4-9.929.2000112.2D173 C177D173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-C177 VanDerWaalsContact C-N 3.27Å; P175-C177 PolarHBondContact O-N 2.92Å
176C53.2Low56.8Low104 Ų104124.6 Ų124.670%0.70371%0.706SS**G310 helixtrans-74.6-7.9-165.4-152.30000114.9D174D174-C176 PolarHBondContact O-N 3.31Å; D174-C176 VanDerWaalsContact O-N 3.16Å; D174-C176 WeakPolarHBondContact OD1-CB 3.42Å; D174-C176 PolarHBondContact OD1-N 3.07Å; D174-C176 VanDerWaalsContact OD1-N 3.13Å
177C49.8Very low54.9Low128 Ų128123.8 Ų123.887%0.86572%0.716SS**G310 helixtrans-96.85.6179.3-87.70000115.8P175P175-C177 VanDerWaalsContact C-N 3.27Å; P175-C177 PolarHBondContact O-N 2.92Å
178S48.6Very low53Low111 Ų111128.8 Ų128.878%0.77674%0.738SS**SBendtrans-99-2.8-174.9-49.70000115.7
179S48.5Very low51.4Low97 Ų97133.6 Ų133.668%0.67876%0.756SS**  trans-141.556.2-170.954.70000114.7
180C52.3Low50.1Low120 Ų120135.6 Ų135.681%0.81177%0.774SS**  trans-12563.8156.5-88.90000110.1
181N47Very low49.5Very low170 Ų170137.5 Ų137.591%0.90978%0.778SS**  trans-114.285152.2-109.8-4000106.4
182I49.5Very low48.9Very low158 Ų158140.7 Ų140.781%0.8180%0.799SS**  trans-86.1124.3164.1-60176.4000105.8
183Q44.2Very low48.8Very low261 Ų261136.7 Ų136.7100%1.2280%0.799SS**  trans-52.20172-83.7172.7-46.200113.3

Retrieved 183 of 183 residues in 347.1 ms (Link to these results)

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