A0A077Z0W5_TRITR Loading...

GPN-loop GTPase 3

Small GTPase required for proper localization of RNA polymerase II (RNAPII). May act at an RNAP assembly step prior to nuclear import. Small GTPase required for proper nuclear import of RNA polymerase II and III (RNAPII and RNAPIII). May act at an RNAP assembly step prior to nuclear import.

AlphaFold DB , UniProt , Accession A0A077Z0W5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 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
1M82.8Confident93.1Very high62 Ų6215.8 Ų15.831%0.30510%0.099SC..  0153.50-168.8173.2-16700108.1D98 D99M1-D98 PolarHBondContact N-OD1 3.15Å; M1-D99 VanDerWaalsContact O-CA 3.31Å; M1-D99 WeakPolarHBondContact O-CA 3.09Å; M1-D99 PolarHBondContact O-N 2.64Å
2R91Very high92.8Very high17 Ų1718.7 Ų18.76%0.06413%0.134CC..EExtended strand (participates in β ladder)trans-109151.6178.1-59.1176.976.4170.411.3110.2L94 G95 G97 N130 F131 S132R2-L94 PolarHBondContact NH2-O 3.4Å; R2-G95 PolarHBondContact NH1-O 3.24Å; R2-G95 PolarHBondContact NH2-O 3.3Å; R2-G97 VanDerWaalsContact CG-O 3.26Å; R2-G97 WeakPolarHBondContact CG-O 3.42Å; R2-N130 PolarHBondContact N-O 2.82Å; R2-N130 VanDerWaalsContact N-O 3.13Å; R2-F131 HydrophobicContact CB-CD1 3.84Å; R2-F131 HydrophobicContact CB-CD2 3.95Å; R2-F131 HydrophobicContact CB-CE1 3.92Å; R2-F131 HydrophobicContact CB-CE2 4.04Å; R2-F131 HydrophobicContact CB-CG 3.86Å; R2-F131 HydrophobicContact CB-CZ 4.01Å; R2-F131 HydrophobicContact CG-CE2 4.47Å; R2-F131 VanDerWaalsContact CZ-CZ 3.45Å; R2-F131 VanDerWaalsContact NE-CZ 3.29Å; R2-F131 CarbonylContact O-C 3.55Å; R2-F131 VanDerWaalsContact O-CA 3.3Å; R2-F131 WeakPolarHBondContact O-CA 3.48Å; R2-S132 PolarHBondContact O-N 3.2Å
3Y94.5Very high92.7Very high1 Ų117.3 Ų17.30%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-128.1138.9-174.2-55.9-87.7000109.8D100 Y101 F102 S132 V251 Y253Y3-D100 PolarHBondContact N-O 3.26Å; Y3-Y101 HydrophobicContact CG-CD2 4.22Å; Y3-Y101 CarbonylContact O-C 3.52Å; Y3-Y101 WeakPolarHBondContact O-CA 3.35Å; Y3-F102 PolarHBondContact O-N 2.57Å; Y3-S132 CarbonylContact C-O 3.55Å; Y3-S132 WeakPolarHBondContact CA-O 3.43Å; Y3-V251 HydrophobicContact CD1-CG1 3.76Å; Y3-V251 HydrophobicContact CG-CG1 4.41Å; Y3-Y253 AromaticContact CD1-CD2 3.81Å; Y3-Y253 HydrophobicContact CD1-CD2 3.81Å; Y3-Y253 HydrophobicContact CD1-CG 4.47Å; Y3-Y253 AromaticContact CD2-CD2 3.54Å; Y3-Y253 HydrophobicContact CD2-CD2 3.54Å; Y3-Y253 AromaticContact CD2-CE2 3.85Å; Y3-Y253 HydrophobicContact CD2-CE2 3.85Å; Y3-Y253 HydrophobicContact CE1-CD2 4.02Å; Y3-Y253 AromaticContact CE2-CD2 3.75Å; Y3-Y253 HydrophobicContact CE2-CD2 3.75Å; Y3-Y253 HydrophobicContact CE2-CE2 4.05Å; Y3-Y253 AromaticContact CG-CD2 3.57Å; Y3-Y253 HydrophobicContact CG-CD2 3.57Å; Y3-Y253 HydrophobicContact CG-CE2 4.28Å; Y3-Y253 AromaticContact CZ-CD2 3.98Å
4G94.9Very high92.7Very high0 Ų017.3 Ų17.30%013%0.128CC..EExtended strand (participates in β ladder)trans-145.4138.7-17600000114.1F102 S132 L133 C134G4-F102 CarbonylContact C-O 3.57Å; G4-F102 VanDerWaalsContact CA-O 3.25Å; G4-F102 WeakPolarHBondContact CA-O 3.32Å; G4-S132 PolarHBondContact N-O 3.17Å; G4-L133 WeakPolarHBondContact O-CA 3.47Å; G4-C134 PolarHBondContact O-N 3.1Å
5Q96.9Very high92.8Very high0 Ų016.9 Ų16.90%012%0.123CC..EExtended strand (participates in β ladder)trans-104.4125.5165.3-52.9-177.421.900109.4V7 Y101 F102 L103 F104 C134 V136 I247Q5-V7 HydrophobicContact CB-CG2 4.4Å; Q5-Y101 HydrophobicContact CG-CE1 3.74Å; Q5-Y101 VanDerWaalsContact CG-OH 3.22Å; Q5-Y101 WeakPolarHBondContact CG-OH 3.44Å; Q5-Y101 VanDerWaalsContact NE2-CE1 3.34Å; Q5-Y101 PolarHBondContact NE2-OH 3.11Å; Q5-F102 PolarHBondContact N-O 2.73Å; Q5-L103 HydrophobicContact CB-CD2 3.59Å; Q5-L103 HydrophobicContact CG-CD2 3.59Å; Q5-F104 PolarHBondContact O-N 3.28Å; Q5-C134 CarbonylContact C-O 3.57Å; Q5-C134 WeakPolarHBondContact CA-O 3.49Å; Q5-V136 HydrophobicContact CB-CG2 4.07Å; Q5-V136 HydrophobicContact CG-CG2 4.41Å; Q5-I247 HydrophobicContact CG-CG2 3.75Å
6I96.4Very high92.8Very high2 Ų218.7 Ų18.71%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-97.4102.4173.6-54-173.7000107.6I8 F104 C106 M119 V123 L126 L133 C134 A135 V136 L166I6-I8 HydrophobicContact CG2-CG2 3.84Å; I6-I8 PolarHBondContact O-N 2.96Å; I6-F104 HydrophobicContact CG1-CD2 4.18Å; I6-C106 VanDerWaalsContact CG2-SG 3.54Å; I6-M119 HydrophobicContact CG2-CE 4.08Å; I6-V123 HydrophobicContact CD1-CG2 3.48Å; I6-V123 VanDerWaalsContact CD1-CG2 3.48Å; I6-L126 HydrophobicContact CD1-CD1 4.15Å; I6-L133 HydrophobicContact CD1-CD1 4.28Å; I6-L133 HydrophobicContact CD1-CD2 4.44Å; I6-L133 HydrophobicContact CG1-CD2 4.44Å; I6-C134 PolarHBondContact N-O 3.06Å; I6-A135 CarbonylContact O-C 3.56Å; I6-A135 WeakPolarHBondContact O-CA 3.35Å; I6-V136 PolarHBondContact O-N 2.96Å; I6-L166 HydrophobicContact CD1-CD1 3.74Å
7V96.5Very high92.9Very high0 Ų021.8 Ų21.80%015%0.152CC..EExtended strand (participates in β ladder)trans-87.8110.4-173-172.50000108.8Q5 K15 F18 F104 C106 T138Q5-V7 HydrophobicContact CB-CG2 4.4Å; V7-K15 HydrophobicContact CG1-CB 3.82Å; V7-K15 HydrophobicContact CG1-CG 3.98Å; V7-F18 HydrophobicContact CB-CD1 4.42Å; V7-F18 HydrophobicContact CG1-CD1 3.7Å; V7-F18 HydrophobicContact CG1-CE1 4.27Å; V7-F18 HydrophobicContact CG1-CG 4.47Å; V7-F18 HydrophobicContact CG2-CD1 3.79Å; V7-F18 HydrophobicContact CG2-CE1 3.72Å; V7-F104 PolarHBondContact N-O 2.86Å; V7-C106 VanDerWaalsContact O-CB 3.29Å; V7-C106 WeakPolarHBondContact O-CB 3.38Å; V7-C106 PolarHBondContact O-N 2.94Å; V7-T138 HydrophobicContact CG1-CG2 4.15Å
8I95.1Very high93Very high0 Ų020.7 Ų20.70%014%0.144CC..EExtended strand (participates in β ladder)trans-126.1165.4-174.162.2177.2000110.8I6 C106 Y113 A135 V136 F137 T138 A160 L164I6-I8 HydrophobicContact CG2-CG2 3.84Å; I6-I8 PolarHBondContact O-N 2.96Å; I8-C106 HydrophobicContact CG2-CB 4.12Å; I8-Y113 HydrophobicContact CB-CD1 4.14Å; I8-Y113 HydrophobicContact CB-CD2 4.18Å; I8-Y113 HydrophobicContact CB-CE1 4.06Å; I8-Y113 HydrophobicContact CB-CE2 4.11Å; I8-Y113 HydrophobicContact CB-CG 4.21Å; I8-Y113 HydrophobicContact CG2-CD1 3.59Å; I8-Y113 HydrophobicContact CG2-CD2 4.48Å; I8-Y113 HydrophobicContact CG2-CE1 3.36Å; I8-Y113 HydrophobicContact CG2-CE2 4.3Å; I8-Y113 HydrophobicContact CG2-CG 4.17Å; I8-A135 HydrophobicContact CD1-CB 4.21Å; I8-V136 PolarHBondContact N-O 3.43Å; I8-F137 HydrophobicContact CD1-CB 4.48Å; I8-F137 HydrophobicContact CD1-CD2 3.75Å; I8-F137 HydrophobicContact CG1-CB 4.12Å; I8-F137 HydrophobicContact CG1-CD2 3.71Å; I8-F137 HydrophobicContact CG1-CG 4.34Å; I8-F137 WeakPolarHBondContact O-CA 3.42Å; I8-T138 PolarHBondContact O-N 2.99Å; I8-T138 PolarHBondContact O-OG1 3.2Å; I8-A160 HydrophobicContact CD1-CB 4.2Å; I8-L164 HydrophobicContact CD1-CD1 3.49Å; I8-L164 VanDerWaalsContact CD1-CD1 3.49Å
9G92.7Very high93.1Very high0 Ų019.6 Ų19.60%014%0.137CC..  trans142.3165.6-179.200000113K15G9-K15 PolarHBondContact O-NZ 3.48Å
10P92Very high93.2Very high31 Ų3121.2 Ų21.220%0.20114%0.141CC..SBendtrans-59.6160-177.722.4-30.2000113.2G12 S13 K15 G108 L110 T138 L139P10-G12 PolarHBondContact O-N 3.41Å; P10-S13 VanDerWaalsContact O-CB 3.25Å; P10-S13 WeakPolarHBondContact O-CB 3.35Å; P10-S13 PolarHBondContact O-N 3.42Å; P10-S13 VanDerWaalsContact O-N 3.09Å; P10-S13 PolarHBondContact O-OG 3.16Å; P10-K15 PolarHBondContact O-NZ 3.17Å; P10-G108 CarbonylContact C-O 3.56Å; P10-G108 WeakPolarHBondContact CA-O 3.39Å; P10-L110 HydrophobicContact CB-CD1 3.76Å; P10-L110 HydrophobicContact CB-CG 4.15Å; P10-L110 HydrophobicContact CG-CD1 4.23Å; P10-T138 WeakPolarHBondContact CD-O 3.35Å; P10-L139 HydrophobicContact CG-CD2 3.81Å
11A91.2Very high93.2Very high61 Ų6121.1 Ų21.150%0.50414%0.14SC..THydrogen-bonded Turntrans-55.5134.8173.200000110.5S13 G108A11-S13 VanDerWaalsContact C-N 3.28Å; A11-S13 PolarHBondContact O-N 3.08Å; A11-G108 PolarHBondContact N-O 2.95Å
12G89.7Confident93.8Very high50 Ų5018.3 Ų18.352%0.51513%0.126SC..THydrogen-bonded Turntrans77.42.1-177.600000115.6P10 G14 K174P10-G12 PolarHBondContact O-N 3.41Å; G12-G14 PolarHBondContact O-N 3.17Å; G12-K174 WeakPolarHBondContact O-CE 3.37Å; G12-K174 PolarHBondContact O-NZ 2.82Å
13S92.1Very high93.9Very high1 Ų118.4 Ų18.41%0.00713%0.13CC..SBendtrans-66.8-13.8173.967.80000114.1P10 A11 T138 T173P10-S13 VanDerWaalsContact O-CB 3.25Å; P10-S13 WeakPolarHBondContact O-CB 3.35Å; P10-S13 PolarHBondContact O-N 3.42Å; P10-S13 VanDerWaalsContact O-N 3.09Å; P10-S13 PolarHBondContact O-OG 3.16Å; A11-S13 VanDerWaalsContact C-N 3.28Å; A11-S13 PolarHBondContact O-N 3.08Å; S13-T138 WeakPolarHBondContact CB-O 3.48Å; S13-T138 WeakPolarHBondContact CB-OG1 3.31Å; S13-T138 PolarHBondContact OG-OG1 3.1Å; S13-T173 WeakPolarHBondContact O-CB 3.37Å; S13-T173 WeakPolarHBondContact O-CG2 3.27Å; S13-T173 PolarHBondContact O-OG1 3.36Å
14G91.7Very high93.9Very high17 Ų1723.3 Ų23.318%0.17515%0.153CC..  trans92.226.3179.200000115.2G12 T17 F18G12-G14 PolarHBondContact O-N 3.17Å; G14-T17 PolarHBondContact O-N 3.22Å; G14-F18 WeakPolarHBondContact O-CB 3.28Å; G14-F18 PolarHBondContact O-N 3.29Å
15K94.1Very high93.8Very high12 Ų1226 Ų265%0.05216%0.163CC..Hα-helixtrans-54.7-51.5177.3-62.5179.6-68.6-64.40113.8V7 G9 P10 T17 F18 C19 D105 C106 T138V7-K15 HydrophobicContact CG1-CB 3.82Å; V7-K15 HydrophobicContact CG1-CG 3.98Å; G9-K15 PolarHBondContact O-NZ 3.48Å; P10-K15 PolarHBondContact O-NZ 3.17Å; K15-T17 VanDerWaalsContact C-N 3.32Å; K15-T17 PolarHBondContact O-N 3.19Å; K15-F18 VanDerWaalsContact O-CB 3.31Å; K15-F18 WeakPolarHBondContact O-CB 3.32Å; K15-F18 PolarHBondContact O-N 3.13Å; K15-F18 VanDerWaalsContact O-N 3.15Å; K15-C19 PolarHBondContact O-N 3.43Å; K15-C19 PolarHBondContact O-SG 3.47Å; K15-D105 VanDerWaalsContact CB-OD1 3.23Å; K15-D105 WeakPolarHBondContact CB-OD1 2.92Å; K15-C106 WeakPolarHBondContact CD-O 3.38Å; K15-C106 WeakPolarHBondContact CE-O 3.42Å; K15-T138 VanDerWaalsContact CG-OG1 3.29Å; K15-T138 WeakPolarHBondContact CG-OG1 3.31Å
16S94Very high93.4Very high45 Ų4526 Ų2632%0.31516%0.164SC..Hα-helixtrans-65.8-36.4179.3-44.50000112C19 K20 D105S16-C19 PolarHBondContact O-N 3.31Å; S16-K20 PolarHBondContact O-N 2.84Å; S16-D105 VanDerWaalsContact CA-OD2 3.22Å; S16-D105 WeakPolarHBondContact CA-OD2 3.29Å; S16-D105 WeakPolarHBondContact CB-OD2 3.43Å; S16-D105 PolarHBondContact OG-OD2 3.38Å
17T93.8Very high93.2Very high71 Ų7129.2 Ų29.244%0.43619%0.191SC..Hα-helixtrans-64-43.2172.5-49.50000111.1G14 K15 C19 K20 T21 I234G14-T17 PolarHBondContact O-N 3.22Å; K15-T17 VanDerWaalsContact C-N 3.32Å; K15-T17 PolarHBondContact O-N 3.19Å; T17-C19 PolarHBondContact O-N 3.09Å; T17-K20 WeakPolarHBondContact O-CB 3.3Å; T17-K20 PolarHBondContact O-N 3.43Å; T17-T21 WeakPolarHBondContact O-CB 3.38Å; T17-T21 PolarHBondContact O-N 3.18Å; T17-T21 PolarHBondContact O-OG1 2.98Å; T17-T21 VanDerWaalsContact O-OG1 3.09Å; T17-I234 HydrophobicContact CG2-CD1 4.4Å
18F94.8Very high92.9Very high2 Ų233.3 Ų33.31%0.00922%0.219CC..Hα-helixtrans-58.4-47.5174.1172.2-92.5000111.2V7 G14 K15 K20 T21 V22 V136 L232 L243 I247V7-F18 HydrophobicContact CB-CD1 4.42Å; V7-F18 HydrophobicContact CG1-CD1 3.7Å; V7-F18 HydrophobicContact CG1-CE1 4.27Å; V7-F18 HydrophobicContact CG1-CG 4.47Å; V7-F18 HydrophobicContact CG2-CD1 3.79Å; V7-F18 HydrophobicContact CG2-CE1 3.72Å; G14-F18 WeakPolarHBondContact O-CB 3.28Å; G14-F18 PolarHBondContact O-N 3.29Å; K15-F18 VanDerWaalsContact O-CB 3.31Å; K15-F18 WeakPolarHBondContact O-CB 3.32Å; K15-F18 PolarHBondContact O-N 3.13Å; K15-F18 VanDerWaalsContact O-N 3.15Å; F18-K20 VanDerWaalsContact C-N 3.33Å; F18-K20 PolarHBondContact O-N 3.1Å; F18-T21 PolarHBondContact O-N 2.97Å; F18-V22 HydrophobicContact CD1-CG2 4.31Å; F18-V22 HydrophobicContact CD2-CG2 3.98Å; F18-V22 HydrophobicContact CE1-CG2 3.94Å; F18-V22 HydrophobicContact CE2-CG2 3.56Å; F18-V22 HydrophobicContact CG-CG2 4.34Å; F18-V22 HydrophobicContact CZ-CG2 3.56Å; F18-V22 WeakPolarHBondContact O-CB 3.47Å; F18-V22 WeakPolarHBondContact O-CG2 3.46Å; F18-V22 PolarHBondContact O-N 3.03Å; F18-V136 HydrophobicContact CE1-CG1 4.06Å; F18-V136 HydrophobicContact CE2-CG1 4.41Å; F18-V136 HydrophobicContact CZ-CG1 3.84Å; F18-L232 HydrophobicContact CD2-CD2 3.57Å; F18-L232 HydrophobicContact CE2-CD2 4.06Å; F18-L243 HydrophobicContact CE2-CD2 3.61Å; F18-L243 HydrophobicContact CZ-CD2 4.38Å; F18-I247 HydrophobicContact CZ-CD1 4.23Å
19C95.1Very high92.5Very high0 Ų036.4 Ų36.40%024%0.241CC..Hα-helixtrans-59.7-43.5178.4-64.70000112.1K15 S16 T17 S23 V35 Y47 L103K15-C19 PolarHBondContact O-N 3.43Å; K15-C19 PolarHBondContact O-SG 3.47Å; S16-C19 PolarHBondContact O-N 3.31Å; T17-C19 PolarHBondContact O-N 3.09Å; C19-S23 VanDerWaalsContact O-CB 3.24Å; C19-S23 WeakPolarHBondContact O-CB 3.41Å; C19-S23 PolarHBondContact O-N 3.01Å; C19-S23 PolarHBondContact O-OG 3.23Å; C19-S23 VanDerWaalsContact O-OG 3.13Å; C19-V35 HydrophobicContact CB-CG1 3.9Å; C19-Y47 HydrophobicContact CB-CD1 4.48Å; C19-Y47 HydrophobicContact CB-CE1 4.13Å; C19-L103 HydrophobicContact CB-CD1 4.3Å
20K94.7Very high92.2Very high51 Ų5141.4 Ų41.422%0.22228%0.276CS..Hα-helixtrans-56.5-60.1173-173.6-166.4-174.71720111S16 T17 F18 V22 S23 E24 D46 Y47S16-K20 PolarHBondContact O-N 2.84Å; T17-K20 WeakPolarHBondContact O-CB 3.3Å; T17-K20 PolarHBondContact O-N 3.43Å; F18-K20 VanDerWaalsContact C-N 3.33Å; F18-K20 PolarHBondContact O-N 3.1Å; K20-V22 VanDerWaalsContact C-N 3.33Å; K20-V22 PolarHBondContact O-N 3.13Å; K20-S23 PolarHBondContact O-N 2.91Å; K20-S23 VanDerWaalsContact O-N 3.12Å; K20-S23 PolarHBondContact O-OG 3.4Å; K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 HydrophobicContact CG-CG 4.48Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.26Å; K20-D46 HydrophobicContact CD-CB 3.61Å; K20-D46 HydrophobicContact CG-CB 4.36Å; K20-D46 IonicContact NZ-OD2 2.69Å; K20-D46 PolarHBondContact NZ-OD2 2.82Å; K20-Y47 HydrophobicContact CB-CD1 4.04Å
21T94.1Very high92Very high20 Ų2041.5 Ų41.512%0.12327%0.272CS..Hα-helixtrans-58.2-44.2-174.5-62.40000112T17 F18 E24 Y25 I240T17-T21 WeakPolarHBondContact O-CB 3.38Å; T17-T21 PolarHBondContact O-N 3.18Å; T17-T21 PolarHBondContact O-OG1 2.98Å; T17-T21 VanDerWaalsContact O-OG1 3.09Å; F18-T21 PolarHBondContact O-N 2.97Å; T21-E24 PolarHBondContact O-N 3.18Å; T21-Y25 VanDerWaalsContact O-CB 3.31Å; T21-Y25 WeakPolarHBondContact O-CB 3.5Å; T21-Y25 PolarHBondContact O-N 2.9Å; T21-I240 HydrophobicContact CG2-CD1 3.35Å; T21-I240 HydrophobicContact CG2-CG1 4.05Å
22V94Very high91.9Very high3 Ų344.6 Ų44.62%0.01828%0.28CS..Hα-helixtrans-67.5-40.4178.3173.20000111.5F18 K20 Y25 G26 I33 L103 L244F18-V22 HydrophobicContact CD1-CG2 4.31Å; F18-V22 HydrophobicContact CD2-CG2 3.98Å; F18-V22 HydrophobicContact CE1-CG2 3.94Å; F18-V22 HydrophobicContact CE2-CG2 3.56Å; F18-V22 HydrophobicContact CG-CG2 4.34Å; F18-V22 HydrophobicContact CZ-CG2 3.56Å; F18-V22 WeakPolarHBondContact O-CB 3.47Å; F18-V22 WeakPolarHBondContact O-CG2 3.46Å; F18-V22 PolarHBondContact O-N 3.03Å; K20-V22 VanDerWaalsContact C-N 3.33Å; K20-V22 PolarHBondContact O-N 3.13Å; V22-Y25 PolarHBondContact O-N 2.98Å; V22-G26 PolarHBondContact O-N 3.36Å; V22-I33 HydrophobicContact CG1-CD1 3.94Å; V22-L103 HydrophobicContact CB-CD1 3.95Å; V22-L103 HydrophobicContact CG1-CD1 3.84Å; V22-L103 HydrophobicContact CG1-CD2 4.34Å; V22-L244 HydrophobicContact CG1-CD1 4.34Å; V22-L244 HydrophobicContact CG1-CD2 3.73Å; V22-L244 HydrophobicContact CG1-CG 4.37Å
23S93.8Very high92.1Very high20 Ų2043 Ų4314%0.1426%0.259CS..Hα-helixtrans-64.9-40.3177.472.70000112.5C19 K20 G26 A27C19-S23 VanDerWaalsContact O-CB 3.24Å; C19-S23 WeakPolarHBondContact O-CB 3.41Å; C19-S23 PolarHBondContact O-N 3.01Å; C19-S23 PolarHBondContact O-OG 3.23Å; C19-S23 VanDerWaalsContact O-OG 3.13Å; K20-S23 PolarHBondContact O-N 2.91Å; K20-S23 VanDerWaalsContact O-N 3.12Å; K20-S23 PolarHBondContact O-OG 3.4Å; S23-G26 PolarHBondContact O-N 3.34Å; S23-A27 PolarHBondContact O-N 3.47Å
24E93.4Very high92.2Very high104 Ų10444.4 Ų44.449%0.48627%0.265SS..Hα-helixtrans-67.6-43.6176.8-71.6174.9166.300111.6K20 T21 G26 A27 S28K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 HydrophobicContact CG-CG 4.48Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.26Å; T21-E24 PolarHBondContact O-N 3.18Å; E24-G26 VanDerWaalsContact C-N 3.34Å; E24-A27 PolarHBondContact O-N 2.96Å; E24-S28 PolarHBondContact O-N 2.66Å
25Y93Very high92.4Very high55 Ų5543.8 Ų43.822%0.21626%0.258CS..Hα-helixtrans-64.2-38.2174.5-175.8-85.5000112.3T21 V22 S28 S29 E237 I240 G241 L244T21-Y25 VanDerWaalsContact O-CB 3.31Å; T21-Y25 WeakPolarHBondContact O-CB 3.5Å; T21-Y25 PolarHBondContact O-N 2.9Å; V22-Y25 PolarHBondContact O-N 2.98Å; Y25-S28 PolarHBondContact O-N 3.44Å; Y25-S28 PolarHBondContact O-OG 3.37Å; Y25-S29 WeakPolarHBondContact O-CB 3.06Å; Y25-S29 PolarHBondContact O-N 3.28Å; Y25-S29 VanDerWaalsContact O-N 3.1Å; Y25-S29 PolarHBondContact O-OG 3.32Å; Y25-E237 HydrophobicContact CE2-CB 4.15Å; Y25-E237 WeakPolarHBondContact CE2-O 3.35Å; Y25-I240 HydrophobicContact CD1-CG2 3.94Å; Y25-I240 HydrophobicContact CD2-CB 4.16Å; Y25-I240 HydrophobicContact CD2-CG2 3.79Å; Y25-I240 HydrophobicContact CE1-CG2 4.45Å; Y25-I240 HydrophobicContact CE2-CB 4.36Å; Y25-I240 HydrophobicContact CE2-CG2 4.31Å; Y25-I240 HydrophobicContact CG-CB 4.44Å; Y25-I240 HydrophobicContact CG-CG2 3.58Å; Y25-G241 WeakPolarHBondContact OH-CA 3.36Å; Y25-L244 HydrophobicContact CD1-CD1 3.38Å; Y25-L244 HydrophobicContact CE1-CD1 3.71Å; Y25-L244 HydrophobicContact CG-CD1 4.4Å
26G90.3Very high92.5Very high1 Ų143.2 Ų43.21%0.0126%0.255CS..Hα-helixtrans-59.8-48.2172.100000111.3V22 S23 E24 S28 S29 S30 R31V22-G26 PolarHBondContact O-N 3.36Å; S23-G26 PolarHBondContact O-N 3.34Å; E24-G26 VanDerWaalsContact C-N 3.34Å; G26-S28 PolarHBondContact O-N 3.28Å; G26-S29 CarbonylContact O-C 3.57Å; G26-S29 WeakPolarHBondContact O-CA 3.13Å; G26-S29 PolarHBondContact O-N 3.05Å; G26-S30 PolarHBondContact O-N 3Å; G26-R31 CarbonylContact C-O 3.56Å; G26-R31 WeakPolarHBondContact O-CA 3.49Å; G26-R31 PolarHBondContact O-N 3.35Å
27A90.6Very high92.6Very high70 Ų7041 Ų4158%0.57924%0.24SC*.Hα-helixtrans-60.8-41.4179.300000112.6S23 E24 S29 S30 R31S23-A27 PolarHBondContact O-N 3.47Å; E24-A27 PolarHBondContact O-N 2.96Å; A27-S29 VanDerWaalsContact C-N 3.25Å; A27-S29 PolarHBondContact O-N 3.49Å; A27-S30 PolarHBondContact O-N 2.97Å; A27-R31 PolarHBondContact N-O 2.97Å
28S90.1Very high92.7Very high86 Ų8637.7 Ų37.760%0.60122%0.22SC*.Hα-helixtrans-65.1-30.6175.170.60000112.4E24 Y25 G26 S30E24-S28 PolarHBondContact O-N 2.66Å; Y25-S28 PolarHBondContact O-N 3.44Å; Y25-S28 PolarHBondContact O-OG 3.37Å; G26-S28 PolarHBondContact O-N 3.28Å; S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 3.4Å
29S87.5Confident92.6Very high65 Ų6538.8 Ų38.846%0.45523%0.226SC..THydrogen-bonded Turntrans-87.911.9177.3-58.60000114.3Y25 G26 A27 R31Y25-S29 WeakPolarHBondContact O-CB 3.06Å; Y25-S29 PolarHBondContact O-N 3.28Å; Y25-S29 VanDerWaalsContact O-N 3.1Å; Y25-S29 PolarHBondContact O-OG 3.32Å; G26-S29 CarbonylContact O-C 3.57Å; G26-S29 WeakPolarHBondContact O-CA 3.13Å; G26-S29 PolarHBondContact O-N 3.05Å; A27-S29 VanDerWaalsContact C-N 3.25Å; A27-S29 PolarHBondContact O-N 3.49Å; S29-R31 PolarHBondContact O-N 2.94Å
30S86.7Confident92.5Very high105 Ų10539 Ų3973%0.73423%0.227SC*.THydrogen-bonded Turntrans59.226.2-175.9-53.20000114.6G26 A27 S28G26-S30 PolarHBondContact O-N 3Å; A27-S30 PolarHBondContact O-N 2.97Å; S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 3.4Å
31R87Confident92.4Very high33 Ų3338.4 Ų38.413%0.12523%0.232CC..  trans-106.5120174.5-174.1-179.4-178.3175.36.7109.6G26 A27 S29 I33 D248 Y253G26-R31 CarbonylContact C-O 3.56Å; G26-R31 WeakPolarHBondContact O-CA 3.49Å; G26-R31 PolarHBondContact O-N 3.35Å; A27-R31 PolarHBondContact N-O 2.97Å; S29-R31 PolarHBondContact O-N 2.94Å; R31-I33 HydrophobicContact CG-CD1 4.46Å; R31-I33 HydrophobicContact CG-CG1 4.05Å; R31-I33 PolarHBondContact O-N 2.93Å; R31-D248 IonicContact CZ-OD1 3.71Å; R31-D248 IonicContact CZ-OD2 2.66Å; R31-D248 VanDerWaalsContact NH1-CG 3.3Å; R31-D248 IonicContact NH1-OD1 3.67Å; R31-D248 PolarHBondContact NH1-OD1 3.18Å; R31-D248 VanDerWaalsContact NH1-OD1 3.09Å; R31-D248 IonicContact NH1-OD2 3.51Å; R31-D248 PolarHBondContact NH1-OD2 3.12Å; R31-D248 IonicContact NH2-OD1 2.86Å; R31-D248 PolarHBondContact NH2-OD1 3.13Å; R31-D248 IonicContact NH2-OD2 2.73Å; R31-Y253 VanDerWaalsContact CZ-CE1 3.46Å; R31-Y253 VanDerWaalsContact NH2-CE1 3.25Å; R31-Y253 VanDerWaalsContact NH2-CG 3.32Å
32L90.4Very high92.1Very high126 Ų12638.3 Ų38.366%0.6623%0.233SC*.  trans-80113.2176.6-174.466.3000109.5
33I93.4Very high91.4Very high15 Ų1545.5 Ų45.58%0.07727%0.271CS..EExtended strand (participates in β ladder)trans-114.7118.7176.2-62.6-179.8000108V22 R31 Y101 L103V22-I33 HydrophobicContact CG1-CD1 3.94Å; R31-I33 HydrophobicContact CG-CD1 4.46Å; R31-I33 HydrophobicContact CG-CG1 4.05Å; R31-I33 PolarHBondContact O-N 2.93Å; I33-Y101 HydrophobicContact CD1-CD1 4.42Å; I33-Y101 HydrophobicContact CG1-CD1 4.06Å; I33-Y101 HydrophobicContact CG2-CD1 4.1Å; I33-L103 HydrophobicContact CG2-CD1 3.62Å; I33-L103 HydrophobicContact CG2-CD2 4.12Å; I33-L103 HydrophobicContact CG2-CG 3.45Å; I33-L103 VanDerWaalsContact CG2-CG 3.45Å
34K94.7Very high90.9Very high31 Ų3151.6 Ų51.614%0.13530%0.297CS..EExtended strand (participates in β ladder)trans-95.9125.2-177.9-62174-174.9177.80109.4Y50 D100 Y101 F102 L103K34-Y50 HydrophobicContact CB-CD1 4.42Å; K34-Y50 HydrophobicContact CB-CD2 4.3Å; K34-Y50 HydrophobicContact CB-CG 4Å; K34-Y50 HydrophobicContact CD-CD1 4.36Å; K34-Y50 HydrophobicContact CD-CD2 3.94Å; K34-Y50 HydrophobicContact CD-CE1 4.23Å; K34-Y50 HydrophobicContact CD-CE2 3.84Å; K34-Y50 HydrophobicContact CD-CG 4.21Å; K34-Y50 HydrophobicContact CG-CD2 4.14Å; K34-Y50 HydrophobicContact CG-CE2 4.5Å; K34-Y50 HydrophobicContact CG-CG 4.33Å; K34-D100 WeakPolarHBondContact CE-OD1 3.44Å; K34-D100 IonicContact NZ-OD1 3.71Å; K34-D100 PolarHBondContact NZ-OD1 2.95Å; K34-D100 IonicContact NZ-OD2 2.64Å; K34-D100 PolarHBondContact NZ-OD2 3.05Å; K34-Y101 PolarHBondContact N-O 2.94Å; K34-F102 HydrophobicContact CB-CD1 3.69Å; K34-F102 HydrophobicContact CB-CE1 3.81Å; K34-F102 HydrophobicContact CB-CG 4.5Å; K34-F102 HydrophobicContact CD-CD1 4.23Å; K34-F102 HydrophobicContact CD-CE1 3.51Å; K34-F102 HydrophobicContact CD-CZ 3.75Å; K34-F102 HydrophobicContact CG-CE1 4.3Å; K34-F102 CarbonylContact O-C 3.33Å; K34-F102 VanDerWaalsContact O-CA 3.25Å; K34-F102 WeakPolarHBondContact O-CA 3.3Å; K34-L103 PolarHBondContact O-N 3.29Å
35V96Very high90.4Very high4 Ų447.9 Ų47.92%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-97.7126.1-179.7-171.20000110.4C19 Y47 Y50 L103C19-V35 HydrophobicContact CB-CG1 3.9Å; V35-Y47 HydrophobicContact CB-CD2 3.87Å; V35-Y47 HydrophobicContact CB-CE2 4Å; V35-Y47 HydrophobicContact CG1-CD2 3.67Å; V35-Y47 HydrophobicContact CG1-CE1 4.38Å; V35-Y47 HydrophobicContact CG1-CE2 3.34Å; V35-Y47 HydrophobicContact CG1-CG 4.34Å; V35-Y47 HydrophobicContact CG2-CD2 4.36Å; V35-Y50 WeakPolarHBondContact O-CB 3.33Å; V35-Y50 PolarHBondContact O-N 2.64Å; V35-L103 CarbonylContact C-O 3.56Å; V35-L103 WeakPolarHBondContact CA-O 3.38Å; V35-L103 HydrophobicContact CG1-CB 4.43Å; V35-L103 HydrophobicContact CG2-CB 4.41Å; V35-L103 HydrophobicContact CG2-CD1 4.23Å
36V96Very high90Very high0 Ų050.1 Ų50.10%030%0.295CS..EExtended strand (participates in β ladder)trans-110.4122.3178177.20000108.2L38 Y50 A51 L90 L94 F102 L103 F104 D105V36-L38 HydrophobicContact CG1-CD2 3.94Å; V36-L38 HydrophobicContact CG1-CG 4.33Å; V36-Y50 HydrophobicContact CG2-CD1 4.49Å; V36-A51 CarbonylContact C-O 3.56Å; V36-A51 WeakPolarHBondContact CA-O 3.45Å; V36-A51 HydrophobicContact CG1-CB 4.11Å; V36-A51 HydrophobicContact CG2-CB 4.29Å; V36-L90 HydrophobicContact CG1-CD1 4.36Å; V36-L94 HydrophobicContact CG2-CD2 3.83Å; V36-F102 HydrophobicContact CG2-CD1 3.91Å; V36-L103 PolarHBondContact N-O 2.81Å; V36-F104 HydrophobicContact CB-CD1 3.77Å; V36-F104 HydrophobicContact CB-CE1 4.09Å; V36-F104 HydrophobicContact CG1-CD1 3.86Å; V36-F104 HydrophobicContact CG1-CE1 4.14Å; V36-F104 HydrophobicContact CG2-CD1 4.28Å; V36-F104 HydrophobicContact CG2-CE1 4.12Å; V36-F104 WeakPolarHBondContact O-CA 3.3Å; V36-D105 PolarHBondContact O-N 3.02Å
37N95.9Very high89.9Confident0 Ų051 Ų510%030%0.298CS..EExtended strand (participates in β ladder)trans-84120.2173.9174.948000110.3D39 F45 C49 A51 D52 V53N37-D39 PolarHBondContact ND2-O 2.88Å; N37-D39 PolarHBondContact OD1-N 2.74Å; N37-D39 PolarHBondContact OD1-O 2.79Å; N37-F45 HydrophobicContact CB-CE2 4.01Å; N37-F45 HydrophobicContact CB-CZ 3.85Å; N37-F45 WeakPolarHBondContact ND2-CZ 3.41Å; N37-F45 WeakPolarHBondContact OD1-CZ 3.26Å; N37-C49 VanDerWaalsContact CB-SG 3.54Å; N37-A51 PolarHBondContact N-O 3.37Å; N37-D52 PolarHBondContact ND2-OD1 3.38Å; N37-V53 WeakPolarHBondContact O-CB 3.34Å; N37-V53 PolarHBondContact O-N 3.38Å
38L94.5Very high89.8Confident1 Ų153.9 Ų53.91%0.00531%0.309CS..  trans-1105.8169.7-58.9-176000112.5V36 P40 L83 L90 F104 D105 P107V36-L38 HydrophobicContact CG1-CD2 3.94Å; V36-L38 HydrophobicContact CG1-CG 4.33Å; L38-P40 VanDerWaalsContact O-CD 3.27Å; L38-P40 WeakPolarHBondContact O-CD 3.34Å; L38-L83 HydrophobicContact CD2-CD2 4.03Å; L38-L90 HydrophobicContact CD2-CD1 4.46Å; L38-F104 HydrophobicContact CD1-CB 3.95Å; L38-F104 HydrophobicContact CD1-CD1 4Å; L38-F104 HydrophobicContact CD1-CG 4.36Å; L38-F104 HydrophobicContact CG-CB 4.48Å; L38-F104 HydrophobicContact CG-CD1 4.39Å; L38-D105 CarbonylContact C-O 3.59Å; L38-D105 WeakPolarHBondContact CA-O 3.27Å; L38-D105 WeakPolarHBondContact CB-O 3.47Å; L38-D105 PolarHBondContact N-O 2.74Å; L38-P107 WeakPolarHBondContact O-CD 3.42Å; L38-P107 WeakPolarHBondContact O-CG 3.2Å
39D93.8Very high89.8Confident24 Ų2451.7 Ų51.713%0.12829%0.293CS..  trans-91.7105.4173.1-166.2-9.6000111.5N37 A41 A42 D105 P107N37-D39 PolarHBondContact ND2-O 2.88Å; N37-D39 PolarHBondContact OD1-N 2.74Å; N37-D39 PolarHBondContact OD1-O 2.79Å; D39-A41 PolarHBondContact O-N 3.16Å; D39-A41 WeakPolarHBondContact OD1-CB 3.36Å; D39-A41 PolarHBondContact OD1-N 2.93Å; D39-A42 HydrophobicContact CB-CB 4.11Å; D39-A42 PolarHBondContact O-N 2.94Å; D39-D105 PolarHBondContact N-O 2.88Å; D39-P107 HydrophobicContact CB-CB 4.43Å; D39-P107 HydrophobicContact CB-CG 4.44Å
40P92.8Very high90.1Very high4 Ų453.3 Ų53.33%0.02629%0.29CS..THydrogen-bonded Turntrans-75.8-8.1178.935.8-38.9000112.5L38 V53 I57 L59 L76 C79L38-P40 VanDerWaalsContact O-CD 3.27Å; L38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-V53 HydrophobicContact CB-CG1 4.09Å; P40-I57 WeakPolarHBondContact CB-O 3.3Å; P40-L59 WeakPolarHBondContact O-CB 3.26Å; P40-L59 PolarHBondContact O-N 3.35Å; P40-L76 HydrophobicContact CG-CD1 3.5Å; P40-L76 VanDerWaalsContact CG-CD1 3.5Å; P40-C79 HydrophobicContact CB-CB 3.89Å; P40-C79 HydrophobicContact CG-CB 3.53Å
41A91.9Very high90.4Very high40 Ų4048.4 Ų48.433%0.33126%0.256SS..THydrogen-bonded Turntrans-990.8179.400000113.5D39 L59 L76D39-A41 PolarHBondContact O-N 3.16Å; D39-A41 WeakPolarHBondContact OD1-CB 3.36Å; D39-A41 PolarHBondContact OD1-N 2.93Å; A41-L59 HydrophobicContact CB-CB 4.12Å; A41-L59 HydrophobicContact CB-CD2 3.45Å; A41-L59 VanDerWaalsContact CB-CD2 3.45Å; A41-L59 HydrophobicContact CB-CG 4.41Å; A41-L76 HydrophobicContact CB-CD1 4.19Å
42A88Confident90.8Very high17 Ų1747.6 Ų47.614%0.1425%0.254CS..  trans-77131.6-177.400000112.2D39 F45 R54D39-A42 HydrophobicContact CB-CB 4.11Å; D39-A42 PolarHBondContact O-N 2.94Å; A42-F45 HydrophobicContact CB-CE1 3.44Å; A42-F45 VanDerWaalsContact CB-CE1 3.44Å; A42-F45 HydrophobicContact CB-CE2 4.16Å; A42-F45 HydrophobicContact CB-CZ 3.17Å; A42-R54 WeakPolarHBondContact O-CD 3.29Å; A42-R54 PolarHBondContact O-NH1 2.73Å
43D80.2Confident91Very high155 Ų15541.6 Ų41.683%0.82922%0.223SC*.  trans-84.4-52.1-179.8-63.8-41.9000112R54D43-R54 PolarHBondContact O-NH1 3.09Å
44H82Confident91Very high148 Ų14844.6 Ų44.669%0.68523%0.233SC*.  trans-139.4140.9-171.3-173.162.3000111.7D46H44-D46 IonicContact CD2-OD1 2.69Å; H44-D46 IonicContact NE2-OD1 3.23Å
45F83.5Confident90.9Very high25 Ų2549 Ų4911%0.1126%0.258CS..  trans-121.6140173.5-55.7-64.4000110.4N37 A42 Y47N37-F45 HydrophobicContact CB-CE2 4.01Å; N37-F45 HydrophobicContact CB-CZ 3.85Å; N37-F45 WeakPolarHBondContact ND2-CZ 3.41Å; N37-F45 WeakPolarHBondContact OD1-CZ 3.26Å; A42-F45 HydrophobicContact CB-CE1 3.44Å; A42-F45 VanDerWaalsContact CB-CE1 3.44Å; A42-F45 HydrophobicContact CB-CE2 4.16Å; A42-F45 HydrophobicContact CB-CZ 3.17Å; F45-Y47 VanDerWaalsContact C-N 3.3Å; F45-Y47 HydrophobicContact CB-CD1 4.34Å; F45-Y47 HydrophobicContact CB-CD2 4.26Å; F45-Y47 HydrophobicContact CB-CE1 4.16Å; F45-Y47 HydrophobicContact CB-CE2 4.03Å; F45-Y47 HydrophobicContact CB-CG 4.4Å; F45-Y47 AromaticContact CD1-CE1 3.85Å; F45-Y47 HydrophobicContact CD1-CE1 3.85Å; F45-Y47 HydrophobicContact CD1-CE2 4.11Å; F45-Y47 AromaticContact CD1-CZ 3.44Å; F45-Y47 VanDerWaalsContact CD1-CZ 3.44Å; F45-Y47 WeakPolarHBondContact CD1-OH 3.31Å; F45-Y47 VanDerWaalsContact CE1-OH 3.24Å; F45-Y47 WeakPolarHBondContact CE1-OH 3.32Å; F45-Y47 HydrophobicContact CG-CE1 4.31Å; F45-Y47 HydrophobicContact CG-CE2 4.01Å; F45-Y47 AromaticContact CG-CZ 3.8Å
46D84.8Confident90.8Very high102 Ų10250.9 Ų50.955%0.54527%0.268SS..SBendtrans-91.310.7173.6-82.31.5000112.6K20 H44K20-D46 HydrophobicContact CD-CB 3.61Å; K20-D46 HydrophobicContact CG-CB 4.36Å; K20-D46 IonicContact NZ-OD2 2.69Å; K20-D46 PolarHBondContact NZ-OD2 2.82Å; H44-D46 IonicContact CD2-OD1 2.69Å; H44-D46 IonicContact NE2-OD1 3.23Å
47Y88.8Confident90.6Very high20 Ų2051.7 Ų51.78%0.07827%0.272CS..SBendtrans-128.9158.618055.9-104.7000111.2C19 K20 V35 F45 C49 D105C19-Y47 HydrophobicContact CB-CD1 4.48Å; C19-Y47 HydrophobicContact CB-CE1 4.13Å; K20-Y47 HydrophobicContact CB-CD1 4.04Å; V35-Y47 HydrophobicContact CB-CD2 3.87Å; V35-Y47 HydrophobicContact CB-CE2 4Å; V35-Y47 HydrophobicContact CG1-CD2 3.67Å; V35-Y47 HydrophobicContact CG1-CE1 4.38Å; V35-Y47 HydrophobicContact CG1-CE2 3.34Å; V35-Y47 HydrophobicContact CG1-CG 4.34Å; V35-Y47 HydrophobicContact CG2-CD2 4.36Å; F45-Y47 VanDerWaalsContact C-N 3.3Å; F45-Y47 HydrophobicContact CB-CD1 4.34Å; F45-Y47 HydrophobicContact CB-CD2 4.26Å; F45-Y47 HydrophobicContact CB-CE1 4.16Å; F45-Y47 HydrophobicContact CB-CE2 4.03Å; F45-Y47 HydrophobicContact CB-CG 4.4Å; F45-Y47 AromaticContact CD1-CE1 3.85Å; F45-Y47 HydrophobicContact CD1-CE1 3.85Å; F45-Y47 HydrophobicContact CD1-CE2 4.11Å; F45-Y47 AromaticContact CD1-CZ 3.44Å; F45-Y47 VanDerWaalsContact CD1-CZ 3.44Å; F45-Y47 WeakPolarHBondContact CD1-OH 3.31Å; F45-Y47 VanDerWaalsContact CE1-OH 3.24Å; F45-Y47 WeakPolarHBondContact CE1-OH 3.32Å; F45-Y47 HydrophobicContact CG-CE1 4.31Å; F45-Y47 HydrophobicContact CG-CE2 4.01Å; F45-Y47 AromaticContact CG-CZ 3.8Å; Y47-C49 PolarHBondContact O-N 3.31Å; Y47-D105 PolarHBondContact OH-OD2 3.31Å
48T88.8Confident90.5Very high131 Ų13152.4 Ų52.480%0.80428%0.277SS*.  trans-74.5114.3173.4-54.70000109.6
49C90.2Very high90.5Very high39 Ų3953.4 Ų53.426%0.26428%0.282SS..EExtended strand (participates in β ladder)trans-78.9125.4176.1-160.30000110.1N37 Y47 A51N37-C49 VanDerWaalsContact CB-SG 3.54Å; Y47-C49 PolarHBondContact O-N 3.31Å; C49-A51 VanDerWaalsContact SG-C 3.55Å; C49-A51 PolarHBondContact SG-O 3.42Å
50Y93.2Very high90.4Very high99 Ų9958.4 Ų58.439%0.38831%0.305SS..EExtended strand (participates in β ladder)trans-76.8-44.1175-176.9-101.6000111.4K34 V35 V36 E93 F102K34-Y50 HydrophobicContact CB-CD1 4.42Å; K34-Y50 HydrophobicContact CB-CD2 4.3Å; K34-Y50 HydrophobicContact CB-CG 4Å; K34-Y50 HydrophobicContact CD-CD1 4.36Å; K34-Y50 HydrophobicContact CD-CD2 3.94Å; K34-Y50 HydrophobicContact CD-CE1 4.23Å; K34-Y50 HydrophobicContact CD-CE2 3.84Å; K34-Y50 HydrophobicContact CD-CG 4.21Å; K34-Y50 HydrophobicContact CG-CD2 4.14Å; K34-Y50 HydrophobicContact CG-CE2 4.5Å; K34-Y50 HydrophobicContact CG-CG 4.33Å; V35-Y50 WeakPolarHBondContact O-CB 3.33Å; V35-Y50 PolarHBondContact O-N 2.64Å; V36-Y50 HydrophobicContact CG2-CD1 4.49Å; Y50-E93 VanDerWaalsContact CE1-O 3.24Å; Y50-E93 WeakPolarHBondContact CE1-O 3.47Å; Y50-F102 AromaticContact CD1-CE1 3.87Å; Y50-F102 HydrophobicContact CD1-CE1 3.87Å; Y50-F102 AromaticContact CE1-CE1 3.78Å; Y50-F102 HydrophobicContact CE1-CE1 3.78Å; Y50-F102 HydrophobicContact CE1-CZ 4.46Å
51A93.7Very high90.3Very high3 Ų362.8 Ų62.83%0.02533%0.328CS..EExtended strand (participates in β ladder)trans-142.9136.1175.500000109V36 N37 C49 E93V36-A51 CarbonylContact C-O 3.56Å; V36-A51 WeakPolarHBondContact CA-O 3.45Å; V36-A51 HydrophobicContact CG1-CB 4.11Å; V36-A51 HydrophobicContact CG2-CB 4.29Å; N37-A51 PolarHBondContact N-O 3.37Å; C49-A51 VanDerWaalsContact SG-C 3.55Å; C49-A51 PolarHBondContact SG-O 3.42Å; A51-E93 HydrophobicContact CB-CB 3.76Å; A51-E93 HydrophobicContact CB-CG 4.32Å
52D94.6Very high90.3Very high16 Ų1661.2 Ų61.29%0.08631%0.314CS..EExtended strand (participates in β ladder)trans-126.5115.4-172.2-169.3-17000110.8N37 R54 N55 W89N37-D52 PolarHBondContact ND2-OD1 3.38Å; D52-R54 PolarHBondContact O-N 2.85Å; D52-R54 VanDerWaalsContact OD1-CB 3.31Å; D52-R54 WeakPolarHBondContact OD1-CB 3.38Å; D52-R54 VanDerWaalsContact OD1-CG 3.31Å; D52-R54 WeakPolarHBondContact OD1-CG 3.12Å; D52-R54 PolarHBondContact OD1-N 2.88Å; D52-R54 IonicContact OD1-NE 3.36Å; D52-R54 PolarHBondContact OD1-NE 2.79Å; D52-R54 VanDerWaalsContact OD1-NE 3.16Å; D52-R54 IonicContact OD2-CZ 2.7Å; D52-R54 VanDerWaalsContact OD2-CZ 3.23Å; D52-R54 IonicContact OD2-NE 3.54Å; D52-R54 PolarHBondContact OD2-NE 3.22Å; D52-R54 IonicContact OD2-NH2 2.95Å; D52-R54 PolarHBondContact OD2-NH2 2.82Å; D52-N55 WeakPolarHBondContact O-CB 3.45Å; D52-N55 PolarHBondContact O-N 2.79Å; D52-W89 VanDerWaalsContact O-CZ2 3.3Å; D52-W89 WeakPolarHBondContact O-CZ2 3.44Å
53V94.4Very high90.5Very high0 Ų064.1 Ų64.10%033%0.327CS..G310 helixtrans-55.9-25.417969.50000112.5N37 P40 N55 L56 I57 L83 W89N37-V53 WeakPolarHBondContact O-CB 3.34Å; N37-V53 PolarHBondContact O-N 3.38Å; P40-V53 HydrophobicContact CB-CG1 4.09Å; V53-N55 PolarHBondContact O-N 2.83Å; V53-N55 VanDerWaalsContact O-N 3.15Å; V53-L56 WeakPolarHBondContact O-CA 3.3Å; V53-L56 WeakPolarHBondContact O-CB 3.43Å; V53-L56 PolarHBondContact O-N 3.48Å; V53-I57 HydrophobicContact CG2-CG2 4.32Å; V53-I57 PolarHBondContact O-N 3.26Å; V53-I57 VanDerWaalsContact O-O 3.08Å; V53-L83 HydrophobicContact CG2-CB 4.42Å; V53-L83 HydrophobicContact CG2-CD1 4.24Å; V53-L83 HydrophobicContact CG2-CD2 4.01Å; V53-L83 HydrophobicContact CG2-CG 4.45Å; V53-W89 HydrophobicContact CB-CH2 4.39Å
54R93.2Very high91Very high77 Ų7762.6 Ų62.629%0.29132%0.315SS..G310 helixtrans-62.6-21177.2-61.6178.5-60.11688.9112.8A42 D43 D52 L56A42-R54 WeakPolarHBondContact O-CD 3.29Å; A42-R54 PolarHBondContact O-NH1 2.73Å; D43-R54 PolarHBondContact O-NH1 3.09Å; D52-R54 PolarHBondContact O-N 2.85Å; D52-R54 VanDerWaalsContact OD1-CB 3.31Å; D52-R54 WeakPolarHBondContact OD1-CB 3.38Å; D52-R54 VanDerWaalsContact OD1-CG 3.31Å; D52-R54 WeakPolarHBondContact OD1-CG 3.12Å; D52-R54 PolarHBondContact OD1-N 2.88Å; D52-R54 IonicContact OD1-NE 3.36Å; D52-R54 PolarHBondContact OD1-NE 2.79Å; D52-R54 VanDerWaalsContact OD1-NE 3.16Å; D52-R54 IonicContact OD2-CZ 2.7Å; D52-R54 VanDerWaalsContact OD2-CZ 3.23Å; D52-R54 IonicContact OD2-NE 3.54Å; D52-R54 PolarHBondContact OD2-NE 3.22Å; D52-R54 IonicContact OD2-NH2 2.95Å; D52-R54 PolarHBondContact OD2-NH2 2.82Å; R54-L56 VanDerWaalsContact C-N 3.3Å
55N92.8Very high91.5Very high125 Ų12559 Ų5967%0.66830%0.3SS*.G310 helixtrans-73.5-22.6172.4-63.9-28.2000112.7D52 V53D52-N55 WeakPolarHBondContact O-CB 3.45Å; D52-N55 PolarHBondContact O-N 2.79Å; V53-N55 PolarHBondContact O-N 2.83Å; V53-N55 VanDerWaalsContact O-N 3.15Å
56L93.1Very high91.6Very high43 Ų4366.2 Ų66.223%0.22534%0.335CS..THydrogen-bonded Turntrans-91.7-51.3173.7176.368.1000111V53 R54 Y82 L83 N86 W89V53-L56 WeakPolarHBondContact O-CA 3.3Å; V53-L56 WeakPolarHBondContact O-CB 3.43Å; V53-L56 PolarHBondContact O-N 3.48Å; R54-L56 VanDerWaalsContact C-N 3.3Å; L56-Y82 HydrophobicContact CD1-CE1 3.89Å; L56-Y82 HydrophobicContact CD2-CD1 4.37Å; L56-Y82 HydrophobicContact CG-CD1 4.17Å; L56-Y82 HydrophobicContact CG-CE1 3.95Å; L56-L83 HydrophobicContact CD2-CB 4.44Å; L56-L83 HydrophobicContact CD2-CD1 3.77Å; L56-N86 HydrophobicContact CD1-CB 4.36Å; L56-N86 HydrophobicContact CD2-CB 4.2Å; L56-W89 HydrophobicContact CB-CD2 4.04Å; L56-W89 HydrophobicContact CB-CG 4.32Å; L56-W89 HydrophobicContact CB-CZ2 4.45Å; L56-W89 HydrophobicContact CD1-CB 4.38Å; L56-W89 HydrophobicContact CD1-CG 4.21Å; L56-W89 HydrophobicContact CD2-CB 4.3Å; L56-W89 HydrophobicContact CD2-CD2 4.06Å; L56-W89 HydrophobicContact CD2-CE3 4.07Å; L56-W89 HydrophobicContact CD2-CG 4.16Å; L56-W89 HydrophobicContact CG-CG 4.47Å
57I93.3Very high91.9Very high16 Ų1666 Ų668%0.08234%0.341CS..  trans-156.3129.4-179.2-171.6158.5000110.8P40 V53 V62 F78 C79 Y82P40-I57 WeakPolarHBondContact CB-O 3.3Å; V53-I57 HydrophobicContact CG2-CG2 4.32Å; V53-I57 PolarHBondContact O-N 3.26Å; V53-I57 VanDerWaalsContact O-O 3.08Å; I57-V62 HydrophobicContact CD1-CG2 3.69Å; I57-V62 HydrophobicContact CG1-CG2 3.8Å; I57-F78 HydrophobicContact CD1-CD1 4.04Å; I57-F78 HydrophobicContact CD1-CE1 3.84Å; I57-C79 HydrophobicContact CG1-CB 4.4Å; I57-C79 HydrophobicContact CG2-CB 4.15Å; I57-Y82 HydrophobicContact CB-CD1 3.87Å; I57-Y82 HydrophobicContact CB-CE1 4.32Å; I57-Y82 HydrophobicContact CD1-CD1 3.69Å; I57-Y82 HydrophobicContact CD1-CD2 4.29Å; I57-Y82 HydrophobicContact CD1-CE1 4.38Å; I57-Y82 HydrophobicContact CD1-CG 3.62Å; I57-Y82 HydrophobicContact CG1-CD1 4.39Å; I57-Y82 HydrophobicContact CG2-CD1 3.88Å
58S93.6Very high91.9Very high15 Ų1567.5 Ų67.511%0.10535%0.35CS..  trans-107.6152.7174.3820000111.3E60 D61 V62S58-E60 VanDerWaalsContact C-N 3.25Å; S58-E60 PolarHBondContact O-N 2.94Å; S58-D61 WeakPolarHBondContact OG-CB 3.27Å; S58-D61 PolarHBondContact OG-N 2.94Å; S58-D61 VanDerWaalsContact OG-N 3.09Å; S58-D61 PolarHBondContact OG-OD2 3.37Å; S58-V62 WeakPolarHBondContact O-CG2 3.24Å; S58-V62 PolarHBondContact O-N 2.84Å
59L93Very high91.9Very high22 Ų2266.8 Ų66.812%0.11535%0.349CS..Hα-helixtrans-65.6-33.9174.3179.761.6000111.3P40 A41 V62 I63 G75 L76P40-L59 WeakPolarHBondContact O-CB 3.26Å; P40-L59 PolarHBondContact O-N 3.35Å; A41-L59 HydrophobicContact CB-CB 4.12Å; A41-L59 HydrophobicContact CB-CD2 3.45Å; A41-L59 VanDerWaalsContact CB-CD2 3.45Å; A41-L59 HydrophobicContact CB-CG 4.41Å; L59-V62 PolarHBondContact O-N 3.28Å; L59-I63 HydrophobicContact CD1-CD1 3.89Å; L59-I63 HydrophobicContact CD1-CG1 4.04Å; L59-I63 HydrophobicContact CD2-CD1 4.15Å; L59-I63 HydrophobicContact CG-CD1 3.68Å; L59-I63 HydrophobicContact CG-CG1 4.25Å; L59-I63 VanDerWaalsContact O-CG1 3.31Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 3.23Å; L59-G75 VanDerWaalsContact CD1-C 3.41Å; L59-L76 HydrophobicContact CD1-CB 4.42Å; L59-L76 VanDerWaalsContact CD1-N 3.34Å
60E92Very high91.9Very high129 Ų12967.7 Ų67.760%0.60335%0.351SS*.Hα-helixtrans-60.6-48.1178.5-176.8173.4-175.500111.1S58 V62 I63 Q64S58-E60 VanDerWaalsContact C-N 3.25Å; S58-E60 PolarHBondContact O-N 2.94Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 2.86Å; E60-I63 PolarHBondContact O-N 3.36Å; E60-Q64 HydrophobicContact CG-CG 4.5Å; E60-Q64 VanDerWaalsContact CG-NE2 3.28Å; E60-Q64 WeakPolarHBondContact O-CB 3.35Å; E60-Q64 VanDerWaalsContact O-CG 3.3Å; E60-Q64 WeakPolarHBondContact O-CG 3.38Å; E60-Q64 PolarHBondContact O-N 3.25Å; E60-Q64 PolarHBondContact OE1-NE2 3.42Å
61D91.3Very high91.8Very high97 Ų9765 Ų6552%0.51935%0.354SS..Hα-helixtrans-61.7-41178.9-63.2-41.3000111.7S58 Q64 D65S58-D61 WeakPolarHBondContact OG-CB 3.27Å; S58-D61 PolarHBondContact OG-N 2.94Å; S58-D61 VanDerWaalsContact OG-N 3.09Å; S58-D61 PolarHBondContact OG-OD2 3.37Å; D61-Q64 PolarHBondContact O-N 2.83Å; D61-D65 PolarHBondContact O-N 3.5Å; D61-D65 VanDerWaalsContact O-N 3.1Å
62V92.7Very high91.6Very high7 Ų768.8 Ų68.84%0.04238%0.378CS..Hα-helixtrans-67.1-37179.6171.30000112.3I57 S58 L59 E60 L68 L70 F78I57-V62 HydrophobicContact CD1-CG2 3.69Å; I57-V62 HydrophobicContact CG1-CG2 3.8Å; S58-V62 WeakPolarHBondContact O-CG2 3.24Å; S58-V62 PolarHBondContact O-N 2.84Å; L59-V62 PolarHBondContact O-N 3.28Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 2.86Å; V62-L68 HydrophobicContact CB-CD1 4.49Å; V62-L68 HydrophobicContact CG1-CD1 3.88Å; V62-L70 HydrophobicContact CG1-CD1 4.17Å; V62-F78 HydrophobicContact CG1-CB 4.43Å; V62-F78 HydrophobicContact CG1-CD1 3.85Å; V62-F78 HydrophobicContact CG1-CG 4.39Å; V62-F78 HydrophobicContact CG2-CD1 3.77Å; V62-F78 HydrophobicContact CG2-CE1 4.07Å
63I91Very high91.3Very high77 Ų7773.1 Ų73.140%0.39540%0.401SS..Hα-helixtrans-73.6-34.7177.1-69.1172.2000111.1L59 E60 D65 P72L59-I63 HydrophobicContact CD1-CD1 3.89Å; L59-I63 HydrophobicContact CD1-CG1 4.04Å; L59-I63 HydrophobicContact CD2-CD1 4.15Å; L59-I63 HydrophobicContact CG-CD1 3.68Å; L59-I63 HydrophobicContact CG-CG1 4.25Å; L59-I63 VanDerWaalsContact O-CG1 3.31Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 3.23Å; E60-I63 PolarHBondContact O-N 3.36Å; I63-D65 VanDerWaalsContact C-N 3.3Å; I63-P72 HydrophobicContact CD1-CB 4.37Å; I63-P72 HydrophobicContact CD1-CG 4.34Å
64Q91.4Very high91.1Very high124 Ų12474.6 Ų74.658%0.57942%0.416SS*.Hα-helixtrans-74.2-20.4178.8-71.1-179.615.400113E60 D61 E66E60-Q64 HydrophobicContact CG-CG 4.5Å; E60-Q64 VanDerWaalsContact CG-NE2 3.28Å; E60-Q64 WeakPolarHBondContact O-CB 3.35Å; E60-Q64 VanDerWaalsContact O-CG 3.3Å; E60-Q64 WeakPolarHBondContact O-CG 3.38Å; E60-Q64 PolarHBondContact O-N 3.25Å; E60-Q64 PolarHBondContact OE1-NE2 3.42Å; D61-Q64 PolarHBondContact O-N 2.83Å; Q64-E66 PolarHBondContact O-N 3.17Å
65D91.3Very high91.1Very high72 Ų7270.9 Ų70.939%0.38540%0.402SS..  trans-72.199174.8-167.6-21.2000111.5D61 I63 S67 L68D61-D65 PolarHBondContact O-N 3.5Å; D61-D65 VanDerWaalsContact O-N 3.1Å; I63-D65 VanDerWaalsContact C-N 3.3Å; D65-S67 VanDerWaalsContact CG-OG 3.25Å; D65-S67 PolarHBondContact O-N 2.97Å; D65-S67 WeakPolarHBondContact OD1-CA 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 3.49Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 3.02Å; D65-L68 HydrophobicContact CB-CD1 4.06Å; D65-L68 HydrophobicContact CB-CG 4.17Å; D65-L68 PolarHBondContact O-N 3.27Å; D65-L68 VanDerWaalsContact O-N 3.1Å
66E87.4Confident91Very high177 Ų17765.4 Ų65.483%0.82737%0.372SS*.THydrogen-bonded Turntrans-56.7-22.4177.1-64.2-174.2172.900113.2Q64 C69Q64-E66 PolarHBondContact O-N 3.17Å; E66-C69 PolarHBondContact O-SG 2.96Å
67S89.3Confident91Very high96 Ų9665.9 Ų65.967%0.67138%0.377SS*.THydrogen-bonded Turntrans-73.7-27.2179.8780000113.3D65D65-S67 VanDerWaalsContact CG-OG 3.25Å; D65-S67 PolarHBondContact O-N 2.97Å; D65-S67 WeakPolarHBondContact OD1-CA 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 3.49Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 3.02Å
68L90.5Very high91Very high53 Ų5368.2 Ų68.228%0.27739%0.387SS..THydrogen-bonded Turntrans-82.9-32.1-178.6-64.7178.8000112V62 D65 L70 F78V62-L68 HydrophobicContact CB-CD1 4.49Å; V62-L68 HydrophobicContact CG1-CD1 3.88Å; D65-L68 HydrophobicContact CB-CD1 4.06Å; D65-L68 HydrophobicContact CB-CG 4.17Å; D65-L68 PolarHBondContact O-N 3.27Å; D65-L68 VanDerWaalsContact O-N 3.1Å; L68-L70 HydrophobicContact CB-CD1 4.11Å; L68-L70 HydrophobicContact CB-CG 4.03Å; L68-L70 PolarHBondContact O-N 3.45Å; L68-F78 HydrophobicContact CD1-CD1 4.32Å; L68-F78 HydrophobicContact CD1-CE1 3.94Å; L68-F78 HydrophobicContact CD1-CZ 4.07Å; L68-F78 HydrophobicContact CD2-CE2 4.13Å; L68-F78 HydrophobicContact CD2-CZ 4.14Å
69C87.5Confident91Very high115 Ų11567.5 Ų67.578%0.77738%0.382SS*.  trans52.136.3-178.8-71.30000113.3E66E66-C69 PolarHBondContact O-SG 2.96Å
70L90.7Very high91.1Very high59 Ų5966.5 Ų66.531%0.30938%0.377SS..  trans-95.5137.6-177.4-64.1175.7000111.8V62 L68 F78V62-L70 HydrophobicContact CG1-CD1 4.17Å; L68-L70 HydrophobicContact CB-CD1 4.11Å; L68-L70 HydrophobicContact CB-CG 4.03Å; L68-L70 PolarHBondContact O-N 3.45Å; L70-F78 HydrophobicContact CD1-CB 3.7Å; L70-F78 HydrophobicContact CD1-CD2 4.16Å; L70-F78 HydrophobicContact CD1-CG 3.97Å
71G90.6Very high91.1Very high43 Ų4364.6 Ų64.644%0.44337%0.368SS..  trans-78.7174.2166.100000111.8N73 G74 G75G71-N73 PolarHBondContact O-N 3.34Å; G71-G74 PolarHBondContact O-N 2.87Å; G71-G75 PolarHBondContact O-N 3.35Å
72P89Confident91.3Very high82 Ų8264.1 Ų64.153%0.53236%0.359SS..Hα-helixtrans-54-44.1-172.8-2834.5000115.1I63 L76I63-P72 HydrophobicContact CD1-CB 4.37Å; I63-P72 HydrophobicContact CD1-CG 4.34Å; P72-L76 WeakPolarHBondContact O-CB 3.36Å; P72-L76 PolarHBondContact O-N 2.84Å
73N89.3Confident91.4Very high106 Ų10663.8 Ų63.857%0.56736%0.357SS*.Hα-helixtrans-69.9-39.1178.7-66.7-8.7000112.2G71 L76 V77G71-N73 PolarHBondContact O-N 3.34Å; N73-L76 PolarHBondContact O-N 3.27Å; N73-V77 WeakPolarHBondContact O-CG2 3.25Å; N73-V77 PolarHBondContact O-N 2.86Å; N73-V77 VanDerWaalsContact O-N 3.12Å
74G89.8Confident91.5Very high31 Ų3160.5 Ų60.532%0.3234%0.341SS..Hα-helixtrans-68.5-39.6177.200000111.7G71 L76 V77 F78G71-G74 PolarHBondContact O-N 2.87Å; G74-L76 VanDerWaalsContact C-N 3.35Å; G74-V77 PolarHBondContact O-N 3.48Å; G74-F78 WeakPolarHBondContact O-CB 3.4Å; G74-F78 PolarHBondContact O-N 2.89Å
75G92.6Very high91.5Very high0 Ų061.7 Ų61.70%035%0.347CS..Hα-helixtrans-61.8-42.8173.600000111.5L59 G71 V77 F78 C79L59-G75 VanDerWaalsContact CD1-C 3.41Å; G71-G75 PolarHBondContact O-N 3.35Å; G75-V77 PolarHBondContact O-N 2.84Å; G75-F78 WeakPolarHBondContact O-CB 3.36Å; G75-F78 PolarHBondContact O-N 2.93Å; G75-C79 PolarHBondContact O-N 3.08Å; G75-C79 PolarHBondContact O-SG 3Å
76L92.2Very high91.7Very high9 Ų961 Ų615%0.04734%0.343CS..Hα-helixtrans-62.7-45.7177.5-174.972.1000112.1P40 A41 L59 P72 N73 G74 F78 C79 M80 P107 Q109 L112P40-L76 HydrophobicContact CG-CD1 3.5Å; P40-L76 VanDerWaalsContact CG-CD1 3.5Å; A41-L76 HydrophobicContact CB-CD1 4.19Å; L59-L76 HydrophobicContact CD1-CB 4.42Å; L59-L76 VanDerWaalsContact CD1-N 3.34Å; P72-L76 WeakPolarHBondContact O-CB 3.36Å; P72-L76 PolarHBondContact O-N 2.84Å; N73-L76 PolarHBondContact O-N 3.27Å; G74-L76 VanDerWaalsContact C-N 3.35Å; L76-F78 VanDerWaalsContact C-N 3.28Å; L76-F78 PolarHBondContact O-N 3.46Å; L76-C79 PolarHBondContact O-N 2.83Å; L76-M80 WeakPolarHBondContact O-CG 3.25Å; L76-M80 PolarHBondContact O-N 3.01Å; L76-P107 HydrophobicContact CD1-CB 4.15Å; L76-P107 HydrophobicContact CD1-CG 4.4Å; L76-P107 HydrophobicContact CD2-CB 4.1Å; L76-Q109 HydrophobicContact CD2-CB 3.77Å; L76-Q109 HydrophobicContact CD2-CG 3.17Å; L76-L112 HydrophobicContact CD2-CD1 3.92Å; L76-L112 HydrophobicContact CG-CD1 4.29Å
77V91.7Very high92Very high54 Ų5453.1 Ų53.133%0.32731%0.307SS..Hα-helixtrans-59.2-44.2175.51730000110.2N73 G74 G75 C79 M80 E81 L112N73-V77 WeakPolarHBondContact O-CG2 3.25Å; N73-V77 PolarHBondContact O-N 2.86Å; N73-V77 VanDerWaalsContact O-N 3.12Å; G74-V77 PolarHBondContact O-N 3.48Å; G75-V77 PolarHBondContact O-N 2.84Å; V77-C79 PolarHBondContact O-N 2.88Å; V77-M80 PolarHBondContact O-N 2.86Å; V77-E81 HydrophobicContact CG1-CG 4.3Å; V77-E81 WeakPolarHBondContact O-CG 3.39Å; V77-E81 PolarHBondContact O-N 3.37Å; V77-L112 HydrophobicContact CG2-CD2 4.17Å
78F93.2Very high92.1Very high65 Ų6553.6 Ų53.629%0.28530%0.302SS..Hα-helixtrans-59.9-45.3176.3-179.4-88.7000112.5I57 V62 L68 L70 G74 G75 L76 M80 E81 Y82I57-F78 HydrophobicContact CD1-CD1 4.04Å; I57-F78 HydrophobicContact CD1-CE1 3.84Å; V62-F78 HydrophobicContact CG1-CB 4.43Å; V62-F78 HydrophobicContact CG1-CD1 3.85Å; V62-F78 HydrophobicContact CG1-CG 4.39Å; V62-F78 HydrophobicContact CG2-CD1 3.77Å; V62-F78 HydrophobicContact CG2-CE1 4.07Å; L68-F78 HydrophobicContact CD1-CD1 4.32Å; L68-F78 HydrophobicContact CD1-CE1 3.94Å; L68-F78 HydrophobicContact CD1-CZ 4.07Å; L68-F78 HydrophobicContact CD2-CE2 4.13Å; L68-F78 HydrophobicContact CD2-CZ 4.14Å; L70-F78 HydrophobicContact CD1-CB 3.7Å; L70-F78 HydrophobicContact CD1-CD2 4.16Å; L70-F78 HydrophobicContact CD1-CG 3.97Å; G74-F78 WeakPolarHBondContact O-CB 3.4Å; G74-F78 PolarHBondContact O-N 2.89Å; G75-F78 WeakPolarHBondContact O-CB 3.36Å; G75-F78 PolarHBondContact O-N 2.93Å; L76-F78 VanDerWaalsContact C-N 3.28Å; L76-F78 PolarHBondContact O-N 3.46Å; F78-M80 VanDerWaalsContact C-N 3.28Å; F78-M80 PolarHBondContact O-N 3.19Å; F78-E81 PolarHBondContact O-N 2.97Å; F78-Y82 WeakPolarHBondContact O-CB 3.44Å; F78-Y82 PolarHBondContact O-N 2.79Å
79C94.5Very high92.3Very high0 Ų052.5 Ų52.50%029%0.294CS..Hα-helixtrans-56.9-44.6175.7-63.60000111.5P40 I57 G75 L76 V77 Y82 L83P40-C79 HydrophobicContact CB-CB 3.89Å; P40-C79 HydrophobicContact CG-CB 3.53Å; I57-C79 HydrophobicContact CG1-CB 4.4Å; I57-C79 HydrophobicContact CG2-CB 4.15Å; G75-C79 PolarHBondContact O-N 3.08Å; G75-C79 PolarHBondContact O-SG 3Å; L76-C79 PolarHBondContact O-N 2.83Å; V77-C79 PolarHBondContact O-N 2.88Å; C79-Y82 PolarHBondContact O-N 3.49Å; C79-L83 PolarHBondContact O-N 3.05Å
80M94.2Very high92.5Very high0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-69.5-40.3-179.8-64.5-57.2-60.500111.7L76 V77 F78 Y82 L83 A84 P107 L112 V118 M119 I122L76-M80 WeakPolarHBondContact O-CG 3.25Å; L76-M80 PolarHBondContact O-N 3.01Å; V77-M80 PolarHBondContact O-N 2.86Å; F78-M80 VanDerWaalsContact C-N 3.28Å; F78-M80 PolarHBondContact O-N 3.19Å; M80-Y82 VanDerWaalsContact C-N 3.32Å; M80-Y82 PolarHBondContact O-N 2.7Å; M80-L83 HydrophobicContact CE-CD2 4.21Å; M80-L83 PolarHBondContact O-N 3.45Å; M80-A84 PolarHBondContact O-N 3.01Å; M80-P107 HydrophobicContact CE-CG 4.25Å; M80-P107 HydrophobicContact CG-CG 4.29Å; M80-P107 HydrophobicContact SD-CG 3.63Å; M80-L112 HydrophobicContact CB-CD2 4.35Å; M80-L112 HydrophobicContact CG-CD1 4.03Å; M80-L112 HydrophobicContact CG-CD2 4.15Å; M80-V118 HydrophobicContact CB-CG1 3.66Å; M80-V118 WeakPolarHBondContact O-CG1 3.37Å; M80-M119 HydrophobicContact CE-SD 3.56Å; M80-M119 VanDerWaalsContact CE-SD 3.56Å; M80-I122 HydrophobicContact CE-CD1 3.79Å
81E92.9Very high92.5Very high89 Ų8947.9 Ų47.942%0.41626%0.259SS..Hα-helixtrans-62.1-40.5173.4-74.4179168.100111.5V77 F78 A84 Q85 V118V77-E81 HydrophobicContact CG1-CG 4.3Å; V77-E81 WeakPolarHBondContact O-CG 3.39Å; V77-E81 PolarHBondContact O-N 3.37Å; F78-E81 PolarHBondContact O-N 2.97Å; E81-A84 PolarHBondContact O-N 3.48Å; E81-Q85 WeakPolarHBondContact O-CG 3.44Å; E81-Q85 PolarHBondContact O-N 2.78Å; E81-V118 HydrophobicContact CG-CG2 3.75Å
82Y94.7Very high92.6Very high88 Ų8853 Ų5335%0.34527%0.272SS..Hα-helixtrans-64.2-43.1175.9-170.8-93.9000111.7L56 I57 F78 C79 M80 A84 Q85 N86L56-Y82 HydrophobicContact CD1-CE1 3.89Å; L56-Y82 HydrophobicContact CD2-CD1 4.37Å; L56-Y82 HydrophobicContact CG-CD1 4.17Å; L56-Y82 HydrophobicContact CG-CE1 3.95Å; I57-Y82 HydrophobicContact CB-CD1 3.87Å; I57-Y82 HydrophobicContact CB-CE1 4.32Å; I57-Y82 HydrophobicContact CD1-CD1 3.69Å; I57-Y82 HydrophobicContact CD1-CD2 4.29Å; I57-Y82 HydrophobicContact CD1-CE1 4.38Å; I57-Y82 HydrophobicContact CD1-CG 3.62Å; I57-Y82 HydrophobicContact CG1-CD1 4.39Å; I57-Y82 HydrophobicContact CG2-CD1 3.88Å; F78-Y82 WeakPolarHBondContact O-CB 3.44Å; F78-Y82 PolarHBondContact O-N 2.79Å; C79-Y82 PolarHBondContact O-N 3.49Å; M80-Y82 VanDerWaalsContact C-N 3.32Å; M80-Y82 PolarHBondContact O-N 2.7Å; Y82-A84 VanDerWaalsContact C-N 3.34Å; Y82-A84 PolarHBondContact O-N 2.75Å; Y82-Q85 PolarHBondContact O-N 2.71Å; Y82-N86 PolarHBondContact O-N 2.92Å; Y82-N86 VanDerWaalsContact O-N 3.09Å; Y82-N86 PolarHBondContact O-ND2 2.97Å
83L94.6Very high92.7Very high0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-58.4-45.8171.7172.863.3000111.2L38 V53 L56 C79 M80 Q85 N86 L87 W89 I122L38-L83 HydrophobicContact CD2-CD2 4.03Å; V53-L83 HydrophobicContact CG2-CB 4.42Å; V53-L83 HydrophobicContact CG2-CD1 4.24Å; V53-L83 HydrophobicContact CG2-CD2 4.01Å; V53-L83 HydrophobicContact CG2-CG 4.45Å; L56-L83 HydrophobicContact CD2-CB 4.44Å; L56-L83 HydrophobicContact CD2-CD1 3.77Å; C79-L83 PolarHBondContact O-N 3.05Å; M80-L83 HydrophobicContact CE-CD2 4.21Å; M80-L83 PolarHBondContact O-N 3.45Å; L83-Q85 PolarHBondContact O-N 3.09Å; L83-N86 CarbonylContact O-C 3.59Å; L83-N86 VanDerWaalsContact O-C 3.28Å; L83-N86 PolarHBondContact O-N 2.59Å; L83-L87 PolarHBondContact O-N 3.46Å; L83-W89 HydrophobicContact CD1-CE3 3.81Å; L83-W89 HydrophobicContact CD1-CZ3 4.05Å; L83-I122 HydrophobicContact CD2-CD1 3.77Å; L83-I122 HydrophobicContact CG-CD1 4.28Å
84A93.1Very high92.9Very high7 Ų747.4 Ų47.46%0.05824%0.235CC..Hα-helixtrans-67.3-21.3178.900000114.1M80 E81 Y82 L87 V118 M121M80-A84 PolarHBondContact O-N 3.01Å; E81-A84 PolarHBondContact O-N 3.48Å; Y82-A84 VanDerWaalsContact C-N 3.34Å; Y82-A84 PolarHBondContact O-N 2.75Å; A84-L87 WeakPolarHBondContact O-CD1 3.25Å; A84-L87 WeakPolarHBondContact O-CG 3.28Å; A84-V118 HydrophobicContact CB-CG1 3.83Å; A84-M121 HydrophobicContact CB-CB 4.44Å; A84-M121 HydrophobicContact CB-CE 4.17Å; A84-M121 HydrophobicContact CB-SD 4.39Å
85Q93.4Very high92.8Very high150 Ų15047.3 Ų47.370%0.70123%0.234SC*.Hα-helixtrans-82.9-22.1171-71.4175.519.100112.9E81 Y82 L83E81-Q85 WeakPolarHBondContact O-CG 3.44Å; E81-Q85 PolarHBondContact O-N 2.78Å; Y82-Q85 PolarHBondContact O-N 2.71Å; L83-Q85 PolarHBondContact O-N 3.09Å
86N94.2Very high92.3Very high57 Ų5757.1 Ų57.131%0.30528%0.28SS..  trans-11740-176.5-64.4-81.1000111.6L56 Y82 L83 N88 W89L56-N86 HydrophobicContact CD1-CB 4.36Å; L56-N86 HydrophobicContact CD2-CB 4.2Å; Y82-N86 PolarHBondContact O-N 2.92Å; Y82-N86 VanDerWaalsContact O-N 3.09Å; Y82-N86 PolarHBondContact O-ND2 2.97Å; L83-N86 CarbonylContact O-C 3.59Å; L83-N86 VanDerWaalsContact O-C 3.28Å; L83-N86 PolarHBondContact O-N 2.59Å; N86-N88 PolarHBondContact O-N 3.34Å; N86-N88 VanDerWaalsContact O-N 3.1Å; N86-W89 VanDerWaalsContact O-CB 3.28Å; N86-W89 WeakPolarHBondContact O-CB 3.4Å; N86-W89 PolarHBondContact O-N 3.43Å
87L93.2Very high91.6Very high12 Ų1257.8 Ų57.86%0.06329%0.289CS..Hα-helixtrans-59-24.9-176.7-73.8166.7000113.8L83 A84 W89 L90 E91 I122 E125L83-L87 PolarHBondContact O-N 3.46Å; A84-L87 WeakPolarHBondContact O-CD1 3.25Å; A84-L87 WeakPolarHBondContact O-CG 3.28Å; L87-W89 PolarHBondContact O-N 3.21Å; L87-L90 WeakPolarHBondContact O-CA 3.4Å; L87-L90 VanDerWaalsContact O-CB 3.3Å; L87-L90 WeakPolarHBondContact O-CB 3.34Å; L87-L90 PolarHBondContact O-N 3.22Å; L87-E91 PolarHBondContact O-N 3.49Å; L87-I122 HydrophobicContact CD2-CB 4.43Å; L87-I122 HydrophobicContact CD2-CG1 3.87Å; L87-E125 HydrophobicContact CB-CG 4.03Å; L87-E125 HydrophobicContact CD1-CB 3.99Å; L87-E125 HydrophobicContact CD1-CG 4.26Å; L87-E125 HydrophobicContact CD2-CB 4.27Å; L87-E125 HydrophobicContact CG-CG 4.49Å
88N92.7Very high91.1Very high105 Ų10561.5 Ų61.556%0.56131%0.307SS*.Hα-helixtrans-54.1-33.4172.2-61.6-2.6000112.6N86 L90 E91 E92N86-N88 PolarHBondContact O-N 3.34Å; N86-N88 VanDerWaalsContact O-N 3.1Å; N88-L90 VanDerWaalsContact C-N 3.27Å; N88-L90 PolarHBondContact O-N 3.05Å; N88-E91 WeakPolarHBondContact O-CB 3.41Å; N88-E91 PolarHBondContact O-N 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.45Å; N88-E92 PolarHBondContact O-N 3.45Å
89W93.9Very high90.5Very high31 Ų3160.1 Ų60.112%0.11730%0.302CS..Hα-helixtrans-59.2-41.4174.7172.778.5000111.2D52 V53 L56 L83 N86 L87 E91 E92 E93D52-W89 VanDerWaalsContact O-CZ2 3.3Å; D52-W89 WeakPolarHBondContact O-CZ2 3.44Å; V53-W89 HydrophobicContact CB-CH2 4.39Å; L56-W89 HydrophobicContact CB-CD2 4.04Å; L56-W89 HydrophobicContact CB-CG 4.32Å; L56-W89 HydrophobicContact CB-CZ2 4.45Å; L56-W89 HydrophobicContact CD1-CB 4.38Å; L56-W89 HydrophobicContact CD1-CG 4.21Å; L56-W89 HydrophobicContact CD2-CB 4.3Å; L56-W89 HydrophobicContact CD2-CD2 4.06Å; L56-W89 HydrophobicContact CD2-CE3 4.07Å; L56-W89 HydrophobicContact CD2-CG 4.16Å; L56-W89 HydrophobicContact CG-CG 4.47Å; L83-W89 HydrophobicContact CD1-CE3 3.81Å; L83-W89 HydrophobicContact CD1-CZ3 4.05Å; N86-W89 VanDerWaalsContact O-CB 3.28Å; N86-W89 WeakPolarHBondContact O-CB 3.4Å; N86-W89 PolarHBondContact O-N 3.43Å; L87-W89 PolarHBondContact O-N 3.21Å; W89-E91 VanDerWaalsContact C-N 3.33Å; W89-E91 PolarHBondContact O-N 3.37Å; W89-E92 PolarHBondContact O-N 3.29Å; W89-E93 HydrophobicContact CD2-CG 4.02Å; W89-E93 VanDerWaalsContact CE2-CG 3.47Å; W89-E93 HydrophobicContact CG-CG 4.4Å; W89-E93 HydrophobicContact CH2-CG 4.3Å; W89-E93 HydrophobicContact CZ2-CG 3.66Å; W89-E93 WeakPolarHBondContact O-CB 3.34Å; W89-E93 VanDerWaalsContact O-CG 3.29Å; W89-E93 WeakPolarHBondContact O-CG 3.47Å; W89-E93 PolarHBondContact O-N 2.85Å
90L91.7Very high90.3Very high0 Ų061.5 Ų61.50%031%0.31CS..Hα-helixtrans-66.5-38177.7-171.263.8000110.9V36 L38 L87 N88 L94 F104 I122 L126V36-L90 HydrophobicContact CG1-CD1 4.36Å; L38-L90 HydrophobicContact CD2-CD1 4.46Å; L87-L90 WeakPolarHBondContact O-CA 3.4Å; L87-L90 VanDerWaalsContact O-CB 3.3Å; L87-L90 WeakPolarHBondContact O-CB 3.34Å; L87-L90 PolarHBondContact O-N 3.22Å; N88-L90 VanDerWaalsContact C-N 3.27Å; N88-L90 PolarHBondContact O-N 3.05Å; L90-L94 HydrophobicContact CD1-CD1 3.86Å; L90-L94 HydrophobicContact CD1-CG 3.96Å; L90-L94 HydrophobicContact CD2-CD1 4.33Å; L90-L94 HydrophobicContact CG-CD1 3.64Å; L90-L94 HydrophobicContact CG-CG 4.15Å; L90-L94 WeakPolarHBondContact O-CB 3.27Å; L90-L94 WeakPolarHBondContact O-CD1 3.48Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 2.86Å; L90-F104 HydrophobicContact CD1-CE1 4.49Å; L90-I122 HydrophobicContact CD2-CG2 4.23Å; L90-L126 HydrophobicContact CD2-CD2 3.79Å; L90-L126 HydrophobicContact CD2-CG 4.33Å
91E91.1Very high90.2Very high76 Ų7661.5 Ų61.536%0.35531%0.31SS..Hα-helixtrans-62.9-44.4175.4-47.6-165.8144.500111.8L87 N88 W89 G95 M129L87-E91 PolarHBondContact O-N 3.49Å; N88-E91 WeakPolarHBondContact O-CB 3.41Å; N88-E91 PolarHBondContact O-N 3.28Å; W89-E91 VanDerWaalsContact C-N 3.33Å; W89-E91 PolarHBondContact O-N 3.37Å; E91-G95 PolarHBondContact O-N 2.88Å; E91-M129 HydrophobicContact CB-SD 3.88Å; E91-M129 HydrophobicContact CG-CG 4.35Å; E91-M129 HydrophobicContact CG-SD 3.58Å; E91-M129 VanDerWaalsContact CG-SD 3.58Å
92E92.2Very high90.4Very high151 Ų15157.3 Ų57.371%0.70629%0.29SS*.Hα-helixtrans-64.1-47.2179-72.4177.5-172.300112.1N88 W89 G95N88-E92 WeakPolarHBondContact O-CG 3.45Å; N88-E92 PolarHBondContact O-N 3.45Å; W89-E92 PolarHBondContact O-N 3.29Å; E92-G95 PolarHBondContact O-N 3.32Å
93E92.5Very high90.5Very high69 Ų6953.1 Ų53.132%0.32227%0.274SS..Hα-helixtrans-69.1-37.1-179.6-70.7-68.9142.100112.5Y50 A51 W89 G95Y50-E93 VanDerWaalsContact CE1-O 3.24Å; Y50-E93 WeakPolarHBondContact CE1-O 3.47Å; A51-E93 HydrophobicContact CB-CB 3.76Å; A51-E93 HydrophobicContact CB-CG 4.32Å; W89-E93 HydrophobicContact CD2-CG 4.02Å; W89-E93 VanDerWaalsContact CE2-CG 3.47Å; W89-E93 HydrophobicContact CG-CG 4.4Å; W89-E93 HydrophobicContact CH2-CG 4.3Å; W89-E93 HydrophobicContact CZ2-CG 3.66Å; W89-E93 WeakPolarHBondContact O-CB 3.34Å; W89-E93 VanDerWaalsContact O-CG 3.29Å; W89-E93 WeakPolarHBondContact O-CG 3.47Å; W89-E93 PolarHBondContact O-N 2.85Å; E93-G95 VanDerWaalsContact C-N 3.34Å
94L92.2Very high90.6Very high1 Ų153.1 Ų53.11%0.00527%0.274CS..Hα-helixtrans-73.5-28.3177.8-70.5179.2000111.9R2 V36 L90 F102 F104 L126 M129 F131R2-L94 PolarHBondContact NH2-O 3.4Å; V36-L94 HydrophobicContact CG2-CD2 3.83Å; L90-L94 HydrophobicContact CD1-CD1 3.86Å; L90-L94 HydrophobicContact CD1-CG 3.96Å; L90-L94 HydrophobicContact CD2-CD1 4.33Å; L90-L94 HydrophobicContact CG-CD1 3.64Å; L90-L94 HydrophobicContact CG-CG 4.15Å; L90-L94 WeakPolarHBondContact O-CB 3.27Å; L90-L94 WeakPolarHBondContact O-CD1 3.48Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 2.86Å; L94-F102 HydrophobicContact CD2-CD1 3.61Å; L94-F102 HydrophobicContact CD2-CE1 3.49Å; L94-F102 VanDerWaalsContact CD2-CE1 3.49Å; L94-F102 HydrophobicContact CD2-CG 4.27Å; L94-F102 HydrophobicContact CD2-CZ 4.05Å; L94-F104 HydrophobicContact CD1-CE1 4.22Å; L94-F104 HydrophobicContact CD1-CZ 4.24Å; L94-F104 HydrophobicContact CD2-CE1 4.19Å; L94-F104 HydrophobicContact CD2-CZ 4.4Å; L94-L126 HydrophobicContact CD1-CD2 3.79Å; L94-M129 HydrophobicContact CD1-CE 3.86Å; L94-M129 HydrophobicContact CD1-SD 4.49Å; L94-F131 HydrophobicContact CD1-CE2 4.12Å; L94-F131 HydrophobicContact CD1-CZ 3.85Å
95G88Confident90.7Very high29 Ų2952.8 Ų52.830%0.29927%0.271SS..  trans62.8-174.5178.500000114.4R2 E91 E92 E93R2-G95 PolarHBondContact NH1-O 3.24Å; R2-G95 PolarHBondContact NH2-O 3.3Å; E91-G95 PolarHBondContact O-N 2.88Å; E92-G95 PolarHBondContact O-N 3.32Å; E93-G95 VanDerWaalsContact C-N 3.34Å
96E81.9Confident90.7Very high207 Ų20745.7 Ų45.797%0.96724%0.238SC*.SBendtrans-96.5117.4174.1-64.5-178.9177.200109.6
97G78.5Confident90.7Very high22 Ų2243 Ų4323%0.22722%0.223CC..  trans-156.6131.5178.300000111R2R2-G97 VanDerWaalsContact CG-O 3.26Å; R2-G97 WeakPolarHBondContact CG-O 3.42Å
98D79.7Confident90.6Very high132 Ų13242.9 Ų42.971%0.70623%0.226SC*.SBendtrans-87142.6172-79.4-47.2000110.6M1 D100M1-D98 PolarHBondContact N-OD1 3.15Å; D98-D100 PolarHBondContact O-N 2.94Å; D98-D100 VanDerWaalsContact O-N 3.16Å
99D82.1Confident90.5Very high37 Ų3741 Ų4120%0.19821%0.213CC..SBendtrans61.618.5177.8-55.1-31000115.4M1 L257M1-D99 VanDerWaalsContact O-CA 3.31Å; M1-D99 WeakPolarHBondContact O-CA 3.09Å; M1-D99 PolarHBondContact O-N 2.64Å; D99-L257 HydrophobicContact CB-CD2 3.93Å
100D88.8Confident90.1Very high28 Ų2841.5 Ų41.515%0.1522%0.218CC..  trans-71139.6172.5-82.2-30.6000111.5Y3 K34 D98 F102Y3-D100 PolarHBondContact N-O 3.26Å; K34-D100 WeakPolarHBondContact CE-OD1 3.44Å; K34-D100 IonicContact NZ-OD1 3.71Å; K34-D100 PolarHBondContact NZ-OD1 2.95Å; K34-D100 IonicContact NZ-OD2 2.64Å; K34-D100 PolarHBondContact NZ-OD2 3.05Å; D98-D100 PolarHBondContact O-N 2.94Å; D98-D100 VanDerWaalsContact O-N 3.16Å; D100-F102 HydrophobicContact CB-CD2 4.09Å; D100-F102 HydrophobicContact CB-CE2 3.29Å; D100-F102 HydrophobicContact CB-CZ 3.83Å
101Y93.3Very high89.9Confident1 Ų146 Ų460%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-114.4123.4177.2-157.5-83.2000111.1Y3 Q5 I33 K34 L103 D248 Y253Y3-Y101 HydrophobicContact CG-CD2 4.22Å; Y3-Y101 CarbonylContact O-C 3.52Å; Y3-Y101 WeakPolarHBondContact O-CA 3.35Å; Q5-Y101 HydrophobicContact CG-CE1 3.74Å; Q5-Y101 VanDerWaalsContact CG-OH 3.22Å; Q5-Y101 WeakPolarHBondContact CG-OH 3.44Å; Q5-Y101 VanDerWaalsContact NE2-CE1 3.34Å; Q5-Y101 PolarHBondContact NE2-OH 3.11Å; I33-Y101 HydrophobicContact CD1-CD1 4.42Å; I33-Y101 HydrophobicContact CG1-CD1 4.06Å; I33-Y101 HydrophobicContact CG2-CD1 4.1Å; K34-Y101 PolarHBondContact N-O 2.94Å; Y101-L103 HydrophobicContact CD1-CD2 4.49Å; Y101-L103 HydrophobicContact CE1-CD2 3.97Å; Y101-D248 PolarHBondContact OH-OD1 3.07Å; Y101-Y253 AromaticContact CD2-CD2 3.75Å; Y101-Y253 HydrophobicContact CD2-CD2 3.75Å; Y101-Y253 AromaticContact CD2-CE2 3.85Å; Y101-Y253 HydrophobicContact CD2-CE2 3.85Å; Y101-Y253 HydrophobicContact CD2-CG 4.39Å; Y101-Y253 HydrophobicContact CE2-CD2 4.03Å; Y101-Y253 HydrophobicContact CE2-CG 4.28Å
102F95.8Very high89.7Confident0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-116.9141.5-175.9-64.9-90.8000112.3Y3 G4 Q5 K34 V36 Y50 L94 D100 F104 F131Y3-F102 PolarHBondContact O-N 2.57Å; G4-F102 CarbonylContact C-O 3.57Å; G4-F102 VanDerWaalsContact CA-O 3.25Å; G4-F102 WeakPolarHBondContact CA-O 3.32Å; Q5-F102 PolarHBondContact N-O 2.73Å; K34-F102 HydrophobicContact CB-CD1 3.69Å; K34-F102 HydrophobicContact CB-CE1 3.81Å; K34-F102 HydrophobicContact CB-CG 4.5Å; K34-F102 HydrophobicContact CD-CD1 4.23Å; K34-F102 HydrophobicContact CD-CE1 3.51Å; K34-F102 HydrophobicContact CD-CZ 3.75Å; K34-F102 HydrophobicContact CG-CE1 4.3Å; K34-F102 CarbonylContact O-C 3.33Å; K34-F102 VanDerWaalsContact O-CA 3.25Å; K34-F102 WeakPolarHBondContact O-CA 3.3Å; V36-F102 HydrophobicContact CG2-CD1 3.91Å; Y50-F102 AromaticContact CD1-CE1 3.87Å; Y50-F102 HydrophobicContact CD1-CE1 3.87Å; Y50-F102 AromaticContact CE1-CE1 3.78Å; Y50-F102 HydrophobicContact CE1-CE1 3.78Å; Y50-F102 HydrophobicContact CE1-CZ 4.46Å; L94-F102 HydrophobicContact CD2-CD1 3.61Å; L94-F102 HydrophobicContact CD2-CE1 3.49Å; L94-F102 VanDerWaalsContact CD2-CE1 3.49Å; L94-F102 HydrophobicContact CD2-CG 4.27Å; L94-F102 HydrophobicContact CD2-CZ 4.05Å; D100-F102 HydrophobicContact CB-CD2 4.09Å; D100-F102 HydrophobicContact CB-CE2 3.29Å; D100-F102 HydrophobicContact CB-CZ 3.83Å; F102-F104 HydrophobicContact CB-CD2 4.46Å; F102-F104 HydrophobicContact CB-CE2 3.78Å; F102-F104 HydrophobicContact CB-CZ 3.85Å; F102-F104 HydrophobicContact CG-CZ 4.43Å; F102-F131 HydrophobicContact CB-CE1 4.23Å; F102-F131 AromaticContact CD2-CE1 3.4Å; F102-F131 HydrophobicContact CD2-CE1 3.4Å; F102-F131 VanDerWaalsContact CD2-CE1 3.4Å; F102-F131 AromaticContact CD2-CZ 3.75Å; F102-F131 HydrophobicContact CD2-CZ 3.75Å; F102-F131 AromaticContact CE2-CE1 4Å; F102-F131 HydrophobicContact CE2-CE1 4Å; F102-F131 AromaticContact CE2-CZ 3.89Å; F102-F131 HydrophobicContact CE2-CZ 3.89Å; F102-F131 HydrophobicContact CG-CE1 4.04Å; F102-F131 HydrophobicContact CG-CZ 4.43Å
103L97Very high89.4Confident0 Ų035.3 Ų35.30%019%0.189CC..EExtended strand (participates in β ladder)trans-109.1124.1164.1-56.7-178.9000108.1Q5 C19 V22 I33 K34 V35 V36 Y101Q5-L103 HydrophobicContact CB-CD2 3.59Å; Q5-L103 HydrophobicContact CG-CD2 3.59Å; C19-L103 HydrophobicContact CB-CD1 4.3Å; V22-L103 HydrophobicContact CB-CD1 3.95Å; V22-L103 HydrophobicContact CG1-CD1 3.84Å; V22-L103 HydrophobicContact CG1-CD2 4.34Å; I33-L103 HydrophobicContact CG2-CD1 3.62Å; I33-L103 HydrophobicContact CG2-CD2 4.12Å; I33-L103 HydrophobicContact CG2-CG 3.45Å; I33-L103 VanDerWaalsContact CG2-CG 3.45Å; K34-L103 PolarHBondContact O-N 3.29Å; V35-L103 CarbonylContact C-O 3.56Å; V35-L103 WeakPolarHBondContact CA-O 3.38Å; V35-L103 HydrophobicContact CG1-CB 4.43Å; V35-L103 HydrophobicContact CG2-CB 4.41Å; V35-L103 HydrophobicContact CG2-CD1 4.23Å; V36-L103 PolarHBondContact N-O 2.81Å; Y101-L103 HydrophobicContact CD1-CD2 4.49Å; Y101-L103 HydrophobicContact CE1-CD2 3.97Å
104F96.5Very high89Confident1 Ų133.7 Ų33.70%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-100.6103.3175.2-60-83.8000108.7Q5 I6 V7 V36 L38 L90 L94 F102 C106 L126 F131 L133Q5-F104 PolarHBondContact O-N 3.28Å; I6-F104 HydrophobicContact CG1-CD2 4.18Å; V7-F104 PolarHBondContact N-O 2.86Å; V36-F104 HydrophobicContact CB-CD1 3.77Å; V36-F104 HydrophobicContact CB-CE1 4.09Å; V36-F104 HydrophobicContact CG1-CD1 3.86Å; V36-F104 HydrophobicContact CG1-CE1 4.14Å; V36-F104 HydrophobicContact CG2-CD1 4.28Å; V36-F104 HydrophobicContact CG2-CE1 4.12Å; V36-F104 WeakPolarHBondContact O-CA 3.3Å; L38-F104 HydrophobicContact CD1-CB 3.95Å; L38-F104 HydrophobicContact CD1-CD1 4Å; L38-F104 HydrophobicContact CD1-CG 4.36Å; L38-F104 HydrophobicContact CG-CB 4.48Å; L38-F104 HydrophobicContact CG-CD1 4.39Å; L90-F104 HydrophobicContact CD1-CE1 4.49Å; L94-F104 HydrophobicContact CD1-CE1 4.22Å; L94-F104 HydrophobicContact CD1-CZ 4.24Å; L94-F104 HydrophobicContact CD2-CE1 4.19Å; L94-F104 HydrophobicContact CD2-CZ 4.4Å; F102-F104 HydrophobicContact CB-CD2 4.46Å; F102-F104 HydrophobicContact CB-CE2 3.78Å; F102-F104 HydrophobicContact CB-CZ 3.85Å; F102-F104 HydrophobicContact CG-CZ 4.43Å; F104-C106 PolarHBondContact O-N 3.29Å; F104-C106 PolarHBondContact O-SG 3.49Å; F104-L126 HydrophobicContact CD2-CD1 4.34Å; F104-L126 HydrophobicContact CE1-CD1 4.32Å; F104-L126 HydrophobicContact CE1-CD2 3.95Å; F104-L126 HydrophobicContact CE2-CD1 3.98Å; F104-L126 HydrophobicContact CE2-CD2 4.3Å; F104-L126 HydrophobicContact CZ-CD1 3.97Å; F104-L126 HydrophobicContact CZ-CD2 3.57Å; F104-L126 HydrophobicContact CZ-CG 4.45Å; F104-F131 HydrophobicContact CE2-CD1 4.46Å; F104-F131 HydrophobicContact CE2-CE1 4.17Å; F104-F131 AromaticContact CZ-CE1 3.94Å; F104-F131 HydrophobicContact CZ-CE1 3.94Å; F104-F131 HydrophobicContact CZ-CZ 4.34Å; F104-L133 HydrophobicContact CE2-CD2 4.35Å
105D95.8Very high88.5Confident0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-79.1110.1175-167.717.2000109.2K15 S16 V36 L38 D39 Y47K15-D105 VanDerWaalsContact CB-OD1 3.23Å; K15-D105 WeakPolarHBondContact CB-OD1 2.92Å; S16-D105 VanDerWaalsContact CA-OD2 3.22Å; S16-D105 WeakPolarHBondContact CA-OD2 3.29Å; S16-D105 WeakPolarHBondContact CB-OD2 3.43Å; S16-D105 PolarHBondContact OG-OD2 3.38Å; V36-D105 PolarHBondContact O-N 3.02Å; L38-D105 CarbonylContact C-O 3.59Å; L38-D105 WeakPolarHBondContact CA-O 3.27Å; L38-D105 WeakPolarHBondContact CB-O 3.47Å; L38-D105 PolarHBondContact N-O 2.74Å; D39-D105 PolarHBondContact N-O 2.88Å; Y47-D105 PolarHBondContact OH-OD2 3.31Å
106C94.3Very high88.4Confident0 Ų039.1 Ų39.10%020%0.204CC..  trans-101.9158.5-171.4-53.80000111.7I6 V7 I8 K15 F104 Y113I6-C106 VanDerWaalsContact CG2-SG 3.54Å; V7-C106 VanDerWaalsContact O-CB 3.29Å; V7-C106 WeakPolarHBondContact O-CB 3.38Å; V7-C106 PolarHBondContact O-N 2.94Å; I8-C106 HydrophobicContact CG2-CB 4.12Å; K15-C106 WeakPolarHBondContact CD-O 3.38Å; K15-C106 WeakPolarHBondContact CE-O 3.42Å; F104-C106 PolarHBondContact O-N 3.29Å; F104-C106 PolarHBondContact O-SG 3.49Å; C106-Y113 HydrophobicContact CB-CE1 3.9Å; C106-Y113 WeakPolarHBondContact CB-OH 3.48Å
107P93.4Very high88.6Confident0 Ų033.4 Ų33.40%018%0.184CC..  trans-57.6155.1-176.4-16.522.6000115.4L38 D39 L76 M80 Q109 L112 Y113L38-P107 WeakPolarHBondContact O-CD 3.42Å; L38-P107 WeakPolarHBondContact O-CG 3.2Å; D39-P107 HydrophobicContact CB-CB 4.43Å; D39-P107 HydrophobicContact CB-CG 4.44Å; L76-P107 HydrophobicContact CD1-CB 4.15Å; L76-P107 HydrophobicContact CD1-CG 4.4Å; L76-P107 HydrophobicContact CD2-CB 4.1Å; M80-P107 HydrophobicContact CE-CG 4.25Å; M80-P107 HydrophobicContact CG-CG 4.29Å; M80-P107 HydrophobicContact SD-CG 3.63Å; P107-Q109 VanDerWaalsContact C-N 3.28Å; P107-Q109 PolarHBondContact O-N 2.92Å; P107-L112 HydrophobicContact CB-CD1 3.71Å; P107-L112 HydrophobicContact CG-CD1 3.78Å; P107-Y113 VanDerWaalsContact CD-OH 3.3Å; P107-Y113 WeakPolarHBondContact CD-OH 3.5Å; P107-Y113 WeakPolarHBondContact O-CE2 3.43Å; P107-Y113 PolarHBondContact O-OH 2.81Å
108G90.7Very high89.2Confident11 Ų1132.6 Ų32.611%0.11318%0.175CC..SBendtrans-71.8-7.2-178.600000117.5P10 A11P10-G108 CarbonylContact C-O 3.56Å; P10-G108 WeakPolarHBondContact CA-O 3.39Å; A11-G108 PolarHBondContact N-O 2.95Å
109Q90.7Very high89.8Confident64 Ų6426.3 Ų26.330%0.29914%0.142SC..  trans-87117.3-175.2-58.5-56.3-40.900111.1L76 P107 E111 L112 Y113L76-Q109 HydrophobicContact CD2-CB 3.77Å; L76-Q109 HydrophobicContact CD2-CG 3.17Å; P107-Q109 VanDerWaalsContact C-N 3.28Å; P107-Q109 PolarHBondContact O-N 2.92Å; Q109-E111 PolarHBondContact O-N 3.43Å; Q109-L112 HydrophobicContact CB-CD1 4.19Å; Q109-L112 HydrophobicContact CB-CG 4.31Å; Q109-L112 WeakPolarHBondContact O-CB 3.5Å; Q109-L112 PolarHBondContact O-N 2.86Å; Q109-Y113 WeakPolarHBondContact O-CE2 3.45Å
110L87Confident90.2Very high43 Ų4327.1 Ų27.123%0.22514%0.143CC..THydrogen-bonded Turntrans-67.1-24.6-175.6-87.4168.2000113.1P10 L112 Y113 T114 F137P10-L110 HydrophobicContact CB-CD1 3.76Å; P10-L110 HydrophobicContact CB-CG 4.15Å; P10-L110 HydrophobicContact CG-CD1 4.23Å; L110-L112 PolarHBondContact O-N 2.83Å; L110-Y113 HydrophobicContact CD2-CD2 4.46Å; L110-Y113 PolarHBondContact O-N 2.91Å; L110-Y113 VanDerWaalsContact O-N 3.07Å; L110-T114 WeakPolarHBondContact O-CG2 3.41Å; L110-T114 PolarHBondContact O-N 2.89Å; L110-T114 VanDerWaalsContact O-N 3.11Å; L110-T114 PolarHBondContact O-OG1 2.75Å; L110-F137 HydrophobicContact CD2-CE2 3.7Å; L110-F137 HydrophobicContact CD2-CZ 3.77Å
111E85.5Confident90.4Very high95 Ų9529.6 Ų29.644%0.44416%0.155SC..Hα-helixtrans-55.7-34.7177.6-66.983.3-178.100111.8Q109 Y113 T114 H115 A116Q109-E111 PolarHBondContact O-N 3.43Å; E111-Y113 PolarHBondContact O-N 3.43Å; E111-T114 WeakPolarHBondContact CA-OG1 3.49Å; E111-H115 VanDerWaalsContact CA-CE1 3.44Å; E111-H115 WeakPolarHBondContact CA-CE1 3.48Å; E111-H115 WeakPolarHBondContact CB-CE1 3.45Å; E111-H115 PolarHBondContact O-CE1 3.3Å; E111-H115 PolarHBondContact O-N 2.76Å; E111-H115 PolarHBondContact O-ND1 3.06Å; E111-A116 PolarHBondContact O-N 2.87Å
112L87.5Confident90.5Very high2 Ų229.5 Ų29.51%0.0116%0.155CC..Hα-helixtrans-65.3-26179.4-63173.4000113.2L76 V77 M80 P107 Q109 L110 M119L76-L112 HydrophobicContact CD2-CD1 3.92Å; L76-L112 HydrophobicContact CG-CD1 4.29Å; V77-L112 HydrophobicContact CG2-CD2 4.17Å; M80-L112 HydrophobicContact CB-CD2 4.35Å; M80-L112 HydrophobicContact CG-CD1 4.03Å; M80-L112 HydrophobicContact CG-CD2 4.15Å; P107-L112 HydrophobicContact CB-CD1 3.71Å; P107-L112 HydrophobicContact CG-CD1 3.78Å; Q109-L112 HydrophobicContact CB-CD1 4.19Å; Q109-L112 HydrophobicContact CB-CG 4.31Å; Q109-L112 WeakPolarHBondContact O-CB 3.5Å; Q109-L112 PolarHBondContact O-N 2.86Å; L110-L112 PolarHBondContact O-N 2.83Å; L112-M119 HydrophobicContact CB-CG 4.37Å; L112-M119 WeakPolarHBondContact O-CG 3.39Å
113Y87.2Confident90.4Very high0 Ų029.6 Ų29.60%016%0.155CC..Hα-helixtrans-103.6-22-177.3-46.4-64.9000113.2I8 C106 P107 Q109 L110 E111 M119 N163I8-Y113 HydrophobicContact CB-CD1 4.14Å; I8-Y113 HydrophobicContact CB-CD2 4.18Å; I8-Y113 HydrophobicContact CB-CE1 4.06Å; I8-Y113 HydrophobicContact CB-CE2 4.11Å; I8-Y113 HydrophobicContact CB-CG 4.21Å; I8-Y113 HydrophobicContact CG2-CD1 3.59Å; I8-Y113 HydrophobicContact CG2-CD2 4.48Å; I8-Y113 HydrophobicContact CG2-CE1 3.36Å; I8-Y113 HydrophobicContact CG2-CE2 4.3Å; I8-Y113 HydrophobicContact CG2-CG 4.17Å; C106-Y113 HydrophobicContact CB-CE1 3.9Å; C106-Y113 WeakPolarHBondContact CB-OH 3.48Å; P107-Y113 VanDerWaalsContact CD-OH 3.3Å; P107-Y113 WeakPolarHBondContact CD-OH 3.5Å; P107-Y113 WeakPolarHBondContact O-CE2 3.43Å; P107-Y113 PolarHBondContact O-OH 2.81Å; Q109-Y113 WeakPolarHBondContact O-CE2 3.45Å; L110-Y113 HydrophobicContact CD2-CD2 4.46Å; L110-Y113 PolarHBondContact O-N 2.91Å; L110-Y113 VanDerWaalsContact O-N 3.07Å; E111-Y113 PolarHBondContact O-N 3.43Å; Y113-M119 HydrophobicContact CD1-CB 4.18Å; Y113-M119 HydrophobicContact CD1-CE 4.46Å; Y113-M119 HydrophobicContact CD1-CG 3.63Å; Y113-M119 HydrophobicContact CE1-CE 4Å; Y113-M119 HydrophobicContact CE1-CG 3.62Å; Y113-M119 HydrophobicContact CE1-SD 3.96Å; Y113-N163 WeakPolarHBondContact O-CB 3.43Å; Y113-N163 PolarHBondContact O-ND2 2.89Å
114T82.5Confident90.2Very high34 Ų3433.6 Ų33.621%0.20917%0.174CC..Hα-helixtrans-93.4-33.3-17149.70000113.7L110 E111L110-T114 WeakPolarHBondContact O-CG2 3.41Å; L110-T114 PolarHBondContact O-N 2.89Å; L110-T114 VanDerWaalsContact O-N 3.11Å; L110-T114 PolarHBondContact O-OG1 2.75Å; E111-T114 WeakPolarHBondContact CA-OG1 3.49Å
115H82.7Confident90.1Very high130 Ų13034.4 Ų34.460%0.60218%0.178SC*.THydrogen-bonded Turntrans-145.9-22.2-176.362.2-84.9000114.9E111E111-H115 VanDerWaalsContact CA-CE1 3.44Å; E111-H115 WeakPolarHBondContact CA-CE1 3.48Å; E111-H115 WeakPolarHBondContact CB-CE1 3.45Å; E111-H115 PolarHBondContact O-CE1 3.3Å; E111-H115 PolarHBondContact O-N 2.76Å; E111-H115 PolarHBondContact O-ND1 3.06Å
116A85.5Confident90Very high15 Ų1534.4 Ų34.412%0.12418%0.178CC..  trans-69.5136.7173.800000110.4E111 V118E111-A116 PolarHBondContact O-N 2.87Å; A116-V118 HydrophobicContact CB-CG2 4.49Å; A116-V118 PolarHBondContact O-N 3.44Å
117P87.1Confident90Very high86 Ų8638.7 Ų38.756%0.55820%0.196SC*.SBendtrans-75.9-10.7178.631.5-35.5000113M119 K120 M121P117-M119 PolarHBondContact O-N 3.02Å; P117-K120 WeakPolarHBondContact O-CB 3.38Å; P117-K120 PolarHBondContact O-N 2.95Å; P117-K120 VanDerWaalsContact O-N 3.13Å; P117-M121 WeakPolarHBondContact O-CG 3.14Å; P117-M121 PolarHBondContact O-N 2.84Å
118V90.5Very high90Very high5 Ų546.3 Ų46.33%0.0323%0.225CC..Hα-helixtrans-60.3-48.4-168.6-1780000112.5M80 E81 A84 A116 K120 M121 I122M80-V118 HydrophobicContact CB-CG1 3.66Å; M80-V118 WeakPolarHBondContact O-CG1 3.37Å; E81-V118 HydrophobicContact CG-CG2 3.75Å; A84-V118 HydrophobicContact CB-CG1 3.83Å; A116-V118 HydrophobicContact CB-CG2 4.49Å; A116-V118 PolarHBondContact O-N 3.44Å; V118-K120 VanDerWaalsContact C-N 3.3Å; V118-K120 PolarHBondContact O-N 3.15Å; V118-M121 WeakPolarHBondContact O-CB 3.22Å; V118-M121 PolarHBondContact O-N 2.84Å; V118-I122 HydrophobicContact CG1-CD1 4.44Å; V118-I122 PolarHBondContact O-N 2.95Å; V118-I122 VanDerWaalsContact O-N 3.17Å
119M91.6Very high90Very high1 Ų147.2 Ų47.21%0.00523%0.227CC..Hα-helixtrans-67.5-32.8178.1-73.9-60.9-50.400112.4I6 M80 L112 Y113 P117 M121 I122 V123 L164I6-M119 HydrophobicContact CG2-CE 4.08Å; M80-M119 HydrophobicContact CE-SD 3.56Å; M80-M119 VanDerWaalsContact CE-SD 3.56Å; L112-M119 HydrophobicContact CB-CG 4.37Å; L112-M119 WeakPolarHBondContact O-CG 3.39Å; Y113-M119 HydrophobicContact CD1-CB 4.18Å; Y113-M119 HydrophobicContact CD1-CE 4.46Å; Y113-M119 HydrophobicContact CD1-CG 3.63Å; Y113-M119 HydrophobicContact CE1-CE 4Å; Y113-M119 HydrophobicContact CE1-CG 3.62Å; Y113-M119 HydrophobicContact CE1-SD 3.96Å; P117-M119 PolarHBondContact O-N 3.02Å; M119-M121 VanDerWaalsContact C-N 3.34Å; M119-I122 PolarHBondContact O-N 3.13Å; M119-I122 HydrophobicContact SD-CD1 3.86Å; M119-V123 VanDerWaalsContact O-CG2 3.27Å; M119-V123 WeakPolarHBondContact O-CG2 3.08Å; M119-V123 PolarHBondContact O-N 2.94Å; M119-L164 HydrophobicContact CB-CD2 3.84Å
120K91.9Very high90Very high53 Ų5348.8 Ų48.823%0.2324%0.237CC..Hα-helixtrans-63.4-41.3174.1-178.4173177.7164.50111.2P117 V118 I122 V123 E124 E165P117-K120 WeakPolarHBondContact O-CB 3.38Å; P117-K120 PolarHBondContact O-N 2.95Å; P117-K120 VanDerWaalsContact O-N 3.13Å; V118-K120 VanDerWaalsContact C-N 3.3Å; V118-K120 PolarHBondContact O-N 3.15Å; K120-I122 PolarHBondContact O-N 2.93Å; K120-V123 PolarHBondContact O-N 2.85Å; K120-E124 WeakPolarHBondContact CE-OE1 3.4Å; K120-E124 HydrophobicContact CG-CG 4.48Å; K120-E124 WeakPolarHBondContact O-CG 3.47Å; K120-E124 PolarHBondContact O-N 3.48Å; K120-E165 IonicContact NZ-OE1 2.84Å; K120-E165 PolarHBondContact NZ-OE1 3.3Å; K120-E165 IonicContact NZ-OE2 2.73Å
121M93Very high90.3Very high80 Ų8047.2 Ų47.239%0.39423%0.228SC..Hα-helixtrans-61-43.1175.2-66.1172.663.100112.1A84 P117 V118 M119 E124 E125A84-M121 HydrophobicContact CB-CB 4.44Å; A84-M121 HydrophobicContact CB-CE 4.17Å; A84-M121 HydrophobicContact CB-SD 4.39Å; P117-M121 WeakPolarHBondContact O-CG 3.14Å; P117-M121 PolarHBondContact O-N 2.84Å; V118-M121 WeakPolarHBondContact O-CB 3.22Å; V118-M121 PolarHBondContact O-N 2.84Å; M119-M121 VanDerWaalsContact C-N 3.34Å; M121-E124 PolarHBondContact O-N 2.98Å; M121-E125 PolarHBondContact O-N 3.32Å
122I93.6Very high90.8Very high0 Ų043.5 Ų43.50%021%0.213CC..Hα-helixtrans-62.2-45.5175.9-64.9164.3000110.5M80 L83 L87 L90 V118 M119 K120 E124 E125 L126M80-I122 HydrophobicContact CE-CD1 3.79Å; L83-I122 HydrophobicContact CD2-CD1 3.77Å; L83-I122 HydrophobicContact CG-CD1 4.28Å; L87-I122 HydrophobicContact CD2-CB 4.43Å; L87-I122 HydrophobicContact CD2-CG1 3.87Å; L90-I122 HydrophobicContact CD2-CG2 4.23Å; V118-I122 HydrophobicContact CG1-CD1 4.44Å; V118-I122 PolarHBondContact O-N 2.95Å; V118-I122 VanDerWaalsContact O-N 3.17Å; M119-I122 PolarHBondContact O-N 3.13Å; M119-I122 HydrophobicContact SD-CD1 3.86Å; K120-I122 PolarHBondContact O-N 2.93Å; I122-E124 VanDerWaalsContact C-N 3.34Å; I122-E124 PolarHBondContact O-N 3.21Å; I122-E125 PolarHBondContact O-N 3.28Å; I122-L126 HydrophobicContact CG2-CD1 4.18Å; I122-L126 HydrophobicContact CG2-CG 4.45Å; I122-L126 WeakPolarHBondContact O-CG 3.38Å; I122-L126 PolarHBondContact O-N 2.95Å
123V94.2Very high91.1Very high1 Ų143.8 Ų43.81%0.00621%0.214CC..Hα-helixtrans-59.5-43.8176.4169.80000111.8I6 M119 K120 E125 L126 K127 L133 L164 L166I6-V123 HydrophobicContact CD1-CG2 3.48Å; I6-V123 VanDerWaalsContact CD1-CG2 3.48Å; M119-V123 VanDerWaalsContact O-CG2 3.27Å; M119-V123 WeakPolarHBondContact O-CG2 3.08Å; M119-V123 PolarHBondContact O-N 2.94Å; K120-V123 PolarHBondContact O-N 2.85Å; V123-E125 VanDerWaalsContact C-N 3.33Å; V123-E125 PolarHBondContact O-N 2.99Å; V123-L126 PolarHBondContact O-N 3.04Å; V123-K127 HydrophobicContact CG1-CD 4.25Å; V123-K127 WeakPolarHBondContact O-CG 3.32Å; V123-K127 PolarHBondContact O-N 3.46Å; V123-L133 HydrophobicContact CG1-CD1 4.15Å; V123-L164 HydrophobicContact CG2-CD2 4.2Å; V123-L166 HydrophobicContact CG1-CD1 3.81Å; V123-L166 HydrophobicContact CG1-CD2 3.94Å; V123-L166 HydrophobicContact CG1-CG 3.91Å; V123-L166 HydrophobicContact CG2-CD1 3.94Å
124E93.9Very high91.5Very high84 Ų8443.8 Ų43.839%0.39321%0.214SC..Hα-helixtrans-63.2-38.9178.6-75.3175.7-178.400111.9K120 M121 I122 K127 R128K120-E124 WeakPolarHBondContact CE-OE1 3.4Å; K120-E124 HydrophobicContact CG-CG 4.48Å; K120-E124 WeakPolarHBondContact O-CG 3.47Å; K120-E124 PolarHBondContact O-N 3.48Å; M121-E124 PolarHBondContact O-N 2.98Å; I122-E124 VanDerWaalsContact C-N 3.34Å; I122-E124 PolarHBondContact O-N 3.21Å; E124-K127 PolarHBondContact O-N 3.3Å; E124-R128 WeakPolarHBondContact O-CG 3.39Å; E124-R128 PolarHBondContact O-N 2.9Å
125E93.5Very high92.1Very high19 Ų1942.1 Ų42.19%0.08920%0.204CC..Hα-helixtrans-66-46.9173.6-166.171.6-93.800112.3L87 M121 I122 V123 K127 R128 M129L87-E125 HydrophobicContact CB-CG 4.03Å; L87-E125 HydrophobicContact CD1-CB 3.99Å; L87-E125 HydrophobicContact CD1-CG 4.26Å; L87-E125 HydrophobicContact CD2-CB 4.27Å; L87-E125 HydrophobicContact CG-CG 4.49Å; M121-E125 PolarHBondContact O-N 3.32Å; I122-E125 PolarHBondContact O-N 3.28Å; V123-E125 VanDerWaalsContact C-N 3.33Å; V123-E125 PolarHBondContact O-N 2.99Å; E125-K127 PolarHBondContact O-N 3.33Å; E125-R128 WeakPolarHBondContact O-CA 3.48Å; E125-R128 WeakPolarHBondContact O-CB 3.35Å; E125-R128 PolarHBondContact O-N 3.43Å; E125-R128 IonicContact OE1-CZ 3.4Å; E125-R128 IonicContact OE1-NE 3.69Å; E125-R128 PolarHBondContact OE1-NE 2.9Å; E125-R128 IonicContact OE1-NH2 3.26Å; E125-R128 PolarHBondContact OE1-NH2 3.32Å; E125-R128 IonicContact OE2-CZ 3.56Å; E125-R128 IonicContact OE2-NE 2.83Å; E125-R128 IonicContact OE2-NH2 2.64Å; E125-R128 PolarHBondContact OE2-NH2 2.91Å; E125-M129 HydrophobicContact CG-CE 4.38Å; E125-M129 PolarHBondContact O-N 3.29Å
126L94.2Very high92.8Very high0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-56.3-42.2175.5-69.2173.8000110.8I6 L90 L94 F104 I122 V123 R128 M129 F131 L133I6-L126 HydrophobicContact CD1-CD1 4.15Å; L90-L126 HydrophobicContact CD2-CD2 3.79Å; L90-L126 HydrophobicContact CD2-CG 4.33Å; L94-L126 HydrophobicContact CD1-CD2 3.79Å; F104-L126 HydrophobicContact CD2-CD1 4.34Å; F104-L126 HydrophobicContact CE1-CD1 4.32Å; F104-L126 HydrophobicContact CE1-CD2 3.95Å; F104-L126 HydrophobicContact CE2-CD1 3.98Å; F104-L126 HydrophobicContact CE2-CD2 4.3Å; F104-L126 HydrophobicContact CZ-CD1 3.97Å; F104-L126 HydrophobicContact CZ-CD2 3.57Å; F104-L126 HydrophobicContact CZ-CG 4.45Å; I122-L126 HydrophobicContact CG2-CD1 4.18Å; I122-L126 HydrophobicContact CG2-CG 4.45Å; I122-L126 WeakPolarHBondContact O-CG 3.38Å; I122-L126 PolarHBondContact O-N 2.95Å; V123-L126 PolarHBondContact O-N 3.04Å; L126-R128 PolarHBondContact O-N 3.45Å; L126-M129 HydrophobicContact CB-CE 4.46Å; L126-M129 HydrophobicContact CD2-CE 3.47Å; L126-M129 VanDerWaalsContact CD2-CE 3.47Å; L126-M129 HydrophobicContact CG-CE 4.27Å; L126-M129 CarbonylContact O-C 3.57Å; L126-M129 PolarHBondContact O-N 3.48Å; L126-F131 HydrophobicContact CB-CB 4.37Å; L126-F131 HydrophobicContact CB-CD2 4.45Å; L126-F131 HydrophobicContact CB-CG 4.42Å; L126-F131 HydrophobicContact CD2-CD2 4.37Å; L126-F131 HydrophobicContact CD2-CE2 4.26Å; L126-F131 HydrophobicContact CD2-CZ 4.43Å; L126-F131 VanDerWaalsContact O-CB 3.27Å; L126-F131 WeakPolarHBondContact O-CB 3.47Å; L126-F131 VanDerWaalsContact O-CD2 3.26Å; L126-F131 WeakPolarHBondContact O-CD2 3.19Å; L126-F131 PolarHBondContact O-N 3.46Å; L126-F131 VanDerWaalsContact O-N 3.16Å; L126-L133 HydrophobicContact CB-CD1 3.59Å; L126-L133 HydrophobicContact CB-CD2 4.31Å; L126-L133 HydrophobicContact CB-CG 4.49Å; L126-L133 HydrophobicContact CD1-CD1 4.2Å; L126-L133 HydrophobicContact CD1-CD2 4.19Å
127K93.3Very high93.2Very high89 Ų8935.2 Ų35.239%0.38717%0.17SC..Hα-helixtrans-62.2-39.8173.5-73.1177.6-178.5175.50112.1V123 E124 E125 M129 N130 L133 E165V123-K127 HydrophobicContact CG1-CD 4.25Å; V123-K127 WeakPolarHBondContact O-CG 3.32Å; V123-K127 PolarHBondContact O-N 3.46Å; E124-K127 PolarHBondContact O-N 3.3Å; E125-K127 PolarHBondContact O-N 3.33Å; K127-M129 VanDerWaalsContact C-N 3.26Å; K127-M129 PolarHBondContact O-N 3.22Å; K127-N130 PolarHBondContact O-N 3.34Å; K127-N130 VanDerWaalsContact O-N 3.08Å; K127-L133 HydrophobicContact CG-CD1 3.98Å; K127-E165 PolarHBondContact NZ-O 2.6Å
128R93Very high93.5Very high161 Ų16131.1 Ų31.161%0.60814%0.143SC*.Hα-helixtrans-61.5-34.7174.5-75.5-166.9-72.4-108.96.8112.1E124 E125 L126 N130E124-R128 WeakPolarHBondContact O-CG 3.39Å; E124-R128 PolarHBondContact O-N 2.9Å; E125-R128 WeakPolarHBondContact O-CA 3.48Å; E125-R128 WeakPolarHBondContact O-CB 3.35Å; E125-R128 PolarHBondContact O-N 3.43Å; E125-R128 IonicContact OE1-CZ 3.4Å; E125-R128 IonicContact OE1-NE 3.69Å; E125-R128 PolarHBondContact OE1-NE 2.9Å; E125-R128 IonicContact OE1-NH2 3.26Å; E125-R128 PolarHBondContact OE1-NH2 3.32Å; E125-R128 IonicContact OE2-CZ 3.56Å; E125-R128 IonicContact OE2-NE 2.83Å; E125-R128 IonicContact OE2-NH2 2.64Å; E125-R128 PolarHBondContact OE2-NH2 2.91Å; L126-R128 PolarHBondContact O-N 3.45Å; R128-N130 PolarHBondContact O-N 3.27Å
129M91Very high93.6Very high30 Ų3031.4 Ų31.415%0.14815%0.145CC..THydrogen-bonded Turntrans-77.417173.1-65.5-171.5-72.500114.5E91 L94 E125 L126 K127 F131E91-M129 HydrophobicContact CB-SD 3.88Å; E91-M129 HydrophobicContact CG-CG 4.35Å; E91-M129 HydrophobicContact CG-SD 3.58Å; E91-M129 VanDerWaalsContact CG-SD 3.58Å; L94-M129 HydrophobicContact CD1-CE 3.86Å; L94-M129 HydrophobicContact CD1-SD 4.49Å; E125-M129 HydrophobicContact CG-CE 4.38Å; E125-M129 PolarHBondContact O-N 3.29Å; L126-M129 HydrophobicContact CB-CE 4.46Å; L126-M129 HydrophobicContact CD2-CE 3.47Å; L126-M129 VanDerWaalsContact CD2-CE 3.47Å; L126-M129 HydrophobicContact CG-CE 4.27Å; L126-M129 CarbonylContact O-C 3.57Å; L126-M129 PolarHBondContact O-N 3.48Å; K127-M129 VanDerWaalsContact C-N 3.26Å; K127-M129 PolarHBondContact O-N 3.22Å; M129-F131 VanDerWaalsContact C-N 3.34Å; M129-F131 HydrophobicContact CB-CD2 3.86Å; M129-F131 HydrophobicContact CB-CE2 4.02Å; M129-F131 HydrophobicContact CE-CE2 4.18Å; M129-F131 PolarHBondContact O-N 3.24Å
130N91.7Very high93.6Very high96 Ų9631.6 Ų31.651%0.51315%0.146SC..THydrogen-bonded Turntrans62.635.3177.7-161.536.4000114.2R2 K127 R128R2-N130 PolarHBondContact N-O 2.82Å; R2-N130 VanDerWaalsContact N-O 3.13Å; K127-N130 PolarHBondContact O-N 3.34Å; K127-N130 VanDerWaalsContact O-N 3.08Å; R128-N130 PolarHBondContact O-N 3.27Å
131F93.7Very high93.3Very high10 Ų1029.1 Ų29.14%0.04414%0.135CC..EExtended strand (participates in β ladder)trans-83.8132.5168.1-77.6-107.7000112R2 L94 F102 F104 L126 M129 L133R2-F131 HydrophobicContact CB-CD1 3.84Å; R2-F131 HydrophobicContact CB-CD2 3.95Å; R2-F131 HydrophobicContact CB-CE1 3.92Å; R2-F131 HydrophobicContact CB-CE2 4.04Å; R2-F131 HydrophobicContact CB-CG 3.86Å; R2-F131 HydrophobicContact CB-CZ 4.01Å; R2-F131 HydrophobicContact CG-CE2 4.47Å; R2-F131 VanDerWaalsContact CZ-CZ 3.45Å; R2-F131 VanDerWaalsContact NE-CZ 3.29Å; R2-F131 CarbonylContact O-C 3.55Å; R2-F131 VanDerWaalsContact O-CA 3.3Å; R2-F131 WeakPolarHBondContact O-CA 3.48Å; L94-F131 HydrophobicContact CD1-CE2 4.12Å; L94-F131 HydrophobicContact CD1-CZ 3.85Å; F102-F131 HydrophobicContact CB-CE1 4.23Å; F102-F131 AromaticContact CD2-CE1 3.4Å; F102-F131 HydrophobicContact CD2-CE1 3.4Å; F102-F131 VanDerWaalsContact CD2-CE1 3.4Å; F102-F131 AromaticContact CD2-CZ 3.75Å; F102-F131 HydrophobicContact CD2-CZ 3.75Å; F102-F131 AromaticContact CE2-CE1 4Å; F102-F131 HydrophobicContact CE2-CE1 4Å; F102-F131 AromaticContact CE2-CZ 3.89Å; F102-F131 HydrophobicContact CE2-CZ 3.89Å; F102-F131 HydrophobicContact CG-CE1 4.04Å; F102-F131 HydrophobicContact CG-CZ 4.43Å; F104-F131 HydrophobicContact CE2-CD1 4.46Å; F104-F131 HydrophobicContact CE2-CE1 4.17Å; F104-F131 AromaticContact CZ-CE1 3.94Å; F104-F131 HydrophobicContact CZ-CE1 3.94Å; F104-F131 HydrophobicContact CZ-CZ 4.34Å; L126-F131 HydrophobicContact CB-CB 4.37Å; L126-F131 HydrophobicContact CB-CD2 4.45Å; L126-F131 HydrophobicContact CB-CG 4.42Å; L126-F131 HydrophobicContact CD2-CD2 4.37Å; L126-F131 HydrophobicContact CD2-CE2 4.26Å; L126-F131 HydrophobicContact CD2-CZ 4.43Å; L126-F131 VanDerWaalsContact O-CB 3.27Å; L126-F131 WeakPolarHBondContact O-CB 3.47Å; L126-F131 VanDerWaalsContact O-CD2 3.26Å; L126-F131 WeakPolarHBondContact O-CD2 3.19Å; L126-F131 PolarHBondContact O-N 3.46Å; L126-F131 VanDerWaalsContact O-N 3.16Å; M129-F131 VanDerWaalsContact C-N 3.34Å; M129-F131 HydrophobicContact CB-CD2 3.86Å; M129-F131 HydrophobicContact CB-CE2 4.02Å; M129-F131 HydrophobicContact CE-CE2 4.18Å; M129-F131 PolarHBondContact O-N 3.24Å; F131-L133 HydrophobicContact CB-CD1 4.32Å; F131-L133 HydrophobicContact CB-CD2 3.68Å; F131-L133 HydrophobicContact CB-CG 3.79Å; F131-L133 HydrophobicContact CD1-CD2 3.96Å; F131-L133 HydrophobicContact CG-CD2 4.18Å
132S94.2Very high92.8Very high18 Ų1830 Ų3013%0.12614%0.138CC..EExtended strand (participates in β ladder)trans-83.3129152.7-172.20000108.7R2 Y3 G4 V251R2-S132 PolarHBondContact O-N 3.2Å; Y3-S132 CarbonylContact C-O 3.55Å; Y3-S132 WeakPolarHBondContact CA-O 3.43Å; G4-S132 PolarHBondContact N-O 3.17Å; S132-V251 WeakPolarHBondContact CB-O 3.49Å; S132-V251 WeakPolarHBondContact O-CG1 3.47Å; S132-V251 WeakPolarHBondContact OG-CG1 3.46Å; S132-V251 PolarHBondContact OG-O 3.36Å
133L95.6Very high92Very high7 Ų735.8 Ų35.84%0.03716%0.163CC..EExtended strand (participates in β ladder)trans-127.8140.8-170-62.2168.8000111.2G4 I6 F104 V123 L126 K127 F131 L166 P167G4-L133 WeakPolarHBondContact O-CA 3.47Å; I6-L133 HydrophobicContact CD1-CD1 4.28Å; I6-L133 HydrophobicContact CD1-CD2 4.44Å; I6-L133 HydrophobicContact CG1-CD2 4.44Å; F104-L133 HydrophobicContact CE2-CD2 4.35Å; V123-L133 HydrophobicContact CG1-CD1 4.15Å; L126-L133 HydrophobicContact CB-CD1 3.59Å; L126-L133 HydrophobicContact CB-CD2 4.31Å; L126-L133 HydrophobicContact CB-CG 4.49Å; L126-L133 HydrophobicContact CD1-CD1 4.2Å; L126-L133 HydrophobicContact CD1-CD2 4.19Å; K127-L133 HydrophobicContact CG-CD1 3.98Å; F131-L133 HydrophobicContact CB-CD1 4.32Å; F131-L133 HydrophobicContact CB-CD2 3.68Å; F131-L133 HydrophobicContact CB-CG 3.79Å; F131-L133 HydrophobicContact CD1-CD2 3.96Å; F131-L133 HydrophobicContact CG-CD2 4.18Å; L133-L166 HydrophobicContact CB-CD1 4Å; L133-L166 HydrophobicContact CB-CD2 3.7Å; L133-L166 HydrophobicContact CD1-CD2 4.43Å; L133-P167 WeakPolarHBondContact O-CD 3.37Å
134C95.3Very high91.1Very high0 Ų035.9 Ų35.90%016%0.164CC..EExtended strand (participates in β ladder)trans-127.1135.2166.2176.50000110G4 Q5 I6 P167 I247 A250 V251G4-C134 PolarHBondContact O-N 3.1Å; Q5-C134 CarbonylContact C-O 3.57Å; Q5-C134 WeakPolarHBondContact CA-O 3.49Å; I6-C134 PolarHBondContact N-O 3.06Å; C134-P167 CarbonylContact C-O 3.28Å; C134-P167 WeakPolarHBondContact CA-O 3.46Å; C134-P167 PolarHBondContact SG-O 2.99Å; C134-I247 HydrophobicContact CB-CG2 4.36Å; C134-A250 HydrophobicContact CB-CB 4.36Å; C134-V251 HydrophobicContact CB-CG2 3.28Å
135A95.4Very high90.3Very high0 Ų034 Ų340%016%0.156CC..EExtended strand (participates in β ladder)trans-83.6123.2171.500000109.9I6 I8 L164 L166 P167 H168 V169I6-A135 CarbonylContact O-C 3.56Å; I6-A135 WeakPolarHBondContact O-CA 3.35Å; I8-A135 HydrophobicContact CD1-CB 4.21Å; A135-L164 HydrophobicContact CB-CD1 4.25Å; A135-L166 HydrophobicContact CB-CB 4.28Å; A135-L166 HydrophobicContact CB-CD1 4.39Å; A135-P167 PolarHBondContact N-O 3.5Å; A135-H168 CarbonylContact O-C 3.57Å; A135-H168 VanDerWaalsContact O-CA 3.31Å; A135-H168 WeakPolarHBondContact O-CA 3.24Å; A135-V169 PolarHBondContact O-N 2.87Å
136V95.9Very high89.5Confident0 Ų036.7 Ų36.70%017%0.171CC..EExtended strand (participates in β ladder)trans-104.5106175.7-1780000108.1Q5 I6 I8 F18 T138 V169 V171 I247Q5-V136 HydrophobicContact CB-CG2 4.07Å; Q5-V136 HydrophobicContact CG-CG2 4.41Å; I6-V136 PolarHBondContact O-N 2.96Å; I8-V136 PolarHBondContact N-O 3.43Å; F18-V136 HydrophobicContact CE1-CG1 4.06Å; F18-V136 HydrophobicContact CE2-CG1 4.41Å; F18-V136 HydrophobicContact CZ-CG1 3.84Å; V136-T138 HydrophobicContact CG1-CG2 4.41Å; V136-V169 CarbonylContact C-O 3.52Å; V136-V169 WeakPolarHBondContact CA-O 3.5Å; V136-V171 HydrophobicContact CG1-CB 4.44Å; V136-V171 HydrophobicContact CG1-CG2 3.58Å; V136-I247 HydrophobicContact CG2-CD1 3.75Å; V136-I247 HydrophobicContact CG2-CG1 4.21Å
137F94.5Very high88.6Confident0 Ų037.4 Ų37.40%018%0.176CC..EExtended strand (participates in β ladder)trans-97.4103.9-176.6-170.1-86.2000110.9I8 L110 L139 A156 A157 A160 H168 V169 N170 V171I8-F137 HydrophobicContact CD1-CB 4.48Å; I8-F137 HydrophobicContact CD1-CD2 3.75Å; I8-F137 HydrophobicContact CG1-CB 4.12Å; I8-F137 HydrophobicContact CG1-CD2 3.71Å; I8-F137 HydrophobicContact CG1-CG 4.34Å; I8-F137 WeakPolarHBondContact O-CA 3.42Å; L110-F137 HydrophobicContact CD2-CE2 3.7Å; L110-F137 HydrophobicContact CD2-CZ 3.77Å; F137-L139 HydrophobicContact CD1-CD1 4.32Å; F137-L139 HydrophobicContact CD1-CD2 4.3Å; F137-L139 HydrophobicContact CD1-CG 3.86Å; F137-L139 HydrophobicContact CE1-CD1 3.85Å; F137-L139 HydrophobicContact CE1-CD2 3.5Å; F137-L139 VanDerWaalsContact CE1-CD2 3.5Å; F137-L139 HydrophobicContact CE1-CG 3.48Å; F137-L139 VanDerWaalsContact CE1-CG 3.48Å; F137-L139 HydrophobicContact CZ-CD2 4.21Å; F137-A156 HydrophobicContact CZ-CB 4.42Å; F137-A157 HydrophobicContact CD1-CB 3.72Å; F137-A157 HydrophobicContact CE1-CB 3.64Å; F137-A157 HydrophobicContact CG-CB 4.18Å; F137-A157 HydrophobicContact CZ-CB 4.09Å; F137-A160 HydrophobicContact CD2-CB 4.17Å; F137-A160 HydrophobicContact CE2-CB 4.06Å; F137-H168 WeakPolarHBondContact CB-CE1 3.35Å; F137-H168 WeakPolarHBondContact CB-NE2 3.41Å; F137-H168 AromaticContact CD2-CE1 3.96Å; F137-H168 AromaticContact CD2-NE2 3.77Å; F137-H168 AromaticContact CG-CE1 3.62Å; F137-H168 AromaticContact CG-NE2 3.85Å; F137-V169 PolarHBondContact N-O 3.4Å; F137-N170 CarbonylContact O-C 3.58Å; F137-N170 WeakPolarHBondContact O-CA 3.43Å; F137-V171 PolarHBondContact O-N 3.06Å
138T94.3Very high87.9Confident0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-85.4129.7-178.158.40000111V7 I8 P10 S13 K15 V136 V171 T173V7-T138 HydrophobicContact CG1-CG2 4.15Å; I8-T138 PolarHBondContact O-N 2.99Å; I8-T138 PolarHBondContact O-OG1 3.2Å; P10-T138 WeakPolarHBondContact CD-O 3.35Å; S13-T138 WeakPolarHBondContact CB-O 3.48Å; S13-T138 WeakPolarHBondContact CB-OG1 3.31Å; S13-T138 PolarHBondContact OG-OG1 3.1Å; K15-T138 VanDerWaalsContact CG-OG1 3.29Å; K15-T138 WeakPolarHBondContact CG-OG1 3.31Å; V136-T138 HydrophobicContact CG1-CG2 4.41Å; T138-V171 CarbonylContact C-O 3.53Å; T138-V171 WeakPolarHBondContact CA-O 3.4Å; T138-T173 HydrophobicContact CG2-CG2 4Å
139L91.8Very high87.3Confident11 Ų1134.1 Ų34.16%0.05817%0.173CC..EExtended strand (participates in β ladder)trans-126.9132.7170.1-73.9-178.8000110P10 F137 T141 L144 V171 L172 T173 Y229P10-L139 HydrophobicContact CG-CD2 3.81Å; F137-L139 HydrophobicContact CD1-CD1 4.32Å; F137-L139 HydrophobicContact CD1-CD2 4.3Å; F137-L139 HydrophobicContact CD1-CG 3.86Å; F137-L139 HydrophobicContact CE1-CD1 3.85Å; F137-L139 HydrophobicContact CE1-CD2 3.5Å; F137-L139 VanDerWaalsContact CE1-CD2 3.5Å; F137-L139 HydrophobicContact CE1-CG 3.48Å; F137-L139 VanDerWaalsContact CE1-CG 3.48Å; F137-L139 HydrophobicContact CZ-CD2 4.21Å; L139-T141 PolarHBondContact O-N 3.36Å; L139-L144 HydrophobicContact CB-CD1 3.89Å; L139-L144 HydrophobicContact CD1-CD1 3.99Å; L139-L144 HydrophobicContact CD1-CD2 4.13Å; L139-V171 PolarHBondContact N-O 3.33Å; L139-L172 HydrophobicContact CB-CD2 4.31Å; L139-L172 CarbonylContact O-C 3.6Å; L139-L172 WeakPolarHBondContact O-CA 3.37Å; L139-T173 PolarHBondContact O-N 2.79Å; L139-T173 PolarHBondContact O-OG1 3.41Å; L139-Y229 HydrophobicContact CD1-CE1 3.7Å; L139-Y229 WeakPolarHBondContact CD1-OH 3.39Å
140D91.1Very high86.9Confident5 Ų533.4 Ų33.43%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-73.3124.7173.3171.6-11.5000109.8Q142 F143 K174D140-Q142 PolarHBondContact O-N 3.4Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.4Å; D140-Q142 PolarHBondContact OD1-N 3.35Å; D140-F143 HydrophobicContact CB-CD2 3.61Å; D140-F143 HydrophobicContact CB-CE2 3.99Å; D140-F143 WeakPolarHBondContact O-CB 3.36Å; D140-F143 PolarHBondContact O-N 3.38Å; D140-K174 HydrophobicContact CB-CD 4.45Å; D140-K174 WeakPolarHBondContact OD2-CD 2.96Å; D140-K174 WeakPolarHBondContact OD2-CE 3.48Å; D140-K174 IonicContact OD2-NZ 3.11Å; D140-K174 PolarHBondContact OD2-NZ 2.8Å
141T86.3Confident86.3Confident0 Ų029.3 Ų29.30%015%0.147CC..G310 helixtrans-57.1-30.1-177.654.60000114.2L139 F143 L144 L172 T173 K174 M175 L178 L186L139-T141 PolarHBondContact O-N 3.36Å; T141-F143 PolarHBondContact O-N 2.63Å; T141-L144 PolarHBondContact O-N 3.12Å; T141-L172 HydrophobicContact CG2-CB 3.79Å; T141-T173 WeakPolarHBondContact CB-O 3.2Å; T141-T173 WeakPolarHBondContact CG2-O 3.41Å; T141-T173 PolarHBondContact N-O 2.97Å; T141-T173 PolarHBondContact OG1-O 2.92Å; T141-T173 VanDerWaalsContact OG1-O 3.13Å; T141-K174 PolarHBondContact OG1-O 3.04Å; T141-M175 HydrophobicContact CG2-CG 4.1Å; T141-M175 HydrophobicContact CG2-SD 3.36Å; T141-M175 WeakPolarHBondContact CG2-SD 3.21Å; T141-L178 HydrophobicContact CG2-CD1 4.04Å; T141-L178 WeakPolarHBondContact OG1-CG 3.3Å; T141-L186 HydrophobicContact CG2-CD2 3.76Å
142Q81.6Confident85.9Confident99 Ų9932.6 Ų32.646%0.46317%0.171SC..G310 helixtrans-65.8-25177.9-61.8-173.3-15.300112.2D140 L144 L178D140-Q142 PolarHBondContact O-N 3.4Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.4Å; D140-Q142 PolarHBondContact OD1-N 3.35Å; Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L178 HydrophobicContact CG-CD2 4.43Å
143F76.9Confident85.6Confident122 Ų12232.2 Ų32.254%0.53517%0.17SC..G310 helixtrans-76.6-16.4174.9-71.9-91.6000112.9D140 T141 K149D140-F143 HydrophobicContact CB-CD2 3.61Å; D140-F143 HydrophobicContact CB-CE2 3.99Å; D140-F143 WeakPolarHBondContact O-CB 3.36Å; D140-F143 PolarHBondContact O-N 3.38Å; T141-F143 PolarHBondContact O-N 2.63Å; F143-K149 WeakPolarHBondContact O-CB 3.34Å; F143-K149 VanDerWaalsContact O-CD 3.22Å; F143-K149 WeakPolarHBondContact O-CD 3.45Å
144L76.8Confident85.2Confident2 Ų231.9 Ų31.91%0.0117%0.168CC..G310 helixtrans-106.212.1-169.7-59.4172.7000113.7L139 T141 Q142 D146 F150 L172 L186L139-L144 HydrophobicContact CB-CD1 3.89Å; L139-L144 HydrophobicContact CD1-CD1 3.99Å; L139-L144 HydrophobicContact CD1-CD2 4.13Å; T141-L144 PolarHBondContact O-N 3.12Å; Q142-L144 VanDerWaalsContact C-N 3.28Å; L144-D146 PolarHBondContact O-N 3.49Å; L144-F150 HydrophobicContact CB-CD2 4.29Å; L144-F150 HydrophobicContact CD2-CB 4.35Å; L144-F150 HydrophobicContact CD2-CD2 4.21Å; L144-L172 HydrophobicContact CD1-CD2 3.08Å; L144-L186 HydrophobicContact CB-CD1 4.18Å
145L75.6Confident84.8Confident45 Ų4535.2 Ų35.224%0.23619%0.186CC..SBendtrans-72.9-15.3179.4-61.2178.8000113.9L178L145-L178 HydrophobicContact CD2-CD2 4.32Å
146D77.8Confident84.5Confident76 Ų7636.3 Ų36.341%0.40620%0.195SC..SBendtrans-112.6135.5178.6-58.2-50.2000111L144 K149 F150L144-D146 PolarHBondContact O-N 3.49Å; D146-K149 HydrophobicContact CB-CB 4.35Å; D146-K149 HydrophobicContact CB-CD 4.03Å; D146-K149 HydrophobicContact CB-CG 4.09Å; D146-K149 PolarHBondContact O-N 3.15Å; D146-K149 WeakPolarHBondContact OD2-CD 3.3Å; D146-K149 WeakPolarHBondContact OD2-CE 3.48Å; D146-K149 IonicContact OD2-NZ 3.69Å; D146-K149 PolarHBondContact OD2-NZ 3.47Å; D146-F150 PolarHBondContact O-N 3.3Å
147V74.6Confident84.2Confident15 Ų1536.3 Ų36.39%0.09120%0.195CC..Hα-helixtrans-52.3-49.7-178.6-167.40000112.7K149 F150 M151 F189 V200 T214V147-K149 VanDerWaalsContact C-N 3.26Å; V147-K149 PolarHBondContact O-N 2.96Å; V147-F150 PolarHBondContact O-N 3.42Å; V147-M151 HydrophobicContact CG1-CG 4.25Å; V147-M151 VanDerWaalsContact O-CG 3.26Å; V147-M151 WeakPolarHBondContact O-CG 3.42Å; V147-M151 PolarHBondContact O-N 2.96Å; V147-F189 HydrophobicContact CB-CE1 4.22Å; V147-F189 HydrophobicContact CG1-CE1 4.35Å; V147-F189 HydrophobicContact CG2-CE1 3.63Å; V147-F189 HydrophobicContact CG2-CZ 3.73Å; V147-V200 HydrophobicContact CB-CG2 3.8Å; V147-V200 HydrophobicContact CG1-CG2 4.13Å; V147-V200 HydrophobicContact CG2-CG2 3.42Å; V147-V200 VanDerWaalsContact CG2-CG2 3.42Å; V147-T214 HydrophobicContact CG1-CG2 4.4Å
148P78.3Confident83.9Confident72 Ų7237.1 Ų37.147%0.46820%0.199SC..Hα-helixtrans-62.8-33.9-178.7-22.635.7000113S152P148-S152 WeakPolarHBondContact O-CB 3.4Å; P148-S152 PolarHBondContact O-N 3.32Å
149K82.3Confident83.7Confident108 Ų10839.4 Ų39.447%0.4722%0.215SC..Hα-helixtrans-72.5-41.1177.2-62.3179-177.9158.50111.2F143 D146 V147 M151 S152 G153F143-K149 WeakPolarHBondContact O-CB 3.34Å; F143-K149 VanDerWaalsContact O-CD 3.22Å; F143-K149 WeakPolarHBondContact O-CD 3.45Å; D146-K149 HydrophobicContact CB-CB 4.35Å; D146-K149 HydrophobicContact CB-CD 4.03Å; D146-K149 HydrophobicContact CB-CG 4.09Å; D146-K149 PolarHBondContact O-N 3.15Å; D146-K149 WeakPolarHBondContact OD2-CD 3.3Å; D146-K149 WeakPolarHBondContact OD2-CE 3.48Å; D146-K149 IonicContact OD2-NZ 3.69Å; D146-K149 PolarHBondContact OD2-NZ 3.47Å; V147-K149 VanDerWaalsContact C-N 3.26Å; V147-K149 PolarHBondContact O-N 2.96Å; K149-M151 VanDerWaalsContact C-N 3.35Å; K149-M151 PolarHBondContact O-N 2.94Å; K149-S152 PolarHBondContact O-N 3.49Å; K149-G153 PolarHBondContact O-N 2.91Å
150F80.9Confident83.7Confident16 Ų1638.9 Ų38.97%0.0721%0.213CC..Hα-helixtrans-57.3-47.4172.4177.2-97.7000112.1L144 D146 V147 S152 G153 S154 F189 Y229L144-F150 HydrophobicContact CB-CD2 4.29Å; L144-F150 HydrophobicContact CD2-CB 4.35Å; L144-F150 HydrophobicContact CD2-CD2 4.21Å; D146-F150 PolarHBondContact O-N 3.3Å; V147-F150 PolarHBondContact O-N 3.42Å; F150-S152 PolarHBondContact O-N 3.37Å; F150-G153 PolarHBondContact O-N 2.93Å; F150-S154 WeakPolarHBondContact O-CB 3.45Å; F150-S154 PolarHBondContact O-N 3.16Å; F150-S154 PolarHBondContact O-OG 2.69Å; F150-F189 HydrophobicContact CD1-CD1 4.25Å; F150-F189 HydrophobicContact CD2-CB 4.18Å; F150-F189 HydrophobicContact CE2-CB 4.07Å; F150-F189 HydrophobicContact CG-CB 4.46Å; F150-F189 HydrophobicContact CG-CD1 4.32Å; F150-F189 HydrophobicContact CG-CG 4.46Å; F150-F189 HydrophobicContact CZ-CB 4.24Å; F150-F189 WeakPolarHBondContact CZ-O 3.42Å; F150-Y229 AromaticContact CE2-CD2 3.93Å; F150-Y229 HydrophobicContact CE2-CD2 3.93Å; F150-Y229 AromaticContact CE2-CE2 3.55Å; F150-Y229 HydrophobicContact CE2-CE2 3.55Å; F150-Y229 HydrophobicContact CZ-CD2 4.21Å; F150-Y229 AromaticContact CZ-CE2 3.84Å; F150-Y229 HydrophobicContact CZ-CE2 3.84Å
151M80.7Confident83.6Confident10 Ų1041.1 Ų41.15%0.04922%0.223CC..Hα-helixtrans-61.4-44.1175.9-65.5-54.3-64.200111.7V147 K149 S154 L155 L217 S218 L221V147-M151 HydrophobicContact CG1-CG 4.25Å; V147-M151 VanDerWaalsContact O-CG 3.26Å; V147-M151 WeakPolarHBondContact O-CG 3.42Å; V147-M151 PolarHBondContact O-N 2.96Å; K149-M151 VanDerWaalsContact C-N 3.35Å; K149-M151 PolarHBondContact O-N 2.94Å; M151-S154 PolarHBondContact O-N 2.99Å; M151-L155 WeakPolarHBondContact O-CB 3.23Å; M151-L155 VanDerWaalsContact O-CG 3.3Å; M151-L155 WeakPolarHBondContact O-CG 3.18Å; M151-L155 PolarHBondContact O-N 3.23Å; M151-L217 HydrophobicContact CE-CB 3.32Å; M151-S218 VanDerWaalsContact CE-N 3.33Å; M151-L221 HydrophobicContact CE-CD1 3.35Å; M151-L221 HydrophobicContact CE-CG 4.03Å; M151-L221 HydrophobicContact SD-CD1 3.58Å; M151-L221 VanDerWaalsContact SD-CD1 3.58Å
152S85.1Confident83.8Confident79 Ų7947.1 Ų47.155%0.55225%0.254SS*.Hα-helixtrans-62-43.6176.9-170.20000112.1P148 K149 F150 L155 A156P148-S152 WeakPolarHBondContact O-CB 3.4Å; P148-S152 PolarHBondContact O-N 3.32Å; K149-S152 PolarHBondContact O-N 3.49Å; F150-S152 PolarHBondContact O-N 3.37Å; S152-L155 PolarHBondContact O-N 2.86Å; S152-A156 WeakPolarHBondContact O-CB 3.35Å; S152-A156 PolarHBondContact O-N 3.44Å
153G87.4Confident84.2Confident10 Ų1044.1 Ų44.110%0.10324%0.241CC..Hα-helixtrans-64-41.6176.700000112.3K149 F150 A156 A157K149-G153 PolarHBondContact O-N 2.91Å; F150-G153 PolarHBondContact O-N 2.93Å; G153-A156 PolarHBondContact O-N 2.9Å; G153-A157 WeakPolarHBondContact O-CB 3.29Å; G153-A157 PolarHBondContact O-N 2.96Å
154S85.9Confident84.9Confident0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-64.7-42176.7-60.10000112.1F150 M151 A157 L158 Y229F150-S154 WeakPolarHBondContact O-CB 3.45Å; F150-S154 PolarHBondContact O-N 3.16Å; F150-S154 PolarHBondContact O-OG 2.69Å; M151-S154 PolarHBondContact O-N 2.99Å; S154-A157 PolarHBondContact O-N 3.35Å; S154-L158 WeakPolarHBondContact O-CG 3.34Å; S154-L158 PolarHBondContact O-N 3.45Å; S154-Y229 WeakPolarHBondContact CA-OH 3.46Å; S154-Y229 PolarHBondContact OG-OH 2.76Å
155L87.9Confident85.6Confident69 Ų6943.8 Ų43.836%0.36124%0.241SC..Hα-helixtrans-67.5-37.9175.8-70.9173.5000112.3M151 S152 L158 S159 L217M151-L155 WeakPolarHBondContact O-CB 3.23Å; M151-L155 VanDerWaalsContact O-CG 3.3Å; M151-L155 WeakPolarHBondContact O-CG 3.18Å; M151-L155 PolarHBondContact O-N 3.23Å; S152-L155 PolarHBondContact O-N 2.86Å; L155-L158 PolarHBondContact O-N 3.21Å; L155-S159 WeakPolarHBondContact O-CB 3.31Å; L155-S159 PolarHBondContact O-N 3.37Å; L155-L217 HydrophobicContact CD1-CD1 4.23Å; L155-L217 HydrophobicContact CD1-CD2 4.42Å; L155-L217 HydrophobicContact CD2-CD2 4.41Å
156A89.4Confident86.3Confident23 Ų2342.3 Ų42.319%0.1923%0.234CC..Hα-helixtrans-64.2-43.6174.600000111.5F137 S152 G153 L158 S159 A160F137-A156 HydrophobicContact CZ-CB 4.42Å; S152-A156 WeakPolarHBondContact O-CB 3.35Å; S152-A156 PolarHBondContact O-N 3.44Å; G153-A156 PolarHBondContact O-N 2.9Å; A156-L158 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 2.94Å; A156-S159 PolarHBondContact O-N 3.31Å; A156-A160 PolarHBondContact O-N 2.95Å
157A89.3Confident87Confident0 Ų041.7 Ų41.70%023%0.234CC..Hα-helixtrans-59.8-44.3174.100000111.6F137 G153 S154 A160 M161 N170F137-A157 HydrophobicContact CD1-CB 3.72Å; F137-A157 HydrophobicContact CE1-CB 3.64Å; F137-A157 HydrophobicContact CG-CB 4.18Å; F137-A157 HydrophobicContact CZ-CB 4.09Å; G153-A157 WeakPolarHBondContact O-CB 3.29Å; G153-A157 PolarHBondContact O-N 2.96Å; S154-A157 PolarHBondContact O-N 3.35Å; A157-A160 PolarHBondContact O-N 3.24Å; A157-M161 WeakPolarHBondContact O-CB 3.49Å; A157-M161 PolarHBondContact O-N 3.47Å; A157-N170 WeakPolarHBondContact CB-OD1 3.22Å
158L88.4Confident87.8Confident17 Ų1742.3 Ų42.39%0.08924%0.235CC..Hα-helixtrans-64.2-41.4175.7-77.6168.4000113S154 L155 A156 A160 M161 I162 L221 L226 V227S154-L158 WeakPolarHBondContact O-CG 3.34Å; S154-L158 PolarHBondContact O-N 3.45Å; L155-L158 PolarHBondContact O-N 3.21Å; A156-L158 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 2.94Å; L158-A160 VanDerWaalsContact C-N 3.31Å; L158-A160 PolarHBondContact O-N 2.84Å; L158-M161 HydrophobicContact CD2-CE 4.35Å; L158-M161 HydrophobicContact CD2-SD 4.23Å; L158-M161 PolarHBondContact O-N 2.95Å; L158-I162 WeakPolarHBondContact O-CG1 3.26Å; L158-I162 PolarHBondContact O-N 2.72Å; L158-L221 HydrophobicContact CD1-CD2 3.47Å; L158-L221 VanDerWaalsContact CD1-CD2 3.47Å; L158-L226 HydrophobicContact CD1-CB 4.08Å; L158-L226 HydrophobicContact CD1-CD1 4.25Å; L158-L226 HydrophobicContact CD2-CB 3.66Å; L158-L226 HydrophobicContact CD2-CD2 4.42Å; L158-L226 HydrophobicContact CD2-CG 4.38Å; L158-L226 HydrophobicContact CG-CB 4.43Å; L158-V227 HydrophobicContact CD1-CG2 3.69Å; L158-V227 HydrophobicContact CD2-CG2 3.79Å; L158-V227 HydrophobicContact CG-CG2 3.46Å; L158-V227 VanDerWaalsContact CG-CG2 3.46Å
159S90.6Very high88.5Confident49 Ų4939.4 Ų39.434%0.34322%0.217SC..Hα-helixtrans-61.1-43175.8-169.40000111.1L155 A156 N163L155-S159 WeakPolarHBondContact O-CB 3.31Å; L155-S159 PolarHBondContact O-N 3.37Å; A156-S159 PolarHBondContact O-N 3.31Å; S159-N163 VanDerWaalsContact O-CB 3.3Å; S159-N163 WeakPolarHBondContact O-CB 3.43Å; S159-N163 PolarHBondContact O-N 3.42Å
160A90.8Very high88.9Confident0 Ų034.5 Ų34.50%020%0.195CC..Hα-helixtrans-65.5-43.4176.200000111.8I8 F137 A156 A157 L158 I162 N163 L164I8-A160 HydrophobicContact CD1-CB 4.2Å; F137-A160 HydrophobicContact CD2-CB 4.17Å; F137-A160 HydrophobicContact CE2-CB 4.06Å; A156-A160 PolarHBondContact O-N 2.95Å; A157-A160 PolarHBondContact O-N 3.24Å; L158-A160 VanDerWaalsContact C-N 3.31Å; L158-A160 PolarHBondContact O-N 2.84Å; A160-I162 PolarHBondContact O-N 2.84Å; A160-N163 PolarHBondContact O-N 3.15Å; A160-L164 WeakPolarHBondContact O-CB 3.33Å; A160-L164 WeakPolarHBondContact O-CG 3.46Å; A160-L164 PolarHBondContact O-N 3.27Å
161M89.8Confident89.5Confident51 Ų5133.7 Ų33.725%0.25119%0.192SC..Hα-helixtrans-57.4-47.2176.1-178.8-166.8-67.600112A157 L158 E165 H168A157-M161 WeakPolarHBondContact O-CB 3.49Å; A157-M161 PolarHBondContact O-N 3.47Å; L158-M161 HydrophobicContact CD2-CE 4.35Å; L158-M161 HydrophobicContact CD2-SD 4.23Å; L158-M161 PolarHBondContact O-N 2.95Å; M161-E165 PolarHBondContact O-N 2.99Å; M161-E165 VanDerWaalsContact O-N 3.13Å; M161-H168 HydrophobicContact CB-CB 4.11Å; M161-H168 HydrophobicContact CE-CB 3.72Å; M161-H168 HydrophobicContact CG-CB 3.73Å; M161-H168 HydrophobicContact SD-CB 4.44Å
162I89.4Confident90.1Very high126 Ų12633.2 Ų33.265%0.64619%0.19SC*.Hα-helixtrans-65.7-42.6178.5-68.3168.1000110.8L158 A160 E165L158-I162 WeakPolarHBondContact O-CG1 3.26Å; L158-I162 PolarHBondContact O-N 2.72Å; A160-I162 PolarHBondContact O-N 2.84Å; I162-E165 WeakPolarHBondContact O-CG 3.48Å
163N91Very high90.5Very high36 Ų3629.8 Ų29.819%0.19317%0.165CC..Hα-helixtrans-72.4-36.2-175.8-169.648.2000112.9Y113 S159 A160Y113-N163 WeakPolarHBondContact O-CB 3.43Å; Y113-N163 PolarHBondContact O-ND2 2.89Å; S159-N163 VanDerWaalsContact O-CB 3.3Å; S159-N163 WeakPolarHBondContact O-CB 3.43Å; S159-N163 PolarHBondContact O-N 3.42Å; A160-N163 PolarHBondContact O-N 3.15Å
164L91Very high90.7Very high2 Ų231.9 Ų31.91%0.0117%0.172CC..Hα-helixtrans-83.5-21.1-179.4-64.7176.4000113.5I8 M119 V123 A135 A160 L166I8-L164 HydrophobicContact CD1-CD1 3.49Å; I8-L164 VanDerWaalsContact CD1-CD1 3.49Å; M119-L164 HydrophobicContact CB-CD2 3.84Å; V123-L164 HydrophobicContact CG2-CD2 4.2Å; A135-L164 HydrophobicContact CB-CD1 4.25Å; A160-L164 WeakPolarHBondContact O-CB 3.33Å; A160-L164 WeakPolarHBondContact O-CG 3.46Å; A160-L164 PolarHBondContact O-N 3.27Å; L164-L166 VanDerWaalsContact C-N 3.31Å; L164-L166 PolarHBondContact O-N 3.44Å
165E90.7Very high90.8Very high115 Ų11532.8 Ų32.854%0.53718%0.176SC..THydrogen-bonded Turntrans53.347.9179.7-58.7174.3-165.400112.2K120 K127 M161 I162K120-E165 IonicContact NZ-OE1 2.84Å; K120-E165 PolarHBondContact NZ-OE1 3.3Å; K120-E165 IonicContact NZ-OE2 2.73Å; K127-E165 PolarHBondContact NZ-O 2.6Å; M161-E165 PolarHBondContact O-N 2.99Å; M161-E165 VanDerWaalsContact O-N 3.13Å; I162-E165 WeakPolarHBondContact O-CG 3.48Å
166L91.6Very high90.9Very high15 Ų1532.1 Ų32.18%0.07917%0.173CC..SBendtrans-128.1152.7179.4-71.5179.5000111.4I6 V123 L133 A135 L164 H168I6-L166 HydrophobicContact CD1-CD1 3.74Å; V123-L166 HydrophobicContact CG1-CD1 3.81Å; V123-L166 HydrophobicContact CG1-CD2 3.94Å; V123-L166 HydrophobicContact CG1-CG 3.91Å; V123-L166 HydrophobicContact CG2-CD1 3.94Å; L133-L166 HydrophobicContact CB-CD1 4Å; L133-L166 HydrophobicContact CB-CD2 3.7Å; L133-L166 HydrophobicContact CD1-CD2 4.43Å; A135-L166 HydrophobicContact CB-CB 4.28Å; A135-L166 HydrophobicContact CB-CD1 4.39Å; L164-L166 VanDerWaalsContact C-N 3.31Å; L164-L166 PolarHBondContact O-N 3.44Å; L166-H168 PolarHBondContact O-N 3.21Å
167P91.7Very high91Very high63 Ų6335.6 Ų35.641%0.40919%0.188SC..  trans-50.2132.3159.3-21.932.3000109.5L133 C134 A135 A250L133-P167 WeakPolarHBondContact O-CD 3.37Å; C134-P167 CarbonylContact C-O 3.28Å; C134-P167 WeakPolarHBondContact CA-O 3.46Å; C134-P167 PolarHBondContact SG-O 2.99Å; A135-P167 PolarHBondContact N-O 3.5Å; P167-A250 HydrophobicContact CB-CB 4.18Å
168H90.8Very high90.8Very high27 Ų2736.3 Ų36.313%0.12519%0.191CC..EExtended strand (participates in β ladder)trans-130.8122.2-167.8-167.9-86.8000110.7A135 F137 M161 L166 N170A135-H168 CarbonylContact O-C 3.57Å; A135-H168 VanDerWaalsContact O-CA 3.31Å; A135-H168 WeakPolarHBondContact O-CA 3.24Å; F137-H168 WeakPolarHBondContact CB-CE1 3.35Å; F137-H168 WeakPolarHBondContact CB-NE2 3.41Å; F137-H168 AromaticContact CD2-CE1 3.96Å; F137-H168 AromaticContact CD2-NE2 3.77Å; F137-H168 AromaticContact CG-CE1 3.62Å; F137-H168 AromaticContact CG-NE2 3.85Å; M161-H168 HydrophobicContact CB-CB 4.11Å; M161-H168 HydrophobicContact CE-CB 3.72Å; M161-H168 HydrophobicContact CG-CB 3.73Å; M161-H168 HydrophobicContact SD-CB 4.44Å; L166-H168 PolarHBondContact O-N 3.21Å; H168-N170 PolarHBondContact CE1-OD1 2.86Å; H168-N170 PolarHBondContact ND1-OD1 3.1Å
169V93Very high90.7Very high12 Ų1238.3 Ų38.37%0.07321%0.211CC..EExtended strand (participates in β ladder)trans-109.5116.8177.8177.80000108.1A135 V136 F137 V171 V230 L243 I246 I247 A250A135-V169 PolarHBondContact O-N 2.87Å; V136-V169 CarbonylContact C-O 3.52Å; V136-V169 WeakPolarHBondContact CA-O 3.5Å; F137-V169 PolarHBondContact N-O 3.4Å; V169-V171 HydrophobicContact CG1-CG2 4.04Å; V169-V230 HydrophobicContact CG1-CG2 4.22Å; V169-L243 HydrophobicContact CG1-CD1 3.8Å; V169-I246 HydrophobicContact CG1-CG2 4.3Å; V169-I246 HydrophobicContact CG2-CG2 4.09Å; V169-I247 HydrophobicContact CB-CG1 4.31Å; V169-I247 HydrophobicContact CG1-CG1 4.25Å; V169-I247 HydrophobicContact CG2-CG1 4.11Å; V169-A250 HydrophobicContact CG2-CB 4.43Å
170N91.9Very high90.4Very high4 Ų442 Ų422%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-88.7125.1176.7-45.7-73.6000109.5F137 A157 H168 V227 K228 Y229 V230F137-N170 CarbonylContact O-C 3.58Å; F137-N170 WeakPolarHBondContact O-CA 3.43Å; A157-N170 WeakPolarHBondContact CB-OD1 3.22Å; H168-N170 PolarHBondContact CE1-OD1 2.86Å; H168-N170 PolarHBondContact ND1-OD1 3.1Å; N170-V227 HydrophobicContact CB-CG1 4.35Å; N170-V227 WeakPolarHBondContact ND2-CG1 3.37Å; N170-K228 WeakPolarHBondContact CB-O 3.47Å; N170-K228 PolarHBondContact ND2-O 3.22Å; N170-Y229 HydrophobicContact CB-CD1 3.39Å; N170-Y229 HydrophobicContact CB-CE1 3.48Å; N170-Y229 VanDerWaalsContact CB-CE1 3.48Å; N170-Y229 HydrophobicContact CB-CG 4.18Å; N170-Y229 CarbonylContact O-C 3.59Å; N170-Y229 WeakPolarHBondContact O-CA 3.34Å; N170-V230 PolarHBondContact O-N 2.95Å
171V93.3Very high89.9Confident0 Ų046.3 Ų46.30%025%0.252CS..EExtended strand (participates in β ladder)trans-116.9129-174.9-177.60000109.6V136 F137 T138 L139 V169 T173 V230 L232 L243V136-V171 HydrophobicContact CG1-CB 4.44Å; V136-V171 HydrophobicContact CG1-CG2 3.58Å; F137-V171 PolarHBondContact O-N 3.06Å; T138-V171 CarbonylContact C-O 3.53Å; T138-V171 WeakPolarHBondContact CA-O 3.4Å; L139-V171 PolarHBondContact N-O 3.33Å; V169-V171 HydrophobicContact CG1-CG2 4.04Å; V171-T173 HydrophobicContact CG1-CG2 4.12Å; V171-V230 WeakPolarHBondContact CA-O 3.39Å; V171-L232 HydrophobicContact CG1-CB 3.57Å; V171-L232 HydrophobicContact CG1-CD2 3.92Å; V171-L232 HydrophobicContact CG1-CG 4.39Å; V171-L243 HydrophobicContact CG1-CD2 3.84Å; V171-L243 HydrophobicContact CG2-CD1 3.66Å; V171-L243 HydrophobicContact CG2-CD2 3.92Å; V171-L243 HydrophobicContact CG2-CG 4.45Å
172L92.3Very high89.5Confident0 Ų045.2 Ų45.20%025%0.25CC..EExtended strand (participates in β ladder)trans-95106.4173.1-65172.8000108.8L139 T141 L144 L186 I190 Y229 V230 L232L139-L172 HydrophobicContact CB-CD2 4.31Å; L139-L172 CarbonylContact O-C 3.6Å; L139-L172 WeakPolarHBondContact O-CA 3.37Å; T141-L172 HydrophobicContact CG2-CB 3.79Å; L144-L172 HydrophobicContact CD1-CD2 3.08Å; L172-L186 HydrophobicContact CD1-CD1 4.26Å; L172-L186 HydrophobicContact CD1-CD2 4.07Å; L172-L186 HydrophobicContact CD1-CG 4.22Å; L172-I190 HydrophobicContact CD1-CD1 3.5Å; L172-I190 VanDerWaalsContact CD1-CD1 3.5Å; L172-I190 HydrophobicContact CD1-CG1 3.7Å; L172-Y229 VanDerWaalsContact CD1-CB 3.48Å; L172-Y229 HydrophobicContact CD1-CD1 4.18Å; L172-Y229 HydrophobicContact CD1-CG 3.88Å; L172-Y229 HydrophobicContact CD2-CD1 3.56Å; L172-Y229 HydrophobicContact CD2-CE1 3.96Å; L172-Y229 HydrophobicContact CD2-CG 4.02Å; L172-Y229 HydrophobicContact CG-CD1 3.6Å; L172-Y229 HydrophobicContact CG-CE1 4.48Å; L172-Y229 HydrophobicContact CG-CG 3.84Å; L172-V230 PolarHBondContact N-O 3.37Å; L172-L232 PolarHBondContact O-N 3.32Å
173T93.5Very high89.1Confident6 Ų641.2 Ų41.24%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-90.4163.7-175.862.50000111.8S13 T138 L139 T141 V171 M175 L232S13-T173 WeakPolarHBondContact O-CB 3.37Å; S13-T173 WeakPolarHBondContact O-CG2 3.27Å; S13-T173 PolarHBondContact O-OG1 3.36Å; T138-T173 HydrophobicContact CG2-CG2 4Å; L139-T173 PolarHBondContact O-N 2.79Å; L139-T173 PolarHBondContact O-OG1 3.41Å; T141-T173 WeakPolarHBondContact CB-O 3.2Å; T141-T173 WeakPolarHBondContact CG2-O 3.41Å; T141-T173 PolarHBondContact N-O 2.97Å; T141-T173 PolarHBondContact OG1-O 2.92Å; T141-T173 VanDerWaalsContact OG1-O 3.13Å; V171-T173 HydrophobicContact CG1-CG2 4.12Å; T173-M175 VanDerWaalsContact C-N 3.34Å; T173-M175 PolarHBondContact O-N 3.34Å; T173-L232 HydrophobicContact CG2-CD2 4.45Å
174K91.6Very high88.5Confident55 Ų5548 Ų4824%0.23925%0.251CS..  trans64.733.8176.7-46.9-175-167.71700113.8G12 D140 T141 D176 L177G12-K174 WeakPolarHBondContact O-CE 3.37Å; G12-K174 PolarHBondContact O-NZ 2.82Å; D140-K174 HydrophobicContact CB-CD 4.45Å; D140-K174 WeakPolarHBondContact OD2-CD 2.96Å; D140-K174 WeakPolarHBondContact OD2-CE 3.48Å; D140-K174 IonicContact OD2-NZ 3.11Å; D140-K174 PolarHBondContact OD2-NZ 2.8Å; T141-K174 PolarHBondContact OG1-O 3.04Å; K174-D176 VanDerWaalsContact C-OD1 3.26Å; K174-D176 VanDerWaalsContact CA-OD1 3.23Å; K174-D176 WeakPolarHBondContact CA-OD1 3.37Å; K174-D176 PolarHBondContact O-N 3.13Å; K174-L177 HydrophobicContact CB-CB 4.45Å; K174-L177 HydrophobicContact CB-CD1 3.99Å; K174-L177 HydrophobicContact CB-CG 4.18Å; K174-L177 HydrophobicContact CD-CD1 3.96Å; K174-L177 HydrophobicContact CG-CD1 4.38Å; K174-L177 PolarHBondContact O-N 2.89Å; K174-L177 VanDerWaalsContact O-N 3.11Å
175M89.8Confident87.7Confident18 Ų1854.7 Ų54.79%0.08928%0.276CS..G310 helixtrans-60.9-27.3176.1-70.8-66.5-66.300112.3T141 T173 L177 L178 K183 L186 P231 L232 D233T141-M175 HydrophobicContact CG2-CG 4.1Å; T141-M175 HydrophobicContact CG2-SD 3.36Å; T141-M175 WeakPolarHBondContact CG2-SD 3.21Å; T173-M175 VanDerWaalsContact C-N 3.34Å; T173-M175 PolarHBondContact O-N 3.34Å; M175-L177 PolarHBondContact O-N 3.49Å; M175-L178 HydrophobicContact CE-CD1 4.28Å; M175-L178 PolarHBondContact O-N 3.3Å; M175-L178 HydrophobicContact SD-CD1 3.83Å; M175-K183 HydrophobicContact CE-CG 4.36Å; M175-K183 WeakPolarHBondContact O-CE 3.48Å; M175-K183 PolarHBondContact O-NZ 2.99Å; M175-L186 HydrophobicContact CE-CD2 4.24Å; M175-L186 HydrophobicContact SD-CD2 3.68Å; M175-P231 HydrophobicContact CE-CB 3.92Å; M175-P231 HydrophobicContact CG-CB 3.94Å; M175-P231 HydrophobicContact SD-CB 4.09Å; M175-L232 WeakPolarHBondContact CB-O 3.41Å; M175-L232 WeakPolarHBondContact CG-O 3.16Å; M175-L232 PolarHBondContact N-O 2.85Å; M175-D233 HydrophobicContact CB-CB 4.05Å
176D89.7Confident87.1Confident55 Ų5549.2 Ų49.229%0.29425%0.25SS..G310 helixtrans-60.2-29.9173.956.6-62000113.2K174 D233 S235K174-D176 VanDerWaalsContact C-OD1 3.26Å; K174-D176 VanDerWaalsContact CA-OD1 3.23Å; K174-D176 WeakPolarHBondContact CA-OD1 3.37Å; K174-D176 PolarHBondContact O-N 3.13Å; D176-D233 WeakPolarHBondContact CB-OD1 3.39Å; D176-S235 WeakPolarHBondContact CB-OG 3.45Å
177L90.2Very high86.3Confident96 Ų9653.6 Ų53.650%0.50327%0.27SS..G310 helixtrans-86.3-6.2-177.9-56.7-174.9000113.6K174 M175K174-L177 HydrophobicContact CB-CB 4.45Å; K174-L177 HydrophobicContact CB-CD1 3.99Å; K174-L177 HydrophobicContact CB-CG 4.18Å; K174-L177 HydrophobicContact CD-CD1 3.96Å; K174-L177 HydrophobicContact CG-CD1 4.38Å; K174-L177 PolarHBondContact O-N 2.89Å; K174-L177 VanDerWaalsContact O-N 3.11Å; M175-L177 PolarHBondContact O-N 3.49Å
178L86.9Confident85.3Confident15 Ų1551.9 Ų51.98%0.07926%0.262CS..SBendtrans-85.6135.3-179.5-66.8-179.1000112T141 Q142 L145 M175 K183 L186T141-L178 HydrophobicContact CG2-CD1 4.04Å; T141-L178 WeakPolarHBondContact OG1-CG 3.3Å; Q142-L178 HydrophobicContact CG-CD2 4.43Å; L145-L178 HydrophobicContact CD2-CD2 4.32Å; M175-L178 HydrophobicContact CE-CD1 4.28Å; M175-L178 PolarHBondContact O-N 3.3Å; M175-L178 HydrophobicContact SD-CD1 3.83Å; L178-K183 HydrophobicContact CB-CG 3.75Å; L178-K183 HydrophobicContact CD1-CG 4.16Å; L178-K183 WeakPolarHBondContact O-CE 3.46Å; L178-L186 HydrophobicContact CD1-CD2 3.83Å
179A86.2Confident84.3Confident60 Ų6051 Ų5150%0.49626%0.258SS..  trans-65.1149.4164.500000111.1S181 S182 K183A179-S181 PolarHBondContact O-N 3.4Å; A179-S181 VanDerWaalsContact O-N 3.11Å; A179-S182 WeakPolarHBondContact O-CA 3.47Å; A179-S182 WeakPolarHBondContact O-CB 3.31Å; A179-S182 PolarHBondContact O-N 2.9Å; A179-K183 PolarHBondContact O-N 2.74Å
180E83.3Confident83.2Confident126 Ų12652.6 Ų52.659%0.58927%0.265SS*.Hα-helixtrans-55.7-34-176.4-14564.1-168.200114.1S182 K183 R184E180-S182 VanDerWaalsContact C-N 3.35Å; E180-K183 PolarHBondContact O-N 2.87Å; E180-R184 PolarHBondContact O-N 2.84Å
181S80.6Confident82.1Confident90 Ų9060 Ų6063%0.62930%0.299SS*.Hα-helixtrans-67.2-35.3175.252.60000112.7A179 R185A179-S181 PolarHBondContact O-N 3.4Å; A179-S181 VanDerWaalsContact O-N 3.11Å; S181-R185 PolarHBondContact O-N 2.85Å
182S81.7Confident80.5Confident29 Ų2961.7 Ų61.720%0.20331%0.313CS..Hα-helixtrans-74.5-36.3176.8-61.70000111.6A179 E180 R185 L186A179-S182 WeakPolarHBondContact O-CA 3.47Å; A179-S182 WeakPolarHBondContact O-CB 3.31Å; A179-S182 PolarHBondContact O-N 2.9Å; E180-S182 VanDerWaalsContact C-N 3.35Å; S182-R185 PolarHBondContact O-N 3.48Å; S182-L186 PolarHBondContact O-N 2.98Å
183K80.7Confident79Confident42 Ų4263.3 Ų63.318%0.18332%0.322CS..Hα-helixtrans-56.6-49.9173.8-69.5-173.9177.6-175.10111.3M175 L178 A179 E180 R185 L186 E187M175-K183 HydrophobicContact CE-CG 4.36Å; M175-K183 WeakPolarHBondContact O-CE 3.48Å; M175-K183 PolarHBondContact O-NZ 2.99Å; L178-K183 HydrophobicContact CB-CG 3.75Å; L178-K183 HydrophobicContact CD1-CG 4.16Å; L178-K183 WeakPolarHBondContact O-CE 3.46Å; A179-K183 PolarHBondContact O-N 2.74Å; E180-K183 PolarHBondContact O-N 2.87Å; K183-R185 VanDerWaalsContact C-N 3.3Å; K183-R185 PolarHBondContact O-N 3.25Å; K183-L186 CarbonylContact O-C 3.59Å; K183-L186 WeakPolarHBondContact O-CA 3.24Å; K183-L186 WeakPolarHBondContact O-CB 3.11Å; K183-L186 PolarHBondContact O-N 3.42Å; K183-E187 WeakPolarHBondContact O-CG 3.27Å; K183-E187 PolarHBondContact O-N 2.95Å
184R77.2Confident77Confident178 Ų17865.8 Ų65.867%0.67234%0.338SS*.Hα-helixtrans-60-37.2176.4-68.2-178.8-171.7175.32.8113.6E180 L186 A188E180-R184 PolarHBondContact O-N 2.84Å; R184-L186 VanDerWaalsContact C-N 3.34Å; R184-A188 PolarHBondContact O-N 3Å
185R75.5Confident75.4Confident142 Ų14271.1 Ų71.154%0.53636%0.357SS..Hα-helixtrans-66.3-40175.6-179.5-179.7-76.9176.6-3.6110.8S181 S182 K183 A188 F189S181-R185 PolarHBondContact O-N 2.85Å; S182-R185 PolarHBondContact O-N 3.48Å; K183-R185 VanDerWaalsContact C-N 3.3Å; K183-R185 PolarHBondContact O-N 3.25Å; R185-A188 PolarHBondContact O-N 3.47Å; R185-F189 HydrophobicContact CG-CD2 4.15Å; R185-F189 HydrophobicContact CG-CE2 3.63Å; R185-F189 HydrophobicContact CG-CZ 4.47Å; R185-F189 WeakPolarHBondContact O-CD2 3.38Å; R185-F189 PolarHBondContact O-N 3.13Å
186L77.8Confident73.9Confident1 Ų171.3 Ų71.31%0.00536%0.358CS..Hα-helixtrans-69.6-40.2177.7-172.865.7000112.4T141 L144 L172 M175 L178 S182 K183 R184 A188 F189 I190T141-L186 HydrophobicContact CG2-CD2 3.76Å; L144-L186 HydrophobicContact CB-CD1 4.18Å; L172-L186 HydrophobicContact CD1-CD1 4.26Å; L172-L186 HydrophobicContact CD1-CD2 4.07Å; L172-L186 HydrophobicContact CD1-CG 4.22Å; M175-L186 HydrophobicContact CE-CD2 4.24Å; M175-L186 HydrophobicContact SD-CD2 3.68Å; L178-L186 HydrophobicContact CD1-CD2 3.83Å; S182-L186 PolarHBondContact O-N 2.98Å; K183-L186 CarbonylContact O-C 3.59Å; K183-L186 WeakPolarHBondContact O-CA 3.24Å; K183-L186 WeakPolarHBondContact O-CB 3.11Å; K183-L186 PolarHBondContact O-N 3.42Å; R184-L186 VanDerWaalsContact C-N 3.34Å; L186-A188 VanDerWaalsContact C-N 3.27Å; L186-A188 PolarHBondContact O-N 3.41Å; L186-F189 CarbonylContact O-C 3.57Å; L186-F189 WeakPolarHBondContact O-CA 3.49Å; L186-F189 WeakPolarHBondContact O-CB 3.46Å; L186-F189 PolarHBondContact O-N 3.18Å; L186-I190 HydrophobicContact CG-CD1 4.05Å; L186-I190 HydrophobicContact CG-CG1 4.41Å; L186-I190 VanDerWaalsContact O-CG1 3.28Å; L186-I190 WeakPolarHBondContact O-CG1 3.25Å; L186-I190 PolarHBondContact O-N 3.41Å
187E75.7Confident72.3Confident107 Ų10769.2 Ų69.250%0.535%0.349SS..Hα-helixtrans-55.1-44.6172.3-73.5168.9171.100111.2K183 F189 I190 E191K183-E187 WeakPolarHBondContact O-CG 3.27Å; K183-E187 PolarHBondContact O-N 2.95Å; E187-F189 VanDerWaalsContact C-N 3.3Å; E187-F189 PolarHBondContact O-N 3.01Å; E187-I190 PolarHBondContact O-N 3.47Å; E187-E191 WeakPolarHBondContact O-CG 3.5Å; E187-E191 PolarHBondContact O-N 2.95Å
188A70.8Confident70.7Confident27 Ų2769.7 Ų69.722%0.22335%0.348CS..Hα-helixtrans-59.6-40.8174.100000112R184 R185 L186 E191 A192 D193 L196R184-A188 PolarHBondContact O-N 3Å; R185-A188 PolarHBondContact O-N 3.47Å; L186-A188 VanDerWaalsContact C-N 3.27Å; L186-A188 PolarHBondContact O-N 3.41Å; A188-E191 PolarHBondContact O-N 3.43Å; A188-A192 PolarHBondContact O-N 3.03Å; A188-D193 PolarHBondContact O-N 3.04Å; A188-L196 HydrophobicContact CB-CD1 3.93Å; A188-L196 HydrophobicContact CB-CD2 4.1Å; A188-L196 HydrophobicContact CB-CG 4.48Å; A188-L196 WeakPolarHBondContact O-CD1 3.49Å
189F69.9Low69.3Low9 Ų973.4 Ų73.44%0.03937%0.372CS..Hα-helixtrans-65-40.5175.7-75.4-59.5000112.8V147 F150 R185 L186 E187 E191 A192 L196V147-F189 HydrophobicContact CB-CE1 4.22Å; V147-F189 HydrophobicContact CG1-CE1 4.35Å; V147-F189 HydrophobicContact CG2-CE1 3.63Å; V147-F189 HydrophobicContact CG2-CZ 3.73Å; F150-F189 HydrophobicContact CD1-CD1 4.25Å; F150-F189 HydrophobicContact CD2-CB 4.18Å; F150-F189 HydrophobicContact CE2-CB 4.07Å; F150-F189 HydrophobicContact CG-CB 4.46Å; F150-F189 HydrophobicContact CG-CD1 4.32Å; F150-F189 HydrophobicContact CG-CG 4.46Å; F150-F189 HydrophobicContact CZ-CB 4.24Å; F150-F189 WeakPolarHBondContact CZ-O 3.42Å; R185-F189 HydrophobicContact CG-CD2 4.15Å; R185-F189 HydrophobicContact CG-CE2 3.63Å; R185-F189 HydrophobicContact CG-CZ 4.47Å; R185-F189 WeakPolarHBondContact O-CD2 3.38Å; R185-F189 PolarHBondContact O-N 3.13Å; L186-F189 CarbonylContact O-C 3.57Å; L186-F189 WeakPolarHBondContact O-CA 3.49Å; L186-F189 WeakPolarHBondContact O-CB 3.46Å; L186-F189 PolarHBondContact O-N 3.18Å; E187-F189 VanDerWaalsContact C-N 3.3Å; E187-F189 PolarHBondContact O-N 3.01Å; F189-E191 VanDerWaalsContact C-N 3.31Å; F189-A192 WeakPolarHBondContact O-CA 3.36Å; F189-A192 PolarHBondContact O-N 3.23Å; F189-L196 HydrophobicContact CB-CD1 4.46Å; F189-L196 HydrophobicContact CD1-CB 4.39Å; F189-L196 HydrophobicContact CD1-CD1 3.62Å; F189-L196 HydrophobicContact CD1-CG 4.43Å; F189-L196 HydrophobicContact CE1-CB 4.06Å; F189-L196 HydrophobicContact CE1-CD1 4.01Å; F189-L196 HydrophobicContact CE1-CD2 4.22Å; F189-L196 HydrophobicContact CE1-CG 4.35Å; F189-L196 HydrophobicContact CG-CD1 4.14Å; F189-L196 HydrophobicContact CZ-CD2 4.49Å
190I69.2Low67.9Low44 Ų4472.4 Ų72.423%0.22636%0.359CS..Hα-helixtrans-65.8-37.6178.8-65.1163.1000110.5L172 L186 E187 A192L172-I190 HydrophobicContact CD1-CD1 3.5Å; L172-I190 VanDerWaalsContact CD1-CD1 3.5Å; L172-I190 HydrophobicContact CD1-CG1 3.7Å; L186-I190 HydrophobicContact CG-CD1 4.05Å; L186-I190 HydrophobicContact CG-CG1 4.41Å; L186-I190 VanDerWaalsContact O-CG1 3.28Å; L186-I190 WeakPolarHBondContact O-CG1 3.25Å; L186-I190 PolarHBondContact O-N 3.41Å; E187-I190 PolarHBondContact O-N 3.47Å; I190-A192 PolarHBondContact O-N 3.01Å
191E68.2Low66.4Low159 Ų15972.8 Ų72.874%0.74336%0.361SS*.THydrogen-bonded Turntrans-72.81.8173.4-68.4-176.3173.400113.1E187 A188 F189 D193E187-E191 WeakPolarHBondContact O-CG 3.5Å; E187-E191 PolarHBondContact O-N 2.95Å; A188-E191 PolarHBondContact O-N 3.43Å; F189-E191 VanDerWaalsContact C-N 3.31Å; E191-D193 PolarHBondContact O-N 3.06Å; E191-D193 VanDerWaalsContact O-N 3.13Å
192A60.8Low65Low36 Ų3676 Ų7630%0.29837%0.371SS..THydrogen-bonded Turntrans51.134.3177.200000113.4A188 F189 I190 P194 E222A188-A192 PolarHBondContact O-N 3.03Å; F189-A192 WeakPolarHBondContact O-CA 3.36Å; F189-A192 PolarHBondContact O-N 3.23Å; I190-A192 PolarHBondContact O-N 3.01Å; A192-P194 WeakPolarHBondContact O-CD 3.4Å; A192-E222 HydrophobicContact CB-CB 4.24Å; A192-E222 HydrophobicContact CB-CG 4.33Å
193D59.2Low64Low35 Ų3580.6 Ų80.619%0.18740%0.398CS..  trans-59.9114.4-175.3-175-10.2000110.3A188 E191 R195 L196A188-D193 PolarHBondContact O-N 3.04Å; E191-D193 PolarHBondContact O-N 3.06Å; E191-D193 VanDerWaalsContact O-N 3.13Å; D193-R195 PolarHBondContact O-N 3.4Å; D193-R195 WeakPolarHBondContact OD1-CB 3.49Å; D193-R195 VanDerWaalsContact OD1-CG 3.24Å; D193-R195 WeakPolarHBondContact OD1-CG 3.38Å; D193-R195 IonicContact OD1-CZ 2.7Å; D193-R195 PolarHBondContact OD1-N 2.86Å; D193-R195 IonicContact OD1-NE 3.09Å; D193-R195 PolarHBondContact OD1-NE 3.42Å; D193-R195 IonicContact OD1-NH2 3.16Å; D193-R195 IonicContact OD2-CZ 3.55Å; D193-R195 IonicContact OD2-NE 2.71Å; D193-R195 PolarHBondContact OD2-NE 3.46Å; D193-R195 IonicContact OD2-NH2 2.93Å; D193-R195 PolarHBondContact OD2-NH2 2.9Å; D193-L196 HydrophobicContact CB-CD1 3.99Å; D193-L196 HydrophobicContact CB-CG 4.21Å; D193-L196 VanDerWaalsContact O-CB 3.29Å; D193-L196 WeakPolarHBondContact O-CB 3.44Å; D193-L196 WeakPolarHBondContact O-CG 3.42Å; D193-L196 PolarHBondContact O-N 2.98Å
194P52.3Low63.3Low58 Ų5883.1 Ų83.138%0.37741%0.413SS..G310 helixtrans-61.1-18.4-176.719.9-29.3000112.6A192 L196 A197 E222A192-P194 WeakPolarHBondContact O-CD 3.4Å; P194-L196 PolarHBondContact O-N 3.1Å; P194-A197 PolarHBondContact O-N 3.28Å; P194-E222 WeakPolarHBondContact CG-OE2 3.42Å
195R57.5Low62.9Low167 Ų16785.3 Ų85.363%0.6342%0.421SS*.G310 helixtrans-64.9-19.2172.7-60.6175.9-69.2-170.91112.7D193 A197 E198 T199D193-R195 PolarHBondContact O-N 3.4Å; D193-R195 WeakPolarHBondContact OD1-CB 3.49Å; D193-R195 VanDerWaalsContact OD1-CG 3.24Å; D193-R195 WeakPolarHBondContact OD1-CG 3.38Å; D193-R195 IonicContact OD1-CZ 2.7Å; D193-R195 PolarHBondContact OD1-N 2.86Å; D193-R195 IonicContact OD1-NE 3.09Å; D193-R195 PolarHBondContact OD1-NE 3.42Å; D193-R195 IonicContact OD1-NH2 3.16Å; D193-R195 IonicContact OD2-CZ 3.55Å; D193-R195 IonicContact OD2-NE 2.71Å; D193-R195 PolarHBondContact OD2-NE 3.46Å; D193-R195 IonicContact OD2-NH2 2.93Å; D193-R195 PolarHBondContact OD2-NH2 2.9Å; R195-A197 VanDerWaalsContact C-N 3.31Å; R195-A197 PolarHBondContact O-N 3.09Å; R195-E198 WeakPolarHBondContact O-CA 3.17Å; R195-E198 VanDerWaalsContact O-CB 3.26Å; R195-E198 WeakPolarHBondContact O-CB 3.36Å; R195-E198 PolarHBondContact O-N 2.77Å; R195-T199 PolarHBondContact O-N 2.83Å; R195-T199 VanDerWaalsContact O-N 3.12Å
196L58.8Low62.6Low22 Ų2284.6 Ų84.612%0.11542%0.423CS..G310 helixtrans-68.9-30.8177-69.8163.4000112.5A188 F189 D193 P194 E198 T199A188-L196 HydrophobicContact CB-CD1 3.93Å; A188-L196 HydrophobicContact CB-CD2 4.1Å; A188-L196 HydrophobicContact CB-CG 4.48Å; A188-L196 WeakPolarHBondContact O-CD1 3.49Å; F189-L196 HydrophobicContact CB-CD1 4.46Å; F189-L196 HydrophobicContact CD1-CB 4.39Å; F189-L196 HydrophobicContact CD1-CD1 3.62Å; F189-L196 HydrophobicContact CD1-CG 4.43Å; F189-L196 HydrophobicContact CE1-CB 4.06Å; F189-L196 HydrophobicContact CE1-CD1 4.01Å; F189-L196 HydrophobicContact CE1-CD2 4.22Å; F189-L196 HydrophobicContact CE1-CG 4.35Å; F189-L196 HydrophobicContact CG-CD1 4.14Å; F189-L196 HydrophobicContact CZ-CD2 4.49Å; D193-L196 HydrophobicContact CB-CD1 3.99Å; D193-L196 HydrophobicContact CB-CG 4.21Å; D193-L196 VanDerWaalsContact O-CB 3.29Å; D193-L196 WeakPolarHBondContact O-CB 3.44Å; D193-L196 WeakPolarHBondContact O-CG 3.42Å; D193-L196 PolarHBondContact O-N 2.98Å; P194-L196 PolarHBondContact O-N 3.1Å; L196-E198 PolarHBondContact O-N 3.27Å; L196-T199 WeakPolarHBondContact CA-OG1 3.4Å; L196-T199 PolarHBondContact O-N 3.2Å; L196-T199 VanDerWaalsContact O-N 3.11Å; L196-T199 PolarHBondContact O-OG1 3Å
197A55.4Low62.2Low11 Ų1186 Ų869%0.09143%0.433CS..G310 helixtrans-64.4-23170.400000111.8P194 R195 Q215P194-A197 PolarHBondContact O-N 3.28Å; R195-A197 VanDerWaalsContact C-N 3.31Å; R195-A197 PolarHBondContact O-N 3.09Å; A197-Q215 HydrophobicContact CB-CG 4.13Å
198E56.7Low62.1Low106 Ų10686.3 Ų86.350%0.49544%0.442SS..THydrogen-bonded Turntrans-82.2-28.9173.8-51.7-173.8151.900111.8R195 L196 V200 E201R195-E198 WeakPolarHBondContact O-CA 3.17Å; R195-E198 VanDerWaalsContact O-CB 3.26Å; R195-E198 WeakPolarHBondContact O-CB 3.36Å; R195-E198 PolarHBondContact O-N 2.77Å; L196-E198 PolarHBondContact O-N 3.27Å; E198-V200 PolarHBondContact O-N 3.39Å; E198-E201 WeakPolarHBondContact O-CG 3.36Å; E198-E201 PolarHBondContact O-N 2.9Å
199T58.2Low62.7Low93 Ų9392.2 Ų92.257%0.57146%0.462SS*.SBendtrans-70.2-5.9173.759.70000114.7R195 L196 E201R195-T199 PolarHBondContact O-N 2.83Å; R195-T199 VanDerWaalsContact O-N 3.12Å; L196-T199 WeakPolarHBondContact CA-OG1 3.4Å; L196-T199 PolarHBondContact O-N 3.2Å; L196-T199 VanDerWaalsContact O-N 3.11Å; L196-T199 PolarHBondContact O-OG1 3Å; T199-E201 PolarHBondContact O-N 3.15Å
200V55.9Low63.2Low39 Ų3995.6 Ų95.624%0.23648%0.475CS..  trans-7530.2169-159.20000111.5V147 E198 D202V147-V200 HydrophobicContact CB-CG2 3.8Å; V147-V200 HydrophobicContact CG1-CG2 4.13Å; V147-V200 HydrophobicContact CG2-CG2 3.42Å; V147-V200 VanDerWaalsContact CG2-CG2 3.42Å; E198-V200 PolarHBondContact O-N 3.39Å; V200-D202 PolarHBondContact O-N 3.39Å
201E51.9Low63.7Low133 Ų13399 Ų9962%0.62149%0.485SS*.  trans-64.2122.3169.3-83.8174.9178.400109.1E198 T199E198-E201 WeakPolarHBondContact O-CG 3.36Å; E198-E201 PolarHBondContact O-N 2.9Å; T199-E201 PolarHBondContact O-N 3.15Å
202D52.9Low64.4Low159 Ų159101.6 Ų101.685%0.8549%0.488SS*.SBendtrans75.329.8156-58.2-27.7000121.9V200V200-D202 PolarHBondContact O-N 3.39Å
203V59.2Low65.5Low125 Ų125104.5 Ų104.576%0.75850%0.498SS*.SBendtrans-101-36.9179.5-161.70000115.3
204D67.2Low66.5Low95 Ų95104.4 Ų104.451%0.50850%0.499SS..  trans-159.5154.6179.7-173.229.7000114.4F206 S207 V208D204-F206 PolarHBondContact O-N 3.46Å; D204-F206 VanDerWaalsContact OD2-CB 3.25Å; D204-F206 WeakPolarHBondContact OD2-CB 3.26Å; D204-F206 PolarHBondContact OD2-N 3Å; D204-S207 WeakPolarHBondContact O-CB 3.31Å; D204-S207 PolarHBondContact O-N 3.41Å; D204-S207 VanDerWaalsContact O-N 3.12Å; D204-V208 PolarHBondContact O-N 3.02Å
205R68.7Low67.8Low223 Ų223104.8 Ų104.884%0.84250%0.496SS*.Hα-helixtrans-55.4-32.4174.4-72.9-175.8179-1760.9112.3V208 K209R205-V208 PolarHBondContact O-N 3.04Å; R205-K209 PolarHBondContact O-N 3Å; R205-K209 VanDerWaalsContact O-N 3.12Å
206F68.6Low69.1Low128 Ų128100.7 Ų100.756%0.56149%0.492SS*.Hα-helixtrans-64-45.8177.6-167.6-87.7000111.4D204 V208 K209 Y210D204-F206 PolarHBondContact O-N 3.46Å; D204-F206 VanDerWaalsContact OD2-CB 3.25Å; D204-F206 WeakPolarHBondContact OD2-CB 3.26Å; D204-F206 PolarHBondContact OD2-N 3Å; F206-V208 VanDerWaalsContact C-N 3.29Å; F206-V208 PolarHBondContact O-N 3.27Å; F206-K209 WeakPolarHBondContact O-CB 3.45Å; F206-K209 PolarHBondContact O-N 3.23Å; F206-K209 VanDerWaalsContact O-N 3.1Å; F206-Y210 AromaticContact CD1-CD2 3.61Å; F206-Y210 HydrophobicContact CD1-CD2 3.61Å; F206-Y210 HydrophobicContact CD1-CE2 4.05Å; F206-Y210 AromaticContact CD2-CD2 3.95Å; F206-Y210 HydrophobicContact CD2-CD2 3.95Å; F206-Y210 AromaticContact CD2-CE2 3.52Å; F206-Y210 HydrophobicContact CD2-CE2 3.52Å; F206-Y210 AromaticContact CE1-CD2 3.4Å; F206-Y210 HydrophobicContact CE1-CD2 3.4Å; F206-Y210 AromaticContact CE1-CE2 3.74Å; F206-Y210 HydrophobicContact CE1-CE2 3.74Å; F206-Y210 HydrophobicContact CE1-CG 4.3Å; F206-Y210 AromaticContact CE2-CD2 3.78Å; F206-Y210 HydrophobicContact CE2-CD2 3.78Å; F206-Y210 AromaticContact CE2-CE2 3.19Å; F206-Y210 HydrophobicContact CE2-CE2 3.19Å; F206-Y210 AromaticContact CG-CD2 3.87Å; F206-Y210 HydrophobicContact CG-CD2 3.87Å; F206-Y210 AromaticContact CG-CE2 3.94Å; F206-Y210 HydrophobicContact CG-CE2 3.94Å; F206-Y210 AromaticContact CZ-CD2 3.49Å; F206-Y210 HydrophobicContact CZ-CD2 3.49Å; F206-Y210 VanDerWaalsContact CZ-CD2 3.49Å; F206-Y210 AromaticContact CZ-CE2 3.29Å; F206-Y210 HydrophobicContact CZ-CE2 3.29Å; F206-Y210 HydrophobicContact CZ-CG 4.48Å; F206-Y210 VanDerWaalsContact O-CD2 3.27Å; F206-Y210 WeakPolarHBondContact O-CD2 3.29Å; F206-Y210 PolarHBondContact O-N 2.94Å
207S70.3Confident70.1Confident31 Ų31101.8 Ų101.822%0.21750%0.498CS..Hα-helixtrans-60.1-39.1178.4-55.30000112D204 R211D204-S207 WeakPolarHBondContact O-CB 3.31Å; D204-S207 PolarHBondContact O-N 3.41Å; D204-S207 VanDerWaalsContact O-N 3.12Å; S207-R211 WeakPolarHBondContact O-CA 3.22Å; S207-R211 WeakPolarHBondContact O-CB 3.1Å; S207-R211 PolarHBondContact O-N 3.06Å
208V73.8Confident71.1Confident113 Ų113102.2 Ų102.269%0.68550%0.501SS*.Hα-helixtrans-64.9-44175.1-179.60000111.2D204 R205 F206 Y210D204-V208 PolarHBondContact O-N 3.02Å; R205-V208 PolarHBondContact O-N 3.04Å; F206-V208 VanDerWaalsContact C-N 3.29Å; F206-V208 PolarHBondContact O-N 3.27Å; V208-Y210 PolarHBondContact O-N 3.09Å
209K81.6Confident72.2Confident151 Ų15199.6 Ų99.666%0.65749%0.494SS*.Hα-helixtrans-62.5-41.1-179-177.6179176-166.30112.5R205 F206R205-K209 PolarHBondContact O-N 3Å; R205-K209 VanDerWaalsContact O-N 3.12Å; F206-K209 WeakPolarHBondContact O-CB 3.45Å; F206-K209 PolarHBondContact O-N 3.23Å; F206-K209 VanDerWaalsContact O-N 3.1Å
210Y81.4Confident73.2Confident79 Ų7998.7 Ų98.731%0.3149%0.485SS..Hα-helixtrans-103.811.6-174.5-59.1-75.4000114.2F206 V208 R212 L213 T214F206-Y210 AromaticContact CD1-CD2 3.61Å; F206-Y210 HydrophobicContact CD1-CD2 3.61Å; F206-Y210 HydrophobicContact CD1-CE2 4.05Å; F206-Y210 AromaticContact CD2-CD2 3.95Å; F206-Y210 HydrophobicContact CD2-CD2 3.95Å; F206-Y210 AromaticContact CD2-CE2 3.52Å; F206-Y210 HydrophobicContact CD2-CE2 3.52Å; F206-Y210 AromaticContact CE1-CD2 3.4Å; F206-Y210 HydrophobicContact CE1-CD2 3.4Å; F206-Y210 AromaticContact CE1-CE2 3.74Å; F206-Y210 HydrophobicContact CE1-CE2 3.74Å; F206-Y210 HydrophobicContact CE1-CG 4.3Å; F206-Y210 AromaticContact CE2-CD2 3.78Å; F206-Y210 HydrophobicContact CE2-CD2 3.78Å; F206-Y210 AromaticContact CE2-CE2 3.19Å; F206-Y210 HydrophobicContact CE2-CE2 3.19Å; F206-Y210 AromaticContact CG-CD2 3.87Å; F206-Y210 HydrophobicContact CG-CD2 3.87Å; F206-Y210 AromaticContact CG-CE2 3.94Å; F206-Y210 HydrophobicContact CG-CE2 3.94Å; F206-Y210 AromaticContact CZ-CD2 3.49Å; F206-Y210 HydrophobicContact CZ-CD2 3.49Å; F206-Y210 VanDerWaalsContact CZ-CD2 3.49Å; F206-Y210 AromaticContact CZ-CE2 3.29Å; F206-Y210 HydrophobicContact CZ-CE2 3.29Å; F206-Y210 HydrophobicContact CZ-CG 4.48Å; F206-Y210 VanDerWaalsContact O-CD2 3.27Å; F206-Y210 WeakPolarHBondContact O-CD2 3.29Å; F206-Y210 PolarHBondContact O-N 2.94Å; V208-Y210 PolarHBondContact O-N 3.09Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.31Å; Y210-R212 VanDerWaalsContact O-N 3.15Å; Y210-L213 HydrophobicContact CD1-CD2 4.47Å; Y210-L213 WeakPolarHBondContact O-CA 3.45Å; Y210-L213 WeakPolarHBondContact O-CB 3.28Å; Y210-L213 PolarHBondContact O-N 3Å; Y210-T214 PolarHBondContact O-N 3.36Å; Y210-T214 PolarHBondContact O-OG1 2.91Å
211R78.5Confident74.1Confident117 Ų11797.6 Ų97.644%0.44248%0.478SS..Hα-helixtrans-49.1-45.6-178-173.9175.9-178.7161.64.4113.8S207 L213 T214 Q215S207-R211 WeakPolarHBondContact O-CA 3.22Å; S207-R211 WeakPolarHBondContact O-CB 3.1Å; S207-R211 PolarHBondContact O-N 3.06Å; R211-L213 VanDerWaalsContact C-N 3.32Å; R211-L213 PolarHBondContact O-N 3.48Å; R211-T214 PolarHBondContact O-N 2.91Å; R211-Q215 WeakPolarHBondContact O-CG 3.42Å; R211-Q215 PolarHBondContact O-N 3.21Å
212R83.5Confident75Confident212 Ų21294.6 Ų94.680%0.846%0.464SS*.Hα-helixtrans-61.9-39.6178.3-72.1-174.2177.1-178.1-0.9112.3Y210 S216Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.31Å; Y210-R212 VanDerWaalsContact O-N 3.15Å; R212-S216 PolarHBondContact O-N 3.21Å; R212-S216 PolarHBondContact O-OG 3.34Å; R212-S216 VanDerWaalsContact O-OG 3.06Å
213L84.7Confident75.7Confident97 Ų9792.8 Ų92.851%0.50845%0.454SS..Hα-helixtrans-66.1-47.9176.9175.564000110.5Y210 R211 Q215 S216 L217Y210-L213 HydrophobicContact CD1-CD2 4.47Å; Y210-L213 WeakPolarHBondContact O-CA 3.45Å; Y210-L213 WeakPolarHBondContact O-CB 3.28Å; Y210-L213 PolarHBondContact O-N 3Å; R211-L213 VanDerWaalsContact C-N 3.32Å; R211-L213 PolarHBondContact O-N 3.48Å; L213-Q215 VanDerWaalsContact C-N 3.31Å; L213-Q215 PolarHBondContact O-N 2.6Å; L213-S216 PolarHBondContact O-N 2.8Å; L213-L217 HydrophobicContact CD1-CD1 4.03Å; L213-L217 HydrophobicContact CD1-CG 4.04Å; L213-L217 HydrophobicContact CG-CD1 3.92Å; L213-L217 HydrophobicContact CG-CG 4.35Å; L213-L217 WeakPolarHBondContact O-CB 3.24Å; L213-L217 WeakPolarHBondContact O-CG 3.5Å; L213-L217 PolarHBondContact O-N 2.94Å
214T79.6Confident76Confident34 Ų3494.6 Ų94.621%0.20945%0.449CS..Hα-helixtrans-57.2-46.4177.4-53.30000111V147 Y210 R211 S216 L217 S218V147-T214 HydrophobicContact CG1-CG2 4.4Å; Y210-T214 PolarHBondContact O-N 3.36Å; Y210-T214 PolarHBondContact O-OG1 2.91Å; R211-T214 PolarHBondContact O-N 2.91Å; T214-S216 PolarHBondContact O-N 2.94Å; T214-L217 PolarHBondContact O-N 3.31Å; T214-S218 WeakPolarHBondContact O-CB 3.25Å; T214-S218 PolarHBondContact O-N 3.42Å; T214-S218 PolarHBondContact O-OG 2.84Å; T214-S218 VanDerWaalsContact O-OG 3.1Å
215Q79.5Confident76.1Confident66 Ų6694.9 Ų94.931%0.30846%0.458SS..Hα-helixtrans-60.3-46.8176.4-73.9175.2-30.800112.2A197 R211 L213 L217 S218 S219A197-Q215 HydrophobicContact CB-CG 4.13Å; R211-Q215 WeakPolarHBondContact O-CG 3.42Å; R211-Q215 PolarHBondContact O-N 3.21Å; L213-Q215 VanDerWaalsContact C-N 3.31Å; L213-Q215 PolarHBondContact O-N 2.6Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-L217 PolarHBondContact O-N 3.09Å; Q215-S218 PolarHBondContact O-N 3.44Å; Q215-S219 PolarHBondContact O-N 3.28Å; Q215-S219 PolarHBondContact O-OG 2.71Å; Q215-S219 VanDerWaalsContact O-OG 3.13Å
216S84Confident75.9Confident80 Ų8087.2 Ų87.256%0.55943%0.433SS*.Hα-helixtrans-62.5-39.3177.3-63.40000112.9R212 L213 T214 L220R212-S216 PolarHBondContact O-N 3.21Å; R212-S216 PolarHBondContact O-OG 3.34Å; R212-S216 VanDerWaalsContact O-OG 3.06Å; L213-S216 PolarHBondContact O-N 2.8Å; T214-S216 PolarHBondContact O-N 2.94Å; S216-L220 WeakPolarHBondContact O-CB 3.48Å; S216-L220 PolarHBondContact O-N 3.12Å
217L81.2Confident76.1Confident46 Ų4682 Ų8224%0.24141%0.412CS..Hα-helixtrans-67.6-42.9176.1-70.1172.2000111.3M151 L155 L213 T214 Q215 L220 L221M151-L217 HydrophobicContact CE-CB 3.32Å; L155-L217 HydrophobicContact CD1-CD1 4.23Å; L155-L217 HydrophobicContact CD1-CD2 4.42Å; L155-L217 HydrophobicContact CD2-CD2 4.41Å; L213-L217 HydrophobicContact CD1-CD1 4.03Å; L213-L217 HydrophobicContact CD1-CG 4.04Å; L213-L217 HydrophobicContact CG-CD1 3.92Å; L213-L217 HydrophobicContact CG-CG 4.35Å; L213-L217 WeakPolarHBondContact O-CB 3.24Å; L213-L217 WeakPolarHBondContact O-CG 3.5Å; L213-L217 PolarHBondContact O-N 2.94Å; T214-L217 PolarHBondContact O-N 3.31Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-L217 PolarHBondContact O-N 3.09Å; L217-L220 WeakPolarHBondContact O-CB 3.02Å; L217-L220 PolarHBondContact O-N 3.27Å; L217-L220 VanDerWaalsContact O-N 3.15Å; L217-L221 WeakPolarHBondContact O-CG 3.19Å; L217-L221 PolarHBondContact O-N 2.98Å
218S76.8Confident76.7Confident20 Ų2088.2 Ų88.214%0.1444%0.435CS..Hα-helixtrans-61.3-46.7176.7-64.90000111.1M151 T214 Q215 L220 L221 E222M151-S218 VanDerWaalsContact CE-N 3.33Å; T214-S218 WeakPolarHBondContact O-CB 3.25Å; T214-S218 PolarHBondContact O-N 3.42Å; T214-S218 PolarHBondContact O-OG 2.84Å; T214-S218 VanDerWaalsContact O-OG 3.1Å; Q215-S218 PolarHBondContact O-N 3.44Å; S218-L220 PolarHBondContact O-N 3.35Å; S218-L221 PolarHBondContact O-N 2.82Å; S218-E222 WeakPolarHBondContact O-CB 3.45Å; S218-E222 PolarHBondContact O-N 2.99Å
219S78Confident77.3Confident50 Ų5083 Ų8335%0.3540%0.403SS..Hα-helixtrans-60.9-33.6174.4-60.90000112.5Q215 N223Q215-S219 PolarHBondContact O-N 3.28Å; Q215-S219 PolarHBondContact O-OG 2.71Å; Q215-S219 VanDerWaalsContact O-OG 3.13Å; S219-N223 WeakPolarHBondContact O-CB 3.22Å; S219-N223 PolarHBondContact O-N 3.11Å; S219-N223 PolarHBondContact O-ND2 2.86Å
220L79.2Confident77.7Confident74 Ų7476.7 Ų76.739%0.38738%0.377SS..Hα-helixtrans-69.2-43.5176.1-175148.3000111.6S216 L217 S218 E222 Y224 L226S216-L220 WeakPolarHBondContact O-CB 3.48Å; S216-L220 PolarHBondContact O-N 3.12Å; L217-L220 WeakPolarHBondContact O-CB 3.02Å; L217-L220 PolarHBondContact O-N 3.27Å; L217-L220 VanDerWaalsContact O-N 3.15Å; S218-L220 PolarHBondContact O-N 3.35Å; L220-E222 VanDerWaalsContact C-N 3.32Å; L220-E222 PolarHBondContact O-N 3.27Å; L220-Y224 HydrophobicContact CG-CD2 4.19Å; L220-Y224 HydrophobicContact CG-CE2 4.38Å; L220-Y224 WeakPolarHBondContact O-CD2 3.33Å; L220-Y224 PolarHBondContact O-N 3.19Å; L220-L226 HydrophobicContact CD2-CD1 3.6Å
221L75.5Confident78.1Confident16 Ų1675.8 Ų75.88%0.08438%0.381CS..Hα-helixtrans-62.1-41.8176.2-68-178.6000111.6M151 L158 L217 S218 S225 L226 V227M151-L221 HydrophobicContact CE-CD1 3.35Å; M151-L221 HydrophobicContact CE-CG 4.03Å; M151-L221 HydrophobicContact SD-CD1 3.58Å; M151-L221 VanDerWaalsContact SD-CD1 3.58Å; L158-L221 HydrophobicContact CD1-CD2 3.47Å; L158-L221 VanDerWaalsContact CD1-CD2 3.47Å; L217-L221 WeakPolarHBondContact O-CG 3.19Å; L217-L221 PolarHBondContact O-N 2.98Å; S218-L221 PolarHBondContact O-N 2.82Å; L221-S225 PolarHBondContact O-N 3.03Å; L221-L226 PolarHBondContact O-N 3.45Å; L221-V227 HydrophobicContact CD2-CG2 4.07Å
222E71.2Confident78.8Confident70 Ų7070.4 Ų70.433%0.32736%0.361SS..Hα-helixtrans-67.6-56.9178.9-174.3-173.5-179.700112A192 P194 S218 L220 Y224 S225A192-E222 HydrophobicContact CB-CB 4.24Å; A192-E222 HydrophobicContact CB-CG 4.33Å; P194-E222 WeakPolarHBondContact CG-OE2 3.42Å; S218-E222 WeakPolarHBondContact O-CB 3.45Å; S218-E222 PolarHBondContact O-N 2.99Å; L220-E222 VanDerWaalsContact C-N 3.32Å; L220-E222 PolarHBondContact O-N 3.27Å; E222-Y224 PolarHBondContact O-N 2.85Å; E222-Y224 VanDerWaalsContact O-N 3.08Å; E222-S225 PolarHBondContact O-N 3.22Å
223N67.6Low79.2Confident122 Ų12261.6 Ų61.665%0.65233%0.33SS*.Hα-helixtrans-59.4-30.2-171.1-77.1-33.3000113.6S219S219-N223 WeakPolarHBondContact O-CB 3.22Å; S219-N223 PolarHBondContact O-N 3.11Å; S219-N223 PolarHBondContact O-ND2 2.86Å
224Y65.7Low79.6Confident163 Ų16360.3 Ų60.364%0.63932%0.323SS*.THydrogen-bonded Turntrans-104.31.5-178.3-68.9-83.7000112.5L220 E222 L226L220-Y224 HydrophobicContact CG-CD2 4.19Å; L220-Y224 HydrophobicContact CG-CE2 4.38Å; L220-Y224 WeakPolarHBondContact O-CD2 3.33Å; L220-Y224 PolarHBondContact O-N 3.19Å; E222-Y224 PolarHBondContact O-N 2.85Å; E222-Y224 VanDerWaalsContact O-N 3.08Å; Y224-L226 HydrophobicContact CD2-CD1 4.36Å; Y224-L226 HydrophobicContact CG-CD1 4.18Å; Y224-L226 HydrophobicContact CG-CG 4.34Å; Y224-L226 PolarHBondContact O-N 3.36Å
225S68Low80.1Confident100 Ų10063 Ų6370%0.69934%0.343SS*.THydrogen-bonded Turntrans45.136.6-175.7-61.70000112.3L221 E222 V227L221-S225 PolarHBondContact O-N 3.03Å; E222-S225 PolarHBondContact O-N 3.22Å; S225-V227 PolarHBondContact O-N 2.98Å
226L65.8Low80.6Confident62 Ų6263.1 Ų63.133%0.32535%0.346SS..  trans-69.1-23.3-162.6-75.3165.9000112.9L158 L220 L221 Y224L158-L226 HydrophobicContact CD1-CB 4.08Å; L158-L226 HydrophobicContact CD1-CD1 4.25Å; L158-L226 HydrophobicContact CD2-CB 3.66Å; L158-L226 HydrophobicContact CD2-CD2 4.42Å; L158-L226 HydrophobicContact CD2-CG 4.38Å; L158-L226 HydrophobicContact CG-CB 4.43Å; L220-L226 HydrophobicContact CD2-CD1 3.6Å; L221-L226 PolarHBondContact O-N 3.45Å; Y224-L226 HydrophobicContact CD2-CD1 4.36Å; Y224-L226 HydrophobicContact CG-CD1 4.18Å; Y224-L226 HydrophobicContact CG-CG 4.34Å; Y224-L226 PolarHBondContact O-N 3.36Å
227V73.1Confident81Confident20 Ų2065.7 Ų65.712%0.12135%0.349CS..  trans-138.990.4-173.5-169.20000107.9L158 N170 L221 S225 Y229L158-V227 HydrophobicContact CD1-CG2 3.69Å; L158-V227 HydrophobicContact CD2-CG2 3.79Å; L158-V227 HydrophobicContact CG-CG2 3.46Å; L158-V227 VanDerWaalsContact CG-CG2 3.46Å; N170-V227 HydrophobicContact CB-CG1 4.35Å; N170-V227 WeakPolarHBondContact ND2-CG1 3.37Å; L221-V227 HydrophobicContact CD2-CG2 4.07Å; S225-V227 PolarHBondContact O-N 2.98Å; V227-Y229 HydrophobicContact CB-CE2 4.4Å; V227-Y229 HydrophobicContact CG1-CD2 4.01Å; V227-Y229 HydrophobicContact CG1-CE1 4.21Å; V227-Y229 HydrophobicContact CG1-CE2 3.38Å; V227-Y229 VanDerWaalsContact CG1-CZ 3.49Å
228K81.3Confident81.5Confident161 Ų16169.4 Ų69.470%0.737%0.369SS*.  trans-85.5135.9162.9-171.1176.3179.3-175.60108.5N170N170-K228 WeakPolarHBondContact CB-O 3.47Å; N170-K228 PolarHBondContact ND2-O 3.22Å
229Y87Confident82.2Confident4 Ų469.8 Ų69.82%0.01637%0.371CS..EExtended strand (participates in β ladder)trans-105.5140.6174.5-76.1-75.8000110.8L139 F150 S154 N170 L172 V227L139-Y229 HydrophobicContact CD1-CE1 3.7Å; L139-Y229 WeakPolarHBondContact CD1-OH 3.39Å; F150-Y229 AromaticContact CE2-CD2 3.93Å; F150-Y229 HydrophobicContact CE2-CD2 3.93Å; F150-Y229 AromaticContact CE2-CE2 3.55Å; F150-Y229 HydrophobicContact CE2-CE2 3.55Å; F150-Y229 HydrophobicContact CZ-CD2 4.21Å; F150-Y229 AromaticContact CZ-CE2 3.84Å; F150-Y229 HydrophobicContact CZ-CE2 3.84Å; S154-Y229 WeakPolarHBondContact CA-OH 3.46Å; S154-Y229 PolarHBondContact OG-OH 2.76Å; N170-Y229 HydrophobicContact CB-CD1 3.39Å; N170-Y229 HydrophobicContact CB-CE1 3.48Å; N170-Y229 VanDerWaalsContact CB-CE1 3.48Å; N170-Y229 HydrophobicContact CB-CG 4.18Å; N170-Y229 CarbonylContact O-C 3.59Å; N170-Y229 WeakPolarHBondContact O-CA 3.34Å; L172-Y229 VanDerWaalsContact CD1-CB 3.48Å; L172-Y229 HydrophobicContact CD1-CD1 4.18Å; L172-Y229 HydrophobicContact CD1-CG 3.88Å; L172-Y229 HydrophobicContact CD2-CD1 3.56Å; L172-Y229 HydrophobicContact CD2-CE1 3.96Å; L172-Y229 HydrophobicContact CD2-CG 4.02Å; L172-Y229 HydrophobicContact CG-CD1 3.6Å; L172-Y229 HydrophobicContact CG-CE1 4.48Å; L172-Y229 HydrophobicContact CG-CG 3.84Å; V227-Y229 HydrophobicContact CB-CE2 4.4Å; V227-Y229 HydrophobicContact CG1-CD2 4.01Å; V227-Y229 HydrophobicContact CG1-CE1 4.21Å; V227-Y229 HydrophobicContact CG1-CE2 3.38Å; V227-Y229 VanDerWaalsContact CG1-CZ 3.49Å
230V89.8Confident83Confident18 Ų1867.8 Ų67.811%0.10936%0.356CS..EExtended strand (participates in β ladder)trans-107118.7171.4-175.20000107.9V169 N170 V171 L172 L243 I246V169-V230 HydrophobicContact CG1-CG2 4.22Å; N170-V230 PolarHBondContact O-N 2.95Å; V171-V230 WeakPolarHBondContact CA-O 3.39Å; L172-V230 PolarHBondContact N-O 3.37Å; V230-L243 HydrophobicContact CB-CD1 4.05Å; V230-L243 HydrophobicContact CG1-CB 4.3Å; V230-L243 HydrophobicContact CG1-CD1 3.88Å; V230-L243 HydrophobicContact CG2-CD1 4.4Å; V230-I246 HydrophobicContact CG1-CD1 4.13Å; V230-I246 HydrophobicContact CG2-CD1 3.75Å
231P90.8Very high83.6Confident59 Ų5965.1 Ų65.138%0.38335%0.346SS..EExtended strand (participates in β ladder)trans-69.5134.1174.729.5-32.7000110.4M175M175-P231 HydrophobicContact CE-CB 3.92Å; M175-P231 HydrophobicContact CG-CB 3.94Å; M175-P231 HydrophobicContact SD-CB 4.09Å
232L92.8Very high84.4Confident4 Ų469.3 Ų69.32%0.02137%0.369CS..  trans-120.8117.2175.5178.166.4000110.1F18 V171 L172 T173 M175 I234 I240 L243F18-L232 HydrophobicContact CD2-CD2 3.57Å; F18-L232 HydrophobicContact CE2-CD2 4.06Å; V171-L232 HydrophobicContact CG1-CB 3.57Å; V171-L232 HydrophobicContact CG1-CD2 3.92Å; V171-L232 HydrophobicContact CG1-CG 4.39Å; L172-L232 PolarHBondContact O-N 3.32Å; T173-L232 HydrophobicContact CG2-CD2 4.45Å; M175-L232 WeakPolarHBondContact CB-O 3.41Å; M175-L232 WeakPolarHBondContact CG-O 3.16Å; M175-L232 PolarHBondContact N-O 2.85Å; L232-I234 HydrophobicContact CD2-CG2 4.46Å; L232-I234 HydrophobicContact CG-CG2 4.46Å; L232-I240 HydrophobicContact CD1-CG1 3.87Å; L232-L243 HydrophobicContact CB-CD2 4.35Å; L232-L243 HydrophobicContact CD1-CD2 3.92Å; L232-L243 HydrophobicContact CD2-CD2 4.1Å; L232-L243 HydrophobicContact CG-CD2 4.35Å
233D92.5Very high85.5Confident28 Ų2866.1 Ų66.115%0.1535%0.354CS..  trans-107.2109.8167.9-170-34.9000107.9M175 D176 S235 D236 T239M175-D233 HydrophobicContact CB-CB 4.05Å; D176-D233 WeakPolarHBondContact CB-OD1 3.39Å; D233-S235 PolarHBondContact O-N 3.45Å; D233-S235 VanDerWaalsContact O-N 3.08Å; D233-S235 WeakPolarHBondContact OD1-CA 3.48Å; D233-S235 WeakPolarHBondContact OD1-CB 2.97Å; D233-S235 PolarHBondContact OD1-N 3.38Å; D233-S235 PolarHBondContact OD1-OG 2.87Å; D233-D236 HydrophobicContact CB-CB 4.06Å; D233-D236 PolarHBondContact O-N 3.4Å; D233-T239 HydrophobicContact CB-CG2 4.39Å; D233-T239 PolarHBondContact N-OG1 3.25Å; D233-T239 PolarHBondContact O-OG1 3.01Å
234I91.3Very high86.7Confident70 Ų7060.7 Ų60.736%0.35933%0.325SS..THydrogen-bonded Turntrans-65-14.1-177.559.7171.5000113.1T17 L232T17-I234 HydrophobicContact CG2-CD1 4.4Å; L232-I234 HydrophobicContact CD2-CG2 4.46Å; L232-I234 HydrophobicContact CG-CG2 4.46Å
235S90.2Very high88Confident91 Ų9157.7 Ų57.764%0.63632%0.319SS*.THydrogen-bonded Turntrans-85.8-14.4177.3-21.30000112.3D176 D233D176-S235 WeakPolarHBondContact CB-OG 3.45Å; D233-S235 PolarHBondContact O-N 3.45Å; D233-S235 VanDerWaalsContact O-N 3.08Å; D233-S235 WeakPolarHBondContact OD1-CA 3.48Å; D233-S235 WeakPolarHBondContact OD1-CB 2.97Å; D233-S235 PolarHBondContact OD1-N 3.38Å; D233-S235 PolarHBondContact OD1-OG 2.87Å
236D91.7Very high89.2Confident67 Ų6756.2 Ų56.236%0.35830%0.303SS..  trans-114.2105.7-174.8-170.8-8000110.7D233 D238 T239 I240D233-D236 HydrophobicContact CB-CB 4.06Å; D233-D236 PolarHBondContact O-N 3.4Å; D236-D238 PolarHBondContact O-N 2.92Å; D236-D238 WeakPolarHBondContact OD1-CB 3.49Å; D236-D238 PolarHBondContact OD1-N 3.25Å; D236-D238 VanDerWaalsContact OD1-N 3.11Å; D236-T239 HydrophobicContact CB-CG2 3.95Å; D236-T239 PolarHBondContact O-N 3.18Å; D236-T239 PolarHBondContact O-OG1 3.08Å; D236-I240 PolarHBondContact O-N 2.83Å
237E91Very high90.5Very high135 Ų13553.2 Ų53.263%0.63129%0.287SS*.Hα-helixtrans-59.2-29.2180-72.5-173.9179.600113.2Y25 I240 G241Y25-E237 HydrophobicContact CE2-CB 4.15Å; Y25-E237 WeakPolarHBondContact CE2-O 3.35Å; E237-I240 PolarHBondContact O-N 2.84Å; E237-G241 PolarHBondContact O-N 3.11Å
238D92.1Very high91.4Very high123 Ų12353.4 Ų53.466%0.65829%0.287SS*.Hα-helixtrans-67.5-40.3179.3-70.7-25.9000110.4D236 I240 G241 D242D236-D238 PolarHBondContact O-N 2.92Å; D236-D238 WeakPolarHBondContact OD1-CB 3.49Å; D236-D238 PolarHBondContact OD1-N 3.25Å; D236-D238 VanDerWaalsContact OD1-N 3.11Å; D238-I240 VanDerWaalsContact C-N 3.31Å; D238-I240 PolarHBondContact O-N 2.64Å; D238-G241 PolarHBondContact O-N 3Å; D238-D242 PolarHBondContact O-N 3.12Å
239T92.6Very high91.9Very high29 Ų2951 Ų5118%0.17828%0.282CS..Hα-helixtrans-66.4-34.1178.172.10000112.5D233 D236 L243D233-T239 HydrophobicContact CB-CG2 4.39Å; D233-T239 PolarHBondContact N-OG1 3.25Å; D233-T239 PolarHBondContact O-OG1 3.01Å; D236-T239 HydrophobicContact CB-CG2 3.95Å; D236-T239 PolarHBondContact O-N 3.18Å; D236-T239 PolarHBondContact O-OG1 3.08Å; T239-L243 VanDerWaalsContact O-CB 3.27Å; T239-L243 WeakPolarHBondContact O-CB 3.44Å; T239-L243 PolarHBondContact O-N 3.48Å
240I93.3Very high92Very high8 Ų852.3 Ų52.34%0.04129%0.294CS..Hα-helixtrans-67.6-44.4175.1-61.1162.5000109.7T21 Y25 L232 D236 E237 D238 L243 L244T21-I240 HydrophobicContact CG2-CD1 3.35Å; T21-I240 HydrophobicContact CG2-CG1 4.05Å; Y25-I240 HydrophobicContact CD1-CG2 3.94Å; Y25-I240 HydrophobicContact CD2-CB 4.16Å; Y25-I240 HydrophobicContact CD2-CG2 3.79Å; Y25-I240 HydrophobicContact CE1-CG2 4.45Å; Y25-I240 HydrophobicContact CE2-CB 4.36Å; Y25-I240 HydrophobicContact CE2-CG2 4.31Å; Y25-I240 HydrophobicContact CG-CB 4.44Å; Y25-I240 HydrophobicContact CG-CG2 3.58Å; L232-I240 HydrophobicContact CD1-CG1 3.87Å; D236-I240 PolarHBondContact O-N 2.83Å; E237-I240 PolarHBondContact O-N 2.84Å; D238-I240 VanDerWaalsContact C-N 3.31Å; D238-I240 PolarHBondContact O-N 2.64Å; I240-L243 PolarHBondContact O-N 3.38Å; I240-L244 HydrophobicContact CG2-CD1 4.27Å; I240-L244 WeakPolarHBondContact O-CB 3.49Å; I240-L244 PolarHBondContact O-N 3.2Å
241G92.4Very high92Very high18 Ų1851.5 Ų51.519%0.18629%0.289CS..Hα-helixtrans-61.5-47.3176.900000113Y25 E237 D238 L243 L244 L245Y25-G241 WeakPolarHBondContact OH-CA 3.36Å; E237-G241 PolarHBondContact O-N 3.11Å; D238-G241 PolarHBondContact O-N 3Å; G241-L243 PolarHBondContact O-N 3.1Å; G241-L244 PolarHBondContact O-N 3.12Å; G241-L245 WeakPolarHBondContact O-CB 3.23Å; G241-L245 PolarHBondContact O-N 2.77Å
242D92.9Very high91.8Very high104 Ų10454.4 Ų54.456%0.55630%0.297SS*.Hα-helixtrans-61.8-43.1176.9-80.2-15.5000111.8D238 L245 I246D238-D242 PolarHBondContact O-N 3.12Å; D242-L245 PolarHBondContact O-N 3.34Å; D242-I246 WeakPolarHBondContact O-CG1 3.44Å; D242-I246 PolarHBondContact O-N 3.35Å
243L93.8Very high91.2Very high2 Ų256.8 Ų56.81%0.0131%0.306CS..Hα-helixtrans-64.1-44.6176.8176.658.1000111.6F18 V169 V171 V230 L232 T239 I240 G241 L245 I246 I247F18-L243 HydrophobicContact CE2-CD2 3.61Å; F18-L243 HydrophobicContact CZ-CD2 4.38Å; V169-L243 HydrophobicContact CG1-CD1 3.8Å; V171-L243 HydrophobicContact CG1-CD2 3.84Å; V171-L243 HydrophobicContact CG2-CD1 3.66Å; V171-L243 HydrophobicContact CG2-CD2 3.92Å; V171-L243 HydrophobicContact CG2-CG 4.45Å; V230-L243 HydrophobicContact CB-CD1 4.05Å; V230-L243 HydrophobicContact CG1-CB 4.3Å; V230-L243 HydrophobicContact CG1-CD1 3.88Å; V230-L243 HydrophobicContact CG2-CD1 4.4Å; L232-L243 HydrophobicContact CB-CD2 4.35Å; L232-L243 HydrophobicContact CD1-CD2 3.92Å; L232-L243 HydrophobicContact CD2-CD2 4.1Å; L232-L243 HydrophobicContact CG-CD2 4.35Å; T239-L243 VanDerWaalsContact O-CB 3.27Å; T239-L243 WeakPolarHBondContact O-CB 3.44Å; T239-L243 PolarHBondContact O-N 3.48Å; I240-L243 PolarHBondContact O-N 3.38Å; G241-L243 PolarHBondContact O-N 3.1Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 2.7Å; L243-I246 PolarHBondContact O-N 3.35Å; L243-I247 HydrophobicContact CD1-CD1 3.85Å; L243-I247 HydrophobicContact CD1-CG1 4.18Å; L243-I247 HydrophobicContact CG-CD1 3.84Å; L243-I247 VanDerWaalsContact O-CG1 3.32Å; L243-I247 WeakPolarHBondContact O-CG1 3.02Å; L243-I247 PolarHBondContact O-N 3.02Å
244L92.8Very high90.1Very high9 Ų957.1 Ų57.15%0.04732%0.317CS..Hα-helixtrans-61-40.3175.5-85.7176.5000111.9V22 Y25 I240 G241 I246 I247 D248V22-L244 HydrophobicContact CG1-CD1 4.34Å; V22-L244 HydrophobicContact CG1-CD2 3.73Å; V22-L244 HydrophobicContact CG1-CG 4.37Å; Y25-L244 HydrophobicContact CD1-CD1 3.38Å; Y25-L244 HydrophobicContact CE1-CD1 3.71Å; Y25-L244 HydrophobicContact CG-CD1 4.4Å; I240-L244 HydrophobicContact CG2-CD1 4.27Å; I240-L244 WeakPolarHBondContact O-CB 3.49Å; I240-L244 PolarHBondContact O-N 3.2Å; G241-L244 PolarHBondContact O-N 3.12Å; L244-I246 VanDerWaalsContact C-N 3.34Å; L244-I246 PolarHBondContact O-N 3.04Å; L244-I247 PolarHBondContact O-N 2.84Å; L244-D248 VanDerWaalsContact O-CB 3.25Å; L244-D248 WeakPolarHBondContact O-CB 3.16Å; L244-D248 PolarHBondContact O-N 2.95Å
245L92.1Very high88.8Confident99 Ų9959.8 Ų59.852%0.51833%0.332SS..Hα-helixtrans-61.6-42.4175.2-17964.4000111.7G241 D242 L243 D248 N249G241-L245 WeakPolarHBondContact O-CB 3.23Å; G241-L245 PolarHBondContact O-N 2.77Å; D242-L245 PolarHBondContact O-N 3.34Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 2.7Å; L245-D248 PolarHBondContact O-N 3.47Å; L245-N249 PolarHBondContact O-N 3.13Å; L245-N249 PolarHBondContact O-ND2 2.95Å
246I93Very high87.4Confident69 Ų6960.5 Ų60.535%0.35433%0.329SS..Hα-helixtrans-63.1-44.9176.7-68.3166.7000110.6V169 V230 D242 L243 L244 N249 A250V169-I246 HydrophobicContact CG1-CG2 4.3Å; V169-I246 HydrophobicContact CG2-CG2 4.09Å; V230-I246 HydrophobicContact CG1-CD1 4.13Å; V230-I246 HydrophobicContact CG2-CD1 3.75Å; D242-I246 WeakPolarHBondContact O-CG1 3.44Å; D242-I246 PolarHBondContact O-N 3.35Å; L243-I246 PolarHBondContact O-N 3.35Å; L244-I246 VanDerWaalsContact C-N 3.34Å; L244-I246 PolarHBondContact O-N 3.04Å; I246-N249 PolarHBondContact O-N 3.28Å; I246-A250 PolarHBondContact O-N 3.48Å
247I93.3Very high85.9Confident0 Ų060.1 Ų60.10%033%0.326CS..Hα-helixtrans-66.6-43.8179-65.1165.1000110.4Q5 F18 C134 V136 V169 L243 L244 N249 A250 V251Q5-I247 HydrophobicContact CG-CG2 3.75Å; F18-I247 HydrophobicContact CZ-CD1 4.23Å; C134-I247 HydrophobicContact CB-CG2 4.36Å; V136-I247 HydrophobicContact CG2-CD1 3.75Å; V136-I247 HydrophobicContact CG2-CG1 4.21Å; V169-I247 HydrophobicContact CB-CG1 4.31Å; V169-I247 HydrophobicContact CG1-CG1 4.25Å; V169-I247 HydrophobicContact CG2-CG1 4.11Å; L243-I247 HydrophobicContact CD1-CD1 3.85Å; L243-I247 HydrophobicContact CD1-CG1 4.18Å; L243-I247 HydrophobicContact CG-CD1 3.84Å; L243-I247 VanDerWaalsContact O-CG1 3.32Å; L243-I247 WeakPolarHBondContact O-CG1 3.02Å; L243-I247 PolarHBondContact O-N 3.02Å; L244-I247 PolarHBondContact O-N 2.84Å; I247-N249 VanDerWaalsContact C-N 3.3Å; I247-N249 PolarHBondContact O-N 3.2Å; I247-A250 CarbonylContact O-C 3.5Å; I247-A250 WeakPolarHBondContact O-CA 3.46Å; I247-A250 WeakPolarHBondContact O-CB 3.36Å; I247-A250 PolarHBondContact O-N 3.19Å; I247-V251 HydrophobicContact CG2-CG2 3.98Å; I247-V251 VanDerWaalsContact O-CG2 3.28Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 3.28Å
248D92.2Very high84.2Confident23 Ų2361.4 Ų61.412%0.12333%0.332CS..Hα-helixtrans-59.7-41.6178.1-75.8-17.2000111.4R31 Y101 L244 L245 A250 V251 Q252 Y253R31-D248 IonicContact CZ-OD1 3.71Å; R31-D248 IonicContact CZ-OD2 2.66Å; R31-D248 VanDerWaalsContact NH1-CG 3.3Å; R31-D248 IonicContact NH1-OD1 3.67Å; R31-D248 PolarHBondContact NH1-OD1 3.18Å; R31-D248 VanDerWaalsContact NH1-OD1 3.09Å; R31-D248 IonicContact NH1-OD2 3.51Å; R31-D248 PolarHBondContact NH1-OD2 3.12Å; R31-D248 IonicContact NH2-OD1 2.86Å; R31-D248 PolarHBondContact NH2-OD1 3.13Å; R31-D248 IonicContact NH2-OD2 2.73Å; Y101-D248 PolarHBondContact OH-OD1 3.07Å; L244-D248 VanDerWaalsContact O-CB 3.25Å; L244-D248 WeakPolarHBondContact O-CB 3.16Å; L244-D248 PolarHBondContact O-N 2.95Å; L245-D248 PolarHBondContact O-N 3.47Å; D248-A250 VanDerWaalsContact C-N 3.33Å; D248-A250 PolarHBondContact O-N 3.33Å; D248-V251 CarbonylContact O-C 3Å; D248-V251 PolarHBondContact O-N 3.11Å; D248-Q252 CarbonylContact O-C 3.38Å; D248-Q252 WeakPolarHBondContact O-CA 3.43Å; D248-Q252 PolarHBondContact O-N 3.21Å; D248-Y253 HydrophobicContact CB-CD1 4.35Å; D248-Y253 PolarHBondContact O-N 3.31Å
249N91.4Very high82.5Confident111 Ų11161.6 Ų61.659%0.59434%0.337SS*.Hα-helixtrans-62.7-38.6171.6-75.2-58.4000112.5L245 I246 I247 Q252L245-N249 PolarHBondContact O-N 3.13Å; L245-N249 PolarHBondContact O-ND2 2.95Å; I246-N249 PolarHBondContact O-N 3.28Å; I247-N249 VanDerWaalsContact C-N 3.3Å; I247-N249 PolarHBondContact O-N 3.2Å; N249-Q252 PolarHBondContact O-N 3.04Å
250A89.8Confident80.7Confident32 Ų3270.1 Ų70.126%0.26437%0.366SS..Hα-helixtrans-69.4-34.217900000112.9C134 P167 V169 I246 I247 D248 Q252C134-A250 HydrophobicContact CB-CB 4.36Å; P167-A250 HydrophobicContact CB-CB 4.18Å; V169-A250 HydrophobicContact CG2-CB 4.43Å; I246-A250 PolarHBondContact O-N 3.48Å; I247-A250 CarbonylContact O-C 3.5Å; I247-A250 WeakPolarHBondContact O-CA 3.46Å; I247-A250 WeakPolarHBondContact O-CB 3.36Å; I247-A250 PolarHBondContact O-N 3.19Å; D248-A250 VanDerWaalsContact C-N 3.33Å; D248-A250 PolarHBondContact O-N 3.33Å; A250-Q252 VanDerWaalsContact C-N 3.34Å
251V90.5Very high78.3Confident0 Ų076 Ų760%040%0.398CS..Hα-helixtrans-87.7-7.8176-1650000111.1Y3 S132 C134 I247 D248 Y253Y3-V251 HydrophobicContact CD1-CG1 3.76Å; Y3-V251 HydrophobicContact CG-CG1 4.41Å; S132-V251 WeakPolarHBondContact CB-O 3.49Å; S132-V251 WeakPolarHBondContact O-CG1 3.47Å; S132-V251 WeakPolarHBondContact OG-CG1 3.46Å; S132-V251 PolarHBondContact OG-O 3.36Å; C134-V251 HydrophobicContact CB-CG2 3.28Å; I247-V251 HydrophobicContact CG2-CG2 3.98Å; I247-V251 VanDerWaalsContact O-CG2 3.28Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 3.28Å; D248-V251 CarbonylContact O-C 3Å; D248-V251 PolarHBondContact O-N 3.11Å; V251-Y253 PolarHBondContact O-N 3.31Å
252Q86.5Confident76Confident120 Ų12086.2 Ų86.256%0.56143%0.431SS*.THydrogen-bonded Turntrans58.434.7-172.5-51.1-176-75.400113D248 N249 A250 G254D248-Q252 CarbonylContact O-C 3.38Å; D248-Q252 WeakPolarHBondContact O-CA 3.43Å; D248-Q252 PolarHBondContact O-N 3.21Å; N249-Q252 PolarHBondContact O-N 3.04Å; A250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-G254 PolarHBondContact O-N 2.93Å
253Y79.5Confident73.7Confident54 Ų5487.9 Ų87.921%0.21244%0.439CS..THydrogen-bonded Turntrans-68.7124.1175.9-178.3-97.7000110.4Y3 R31 Y101 D248 V251 L257Y3-Y253 AromaticContact CD1-CD2 3.81Å; Y3-Y253 HydrophobicContact CD1-CD2 3.81Å; Y3-Y253 HydrophobicContact CD1-CG 4.47Å; Y3-Y253 AromaticContact CD2-CD2 3.54Å; Y3-Y253 HydrophobicContact CD2-CD2 3.54Å; Y3-Y253 AromaticContact CD2-CE2 3.85Å; Y3-Y253 HydrophobicContact CD2-CE2 3.85Å; Y3-Y253 HydrophobicContact CE1-CD2 4.02Å; Y3-Y253 AromaticContact CE2-CD2 3.75Å; Y3-Y253 HydrophobicContact CE2-CD2 3.75Å; Y3-Y253 HydrophobicContact CE2-CE2 4.05Å; Y3-Y253 AromaticContact CG-CD2 3.57Å; Y3-Y253 HydrophobicContact CG-CD2 3.57Å; Y3-Y253 HydrophobicContact CG-CE2 4.28Å; Y3-Y253 AromaticContact CZ-CD2 3.98Å; R31-Y253 VanDerWaalsContact CZ-CE1 3.46Å; R31-Y253 VanDerWaalsContact NH2-CE1 3.25Å; R31-Y253 VanDerWaalsContact NH2-CG 3.32Å; Y101-Y253 AromaticContact CD2-CD2 3.75Å; Y101-Y253 HydrophobicContact CD2-CD2 3.75Å; Y101-Y253 AromaticContact CD2-CE2 3.85Å; Y101-Y253 HydrophobicContact CD2-CE2 3.85Å; Y101-Y253 HydrophobicContact CD2-CG 4.39Å; Y101-Y253 HydrophobicContact CE2-CD2 4.03Å; Y101-Y253 HydrophobicContact CE2-CG 4.28Å; D248-Y253 HydrophobicContact CB-CD1 4.35Å; D248-Y253 PolarHBondContact O-N 3.31Å; V251-Y253 PolarHBondContact O-N 3.31Å; Y253-L257 HydrophobicContact CE1-CD1 3.93Å; Y253-L257 HydrophobicContact CE2-CD1 4.43Å; Y253-L257 HydrophobicContact CE2-CD2 4.24Å
254G69.4Low71.3Confident36 Ų3692.9 Ų92.937%0.37147%0.471SS..THydrogen-bonded Turntrans110.9-2217900000114.9Q252 D256Q252-G254 PolarHBondContact O-N 2.93Å; G254-D256 VanDerWaalsContact C-N 3.31Å; G254-D256 PolarHBondContact O-N 3.48Å
255D64.7Low69.1Low126 Ų126101.5 Ų101.567%0.67451%0.512SS*.SBendtrans-67.7-34.7179.5-74.4-15.2000111.7
256D60Low66.7Low106 Ų106105.3 Ų105.357%0.56753%0.529SS*.SBendtrans-107.53.9-178.5-67.5-34.5000113.8G254 E258G254-D256 VanDerWaalsContact C-N 3.31Å; G254-D256 PolarHBondContact O-N 3.48Å; D256-E258 PolarHBondContact O-N 2.9Å
257L61.5Low64Low59 Ų59108.8 Ų108.831%0.30955%0.553SS.*  trans-64.5122.1-179.4-75.5178.2000109.8D99 Y253 V259D99-L257 HydrophobicContact CB-CD2 3.93Å; Y253-L257 HydrophobicContact CE1-CD1 3.93Å; Y253-L257 HydrophobicContact CE2-CD1 4.43Å; Y253-L257 HydrophobicContact CE2-CD2 4.24Å; L257-V259 PolarHBondContact O-N 2.73Å
258E54.5Low61.4Low162 Ų162121.8 Ų121.876%0.75761%0.61SS**  trans-56.5133.4169.1-70.6-167.4163.300109.2D256 R260D256-E258 PolarHBondContact O-N 2.9Å; E258-R260 PolarHBondContact O-N 3.42Å
259V55.5Low59.8Low126 Ų126126.7 Ų126.776%0.76463%0.634SS**  trans-60.5103.3174.2179.30000107.3L257 D261L257-V259 PolarHBondContact O-N 2.73Å; V259-D261 VanDerWaalsContact C-N 3.26Å; V259-D261 PolarHBondContact O-N 2.69Å
260R56Low58.2Low208 Ų208127.5 Ų127.579%0.78564%0.636SS**  trans-67.992170-68.9-173.5179179.41.6107.5E258 R262E258-R260 PolarHBondContact O-N 3.42Å; R260-R262 PolarHBondContact O-N 3.27Å
261D43.2Very low56.4Low132 Ų132132.8 Ų132.871%0.70666%0.657SS**  trans-55.8104.4168-86.7-24.6000107.5V259 L263V259-D261 VanDerWaalsContact C-N 3.26Å; V259-D261 PolarHBondContact O-N 2.69Å; D261-L263 HydrophobicContact CB-CG 4.4Å; D261-L263 PolarHBondContact O-N 3.34Å
262R44.6Very low54.4Low233 Ų233140.6 Ų140.688%0.87970%0.695SS**  trans-70.669.7164.3-67.3-174.5-177.1-175.20.8107.6R260 P264R260-R262 PolarHBondContact O-N 3.27Å; R262-P264 WeakPolarHBondContact O-CD 3.48Å
263L42.7Very low52.4Low139 Ų139141.9 Ų141.973%0.72870%0.704SS**  trans-63.2122.3162.2-80.3160.8000106.1D261 E265D261-L263 HydrophobicContact CB-CG 4.4Å; D261-L263 PolarHBondContact O-N 3.34Å; L263-E265 PolarHBondContact O-N 3.04Å
264P43.4Very low50.6Low106 Ų106147.8 Ų147.869%0.68874%0.736SS**  trans-56.1129.7170.5-12.124.1000106.6R262 M266R262-P264 WeakPolarHBondContact O-CD 3.48Å; P264-M266 PolarHBondContact O-N 2.87Å
265E46.3Very low49.2Very low191 Ų191155.8 Ų155.889%0.89376%0.762SS**  trans-50.7107.2169.6-72.6-172.8160.300107.6L263 V267L263-E265 PolarHBondContact O-N 3.04Å; E265-V267 VanDerWaalsContact C-N 3.34Å; E265-V267 PolarHBondContact O-N 3.48Å
266M41.9Very low48.1Very low178 Ų178158.1 Ų158.188%0.87777%0.769SS**  trans-65.7103.7171.9-77.1-174.166.300106.3P264 K268P264-M266 PolarHBondContact O-N 2.87Å; M266-K268 PolarHBondContact O-N 3.11Å; M266-K268 VanDerWaalsContact O-N 3.09Å
267V37.7Very low47.1Very low143 Ų143162.4 Ų162.487%0.86779%0.786SS**  trans-37114.1162.5179.70000109.1E265E265-V267 VanDerWaalsContact C-N 3.34Å; E265-V267 PolarHBondContact O-N 3.48Å
268K37.4Very low45.8Very low272 Ų272171.8 Ų171.8100%1.18383%0.83SS**  trans-120.30157.1-89.6-169.7177.8177.80108.6M266M266-K268 PolarHBondContact O-N 3.11Å; M266-K268 VanDerWaalsContact O-N 3.09Å

Retrieved 268 of 268 residues in 240.4 ms (Link to these results)

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