A0A2K6RHJ6_RHIRO Loading...

Trafficking protein particle complex subunit

Core component of the TRAPP complexes which has a function of guanine nucleotide exchange factor activity for Rab1 GTPase. Plays a role in vesicular transport from endoplasmic reticulum to Golgi and autophagy. May play a role in dendrite postsynaptic membrane trafficking.

AlphaFold DB , UniProt , Accession A0A2K6RHJ6, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene TRAPPC4, Length 219 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
1M67Low91.3Very high116 Ų11635.1 Ų35.157%0.57117%0.167SC*.  01360-65.617784.100108.1E210M1-E210 WeakPolarHBondContact CA-OE1 3.31Å; M1-E210 VanDerWaalsContact CB-OE1 3.27Å; M1-E210 WeakPolarHBondContact CB-OE1 3.48Å
2A85.1Confident91.3Very high16 Ų1638.5 Ų38.513%0.13221%0.205CC..  trans-85.3-30.5178.800000111.4A159 D160 Q163 E210A2-A159 CarbonylContact O-C 3.58Å; A2-A159 WeakPolarHBondContact O-CA 3.44Å; A2-A159 WeakPolarHBondContact O-CB 3.02Å; A2-D160 HydrophobicContact CB-CB 4.3Å; A2-D160 PolarHBondContact O-N 3.25Å; A2-Q163 HydrophobicContact CB-CB 4.32Å; A2-Q163 HydrophobicContact CB-CG 4.34Å; A2-E210 PolarHBondContact N-OE1 3.48Å
3I91.9Very high91.3Very high0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-84126.8167.7-57.9163.3000108.7S21 V157 A159 Q163 I166 L169 L206 A209 E210I3-S21 WeakPolarHBondContact O-CB 3.48Å; I3-V157 HydrophobicContact CG2-CG1 3.93Å; I3-A159 HydrophobicContact CG1-CB 4.41Å; I3-Q163 HydrophobicContact CG1-CG 4.42Å; I3-I166 HydrophobicContact CG1-CD1 4.35Å; I3-L169 HydrophobicContact CD1-CD2 3.75Å; I3-L206 HydrophobicContact CB-CD2 4.49Å; I3-L206 HydrophobicContact CD1-CD2 3.87Å; I3-L206 HydrophobicContact CG2-CD2 3.82Å; I3-A209 HydrophobicContact CD1-CB 3.63Å; I3-E210 PolarHBondContact N-OE2 3.02Å
4F92.5Very high91.5Very high64 Ų6434.9 Ų34.928%0.28120%0.195SC..EExtended strand (participates in β ladder)trans-93.8-42.3-175.9-57.5-36.7000112.5S21 T141 F142 L158 A159 D160F4-S21 PolarHBondContact O-N 3.47Å; F4-T141 WeakPolarHBondContact CE2-O 3.34Å; F4-F142 HydrophobicContact CD2-CB 3.8Å; F4-F142 HydrophobicContact CE2-CB 3.58Å; F4-L158 HydrophobicContact CB-CB 4.19Å; F4-L158 PolarHBondContact N-O 2.6Å; F4-A159 WeakPolarHBondContact CE2-O 3.26Å; F4-D160 HydrophobicContact CZ-CB 4.05Å
5S94.8Very high91.7Very high7 Ų734.5 Ų34.55%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-169.7157.7-177.851.90000112.7Y7 L19 L158S5-Y7 WeakPolarHBondContact OG-CE2 3.34Å; S5-L19 CarbonylContact C-O 3.56Å; S5-L19 WeakPolarHBondContact CA-O 3.32Å; S5-L19 VanDerWaalsContact CB-O 3.3Å; S5-L19 WeakPolarHBondContact CB-O 3.31Å; S5-L158 PolarHBondContact N-O 3.21Å; S5-L158 PolarHBondContact O-N 3.44Å; S5-L158 WeakPolarHBondContact OG-CD1 3.4Å
6V96.5Very high91.9Very high0 Ų032.6 Ų32.60%018%0.182CC..EExtended strand (participates in β ladder)trans-121.6136175.1-177.60000109.5Q18 L19 V156 V157 I173 L202 L206V6-Q18 CarbonylContact O-C 3.48Å; V6-Q18 VanDerWaalsContact O-CA 3.3Å; V6-Q18 WeakPolarHBondContact O-CA 3.25Å; V6-L19 PolarHBondContact N-O 2.9Å; V6-L19 PolarHBondContact O-N 2.88Å; V6-V156 CarbonylContact C-O 3.55Å; V6-V156 WeakPolarHBondContact CA-O 3.39Å; V6-V157 HydrophobicContact CG2-CG2 4.33Å; V6-I173 HydrophobicContact CG1-CD1 4.06Å; V6-L202 HydrophobicContact CG1-CD2 4.32Å; V6-L206 HydrophobicContact CG2-CD1 4.13Å; V6-L206 HydrophobicContact CG2-CD2 3.78Å; V6-L206 HydrophobicContact CG2-CG 4.46Å
7Y97.3Very high92.1Very high21 Ų2132 Ų328%0.08218%0.176CC..EExtended strand (participates in β ladder)trans-125.5138.1173.5-63.9-107.8000109.5S5 L15 Q18 K108 V156 L158S5-Y7 WeakPolarHBondContact OG-CE2 3.34Å; Y7-L15 HydrophobicContact CD1-CD1 3.62Å; Y7-L15 HydrophobicContact CD1-CD2 4.17Å; Y7-L15 HydrophobicContact CE1-CD2 4.44Å; Y7-L15 HydrophobicContact CG-CD1 4.28Å; Y7-Q18 HydrophobicContact CD1-CB 4.26Å; Y7-Q18 HydrophobicContact CE1-CB 4.44Å; Y7-K108 HydrophobicContact CE1-CB 4.26Å; Y7-K108 HydrophobicContact CE1-CG 4.28Å; Y7-V156 PolarHBondContact N-O 3.11Å; Y7-V156 PolarHBondContact O-N 2.66Å; Y7-L158 HydrophobicContact CE2-CD1 4.25Å
8V96.5Very high92.2Very high0 Ų033.1 Ų33.10%018%0.18CC..EExtended strand (participates in β ladder)trans-117.5117170.4-170.40000108.2I16 Y17 I153 K154 F155 I193 F198V8-I16 HydrophobicContact CB-CG1 4.07Å; V8-I16 HydrophobicContact CG1-CD1 3.87Å; V8-I16 HydrophobicContact CG1-CG1 3.81Å; V8-I16 VanDerWaalsContact O-CG1 3.26Å; V8-I16 WeakPolarHBondContact O-CG1 3.42Å; V8-I16 PolarHBondContact O-N 3.38Å; V8-Y17 HydrophobicContact CG2-CD1 4.05Å; V8-Y17 HydrophobicContact CG2-CG 4.36Å; V8-Y17 PolarHBondContact N-O 3.36Å; V8-Y17 PolarHBondContact O-N 3.3Å; V8-I153 HydrophobicContact CG1-CG2 3.9Å; V8-K154 WeakPolarHBondContact CA-O 3.48Å; V8-F155 HydrophobicContact CB-CD1 4.46Å; V8-F155 HydrophobicContact CG1-CD1 3.87Å; V8-F155 HydrophobicContact CG1-CE1 3.8Å; V8-F155 HydrophobicContact CG2-CD1 3.96Å; V8-F155 HydrophobicContact CG2-CE1 4.36Å; V8-I193 HydrophobicContact CG1-CD1 4.41Å; V8-F198 HydrophobicContact CG2-CZ 4.4Å
9V96.4Very high92.4Very high2 Ų232.9 Ų32.91%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-114.7131.1-174.6-170.90000109G13 G14 L15 A112 K154V9-G13 VanDerWaalsContact CG1-C 3.45Å; V9-G13 WeakPolarHBondContact CG1-O 3.29Å; V9-G14 CarbonylContact C-O 3.52Å; V9-G14 WeakPolarHBondContact CA-O 3.44Å; V9-L15 HydrophobicContact CG2-CD1 4.35Å; V9-A112 HydrophobicContact CG1-CB 4.5Å; V9-A112 HydrophobicContact CG2-CB 3.94Å; V9-K154 HydrophobicContact CB-CB 4.33Å; V9-K154 PolarHBondContact N-O 2.74Å; V9-K154 PolarHBondContact O-N 3.22Å
10N93.2Very high92.3Very high11 Ų1135.1 Ų35.16%0.05919%0.19CC..  trans-75.4176.8179.374.318.4000112A12 G13 G14 I16 I153N10-A12 PolarHBondContact O-N 3.24Å; N10-A12 WeakPolarHBondContact OD1-CA 3.41Å; N10-A12 WeakPolarHBondContact OD1-CB 3.37Å; N10-A12 PolarHBondContact OD1-N 2.88Å; N10-G13 PolarHBondContact O-N 2.61Å; N10-G13 VanDerWaalsContact O-N 3.08Å; N10-G13 PolarHBondContact OD1-N 3.48Å; N10-G14 PolarHBondContact N-O 3.43Å; N10-G14 PolarHBondContact OD1-N 3.24Å; N10-I16 HydrophobicContact CB-CD1 4.32Å; N10-I16 HydrophobicContact CB-CG2 4Å; N10-I153 HydrophobicContact CB-CD1 4.22Å
11K93.1Very high92Very high149 Ų14934 Ų3465%0.64819%0.185SC*.THydrogen-bonded Turntrans-61.6-25.6179-175.1179176.4-178.40113.3H116 G152K11-H116 PolarHBondContact O-CE1 3.3Å; K11-G152 WeakPolarHBondContact CA-O 3.31Å
12A91.4Very high92Very high76 Ų7634.2 Ų34.263%0.62818%0.18SC*.THydrogen-bonded Turntrans-89.20.6178.300000113.7N10N10-A12 PolarHBondContact O-N 3.24Å; N10-A12 WeakPolarHBondContact OD1-CA 3.41Å; N10-A12 WeakPolarHBondContact OD1-CB 3.37Å; N10-A12 PolarHBondContact OD1-N 2.88Å
13G91.7Very high90.8Very high1 Ų135.2 Ų35.21%0.0119%0.188CC..SBendtrans872.2-176.600000114.7V9 N10 S113 H116V9-G13 VanDerWaalsContact CG1-C 3.45Å; V9-G13 WeakPolarHBondContact CG1-O 3.29Å; N10-G13 PolarHBondContact O-N 2.61Å; N10-G13 VanDerWaalsContact O-N 3.08Å; N10-G13 PolarHBondContact OD1-N 3.48Å; G13-S113 PolarHBondContact O-OG 3.34Å; G13-H116 VanDerWaalsContact CA-CG 3.49Å; G13-H116 WeakPolarHBondContact CA-ND1 3.37Å; G13-H116 PolarHBondContact N-ND1 2.88Å
14G93.6Very high89.2Confident25 Ų2540.7 Ų40.726%0.25822%0.224SC..  trans-74.8135.9175.400000112.5V9 N10 I16V9-G14 CarbonylContact C-O 3.52Å; V9-G14 WeakPolarHBondContact CA-O 3.44Å; N10-G14 PolarHBondContact N-O 3.43Å; N10-G14 PolarHBondContact OD1-N 3.24Å; G14-I16 PolarHBondContact O-N 2.93Å
15L95.1Very high88Confident30 Ų3042 Ų4216%0.15723%0.227CC..EExtended strand (participates in β ladder)trans-76.6114.9174.5-173.561.3000110.1Y7 V9 Y17 Q18 K108 L109 A112Y7-L15 HydrophobicContact CD1-CD1 3.62Å; Y7-L15 HydrophobicContact CD1-CD2 4.17Å; Y7-L15 HydrophobicContact CE1-CD2 4.44Å; Y7-L15 HydrophobicContact CG-CD1 4.28Å; V9-L15 HydrophobicContact CG2-CD1 4.35Å; L15-Y17 VanDerWaalsContact CD1-O 3.25Å; L15-Y17 WeakPolarHBondContact CD1-O 3.46Å; L15-Q18 HydrophobicContact CD1-CB 4.22Å; L15-Q18 HydrophobicContact CD2-CB 3.97Å; L15-Q18 HydrophobicContact CG-CB 4.31Å; L15-K108 HydrophobicContact CD2-CB 3.98Å; L15-L109 HydrophobicContact CB-CD2 3.7Å; L15-A112 HydrophobicContact CB-CB 3.93Å; L15-A112 HydrophobicContact CD1-CB 4.12Å; L15-A112 HydrophobicContact CG-CB 4.45Å
16I93.9Very high86.9Confident4 Ų445.7 Ų45.72%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-105.8-16.7-179.158.2170.2000113V8 N10 G14 Y177 P192 I193V8-I16 HydrophobicContact CB-CG1 4.07Å; V8-I16 HydrophobicContact CG1-CD1 3.87Å; V8-I16 HydrophobicContact CG1-CG1 3.81Å; V8-I16 VanDerWaalsContact O-CG1 3.26Å; V8-I16 WeakPolarHBondContact O-CG1 3.42Å; V8-I16 PolarHBondContact O-N 3.38Å; N10-I16 HydrophobicContact CB-CD1 4.32Å; N10-I16 HydrophobicContact CB-CG2 4Å; G14-I16 PolarHBondContact O-N 2.93Å; I16-Y177 HydrophobicContact CD1-CE2 4.41Å; I16-P192 CarbonylContact O-C 3.54Å; I16-P192 WeakPolarHBondContact O-CA 3.41Å; I16-I193 HydrophobicContact CD1-CD1 4.22Å; I16-I193 HydrophobicContact CD1-CG1 4.39Å; I16-I193 HydrophobicContact CG1-CD1 4.44Å; I16-I193 PolarHBondContact O-N 3.08Å
17Y95.3Very high86.6Confident22 Ų2250.3 Ų50.39%0.08628%0.279CS..EExtended strand (participates in β ladder)trans-154.6146.7169.7-179.6-85.7000110.4V8 L15 L19 I193 F198 D199 L202V8-Y17 HydrophobicContact CG2-CD1 4.05Å; V8-Y17 HydrophobicContact CG2-CG 4.36Å; V8-Y17 PolarHBondContact N-O 3.36Å; V8-Y17 PolarHBondContact O-N 3.3Å; L15-Y17 VanDerWaalsContact CD1-O 3.25Å; L15-Y17 WeakPolarHBondContact CD1-O 3.46Å; Y17-L19 HydrophobicContact CE1-CB 3.72Å; Y17-I193 HydrophobicContact CD2-CB 4.19Å; Y17-F198 AromaticContact CD1-CE1 3.84Å; Y17-F198 HydrophobicContact CD1-CE1 3.84Å; Y17-F198 AromaticContact CD2-CD1 3.92Å; Y17-F198 HydrophobicContact CD2-CD1 3.92Å; Y17-F198 AromaticContact CD2-CE1 3.72Å; Y17-F198 HydrophobicContact CD2-CE1 3.72Å; Y17-F198 AromaticContact CE1-CE1 3.97Å; Y17-F198 HydrophobicContact CE1-CE1 3.97Å; Y17-F198 AromaticContact CE2-CD1 3.83Å; Y17-F198 HydrophobicContact CE2-CD1 3.83Å; Y17-F198 AromaticContact CE2-CE1 3.84Å; Y17-F198 HydrophobicContact CE2-CE1 3.84Å; Y17-F198 HydrophobicContact CG-CD1 4.39Å; Y17-F198 AromaticContact CG-CE1 3.72Å; Y17-F198 HydrophobicContact CG-CE1 3.72Å; Y17-F198 AromaticContact CZ-CE1 3.97Å; Y17-D199 PolarHBondContact OH-OD1 3.23Å; Y17-L202 HydrophobicContact CD1-CD2 4.09Å; Y17-L202 HydrophobicContact CE1-CD2 3.2Å
18Q94.9Very high86.4Confident52 Ų5249.9 Ų49.924%0.24328%0.281CS..EExtended strand (participates in β ladder)trans-149.6141175.6106.384.452.300110.7V6 Y7 L15 D20 K108V6-Q18 CarbonylContact O-C 3.48Å; V6-Q18 VanDerWaalsContact O-CA 3.3Å; V6-Q18 WeakPolarHBondContact O-CA 3.25Å; Y7-Q18 HydrophobicContact CD1-CB 4.26Å; Y7-Q18 HydrophobicContact CE1-CB 4.44Å; L15-Q18 HydrophobicContact CD1-CB 4.22Å; L15-Q18 HydrophobicContact CD2-CB 3.97Å; L15-Q18 HydrophobicContact CG-CB 4.31Å; Q18-D20 PolarHBondContact NE2-OD1 3.44Å; Q18-D20 PolarHBondContact NE2-OD2 3.07Å; Q18-D20 PolarHBondContact OE1-OD1 3.48Å; Q18-D20 VanDerWaalsContact OE1-OD1 3.11Å; Q18-K108 HydrophobicContact CG-CD 4.11Å
19L94.6Very high86.3Confident30 Ų3054.7 Ų54.716%0.15730%0.303CS..EExtended strand (participates in β ladder)trans-141.9129.5176.5178.764000109.7S5 V6 Y17 L202 K203 L206S5-L19 CarbonylContact C-O 3.56Å; S5-L19 WeakPolarHBondContact CA-O 3.32Å; S5-L19 VanDerWaalsContact CB-O 3.3Å; S5-L19 WeakPolarHBondContact CB-O 3.31Å; V6-L19 PolarHBondContact N-O 2.9Å; V6-L19 PolarHBondContact O-N 2.88Å; Y17-L19 HydrophobicContact CE1-CB 3.72Å; L19-L202 HydrophobicContact CD2-CD2 4.14Å; L19-L202 HydrophobicContact CD2-CG 4.49Å; L19-K203 HydrophobicContact CD2-CG 4.15Å; L19-L206 HydrophobicContact CD2-CD1 3.6Å
20D91.9Very high86.2Confident75 Ų7556.7 Ų56.740%0.40131%0.312SS..EExtended strand (participates in β ladder)trans-100.1130.1172.4-61.2-25.4000109.5Q18 K108Q18-D20 PolarHBondContact NE2-OD1 3.44Å; Q18-D20 PolarHBondContact NE2-OD2 3.07Å; Q18-D20 PolarHBondContact OE1-OD1 3.48Å; Q18-D20 VanDerWaalsContact OE1-OD1 3.11Å; D20-K108 IonicContact OD1-NZ 3.84Å; D20-K108 IonicContact OD2-NZ 2.78Å; D20-K108 PolarHBondContact OD2-NZ 2.89Å
21S84.6Confident86.3Confident13 Ų1360.5 Ų60.59%0.09134%0.335CS..  trans-96.896.8171.7-69.30000107.6I3 F4 A23I3-S21 WeakPolarHBondContact O-CB 3.48Å; F4-S21 PolarHBondContact O-N 3.47Å; S21-A23 PolarHBondContact O-N 3.39Å
22Y68.4Low86.5Confident121 Ų12153.7 Ų53.748%0.47531%0.306SS..PPolyproline II helixtrans-66.9117.9-167.2-170.3-102.3000112.2P24Y22-P24 HydrophobicContact CE1-CB 4.44Å
23A58.9Low86.7Confident36 Ų3654.3 Ų54.330%0.29831%0.306SS..PPolyproline II helixtrans-94.8136.7156.100000108.9S21 R25S21-A23 PolarHBondContact O-N 3.39Å; A23-R25 PolarHBondContact O-N 2.83Å; A23-R25 VanDerWaalsContact O-N 3.17Å
24P57.7Low86.9Confident116 Ų11660.3 Ų60.375%0.75333%0.329SS*.PPolyproline II helixtrans-56.8123.2174.222.4-31.4000109.7Y22Y22-P24 HydrophobicContact CE1-CB 4.44Å
25R68.2Low86.9Confident92 Ų9263.7 Ų63.735%0.34735%0.346SS..PPolyproline II helixtrans-79.6143.3-179.8-65.2179.2178.1-159.5-3.6109.1A23 E27 R100 P101A23-R25 PolarHBondContact O-N 2.83Å; A23-R25 VanDerWaalsContact O-N 3.17Å; R25-E27 PolarHBondContact O-N 3.45Å; R25-E27 VanDerWaalsContact O-N 3.08Å; R25-R100 PolarHBondContact NH1-O 3Å; R25-P101 VanDerWaalsContact NH1-C 3.29Å; R25-P101 PolarHBondContact NH1-O 3.38Å
26A72.4Confident86.8Confident84 Ų8464.1 Ų64.169%0.69435%0.349SS*.  trans-65.7110.5170.400000108.8
27E89Confident86.8Confident96 Ų9667.4 Ų67.445%0.44937%0.366SS..  trans-104139.2169.6-66.2-179.6-169.800108R25 L64 R97 F98R25-E27 PolarHBondContact O-N 3.45Å; R25-E27 VanDerWaalsContact O-N 3.08Å; E27-L64 HydrophobicContact CG-CD1 4Å; E27-R97 WeakPolarHBondContact OE2-CD 3.47Å; E27-F98 WeakPolarHBondContact CA-O 3.3Å
28A92.9Very high86.8Confident13 Ų1367 Ų6711%0.10737%0.365CS..EExtended strand (participates in β ladder)trans-120.8119.7178.600000108.3I57 R97 F98A28-I57 HydrophobicContact CB-CG1 3.79Å; A28-R97 WeakPolarHBondContact O-CA 2.96Å; A28-F98 PolarHBondContact N-O 2.89Å; A28-F98 PolarHBondContact O-N 3.16Å
29E94.7Very high86.8Confident100 Ų10069.4 Ų69.447%0.46738%0.379SS..EExtended strand (participates in β ladder)trans-109.1131.1173.9-169.5159.217100109.7S95 I96 R97E29-S95 WeakPolarHBondContact CG-OG 3.37Å; E29-S95 PolarHBondContact OE1-OG 2.82Å; E29-I96 WeakPolarHBondContact CA-O 3.27Å; E29-R97 HydrophobicContact CB-CB 4.34Å; E29-R97 HydrophobicContact CB-CG 4.13Å; E29-R97 HydrophobicContact CG-CB 4.23Å; E29-R97 IonicContact OE2-CZ 2.66Å; E29-R97 IonicContact OE2-NE 3.4Å; E29-R97 PolarHBondContact OE2-NE 2.87Å; E29-R97 IonicContact OE2-NH2 3.9Å
30K94.9Very high86.9Confident45 Ų4569.1 Ų69.120%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-146.8146.4-179178.9175.8173.9-170.60110.9F32 D37 D55 I57 S95 I96K30-F32 HydrophobicContact CB-CE2 3.7Å; K30-F32 HydrophobicContact CB-CZ 3.83Å; K30-F32 HydrophobicContact CD-CE1 3.94Å; K30-F32 HydrophobicContact CD-CE2 4.37Å; K30-F32 HydrophobicContact CD-CZ 3.79Å; K30-F32 HydrophobicContact CG-CD2 4.47Å; K30-F32 HydrophobicContact CG-CE1 4.34Å; K30-F32 HydrophobicContact CG-CE2 3.96Å; K30-F32 HydrophobicContact CG-CZ 3.89Å; K30-F32 WeakPolarHBondContact O-CD2 3.32Å; K30-F32 WeakPolarHBondContact O-CE2 3.42Å; K30-D37 IonicContact NZ-OD2 3.05Å; K30-D55 HydrophobicContact CD-CB 4.21Å; K30-D55 WeakPolarHBondContact CD-OD2 3.48Å; K30-D55 VanDerWaalsContact CE-OD2 3.31Å; K30-D55 WeakPolarHBondContact CE-OD2 3.35Å; K30-D55 IonicContact NZ-OD2 3.06Å; K30-D55 PolarHBondContact NZ-OD2 3.42Å; K30-I57 HydrophobicContact CB-CD1 4.47Å; K30-S95 CarbonylContact O-C 3.6Å; K30-S95 WeakPolarHBondContact O-CA 3.31Å; K30-I96 PolarHBondContact N-O 2.97Å; K30-I96 VanDerWaalsContact N-O 3.07Å; K30-I96 PolarHBondContact O-N 3.22Å
31T96.2Very high87.1Confident90 Ų9070.3 Ų70.355%0.55238%0.379SS*.EExtended strand (participates in β ladder)trans-90.1132.9170.5-51.30000110.8P93 V94T31-P93 HydrophobicContact CG2-CB 3.97Å; T31-V94 CarbonylContact C-O 3.47Å; T31-V94 WeakPolarHBondContact CA-O 3.43Å
32F96.1Very high87.6Confident6 Ų673.4 Ų73.43%0.02639%0.394CS..EExtended strand (participates in β ladder)trans-117.1151.5-177.7-61.3-94000111.2K30 L36 D37 L38 I57 Y92 P93 V94 I96 F98K30-F32 HydrophobicContact CB-CE2 3.7Å; K30-F32 HydrophobicContact CB-CZ 3.83Å; K30-F32 HydrophobicContact CD-CE1 3.94Å; K30-F32 HydrophobicContact CD-CE2 4.37Å; K30-F32 HydrophobicContact CD-CZ 3.79Å; K30-F32 HydrophobicContact CG-CD2 4.47Å; K30-F32 HydrophobicContact CG-CE1 4.34Å; K30-F32 HydrophobicContact CG-CE2 3.96Å; K30-F32 HydrophobicContact CG-CZ 3.89Å; K30-F32 WeakPolarHBondContact O-CD2 3.32Å; K30-F32 WeakPolarHBondContact O-CE2 3.42Å; F32-L36 HydrophobicContact CB-CD2 3.55Å; F32-L36 HydrophobicContact CD1-CD2 3.99Å; F32-L36 HydrophobicContact CD2-CD2 4.46Å; F32-L36 HydrophobicContact CG-CD2 3.75Å; F32-D37 WeakPolarHBondContact CD1-OD1 3.39Å; F32-D37 WeakPolarHBondContact CE1-OD1 3.28Å; F32-L38 HydrophobicContact CE1-CD1 4.01Å; F32-L38 HydrophobicContact CE1-CG 4.43Å; F32-L38 HydrophobicContact CZ-CD1 4.06Å; F32-I57 HydrophobicContact CE1-CD1 4.47Å; F32-I57 HydrophobicContact CE2-CD1 4.5Å; F32-I57 HydrophobicContact CZ-CD1 3.62Å; F32-Y92 HydrophobicContact CB-CE1 4.38Å; F32-Y92 WeakPolarHBondContact O-CD1 3.45Å; F32-P93 WeakPolarHBondContact O-CA 3.38Å; F32-V94 HydrophobicContact CB-CG1 4.23Å; F32-V94 PolarHBondContact N-O 3.2Å; F32-V94 PolarHBondContact O-N 3.33Å; F32-I96 HydrophobicContact CD2-CB 4.17Å; F32-I96 HydrophobicContact CD2-CD1 3.89Å; F32-I96 HydrophobicContact CD2-CG1 3.96Å; F32-I96 HydrophobicContact CE2-CB 3.96Å; F32-I96 HydrophobicContact CE2-CD1 4.26Å; F32-I96 HydrophobicContact CE2-CG1 4.26Å; F32-F98 AromaticContact CE2-CE2 3.75Å; F32-F98 HydrophobicContact CE2-CE2 3.75Å; F32-F98 AromaticContact CZ-CE2 3.79Å; F32-F98 HydrophobicContact CZ-CE2 3.79Å
33S96.7Very high88.8Confident90 Ų9071.9 Ų71.963%0.62939%0.391SS*.  trans-104.3166.8166.7-56.40000109.6P35S33-P35 CarbonylContact O-C 3.51Å; S33-P35 VanDerWaalsContact O-C 3.28Å
34Y95.3Very high90.2Very high126 Ų12675.5 Ų75.549%0.49441%0.406SS..SBendtrans-85.3139.3176.4-173-91.1000111.2P89 Y92Y34-P89 HydrophobicContact CD1-CB 3.93Å; Y34-P89 HydrophobicContact CD2-CB 3.94Å; Y34-P89 HydrophobicContact CE1-CB 4.17Å; Y34-P89 HydrophobicContact CE2-CB 4.17Å; Y34-P89 HydrophobicContact CG-CB 3.8Å; Y34-Y92 AromaticContact CD2-CD2 3.92Å; Y34-Y92 HydrophobicContact CD2-CD2 3.92Å; Y34-Y92 AromaticContact CD2-CE2 3.59Å; Y34-Y92 HydrophobicContact CD2-CE2 3.59Å; Y34-Y92 HydrophobicContact CE2-CE2 4.49Å; Y34-Y92 HydrophobicContact CG-CD2 4.36Å; Y34-Y92 HydrophobicContact CG-CE2 4.41Å; Y34-Y92 VanDerWaalsContact N-CD1 3.34Å
35P93.4Very high91.8Very high97 Ų9775.1 Ų75.163%0.6339%0.394SS*.SBendcis-76.5163.6-11.333.8-35.5000111.8S33S33-P35 CarbonylContact O-C 3.51Å; S33-P35 VanDerWaalsContact O-C 3.28Å
36L93.9Very high93Very high39 Ų3973.2 Ų73.220%0.20439%0.387CS..PPolyproline II helixtrans-60.3142173.1-65.4174.8000111.2F32 L38 L40 L86 Y92 I96F32-L36 HydrophobicContact CB-CD2 3.55Å; F32-L36 HydrophobicContact CD1-CD2 3.99Å; F32-L36 HydrophobicContact CD2-CD2 4.46Å; F32-L36 HydrophobicContact CG-CD2 3.75Å; L36-L38 PolarHBondContact O-N 3.38Å; L36-L40 HydrophobicContact CD1-CD1 3.95Å; L36-L40 HydrophobicContact CD1-CG 4.43Å; L36-L86 HydrophobicContact CD1-CB 4.21Å; L36-L86 HydrophobicContact CD1-CD1 4.16Å; L36-Y92 HydrophobicContact CD2-CE1 3.75Å; L36-Y92 HydrophobicContact CG-CE1 4.25Å; L36-Y92 VanDerWaalsContact CG-OH 3.24Å; L36-Y92 WeakPolarHBondContact CG-OH 3.35Å; L36-I96 HydrophobicContact CD2-CD1 4.08Å
37D92.2Very high94.2Very high73 Ų7369.3 Ų69.339%0.3935%0.354SS..SBendtrans-82.13.4170.758.5-19.1000112.8K30 F32 R54K30-D37 IonicContact NZ-OD2 3.05Å; F32-D37 WeakPolarHBondContact CD1-OD1 3.39Å; F32-D37 WeakPolarHBondContact CE1-OD1 3.28Å; D37-R54 IonicContact OD2-NH1 3.5Å
38L95Very high94.5Very high13 Ų1365.8 Ų65.87%0.06834%0.339CS..SBendtrans-121.3141.3179.4-59.2175.2000110.6F32 L36 L40 V49 I57 F98F32-L38 HydrophobicContact CE1-CD1 4.01Å; F32-L38 HydrophobicContact CE1-CG 4.43Å; F32-L38 HydrophobicContact CZ-CD1 4.06Å; L36-L38 PolarHBondContact O-N 3.38Å; L38-L40 HydrophobicContact CB-CD2 4.36Å; L38-V49 HydrophobicContact CD2-CG1 4.44Å; L38-I57 HydrophobicContact CD1-CD1 3.95Å; L38-I57 HydrophobicContact CD1-CG2 3.84Å; L38-F98 HydrophobicContact CD1-CE2 4.15Å; L38-F98 HydrophobicContact CD1-CZ 3.94Å
39L95.7Very high94.7Very high102 Ų10265.2 Ų65.253%0.53433%0.334SS..EExtended strand (participates in β ladder)trans-91.4117.9171.4-158.8157.2000108.5A50 F51L39-A50 HydrophobicContact CD2-CB 3.64Å; L39-A50 WeakPolarHBondContact O-CA 3.48Å; L39-A50 WeakPolarHBondContact O-CB 3.35Å; L39-A50 PolarHBondContact O-N 2.88Å; L39-F51 HydrophobicContact CB-CB 3.84Å; L39-F51 PolarHBondContact N-O 3.22Å; L39-F51 PolarHBondContact O-N 3.2Å
40L96.3Very high94.8Very high24 Ų2461.8 Ų61.813%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-101.8144.4177.3-55-174.8000110.7L36 L38 V47 L48 V49 V63 L83 L86 F98L36-L40 HydrophobicContact CD1-CD1 3.95Å; L36-L40 HydrophobicContact CD1-CG 4.43Å; L38-L40 HydrophobicContact CB-CD2 4.36Å; L40-V47 HydrophobicContact CB-CG1 3.81Å; L40-V47 HydrophobicContact CD1-CG1 4Å; L40-V47 HydrophobicContact CG-CG1 4.42Å; L40-L48 CarbonylContact C-O 3.57Å; L40-L48 WeakPolarHBondContact CA-O 3.49Å; L40-V49 HydrophobicContact CD2-CB 4.36Å; L40-V49 HydrophobicContact CD2-CG2 3.82Å; L40-V63 HydrophobicContact CD1-CG2 4.26Å; L40-L83 HydrophobicContact CB-CD2 3.85Å; L40-L86 HydrophobicContact CD1-CD1 3.52Å; L40-F98 HydrophobicContact CD2-CE1 3.99Å; L40-F98 HydrophobicContact CD2-CZ 4.43Å
41K96.4Very high94.8Very high100 Ų10067 Ų6744%0.43535%0.345SS..EExtended strand (participates in β ladder)trans-134.5149.8174.172.7179.9177.8175.50111.1V47 L48 A50K41-V47 WeakPolarHBondContact O-CA 3.42Å; K41-L48 PolarHBondContact N-O 2.83Å; K41-L48 PolarHBondContact O-N 2.83Å; K41-A50 HydrophobicContact CB-CB 4.04Å; K41-A50 HydrophobicContact CD-CB 3.7Å; K41-A50 HydrophobicContact CG-CB 3.78Å
42L96Very high94.7Very high78 Ų7863.5 Ų63.541%0.40833%0.327SS..EExtended strand (participates in β ladder)trans-78.9131168.5-175.665.8000109.7V47 K74 L83L42-V47 HydrophobicContact CD1-CG2 4.37Å; L42-K74 HydrophobicContact CD1-CB 3.49Å; L42-K74 VanDerWaalsContact CD1-CB 3.49Å; L42-K74 HydrophobicContact CD1-CD 3.92Å; L42-K74 HydrophobicContact CD1-CG 4.36Å; L42-K74 HydrophobicContact CD2-CD 4.03Å; L42-L83 HydrophobicContact CB-CD1 4.15Å
43H93.6Very high94.5Very high89 Ų8969.4 Ų69.441%0.41236%0.355SS..EExtended strand (participates in β ladder)trans-149.9125.4175.4-169.1-77.1000109.4E45 R46 L48H43-E45 VanDerWaalsContact C-N 3.35Å; H43-E45 PolarHBondContact O-N 3.5Å; H43-R46 PolarHBondContact N-O 2.82Å; H43-R46 PolarHBondContact O-N 2.86Å; H43-L48 HydrophobicContact CB-CD1 3.75Å; H43-L48 HydrophobicContact CB-CG 4.2Å
44D88.5Confident94.1Very high112 Ų11272 Ų7260%0.59935%0.351SS*.THydrogen-bonded Turntrans44.654.4-178.7-58.7-35.6000113.6R46D44-R46 PolarHBondContact O-N 3.27Å; D44-R46 VanDerWaalsContact O-N 3.08Å
45E90.8Very high93.9Very high108 Ų10870.8 Ų70.851%0.50535%0.353SS..THydrogen-bonded Turntrans60.617.1180-61-6512600114.8H43 G73 K74H43-E45 VanDerWaalsContact C-N 3.35Å; H43-E45 PolarHBondContact O-N 3.5Å; E45-G73 CarbonylContact O-C 3.6Å; E45-G73 WeakPolarHBondContact O-CA 3.43Å; E45-K74 VanDerWaalsContact CD-NZ 3.28Å; E45-K74 PolarHBondContact O-N 2.8Å; E45-K74 IonicContact OE1-NZ 3.69Å; E45-K74 PolarHBondContact OE1-NZ 2.87Å; E45-K74 VanDerWaalsContact OE2-CD 3.28Å; E45-K74 WeakPolarHBondContact OE2-CD 3.46Å; E45-K74 WeakPolarHBondContact OE2-CE 3.45Å; E45-K74 IonicContact OE2-NZ 3.95Å; E45-K74 PolarHBondContact OE2-NZ 2.9Å
46R93.7Very high93.7Very high53 Ų5368.6 Ų68.620%0.235%0.348CS..EExtended strand (participates in β ladder)trans-125.7143.9176.8-65.8171.3174.8162.1-3.9111H43 D44 L48 R102 E107H43-R46 PolarHBondContact N-O 2.82Å; H43-R46 PolarHBondContact O-N 2.86Å; D44-R46 PolarHBondContact O-N 3.27Å; D44-R46 VanDerWaalsContact O-N 3.08Å; R46-L48 HydrophobicContact CB-CD2 4.06Å; R46-R102 VanDerWaalsContact CZ-O 3.26Å; R46-R102 PolarHBondContact NH1-O 3.37Å; R46-R102 VanDerWaalsContact NH1-O 3.09Å; R46-R102 PolarHBondContact NH2-O 2.84Å; R46-E107 IonicContact NH1-OE1 3.91Å; R46-E107 PolarHBondContact NH1-OE1 2.81Å; R46-E107 IonicContact NH1-OE2 3.51Å; R46-E107 PolarHBondContact NH1-OE2 2.96Å; R46-E107 IonicContact NH2-OE2 2.7Å
47V96.6Very high93.8Very high2 Ų266.9 Ų66.91%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-89.2114172.1-179.30000109.2L40 K41 L42 A62 V63 V82 L83L40-V47 HydrophobicContact CB-CG1 3.81Å; L40-V47 HydrophobicContact CD1-CG1 4Å; L40-V47 HydrophobicContact CG-CG1 4.42Å; K41-V47 WeakPolarHBondContact O-CA 3.42Å; L42-V47 HydrophobicContact CD1-CG2 4.37Å; V47-A62 CarbonylContact O-C 3.53Å; V47-A62 VanDerWaalsContact O-CA 3.31Å; V47-A62 WeakPolarHBondContact O-CA 3.46Å; V47-V63 HydrophobicContact CB-CB 4.44Å; V47-V63 HydrophobicContact CB-CG2 4.15Å; V47-V63 HydrophobicContact CG1-CG2 3.96Å; V47-V63 PolarHBondContact O-N 3.34Å; V47-V82 HydrophobicContact CB-CG1 4.15Å; V47-V82 HydrophobicContact CG1-CG1 4.19Å; V47-V82 HydrophobicContact CG2-CB 3.88Å; V47-V82 HydrophobicContact CG2-CG1 3.88Å; V47-L83 HydrophobicContact CG1-CD2 3.71Å; V47-L83 HydrophobicContact CG1-CG 4.33Å; V47-L83 HydrophobicContact CG2-CD2 4.42Å; V47-L83 HydrophobicContact CG2-CG 4.13Å
48L96.7Very high93.8Very high22 Ų2270.4 Ų70.412%0.11535%0.347CS..EExtended strand (participates in β ladder)trans-111.1150.6-177-54.3-175.3000111.6L40 K41 H43 R46 A50 H61 A62 P101L40-L48 CarbonylContact C-O 3.57Å; L40-L48 WeakPolarHBondContact CA-O 3.49Å; K41-L48 PolarHBondContact N-O 2.83Å; K41-L48 PolarHBondContact O-N 2.83Å; H43-L48 HydrophobicContact CB-CD1 3.75Å; H43-L48 HydrophobicContact CB-CG 4.2Å; R46-L48 HydrophobicContact CB-CD2 4.06Å; L48-A50 PolarHBondContact O-N 3Å; L48-H61 CarbonylContact C-O 3Å; L48-H61 VanDerWaalsContact CA-O 3.29Å; L48-H61 WeakPolarHBondContact CA-O 3.39Å; L48-A62 HydrophobicContact CD2-CB 3.46Å; L48-A62 VanDerWaalsContact CD2-CB 3.46Å; L48-P101 HydrophobicContact CD2-CG 4.49Å
49V96.8Very high93.8Very high1 Ų173.2 Ų73.21%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-70.2111.3167.6-177.30000108.7L38 L40 G52 I57 G60 H61 F98L38-V49 HydrophobicContact CD2-CG1 4.44Å; L40-V49 HydrophobicContact CD2-CB 4.36Å; L40-V49 HydrophobicContact CD2-CG2 3.82Å; V49-G52 WeakPolarHBondContact CG1-O 3.24Å; V49-I57 HydrophobicContact CG2-CG2 3.82Å; V49-G60 PolarHBondContact O-N 3.42Å; V49-H61 HydrophobicContact CG2-CB 4.37Å; V49-H61 PolarHBondContact N-O 3.44Å; V49-F98 HydrophobicContact CG2-CD1 3.66Å; V49-F98 HydrophobicContact CG2-CE1 3.61Å
50A95.9Very high93.7Very high28 Ų2870 Ų7023%0.23136%0.355CS..EExtended strand (participates in β ladder)trans-84-38.9176.400000112.1L39 K41 L48L39-A50 HydrophobicContact CD2-CB 3.64Å; L39-A50 WeakPolarHBondContact O-CA 3.48Å; L39-A50 WeakPolarHBondContact O-CB 3.35Å; L39-A50 PolarHBondContact O-N 2.88Å; K41-A50 HydrophobicContact CB-CB 4.04Å; K41-A50 HydrophobicContact CD-CB 3.7Å; K41-A50 HydrophobicContact CG-CB 3.78Å; L48-A50 PolarHBondContact O-N 3Å
51F95.8Very high93.7Very high154 Ų15469.3 Ų69.368%0.67535%0.352SS*.EExtended strand (participates in β ladder)trans-150.1151.2-179.2-171.9-99.4000111.4L39L39-F51 HydrophobicContact CB-CB 3.84Å; L39-F51 PolarHBondContact N-O 3.22Å; L39-F51 PolarHBondContact O-N 3.2Å
52G92.4Very high93.6Very high16 Ų1664.7 Ų64.717%0.16533%0.332CS..  trans95.5136.4-174.800000112.3V49V49-G52 WeakPolarHBondContact CG1-O 3.24Å
53Q92.5Very high93.6Very high131 Ų13161.3 Ų61.361%0.61232%0.315SS*.  trans-140.3124.7175.3-59.5-168.2-300109I57 V59Q53-I57 VanDerWaalsContact CA-O 3.28Å; Q53-I57 WeakPolarHBondContact CA-O 3.26Å; Q53-V59 HydrophobicContact CG-CG2 4Å
54R89.6Confident93.7Very high144 Ų14459.1 Ų59.154%0.54331%0.306SS..BIsolated β-bridgetrans-162.2147.4-178.1-154.9-175.2166.3162.97.2110.6D37 G56 I57D37-R54 IonicContact OD2-NH1 3.5Å; R54-G56 PolarHBondContact O-N 3.27Å; R54-G56 VanDerWaalsContact O-N 3.08Å; R54-I57 PolarHBondContact N-O 2.89Å; R54-I57 VanDerWaalsContact O-CB 3.26Å; R54-I57 WeakPolarHBondContact O-CB 3.48Å; R54-I57 PolarHBondContact O-N 3.38Å
55D89.6Confident94Very high100 Ų10053.8 Ų53.854%0.53528%0.277SS..THydrogen-bonded Turntrans5238.1169.1-49.1-42.2000113.7K30 I57K30-D55 HydrophobicContact CD-CB 4.21Å; K30-D55 WeakPolarHBondContact CD-OD2 3.48Å; K30-D55 VanDerWaalsContact CE-OD2 3.31Å; K30-D55 WeakPolarHBondContact CE-OD2 3.35Å; K30-D55 IonicContact NZ-OD2 3.06Å; K30-D55 PolarHBondContact NZ-OD2 3.42Å; D55-I57 VanDerWaalsContact C-N 3.35Å
56G90.3Very high94.3Very high51 Ų5149 Ų4953%0.52626%0.255SS..THydrogen-bonded Turntrans87.8-8.8-178.600000115.5R54 H61R54-G56 PolarHBondContact O-N 3.27Å; R54-G56 VanDerWaalsContact O-N 3.08Å; G56-H61 PolarHBondContact O-CE1 3.35Å
57I94.5Very high94.4Very high3 Ų349.9 Ų49.92%0.01526%0.264CS..BIsolated β-bridgetrans-80.8129.9175.3-53.9164.1000109.2A28 K30 F32 L38 V49 Q53 R54 D55 F98A28-I57 HydrophobicContact CB-CG1 3.79Å; K30-I57 HydrophobicContact CB-CD1 4.47Å; F32-I57 HydrophobicContact CE1-CD1 4.47Å; F32-I57 HydrophobicContact CE2-CD1 4.5Å; F32-I57 HydrophobicContact CZ-CD1 3.62Å; L38-I57 HydrophobicContact CD1-CD1 3.95Å; L38-I57 HydrophobicContact CD1-CG2 3.84Å; V49-I57 HydrophobicContact CG2-CG2 3.82Å; Q53-I57 VanDerWaalsContact CA-O 3.28Å; Q53-I57 WeakPolarHBondContact CA-O 3.26Å; R54-I57 PolarHBondContact N-O 2.89Å; R54-I57 VanDerWaalsContact O-CB 3.26Å; R54-I57 WeakPolarHBondContact O-CB 3.48Å; R54-I57 PolarHBondContact O-N 3.38Å; D55-I57 VanDerWaalsContact C-N 3.35Å; I57-F98 HydrophobicContact CD1-CD2 3.56Å; I57-F98 HydrophobicContact CD1-CE2 3.8Å; I57-F98 HydrophobicContact CD1-CG 4.39Å; I57-F98 HydrophobicContact CG1-CB 4.24Å; I57-F98 HydrophobicContact CG1-CD2 3.83Å; I57-F98 HydrophobicContact CG1-CG 4.24Å; I57-F98 HydrophobicContact CG2-CB 4.15Å; I57-F98 HydrophobicContact CG2-CD1 4.25Å; I57-F98 HydrophobicContact CG2-CD2 4.15Å; I57-F98 HydrophobicContact CG2-CG 3.94Å
58R94.1Very high94.2Very high147 Ų14751.8 Ų51.856%0.55528%0.284SS*.  trans-124157.6-179.2-58.9-174.5-177.8-1601.2111.2G60 H61R58-G60 PolarHBondContact O-N 3.01Å; R58-H61 PolarHBondContact N-ND1 3.11Å; R58-H61 VanDerWaalsContact O-CB 3.26Å; R58-H61 WeakPolarHBondContact O-CB 3.45Å; R58-H61 PolarHBondContact O-N 3.39Å
59V94.9Very high94.1Very high72 Ų7255 Ų5544%0.43630%0.3SS..THydrogen-bonded Turntrans-56.4136.4169.91740000109.3Q53 H61Q53-V59 HydrophobicContact CG-CG2 4Å; V59-H61 VanDerWaalsContact C-N 3.31Å
60G93.1Very high94Very high34 Ų3460 Ų6035%0.35133%0.326SS..THydrogen-bonded Turntrans84.1-5.3-174.700000115V49 R58V49-G60 PolarHBondContact O-N 3.42Å; R58-G60 PolarHBondContact O-N 3.01Å
61H95.3Very high93.9Very high10 Ų1059.9 Ų59.95%0.04632%0.322CS..PPolyproline II helixtrans-66.2139.8166.3-74-167.4000110.1L48 V49 G56 R58 V59 F98 G99L48-H61 CarbonylContact C-O 3Å; L48-H61 VanDerWaalsContact CA-O 3.29Å; L48-H61 WeakPolarHBondContact CA-O 3.39Å; V49-H61 HydrophobicContact CG2-CB 4.37Å; V49-H61 PolarHBondContact N-O 3.44Å; G56-H61 PolarHBondContact O-CE1 3.35Å; R58-H61 PolarHBondContact N-ND1 3.11Å; R58-H61 VanDerWaalsContact O-CB 3.26Å; R58-H61 WeakPolarHBondContact O-CB 3.45Å; R58-H61 PolarHBondContact O-N 3.39Å; V59-H61 VanDerWaalsContact C-N 3.31Å; H61-F98 HydrophobicContact CB-CB 4.13Å; H61-G99 CarbonylContact C-O 3.28Å; H61-G99 WeakPolarHBondContact CA-O 3.49Å
62A95.4Very high93.8Very high3 Ų358.4 Ų58.43%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-92.1150.5173.200000110.6V47 L48 L64 F98 G99 P101V47-A62 CarbonylContact O-C 3.53Å; V47-A62 VanDerWaalsContact O-CA 3.31Å; V47-A62 WeakPolarHBondContact O-CA 3.46Å; L48-A62 HydrophobicContact CD2-CB 3.46Å; L48-A62 VanDerWaalsContact CD2-CB 3.46Å; A62-L64 HydrophobicContact CB-CD2 4.38Å; A62-L64 PolarHBondContact O-N 2.97Å; A62-F98 VanDerWaalsContact O-CA 3.29Å; A62-F98 WeakPolarHBondContact O-CA 3.49Å; A62-G99 PolarHBondContact N-O 3.44Å; A62-G99 PolarHBondContact O-N 3.09Å; A62-P101 HydrophobicContact CB-CB 3.99Å; A62-P101 HydrophobicContact CB-CG 4.38Å
63V96Very high93.7Very high7 Ų759.1 Ų59.14%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-66.4122.7162.5179.30000107.7L40 V47 I66 V71 V82 I96 F98L40-V63 HydrophobicContact CD1-CG2 4.26Å; V47-V63 HydrophobicContact CB-CB 4.44Å; V47-V63 HydrophobicContact CB-CG2 4.15Å; V47-V63 HydrophobicContact CG1-CG2 3.96Å; V47-V63 PolarHBondContact O-N 3.34Å; V63-I66 HydrophobicContact CG1-CD1 4.22Å; V63-I66 HydrophobicContact CG1-CG1 3.91Å; V63-V71 HydrophobicContact CG1-CG1 3.91Å; V63-V71 HydrophobicContact CG1-CG2 4.2Å; V63-V71 WeakPolarHBondContact O-CG2 3.39Å; V63-V82 HydrophobicContact CG1-CG1 4.5Å; V63-I96 HydrophobicContact CG1-CG2 3.82Å; V63-I96 HydrophobicContact CG2-CG2 4.2Å; V63-F98 HydrophobicContact CG2-CD1 4.17Å; V63-F98 HydrophobicContact CG2-CE1 3.64Å; V63-F98 HydrophobicContact CG2-CZ 4.38Å
64L94.9Very high93.8Very high44 Ų4454.6 Ų54.623%0.2331%0.307CS..EExtended strand (participates in β ladder)trans-104.4-36.8179.4-58.3-177.5000111.5E27 A62 D70 V71 R97E27-L64 HydrophobicContact CG-CD1 4Å; A62-L64 HydrophobicContact CB-CD2 4.38Å; A62-L64 PolarHBondContact O-N 2.97Å; L64-D70 CarbonylContact O-C 3.57Å; L64-D70 WeakPolarHBondContact O-CA 3.26Å; L64-V71 PolarHBondContact O-N 3.08Å; L64-R97 PolarHBondContact N-O 3.3Å
65A95.8Very high94.1Very high0 Ų051.8 Ų51.80%030%0.297CS..EExtended strand (participates in β ladder)trans-150.9153.5179.500000111.5M69 I96 R97A65-M69 CarbonylContact C-O 3.48Å; A65-M69 WeakPolarHBondContact CA-O 3.41Å; A65-M69 VanDerWaalsContact CB-O 3.31Å; A65-M69 WeakPolarHBondContact CB-O 3.39Å; A65-I96 WeakPolarHBondContact O-CA 3.25Å; A65-R97 HydrophobicContact CB-CB 3.89Å; A65-R97 VanDerWaalsContact CB-CZ 3.48Å; A65-R97 PolarHBondContact N-O 3.36Å; A65-R97 PolarHBondContact O-N 3.25Å
66I96.5Very high94.3Very high7 Ų747.5 Ų47.54%0.03627%0.274CS..EExtended strand (participates in β ladder)trans-127.8126.9173.2-62.4177000108.1V63 G68 M69 V71 T76 V82 Y85 L86 V94 S95 I96V63-I66 HydrophobicContact CG1-CD1 4.22Å; V63-I66 HydrophobicContact CG1-CG1 3.91Å; I66-G68 PolarHBondContact O-N 2.89Å; I66-M69 PolarHBondContact N-O 3.22Å; I66-M69 PolarHBondContact O-N 3.05Å; I66-V71 HydrophobicContact CD1-CG1 4.01Å; I66-V71 HydrophobicContact CG1-CG1 3.86Å; I66-T76 HydrophobicContact CD1-CG2 4.2Å; I66-V82 HydrophobicContact CD1-CB 4.47Å; I66-V82 HydrophobicContact CD1-CG1 3.86Å; I66-V82 HydrophobicContact CD1-CG2 4.1Å; I66-Y85 HydrophobicContact CD1-CD1 4.46Å; I66-Y85 HydrophobicContact CG2-CD1 4.33Å; I66-Y85 HydrophobicContact CG2-CE1 3.77Å; I66-L86 HydrophobicContact CD1-CD2 4.49Å; I66-V94 HydrophobicContact CG2-CG2 3.49Å; I66-V94 VanDerWaalsContact CG2-CG2 3.49Å; I66-S95 CarbonylContact C-O 3.46Å; I66-S95 WeakPolarHBondContact CA-O 3.18Å; I66-I96 HydrophobicContact CG1-CG2 4.48Å
67N95.1Very high94.3Very high71 Ų7148 Ų4838%0.3827%0.273SS..THydrogen-bonded Turntrans51.539.9-176.6-64.7-31.6000113.1M69 Y85 S95N67-M69 PolarHBondContact O-N 3.31Å; N67-Y85 PolarHBondContact ND2-OH 2.84Å; N67-S95 PolarHBondContact N-O 2.88Å; N67-S95 PolarHBondContact OD1-N 2.83Å
68G93Very high94.1Very high42 Ų4253 Ų5343%0.43330%0.3SS..THydrogen-bonded Turntrans79.7-9.5-177.900000115.1I66 R97I66-G68 PolarHBondContact O-N 2.89Å; G68-R97 PolarHBondContact O-NH2 3.29Å
69M94.8Very high94Very high91 Ų9148.4 Ų48.445%0.44830%0.299SS..EExtended strand (participates in β ladder)trans-93.7125.4178.1-61.3-172-70.600111A65 I66 N67 A77A65-M69 CarbonylContact C-O 3.48Å; A65-M69 WeakPolarHBondContact CA-O 3.41Å; A65-M69 VanDerWaalsContact CB-O 3.31Å; A65-M69 WeakPolarHBondContact CB-O 3.39Å; I66-M69 PolarHBondContact N-O 3.22Å; I66-M69 PolarHBondContact O-N 3.05Å; N67-M69 PolarHBondContact O-N 3.31Å; M69-A77 HydrophobicContact CB-CB 3.98Å; M69-A77 HydrophobicContact SD-CB 4.19Å
70D94.6Very high93.9Very high106 Ų10650.8 Ų50.857%0.56730%0.303SS*.EExtended strand (participates in β ladder)trans-63.4139.3179.8-66-29.2000111.1L64 R97L64-D70 CarbonylContact O-C 3.57Å; L64-D70 WeakPolarHBondContact O-CA 3.26Å; D70-R97 IonicContact OD1-CZ 3.94Å; D70-R97 IonicContact OD1-NH1 3.44Å; D70-R97 PolarHBondContact OD1-NH1 3.48Å
71V94.8Very high94Very high24 Ų2452.5 Ų52.515%0.14530%0.302CS..PPolyproline II helixtrans-84.8148.9176.8-57.20000110.5V63 L64 I66 Y75 V82V63-V71 HydrophobicContact CG1-CG1 3.91Å; V63-V71 HydrophobicContact CG1-CG2 4.2Å; V63-V71 WeakPolarHBondContact O-CG2 3.39Å; L64-V71 PolarHBondContact O-N 3.08Å; I66-V71 HydrophobicContact CD1-CG1 4.01Å; I66-V71 HydrophobicContact CG1-CG1 3.86Å; V71-Y75 WeakPolarHBondContact CB-O 3.44Å; V71-V82 HydrophobicContact CB-CG2 4.33Å; V71-V82 HydrophobicContact CG1-CG2 4.03Å
72N92.8Very high94.1Very high124 Ų12452 Ų5266%0.66330%0.3SS*.BIsolated β-bridgetrans-103.787.7174-173.315000109.9K74 Y75N72-K74 PolarHBondContact O-N 3.01Å; N72-K74 VanDerWaalsContact O-N 3.07Å; N72-Y75 PolarHBondContact N-O 3.45Å; N72-Y75 PolarHBondContact O-N 2.92Å
73G90.6Very high94.1Very high30 Ų3055 Ų5531%0.30932%0.315SS..THydrogen-bonded Turntrans64.6-108.1-177.100000111.5E45E45-G73 CarbonylContact O-C 3.6Å; E45-G73 WeakPolarHBondContact O-CA 3.43Å
74K94.1Very high94Very high36 Ų3661 Ų6116%0.15734%0.342CS..THydrogen-bonded Turntrans-96.1-2.3177.771.5-175179.3-154.20114.4L42 E45 N72 V82L42-K74 HydrophobicContact CD1-CB 3.49Å; L42-K74 VanDerWaalsContact CD1-CB 3.49Å; L42-K74 HydrophobicContact CD1-CD 3.92Å; L42-K74 HydrophobicContact CD1-CG 4.36Å; L42-K74 HydrophobicContact CD2-CD 4.03Å; E45-K74 VanDerWaalsContact CD-NZ 3.28Å; E45-K74 PolarHBondContact O-N 2.8Å; E45-K74 IonicContact OE1-NZ 3.69Å; E45-K74 PolarHBondContact OE1-NZ 2.87Å; E45-K74 VanDerWaalsContact OE2-CD 3.28Å; E45-K74 WeakPolarHBondContact OE2-CD 3.46Å; E45-K74 WeakPolarHBondContact OE2-CE 3.45Å; E45-K74 IonicContact OE2-NZ 3.95Å; E45-K74 PolarHBondContact OE2-NZ 2.9Å; N72-K74 PolarHBondContact O-N 3.01Å; N72-K74 VanDerWaalsContact O-N 3.07Å; K74-V82 WeakPolarHBondContact O-CB 3.36Å; K74-V82 WeakPolarHBondContact O-CG2 3.47Å; K74-V82 PolarHBondContact O-N 2.78Å
75Y96.1Very high94.1Very high86 Ų8660.5 Ų60.534%0.33734%0.338SS..BIsolated β-bridgetrans-107.5146.4-178.3-58.8-80.5000111.6V71 N72 K80 E81V71-Y75 WeakPolarHBondContact CB-O 3.44Å; N72-Y75 PolarHBondContact N-O 3.45Å; N72-Y75 PolarHBondContact O-N 2.92Å; Y75-K80 CarbonylContact C-O 3.57Å; Y75-K80 VanDerWaalsContact CA-O 3.27Å; Y75-K80 WeakPolarHBondContact CA-O 3.43Å; Y75-E81 HydrophobicContact CD1-CG 4Å; Y75-E81 HydrophobicContact CE1-CG 3.67Å
76T93.8Very high94Very high10 Ų1060.9 Ų60.96%0.06134%0.34CS..  trans-70169.4167.967.20000110.4I66 D78 G79 K80 V82 Y85I66-T76 HydrophobicContact CD1-CG2 4.2Å; T76-D78 PolarHBondContact O-N 3.37Å; T76-D78 VanDerWaalsContact O-N 3.15Å; T76-D78 PolarHBondContact OG1-N 3.29Å; T76-G79 PolarHBondContact O-N 2.97Å; T76-K80 PolarHBondContact N-O 2.93Å; T76-K80 PolarHBondContact OG1-N 3.26Å; T76-K80 PolarHBondContact OG1-O 2.68Å; T76-V82 HydrophobicContact CG2-CG2 3.97Å; T76-Y85 HydrophobicContact CG2-CD2 4.49Å; T76-Y85 HydrophobicContact CG2-CG 4.13Å
77A91.4Very high94Very high60 Ų6062.6 Ų62.650%0.49636%0.359SS..THydrogen-bonded Turntrans-56.6-27.9173.400000112.9M69 G79M69-A77 HydrophobicContact CB-CB 3.98Å; M69-A77 HydrophobicContact SD-CB 4.19Å; A77-G79 VanDerWaalsContact C-N 3.3Å; A77-G79 PolarHBondContact O-N 3.17Å
78D89.6Confident94Very high109 Ų10962.8 Ų62.858%0.58336%0.36SS*.THydrogen-bonded Turntrans-864.9178-55.4-38.1000113.6T76 K80T76-D78 PolarHBondContact O-N 3.37Å; T76-D78 VanDerWaalsContact O-N 3.15Å; T76-D78 PolarHBondContact OG1-N 3.29Å; D78-K80 VanDerWaalsContact C-N 3.32Å; D78-K80 PolarHBondContact O-N 3.39Å
79G91.4Very high94.2Very high51 Ų5164.2 Ų64.253%0.52636%0.362SS..SBendtrans78.85.7178.400000115.6T76 A77T76-G79 PolarHBondContact O-N 2.97Å; A77-G79 VanDerWaalsContact C-N 3.3Å; A77-G79 PolarHBondContact O-N 3.17Å
80K93.3Very high94.3Very high121 Ų12163.8 Ų63.853%0.52637%0.373SS..  trans-80.7150.2173.2-64.4177.3-178.9170.60110.1Y75 T76 D78 V82Y75-K80 CarbonylContact C-O 3.57Å; Y75-K80 VanDerWaalsContact CA-O 3.27Å; Y75-K80 WeakPolarHBondContact CA-O 3.43Å; T76-K80 PolarHBondContact N-O 2.93Å; T76-K80 PolarHBondContact OG1-N 3.26Å; T76-K80 PolarHBondContact OG1-O 2.68Å; D78-K80 VanDerWaalsContact C-N 3.32Å; D78-K80 PolarHBondContact O-N 3.39Å; K80-V82 PolarHBondContact O-N 2.87Å
81E96.1Very high94.3Very high70 Ų7060.7 Ų60.733%0.32736%0.356SS..BIsolated β-bridgetrans-66.4135.2173.4-66-162173.800110.8Y75 L83 E84 Y85Y75-E81 HydrophobicContact CD1-CG 4Å; Y75-E81 HydrophobicContact CE1-CG 3.67Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 2.96Å; E81-E84 HydrophobicContact CB-CB 4.13Å; E81-E84 HydrophobicContact CB-CG 3.88Å; E81-E84 PolarHBondContact O-N 3.02Å; E81-Y85 WeakPolarHBondContact O-CB 3.42Å; E81-Y85 PolarHBondContact O-N 3.39Å
82V96Very high94.4Very high0 Ų061.2 Ų61.20%036%0.356CS..Hα-helixtrans-60.1-42.9-177.4164.80000111.1V47 V63 I66 V71 K74 T76 K80 Y85 L86V47-V82 HydrophobicContact CB-CG1 4.15Å; V47-V82 HydrophobicContact CG1-CG1 4.19Å; V47-V82 HydrophobicContact CG2-CB 3.88Å; V47-V82 HydrophobicContact CG2-CG1 3.88Å; V63-V82 HydrophobicContact CG1-CG1 4.5Å; I66-V82 HydrophobicContact CD1-CB 4.47Å; I66-V82 HydrophobicContact CD1-CG1 3.86Å; I66-V82 HydrophobicContact CD1-CG2 4.1Å; V71-V82 HydrophobicContact CB-CG2 4.33Å; V71-V82 HydrophobicContact CG1-CG2 4.03Å; K74-V82 WeakPolarHBondContact O-CB 3.36Å; K74-V82 WeakPolarHBondContact O-CG2 3.47Å; K74-V82 PolarHBondContact O-N 2.78Å; T76-V82 HydrophobicContact CG2-CG2 3.97Å; K80-V82 PolarHBondContact O-N 2.87Å; V82-Y85 PolarHBondContact O-N 2.8Å; V82-L86 HydrophobicContact CG1-CD1 3.74Å; V82-L86 HydrophobicContact CG1-CG 4.36Å; V82-L86 WeakPolarHBondContact O-CB 3.4Å; V82-L86 VanDerWaalsContact O-CG 3.26Å; V82-L86 WeakPolarHBondContact O-CG 3.33Å; V82-L86 PolarHBondContact O-N 2.87Å
83L95.4Very high94.5Very high67 Ų6759.9 Ų59.935%0.35135%0.354SS..Hα-helixtrans-67.3-37.9180-67.7178.6000112.1L40 L42 V47 E81 G87L40-L83 HydrophobicContact CB-CD2 3.85Å; L42-L83 HydrophobicContact CB-CD1 4.15Å; V47-L83 HydrophobicContact CG1-CD2 3.71Å; V47-L83 HydrophobicContact CG1-CG 4.33Å; V47-L83 HydrophobicContact CG2-CD2 4.42Å; V47-L83 HydrophobicContact CG2-CG 4.13Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 2.96Å; L83-G87 PolarHBondContact O-N 3.4Å
84E95.4Very high94.8Very high131 Ų13158.4 Ų58.461%0.61234%0.339SS*.Hα-helixtrans-66.2-44174.1-65.7-175.616000111.4E81 L86 G87 N88E81-E84 HydrophobicContact CB-CB 4.13Å; E81-E84 HydrophobicContact CB-CG 3.88Å; E81-E84 PolarHBondContact O-N 3.02Å; E84-L86 PolarHBondContact O-N 3.15Å; E84-G87 PolarHBondContact O-N 2.95Å; E84-N88 PolarHBondContact O-N 3.47Å
85Y95.5Very high95Very high34 Ų3457.7 Ų57.713%0.13334%0.338CS..Hα-helixtrans-59.5-45.9176.8-178.5-90.1000111.5I66 N67 T76 E81 V82 G87 N88 N91 V94I66-Y85 HydrophobicContact CD1-CD1 4.46Å; I66-Y85 HydrophobicContact CG2-CD1 4.33Å; I66-Y85 HydrophobicContact CG2-CE1 3.77Å; N67-Y85 PolarHBondContact ND2-OH 2.84Å; T76-Y85 HydrophobicContact CG2-CD2 4.49Å; T76-Y85 HydrophobicContact CG2-CG 4.13Å; E81-Y85 WeakPolarHBondContact O-CB 3.42Å; E81-Y85 PolarHBondContact O-N 3.39Å; V82-Y85 PolarHBondContact O-N 2.8Å; Y85-G87 VanDerWaalsContact C-N 3.31Å; Y85-G87 PolarHBondContact O-N 3.02Å; Y85-N88 PolarHBondContact O-N 2.87Å; Y85-N91 HydrophobicContact CD1-CB 4.49Å; Y85-N91 WeakPolarHBondContact CD2-ND2 3.21Å; Y85-N91 HydrophobicContact CE1-CB 3.98Å; Y85-N91 HydrophobicContact CE2-CB 4.14Å; Y85-N91 PolarHBondContact O-ND2 3.4Å; Y85-V94 HydrophobicContact CE1-CG2 4.12Å
86L95.1Very high95Very high9 Ų953.6 Ų53.65%0.04732%0.322CS..Hα-helixtrans-75-19.2178.9-65.7175.8000113.2L36 L40 I66 V82 E84 N88 Y92 V94 I96L36-L86 HydrophobicContact CD1-CB 4.21Å; L36-L86 HydrophobicContact CD1-CD1 4.16Å; L40-L86 HydrophobicContact CD1-CD1 3.52Å; I66-L86 HydrophobicContact CD1-CD2 4.49Å; V82-L86 HydrophobicContact CG1-CD1 3.74Å; V82-L86 HydrophobicContact CG1-CG 4.36Å; V82-L86 WeakPolarHBondContact O-CB 3.4Å; V82-L86 VanDerWaalsContact O-CG 3.26Å; V82-L86 WeakPolarHBondContact O-CG 3.33Å; V82-L86 PolarHBondContact O-N 2.87Å; E84-L86 PolarHBondContact O-N 3.15Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-Y92 VanDerWaalsContact O-CE2 3.29Å; L86-Y92 WeakPolarHBondContact O-CE2 3.27Å; L86-Y92 PolarHBondContact O-OH 3.46Å; L86-V94 HydrophobicContact CD2-CG1 4.08Å; L86-V94 HydrophobicContact CD2-CG2 4.25Å; L86-I96 HydrophobicContact CD1-CD1 4.12Å; L86-I96 HydrophobicContact CD2-CD1 3.68Å; L86-I96 HydrophobicContact CD2-CG1 4.41Å
87G95.3Very high95.1Very high43 Ų4355.4 Ų55.444%0.44333%0.328SS..Hα-helixtrans-74.1-20.7173.800000113.9L83 E84 Y85 P89L83-G87 PolarHBondContact O-N 3.4Å; E84-G87 PolarHBondContact O-N 2.95Å; Y85-G87 VanDerWaalsContact C-N 3.31Å; Y85-G87 PolarHBondContact O-N 3.02Å; G87-P89 WeakPolarHBondContact O-CD 3.19Å
88N95.9Very high95.3Very high74 Ų7452.6 Ų52.640%0.39631%0.305SS..  trans-88.5116.1-178.6-176.9-5.3000111.8E84 Y85 L86 A90 N91 Y92E84-N88 PolarHBondContact O-N 3.47Å; Y85-N88 PolarHBondContact O-N 2.87Å; L86-N88 VanDerWaalsContact C-N 3.32Å; N88-A90 PolarHBondContact O-N 3.01Å; N88-A90 WeakPolarHBondContact OD1-CB 3.2Å; N88-A90 PolarHBondContact OD1-N 3.29Å; N88-N91 PolarHBondContact O-N 3.22Å; N88-Y92 WeakPolarHBondContact O-CD2 3.38Å
89P96.3Very high95.5Very high72 Ų7247.5 Ų47.547%0.46828%0.278SS..G310 helixtrans-63.4-22.7-178.926-35.1000114Y34 G87 N91 Y92Y34-P89 HydrophobicContact CD1-CB 3.93Å; Y34-P89 HydrophobicContact CD2-CB 3.94Å; Y34-P89 HydrophobicContact CE1-CB 4.17Å; Y34-P89 HydrophobicContact CE2-CB 4.17Å; Y34-P89 HydrophobicContact CG-CB 3.8Å; G87-P89 WeakPolarHBondContact O-CD 3.19Å; P89-N91 PolarHBondContact O-N 3.35Å; P89-Y92 PolarHBondContact O-N 3Å
90A96.8Very high95.5Very high83 Ų8351.7 Ų51.769%0.68628%0.278SS*.G310 helixtrans-68.9-16.1178.800000113.7N88 Y92N88-A90 PolarHBondContact O-N 3.01Å; N88-A90 WeakPolarHBondContact OD1-CB 3.2Å; N88-A90 PolarHBondContact OD1-N 3.29Å; A90-Y92 VanDerWaalsContact C-N 3.29Å
91N95Very high95.3Very high41 Ų4147.7 Ų47.722%0.21926%0.264CS..G310 helixtrans-86.30.4179.1-66.4-28.3000113.2Y85 N88 P89Y85-N91 HydrophobicContact CD1-CB 4.49Å; Y85-N91 WeakPolarHBondContact CD2-ND2 3.21Å; Y85-N91 HydrophobicContact CE1-CB 3.98Å; Y85-N91 HydrophobicContact CE2-CB 4.14Å; Y85-N91 PolarHBondContact O-ND2 3.4Å; N88-N91 PolarHBondContact O-N 3.22Å; P89-N91 PolarHBondContact O-N 3.35Å
92Y96.4Very high95Very high34 Ų3451.9 Ų51.913%0.13328%0.277CS..  trans-97.9148.5-179.1-71-100.7000111.3F32 Y34 L36 L86 N88 P89 A90 V94F32-Y92 HydrophobicContact CB-CE1 4.38Å; F32-Y92 WeakPolarHBondContact O-CD1 3.45Å; Y34-Y92 AromaticContact CD2-CD2 3.92Å; Y34-Y92 HydrophobicContact CD2-CD2 3.92Å; Y34-Y92 AromaticContact CD2-CE2 3.59Å; Y34-Y92 HydrophobicContact CD2-CE2 3.59Å; Y34-Y92 HydrophobicContact CE2-CE2 4.49Å; Y34-Y92 HydrophobicContact CG-CD2 4.36Å; Y34-Y92 HydrophobicContact CG-CE2 4.41Å; Y34-Y92 VanDerWaalsContact N-CD1 3.34Å; L36-Y92 HydrophobicContact CD2-CE1 3.75Å; L36-Y92 HydrophobicContact CG-CE1 4.25Å; L36-Y92 VanDerWaalsContact CG-OH 3.24Å; L36-Y92 WeakPolarHBondContact CG-OH 3.35Å; L86-Y92 VanDerWaalsContact O-CE2 3.29Å; L86-Y92 WeakPolarHBondContact O-CE2 3.27Å; L86-Y92 PolarHBondContact O-OH 3.46Å; N88-Y92 WeakPolarHBondContact O-CD2 3.38Å; P89-Y92 PolarHBondContact O-N 3Å; A90-Y92 VanDerWaalsContact C-N 3.29Å; Y92-V94 HydrophobicContact CD1-CB 4.4Å; Y92-V94 HydrophobicContact CD1-CG1 3.61Å; Y92-V94 HydrophobicContact CE1-CG1 3.4Å; Y92-V94 HydrophobicContact CG-CG1 4.38Å
93P96.3Very high94.7Very high96 Ų9655.2 Ų55.262%0.62330%0.295SS*.SBendcis-72.51472.230.1-35.3000113.5T31 F32T31-P93 HydrophobicContact CG2-CB 3.97Å; F32-P93 WeakPolarHBondContact O-CA 3.38Å
94V96.5Very high94.6Very high0 Ų054.9 Ų54.90%030%0.295CS..EExtended strand (participates in β ladder)trans-127.7131-175.565.50000111T31 F32 I66 Y85 L86 Y92 I96T31-V94 CarbonylContact C-O 3.47Å; T31-V94 WeakPolarHBondContact CA-O 3.43Å; F32-V94 HydrophobicContact CB-CG1 4.23Å; F32-V94 PolarHBondContact N-O 3.2Å; F32-V94 PolarHBondContact O-N 3.33Å; I66-V94 HydrophobicContact CG2-CG2 3.49Å; I66-V94 VanDerWaalsContact CG2-CG2 3.49Å; Y85-V94 HydrophobicContact CE1-CG2 4.12Å; L86-V94 HydrophobicContact CD2-CG1 4.08Å; L86-V94 HydrophobicContact CD2-CG2 4.25Å; Y92-V94 HydrophobicContact CD1-CB 4.4Å; Y92-V94 HydrophobicContact CD1-CG1 3.61Å; Y92-V94 HydrophobicContact CE1-CG1 3.4Å; Y92-V94 HydrophobicContact CG-CG1 4.38Å; V94-I96 HydrophobicContact CG1-CD1 4.05Å; V94-I96 HydrophobicContact CG1-CG1 4.11Å; V94-I96 HydrophobicContact CG2-CG1 4.11Å
95S96.8Very high94.4Very high20 Ų2053 Ų5314%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-85.3130.5169.1-1660000109.8E29 K30 I66 N67E29-S95 WeakPolarHBondContact CG-OG 3.37Å; E29-S95 PolarHBondContact OE1-OG 2.82Å; K30-S95 CarbonylContact O-C 3.6Å; K30-S95 WeakPolarHBondContact O-CA 3.31Å; I66-S95 CarbonylContact C-O 3.46Å; I66-S95 WeakPolarHBondContact CA-O 3.18Å; N67-S95 PolarHBondContact N-O 2.88Å; N67-S95 PolarHBondContact OD1-N 2.83Å
96I96.5Very high94.2Very high0 Ų057.2 Ų57.20%032%0.322CS..EExtended strand (participates in β ladder)trans-129.5128.1177.7-48.1174.2000109E29 K30 F32 L36 V63 A65 I66 L86 V94 F98E29-I96 WeakPolarHBondContact CA-O 3.27Å; K30-I96 PolarHBondContact N-O 2.97Å; K30-I96 VanDerWaalsContact N-O 3.07Å; K30-I96 PolarHBondContact O-N 3.22Å; F32-I96 HydrophobicContact CD2-CB 4.17Å; F32-I96 HydrophobicContact CD2-CD1 3.89Å; F32-I96 HydrophobicContact CD2-CG1 3.96Å; F32-I96 HydrophobicContact CE2-CB 3.96Å; F32-I96 HydrophobicContact CE2-CD1 4.26Å; F32-I96 HydrophobicContact CE2-CG1 4.26Å; L36-I96 HydrophobicContact CD2-CD1 4.08Å; V63-I96 HydrophobicContact CG1-CG2 3.82Å; V63-I96 HydrophobicContact CG2-CG2 4.2Å; A65-I96 WeakPolarHBondContact O-CA 3.25Å; I66-I96 HydrophobicContact CG1-CG2 4.48Å; L86-I96 HydrophobicContact CD1-CD1 4.12Å; L86-I96 HydrophobicContact CD2-CD1 3.68Å; L86-I96 HydrophobicContact CD2-CG1 4.41Å; V94-I96 HydrophobicContact CG1-CD1 4.05Å; V94-I96 HydrophobicContact CG1-CG1 4.11Å; V94-I96 HydrophobicContact CG2-CG1 4.11Å; I96-F98 HydrophobicContact CB-CD2 4.32Å; I96-F98 HydrophobicContact CB-CE2 3.6Å; I96-F98 HydrophobicContact CB-CZ 3.99Å; I96-F98 HydrophobicContact CD1-CZ 4.3Å; I96-F98 HydrophobicContact CG2-CD2 3.99Å; I96-F98 HydrophobicContact CG2-CE1 4.02Å; I96-F98 HydrophobicContact CG2-CE2 3.41Å; I96-F98 VanDerWaalsContact CG2-CE2 3.41Å; I96-F98 HydrophobicContact CG2-CZ 3.43Å; I96-F98 VanDerWaalsContact CG2-CZ 3.43Å
97R95.8Very high94.2Very high48 Ų4858.8 Ų58.818%0.18133%0.328CS..EExtended strand (participates in β ladder)trans-97.4125.4173.6-162.1-175-43.4136.212.7109.5E27 A28 E29 L64 A65 G68 D70E27-R97 WeakPolarHBondContact OE2-CD 3.47Å; A28-R97 WeakPolarHBondContact O-CA 2.96Å; E29-R97 HydrophobicContact CB-CB 4.34Å; E29-R97 HydrophobicContact CB-CG 4.13Å; E29-R97 HydrophobicContact CG-CB 4.23Å; E29-R97 IonicContact OE2-CZ 2.66Å; E29-R97 IonicContact OE2-NE 3.4Å; E29-R97 PolarHBondContact OE2-NE 2.87Å; E29-R97 IonicContact OE2-NH2 3.9Å; L64-R97 PolarHBondContact N-O 3.3Å; A65-R97 HydrophobicContact CB-CB 3.89Å; A65-R97 VanDerWaalsContact CB-CZ 3.48Å; A65-R97 PolarHBondContact N-O 3.36Å; A65-R97 PolarHBondContact O-N 3.25Å; G68-R97 PolarHBondContact O-NH2 3.29Å; D70-R97 IonicContact OD1-CZ 3.94Å; D70-R97 IonicContact OD1-NH1 3.44Å; D70-R97 PolarHBondContact OD1-NH1 3.48Å
98F95.7Very high94.2Very high2 Ų257.7 Ų57.71%0.00931%0.312CS..EExtended strand (participates in β ladder)trans-116147.3179.3-65.2-88.2000111.3E27 A28 F32 L38 L40 V49 I57 H61 A62 V63 I96E27-F98 WeakPolarHBondContact CA-O 3.3Å; A28-F98 PolarHBondContact N-O 2.89Å; A28-F98 PolarHBondContact O-N 3.16Å; F32-F98 AromaticContact CE2-CE2 3.75Å; F32-F98 HydrophobicContact CE2-CE2 3.75Å; F32-F98 AromaticContact CZ-CE2 3.79Å; F32-F98 HydrophobicContact CZ-CE2 3.79Å; L38-F98 HydrophobicContact CD1-CE2 4.15Å; L38-F98 HydrophobicContact CD1-CZ 3.94Å; L40-F98 HydrophobicContact CD2-CE1 3.99Å; L40-F98 HydrophobicContact CD2-CZ 4.43Å; V49-F98 HydrophobicContact CG2-CD1 3.66Å; V49-F98 HydrophobicContact CG2-CE1 3.61Å; I57-F98 HydrophobicContact CD1-CD2 3.56Å; I57-F98 HydrophobicContact CD1-CE2 3.8Å; I57-F98 HydrophobicContact CD1-CG 4.39Å; I57-F98 HydrophobicContact CG1-CB 4.24Å; I57-F98 HydrophobicContact CG1-CD2 3.83Å; I57-F98 HydrophobicContact CG1-CG 4.24Å; I57-F98 HydrophobicContact CG2-CB 4.15Å; I57-F98 HydrophobicContact CG2-CD1 4.25Å; I57-F98 HydrophobicContact CG2-CD2 4.15Å; I57-F98 HydrophobicContact CG2-CG 3.94Å; H61-F98 HydrophobicContact CB-CB 4.13Å; A62-F98 VanDerWaalsContact O-CA 3.29Å; A62-F98 WeakPolarHBondContact O-CA 3.49Å; V63-F98 HydrophobicContact CG2-CD1 4.17Å; V63-F98 HydrophobicContact CG2-CE1 3.64Å; V63-F98 HydrophobicContact CG2-CZ 4.38Å; I96-F98 HydrophobicContact CB-CD2 4.32Å; I96-F98 HydrophobicContact CB-CE2 3.6Å; I96-F98 HydrophobicContact CB-CZ 3.99Å; I96-F98 HydrophobicContact CD1-CZ 4.3Å; I96-F98 HydrophobicContact CG2-CD2 3.99Å; I96-F98 HydrophobicContact CG2-CE1 4.02Å; I96-F98 HydrophobicContact CG2-CE2 3.41Å; I96-F98 VanDerWaalsContact CG2-CE2 3.41Å; I96-F98 HydrophobicContact CG2-CZ 3.43Å; I96-F98 VanDerWaalsContact CG2-CZ 3.43Å
99G93.8Very high94.1Very high1 Ų157.9 Ų57.91%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-168.5174.6171.700000113.3H61 A62H61-G99 CarbonylContact C-O 3.28Å; H61-G99 WeakPolarHBondContact CA-O 3.49Å; A62-G99 PolarHBondContact N-O 3.44Å; A62-G99 PolarHBondContact O-N 3.09Å
100R91.1Very high94Very high139 Ų13960 Ų6053%0.52532%0.317SS..PPolyproline II helixtrans-66.3124176.7-71.8-177.2178.5-178.8-3110.1R25R25-R100 PolarHBondContact NH1-O 3Å
101P90.7Very high94Very high38 Ų3859 Ų5925%0.24730%0.3CS..PPolyproline II helixtrans-61.6147.4-17925.1-33.1000111.6R25 L48 A62R25-P101 VanDerWaalsContact NH1-C 3.29Å; R25-P101 PolarHBondContact NH1-O 3.38Å; L48-P101 HydrophobicContact CD2-CG 4.49Å; A62-P101 HydrophobicContact CB-CB 3.99Å; A62-P101 HydrophobicContact CB-CG 4.38Å
102R88Confident94Very high157 Ų15757.3 Ų57.359%0.59229%0.292SS*.PPolyproline II helixtrans-82137.8175.9-65.6-175.4-177.9-170.81.3109.7R46 T104R46-R102 VanDerWaalsContact CZ-O 3.26Å; R46-R102 PolarHBondContact NH1-O 3.37Å; R46-R102 VanDerWaalsContact NH1-O 3.09Å; R46-R102 PolarHBondContact NH2-O 2.84Å; R102-T104 PolarHBondContact O-N 2.9Å
103L90.8Very high94Very high71 Ų7158.3 Ų58.337%0.37230%0.304SS..PPolyproline II helixtrans-68.2128.6174-63.6174.1000109.6E107 K108 L111L103-E107 WeakPolarHBondContact CA-OE2 3.24Å; L103-E107 HydrophobicContact CB-CB 4.48Å; L103-E107 HydrophobicContact CD2-CB 4.17Å; L103-K108 HydrophobicContact CB-CG 3.94Å; L103-K108 HydrophobicContact CD1-CG 4.42Å; L103-L111 HydrophobicContact CD1-CD1 3.77Å; L103-L111 HydrophobicContact CD2-CD1 4.15Å
104T92.2Very high94Very high60 Ų6058.5 Ų58.537%0.36830%0.298SS..PPolyproline II helixtrans-71.1162.716963.90000110.4R102 N106 E107 K108R102-T104 PolarHBondContact O-N 2.9Å; T104-N106 PolarHBondContact O-N 3.43Å; T104-E107 WeakPolarHBondContact CB-OE2 3.26Å; T104-E107 WeakPolarHBondContact CG2-OE2 3.44Å; T104-E107 PolarHBondContact N-OE2 3.48Å; T104-E107 PolarHBondContact O-N 3.31Å; T104-E107 WeakPolarHBondContact OG1-CB 3.46Å; T104-E107 VanDerWaalsContact OG1-CG 3.26Å; T104-E107 WeakPolarHBondContact OG1-CG 3.48Å; T104-E107 PolarHBondContact OG1-N 3.36Å; T104-E107 VanDerWaalsContact OG1-N 3.16Å; T104-E107 PolarHBondContact OG1-OE2 3.36Å; T104-K108 WeakPolarHBondContact O-CG 3.46Å; T104-K108 PolarHBondContact O-N 3.39Å
105S91.4Very high94.1Very high91 Ų9159.4 Ų59.464%0.63630%0.302SS*.Hα-helixtrans-57.6-37.1175.3-53.30000112.5K108 L109S105-K108 PolarHBondContact O-N 3.11Å; S105-L109 WeakPolarHBondContact O-CG 3.26Å; S105-L109 PolarHBondContact O-N 2.9Å
106N92.9Very high94Very high123 Ų12360.7 Ų60.766%0.65831%0.305SS*.Hα-helixtrans-70.8-41.5178.8-68.6-14.9000112T104 K108 L109 M110T104-N106 PolarHBondContact O-N 3.43Å; N106-K108 VanDerWaalsContact C-N 3.28Å; N106-K108 PolarHBondContact O-N 3.33Å; N106-L109 PolarHBondContact O-N 2.97Å; N106-M110 WeakPolarHBondContact O-CB 3.39Å; N106-M110 PolarHBondContact O-N 2.75Å
107E93.9Very high94Very high41 Ų4163.8 Ų63.819%0.19233%0.327CS..Hα-helixtrans-60.7-39.9173.7-72.9166134.300110.8R46 L103 T104 M110 L111R46-E107 IonicContact NH1-OE1 3.91Å; R46-E107 PolarHBondContact NH1-OE1 2.81Å; R46-E107 IonicContact NH1-OE2 3.51Å; R46-E107 PolarHBondContact NH1-OE2 2.96Å; R46-E107 IonicContact NH2-OE2 2.7Å; L103-E107 WeakPolarHBondContact CA-OE2 3.24Å; L103-E107 HydrophobicContact CB-CB 4.48Å; L103-E107 HydrophobicContact CD2-CB 4.17Å; T104-E107 WeakPolarHBondContact CB-OE2 3.26Å; T104-E107 WeakPolarHBondContact CG2-OE2 3.44Å; T104-E107 PolarHBondContact N-OE2 3.48Å; T104-E107 PolarHBondContact O-N 3.31Å; T104-E107 WeakPolarHBondContact OG1-CB 3.46Å; T104-E107 VanDerWaalsContact OG1-CG 3.26Å; T104-E107 WeakPolarHBondContact OG1-CG 3.48Å; T104-E107 PolarHBondContact OG1-N 3.36Å; T104-E107 VanDerWaalsContact OG1-N 3.16Å; T104-E107 PolarHBondContact OG1-OE2 3.36Å; E107-M110 PolarHBondContact O-N 3.2Å; E107-L111 WeakPolarHBondContact O-CB 3.36Å; E107-L111 WeakPolarHBondContact O-CG 3.4Å; E107-L111 PolarHBondContact O-N 2.93Å
108K95Very high94.1Very high21 Ų2165.1 Ų65.19%0.09134%0.337CS..Hα-helixtrans-64.4-43.8175.8-70.5174.7174.5-173.70112.7Y7 L15 Q18 D20 L103 T104 S105 N106 M110 L111 A112Y7-K108 HydrophobicContact CE1-CB 4.26Å; Y7-K108 HydrophobicContact CE1-CG 4.28Å; L15-K108 HydrophobicContact CD2-CB 3.98Å; Q18-K108 HydrophobicContact CG-CD 4.11Å; D20-K108 IonicContact OD1-NZ 3.84Å; D20-K108 IonicContact OD2-NZ 2.78Å; D20-K108 PolarHBondContact OD2-NZ 2.89Å; L103-K108 HydrophobicContact CB-CG 3.94Å; L103-K108 HydrophobicContact CD1-CG 4.42Å; T104-K108 WeakPolarHBondContact O-CG 3.46Å; T104-K108 PolarHBondContact O-N 3.39Å; S105-K108 PolarHBondContact O-N 3.11Å; N106-K108 VanDerWaalsContact C-N 3.28Å; N106-K108 PolarHBondContact O-N 3.33Å; K108-M110 VanDerWaalsContact C-N 3.34Å; K108-L111 PolarHBondContact O-N 3.24Å; K108-A112 WeakPolarHBondContact O-CB 3.48Å; K108-A112 PolarHBondContact O-N 2.78Å
109L94.1Very high94.2Very high77 Ų7765.8 Ų65.840%0.40334%0.34SS..Hα-helixtrans-59.2-46.7174-77.1163.3000111.2L15 S105 N106 A112 S113L15-L109 HydrophobicContact CB-CD2 3.7Å; S105-L109 WeakPolarHBondContact O-CG 3.26Å; S105-L109 PolarHBondContact O-N 2.9Å; N106-L109 PolarHBondContact O-N 2.97Å; L109-A112 PolarHBondContact O-N 3.29Å; L109-S113 PolarHBondContact O-N 2.78Å; L109-S113 VanDerWaalsContact O-N 3.09Å; L109-S113 PolarHBondContact O-OG 3.45Å
110M95.4Very high94.3Very high116 Ų11668 Ų6857%0.57136%0.358SS*.Hα-helixtrans-60.2-47.7177.4-178.3-174.271.900111.5N106 E107 K108 A112 S113 M114N106-M110 WeakPolarHBondContact O-CB 3.39Å; N106-M110 PolarHBondContact O-N 2.75Å; E107-M110 PolarHBondContact O-N 3.2Å; K108-M110 VanDerWaalsContact C-N 3.34Å; M110-A112 VanDerWaalsContact C-N 3.34Å; M110-A112 PolarHBondContact O-N 2.83Å; M110-S113 PolarHBondContact O-N 2.88Å; M110-M114 WeakPolarHBondContact O-CB 3.3Å; M110-M114 PolarHBondContact O-N 2.85Å
111L96.3Very high94.5Very high64 Ų6465.2 Ų65.234%0.33535%0.353SS..Hα-helixtrans-62.3-39.5179.3-72.5170.3000112.3L103 E107 K108 M114 F115L103-L111 HydrophobicContact CD1-CD1 3.77Å; L103-L111 HydrophobicContact CD2-CD1 4.15Å; E107-L111 WeakPolarHBondContact O-CB 3.36Å; E107-L111 WeakPolarHBondContact O-CG 3.4Å; E107-L111 PolarHBondContact O-N 2.93Å; K108-L111 PolarHBondContact O-N 3.24Å; L111-M114 HydrophobicContact CD2-CE 4.21Å; L111-M114 PolarHBondContact O-N 2.91Å; L111-F115 WeakPolarHBondContact O-CB 3.37Å; L111-F115 PolarHBondContact O-N 3.22Å
112A95.4Very high94.8Very high5 Ų564.9 Ų64.94%0.04136%0.357CS..Hα-helixtrans-62.3-46.1175.300000112.1V9 L15 K108 L109 M110 M114 F115 H116V9-A112 HydrophobicContact CG1-CB 4.5Å; V9-A112 HydrophobicContact CG2-CB 3.94Å; L15-A112 HydrophobicContact CB-CB 3.93Å; L15-A112 HydrophobicContact CD1-CB 4.12Å; L15-A112 HydrophobicContact CG-CB 4.45Å; K108-A112 WeakPolarHBondContact O-CB 3.48Å; K108-A112 PolarHBondContact O-N 2.78Å; L109-A112 PolarHBondContact O-N 3.29Å; M110-A112 VanDerWaalsContact C-N 3.34Å; M110-A112 PolarHBondContact O-N 2.83Å; A112-M114 VanDerWaalsContact C-N 3.33Å; A112-M114 PolarHBondContact O-N 2.86Å; A112-F115 PolarHBondContact O-N 2.99Å; A112-H116 PolarHBondContact O-N 3.4Å
113S95.4Very high95.2Very high55 Ų5559.7 Ų59.739%0.38534%0.344SS..Hα-helixtrans-64.2-37.7175.8-61.70000112.4G13 L109 M110 H116 S117G13-S113 PolarHBondContact O-OG 3.34Å; L109-S113 PolarHBondContact O-N 2.78Å; L109-S113 VanDerWaalsContact O-N 3.09Å; L109-S113 PolarHBondContact O-OG 3.45Å; M110-S113 PolarHBondContact O-N 2.88Å; S113-H116 WeakPolarHBondContact O-CB 3.27Å; S113-H116 PolarHBondContact O-N 2.81Å; S113-S117 PolarHBondContact O-N 3.33Å; S113-S117 PolarHBondContact O-OG 3.05Å
114M96.8Very high95.4Very high100 Ų10064.1 Ų64.149%0.49336%0.363SS..Hα-helixtrans-66.5-44.8177.5-157175.778.200110.8M110 L111 A112 H116 S117 L118M110-M114 WeakPolarHBondContact O-CB 3.3Å; M110-M114 PolarHBondContact O-N 2.85Å; L111-M114 HydrophobicContact CD2-CE 4.21Å; L111-M114 PolarHBondContact O-N 2.91Å; A112-M114 VanDerWaalsContact C-N 3.33Å; A112-M114 PolarHBondContact O-N 2.86Å; M114-H116 VanDerWaalsContact C-N 3.31Å; M114-H116 PolarHBondContact O-N 3.43Å; M114-S117 PolarHBondContact O-N 2.78Å; M114-L118 WeakPolarHBondContact O-CG 3.22Å; M114-L118 PolarHBondContact O-N 3.41Å
115F97.3Very high95.7Very high19 Ų1967.7 Ų67.78%0.08338%0.379CS..Hα-helixtrans-60.9-39.2173.8-179.8-102.7000112.2L111 A112 S117 L118 F119 I134 L144 C146 K154 V156L111-F115 WeakPolarHBondContact O-CB 3.37Å; L111-F115 PolarHBondContact O-N 3.22Å; A112-F115 PolarHBondContact O-N 2.99Å; F115-S117 VanDerWaalsContact C-N 3.28Å; F115-S117 PolarHBondContact O-N 3.49Å; F115-L118 PolarHBondContact O-N 2.78Å; F115-F119 HydrophobicContact CE1-CD2 4.49Å; F115-F119 HydrophobicContact CZ-CD2 4.39Å; F115-F119 VanDerWaalsContact O-CB 3.31Å; F115-F119 WeakPolarHBondContact O-CB 3.42Å; F115-F119 PolarHBondContact O-N 3.31Å; F115-I134 HydrophobicContact CE2-CB 4.43Å; F115-I134 HydrophobicContact CE2-CG2 4.29Å; F115-L144 HydrophobicContact CD2-CD1 4.05Å; F115-L144 HydrophobicContact CD2-CD2 4.5Å; F115-L144 HydrophobicContact CE2-CD1 3.97Å; F115-L144 HydrophobicContact CE2-CD2 3.65Å; F115-L144 HydrophobicContact CZ-CD2 3.77Å; F115-C146 HydrophobicContact CE1-CB 4.06Å; F115-C146 HydrophobicContact CZ-CB 3.68Å; F115-K154 HydrophobicContact CE1-CD 4.37Å; F115-V156 HydrophobicContact CD1-CG2 4.02Å; F115-V156 HydrophobicContact CE1-CG2 3.64Å; F115-V156 HydrophobicContact CZ-CG2 4.39Å
116H95.7Very high95.9Very high47 Ų4765 Ų6522%0.21836%0.36CS..Hα-helixtrans-56.1-43.8175.3179.594000112.2K11 G13 A112 S113 M114 A120 K154K11-H116 PolarHBondContact O-CE1 3.3Å; G13-H116 VanDerWaalsContact CA-CG 3.49Å; G13-H116 WeakPolarHBondContact CA-ND1 3.37Å; G13-H116 PolarHBondContact N-ND1 2.88Å; A112-H116 PolarHBondContact O-N 3.4Å; S113-H116 WeakPolarHBondContact O-CB 3.27Å; S113-H116 PolarHBondContact O-N 2.81Å; M114-H116 VanDerWaalsContact C-N 3.31Å; M114-H116 PolarHBondContact O-N 3.43Å; H116-A120 PolarHBondContact O-N 3.32Å; H116-K154 PolarHBondContact CE1-NZ 3.37Å; H116-K154 PolarHBondContact ND1-NZ 3Å; H116-K154 VanDerWaalsContact ND1-NZ 3.11Å
117S96.9Very high96.1Very high64 Ų6465 Ų6545%0.44837%0.367SS..Hα-helixtrans-68.6-45.4178.1-55.40000111.5S113 M114 F115 F119 A120 I121S113-S117 PolarHBondContact O-N 3.33Å; S113-S117 PolarHBondContact O-OG 3.05Å; M114-S117 PolarHBondContact O-N 2.78Å; F115-S117 VanDerWaalsContact C-N 3.28Å; F115-S117 PolarHBondContact O-N 3.49Å; S117-F119 VanDerWaalsContact C-N 3.3Å; S117-F119 PolarHBondContact O-N 2.88Å; S117-A120 PolarHBondContact O-N 2.89Å; S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.25Å; S117-I121 PolarHBondContact O-N 2.9Å
118L97.4Very high96.2Very high77 Ų7769.9 Ų69.940%0.40339%0.389SS..Hα-helixtrans-59.9-40.2177-70.7172.2000112.3M114 F115 A120 I121 G122 I134M114-L118 WeakPolarHBondContact O-CG 3.22Å; M114-L118 PolarHBondContact O-N 3.41Å; F115-L118 PolarHBondContact O-N 2.78Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.79Å; L118-I121 PolarHBondContact O-N 3.15Å; L118-G122 PolarHBondContact O-N 3.12Å; L118-I134 HydrophobicContact CB-CD1 4.04Å; L118-I134 WeakPolarHBondContact O-CD1 2.83Å
119F97.2Very high96.2Very high15 Ų1578.1 Ų78.17%0.06643%0.428CS..Hα-helixtrans-57.5-46.7175.8178-84.4000111.7F115 S117 G122 S123 G133 I134 Q148 K154F115-F119 HydrophobicContact CE1-CD2 4.49Å; F115-F119 HydrophobicContact CZ-CD2 4.39Å; F115-F119 VanDerWaalsContact O-CB 3.31Å; F115-F119 WeakPolarHBondContact O-CB 3.42Å; F115-F119 PolarHBondContact O-N 3.31Å; S117-F119 VanDerWaalsContact C-N 3.3Å; S117-F119 PolarHBondContact O-N 2.88Å; F119-G122 PolarHBondContact O-N 3.19Å; F119-S123 PolarHBondContact O-N 3.07Å; F119-G133 VanDerWaalsContact CZ-CA 3.49Å; F119-G133 WeakPolarHBondContact O-CA 3.45Å; F119-I134 HydrophobicContact CD2-CB 4.33Å; F119-I134 VanDerWaalsContact CD2-N 3.3Å; F119-I134 VanDerWaalsContact CD2-O 3.31Å; F119-I134 WeakPolarHBondContact CD2-O 3.47Å; F119-I134 WeakPolarHBondContact CE2-O 3.48Å; F119-Q148 HydrophobicContact CZ-CB 4.07Å; F119-Q148 HydrophobicContact CZ-CG 4.44Å; F119-K154 HydrophobicContact CD1-CD 4.49Å; F119-K154 HydrophobicContact CD2-CD 4.32Å; F119-K154 HydrophobicContact CG-CD 4.26Å
120A95.6Very high96.1Very high48 Ų4878.7 Ų78.740%0.39745%0.452SS..Hα-helixtrans-68.9-42.1179.800000112H116 S117 L118 G122 S123 Q124H116-A120 PolarHBondContact O-N 3.32Å; S117-A120 PolarHBondContact O-N 2.89Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.79Å; A120-G122 VanDerWaalsContact C-N 3.31Å; A120-G122 PolarHBondContact O-N 3.02Å; A120-S123 PolarHBondContact O-N 3.35Å; A120-Q124 WeakPolarHBondContact O-CB 3.18Å; A120-Q124 PolarHBondContact O-N 3.49Å
121I97.1Very high96Very high81 Ų8175.2 Ų75.242%0.41544%0.44SS..Hα-helixtrans-59.7-43.4175.7-68.2165.7000110.5S117 L118 S123 Q124 L125S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.25Å; S117-I121 PolarHBondContact O-N 2.9Å; L118-I121 PolarHBondContact O-N 3.15Å; I121-S123 VanDerWaalsContact C-N 3.31Å; I121-S123 PolarHBondContact O-N 2.62Å; I121-Q124 PolarHBondContact O-N 3.09Å; I121-L125 HydrophobicContact CG2-CD1 3.52Å; I121-L125 HydrophobicContact CG2-CG 4.04Å; I121-L125 WeakPolarHBondContact O-CB 3.26Å; I121-L125 WeakPolarHBondContact O-CG 3.13Å; I121-L125 PolarHBondContact O-N 3Å
122G96.4Very high95.9Very high31 Ų3174.7 Ų74.732%0.3244%0.441SS..Hα-helixtrans-59.2-39.6177.600000113.2L118 F119 A120 S126L118-G122 PolarHBondContact O-N 3.12Å; F119-G122 PolarHBondContact O-N 3.19Å; A120-G122 VanDerWaalsContact C-N 3.31Å; A120-G122 PolarHBondContact O-N 3.02Å; G122-S126 PolarHBondContact O-N 3.21Å
123S95.6Very high95.9Very high47 Ų4774.9 Ų74.933%0.32944%0.444SS..Hα-helixtrans-70.6-44.3174.5-1780000111.9F119 A120 I121 L125 S126 S131 S132F119-S123 PolarHBondContact O-N 3.07Å; A120-S123 PolarHBondContact O-N 3.35Å; I121-S123 VanDerWaalsContact C-N 3.31Å; I121-S123 PolarHBondContact O-N 2.62Å; S123-L125 PolarHBondContact O-N 2.64Å; S123-S126 VanDerWaalsContact O-CB 3.25Å; S123-S126 WeakPolarHBondContact O-CB 3.24Å; S123-S126 PolarHBondContact O-N 3.11Å; S123-S131 PolarHBondContact OG-O 2.86Å; S123-S131 VanDerWaalsContact OG-O 3.08Å; S123-S132 WeakPolarHBondContact CA-O 3.29Å; S123-S132 WeakPolarHBondContact CB-O 3.25Å
124Q96.2Very high96Very high165 Ų16574.1 Ų74.177%0.77144%0.435SS*.Hα-helixtrans-68.2-35.4-176.8-175.4177.3-2.200113.3A120 I121 S126A120-Q124 WeakPolarHBondContact O-CB 3.18Å; A120-Q124 PolarHBondContact O-N 3.49Å; I121-Q124 PolarHBondContact O-N 3.09Å; Q124-S126 VanDerWaalsContact C-N 3.27Å
125L97.2Very high96Very high135 Ų13574.9 Ų74.971%0.70744%0.438SS*.THydrogen-bonded Turntrans-87.64.5178.1-63.6-177.5000112.9I121 S123I121-L125 HydrophobicContact CG2-CD1 3.52Å; I121-L125 HydrophobicContact CG2-CG 4.04Å; I121-L125 WeakPolarHBondContact O-CB 3.26Å; I121-L125 WeakPolarHBondContact O-CG 3.13Å; I121-L125 PolarHBondContact O-N 3Å; S123-L125 PolarHBondContact O-N 2.64Å
126S97.1Very high96Very high35 Ų3578.5 Ų78.525%0.24546%0.456CS..  trans-66.7133.8-178.9-169.70000111G122 S123 Q124 E128 S131G122-S126 PolarHBondContact O-N 3.21Å; S123-S126 VanDerWaalsContact O-CB 3.25Å; S123-S126 WeakPolarHBondContact O-CB 3.24Å; S123-S126 PolarHBondContact O-N 3.11Å; Q124-S126 VanDerWaalsContact C-N 3.27Å; S126-E128 PolarHBondContact O-N 2.87Å; S126-E128 PolarHBondContact OG-N 3.22Å; S126-S131 WeakPolarHBondContact CB-OG 3.1Å; S126-S131 WeakPolarHBondContact OG-CB 3.18Å; S126-S131 PolarHBondContact OG-OG 3.39Å
127P97Very high96Very high121 Ų12179.1 Ų79.179%0.78646%0.461SS*.SBendtrans-74.1-16.8175.130.8-34.8000112.8
128E96Very high96Very high144 Ų14481.4 Ų81.467%0.67346%0.464SS*.SBendtrans-101.4138.6-176.8-67.3-60.6140.800111.8S126 S131S126-E128 PolarHBondContact O-N 2.87Å; S126-E128 PolarHBondContact OG-N 3.22Å; E128-S131 WeakPolarHBondContact O-CB 3.4Å
129Q93.7Very high95.8Very high195 Ų19579.6 Ų79.691%0.91146%0.457SS*.THydrogen-bonded Turntrans-70.9144.2176.8-66.3-179.446.200110.9S131Q129-S131 PolarHBondContact O-N 2.98Å
130G91.9Very high95.6Very high88 Ų8886 Ų8691%0.90749%0.491SS*.THydrogen-bonded Turntrans71.315.9-179.900000114.1
131S94.4Very high95.4Very high44 Ų4486.6 Ų86.631%0.30849%0.49SS..  trans-64134.1174.7-1740000111.8S123 S126 E128 Q129S123-S131 PolarHBondContact OG-O 2.86Å; S123-S131 VanDerWaalsContact OG-O 3.08Å; S126-S131 WeakPolarHBondContact CB-OG 3.1Å; S126-S131 WeakPolarHBondContact OG-CB 3.18Å; S126-S131 PolarHBondContact OG-OG 3.39Å; E128-S131 WeakPolarHBondContact O-CB 3.4Å; Q129-S131 PolarHBondContact O-N 2.98Å
132S93.9Very high95.2Very high52 Ų5285.6 Ų85.636%0.36448%0.483SS..  trans-69.9178.8165.4570000111.1S123 E135S123-S132 WeakPolarHBondContact CA-O 3.29Å; S123-S132 WeakPolarHBondContact CB-O 3.25Å; S132-E135 VanDerWaalsContact CB-OE1 3.29Å; S132-E135 WeakPolarHBondContact CB-OE1 3.39Å; S132-E135 PolarHBondContact OG-OE1 3.34Å
133G95.1Very high95.1Very high10 Ų1085.7 Ų85.710%0.10348%0.475CS..SBendtrans-78.5-163.7166.800000112.1F119 E135F119-G133 VanDerWaalsContact CZ-CA 3.49Å; F119-G133 WeakPolarHBondContact O-CA 3.45Å; G133-E135 PolarHBondContact O-N 3.36Å
134I97.3Very high95.2Very high39 Ų3984.3 Ų84.320%0.246%0.463CS..  trans-66.1110.7-179.9-58.2171.4000110.1F115 L118 F119 L137 C146F115-I134 HydrophobicContact CE2-CB 4.43Å; F115-I134 HydrophobicContact CE2-CG2 4.29Å; L118-I134 HydrophobicContact CB-CD1 4.04Å; L118-I134 WeakPolarHBondContact O-CD1 2.83Å; F119-I134 HydrophobicContact CD2-CB 4.33Å; F119-I134 VanDerWaalsContact CD2-N 3.3Å; F119-I134 VanDerWaalsContact CD2-O 3.31Å; F119-I134 WeakPolarHBondContact CD2-O 3.47Å; F119-I134 WeakPolarHBondContact CE2-O 3.48Å; I134-L137 HydrophobicContact CG2-CB 4.23Å; I134-C146 WeakPolarHBondContact O-CB 3.2Å
135E96.8Very high95.3Very high116 Ų11677.7 Ų77.754%0.54243%0.432SS..SBendtrans-91.2-29.3173.2-68.4179.7-17500112.4S132 G133 H145 C146S132-E135 VanDerWaalsContact CB-OE1 3.29Å; S132-E135 WeakPolarHBondContact CB-OE1 3.39Å; S132-E135 PolarHBondContact OG-OE1 3.34Å; G133-E135 PolarHBondContact O-N 3.36Å; E135-H145 CarbonylContact O-C 3.53Å; E135-H145 WeakPolarHBondContact O-CA 3.5Å; E135-C146 PolarHBondContact O-N 3.13Å
136M96.9Very high95.3Very high94 Ų9471.6 Ų71.646%0.46340%0.401SS..EExtended strand (participates in β ladder)trans-146.3134.9-179.5-167.6-83.7-72.200111E138 K143 L144M136-E138 HydrophobicContact CE-CB 4.46Å; M136-E138 HydrophobicContact SD-CB 3.77Å; M136-K143 HydrophobicContact CG-CD 4.04Å; M136-K143 HydrophobicContact CG-CG 3.92Å; M136-K143 HydrophobicContact SD-CD 3.86Å; M136-K143 HydrophobicContact SD-CG 3.72Å; M136-L144 CarbonylContact C-O 3.45Å; M136-L144 VanDerWaalsContact CA-O 3.27Å; M136-L144 WeakPolarHBondContact CA-O 3.27Å
137L97.4Very high95.4Very high61 Ų6174 Ų7432%0.31941%0.405SS..EExtended strand (participates in β ladder)trans-130.9118.4173-177.2166.5000108.7I134 T139 L144I134-L137 HydrophobicContact CG2-CB 4.23Å; L137-T139 HydrophobicContact CD2-CG2 3.84Å; L137-L144 HydrophobicContact CB-CB 4.19Å; L137-L144 PolarHBondContact N-O 2.98Å; L137-L144 PolarHBondContact O-N 3.31Å
138E95.4Very high95.4Very high112 Ų11272.2 Ų72.252%0.52339%0.386SS..EExtended strand (participates in β ladder)trans-103.8139.8-176.3-174.6160.5-142.900111.9M136 K143M136-E138 HydrophobicContact CE-CB 4.46Å; M136-E138 HydrophobicContact SD-CB 3.77Å; E138-K143 WeakPolarHBondContact OE1-CE 3.35Å; E138-K143 IonicContact OE1-NZ 2.81Å; E138-K143 PolarHBondContact OE1-NZ 3.23Å; E138-K143 IonicContact OE2-NZ 2.66Å
139T94.7Very high95.3Very high39 Ų3965.6 Ų65.624%0.23936%0.356CS..  trans-131174.5170.172.20000109.4L137 T141 F142L137-T139 HydrophobicContact CD2-CG2 3.84Å; T139-T141 PolarHBondContact O-N 2.91Å; T139-T141 PolarHBondContact OG1-N 3.46Å; T139-F142 WeakPolarHBondContact CA-O 3.43Å; T139-F142 WeakPolarHBondContact CB-O 3.44Å; T139-F142 HydrophobicContact CG2-CD1 4.35Å; T139-F142 HydrophobicContact CG2-CE1 3.85Å; T139-F142 HydrophobicContact CG2-CE2 4.13Å; T139-F142 HydrophobicContact CG2-CZ 3.72Å; T139-F142 PolarHBondContact N-O 3.17Å; T139-F142 VanDerWaalsContact OG1-CD1 3.26Å; T139-F142 WeakPolarHBondContact OG1-CD1 3.11Å; T139-F142 PolarHBondContact OG1-N 3.47Å; T139-F142 PolarHBondContact OG1-O 2.97Å
140D92.3Very high95.2Very high148 Ų14865.2 Ų65.279%0.79136%0.359SS*.SBendtrans-64.9-24.9174.263.7-37.8000113.5
141T90.4Very high95.2Very high61 Ų6165.6 Ų65.637%0.37434%0.344SS..SBendtrans-113-24.1-173.553.50000114.6F4 T139F4-T141 WeakPolarHBondContact CE2-O 3.34Å; T139-T141 PolarHBondContact O-N 2.91Å; T139-T141 PolarHBondContact OG1-N 3.46Å
142F93.4Very high95.1Very high60 Ų6063.9 Ų63.926%0.26333%0.333SS..  trans-151.5159.9178.873.9-93.5000112.1F4 T139 L144 L158 A159F4-F142 HydrophobicContact CD2-CB 3.8Å; F4-F142 HydrophobicContact CE2-CB 3.58Å; T139-F142 WeakPolarHBondContact CA-O 3.43Å; T139-F142 WeakPolarHBondContact CB-O 3.44Å; T139-F142 HydrophobicContact CG2-CD1 4.35Å; T139-F142 HydrophobicContact CG2-CE1 3.85Å; T139-F142 HydrophobicContact CG2-CE2 4.13Å; T139-F142 HydrophobicContact CG2-CZ 3.72Å; T139-F142 PolarHBondContact N-O 3.17Å; T139-F142 VanDerWaalsContact OG1-CD1 3.26Å; T139-F142 WeakPolarHBondContact OG1-CD1 3.11Å; T139-F142 PolarHBondContact OG1-N 3.47Å; T139-F142 PolarHBondContact OG1-O 2.97Å; F142-L144 HydrophobicContact CD2-CB 4.48Å; F142-L144 HydrophobicContact CE2-CB 4.16Å; F142-L158 HydrophobicContact CD2-CD2 3.76Å; F142-L158 HydrophobicContact CE2-CD2 3.79Å; F142-A159 CarbonylContact C-O 3.56Å; F142-A159 VanDerWaalsContact CA-O 3.24Å; F142-A159 WeakPolarHBondContact CA-O 3.48Å; F142-A159 WeakPolarHBondContact CB-O 3.4Å
143K95.5Very high95.2Very high34 Ų3461.6 Ų61.615%0.14832%0.317CS..EExtended strand (participates in β ladder)trans-120.1130.2168.4-171173.1-77160.30109.1M136 E138 H145 L158 A159 P161M136-K143 HydrophobicContact CG-CD 4.04Å; M136-K143 HydrophobicContact CG-CG 3.92Å; M136-K143 HydrophobicContact SD-CD 3.86Å; M136-K143 HydrophobicContact SD-CG 3.72Å; E138-K143 WeakPolarHBondContact OE1-CE 3.35Å; E138-K143 IonicContact OE1-NZ 2.81Å; E138-K143 PolarHBondContact OE1-NZ 3.23Å; E138-K143 IonicContact OE2-NZ 2.66Å; K143-H145 WeakPolarHBondContact CD-NE2 3.5Å; K143-H145 VanDerWaalsContact CG-NE2 3.35Å; K143-H145 WeakPolarHBondContact CG-NE2 3.26Å; K143-L158 WeakPolarHBondContact O-CA 3.46Å; K143-A159 PolarHBondContact N-O 2.92Å; K143-A159 PolarHBondContact O-N 3.25Å; K143-P161 PolarHBondContact NZ-O 3.4Å
144L97.4Very high95.3Very high18 Ų1861.3 Ų61.39%0.09431%0.312CS..EExtended strand (participates in β ladder)trans-97.9125174.3-178.1163.7000107.9F115 M136 L137 F142 C146 V156 V157 L158F115-L144 HydrophobicContact CD2-CD1 4.05Å; F115-L144 HydrophobicContact CD2-CD2 4.5Å; F115-L144 HydrophobicContact CE2-CD1 3.97Å; F115-L144 HydrophobicContact CE2-CD2 3.65Å; F115-L144 HydrophobicContact CZ-CD2 3.77Å; M136-L144 CarbonylContact C-O 3.45Å; M136-L144 VanDerWaalsContact CA-O 3.27Å; M136-L144 WeakPolarHBondContact CA-O 3.27Å; L137-L144 HydrophobicContact CB-CB 4.19Å; L137-L144 PolarHBondContact N-O 2.98Å; L137-L144 PolarHBondContact O-N 3.31Å; F142-L144 HydrophobicContact CD2-CB 4.48Å; F142-L144 HydrophobicContact CE2-CB 4.16Å; L144-C146 HydrophobicContact CD2-CB 4.15Å; L144-V156 HydrophobicContact CD1-CG1 3.93Å; L144-V156 HydrophobicContact CD2-CG1 3.67Å; L144-V156 HydrophobicContact CG-CG1 3.57Å; L144-V157 WeakPolarHBondContact CA-O 3.46Å; L144-L158 HydrophobicContact CB-CD2 3.46Å; L144-L158 VanDerWaalsContact CB-CD2 3.46Å; L144-L158 HydrophobicContact CD1-CD2 3.79Å; L144-L158 HydrophobicContact CG-CD2 3.6Å
145H97.9Very high95.3Very high26 Ų2659.4 Ų59.412%0.1230%0.303CS..EExtended strand (participates in β ladder)trans-113.4137.7172.1-61.3-104.3000109.8E135 K143 V156 V157 I166 L170E135-H145 CarbonylContact O-C 3.53Å; E135-H145 WeakPolarHBondContact O-CA 3.5Å; K143-H145 WeakPolarHBondContact CD-NE2 3.5Å; K143-H145 VanDerWaalsContact CG-NE2 3.35Å; K143-H145 WeakPolarHBondContact CG-NE2 3.26Å; H145-V156 CarbonylContact O-C 3.55Å; H145-V156 VanDerWaalsContact O-CA 3.26Å; H145-V156 WeakPolarHBondContact O-CA 3.4Å; H145-V157 PolarHBondContact N-O 2.9Å; H145-V157 PolarHBondContact O-N 3.18Å; H145-I166 HydrophobicContact CB-CG2 3.52Å; H145-I166 VanDerWaalsContact CG-CG2 3.42Å; H145-L170 HydrophobicContact CB-CD1 3.81Å
146C97.9Very high95.3Very high7 Ų754.2 Ų54.25%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-131.3127.6-177.8175.10000111F115 I134 E135 L144 F155 V156F115-C146 HydrophobicContact CE1-CB 4.06Å; F115-C146 HydrophobicContact CZ-CB 3.68Å; I134-C146 WeakPolarHBondContact O-CB 3.2Å; E135-C146 PolarHBondContact O-N 3.13Å; L144-C146 HydrophobicContact CD2-CB 4.15Å; C146-F155 CarbonylContact C-O 3.4Å; C146-F155 VanDerWaalsContact CA-O 3.32Å; C146-F155 WeakPolarHBondContact CA-O 3.3Å; C146-V156 HydrophobicContact CB-CG2 4.23Å
147Y97.8Very high95.3Very high86 Ų8649.8 Ų49.834%0.33726%0.257SS..EExtended strand (participates in β ladder)trans-116122.9170.4178.1-106.8000110T149 K154 F155 Y174Y147-T149 HydrophobicContact CE1-CG2 4.32Å; Y147-K154 WeakPolarHBondContact O-CA 3.14Å; Y147-F155 AromaticContact CD1-CD2 3.87Å; Y147-F155 HydrophobicContact CD1-CD2 3.87Å; Y147-F155 HydrophobicContact CD1-CE2 4.35Å; Y147-F155 PolarHBondContact N-O 3.05Å; Y147-F155 PolarHBondContact O-N 3.46Å; Y147-Y174 HydrophobicContact CE1-CD1 4Å; Y147-Y174 AromaticContact CE1-CG 3.94Å; Y147-Y174 HydrophobicContact CE1-CG 3.94Å
148Q96.8Very high95.2Very high82 Ų8248.5 Ų48.538%0.38325%0.25SS..EExtended strand (participates in β ladder)trans-101.5130.2176.1-172.7-178.53200110.8F119 I153 K154F119-Q148 HydrophobicContact CZ-CB 4.07Å; F119-Q148 HydrophobicContact CZ-CG 4.44Å; Q148-I153 CarbonylContact C-O 3.57Å; Q148-I153 WeakPolarHBondContact CA-O 3.4Å; Q148-K154 HydrophobicContact CB-CG 4.28Å; Q148-K154 HydrophobicContact CG-CG 4.09Å
149T94.6Very high95.2Very high6 Ų643.1 Ų43.14%0.03723%0.225CC..  trans-78163.417368.80000112Y147 T151 G152 I153 F155 Y174Y147-T149 HydrophobicContact CE1-CG2 4.32Å; T149-T151 PolarHBondContact O-N 2.82Å; T149-T151 VanDerWaalsContact O-N 3.16Å; T149-T151 PolarHBondContact OG1-N 3.27Å; T149-T151 PolarHBondContact OG1-OG1 3Å; T149-G152 WeakPolarHBondContact O-CA 3.24Å; T149-G152 PolarHBondContact O-N 2.85Å; T149-G152 PolarHBondContact OG1-N 3.42Å; T149-I153 HydrophobicContact CG2-CB 4.22Å; T149-I153 PolarHBondContact N-O 3.44Å; T149-I153 PolarHBondContact OG1-N 2.92Å; T149-I153 PolarHBondContact OG1-O 2.83Å; T149-F155 HydrophobicContact CG2-CD2 4.34Å; T149-F155 HydrophobicContact CG2-CE2 3.51Å; T149-F155 HydrophobicContact CG2-CZ 4.28Å; T149-Y174 HydrophobicContact CG2-CD2 3.62Å; T149-Y174 HydrophobicContact CG2-CE2 3.59Å; T149-Y174 HydrophobicContact CG2-CG 4.46Å
150L92.3Very high95.1Very high186 Ų18642.6 Ų42.697%0.97422%0.221SC*.THydrogen-bonded Turntrans-57.7-28.4171.8-61.3176.7000113.2G152L150-G152 VanDerWaalsContact C-N 3.29Å
151T91.2Very high95.1Very high97 Ų9737 Ų3760%0.59519%0.192SC*.THydrogen-bonded Turntrans-82.7-4.2176.255.10000113.4T149T149-T151 PolarHBondContact O-N 2.82Å; T149-T151 VanDerWaalsContact O-N 3.16Å; T149-T151 PolarHBondContact OG1-N 3.27Å; T149-T151 PolarHBondContact OG1-OG1 3Å
152G92.7Very high95.1Very high7 Ų741.1 Ų41.17%0.07220%0.201CC..SBendtrans90.77.2175.400000115.6K11 T149 L150K11-G152 WeakPolarHBondContact CA-O 3.31Å; T149-G152 WeakPolarHBondContact O-CA 3.24Å; T149-G152 PolarHBondContact O-N 2.85Å; T149-G152 PolarHBondContact OG1-N 3.42Å; L150-G152 VanDerWaalsContact C-N 3.29Å
153I94.7Very high94.9Very high4 Ų438.9 Ų38.92%0.02119%0.192CC..  trans-73.5138.1172.4-54.3-60.1000108.8V8 N10 Q148 T149 F155 Y177V8-I153 HydrophobicContact CG1-CG2 3.9Å; N10-I153 HydrophobicContact CB-CD1 4.22Å; Q148-I153 CarbonylContact C-O 3.57Å; Q148-I153 WeakPolarHBondContact CA-O 3.4Å; T149-I153 HydrophobicContact CG2-CB 4.22Å; T149-I153 PolarHBondContact N-O 3.44Å; T149-I153 PolarHBondContact OG1-N 2.92Å; T149-I153 PolarHBondContact OG1-O 2.83Å; I153-F155 HydrophobicContact CG2-CE1 4.22Å; I153-F155 HydrophobicContact CG2-CE2 4.47Å; I153-F155 HydrophobicContact CG2-CZ 4.05Å; I153-Y177 HydrophobicContact CG1-CE1 4.19Å; I153-Y177 HydrophobicContact CG2-CE1 4.43Å
154K97Very high94.6Very high4 Ų438.8 Ų38.82%0.01720%0.197CC..EExtended strand (participates in β ladder)trans-115.2128.1179.6-58.7-176.5-177.675.80110.2V8 V9 F115 H116 F119 Y147 Q148 V156V8-K154 WeakPolarHBondContact CA-O 3.48Å; V9-K154 HydrophobicContact CB-CB 4.33Å; V9-K154 PolarHBondContact N-O 2.74Å; V9-K154 PolarHBondContact O-N 3.22Å; F115-K154 HydrophobicContact CE1-CD 4.37Å; H116-K154 PolarHBondContact CE1-NZ 3.37Å; H116-K154 PolarHBondContact ND1-NZ 3Å; H116-K154 VanDerWaalsContact ND1-NZ 3.11Å; F119-K154 HydrophobicContact CD1-CD 4.49Å; F119-K154 HydrophobicContact CD2-CD 4.32Å; F119-K154 HydrophobicContact CG-CD 4.26Å; Y147-K154 WeakPolarHBondContact O-CA 3.14Å; Q148-K154 HydrophobicContact CB-CG 4.28Å; Q148-K154 HydrophobicContact CG-CG 4.09Å; K154-V156 HydrophobicContact CB-CG2 4.48Å
155F97.6Very high94.4Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-102.8121.7168.3-52.7-76.9000108.2V8 C146 Y147 T149 I153 L170 I173 Y174 Y177V8-F155 HydrophobicContact CB-CD1 4.46Å; V8-F155 HydrophobicContact CG1-CD1 3.87Å; V8-F155 HydrophobicContact CG1-CE1 3.8Å; V8-F155 HydrophobicContact CG2-CD1 3.96Å; V8-F155 HydrophobicContact CG2-CE1 4.36Å; C146-F155 CarbonylContact C-O 3.4Å; C146-F155 VanDerWaalsContact CA-O 3.32Å; C146-F155 WeakPolarHBondContact CA-O 3.3Å; Y147-F155 AromaticContact CD1-CD2 3.87Å; Y147-F155 HydrophobicContact CD1-CD2 3.87Å; Y147-F155 HydrophobicContact CD1-CE2 4.35Å; Y147-F155 PolarHBondContact N-O 3.05Å; Y147-F155 PolarHBondContact O-N 3.46Å; T149-F155 HydrophobicContact CG2-CD2 4.34Å; T149-F155 HydrophobicContact CG2-CE2 3.51Å; T149-F155 HydrophobicContact CG2-CZ 4.28Å; I153-F155 HydrophobicContact CG2-CE1 4.22Å; I153-F155 HydrophobicContact CG2-CE2 4.47Å; I153-F155 HydrophobicContact CG2-CZ 4.05Å; F155-L170 HydrophobicContact CB-CD2 3.91Å; F155-L170 WeakPolarHBondContact O-CD2 3.35Å; F155-I173 HydrophobicContact CB-CG2 4.32Å; F155-I173 HydrophobicContact CD1-CB 4.48Å; F155-I173 HydrophobicContact CD1-CG2 3.39Å; F155-I173 HydrophobicContact CE1-CG2 3.86Å; F155-I173 HydrophobicContact CG-CG2 3.95Å; F155-Y174 AromaticContact CE2-CD2 3.76Å; F155-Y174 HydrophobicContact CE2-CD2 3.76Å; F155-Y174 HydrophobicContact CE2-CG 4.18Å; F155-Y174 HydrophobicContact CZ-CD2 4.1Å; F155-Y177 HydrophobicContact CE1-CD1 4.37Å; F155-Y177 HydrophobicContact CE1-CD2 4.1Å; F155-Y177 AromaticContact CE1-CG 3.79Å; F155-Y177 HydrophobicContact CE1-CG 3.79Å; F155-Y177 AromaticContact CZ-CD1 3.74Å; F155-Y177 HydrophobicContact CZ-CD1 3.74Å; F155-Y177 HydrophobicContact CZ-CD2 4.29Å; F155-Y177 AromaticContact CZ-CG 3.58Å; F155-Y177 HydrophobicContact CZ-CG 3.58Å
156V97.9Very high94.2Very high7 Ų738.5 Ų38.54%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-120.3128.2-176.2-177.50000108.9V6 Y7 F115 L144 H145 C146 K154V6-V156 CarbonylContact C-O 3.55Å; V6-V156 WeakPolarHBondContact CA-O 3.39Å; Y7-V156 PolarHBondContact N-O 3.11Å; Y7-V156 PolarHBondContact O-N 2.66Å; F115-V156 HydrophobicContact CD1-CG2 4.02Å; F115-V156 HydrophobicContact CE1-CG2 3.64Å; F115-V156 HydrophobicContact CZ-CG2 4.39Å; L144-V156 HydrophobicContact CD1-CG1 3.93Å; L144-V156 HydrophobicContact CD2-CG1 3.67Å; L144-V156 HydrophobicContact CG-CG1 3.57Å; H145-V156 CarbonylContact O-C 3.55Å; H145-V156 VanDerWaalsContact O-CA 3.26Å; H145-V156 WeakPolarHBondContact O-CA 3.4Å; C146-V156 HydrophobicContact CB-CG2 4.23Å; K154-V156 HydrophobicContact CB-CG2 4.48Å
157V97.1Very high94Very high0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-122.5127.5178.7178.50000108.7I3 V6 L144 H145 I166 L169 L170 I173I3-V157 HydrophobicContact CG2-CG1 3.93Å; V6-V157 HydrophobicContact CG2-CG2 4.33Å; L144-V157 WeakPolarHBondContact CA-O 3.46Å; H145-V157 PolarHBondContact N-O 2.9Å; H145-V157 PolarHBondContact O-N 3.18Å; V157-I166 HydrophobicContact CB-CG2 4.25Å; V157-I166 HydrophobicContact CG1-CD1 4.29Å; V157-I166 HydrophobicContact CG1-CG2 4.33Å; V157-L169 HydrophobicContact CG1-CD2 4.08Å; V157-L169 HydrophobicContact CG2-CD2 4.26Å; V157-L170 HydrophobicContact CB-CD2 4.47Å; V157-L170 HydrophobicContact CG2-CD2 3.69Å; V157-L170 HydrophobicContact CG2-CG 4.37Å; V157-I173 HydrophobicContact CG2-CD1 3.9Å
158L95.5Very high93.8Very high34 Ų3442 Ų4218%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-98.9128.2169-60-175.9000108.8F4 S5 Y7 F142 K143 L144F4-L158 HydrophobicContact CB-CB 4.19Å; F4-L158 PolarHBondContact N-O 2.6Å; S5-L158 PolarHBondContact N-O 3.21Å; S5-L158 PolarHBondContact O-N 3.44Å; S5-L158 WeakPolarHBondContact OG-CD1 3.4Å; Y7-L158 HydrophobicContact CE2-CD1 4.25Å; F142-L158 HydrophobicContact CD2-CD2 3.76Å; F142-L158 HydrophobicContact CE2-CD2 3.79Å; K143-L158 WeakPolarHBondContact O-CA 3.46Å; L144-L158 HydrophobicContact CB-CD2 3.46Å; L144-L158 VanDerWaalsContact CB-CD2 3.46Å; L144-L158 HydrophobicContact CD1-CD2 3.79Å; L144-L158 HydrophobicContact CG-CD2 3.6Å
159A94.1Very high93.8Very high0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans-143.4169.2178.300000112.1A2 I3 F4 F142 K143 Q163 I166A2-A159 CarbonylContact O-C 3.58Å; A2-A159 WeakPolarHBondContact O-CA 3.44Å; A2-A159 WeakPolarHBondContact O-CB 3.02Å; I3-A159 HydrophobicContact CG1-CB 4.41Å; F4-A159 WeakPolarHBondContact CE2-O 3.26Å; F142-A159 CarbonylContact C-O 3.56Å; F142-A159 VanDerWaalsContact CA-O 3.24Å; F142-A159 WeakPolarHBondContact CA-O 3.48Å; F142-A159 WeakPolarHBondContact CB-O 3.4Å; K143-A159 PolarHBondContact N-O 2.92Å; K143-A159 PolarHBondContact O-N 3.25Å; A159-Q163 HydrophobicContact CB-CB 3.93Å; A159-Q163 HydrophobicContact CB-CG 4.1Å; A159-I166 HydrophobicContact CB-CD1 3.95Å
160D92.4Very high93.9Very high28 Ų2838.4 Ų38.415%0.1522%0.217CC..  trans-55.9137.9167.8-176.1-64.3000108.7A2 F4 R162 Q163A2-D160 HydrophobicContact CB-CB 4.3Å; A2-D160 PolarHBondContact O-N 3.25Å; F4-D160 HydrophobicContact CZ-CB 4.05Å; D160-R162 PolarHBondContact O-N 3.12Å; D160-R162 VanDerWaalsContact OD1-CB 3.27Å; D160-R162 WeakPolarHBondContact OD1-CB 3.35Å; D160-R162 WeakPolarHBondContact OD1-CG 3.08Å; D160-R162 IonicContact OD1-CZ 2.82Å; D160-R162 PolarHBondContact OD1-N 3.5Å; D160-R162 IonicContact OD1-NE 3.78Å; D160-R162 PolarHBondContact OD1-NE 3.3Å; D160-R162 IonicContact OD1-NH2 2.78Å; D160-R162 IonicContact OD2-CZ 3.99Å; D160-R162 IonicContact OD2-NE 3.68Å; D160-R162 IonicContact OD2-NH2 2.96Å; D160-R162 PolarHBondContact OD2-NH2 2.84Å; D160-Q163 HydrophobicContact CB-CB 4.5Å; D160-Q163 VanDerWaalsContact O-CB 3.25Å; D160-Q163 WeakPolarHBondContact O-CB 3.16Å; D160-Q163 PolarHBondContact O-N 2.95Å
161P91.9Very high94.1Very high29 Ų2936 Ų3619%0.18820%0.195CC..THydrogen-bonded Turntrans-55.9-22.3-178.4-26.435.8000115K143K143-P161 PolarHBondContact NZ-O 3.4Å
162R90.6Very high94.3Very high149 Ų14936 Ų3656%0.56219%0.187SC*.THydrogen-bonded Turntrans-90.8-7.1179.6-55.7169.7-68.1177.40.4113.5D160 A164 T214 F215D160-R162 PolarHBondContact O-N 3.12Å; D160-R162 VanDerWaalsContact OD1-CB 3.27Å; D160-R162 WeakPolarHBondContact OD1-CB 3.35Å; D160-R162 WeakPolarHBondContact OD1-CG 3.08Å; D160-R162 IonicContact OD1-CZ 2.82Å; D160-R162 PolarHBondContact OD1-N 3.5Å; D160-R162 IonicContact OD1-NE 3.78Å; D160-R162 PolarHBondContact OD1-NE 3.3Å; D160-R162 IonicContact OD1-NH2 2.78Å; D160-R162 IonicContact OD2-CZ 3.99Å; D160-R162 IonicContact OD2-NE 3.68Å; D160-R162 IonicContact OD2-NH2 2.96Å; D160-R162 PolarHBondContact OD2-NH2 2.84Å; R162-A164 PolarHBondContact O-N 2.95Å; R162-T214 HydrophobicContact CB-CG2 4.25Å; R162-T214 WeakPolarHBondContact O-CA 3.38Å; R162-F215 PolarHBondContact O-N 3.3Å
163Q89.9Confident94.5Very high12 Ų1235.7 Ų35.76%0.05618%0.184CC..BIsolated β-bridgetrans-67.9124.7179.5-179.558.732.300109.9A2 I3 A159 D160 I166 A209A2-Q163 HydrophobicContact CB-CB 4.32Å; A2-Q163 HydrophobicContact CB-CG 4.34Å; I3-Q163 HydrophobicContact CG1-CG 4.42Å; A159-Q163 HydrophobicContact CB-CB 3.93Å; A159-Q163 HydrophobicContact CB-CG 4.1Å; D160-Q163 HydrophobicContact CB-CB 4.5Å; D160-Q163 VanDerWaalsContact O-CB 3.25Å; D160-Q163 WeakPolarHBondContact O-CB 3.16Å; D160-Q163 PolarHBondContact O-N 2.95Å; Q163-I166 HydrophobicContact CG-CD1 3.63Å; Q163-I166 HydrophobicContact CG-CG1 4.16Å; Q163-A209 PolarHBondContact NE2-O 2.84Å
164A89.9Confident94.5Very high32 Ų3239.3 Ų39.326%0.26420%0.198SC..  trans-98.1174175.600000111.8R162 I166 G213 F215R162-A164 PolarHBondContact O-N 2.95Å; A164-I166 VanDerWaalsContact C-N 3.26Å; A164-I166 PolarHBondContact O-N 3.16Å; A164-G213 PolarHBondContact N-O 3.37Å; A164-F215 HydrophobicContact CB-CD2 3.64Å; A164-F215 HydrophobicContact CB-CE2 4.25Å
165G91.8Very high94.5Very high34 Ų3444 Ų4435%0.35122%0.22SC..  trans73.512.1174.100000115.2D167 S168 L169G165-D167 VanDerWaalsContact C-N 3.31Å; G165-D167 PolarHBondContact O-N 3.44Å; G165-S168 PolarHBondContact O-N 2.71Å; G165-L169 PolarHBondContact O-N 3.4Å
166I94.3Very high94.3Very high4 Ų444.7 Ų44.72%0.02122%0.223CC..Hα-helixtrans-64.7-33.2-179.5-59.1-61000112.1I3 H145 V157 A159 Q163 A164 S168 L169 L170I3-I166 HydrophobicContact CG1-CD1 4.35Å; H145-I166 HydrophobicContact CB-CG2 3.52Å; H145-I166 VanDerWaalsContact CG-CG2 3.42Å; V157-I166 HydrophobicContact CB-CG2 4.25Å; V157-I166 HydrophobicContact CG1-CD1 4.29Å; V157-I166 HydrophobicContact CG1-CG2 4.33Å; A159-I166 HydrophobicContact CB-CD1 3.95Å; Q163-I166 HydrophobicContact CG-CD1 3.63Å; Q163-I166 HydrophobicContact CG-CG1 4.16Å; A164-I166 VanDerWaalsContact C-N 3.26Å; A164-I166 PolarHBondContact O-N 3.16Å; I166-S168 VanDerWaalsContact C-N 3.32Å; I166-S168 PolarHBondContact O-N 3.03Å; I166-L169 HydrophobicContact CD1-CD2 4.35Å; I166-L169 WeakPolarHBondContact O-CB 3.26Å; I166-L169 PolarHBondContact O-N 3.4Å; I166-L169 VanDerWaalsContact O-N 3.15Å; I166-L170 HydrophobicContact CG2-CD1 4.12Å; I166-L170 HydrophobicContact CG2-CG 4.24Å; I166-L170 WeakPolarHBondContact O-CG 3.28Å; I166-L170 PolarHBondContact O-N 3.26Å
167D92.8Very high94.1Very high95 Ų9544.9 Ų44.951%0.50822%0.223SC..Hα-helixtrans-63-40176.7-58.1-42.4000112.1G165 L169 L170 R171G165-D167 VanDerWaalsContact C-N 3.31Å; G165-D167 PolarHBondContact O-N 3.44Å; D167-L169 VanDerWaalsContact C-N 3.33Å; D167-L170 PolarHBondContact O-N 3.29Å; D167-R171 WeakPolarHBondContact O-CG 3.46Å; D167-R171 PolarHBondContact O-N 2.85Å
168S94.6Very high93.8Very high72 Ų7246.1 Ų46.150%0.50323%0.232SC..Hα-helixtrans-66.4-38175.5-62.80000111.2G165 I166 R171 K172G165-S168 PolarHBondContact O-N 2.71Å; I166-S168 VanDerWaalsContact C-N 3.32Å; I166-S168 PolarHBondContact O-N 3.03Å; S168-R171 PolarHBondContact OG-NH1 3.35Å; S168-K172 WeakPolarHBondContact O-CB 3.47Å; S168-K172 PolarHBondContact O-N 3.41Å
169L96Very high93.4Very high5 Ų548.8 Ų48.83%0.02625%0.247CC..Hα-helixtrans-62.7-48.8172.8175.862.8000111.2I3 V157 G165 I166 D167 R171 K172 I173 A205 L206 A209I3-L169 HydrophobicContact CD1-CD2 3.75Å; V157-L169 HydrophobicContact CG1-CD2 4.08Å; V157-L169 HydrophobicContact CG2-CD2 4.26Å; G165-L169 PolarHBondContact O-N 3.4Å; I166-L169 HydrophobicContact CD1-CD2 4.35Å; I166-L169 WeakPolarHBondContact O-CB 3.26Å; I166-L169 PolarHBondContact O-N 3.4Å; I166-L169 VanDerWaalsContact O-N 3.15Å; D167-L169 VanDerWaalsContact C-N 3.33Å; L169-R171 VanDerWaalsContact C-N 3.34Å; L169-R171 PolarHBondContact O-N 3.18Å; L169-K172 CarbonylContact O-C 3.59Å; L169-K172 WeakPolarHBondContact O-CA 3.45Å; L169-K172 WeakPolarHBondContact O-CB 3.39Å; L169-K172 PolarHBondContact O-N 3.17Å; L169-I173 HydrophobicContact CD1-CD1 4.08Å; L169-I173 HydrophobicContact CD1-CG1 4.1Å; L169-I173 HydrophobicContact CG-CD1 3.92Å; L169-I173 HydrophobicContact CG-CG1 4.35Å; L169-I173 VanDerWaalsContact O-CG1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.22Å; L169-I173 PolarHBondContact O-N 3.42Å; L169-A205 HydrophobicContact CD1-CB 4.08Å; L169-L206 HydrophobicContact CD1-CD2 4.18Å; L169-L206 HydrophobicContact CD2-CD2 3.89Å; L169-A209 HydrophobicContact CB-CB 4.01Å; L169-A209 HydrophobicContact CD1-CB 3.98Å; L169-A209 HydrophobicContact CD2-CB 3.88Å; L169-A209 HydrophobicContact CG-CB 4.17Å
170L97.1Very high92.9Very high7 Ų749.7 Ų49.74%0.03725%0.25CS..Hα-helixtrans-58.5-44178.8-74.8169.5000112.1H145 F155 V157 I166 D167 K172 I173 Y174H145-L170 HydrophobicContact CB-CD1 3.81Å; F155-L170 HydrophobicContact CB-CD2 3.91Å; F155-L170 WeakPolarHBondContact O-CD2 3.35Å; V157-L170 HydrophobicContact CB-CD2 4.47Å; V157-L170 HydrophobicContact CG2-CD2 3.69Å; V157-L170 HydrophobicContact CG2-CG 4.37Å; I166-L170 HydrophobicContact CG2-CD1 4.12Å; I166-L170 HydrophobicContact CG2-CG 4.24Å; I166-L170 WeakPolarHBondContact O-CG 3.28Å; I166-L170 PolarHBondContact O-N 3.26Å; D167-L170 PolarHBondContact O-N 3.29Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.19Å; L170-I173 PolarHBondContact O-N 3.21Å; L170-Y174 PolarHBondContact O-N 3.08Å
171R95.9Very high92.2Very high135 Ų13549.7 Ų49.751%0.50925%0.254SS..Hα-helixtrans-61.1-41.4173-69.2-176.5-138.91112.5111.5D167 S168 L169 Y174 E175D167-R171 WeakPolarHBondContact O-CG 3.46Å; D167-R171 PolarHBondContact O-N 2.85Å; S168-R171 PolarHBondContact OG-NH1 3.35Å; L169-R171 VanDerWaalsContact C-N 3.34Å; L169-R171 PolarHBondContact O-N 3.18Å; R171-Y174 WeakPolarHBondContact O-CB 3.31Å; R171-Y174 PolarHBondContact O-N 3.08Å; R171-E175 PolarHBondContact O-N 2.81Å
172K96.5Very high91.4Very high98 Ų9855.2 Ų55.243%0.42628%0.282SS..Hα-helixtrans-65.6-40.1178.2-170.258.2-179.7175.90112.6S168 L169 L170 Y174 E175 I176 A205S168-K172 WeakPolarHBondContact O-CB 3.47Å; S168-K172 PolarHBondContact O-N 3.41Å; L169-K172 CarbonylContact O-C 3.59Å; L169-K172 WeakPolarHBondContact O-CA 3.45Å; L169-K172 WeakPolarHBondContact O-CB 3.39Å; L169-K172 PolarHBondContact O-N 3.17Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.19Å; K172-Y174 VanDerWaalsContact C-N 3.28Å; K172-Y174 PolarHBondContact O-N 3.44Å; K172-E175 VanDerWaalsContact CD-OE2 3.26Å; K172-E175 WeakPolarHBondContact CD-OE2 3.33Å; K172-E175 IonicContact NZ-OE2 2.92Å; K172-E175 PolarHBondContact NZ-OE2 2.78Å; K172-E175 PolarHBondContact O-N 2.87Å; K172-I176 HydrophobicContact CG-CD1 4.14Å; K172-I176 WeakPolarHBondContact O-CD1 3.28Å; K172-I176 VanDerWaalsContact O-CG1 3.27Å; K172-I176 WeakPolarHBondContact O-CG1 3.48Å; K172-I176 PolarHBondContact O-N 3.48Å; K172-A205 HydrophobicContact CG-CB 3.91Å
173I96.4Very high90.9Very high0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-61.6-41.1174.3-63.3172.2000110V6 F155 V157 L169 L170 I176 Y177 L202V6-I173 HydrophobicContact CG1-CD1 4.06Å; F155-I173 HydrophobicContact CB-CG2 4.32Å; F155-I173 HydrophobicContact CD1-CB 4.48Å; F155-I173 HydrophobicContact CD1-CG2 3.39Å; F155-I173 HydrophobicContact CE1-CG2 3.86Å; F155-I173 HydrophobicContact CG-CG2 3.95Å; V157-I173 HydrophobicContact CG2-CD1 3.9Å; L169-I173 HydrophobicContact CD1-CD1 4.08Å; L169-I173 HydrophobicContact CD1-CG1 4.1Å; L169-I173 HydrophobicContact CG-CD1 3.92Å; L169-I173 HydrophobicContact CG-CG1 4.35Å; L169-I173 VanDerWaalsContact O-CG1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.22Å; L169-I173 PolarHBondContact O-N 3.42Å; L170-I173 PolarHBondContact O-N 3.21Å; I173-I176 PolarHBondContact O-N 3.06Å; I173-Y177 WeakPolarHBondContact O-CB 3.07Å; I173-Y177 PolarHBondContact O-N 2.83Å; I173-L202 HydrophobicContact CB-CD1 4.46Å; I173-L202 HydrophobicContact CD1-CD1 3.88Å; I173-L202 HydrophobicContact CG1-CD1 3.53Å; I173-L202 HydrophobicContact CG2-CD1 4.29Å
174Y95.9Very high90.2Very high81 Ų8157.4 Ų57.432%0.31830%0.298SS..Hα-helixtrans-61.9-44.6175.6175.5-131.2000112.2Y147 T149 F155 L170 R171 K172 I176 Y177 S178Y147-Y174 HydrophobicContact CE1-CD1 4Å; Y147-Y174 AromaticContact CE1-CG 3.94Å; Y147-Y174 HydrophobicContact CE1-CG 3.94Å; T149-Y174 HydrophobicContact CG2-CD2 3.62Å; T149-Y174 HydrophobicContact CG2-CE2 3.59Å; T149-Y174 HydrophobicContact CG2-CG 4.46Å; F155-Y174 AromaticContact CE2-CD2 3.76Å; F155-Y174 HydrophobicContact CE2-CD2 3.76Å; F155-Y174 HydrophobicContact CE2-CG 4.18Å; F155-Y174 HydrophobicContact CZ-CD2 4.1Å; L170-Y174 PolarHBondContact O-N 3.08Å; R171-Y174 WeakPolarHBondContact O-CB 3.31Å; R171-Y174 PolarHBondContact O-N 3.08Å; K172-Y174 VanDerWaalsContact C-N 3.28Å; K172-Y174 PolarHBondContact O-N 3.44Å; Y174-I176 PolarHBondContact O-N 2.85Å; Y174-Y177 PolarHBondContact O-N 3.44Å; Y174-S178 VanDerWaalsContact CE2-OG 3.28Å; Y174-S178 WeakPolarHBondContact CE2-OG 3.31Å; Y174-S178 WeakPolarHBondContact O-CB 3.29Å; Y174-S178 PolarHBondContact O-N 3.39Å; Y174-S178 PolarHBondContact O-OG 3.45Å
175E95.1Very high89.4Confident102 Ų10261.1 Ų61.148%0.47732%0.32SS..Hα-helixtrans-57-48174.2-70.1177.4178.400112R171 K172 Y177 S178 D179R171-E175 PolarHBondContact O-N 2.81Å; K172-E175 VanDerWaalsContact CD-OE2 3.26Å; K172-E175 WeakPolarHBondContact CD-OE2 3.33Å; K172-E175 IonicContact NZ-OE2 2.92Å; K172-E175 PolarHBondContact NZ-OE2 2.78Å; K172-E175 PolarHBondContact O-N 2.87Å; E175-Y177 VanDerWaalsContact C-N 3.31Å; E175-Y177 PolarHBondContact O-N 2.88Å; E175-S178 PolarHBondContact O-N 2.66Å; E175-D179 PolarHBondContact O-N 3.08Å
176I94.7Very high88.7Confident15 Ų1569.1 Ų69.18%0.07735%0.345CS..Hα-helixtrans-62.2-41.3179.3-63.6162.9000110.5K172 I173 Y174 F180 F198 N201 A205K172-I176 HydrophobicContact CG-CD1 4.14Å; K172-I176 WeakPolarHBondContact O-CD1 3.28Å; K172-I176 VanDerWaalsContact O-CG1 3.27Å; K172-I176 WeakPolarHBondContact O-CG1 3.48Å; K172-I176 PolarHBondContact O-N 3.48Å; I173-I176 PolarHBondContact O-N 3.06Å; Y174-I176 PolarHBondContact O-N 2.85Å; I176-F180 PolarHBondContact O-N 2.84Å; I176-F198 HydrophobicContact CG2-CD2 3.68Å; I176-F198 HydrophobicContact CG2-CE2 3.99Å; I176-F198 HydrophobicContact CG2-CG 4.39Å; I176-N201 HydrophobicContact CD1-CB 4.05Å; I176-N201 HydrophobicContact CG1-CB 4.14Å; I176-N201 HydrophobicContact CG2-CB 3.85Å; I176-A205 HydrophobicContact CD1-CB 3.98Å
177Y92.9Very high87.8Confident10 Ų1071.3 Ų71.34%0.03935%0.354CS..Hα-helixtrans-64.9-42.9175.6177.9-96.6000112I16 I153 F155 I173 Y174 E175 D179 F180 A181 I193 F198I16-Y177 HydrophobicContact CD1-CE2 4.41Å; I153-Y177 HydrophobicContact CG1-CE1 4.19Å; I153-Y177 HydrophobicContact CG2-CE1 4.43Å; F155-Y177 HydrophobicContact CE1-CD1 4.37Å; F155-Y177 HydrophobicContact CE1-CD2 4.1Å; F155-Y177 AromaticContact CE1-CG 3.79Å; F155-Y177 HydrophobicContact CE1-CG 3.79Å; F155-Y177 AromaticContact CZ-CD1 3.74Å; F155-Y177 HydrophobicContact CZ-CD1 3.74Å; F155-Y177 HydrophobicContact CZ-CD2 4.29Å; F155-Y177 AromaticContact CZ-CG 3.58Å; F155-Y177 HydrophobicContact CZ-CG 3.58Å; I173-Y177 WeakPolarHBondContact O-CB 3.07Å; I173-Y177 PolarHBondContact O-N 2.83Å; Y174-Y177 PolarHBondContact O-N 3.44Å; E175-Y177 VanDerWaalsContact C-N 3.31Å; E175-Y177 PolarHBondContact O-N 2.88Å; Y177-D179 PolarHBondContact O-N 3.33Å; Y177-F180 PolarHBondContact O-N 2.71Å; Y177-F180 VanDerWaalsContact O-N 3.15Å; Y177-A181 HydrophobicContact CD1-CB 4.31Å; Y177-A181 HydrophobicContact CE1-CB 3.9Å; Y177-A181 WeakPolarHBondContact O-CB 3.34Å; Y177-A181 PolarHBondContact O-N 3.09Å; Y177-I193 HydrophobicContact CD2-CD1 3.84Å; Y177-I193 HydrophobicContact CE2-CD1 3.83Å; Y177-F198 HydrophobicContact CD2-CE2 4.32Å
178S90.3Very high87.2Confident27 Ų2769.6 Ų69.619%0.18935%0.349CS..Hα-helixtrans-61.7-43.1178.2-78.80000111.9Y174 E175 F180 A181 L182Y174-S178 VanDerWaalsContact CE2-OG 3.28Å; Y174-S178 WeakPolarHBondContact CE2-OG 3.31Å; Y174-S178 WeakPolarHBondContact O-CB 3.29Å; Y174-S178 PolarHBondContact O-N 3.39Å; Y174-S178 PolarHBondContact O-OG 3.45Å; E175-S178 PolarHBondContact O-N 2.66Å; S178-F180 VanDerWaalsContact C-N 3.26Å; S178-F180 PolarHBondContact O-N 2.87Å; S178-A181 PolarHBondContact O-N 3.36Å; S178-L182 WeakPolarHBondContact O-CB 3.24Å; S178-L182 WeakPolarHBondContact O-CG 3.12Å; S178-L182 PolarHBondContact O-N 2.92Å
179D88Confident86.3Confident89 Ų8970.9 Ų70.948%0.47635%0.35SS..Hα-helixtrans-57.8-41.3173.5-92.3-33.5000112E175 Y177 K183E175-D179 PolarHBondContact O-N 3.08Å; Y177-D179 PolarHBondContact O-N 3.33Å; D179-K183 VanDerWaalsContact CG-NZ 3.3Å; D179-K183 WeakPolarHBondContact O-CB 3.31Å; D179-K183 VanDerWaalsContact O-CD 3.24Å; D179-K183 WeakPolarHBondContact O-CD 3.16Å; D179-K183 WeakPolarHBondContact O-CG 3.4Å; D179-K183 PolarHBondContact O-N 2.7Å; D179-K183 WeakPolarHBondContact OD1-CE 3.29Å; D179-K183 IonicContact OD1-NZ 3.61Å; D179-K183 PolarHBondContact OD1-NZ 2.8Å; D179-K183 IonicContact OD2-NZ 3.55Å
180F83.5Confident85.5Confident19 Ų1977.5 Ų77.58%0.08338%0.381CS..Hα-helixtrans-71.6-47.5178.4171-105.1000112.8I176 Y177 S178 N184 Y187 I193 C195 F198I176-F180 PolarHBondContact O-N 2.84Å; Y177-F180 PolarHBondContact O-N 2.71Å; Y177-F180 VanDerWaalsContact O-N 3.15Å; S178-F180 VanDerWaalsContact C-N 3.26Å; S178-F180 PolarHBondContact O-N 2.87Å; F180-N184 WeakPolarHBondContact CD2-ND2 3.11Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.48Å; F180-N184 PolarHBondContact O-N 2.81Å; F180-N184 PolarHBondContact O-ND2 2.99Å; F180-Y187 AromaticContact CE1-CD1 3.93Å; F180-Y187 HydrophobicContact CE1-CD1 3.93Å; F180-Y187 AromaticContact CE1-CD2 3.97Å; F180-Y187 HydrophobicContact CE1-CD2 3.97Å; F180-Y187 AromaticContact CE1-CE1 3.67Å; F180-Y187 HydrophobicContact CE1-CE1 3.67Å; F180-Y187 AromaticContact CE1-CE2 3.73Å; F180-Y187 HydrophobicContact CE1-CE2 3.73Å; F180-Y187 HydrophobicContact CE1-CG 4.07Å; F180-Y187 AromaticContact CE1-CZ 3.57Å; F180-Y187 HydrophobicContact CZ-CD1 4.42Å; F180-Y187 AromaticContact CZ-CD2 3.66Å; F180-Y187 HydrophobicContact CZ-CD2 3.66Å; F180-Y187 HydrophobicContact CZ-CE1 4.34Å; F180-Y187 AromaticContact CZ-CE2 3.58Å; F180-Y187 HydrophobicContact CZ-CE2 3.58Å; F180-Y187 HydrophobicContact CZ-CG 4.1Å; F180-Y187 AromaticContact CZ-CZ 3.94Å; F180-I193 HydrophobicContact CD1-CG2 4.06Å; F180-I193 HydrophobicContact CE1-CB 4.37Å; F180-I193 HydrophobicContact CE1-CG1 4.09Å; F180-I193 HydrophobicContact CE1-CG2 3.75Å; F180-I193 HydrophobicContact CZ-CG2 4.06Å; F180-C195 HydrophobicContact CD2-CB 3.47Å; F180-C195 VanDerWaalsContact CD2-CB 3.47Å; F180-C195 HydrophobicContact CE2-CB 3.23Å; F180-C195 HydrophobicContact CG-CB 4.48Å; F180-C195 HydrophobicContact CZ-CB 4.06Å; F180-F198 HydrophobicContact CB-CD2 4.32Å
181A78.3Confident84.9Confident28 Ų2882.2 Ų82.223%0.23140%0.404CS..Hα-helixtrans-68.9-39-176.200000112Y177 S178Y177-A181 HydrophobicContact CD1-CB 4.31Å; Y177-A181 HydrophobicContact CE1-CB 3.9Å; Y177-A181 WeakPolarHBondContact O-CB 3.34Å; Y177-A181 PolarHBondContact O-N 3.09Å; S178-A181 PolarHBondContact O-N 3.36Å
182L74.5Confident84.5Confident146 Ų14678.4 Ų78.476%0.76440%0.396SS*.Hα-helixtrans-79.5-24.2-178.8-62.2174.4000113S178S178-L182 WeakPolarHBondContact O-CB 3.24Å; S178-L182 WeakPolarHBondContact O-CG 3.12Å; S178-L182 PolarHBondContact O-N 2.92Å
183K79.4Confident84.1Confident138 Ų13874.2 Ų74.260%0.638%0.379SS*.Hα-helixtrans-88.9-11.5178.7-66.7173.6-168.7158.20113.6D179 P185D179-K183 VanDerWaalsContact CG-NZ 3.3Å; D179-K183 WeakPolarHBondContact O-CB 3.31Å; D179-K183 VanDerWaalsContact O-CD 3.24Å; D179-K183 WeakPolarHBondContact O-CD 3.16Å; D179-K183 WeakPolarHBondContact O-CG 3.4Å; D179-K183 PolarHBondContact O-N 2.7Å; D179-K183 WeakPolarHBondContact OD1-CE 3.29Å; D179-K183 IonicContact OD1-NZ 3.61Å; D179-K183 PolarHBondContact OD1-NZ 2.8Å; D179-K183 IonicContact OD2-NZ 3.55Å; K183-P185 VanDerWaalsContact O-CD 3.25Å; K183-P185 WeakPolarHBondContact O-CD 3.4Å
184N76.2Confident83.6Confident68 Ų6884 Ų8436%0.36442%0.416SS..  trans-112.984.6178.5-68.7-64.7000111.4F180 F186 Y187F180-N184 WeakPolarHBondContact CD2-ND2 3.11Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.48Å; F180-N184 PolarHBondContact O-N 2.81Å; F180-N184 PolarHBondContact O-ND2 2.99Å; N184-F186 PolarHBondContact O-N 2.9Å; N184-Y187 VanDerWaalsContact O-CB 3.29Å; N184-Y187 WeakPolarHBondContact O-CB 3.13Å; N184-Y187 PolarHBondContact O-N 3.08Å
185P73.4Confident83.2Confident110 Ų11082 Ų8271%0.71441%0.413SS*.THydrogen-bonded Turntrans-64.9-15.3-173.925.3-34.5000114.6K183K183-P185 VanDerWaalsContact O-CD 3.25Å; K183-P185 WeakPolarHBondContact O-CD 3.4Å
186F76.1Confident82.9Confident203 Ų20384.1 Ų84.189%0.8942%0.423SS*.THydrogen-bonded Turntrans-102.89.2177.6-54.3-72.9000113.1N184 S188N184-F186 PolarHBondContact O-N 2.9Å; F186-S188 PolarHBondContact O-N 2.8Å
187Y76.2Confident82.7Confident49 Ų4988.7 Ų88.719%0.19245%0.447CS..  trans-74.7120-178-173.1-109000111.2F180 N184 M191 I193F180-Y187 AromaticContact CE1-CD1 3.93Å; F180-Y187 HydrophobicContact CE1-CD1 3.93Å; F180-Y187 AromaticContact CE1-CD2 3.97Å; F180-Y187 HydrophobicContact CE1-CD2 3.97Å; F180-Y187 AromaticContact CE1-CE1 3.67Å; F180-Y187 HydrophobicContact CE1-CE1 3.67Å; F180-Y187 AromaticContact CE1-CE2 3.73Å; F180-Y187 HydrophobicContact CE1-CE2 3.73Å; F180-Y187 HydrophobicContact CE1-CG 4.07Å; F180-Y187 AromaticContact CE1-CZ 3.57Å; F180-Y187 HydrophobicContact CZ-CD1 4.42Å; F180-Y187 AromaticContact CZ-CD2 3.66Å; F180-Y187 HydrophobicContact CZ-CD2 3.66Å; F180-Y187 HydrophobicContact CZ-CE1 4.34Å; F180-Y187 AromaticContact CZ-CE2 3.58Å; F180-Y187 HydrophobicContact CZ-CE2 3.58Å; F180-Y187 HydrophobicContact CZ-CG 4.1Å; F180-Y187 AromaticContact CZ-CZ 3.94Å; N184-Y187 VanDerWaalsContact O-CB 3.29Å; N184-Y187 WeakPolarHBondContact O-CB 3.13Å; N184-Y187 PolarHBondContact O-N 3.08Å; Y187-M191 PolarHBondContact OH-O 2.92Å; Y187-I193 WeakPolarHBondContact OH-CA 3.48Å; Y187-I193 WeakPolarHBondContact OH-CG1 3.4Å; Y187-I193 PolarHBondContact OH-N 3.41Å
188S79.9Confident82.7Confident60 Ų6088.4 Ų88.442%0.4245%0.446SS..  trans-78.1126171177.70000110.1F186 E190 M191F186-S188 PolarHBondContact O-N 2.8Å; S188-E190 PolarHBondContact O-N 3.07Å; S188-E190 VanDerWaalsContact O-N 3.12Å; S188-M191 PolarHBondContact O-N 3.4Å; S188-M191 VanDerWaalsContact O-N 3.09Å
189L76.7Confident82.8Confident99 Ų9989 Ų8952%0.51845%0.447SS..THydrogen-bonded Turntrans-63.8-16.2-178.6-61.1175.9000113.7
190E77.6Confident83.1Confident143 Ų14389.7 Ų89.767%0.66845%0.447SS*.THydrogen-bonded Turntrans-91.5-12.2179.4-62.5-175.1168.100113S188S188-E190 PolarHBondContact O-N 3.07Å; S188-E190 VanDerWaalsContact O-N 3.12Å
191M84.6Confident83.7Confident106 Ų10692.4 Ų92.452%0.52246%0.463SS..SBendtrans-88.6148.2-177.2-67.4-63.3-71.600111.3Y187 S188Y187-M191 PolarHBondContact OH-O 2.92Å; S188-M191 PolarHBondContact O-N 3.4Å; S188-M191 VanDerWaalsContact O-N 3.09Å
192P88.3Confident84.5Confident55 Ų5591.1 Ų91.136%0.35745%0.452SS..  trans-62.9141.9177.425.4-34.2000112I16 R194I16-P192 CarbonylContact O-C 3.54Å; I16-P192 WeakPolarHBondContact O-CA 3.41Å; P192-R194 PolarHBondContact O-N 3.49Å
193I88.1Confident85.4Confident11 Ų1188.8 Ų88.86%0.05644%0.436CS..  trans-72.1109.6174.7-55.3171.7000107.5V8 I16 Y17 Y177 F180 Y187 C195 F198V8-I193 HydrophobicContact CG1-CD1 4.41Å; I16-I193 HydrophobicContact CD1-CD1 4.22Å; I16-I193 HydrophobicContact CD1-CG1 4.39Å; I16-I193 HydrophobicContact CG1-CD1 4.44Å; I16-I193 PolarHBondContact O-N 3.08Å; Y17-I193 HydrophobicContact CD2-CB 4.19Å; Y177-I193 HydrophobicContact CD2-CD1 3.84Å; Y177-I193 HydrophobicContact CE2-CD1 3.83Å; F180-I193 HydrophobicContact CD1-CG2 4.06Å; F180-I193 HydrophobicContact CE1-CB 4.37Å; F180-I193 HydrophobicContact CE1-CG1 4.09Å; F180-I193 HydrophobicContact CE1-CG2 3.75Å; F180-I193 HydrophobicContact CZ-CG2 4.06Å; Y187-I193 WeakPolarHBondContact OH-CA 3.48Å; Y187-I193 WeakPolarHBondContact OH-CG1 3.4Å; Y187-I193 PolarHBondContact OH-N 3.41Å; I193-C195 HydrophobicContact CG2-CB 4.47Å; I193-F198 HydrophobicContact CD1-CE1 4.22Å; I193-F198 HydrophobicContact CD1-CE2 4.33Å; I193-F198 HydrophobicContact CD1-CZ 4.08Å; I193-F198 HydrophobicContact CG2-CB 3.98Å; I193-F198 HydrophobicContact CG2-CD1 3.71Å; I193-F198 HydrophobicContact CG2-CD2 4.34Å; I193-F198 HydrophobicContact CG2-CE1 4.32Å; I193-F198 HydrophobicContact CG2-CG 3.74Å
194R86.1Confident86.1Confident206 Ų20686.8 Ų86.878%0.77743%0.431SS*.  trans-108.97.1178.4-64.6-176179.9-179.50.4113.6P192 E196P192-R194 PolarHBondContact O-N 3.49Å; R194-E196 PolarHBondContact O-N 3.21Å
195C87.4Confident87Confident37 Ų3784.1 Ų84.125%0.2542%0.418CS..  trans-71.9120.9-177.9-177.20000110.9F180 I193 L197 F198 D199F180-C195 HydrophobicContact CD2-CB 3.47Å; F180-C195 VanDerWaalsContact CD2-CB 3.47Å; F180-C195 HydrophobicContact CE2-CB 3.23Å; F180-C195 HydrophobicContact CG-CB 4.48Å; F180-C195 HydrophobicContact CZ-CB 4.06Å; I193-C195 HydrophobicContact CG2-CB 4.47Å; C195-L197 VanDerWaalsContact C-N 3.28Å; C195-L197 PolarHBondContact O-N 3.26Å; C195-F198 HydrophobicContact CB-CB 4.12Å; C195-F198 WeakPolarHBondContact O-CB 3.11Å; C195-F198 PolarHBondContact O-N 3.38Å; C195-F198 VanDerWaalsContact O-N 3.12Å; C195-D199 PolarHBondContact O-N 3.45Å
196E89.5Confident87.9Confident148 Ų14879.1 Ų79.169%0.69239%0.386SS*.Hα-helixtrans-62.7-35.3179.5-62.7-178.8-179.700112.3R194 F198 D199 Q200R194-E196 PolarHBondContact O-N 3.21Å; E196-F198 VanDerWaalsContact C-N 3.28Å; E196-F198 PolarHBondContact O-N 2.93Å; E196-D199 PolarHBondContact O-N 2.85Å; E196-Q200 WeakPolarHBondContact O-CB 3.33Å; E196-Q200 VanDerWaalsContact O-CG 3.31Å; E196-Q200 WeakPolarHBondContact O-CG 3.42Å; E196-Q200 PolarHBondContact O-N 3.03Å
197L90.4Very high88.6Confident111 Ų11174.8 Ų74.858%0.58137%0.368SS*.Hα-helixtrans-65-33.3176.4-65.8175.6000112.1C195 N201C195-L197 VanDerWaalsContact C-N 3.28Å; C195-L197 PolarHBondContact O-N 3.26Å; L197-N201 VanDerWaalsContact O-CB 3.31Å; L197-N201 WeakPolarHBondContact O-CB 3.48Å; L197-N201 VanDerWaalsContact O-CG 3.31Å; L197-N201 PolarHBondContact O-N 3.07Å; L197-N201 PolarHBondContact O-ND2 3.06Å
198F92.3Very high89.4Confident3 Ų377.3 Ų77.31%0.01339%0.388CS..Hα-helixtrans-64.9-48.2173.5178.3-88.8000110.2V8 Y17 I176 Y177 F180 I193 C195 E196 Q200 N201 L202V8-F198 HydrophobicContact CG2-CZ 4.4Å; Y17-F198 AromaticContact CD1-CE1 3.84Å; Y17-F198 HydrophobicContact CD1-CE1 3.84Å; Y17-F198 AromaticContact CD2-CD1 3.92Å; Y17-F198 HydrophobicContact CD2-CD1 3.92Å; Y17-F198 AromaticContact CD2-CE1 3.72Å; Y17-F198 HydrophobicContact CD2-CE1 3.72Å; Y17-F198 AromaticContact CE1-CE1 3.97Å; Y17-F198 HydrophobicContact CE1-CE1 3.97Å; Y17-F198 AromaticContact CE2-CD1 3.83Å; Y17-F198 HydrophobicContact CE2-CD1 3.83Å; Y17-F198 AromaticContact CE2-CE1 3.84Å; Y17-F198 HydrophobicContact CE2-CE1 3.84Å; Y17-F198 HydrophobicContact CG-CD1 4.39Å; Y17-F198 AromaticContact CG-CE1 3.72Å; Y17-F198 HydrophobicContact CG-CE1 3.72Å; Y17-F198 AromaticContact CZ-CE1 3.97Å; I176-F198 HydrophobicContact CG2-CD2 3.68Å; I176-F198 HydrophobicContact CG2-CE2 3.99Å; I176-F198 HydrophobicContact CG2-CG 4.39Å; Y177-F198 HydrophobicContact CD2-CE2 4.32Å; F180-F198 HydrophobicContact CB-CD2 4.32Å; I193-F198 HydrophobicContact CD1-CE1 4.22Å; I193-F198 HydrophobicContact CD1-CE2 4.33Å; I193-F198 HydrophobicContact CD1-CZ 4.08Å; I193-F198 HydrophobicContact CG2-CB 3.98Å; I193-F198 HydrophobicContact CG2-CD1 3.71Å; I193-F198 HydrophobicContact CG2-CD2 4.34Å; I193-F198 HydrophobicContact CG2-CE1 4.32Å; I193-F198 HydrophobicContact CG2-CG 3.74Å; C195-F198 HydrophobicContact CB-CB 4.12Å; C195-F198 WeakPolarHBondContact O-CB 3.11Å; C195-F198 PolarHBondContact O-N 3.38Å; C195-F198 VanDerWaalsContact O-N 3.12Å; E196-F198 VanDerWaalsContact C-N 3.28Å; E196-F198 PolarHBondContact O-N 2.93Å; F198-Q200 PolarHBondContact O-N 3.37Å; F198-N201 PolarHBondContact O-N 3.07Å; F198-L202 HydrophobicContact CE1-CD2 4.11Å; F198-L202 VanDerWaalsContact O-CB 3.24Å; F198-L202 WeakPolarHBondContact O-CB 3.48Å; F198-L202 PolarHBondContact O-N 2.8Å
199D92.5Very high89.9Confident41 Ų4174.8 Ų74.822%0.21937%0.371CS..Hα-helixtrans-60.9-45.6179.4-172.775000112.5Y17 C195 E196 L202 K203Y17-D199 PolarHBondContact OH-OD1 3.23Å; C195-D199 PolarHBondContact O-N 3.45Å; E196-D199 PolarHBondContact O-N 2.85Å; D199-L202 PolarHBondContact O-N 2.85Å; D199-K203 WeakPolarHBondContact O-CG 3.34Å; D199-K203 PolarHBondContact O-N 2.89Å; D199-K203 WeakPolarHBondContact OD2-CE 3.34Å; D199-K203 IonicContact OD2-NZ 2.86Å; D199-K203 PolarHBondContact OD2-NZ 3.05Å
200Q94.6Very high90.4Very high103 Ų10372.5 Ų72.548%0.48136%0.358SS..Hα-helixtrans-63.3-49.5178.2-72.3175.4600112.1E196 F198 L202 K203 L204E196-Q200 WeakPolarHBondContact O-CB 3.33Å; E196-Q200 VanDerWaalsContact O-CG 3.31Å; E196-Q200 WeakPolarHBondContact O-CG 3.42Å; E196-Q200 PolarHBondContact O-N 3.03Å; F198-Q200 PolarHBondContact O-N 3.37Å; Q200-L202 VanDerWaalsContact C-N 3.3Å; Q200-L202 PolarHBondContact O-N 2.77Å; Q200-K203 PolarHBondContact O-N 3.06Å; Q200-L204 WeakPolarHBondContact O-CG 3.2Å; Q200-L204 PolarHBondContact O-N 2.68Å; Q200-L204 VanDerWaalsContact O-N 3.08Å
201N95.1Very high90.8Very high76 Ų7673.8 Ų73.841%0.40636%0.361SS..Hα-helixtrans-66.1-34.8179.7-73.9-48.7000112.1I176 L197 F198 L204 A205I176-N201 HydrophobicContact CD1-CB 4.05Å; I176-N201 HydrophobicContact CG1-CB 4.14Å; I176-N201 HydrophobicContact CG2-CB 3.85Å; L197-N201 VanDerWaalsContact O-CB 3.31Å; L197-N201 WeakPolarHBondContact O-CB 3.48Å; L197-N201 VanDerWaalsContact O-CG 3.31Å; L197-N201 PolarHBondContact O-N 3.07Å; L197-N201 PolarHBondContact O-ND2 3.06Å; F198-N201 PolarHBondContact O-N 3.07Å; N201-L204 PolarHBondContact O-N 2.83Å; N201-A205 WeakPolarHBondContact O-CB 3.44Å; N201-A205 PolarHBondContact O-N 3.41Å
202L95Very high90.5Very high0 Ų070.7 Ų70.70%035%0.353CS..Hα-helixtrans-64.1-44.9174.5-178.564.5000111.4V6 Y17 L19 I173 F198 D199 Q200 L204 A205 L206V6-L202 HydrophobicContact CG1-CD2 4.32Å; Y17-L202 HydrophobicContact CD1-CD2 4.09Å; Y17-L202 HydrophobicContact CE1-CD2 3.2Å; L19-L202 HydrophobicContact CD2-CD2 4.14Å; L19-L202 HydrophobicContact CD2-CG 4.49Å; I173-L202 HydrophobicContact CB-CD1 4.46Å; I173-L202 HydrophobicContact CD1-CD1 3.88Å; I173-L202 HydrophobicContact CG1-CD1 3.53Å; I173-L202 HydrophobicContact CG2-CD1 4.29Å; F198-L202 HydrophobicContact CE1-CD2 4.11Å; F198-L202 VanDerWaalsContact O-CB 3.24Å; F198-L202 WeakPolarHBondContact O-CB 3.48Å; F198-L202 PolarHBondContact O-N 2.8Å; D199-L202 PolarHBondContact O-N 2.85Å; Q200-L202 VanDerWaalsContact C-N 3.3Å; Q200-L202 PolarHBondContact O-N 2.77Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.89Å; L202-A205 WeakPolarHBondContact O-CB 3.47Å; L202-A205 PolarHBondContact O-N 3.38Å; L202-L206 HydrophobicContact CG-CD1 4.31Å; L202-L206 WeakPolarHBondContact O-CG 3.29Å; L202-L206 PolarHBondContact O-N 2.82Å
203K94.1Very high89.5Confident98 Ų9869.4 Ų69.443%0.42635%0.349SS..Hα-helixtrans-58.5-44.2175.8-76.3169.9175.8163.10111.9L19 D199 Q200 A205 L206 E207L19-K203 HydrophobicContact CD2-CG 4.15Å; D199-K203 WeakPolarHBondContact O-CG 3.34Å; D199-K203 PolarHBondContact O-N 2.89Å; D199-K203 WeakPolarHBondContact OD2-CE 3.34Å; D199-K203 IonicContact OD2-NZ 2.86Å; D199-K203 PolarHBondContact OD2-NZ 3.05Å; Q200-K203 PolarHBondContact O-N 3.06Å; K203-A205 PolarHBondContact O-N 3.46Å; K203-L206 WeakPolarHBondContact O-CB 3.37Å; K203-L206 PolarHBondContact O-N 2.89Å; K203-E207 WeakPolarHBondContact O-CG 3.44Å; K203-E207 PolarHBondContact O-N 3.35Å
204L94.1Very high88.5Confident95 Ų9572.6 Ų72.650%0.49737%0.369SS..Hα-helixtrans-61.9-41.6175-67.7173000112.2Q200 N201 L202 L206 E207 V208Q200-L204 WeakPolarHBondContact O-CG 3.2Å; Q200-L204 PolarHBondContact O-N 2.68Å; Q200-L204 VanDerWaalsContact O-N 3.08Å; N201-L204 PolarHBondContact O-N 2.83Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.89Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 PolarHBondContact O-N 2.85Å; L204-E207 PolarHBondContact O-N 2.77Å; L204-V208 WeakPolarHBondContact O-CG2 3.26Å; L204-V208 PolarHBondContact O-N 3.31Å; L204-V208 VanDerWaalsContact O-N 3.13Å
205A94.6Very high87.3Confident12 Ų1269.8 Ų69.810%0.09936%0.363CS..Hα-helixtrans-63.5-38.8176.300000112.1L169 K172 I176 N201 L202 K203 V208 A209L169-A205 HydrophobicContact CD1-CB 4.08Å; K172-A205 HydrophobicContact CG-CB 3.91Å; I176-A205 HydrophobicContact CD1-CB 3.98Å; N201-A205 WeakPolarHBondContact O-CB 3.44Å; N201-A205 PolarHBondContact O-N 3.41Å; L202-A205 WeakPolarHBondContact O-CB 3.47Å; L202-A205 PolarHBondContact O-N 3.38Å; K203-A205 PolarHBondContact O-N 3.46Å; A205-V208 PolarHBondContact O-N 3.4Å; A205-A209 WeakPolarHBondContact O-CB 3.14Å; A205-A209 PolarHBondContact O-N 2.97Å
206L93.2Very high85.6Confident6 Ų669.4 Ų69.43%0.03137%0.366CS..Hα-helixtrans-63.7-43.6174.5-70.7172.7000111.8I3 V6 L19 L169 L202 K203 L204 V208 A209 E210I3-L206 HydrophobicContact CB-CD2 4.49Å; I3-L206 HydrophobicContact CD1-CD2 3.87Å; I3-L206 HydrophobicContact CG2-CD2 3.82Å; V6-L206 HydrophobicContact CG2-CD1 4.13Å; V6-L206 HydrophobicContact CG2-CD2 3.78Å; V6-L206 HydrophobicContact CG2-CG 4.46Å; L19-L206 HydrophobicContact CD2-CD1 3.6Å; L169-L206 HydrophobicContact CD1-CD2 4.18Å; L169-L206 HydrophobicContact CD2-CD2 3.89Å; L202-L206 HydrophobicContact CG-CD1 4.31Å; L202-L206 WeakPolarHBondContact O-CG 3.29Å; L202-L206 PolarHBondContact O-N 2.82Å; K203-L206 WeakPolarHBondContact O-CB 3.37Å; K203-L206 PolarHBondContact O-N 2.89Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 PolarHBondContact O-N 2.85Å; L206-V208 VanDerWaalsContact C-N 3.27Å; L206-V208 PolarHBondContact O-N 3.42Å; L206-A209 PolarHBondContact O-N 3.15Å; L206-E210 WeakPolarHBondContact O-CB 3.35Å; L206-E210 PolarHBondContact O-N 3.24Å
207E91.5Very high83.2Confident112 Ų11269.5 Ų69.552%0.52338%0.379SS..Hα-helixtrans-61-35.1176.1-72.4177.4-168.800113.1K203 L204 K211K203-E207 WeakPolarHBondContact O-CG 3.44Å; K203-E207 PolarHBondContact O-N 3.35Å; L204-E207 PolarHBondContact O-N 2.77Å; E207-K211 WeakPolarHBondContact O-CG 3.44Å
208V91.3Very high81.1Confident101 Ų10168.1 Ų68.161%0.61239%0.392SS*.Hα-helixtrans-70.5-46.2174.9173.40000110.7L204 A205 L206 E210 K211 A212L204-V208 WeakPolarHBondContact O-CG2 3.26Å; L204-V208 PolarHBondContact O-N 3.31Å; L204-V208 VanDerWaalsContact O-N 3.13Å; A205-V208 PolarHBondContact O-N 3.4Å; L206-V208 VanDerWaalsContact C-N 3.27Å; L206-V208 PolarHBondContact O-N 3.42Å; V208-E210 VanDerWaalsContact C-N 3.27Å; V208-E210 PolarHBondContact O-N 3.5Å; V208-K211 WeakPolarHBondContact O-CB 3.43Å; V208-K211 PolarHBondContact O-N 3.18Å; V208-K211 VanDerWaalsContact O-N 3.11Å; V208-A212 PolarHBondContact O-N 3.31Å
209A90.1Very high78.5Confident8 Ų875.5 Ų75.57%0.06644%0.444CS..Hα-helixtrans-64.1-34.3179.500000112.1I3 Q163 L169 A205 L206 K211 A212I3-A209 HydrophobicContact CD1-CB 3.63Å; Q163-A209 PolarHBondContact NE2-O 2.84Å; L169-A209 HydrophobicContact CB-CB 4.01Å; L169-A209 HydrophobicContact CD1-CB 3.98Å; L169-A209 HydrophobicContact CD2-CB 3.88Å; L169-A209 HydrophobicContact CG-CB 4.17Å; A205-A209 WeakPolarHBondContact O-CB 3.14Å; A205-A209 PolarHBondContact O-N 2.97Å; L206-A209 PolarHBondContact O-N 3.15Å; A209-K211 PolarHBondContact O-N 2.88Å; A209-A212 WeakPolarHBondContact O-CB 3.27Å; A209-A212 PolarHBondContact O-N 3.27Å
210E87.4Confident77.8Confident51 Ų5177.3 Ų77.324%0.23846%0.455CS..Hα-helixtrans-60.2-30.6174.9-158.470.7-17700112.6M1 A2 I3 L206 V208 A212M1-E210 WeakPolarHBondContact CA-OE1 3.31Å; M1-E210 VanDerWaalsContact CB-OE1 3.27Å; M1-E210 WeakPolarHBondContact CB-OE1 3.48Å; A2-E210 PolarHBondContact N-OE1 3.48Å; I3-E210 PolarHBondContact N-OE2 3.02Å; L206-E210 WeakPolarHBondContact O-CB 3.35Å; L206-E210 PolarHBondContact O-N 3.24Å; V208-E210 VanDerWaalsContact C-N 3.27Å; V208-E210 PolarHBondContact O-N 3.5Å; E210-A212 VanDerWaalsContact C-N 3.33Å
211K86.8Confident77Confident170 Ų17075.9 Ų75.974%0.73945%0.454SS*.THydrogen-bonded Turntrans-82.1-9.2176.7-64.9170.9-173.8172.10113.4E207 V208 A209 G213E207-K211 WeakPolarHBondContact O-CG 3.44Å; V208-K211 WeakPolarHBondContact O-CB 3.43Å; V208-K211 PolarHBondContact O-N 3.18Å; V208-K211 VanDerWaalsContact O-N 3.11Å; A209-K211 PolarHBondContact O-N 2.88Å; K211-G213 PolarHBondContact O-N 3.2Å; K211-G213 VanDerWaalsContact O-N 3.11Å
212A78.1Confident75.9Confident41 Ų4175.9 Ų75.934%0.33946%0.456SS..THydrogen-bonded Turntrans-68.7-5.7-179.800000113.4V208 A209 E210 F215V208-A212 PolarHBondContact O-N 3.31Å; A209-A212 WeakPolarHBondContact O-CB 3.27Å; A209-A212 PolarHBondContact O-N 3.27Å; E210-A212 VanDerWaalsContact C-N 3.33Å; A212-F215 WeakPolarHBondContact O-CE2 3.36Å
213G66.8Low74.8Confident28 Ų2880.4 Ų80.429%0.28948%0.483SS..  trans84.3159.8170.800000114.3A164 K211A164-G213 PolarHBondContact N-O 3.37Å; K211-G213 PolarHBondContact O-N 3.2Å; K211-G213 VanDerWaalsContact O-N 3.11Å
214T68.2Low73.6Confident78 Ų7879.3 Ų79.348%0.47949%0.487SS..BIsolated β-bridgetrans-100.6104.616747.60000107.5R162 G216R162-T214 HydrophobicContact CB-CG2 4.25Å; R162-T214 WeakPolarHBondContact O-CA 3.38Å; T214-G216 PolarHBondContact O-N 2.97Å
215F61.3Low72.3Confident147 Ų14778.2 Ų78.265%0.64549%0.486SS*.  trans-88.7106.3175-65.4-80.9000107.8R162 A164 A212R162-F215 PolarHBondContact O-N 3.3Å; A164-F215 HydrophobicContact CB-CD2 3.64Å; A164-F215 HydrophobicContact CB-CE2 4.25Å; A212-F215 WeakPolarHBondContact O-CE2 3.36Å
216G50.1Low70.7Confident29 Ų2982.9 Ų82.930%0.29951%0.513SS..  trans-114.7159.8172.500000111.1T214 G218T214-G216 PolarHBondContact O-N 2.97Å; G216-G218 PolarHBondContact O-N 3.48Å
217P39.1Very low68.9Low149 Ų14988.8 Ų88.897%0.96855%0.551SS**THydrogen-bonded Turntrans-63.6104.1178.827.7-31.5000108.6
218G47.1Very low67.1Low83 Ų8386.9 Ų86.986%0.85655%0.553SS**THydrogen-bonded Turntrans157.4-10.4-168.500000114.1G216G216-G218 PolarHBondContact O-N 3.48Å
219S38.4Very low64.8Low158 Ų15885.6 Ų85.6100%1.10555%0.547SS*.  trans-91.10154.859.40000111.4

Retrieved 219 of 219 residues in 178.6 ms (Link to these results)

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