A0A060VVT9_ONCMY Loading...

Glyoxalase domain-containing protein 4

AlphaFold DB , UniProt , Accession A0A060VVT9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110507769, Length 297 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
1M44.1Very low87.6Confident245 Ų24540.8 Ų40.8100%1.20723%0.234SC*.  0116.10-72.6-156.8-82.400107
2A54.9Low88.5Confident46 Ų4638.3 Ų38.338%0.3822%0.218SC..  trans-90.7160.3-143.300000114.5S4 Q209A2-S4 VanDerWaalsContact C-N 3.26Å; A2-S4 PolarHBondContact O-N 3.35Å; A2-Q209 VanDerWaalsContact CB-CD 3.4Å
3S80.8Confident89.1Confident80 Ų8035.8 Ų35.856%0.55920%0.204SC*.  trans-56.767.2-176.31680000114.2
4S95.4Very high89.5Confident17 Ų1733.8 Ų33.812%0.11920%0.195CC..  trans-81.6142.7170-71.40000111.9A2 F176 Q180 S204A2-S4 VanDerWaalsContact C-N 3.26Å; A2-S4 PolarHBondContact O-N 3.35Å; S4-F176 WeakPolarHBondContact O-CB 3.32Å; S4-Q180 PolarHBondContact O-NE2 3.43Å; S4-Q180 VanDerWaalsContact O-NE2 3.11Å; S4-S204 WeakPolarHBondContact CA-O 3.43Å
5R97.4Very high89.7Confident22 Ų2232.9 Ų32.98%0.08319%0.19CC..EExtended strand (participates in β ladder)trans-136.2128.2-177.1-174.9171.258.887.3-1.5112.1L7 E63 D64 Q180 F203 S204 D257R5-L7 HydrophobicContact CG-CD2 4.38Å; R5-L7 PolarHBondContact O-N 2.77Å; R5-E63 PolarHBondContact NH1-O 3.4Å; R5-D64 PolarHBondContact NH1-O 3.42Å; R5-Q180 VanDerWaalsContact CA-OE1 3.26Å; R5-F203 CarbonylContact O-C 3.54Å; R5-F203 WeakPolarHBondContact O-CA 3.26Å; R5-S204 PolarHBondContact N-O 2.73Å; R5-S204 VanDerWaalsContact N-O 3.08Å; R5-S204 PolarHBondContact O-N 3Å; R5-D257 IonicContact CZ-OD1 2.77Å; R5-D257 IonicContact NE-OD1 2.77Å; R5-D257 IonicContact NH2-OD1 3.81Å; R5-D257 PolarHBondContact NH2-OD1 3.21Å
6A98.1Very high90Very high7 Ų731.6 Ų31.66%0.05818%0.18CC..EExtended strand (participates in β ladder)trans-66.1128.4170.500000110.2F67 C181 F203A6-F67 HydrophobicContact CB-CD2 3.84Å; A6-F67 HydrophobicContact CB-CE2 4.11Å; A6-C181 HydrophobicContact CB-CB 4.41Å; A6-F203 HydrophobicContact CB-CD1 4.03Å; A6-F203 HydrophobicContact CB-CE1 3.87Å
7L98.7Very high90.2Very high2 Ų235.2 Ų35.21%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-108.3-60.3-172.9-55.1179.8000112.1R5 F67 A68 A202 V255 F260R5-L7 HydrophobicContact CG-CD2 4.38Å; R5-L7 PolarHBondContact O-N 2.77Å; L7-F67 CarbonylContact O-C 3.5Å; L7-F67 VanDerWaalsContact O-CA 3.32Å; L7-F67 WeakPolarHBondContact O-CA 3.39Å; L7-A68 PolarHBondContact O-N 2.89Å; L7-A202 HydrophobicContact CB-CB 4.21Å; L7-A202 WeakPolarHBondContact CB-O 3.06Å; L7-A202 HydrophobicContact CD1-CB 4.32Å; L7-A202 PolarHBondContact N-O 2.93Å; L7-V255 HydrophobicContact CD1-CG1 3.42Å; L7-V255 VanDerWaalsContact CD1-CG1 3.42Å; L7-F260 HydrophobicContact CB-CE1 4.46Å; L7-F260 HydrophobicContact CB-CZ 4.42Å; L7-F260 HydrophobicContact CD1-CD1 3.96Å; L7-F260 HydrophobicContact CD1-CD2 4.32Å; L7-F260 HydrophobicContact CD1-CE1 3.76Å; L7-F260 HydrophobicContact CD1-CE2 4.12Å; L7-F260 HydrophobicContact CD1-CG 4.25Å; L7-F260 HydrophobicContact CD1-CZ 3.84Å; L7-F260 HydrophobicContact CD2-CD1 4.07Å; L7-F260 HydrophobicContact CD2-CE1 3.74Å; L7-F260 HydrophobicContact CD2-CZ 4.48Å; L7-F260 HydrophobicContact CG-CE1 4.19Å; L7-F260 HydrophobicContact CG-CZ 4.49Å
8H98.9Very high90.5Very high13 Ų1338.3 Ų38.36%0.0620%0.202CC..EExtended strand (participates in β ladder)trans-164.8167.7-174.254-99.6000112.4M57 A68 E70 A202H8-M57 HydrophobicContact CB-CE 4.06Å; H8-A68 WeakPolarHBondContact CA-O 3.36Å; H8-A68 HydrophobicContact CB-CB 4.13Å; H8-A68 WeakPolarHBondContact CB-O 3.43Å; H8-E70 IonicContact CE1-OE2 2.69Å; H8-E70 IonicContact NE2-OE2 3.07Å; H8-A202 VanDerWaalsContact NE2-CB 3.27Å; H8-A202 WeakPolarHBondContact NE2-CB 3.14Å; H8-A202 PolarHBondContact O-N 3.47Å
9F98.8Very high90.9Very high6 Ų636.4 Ų36.43%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-113.3134.8163.9-164.7-91.4000110F11 F67 A68 A69 E70 F86 V141 L143 R200 I201F9-F11 HydrophobicContact CB-CE2 3.99Å; F9-F11 HydrophobicContact CB-CZ 4.21Å; F9-F11 AromaticContact CD1-CD1 3.9Å; F9-F11 HydrophobicContact CD1-CD1 3.9Å; F9-F11 HydrophobicContact CD1-CD2 4.03Å; F9-F11 AromaticContact CD1-CE1 3.49Å; F9-F11 HydrophobicContact CD1-CE1 3.49Å; F9-F11 VanDerWaalsContact CD1-CE1 3.49Å; F9-F11 AromaticContact CD1-CE2 3.66Å; F9-F11 HydrophobicContact CD1-CE2 3.66Å; F9-F11 HydrophobicContact CD1-CG 4.16Å; F9-F11 AromaticContact CD1-CZ 3.37Å; F9-F11 HydrophobicContact CD1-CZ 3.37Å; F9-F11 HydrophobicContact CE1-CD1 4.05Å; F9-F11 AromaticContact CE1-CE1 3.75Å; F9-F11 HydrophobicContact CE1-CE1 3.75Å; F9-F11 HydrophobicContact CE1-CZ 4.1Å; F9-F11 HydrophobicContact CG-CE2 4.28Å; F9-F11 HydrophobicContact CG-CZ 4.13Å; F9-F11 WeakPolarHBondContact O-CD2 3.46Å; F9-F67 HydrophobicContact CB-CE1 4.04Å; F9-F67 HydrophobicContact CB-CZ 3.95Å; F9-A68 PolarHBondContact N-O 3.08Å; F9-A68 VanDerWaalsContact N-O 3.14Å; F9-A69 WeakPolarHBondContact O-CA 3.46Å; F9-E70 PolarHBondContact O-N 2.79Å; F9-F86 HydrophobicContact CD1-CD2 4.34Å; F9-F86 HydrophobicContact CD1-CE2 4.11Å; F9-F86 AromaticContact CE1-CD2 3.65Å; F9-F86 HydrophobicContact CE1-CD2 3.65Å; F9-F86 AromaticContact CE1-CE2 3.88Å; F9-F86 HydrophobicContact CE1-CE2 3.88Å; F9-F86 HydrophobicContact CE1-CG 4.36Å; F9-F86 HydrophobicContact CE2-CD2 4.08Å; F9-F86 HydrophobicContact CE2-CE2 4.43Å; F9-F86 HydrophobicContact CG-CE2 4.45Å; F9-F86 AromaticContact CZ-CD2 3.5Å; F9-F86 HydrophobicContact CZ-CD2 3.5Å; F9-F86 HydrophobicContact CZ-CE2 4.05Å; F9-F86 HydrophobicContact CZ-CG 4.32Å; F9-V141 HydrophobicContact CB-CG2 4.42Å; F9-V141 HydrophobicContact CD2-CG1 3.94Å; F9-V141 HydrophobicContact CE2-CG1 4.15Å; F9-L143 HydrophobicContact CE2-CD2 4.04Å; F9-L143 HydrophobicContact CZ-CD2 4.4Å; F9-R200 WeakPolarHBondContact CA-O 3.32Å; F9-I201 HydrophobicContact CD2-CB 3.94Å; F9-I201 HydrophobicContact CD2-CG1 4.41Å; F9-I201 HydrophobicContact CE2-CB 4.34Å
10V98.6Very high91.2Very high11 Ų1134.9 Ų34.97%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-87.9127.3178.6-174.60000110.1E70 G199 R200V10-E70 CarbonylContact C-O 3.52Å; V10-E70 WeakPolarHBondContact CA-O 3.45Å; V10-E70 HydrophobicContact CB-CB 4.38Å; V10-E70 HydrophobicContact CG1-CB 4.49Å; V10-E70 HydrophobicContact CG1-CG 4.29Å; V10-E70 HydrophobicContact CG2-CB 3.99Å; V10-E70 HydrophobicContact CG2-CG 4.2Å; V10-G199 WeakPolarHBondContact O-CA 3.47Å; V10-R200 HydrophobicContact CB-CB 4.17Å; V10-R200 HydrophobicContact CG2-CB 4.02Å; V10-R200 WeakPolarHBondContact CG2-O 3.38Å; V10-R200 PolarHBondContact N-O 3.37Å
11F98.4Very high91.5Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-117.8134.4175.6-62.9-82.4000110.4F9 V13 A69 E70 L71 T72 F86 L89 Y123 F125F9-F11 HydrophobicContact CB-CE2 3.99Å; F9-F11 HydrophobicContact CB-CZ 4.21Å; F9-F11 AromaticContact CD1-CD1 3.9Å; F9-F11 HydrophobicContact CD1-CD1 3.9Å; F9-F11 HydrophobicContact CD1-CD2 4.03Å; F9-F11 AromaticContact CD1-CE1 3.49Å; F9-F11 HydrophobicContact CD1-CE1 3.49Å; F9-F11 VanDerWaalsContact CD1-CE1 3.49Å; F9-F11 AromaticContact CD1-CE2 3.66Å; F9-F11 HydrophobicContact CD1-CE2 3.66Å; F9-F11 HydrophobicContact CD1-CG 4.16Å; F9-F11 AromaticContact CD1-CZ 3.37Å; F9-F11 HydrophobicContact CD1-CZ 3.37Å; F9-F11 HydrophobicContact CE1-CD1 4.05Å; F9-F11 AromaticContact CE1-CE1 3.75Å; F9-F11 HydrophobicContact CE1-CE1 3.75Å; F9-F11 HydrophobicContact CE1-CZ 4.1Å; F9-F11 HydrophobicContact CG-CE2 4.28Å; F9-F11 HydrophobicContact CG-CZ 4.13Å; F9-F11 WeakPolarHBondContact O-CD2 3.46Å; F11-V13 HydrophobicContact CB-CG1 4.46Å; F11-A69 HydrophobicContact CD2-CB 3.88Å; F11-A69 HydrophobicContact CE2-CB 3.81Å; F11-E70 PolarHBondContact N-O 3.03Å; F11-L71 HydrophobicContact CB-CD2 4.25Å; F11-L71 HydrophobicContact CD2-CD2 4.44Å; F11-T72 PolarHBondContact O-N 3.15Å; F11-F86 AromaticContact CE1-CE1 3.9Å; F11-F86 HydrophobicContact CE1-CE1 3.9Å; F11-F86 AromaticContact CE1-CE2 3.94Å; F11-F86 HydrophobicContact CE1-CE2 3.94Å; F11-F86 AromaticContact CE1-CZ 3.57Å; F11-F86 HydrophobicContact CE1-CZ 3.57Å; F11-F86 HydrophobicContact CZ-CE1 4.5Å; F11-F86 HydrophobicContact CZ-CE2 4.07Å; F11-F86 AromaticContact CZ-CZ 3.77Å; F11-F86 HydrophobicContact CZ-CZ 3.77Å; F11-L89 HydrophobicContact CZ-CD1 4.45Å; F11-Y123 HydrophobicContact CB-CE2 4.48Å; F11-Y123 AromaticContact CD1-CD1 3.71Å; F11-Y123 HydrophobicContact CD1-CD1 3.71Å; F11-Y123 HydrophobicContact CD1-CD2 4.14Å; F11-Y123 AromaticContact CD1-CE1 3.93Å; F11-Y123 HydrophobicContact CD1-CE1 3.93Å; F11-Y123 HydrophobicContact CD1-CE2 4.33Å; F11-Y123 AromaticContact CD1-CG 3.8Å; F11-Y123 HydrophobicContact CD1-CG 3.8Å; F11-Y123 HydrophobicContact CE1-CD1 4.03Å; F11-Y123 HydrophobicContact CE1-CG 4.15Å; F11-F125 HydrophobicContact CE2-CZ 4.4Å; F11-F125 HydrophobicContact CZ-CE2 4.49Å; F11-F125 HydrophobicContact CZ-CZ 4.09Å
12K97.8Very high94.1Very high11 Ų1124 Ų245%0.04813%0.134CC..EExtended strand (participates in β ladder)trans-87.7128.1171.9-71166.2-177.9145.70109.2T72 Y80 Y123 T196 F198K12-T72 WeakPolarHBondContact CA-O 3.35Å; K12-Y80 HydrophobicContact CB-CD1 3.96Å; K12-Y80 HydrophobicContact CB-CD2 3.75Å; K12-Y80 HydrophobicContact CB-CE1 3.91Å; K12-Y80 HydrophobicContact CB-CE2 3.72Å; K12-Y80 HydrophobicContact CB-CG 3.88Å; K12-Y80 HydrophobicContact CD-CD1 3.73Å; K12-Y80 HydrophobicContact CD-CE1 3.75Å; K12-Y80 HydrophobicContact CD-CG 4.37Å; K12-Y80 HydrophobicContact CG-CD1 4.39Å; K12-Y80 HydrophobicContact CG-CE1 4.15Å; K12-Y123 PolarHBondContact N-OH 2.9Å; K12-Y123 WeakPolarHBondContact O-CE2 3.26Å; K12-Y123 PolarHBondContact O-OH 2.93Å; K12-T196 VanDerWaalsContact CD-O 3.27Å; K12-T196 WeakPolarHBondContact CD-O 3.45Å; K12-T196 PolarHBondContact NZ-O 2.79Å; K12-F198 WeakPolarHBondContact CE-O 3.28Å; K12-F198 VanDerWaalsContact NZ-CE1 3.33Å; K12-F198 VanDerWaalsContact NZ-CZ 3.26Å; K12-F198 PolarHBondContact NZ-O 2.86Å
13V96.6Very high96.2Very high5 Ų522 Ų223%0.0312%0.116CC..  trans-122.8128.6-172.3-57.10000111.2F11 T19 L71 T72 Y73F11-V13 HydrophobicContact CB-CG1 4.46Å; V13-T19 HydrophobicContact CB-CG2 4.31Å; V13-T19 HydrophobicContact CG1-CG2 3.86Å; V13-L71 HydrophobicContact CG1-CB 4.34Å; V13-L71 HydrophobicContact CG1-CD2 4.18Å; V13-L71 HydrophobicContact CG2-CB 4.42Å; V13-T72 PolarHBondContact N-O 2.84Å; V13-Y73 HydrophobicContact CG2-CD2 4.25Å; V13-Y73 VanDerWaalsContact O-CD2 3.26Å; V13-Y73 WeakPolarHBondContact O-CD2 3.42Å
14G93.9Very high97Very high8 Ų821.4 Ų21.48%0.08210%0.102CC..SBendtrans-94-33178.700000114Y73 G78G14-Y73 WeakPolarHBondContact O-CE2 3.32Å; G14-G78 WeakPolarHBondContact CA-O 3.48Å
15D93.6Very high97.1Very high21 Ų2123.1 Ų23.111%0.11211%0.11CC..  trans-117.489.4175.6-172.6-21.4000110.4R17 K18 T19D15-R17 VanDerWaalsContact C-N 3.25Å; D15-R17 PolarHBondContact O-N 2.83Å; D15-R17 PolarHBondContact OD1-N 3.22Å; D15-R17 VanDerWaalsContact OD1-N 3.08Å; D15-K18 HydrophobicContact CB-CB 4.28Å; D15-K18 PolarHBondContact O-N 3.23Å; D15-K18 PolarHBondContact OD1-N 2.91Å; D15-K18 VanDerWaalsContact OD1-N 3.07Å; D15-K18 WeakPolarHBondContact OD2-CD 3.17Å; D15-K18 VanDerWaalsContact OD2-CE 3.29Å; D15-K18 WeakPolarHBondContact OD2-CE 3.46Å; D15-K18 VanDerWaalsContact OD2-CG 3.24Å; D15-K18 WeakPolarHBondContact OD2-CG 3.39Å; D15-K18 IonicContact OD2-NZ 3.51Å; D15-T19 VanDerWaalsContact O-CB 3.29Å; D15-T19 WeakPolarHBondContact O-CB 3.39Å; D15-T19 PolarHBondContact O-N 2.76Å; D15-T19 PolarHBondContact O-OG1 2.88Å
16R93.4Very high97.2Very high11 Ų1122.1 Ų22.14%0.04211%0.106CC..Hα-helixtrans-59.7-29.518054.9171.156.6170.9-28.9114.2A20 E36 S54 Y73 Y75 M278 D281R16-A20 WeakPolarHBondContact O-CB 3.33Å; R16-A20 PolarHBondContact O-N 3.05Å; R16-E36 IonicContact NH2-OE1 2.79Å; R16-S54 PolarHBondContact NH2-OG 3.24Å; R16-Y73 HydrophobicContact CB-CD2 3.85Å; R16-Y73 HydrophobicContact CB-CE2 4.08Å; R16-Y73 HydrophobicContact CB-CG 4.41Å; R16-Y73 HydrophobicContact CG-CD2 4.04Å; R16-Y73 HydrophobicContact CG-CE2 3.78Å; R16-Y73 VanDerWaalsContact NE-CZ 3.34Å; R16-Y75 PolarHBondContact NH1-OH 2.63Å; R16-Y75 PolarHBondContact NH2-OH 2.83Å; R16-M278 HydrophobicContact CG-CG 4.3Å; R16-D281 WeakPolarHBondContact CD-OD2 3.3Å; R16-D281 IonicContact CZ-OD2 3.65Å; R16-D281 IonicContact NE-OD2 2.77Å; R16-D281 VanDerWaalsContact NH1-CG 3.29Å; R16-D281 IonicContact NH1-OD2 3.9Å; R16-D281 PolarHBondContact NH1-OD2 2.77Å
17R94Very high97.2Very high93 Ų9321.8 Ų21.835%0.35110%0.103SC..Hα-helixtrans-73.5-49.8-178.8-61.4-175.9-144.3-78.5-3.4110.4D15 T19 A20 T21 M278 D284D15-R17 VanDerWaalsContact C-N 3.25Å; D15-R17 PolarHBondContact O-N 2.83Å; D15-R17 PolarHBondContact OD1-N 3.22Å; D15-R17 VanDerWaalsContact OD1-N 3.08Å; R17-T19 VanDerWaalsContact C-N 3.27Å; R17-T19 PolarHBondContact O-N 3.47Å; R17-A20 PolarHBondContact O-N 3.05Å; R17-T21 PolarHBondContact O-N 2.81Å; R17-T21 VanDerWaalsContact O-N 3.08Å; R17-T21 PolarHBondContact O-OG1 3.44Å; R17-M278 HydrophobicContact CB-SD 4.48Å; R17-M278 HydrophobicContact CG-SD 4.06Å; R17-M278 PolarHBondContact NH1-O 2.81Å; R17-D284 IonicContact CZ-OD2 3.9Å; R17-D284 IonicContact NE-OD2 3.34Å; R17-D284 PolarHBondContact NE-OD2 2.86Å; R17-D284 IonicContact NH2-OD2 3.66Å; R17-D284 PolarHBondContact NH2-OD2 3Å
18K95.3Very high97.2Very high91 Ų9123.3 Ų23.340%0.39612%0.119SC..Hα-helixtrans-62.5-38.1175.1-71.6-175.9-170172.70111.4D15 T21 F22 P120D15-K18 HydrophobicContact CB-CB 4.28Å; D15-K18 PolarHBondContact O-N 3.23Å; D15-K18 PolarHBondContact OD1-N 2.91Å; D15-K18 VanDerWaalsContact OD1-N 3.07Å; D15-K18 WeakPolarHBondContact OD2-CD 3.17Å; D15-K18 VanDerWaalsContact OD2-CE 3.29Å; D15-K18 WeakPolarHBondContact OD2-CE 3.46Å; D15-K18 VanDerWaalsContact OD2-CG 3.24Å; D15-K18 WeakPolarHBondContact OD2-CG 3.39Å; D15-K18 IonicContact OD2-NZ 3.51Å; K18-T21 PolarHBondContact O-N 3.18Å; K18-F22 PolarHBondContact O-N 3.11Å; K18-P120 HydrophobicContact CB-CB 4.33Å; K18-P120 HydrophobicContact CB-CG 3.73Å
19T97.6Very high97.2Very high3 Ų323 Ų232%0.01812%0.118CC..Hα-helixtrans-61.5-46.8175.2-67.10000110.6V13 D15 R17 T21 F22 Y23 L71V13-T19 HydrophobicContact CB-CG2 4.31Å; V13-T19 HydrophobicContact CG1-CG2 3.86Å; D15-T19 VanDerWaalsContact O-CB 3.29Å; D15-T19 WeakPolarHBondContact O-CB 3.39Å; D15-T19 PolarHBondContact O-N 2.76Å; D15-T19 PolarHBondContact O-OG1 2.88Å; R17-T19 VanDerWaalsContact C-N 3.27Å; R17-T19 PolarHBondContact O-N 3.47Å; T19-T21 VanDerWaalsContact C-N 3.3Å; T19-T21 PolarHBondContact O-N 3.14Å; T19-F22 PolarHBondContact O-N 2.79Å; T19-F22 VanDerWaalsContact O-N 3.14Å; T19-Y23 HydrophobicContact CG2-CD2 3.64Å; T19-Y23 HydrophobicContact CG2-CE2 3.72Å; T19-Y23 WeakPolarHBondContact O-CD2 3.37Å; T19-Y23 PolarHBondContact O-N 3.17Å; T19-L71 HydrophobicContact CG2-CD1 3.63Å; T19-L71 HydrophobicContact CG2-CD2 4.19Å; T19-L71 HydrophobicContact CG2-CG 4.43Å
20A97Very high97.1Very high6 Ų628.3 Ų28.35%0.0514%0.141CC..Hα-helixtrans-57.5-43.2176.300000111.8R16 R17 R24 L274 M278R16-A20 WeakPolarHBondContact O-CB 3.33Å; R16-A20 PolarHBondContact O-N 3.05Å; R17-A20 PolarHBondContact O-N 3.05Å; A20-R24 WeakPolarHBondContact O-CB 3.36Å; A20-R24 PolarHBondContact O-N 3.34Å; A20-L274 HydrophobicContact CB-CD2 4.33Å; A20-M278 HydrophobicContact CB-CE 4.26Å; A20-M278 HydrophobicContact CB-SD 4.16Å
21T98.1Very high97.1Very high52 Ų5227.9 Ų27.932%0.31914%0.138SC..Iπ-helixtrans-60.8-44.4174.5-65.60000112.7R17 K18 T19 D25 V26 W105R17-T21 PolarHBondContact O-N 2.81Å; R17-T21 VanDerWaalsContact O-N 3.08Å; R17-T21 PolarHBondContact O-OG1 3.44Å; K18-T21 PolarHBondContact O-N 3.18Å; T19-T21 VanDerWaalsContact C-N 3.3Å; T19-T21 PolarHBondContact O-N 3.14Å; T21-D25 WeakPolarHBondContact CA-OD2 3.13Å; T21-D25 HydrophobicContact CG2-CB 4.28Å; T21-D25 WeakPolarHBondContact O-CA 3.25Å; T21-D25 VanDerWaalsContact O-CB 3.28Å; T21-D25 WeakPolarHBondContact O-CB 3.38Å; T21-D25 PolarHBondContact O-N 3.45Å; T21-V26 PolarHBondContact O-N 2.87Å; T21-W105 HydrophobicContact CG2-CZ3 4.16Å
22F98.8Very high97.1Very high0 Ų028 Ų280%014%0.139CC..Iπ-helixtrans-60.2-55.9177.6-179.4-107.5000111.8K18 T19 V26 L27 W105 A117 A119 F125K18-F22 PolarHBondContact O-N 3.11Å; T19-F22 PolarHBondContact O-N 2.79Å; T19-F22 VanDerWaalsContact O-N 3.14Å; F22-V26 HydrophobicContact CD2-CB 4.16Å; F22-V26 HydrophobicContact CD2-CG1 4.28Å; F22-V26 HydrophobicContact CD2-CG2 4.43Å; F22-V26 HydrophobicContact CE2-CG1 4.36Å; F22-V26 WeakPolarHBondContact O-CA 3.23Å; F22-V26 VanDerWaalsContact O-CB 3.22Å; F22-V26 WeakPolarHBondContact O-CB 3.17Å; F22-V26 PolarHBondContact O-N 2.76Å; F22-L27 HydrophobicContact CD1-CD1 4.13Å; F22-L27 HydrophobicContact CD1-CG 4.3Å; F22-L27 HydrophobicContact CE1-CD1 3.56Å; F22-L27 HydrophobicContact CE1-CD2 4.25Å; F22-L27 HydrophobicContact CE1-CG 3.91Å; F22-L27 HydrophobicContact CE2-CD2 4.23Å; F22-L27 HydrophobicContact CE2-CG 4.46Å; F22-L27 HydrophobicContact CZ-CD1 4.03Å; F22-L27 HydrophobicContact CZ-CD2 3.86Å; F22-L27 HydrophobicContact CZ-CG 4.02Å; F22-L27 PolarHBondContact O-N 3.32Å; F22-W105 HydrophobicContact CB-CH2 3.61Å; F22-W105 HydrophobicContact CB-CZ2 3.83Å; F22-W105 HydrophobicContact CB-CZ3 4.2Å; F22-W105 HydrophobicContact CD2-CD2 4.07Å; F22-W105 AromaticContact CD2-CE2 3.37Å; F22-W105 AromaticContact CD2-CH2 3.97Å; F22-W105 HydrophobicContact CD2-CH2 3.97Å; F22-W105 AromaticContact CD2-CZ2 3.33Å; F22-W105 HydrophobicContact CD2-CZ2 3.33Å; F22-W105 AromaticContact CD2-NE1 3.6Å; F22-W105 AromaticContact CE2-CE2 3.95Å; F22-W105 HydrophobicContact CE2-CZ2 4.19Å; F22-W105 AromaticContact CE2-NE1 3.67Å; F22-W105 HydrophobicContact CG-CH2 4.2Å; F22-W105 AromaticContact CG-CZ2 3.89Å; F22-W105 HydrophobicContact CG-CZ2 3.89Å; F22-A117 HydrophobicContact CE2-CB 4.15Å; F22-A117 HydrophobicContact CZ-CB 4.48Å; F22-A119 HydrophobicContact CD1-CB 3.49Å; F22-A119 VanDerWaalsContact CD1-CB 3.49Å; F22-A119 HydrophobicContact CE1-CB 3.34Å; F22-A119 HydrophobicContact CG-CB 4.14Å; F22-A119 HydrophobicContact CZ-CB 3.89Å; F22-F125 HydrophobicContact CE1-CD1 4.3Å; F22-F125 AromaticContact CE1-CD2 3.71Å; F22-F125 HydrophobicContact CE1-CD2 3.71Å; F22-F125 HydrophobicContact CE1-CE1 4.39Å; F22-F125 AromaticContact CE1-CE2 3.84Å; F22-F125 HydrophobicContact CE1-CE2 3.84Å; F22-F125 AromaticContact CE1-CG 3.98Å; F22-F125 HydrophobicContact CE1-CG 3.98Å; F22-F125 HydrophobicContact CE1-CZ 4.19Å; F22-F125 HydrophobicContact CZ-CB 4.06Å; F22-F125 HydrophobicContact CZ-CD1 4.41Å; F22-F125 AromaticContact CZ-CD2 3.77Å; F22-F125 HydrophobicContact CZ-CD2 3.77Å; F22-F125 HydrophobicContact CZ-CE2 4.37Å; F22-F125 AromaticContact CZ-CG 3.81Å; F22-F125 HydrophobicContact CZ-CG 3.81Å
23Y98.7Very high97.1Very high3 Ų327.6 Ų27.61%0.01214%0.137CC..Iπ-helixtrans-71-40.7-174-74.4-92.2000112.2T19 L27 G28 M29 V58 A69 L71 A119 F125T19-Y23 HydrophobicContact CG2-CD2 3.64Å; T19-Y23 HydrophobicContact CG2-CE2 3.72Å; T19-Y23 WeakPolarHBondContact O-CD2 3.37Å; T19-Y23 PolarHBondContact O-N 3.17Å; Y23-L27 HydrophobicContact CD1-CD1 4.01Å; Y23-L27 HydrophobicContact CE1-CD1 4.35Å; Y23-L27 WeakPolarHBondContact O-CB 3.25Å; Y23-G28 PolarHBondContact O-N 2.87Å; Y23-M29 HydrophobicContact CD1-SD 3.74Å; Y23-M29 HydrophobicContact CE1-SD 4.48Å; Y23-M29 VanDerWaalsContact O-CB 3.29Å; Y23-M29 WeakPolarHBondContact O-CB 3.37Å; Y23-M29 PolarHBondContact O-N 3.07Å; Y23-V58 HydrophobicContact CD1-CG1 3.56Å; Y23-V58 HydrophobicContact CD1-CG2 4.46Å; Y23-V58 HydrophobicContact CE1-CG1 4.15Å; Y23-V58 HydrophobicContact CG-CG1 3.89Å; Y23-V58 HydrophobicContact CG-CG2 4.47Å; Y23-A69 HydrophobicContact CD1-CB 4.37Å; Y23-A69 HydrophobicContact CE1-CB 3.7Å; Y23-L71 HydrophobicContact CD2-CD1 4.17Å; Y23-L71 HydrophobicContact CD2-CD2 4.21Å; Y23-L71 HydrophobicContact CE1-CD2 4.23Å; Y23-L71 HydrophobicContact CE2-CD1 4.43Å; Y23-L71 HydrophobicContact CE2-CD2 3.67Å; Y23-A119 HydrophobicContact CE2-CB 4.43Å; Y23-F125 HydrophobicContact CE1-CE1 4.17Å; Y23-F125 AromaticContact CE1-CZ 3.73Å; Y23-F125 HydrophobicContact CE1-CZ 3.73Å; Y23-F125 AromaticContact CZ-CZ 3.77Å; Y23-F125 VanDerWaalsContact OH-CZ 3.3Å; Y23-F125 WeakPolarHBondContact OH-CZ 3.33Å
24R97.6Very high97.1Very high68 Ų6828.2 Ų28.226%0.25714%0.139SC..Iπ-helixtrans-81.4-51.2-177.5-172.417561.1-154.4-3.8112.9A20 G28 M29 D275A20-R24 WeakPolarHBondContact O-CB 3.36Å; A20-R24 PolarHBondContact O-N 3.34Å; R24-G28 WeakPolarHBondContact O-CA 3.15Å; R24-G28 PolarHBondContact O-N 3.01Å; R24-M29 WeakPolarHBondContact CA-O 3.22Å; R24-D275 IonicContact NH1-OD1 2.72Å; R24-D275 PolarHBondContact NH1-OD1 3.05Å; R24-D275 IonicContact NH1-OD2 3.26Å
25D98.2Very high97.2Very high53 Ų5328.5 Ų28.528%0.28314%0.139SC..Iπ-helixtrans-94.5-35.2-165.9-47.9-35.7000111.6T21 N99 L103T21-D25 WeakPolarHBondContact CA-OD2 3.13Å; T21-D25 HydrophobicContact CG2-CB 4.28Å; T21-D25 WeakPolarHBondContact O-CA 3.25Å; T21-D25 VanDerWaalsContact O-CB 3.28Å; T21-D25 WeakPolarHBondContact O-CB 3.38Å; T21-D25 PolarHBondContact O-N 3.45Å; D25-N99 WeakPolarHBondContact O-CB 3.45Å; D25-N99 PolarHBondContact O-ND2 3.27Å; D25-L103 HydrophobicContact CB-CD1 3.83Å; D25-L103 WeakPolarHBondContact O-CD1 3.44Å
26V98.7Very high97.3Very high0 Ų030 Ų300%015%0.145CC..Iπ-helixtrans-81.5-62.6175.1-177.90000110.4T21 F22 G28 A96 N99 A100 L103 W105T21-V26 PolarHBondContact O-N 2.87Å; F22-V26 HydrophobicContact CD2-CB 4.16Å; F22-V26 HydrophobicContact CD2-CG1 4.28Å; F22-V26 HydrophobicContact CD2-CG2 4.43Å; F22-V26 HydrophobicContact CE2-CG1 4.36Å; F22-V26 WeakPolarHBondContact O-CA 3.23Å; F22-V26 VanDerWaalsContact O-CB 3.22Å; F22-V26 WeakPolarHBondContact O-CB 3.17Å; F22-V26 PolarHBondContact O-N 2.76Å; V26-G28 VanDerWaalsContact C-N 3.31Å; V26-G28 PolarHBondContact O-N 3.48Å; V26-A96 WeakPolarHBondContact O-CA 3.09Å; V26-N99 WeakPolarHBondContact O-CB 3.36Å; V26-N99 PolarHBondContact O-ND2 2.9Å; V26-A100 HydrophobicContact CG1-CB 3.69Å; V26-L103 HydrophobicContact CG2-CD1 3.84Å; V26-W105 HydrophobicContact CG1-CB 4.32Å; V26-W105 HydrophobicContact CG1-CG 4.24Å; V26-W105 HydrophobicContact CG2-CB 3.99Å; V26-W105 HydrophobicContact CG2-CD2 3.71Å; V26-W105 HydrophobicContact CG2-CE3 3.5Å; V26-W105 VanDerWaalsContact CG2-CE3 3.5Å; V26-W105 HydrophobicContact CG2-CG 3.92Å; V26-W105 HydrophobicContact CG2-CZ3 4.22Å
27L98.8Very high97.3Very high0 Ų030.7 Ų30.70%015%0.148CC..SBendtrans-72.3-25.4-175.9-58.2-172.1000113.2F22 Y23 M29 F60 L91 A96 F125 L127F22-L27 HydrophobicContact CD1-CD1 4.13Å; F22-L27 HydrophobicContact CD1-CG 4.3Å; F22-L27 HydrophobicContact CE1-CD1 3.56Å; F22-L27 HydrophobicContact CE1-CD2 4.25Å; F22-L27 HydrophobicContact CE1-CG 3.91Å; F22-L27 HydrophobicContact CE2-CD2 4.23Å; F22-L27 HydrophobicContact CE2-CG 4.46Å; F22-L27 HydrophobicContact CZ-CD1 4.03Å; F22-L27 HydrophobicContact CZ-CD2 3.86Å; F22-L27 HydrophobicContact CZ-CG 4.02Å; F22-L27 PolarHBondContact O-N 3.32Å; Y23-L27 HydrophobicContact CD1-CD1 4.01Å; Y23-L27 HydrophobicContact CE1-CD1 4.35Å; Y23-L27 WeakPolarHBondContact O-CB 3.25Å; L27-M29 HydrophobicContact CB-CG 4.12Å; L27-M29 HydrophobicContact CD1-CE 3.99Å; L27-M29 HydrophobicContact CD1-SD 4.22Å; L27-F60 WeakPolarHBondContact O-CE1 3.31Å; L27-L91 HydrophobicContact CD1-CD2 4.12Å; L27-L91 HydrophobicContact CD2-CD2 4.2Å; L27-A96 HydrophobicContact CD2-CB 4.46Å; L27-F125 HydrophobicContact CD1-CD1 3.85Å; L27-F125 HydrophobicContact CD1-CE1 3.84Å; L27-L127 HydrophobicContact CD2-CD2 3.78Å
28G98.3Very high97.2Very high34 Ų3432.5 Ų32.535%0.35116%0.161SC..  trans79.820.7-175.900000113.7Y23 R24 V26Y23-G28 PolarHBondContact O-N 2.87Å; R24-G28 WeakPolarHBondContact O-CA 3.15Å; R24-G28 PolarHBondContact O-N 3.01Å; V26-G28 VanDerWaalsContact C-N 3.31Å; V26-G28 PolarHBondContact O-N 3.48Å
29M98.5Very high96.9Very high6 Ų635.8 Ų35.83%0.0318%0.178CC..  trans-78.1164.3175.5-64.6-177.517300111.7Y23 R24 L27 V58 G59 F60 L91 V138Y23-M29 HydrophobicContact CD1-SD 3.74Å; Y23-M29 HydrophobicContact CE1-SD 4.48Å; Y23-M29 VanDerWaalsContact O-CB 3.29Å; Y23-M29 WeakPolarHBondContact O-CB 3.37Å; Y23-M29 PolarHBondContact O-N 3.07Å; R24-M29 WeakPolarHBondContact CA-O 3.22Å; L27-M29 HydrophobicContact CB-CG 4.12Å; L27-M29 HydrophobicContact CD1-CE 3.99Å; L27-M29 HydrophobicContact CD1-SD 4.22Å; M29-V58 HydrophobicContact CB-CG2 3.52Å; M29-V58 HydrophobicContact CG-CG2 4.49Å; M29-V58 HydrophobicContact SD-CG2 4.2Å; M29-G59 WeakPolarHBondContact CA-O 3.36Å; M29-G59 WeakPolarHBondContact CB-O 3.32Å; M29-F60 HydrophobicContact CE-CD2 3.97Å; M29-F60 HydrophobicContact CE-CE2 3.4Å; M29-F60 VanDerWaalsContact CE-CE2 3.4Å; M29-F60 HydrophobicContact CE-CZ 3.96Å; M29-F60 HydrophobicContact CG-CD1 4.2Å; M29-F60 HydrophobicContact CG-CD2 4.23Å; M29-F60 HydrophobicContact CG-CE1 3.92Å; M29-F60 HydrophobicContact CG-CE2 3.96Å; M29-F60 HydrophobicContact CG-CG 4.35Å; M29-F60 HydrophobicContact CG-CZ 3.79Å; M29-L91 HydrophobicContact CE-CD2 4.19Å; M29-V138 HydrophobicContact CE-CG2 4.32Å
30K97.3Very high96.3Very high118 Ų11836.9 Ų36.951%0.51319%0.19SC..EExtended strand (participates in β ladder)trans-111.6142177.4-62.8173.9-175.6168.30110.1L32 V58 G59K30-L32 HydrophobicContact CB-CD2 4.39Å; K30-L32 PolarHBondContact O-N 2.77Å; K30-V58 WeakPolarHBondContact O-CA 3.23Å; K30-V58 WeakPolarHBondContact O-CG2 3.41Å; K30-G59 PolarHBondContact N-O 3Å; K30-G59 PolarHBondContact O-N 2.85Å; K30-G59 VanDerWaalsContact O-N 3.1Å
31I98.3Very high95.7Very high3 Ų338 Ų382%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-67.1118.9165.8-53.4-53000107.8T56 V58 G270 N271 L274I31-T56 HydrophobicContact CD1-CG2 3.93Å; I31-T56 HydrophobicContact CG2-CG2 3.82Å; I31-V58 HydrophobicContact CD1-CB 4.16Å; I31-V58 HydrophobicContact CD1-CG2 3.98Å; I31-G270 WeakPolarHBondContact CG2-O 3.43Å; I31-N271 WeakPolarHBondContact CG1-OD1 3.43Å; I31-L274 HydrophobicContact CD1-CD2 3.64Å; I31-L274 HydrophobicContact CG1-CD2 3.86Å
32L98.3Very high95Very high1 Ų143 Ų431%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-89.3-41.7-176.5-52.1179.5000110.6K30 M57 G61 E63 A68 M266 D267K30-L32 HydrophobicContact CB-CD2 4.39Å; K30-L32 PolarHBondContact O-N 2.77Å; L32-M57 HydrophobicContact CB-CB 4.07Å; L32-M57 PolarHBondContact N-O 3.21Å; L32-G61 VanDerWaalsContact CD1-O 3.3Å; L32-G61 WeakPolarHBondContact CD1-O 3.25Å; L32-G61 VanDerWaalsContact CD2-O 3.31Å; L32-G61 WeakPolarHBondContact CD2-O 3.5Å; L32-E63 HydrophobicContact CD1-CG 3.73Å; L32-A68 HydrophobicContact CD1-CB 4.07Å; L32-M266 HydrophobicContact CD2-CE 4.36Å; L32-M266 HydrophobicContact CD2-SD 4.32Å; L32-M266 CarbonylContact O-C 3.56Å; L32-M266 WeakPolarHBondContact O-CA 3.31Å; L32-D267 PolarHBondContact O-N 2.77Å
33R97.9Very high94.3Very high4 Ų443 Ų432%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-163.6156.5174.354.7-175178.382.61.2109.9E35 M57 E63 D267R33-E35 VanDerWaalsContact CD-OE1 3.26Å; R33-E35 WeakPolarHBondContact CD-OE1 3.43Å; R33-E35 WeakPolarHBondContact CG-OE1 3.21Å; R33-E35 IonicContact CZ-OE1 3.62Å; R33-E35 IonicContact NE-OE1 2.87Å; R33-E35 VanDerWaalsContact NH1-CD 3.27Å; R33-E35 IonicContact NH1-OE1 3.14Å; R33-E35 PolarHBondContact NH1-OE1 3.24Å; R33-E35 IonicContact NH1-OE2 3.55Å; R33-E35 PolarHBondContact NH1-OE2 3.46Å; R33-M57 HydrophobicContact CG-CB 3.8Å; R33-M57 HydrophobicContact CG-CG 3.54Å; R33-M57 VanDerWaalsContact NH2-CG 3.26Å; R33-M57 PolarHBondContact NH2-SD 3.34Å; R33-M57 PolarHBondContact O-N 2.99Å; R33-E63 WeakPolarHBondContact CD-OE1 3.19Å; R33-E63 IonicContact CZ-OE1 2.78Å; R33-E63 IonicContact CZ-OE2 3.29Å; R33-E63 IonicContact NE-OE1 3Å; R33-E63 PolarHBondContact NE-OE1 3.48Å; R33-E63 IonicContact NE-OE2 2.72Å; R33-E63 PolarHBondContact NE-OE2 2.82Å; R33-E63 IonicContact NH2-OE1 2.81Å; R33-E63 IonicContact NH2-OE2 3.67Å; R33-E63 PolarHBondContact NH2-OE2 3.12Å; R33-D267 HydrophobicContact CB-CB 4.32Å
34H97.7Very high93.7Very high17 Ų1745.8 Ų45.88%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-138.1132.8178.917675.9000109.7E36 K55 T56 L273 A277H34-E36 IonicContact CE1-OE1 3.77Å; H34-E36 IonicContact NE2-OE1 3.61Å; H34-E36 PolarHBondContact NE2-OE1 3Å; H34-K55 CarbonylContact C-O 3.52Å; H34-K55 WeakPolarHBondContact CA-O 3.35Å; H34-K55 PolarHBondContact ND1-O 2.98Å; H34-T56 PolarHBondContact ND1-OG1 3.41Å; H34-L273 HydrophobicContact CB-CB 4.15Å; H34-A277 WeakPolarHBondContact NE2-CB 3.35Å
35E96.1Very high92.8Very high14 Ų1443.6 Ų43.67%0.06523%0.226CC..EExtended strand (participates in β ladder)trans-131.8140.4178.7-57.794-17000111.1R33 F37 S54 K55 T233 K236R33-E35 VanDerWaalsContact CD-OE1 3.26Å; R33-E35 WeakPolarHBondContact CD-OE1 3.43Å; R33-E35 WeakPolarHBondContact CG-OE1 3.21Å; R33-E35 IonicContact CZ-OE1 3.62Å; R33-E35 IonicContact NE-OE1 2.87Å; R33-E35 VanDerWaalsContact NH1-CD 3.27Å; R33-E35 IonicContact NH1-OE1 3.14Å; R33-E35 PolarHBondContact NH1-OE1 3.24Å; R33-E35 IonicContact NH1-OE2 3.55Å; R33-E35 PolarHBondContact NH1-OE2 3.46Å; E35-F37 HydrophobicContact CB-CD2 4.38Å; E35-F37 HydrophobicContact CB-CE2 3.52Å; E35-F37 HydrophobicContact CB-CZ 3.77Å; E35-F37 HydrophobicContact CG-CZ 4.49Å; E35-S54 CarbonylContact O-C 3.59Å; E35-S54 VanDerWaalsContact O-CA 3.23Å; E35-S54 WeakPolarHBondContact O-CA 3.45Å; E35-S54 WeakPolarHBondContact O-CB 3.16Å; E35-K55 PolarHBondContact N-O 2.85Å; E35-K55 PolarHBondContact O-N 2.91Å; E35-T233 HydrophobicContact CG-CG2 4Å; E35-K236 IonicContact OE1-NZ 2.96Å; E35-K236 PolarHBondContact OE1-NZ 3Å
36E95.2Very high92.2Very high54 Ų5441.1 Ų41.125%0.25221%0.213SC..EExtended strand (participates in β ladder)trans-111.2136.6173.9-73-76.1161.300109.4R16 H34 K52 S54 Y75R16-E36 IonicContact NH2-OE1 2.79Å; H34-E36 IonicContact CE1-OE1 3.77Å; H34-E36 IonicContact NE2-OE1 3.61Å; H34-E36 PolarHBondContact NE2-OE1 3Å; E36-K52 VanDerWaalsContact OE2-CE 3.23Å; E36-K52 WeakPolarHBondContact OE2-CE 3.43Å; E36-S54 WeakPolarHBondContact OE1-CB 3.49Å; E36-Y75 PolarHBondContact OE1-OH 2.91Å; E36-Y75 VanDerWaalsContact OE2-CE2 3.24Å; E36-Y75 WeakPolarHBondContact OE2-CE2 3.29Å; E36-Y75 PolarHBondContact OE2-OH 3.17Å
37F93.8Very high91.6Very high24 Ų2441.5 Ų41.511%0.10522%0.217CC..EExtended strand (participates in β ladder)trans-128.8130.9-176.7-60-93.3000109.8E35 K52 W53 K55 T233E35-F37 HydrophobicContact CB-CD2 4.38Å; E35-F37 HydrophobicContact CB-CE2 3.52Å; E35-F37 HydrophobicContact CB-CZ 3.77Å; E35-F37 HydrophobicContact CG-CZ 4.49Å; F37-K52 WeakPolarHBondContact O-CA 3.45Å; F37-K52 VanDerWaalsContact O-CG 3.3Å; F37-K52 WeakPolarHBondContact O-CG 3.26Å; F37-W53 HydrophobicContact CB-CD2 4.18Å; F37-W53 HydrophobicContact CB-CG 4.22Å; F37-W53 HydrophobicContact CB-CZ2 4.13Å; F37-W53 VanDerWaalsContact CB-NE1 3.27Å; F37-W53 HydrophobicContact CD1-CZ2 4.02Å; F37-W53 AromaticContact CD2-CD2 3.92Å; F37-W53 HydrophobicContact CD2-CD2 3.92Å; F37-W53 AromaticContact CD2-CE2 3.62Å; F37-W53 HydrophobicContact CD2-CE3 4.13Å; F37-W53 AromaticContact CD2-CH2 3.83Å; F37-W53 HydrophobicContact CD2-CH2 3.83Å; F37-W53 AromaticContact CD2-CZ2 3.56Å; F37-W53 HydrophobicContact CD2-CZ2 3.56Å; F37-W53 HydrophobicContact CD2-CZ3 4.12Å; F37-W53 HydrophobicContact CE1-CZ2 4.3Å; F37-W53 AromaticContact CE2-CH2 3.75Å; F37-W53 HydrophobicContact CE2-CH2 3.75Å; F37-W53 AromaticContact CE2-CZ2 3.88Å; F37-W53 HydrophobicContact CE2-CZ2 3.88Å; F37-W53 HydrophobicContact CE2-CZ3 4.12Å; F37-W53 HydrophobicContact CG-CD2 4.29Å; F37-W53 AromaticContact CG-CE2 3.63Å; F37-W53 HydrophobicContact CG-CH2 4.35Å; F37-W53 AromaticContact CG-CZ2 3.64Å; F37-W53 HydrophobicContact CG-CZ2 3.64Å; F37-W53 AromaticContact CG-NE1 3.81Å; F37-W53 HydrophobicContact CZ-CH2 4.2Å; F37-W53 HydrophobicContact CZ-CZ2 4.24Å; F37-W53 PolarHBondContact N-O 2.89Å; F37-W53 PolarHBondContact O-N 2.93Å; F37-K55 HydrophobicContact CE2-CB 3.83Å; F37-T233 HydrophobicContact CE1-CG2 4.33Å; F37-T233 HydrophobicContact CZ-CG2 4.14Å
38E91.7Very high91Very high132 Ų13246.7 Ų46.762%0.61725%0.251SS*.SBendtrans-84.1-19-178.7-62.1-61.3153.200113.2K52E38-K52 IonicContact OE1-NZ 2.69Å; E38-K52 PolarHBondContact OE1-NZ 2.86Å; E38-K52 IonicContact OE2-NZ 3.96Å
39E88.6Confident90.5Very high159 Ų15948 Ų4874%0.74325%0.246SC*.SBendtrans-127.9153.6-178.7-63-179.3-178.400111.4W53E39-W53 PolarHBondContact O-NE1 3.41Å
40G85Confident89.8Confident27 Ų2754.9 Ų54.928%0.27828%0.283SS..  trans-57.1150.1174.800000113.3D50G40-D50 PolarHBondContact N-O 3.44Å
41C84.9Confident89.3Confident29 Ų2950.8 Ų50.820%0.19627%0.274CS..  trans-76.3134.4-176.4-173.20000112.2A43 T44 C45 N46 W53C41-A43 PolarHBondContact O-N 2.82Å; C41-T44 WeakPolarHBondContact O-CA 3.48Å; C41-T44 PolarHBondContact O-N 3.02Å; C41-C45 HydrophobicContact CB-CB 3.95Å; C41-C45 PolarHBondContact SG-SG 2.61Å; C41-N46 WeakPolarHBondContact CB-OD1 3.15Å; C41-N46 PolarHBondContact N-OD1 2.95Å; C41-W53 HydrophobicContact CB-CH2 4.38Å; C41-W53 HydrophobicContact CB-CZ2 3.75Å
42K83.5Confident89.1Confident156 Ų15654 Ų5468%0.67829%0.287SS*.THydrogen-bonded Turntrans-57.9-29.9177.1-65.5178.4-176.91700114.2I229 L231K42-I229 HydrophobicContact CB-CD1 4.39Å; K42-L231 HydrophobicContact CB-CD2 4.16Å
43A82.8Confident88.9Confident0 Ų054.1 Ų54.10%029%0.288CS..THydrogen-bonded Turntrans-101.623.9175.800000112.9C41 C45 R200 T226 L231 V241 I243C41-A43 PolarHBondContact O-N 2.82Å; A43-C45 PolarHBondContact O-N 2.88Å; A43-R200 PolarHBondContact O-NH1 3.38Å; A43-R200 PolarHBondContact O-NH2 2.69Å; A43-T226 HydrophobicContact CB-CG2 4.4Å; A43-L231 HydrophobicContact CB-CD1 3.73Å; A43-L231 HydrophobicContact CB-CD2 3.79Å; A43-L231 HydrophobicContact CB-CG 4.32Å; A43-V241 HydrophobicContact CB-CG2 4.4Å; A43-I243 HydrophobicContact CB-CG1 4.46Å
44T86.3Confident88.9Confident63 Ų6354 Ų5439%0.38729%0.288SS..  trans50.330.1177.561.10000113.8C41 N46 G47 R200C41-T44 WeakPolarHBondContact O-CA 3.48Å; C41-T44 PolarHBondContact O-N 3.02Å; T44-N46 PolarHBondContact O-N 2.89Å; T44-N46 VanDerWaalsContact O-N 3.13Å; T44-G47 WeakPolarHBondContact O-CA 3.37Å; T44-G47 PolarHBondContact O-N 3.33Å; T44-R200 PolarHBondContact O-NH2 2.84Å; T44-R200 PolarHBondContact OG1-NH2 3.06Å
45C79.3Confident88.9Confident21 Ų2154.6 Ų54.614%0.14229%0.29CS..THydrogen-bonded Turntrans-57.8-30.1179.8-63.80000112.3C41 A43 W53C41-C45 HydrophobicContact CB-CB 3.95Å; C41-C45 PolarHBondContact SG-SG 2.61Å; A43-C45 PolarHBondContact O-N 2.88Å; C45-W53 HydrophobicContact CB-CH2 4.36Å
46N86.3Confident89Confident1 Ų154.1 Ų54.11%0.00529%0.288CS..THydrogen-bonded Turntrans-89.8-1.2176.769.5-58.3000114C41 T44 Y49 W53 T72 N74C41-N46 WeakPolarHBondContact CB-OD1 3.15Å; C41-N46 PolarHBondContact N-OD1 2.95Å; T44-N46 PolarHBondContact O-N 2.89Å; T44-N46 VanDerWaalsContact O-N 3.13Å; N46-Y49 PolarHBondContact ND2-O 2.96Å; N46-Y49 VanDerWaalsContact O-CD2 3.24Å; N46-Y49 WeakPolarHBondContact O-CD2 3.43Å; N46-W53 HydrophobicContact CB-CB 4.27Å; N46-W53 HydrophobicContact CB-CD2 3.49Å; N46-W53 VanDerWaalsContact CB-CD2 3.49Å; N46-W53 HydrophobicContact CB-CE3 3.6Å; N46-W53 HydrophobicContact CB-CG 3.78Å; N46-W53 HydrophobicContact CB-CZ2 4.45Å; N46-W53 HydrophobicContact CB-CZ3 4.1Å; N46-T72 HydrophobicContact CB-CG2 3.77Å; N46-N74 WeakPolarHBondContact CB-OD1 3.23Å; N46-N74 PolarHBondContact ND2-OD1 3.33Å; N46-N74 PolarHBondContact O-ND2 3.06Å; N46-N74 PolarHBondContact O-OD1 3.19Å
47G85.4Confident89.1Confident8 Ų851.6 Ų51.68%0.08228%0.276CS..  trans96.5-162.6-172.100000112.6T44 Y49T44-G47 WeakPolarHBondContact O-CA 3.37Å; T44-G47 PolarHBondContact O-N 3.33Å; G47-Y49 PolarHBondContact O-N 2.73Å
48P86.3Confident89.4Confident110 Ų11050.4 Ų50.471%0.71427%0.271SS*.SBendtrans-78.325.3-178.835.3-38.4000113.4
49Y88.3Confident89.7Confident62 Ų6244.1 Ų44.124%0.24324%0.242CC..  trans-102.6136.1-172.7-50.2-81000111N46 G47 V77 Y80N46-Y49 PolarHBondContact ND2-O 2.96Å; N46-Y49 VanDerWaalsContact O-CD2 3.24Å; N46-Y49 WeakPolarHBondContact O-CD2 3.43Å; G47-Y49 PolarHBondContact O-N 2.73Å; Y49-V77 HydrophobicContact CD1-CG2 3.95Å; Y49-V77 HydrophobicContact CE1-CG1 4.45Å; Y49-V77 HydrophobicContact CE1-CG2 3.9Å; Y49-Y80 AromaticContact CE2-CE1 3.74Å; Y49-Y80 HydrophobicContact CE2-CE1 3.74Å; Y49-Y80 AromaticContact CZ-CE1 3.74Å; Y49-Y80 VanDerWaalsContact OH-CE1 3.27Å; Y49-Y80 WeakPolarHBondContact OH-CE1 3.16Å
50D83.9Confident90.2Very high150 Ų15037.8 Ų37.880%0.80221%0.212SC*.  trans-100.6-5.3-173.759.4-11.8000114.1G40G40-D50 PolarHBondContact N-O 3.44Å
51G86.6Confident90.7Very high31 Ų3136.9 Ų36.932%0.3220%0.203SC..SBendtrans-90.7-176.4-177.200000115.4
52K92.6Very high91.3Very high70 Ų7038.3 Ų38.330%0.30421%0.212SC..  trans-54.7138173.7-171.9178.5179.4129.70111E36 F37 E38 Y75E36-K52 VanDerWaalsContact OE2-CE 3.23Å; E36-K52 WeakPolarHBondContact OE2-CE 3.43Å; F37-K52 WeakPolarHBondContact O-CA 3.45Å; F37-K52 VanDerWaalsContact O-CG 3.3Å; F37-K52 WeakPolarHBondContact O-CG 3.26Å; E38-K52 IonicContact OE1-NZ 2.69Å; E38-K52 PolarHBondContact OE1-NZ 2.86Å; E38-K52 IonicContact OE2-NZ 3.96Å; K52-Y75 HydrophobicContact CB-CD2 3.97Å; K52-Y75 HydrophobicContact CB-CG 4.31Å; K52-Y75 HydrophobicContact CD-CD2 3.97Å; K52-Y75 HydrophobicContact CD-CE1 4.47Å; K52-Y75 HydrophobicContact CD-CE2 3.88Å; K52-Y75 HydrophobicContact CD-CG 4.28Å; K52-Y75 HydrophobicContact CG-CD2 3.61Å; K52-Y75 HydrophobicContact CG-CE2 3.75Å; K52-Y75 HydrophobicContact CG-CG 4.24Å; K52-Y75 WeakPolarHBondContact O-CD2 3.48Å; K52-Y75 PolarHBondContact O-N 2.87Å
53W95.2Very high92Very high4 Ų431 Ų312%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-149.2164.1176.867.1-74.2000111F37 E39 C41 C45 N46 K55 T72 Y73F37-W53 HydrophobicContact CB-CD2 4.18Å; F37-W53 HydrophobicContact CB-CG 4.22Å; F37-W53 HydrophobicContact CB-CZ2 4.13Å; F37-W53 VanDerWaalsContact CB-NE1 3.27Å; F37-W53 HydrophobicContact CD1-CZ2 4.02Å; F37-W53 AromaticContact CD2-CD2 3.92Å; F37-W53 HydrophobicContact CD2-CD2 3.92Å; F37-W53 AromaticContact CD2-CE2 3.62Å; F37-W53 HydrophobicContact CD2-CE3 4.13Å; F37-W53 AromaticContact CD2-CH2 3.83Å; F37-W53 HydrophobicContact CD2-CH2 3.83Å; F37-W53 AromaticContact CD2-CZ2 3.56Å; F37-W53 HydrophobicContact CD2-CZ2 3.56Å; F37-W53 HydrophobicContact CD2-CZ3 4.12Å; F37-W53 HydrophobicContact CE1-CZ2 4.3Å; F37-W53 AromaticContact CE2-CH2 3.75Å; F37-W53 HydrophobicContact CE2-CH2 3.75Å; F37-W53 AromaticContact CE2-CZ2 3.88Å; F37-W53 HydrophobicContact CE2-CZ2 3.88Å; F37-W53 HydrophobicContact CE2-CZ3 4.12Å; F37-W53 HydrophobicContact CG-CD2 4.29Å; F37-W53 AromaticContact CG-CE2 3.63Å; F37-W53 HydrophobicContact CG-CH2 4.35Å; F37-W53 AromaticContact CG-CZ2 3.64Å; F37-W53 HydrophobicContact CG-CZ2 3.64Å; F37-W53 AromaticContact CG-NE1 3.81Å; F37-W53 HydrophobicContact CZ-CH2 4.2Å; F37-W53 HydrophobicContact CZ-CZ2 4.24Å; F37-W53 PolarHBondContact N-O 2.89Å; F37-W53 PolarHBondContact O-N 2.93Å; E39-W53 PolarHBondContact O-NE1 3.41Å; C41-W53 HydrophobicContact CB-CH2 4.38Å; C41-W53 HydrophobicContact CB-CZ2 3.75Å; C45-W53 HydrophobicContact CB-CH2 4.36Å; N46-W53 HydrophobicContact CB-CB 4.27Å; N46-W53 HydrophobicContact CB-CD2 3.49Å; N46-W53 VanDerWaalsContact CB-CD2 3.49Å; N46-W53 HydrophobicContact CB-CE3 3.6Å; N46-W53 HydrophobicContact CB-CG 3.78Å; N46-W53 HydrophobicContact CB-CZ2 4.45Å; N46-W53 HydrophobicContact CB-CZ3 4.1Å; W53-K55 HydrophobicContact CZ3-CB 3.9Å; W53-T72 HydrophobicContact CE3-CG2 4.08Å; W53-T72 HydrophobicContact CZ3-CG2 4.49Å; W53-Y73 CarbonylContact C-O 3.54Å; W53-Y73 WeakPolarHBondContact CA-O 3.41Å; W53-Y73 VanDerWaalsContact CB-O 3.31Å; W53-Y73 WeakPolarHBondContact CB-O 3.38Å
54S96.8Very high92.7Very high2 Ų233.5 Ų33.51%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-127.7148.4175.273.40000110.9R16 E35 E36 Y73R16-S54 PolarHBondContact NH2-OG 3.24Å; E35-S54 CarbonylContact O-C 3.59Å; E35-S54 VanDerWaalsContact O-CA 3.23Å; E35-S54 WeakPolarHBondContact O-CA 3.45Å; E35-S54 WeakPolarHBondContact O-CB 3.16Å; E36-S54 WeakPolarHBondContact OE1-CB 3.49Å; S54-Y73 PolarHBondContact N-O 3.29Å; S54-Y73 PolarHBondContact O-N 2.6Å
55K97.7Very high93.1Very high29 Ų2935.7 Ų35.713%0.12620%0.203CC..EExtended strand (participates in β ladder)trans-112.6131170.3-176178.2-70-143.40109.2H34 E35 F37 W53 M57 E70 L71H34-K55 CarbonylContact C-O 3.52Å; H34-K55 WeakPolarHBondContact CA-O 3.35Å; H34-K55 PolarHBondContact ND1-O 2.98Å; E35-K55 PolarHBondContact N-O 2.85Å; E35-K55 PolarHBondContact O-N 2.91Å; F37-K55 HydrophobicContact CE2-CB 3.83Å; W53-K55 HydrophobicContact CZ3-CB 3.9Å; K55-M57 HydrophobicContact CD-SD 4.18Å; K55-M57 HydrophobicContact CG-SD 4.13Å; K55-E70 HydrophobicContact CD-CG 4.06Å; K55-E70 VanDerWaalsContact CD-OE2 3.29Å; K55-E70 WeakPolarHBondContact CD-OE2 3.34Å; K55-E70 WeakPolarHBondContact CE-OE1 3.42Å; K55-E70 WeakPolarHBondContact CE-OE2 3.29Å; K55-E70 HydrophobicContact CG-CG 3.76Å; K55-E70 IonicContact NZ-OE1 2.73Å; K55-E70 PolarHBondContact NZ-OE1 3.5Å; K55-E70 IonicContact NZ-OE2 3.34Å; K55-E70 PolarHBondContact NZ-OE2 2.77Å; K55-L71 WeakPolarHBondContact CA-O 3.36Å
56T98.6Very high94Very high5 Ų536 Ų363%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-130.7118.7174-510000109.5I31 H34 L71 L274I31-T56 HydrophobicContact CD1-CG2 3.93Å; I31-T56 HydrophobicContact CG2-CG2 3.82Å; H34-T56 PolarHBondContact ND1-OG1 3.41Å; T56-L71 PolarHBondContact N-O 2.93Å; T56-L71 WeakPolarHBondContact O-CB 3.27Å; T56-L71 PolarHBondContact O-N 3.49Å; T56-L274 HydrophobicContact CG2-CD1 4.3Å; T56-L274 HydrophobicContact CG2-CD2 4.05Å
57M98.7Very high94.6Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-89.1132173.7-53.6-54.1-68.300109.6H8 L32 R33 K55 E63 A68 A69 E70H8-M57 HydrophobicContact CB-CE 4.06Å; L32-M57 HydrophobicContact CB-CB 4.07Å; L32-M57 PolarHBondContact N-O 3.21Å; R33-M57 HydrophobicContact CG-CB 3.8Å; R33-M57 HydrophobicContact CG-CG 3.54Å; R33-M57 VanDerWaalsContact NH2-CG 3.26Å; R33-M57 PolarHBondContact NH2-SD 3.34Å; R33-M57 PolarHBondContact O-N 2.99Å; K55-M57 HydrophobicContact CD-SD 4.18Å; K55-M57 HydrophobicContact CG-SD 4.13Å; M57-E63 WeakPolarHBondContact CB-OE1 3.4Å; M57-E63 WeakPolarHBondContact CG-OE1 3.44Å; M57-A68 HydrophobicContact CE-CB 4.22Å; M57-A69 WeakPolarHBondContact CA-O 3.15Å; M57-E70 HydrophobicContact CE-CB 3.77Å; M57-E70 HydrophobicContact CE-CG 4.36Å; M57-E70 HydrophobicContact SD-CB 3.58Å; M57-E70 VanDerWaalsContact SD-CB 3.58Å; M57-E70 HydrophobicContact SD-CG 3.58Å; M57-E70 VanDerWaalsContact SD-CG 3.58Å
58V98.8Very high95.3Very high0 Ų035.9 Ų35.90%020%0.2CC..EExtended strand (participates in β ladder)trans-137.6136-179.864.70000110.2Y23 M29 K30 I31 A69 L71Y23-V58 HydrophobicContact CD1-CG1 3.56Å; Y23-V58 HydrophobicContact CD1-CG2 4.46Å; Y23-V58 HydrophobicContact CE1-CG1 4.15Å; Y23-V58 HydrophobicContact CG-CG1 3.89Å; Y23-V58 HydrophobicContact CG-CG2 4.47Å; M29-V58 HydrophobicContact CB-CG2 3.52Å; M29-V58 HydrophobicContact CG-CG2 4.49Å; M29-V58 HydrophobicContact SD-CG2 4.2Å; K30-V58 WeakPolarHBondContact O-CA 3.23Å; K30-V58 WeakPolarHBondContact O-CG2 3.41Å; I31-V58 HydrophobicContact CD1-CB 4.16Å; I31-V58 HydrophobicContact CD1-CG2 3.98Å; V58-A69 HydrophobicContact CG1-CB 3.83Å; V58-A69 PolarHBondContact N-O 2.99Å; V58-A69 PolarHBondContact O-N 3.38Å; V58-L71 HydrophobicContact CG1-CD1 3.77Å; V58-L71 HydrophobicContact CG1-CD2 4.33Å; V58-L71 HydrophobicContact CG1-CG 3.94Å
59G98.4Very high95.9Very high0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-170.5-177.9-176.700000112.8M29 K30M29-G59 WeakPolarHBondContact CA-O 3.36Å; M29-G59 WeakPolarHBondContact CB-O 3.32Å; K30-G59 PolarHBondContact N-O 3Å; K30-G59 PolarHBondContact O-N 2.85Å; K30-G59 VanDerWaalsContact O-N 3.1Å
60F98.3Very high96.4Very high25 Ų2528 Ų2811%0.1116%0.156CC..SBendtrans-84-17.9179.9-69.7-73.2000113.6L27 M29 L91 P137 V138L27-F60 WeakPolarHBondContact O-CE1 3.31Å; M29-F60 HydrophobicContact CE-CD2 3.97Å; M29-F60 HydrophobicContact CE-CE2 3.4Å; M29-F60 VanDerWaalsContact CE-CE2 3.4Å; M29-F60 HydrophobicContact CE-CZ 3.96Å; M29-F60 HydrophobicContact CG-CD1 4.2Å; M29-F60 HydrophobicContact CG-CD2 4.23Å; M29-F60 HydrophobicContact CG-CE1 3.92Å; M29-F60 HydrophobicContact CG-CE2 3.96Å; M29-F60 HydrophobicContact CG-CG 4.35Å; M29-F60 HydrophobicContact CG-CZ 3.79Å; F60-L91 HydrophobicContact CE2-CD2 4.18Å; F60-L91 HydrophobicContact CZ-CD1 4.24Å; F60-L91 HydrophobicContact CZ-CD2 4.3Å; F60-P137 HydrophobicContact CB-CG 4.01Å; F60-P137 HydrophobicContact CD1-CG 4.1Å; F60-P137 HydrophobicContact CD2-CB 3.79Å; F60-P137 HydrophobicContact CD2-CG 3.76Å; F60-P137 HydrophobicContact CE2-CB 3.85Å; F60-P137 HydrophobicContact CE2-CG 4.24Å; F60-P137 HydrophobicContact CG-CB 4.22Å; F60-P137 HydrophobicContact CG-CG 3.68Å; F60-P137 HydrophobicContact CZ-CB 4.34Å; F60-V138 HydrophobicContact CD2-CG2 4.02Å; F60-V138 HydrophobicContact CE2-CG2 4.09Å
61G97.1Very high97.1Very high9 Ų921.3 Ų21.39%0.09312%0.12CC..SBendtrans-161.5-172.5179.300000112.6L32L32-G61 VanDerWaalsContact CD1-O 3.3Å; L32-G61 WeakPolarHBondContact CD1-O 3.25Å; L32-G61 VanDerWaalsContact CD2-O 3.31Å; L32-G61 WeakPolarHBondContact CD2-O 3.5Å
62P97.6Very high97.6Very high58 Ų5819.9 Ų19.938%0.37711%0.105SC..  trans-56.2145.9-179.6-24.135.1000113.2D64 D65 H66P62-D64 PolarHBondContact O-N 3.22Å; P62-D65 PolarHBondContact O-N 3.07Å; P62-H66 WeakPolarHBondContact O-CB 3.25Å; P62-H66 PolarHBondContact O-N 3.27Å; P62-H66 PolarHBondContact O-ND1 2.69Å
63E98.3Very high97.8Very high3 Ų316.6 Ų16.61%0.0149%0.091CC..THydrogen-bonded Turntrans-66-9.1178.9-70.1171.3-119.300113.5R5 L32 R33 M57 D65 A68 S264R5-E63 PolarHBondContact NH1-O 3.4Å; L32-E63 HydrophobicContact CD1-CG 3.73Å; R33-E63 WeakPolarHBondContact CD-OE1 3.19Å; R33-E63 IonicContact CZ-OE1 2.78Å; R33-E63 IonicContact CZ-OE2 3.29Å; R33-E63 IonicContact NE-OE1 3Å; R33-E63 PolarHBondContact NE-OE1 3.48Å; R33-E63 IonicContact NE-OE2 2.72Å; R33-E63 PolarHBondContact NE-OE2 2.82Å; R33-E63 IonicContact NH2-OE1 2.81Å; R33-E63 IonicContact NH2-OE2 3.67Å; R33-E63 PolarHBondContact NH2-OE2 3.12Å; M57-E63 WeakPolarHBondContact CB-OE1 3.4Å; M57-E63 WeakPolarHBondContact CG-OE1 3.44Å; E63-D65 VanDerWaalsContact C-N 3.34Å; E63-A68 HydrophobicContact CG-CB 4.29Å; E63-S264 WeakPolarHBondContact OE2-CB 3.34Å
64D96.6Very high97.9Very high52 Ų5216.6 Ų16.628%0.2789%0.091SC..THydrogen-bonded Turntrans-69.4-31.2177.2-87.6-32.6000113R5 P62 R261R5-D64 PolarHBondContact NH1-O 3.42Å; P62-D64 PolarHBondContact O-N 3.22Å; D64-R261 WeakPolarHBondContact OD1-CG 3.33Å; D64-R261 IonicContact OD1-CZ 3.85Å; D64-R261 IonicContact OD1-NH1 3.18Å; D64-R261 PolarHBondContact OD1-NH1 3.32Å
65D95.3Very high97.7Very high109 Ų10919.2 Ų19.258%0.58310%0.101SC*.THydrogen-bonded Turntrans-136.2-2.4-173.663.7-13.8000114.4P62 E63P62-D65 PolarHBondContact O-N 3.07Å; E63-D65 VanDerWaalsContact C-N 3.34Å
66H98.3Very high97.3Very high29 Ų2919.2 Ų19.213%0.13411%0.109CC..SBendtrans-117.2148.9175.6-65.268.8000112.6P62 D136P62-H66 WeakPolarHBondContact O-CB 3.25Å; P62-H66 PolarHBondContact O-N 3.27Å; P62-H66 PolarHBondContact O-ND1 2.69Å; H66-D136 IonicContact CD2-OD1 2.84Å
67F98.8Very high97Very high3 Ų320.3 Ų20.31%0.01312%0.116CC..  trans-81.2123.9165.5-169.6-87.9000110A6 L7 F9 L89 D136 V138 V141 C181 I201A6-F67 HydrophobicContact CB-CD2 3.84Å; A6-F67 HydrophobicContact CB-CE2 4.11Å; L7-F67 CarbonylContact O-C 3.5Å; L7-F67 VanDerWaalsContact O-CA 3.32Å; L7-F67 WeakPolarHBondContact O-CA 3.39Å; F9-F67 HydrophobicContact CB-CE1 4.04Å; F9-F67 HydrophobicContact CB-CZ 3.95Å; F67-L89 HydrophobicContact CE1-CD1 4.21Å; F67-D136 WeakPolarHBondContact CB-OD2 3.31Å; F67-D136 PolarHBondContact N-OD2 2.89Å; F67-V138 HydrophobicContact CB-CB 4.32Å; F67-V138 HydrophobicContact CB-CG1 4.25Å; F67-V138 HydrophobicContact CD1-CG1 3.77Å; F67-V138 HydrophobicContact CG-CG1 4.3Å; F67-V141 HydrophobicContact CE1-CG2 3.76Å; F67-V141 HydrophobicContact CZ-CG2 3.65Å; F67-C181 HydrophobicContact CB-CB 3.53Å; F67-C181 HydrophobicContact CD1-CB 4.31Å; F67-C181 HydrophobicContact CD2-CB 3.5Å; F67-C181 VanDerWaalsContact CD2-CB 3.5Å; F67-C181 HydrophobicContact CE2-CB 4.24Å; F67-C181 HydrophobicContact CG-CB 3.52Å; F67-I201 HydrophobicContact CE2-CD1 4.48Å; F67-I201 HydrophobicContact CE2-CG1 4.49Å; F67-I201 HydrophobicContact CZ-CD1 4.45Å; F67-I201 HydrophobicContact CZ-CG1 4.48Å
68A98.8Very high96.6Very high3 Ų320.6 Ų20.63%0.02512%0.119CC..EExtended strand (participates in β ladder)trans-106.4169.7-177.200000112.9L7 H8 F9 L32 M57 E63L7-A68 PolarHBondContact O-N 2.89Å; H8-A68 WeakPolarHBondContact CA-O 3.36Å; H8-A68 HydrophobicContact CB-CB 4.13Å; H8-A68 WeakPolarHBondContact CB-O 3.43Å; F9-A68 PolarHBondContact N-O 3.08Å; F9-A68 VanDerWaalsContact N-O 3.14Å; L32-A68 HydrophobicContact CD1-CB 4.07Å; M57-A68 HydrophobicContact CE-CB 4.22Å; E63-A68 HydrophobicContact CG-CB 4.29Å
69A98.8Very high96.3Very high1 Ų127.1 Ų27.11%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-103.1128.1160.900000108.9F9 F11 Y23 M57 V58 L71F9-A69 WeakPolarHBondContact O-CA 3.46Å; F11-A69 HydrophobicContact CD2-CB 3.88Å; F11-A69 HydrophobicContact CE2-CB 3.81Å; Y23-A69 HydrophobicContact CD1-CB 4.37Å; Y23-A69 HydrophobicContact CE1-CB 3.7Å; M57-A69 WeakPolarHBondContact CA-O 3.15Å; V58-A69 HydrophobicContact CG1-CB 3.83Å; V58-A69 PolarHBondContact N-O 2.99Å; V58-A69 PolarHBondContact O-N 3.38Å; A69-L71 HydrophobicContact CB-CD2 4.33Å
70E98.8Very high96.1Very high5 Ų527.8 Ų27.82%0.02315%0.152CC..EExtended strand (participates in β ladder)trans-94112.1170177.6168.3125.100108.4H8 F9 V10 F11 K55 M57H8-E70 IonicContact CE1-OE2 2.69Å; H8-E70 IonicContact NE2-OE2 3.07Å; F9-E70 PolarHBondContact O-N 2.79Å; V10-E70 CarbonylContact C-O 3.52Å; V10-E70 WeakPolarHBondContact CA-O 3.45Å; V10-E70 HydrophobicContact CB-CB 4.38Å; V10-E70 HydrophobicContact CG1-CB 4.49Å; V10-E70 HydrophobicContact CG1-CG 4.29Å; V10-E70 HydrophobicContact CG2-CB 3.99Å; V10-E70 HydrophobicContact CG2-CG 4.2Å; F11-E70 PolarHBondContact N-O 3.03Å; K55-E70 HydrophobicContact CD-CG 4.06Å; K55-E70 VanDerWaalsContact CD-OE2 3.29Å; K55-E70 WeakPolarHBondContact CD-OE2 3.34Å; K55-E70 WeakPolarHBondContact CE-OE1 3.42Å; K55-E70 WeakPolarHBondContact CE-OE2 3.29Å; K55-E70 HydrophobicContact CG-CG 3.76Å; K55-E70 IonicContact NZ-OE1 2.73Å; K55-E70 PolarHBondContact NZ-OE1 3.5Å; K55-E70 IonicContact NZ-OE2 3.34Å; K55-E70 PolarHBondContact NZ-OE2 2.77Å; M57-E70 HydrophobicContact CE-CB 3.77Å; M57-E70 HydrophobicContact CE-CG 4.36Å; M57-E70 HydrophobicContact SD-CB 3.58Å; M57-E70 VanDerWaalsContact SD-CB 3.58Å; M57-E70 HydrophobicContact SD-CG 3.58Å; M57-E70 VanDerWaalsContact SD-CG 3.58Å
71L98.6Very high96.1Very high10 Ų1032.9 Ų32.95%0.05217%0.17CC..EExtended strand (participates in β ladder)trans-95.6113.3180-49.6176.4000109.9F11 V13 T19 Y23 K55 T56 V58 A69F11-L71 HydrophobicContact CB-CD2 4.25Å; F11-L71 HydrophobicContact CD2-CD2 4.44Å; V13-L71 HydrophobicContact CG1-CB 4.34Å; V13-L71 HydrophobicContact CG1-CD2 4.18Å; V13-L71 HydrophobicContact CG2-CB 4.42Å; T19-L71 HydrophobicContact CG2-CD1 3.63Å; T19-L71 HydrophobicContact CG2-CD2 4.19Å; T19-L71 HydrophobicContact CG2-CG 4.43Å; Y23-L71 HydrophobicContact CD2-CD1 4.17Å; Y23-L71 HydrophobicContact CD2-CD2 4.21Å; Y23-L71 HydrophobicContact CE1-CD2 4.23Å; Y23-L71 HydrophobicContact CE2-CD1 4.43Å; Y23-L71 HydrophobicContact CE2-CD2 3.67Å; K55-L71 WeakPolarHBondContact CA-O 3.36Å; T56-L71 PolarHBondContact N-O 2.93Å; T56-L71 WeakPolarHBondContact O-CB 3.27Å; T56-L71 PolarHBondContact O-N 3.49Å; V58-L71 HydrophobicContact CG1-CD1 3.77Å; V58-L71 HydrophobicContact CG1-CD2 4.33Å; V58-L71 HydrophobicContact CG1-CG 3.94Å; A69-L71 HydrophobicContact CB-CD2 4.33Å
72T98Very high96.1Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-100.2112.8177.7-640000109.6F11 K12 V13 N46 W53F11-T72 PolarHBondContact O-N 3.15Å; K12-T72 WeakPolarHBondContact CA-O 3.35Å; V13-T72 PolarHBondContact N-O 2.84Å; N46-T72 HydrophobicContact CB-CG2 3.77Å; W53-T72 HydrophobicContact CE3-CG2 4.08Å; W53-T72 HydrophobicContact CZ3-CG2 4.49Å
73Y97.3Very high96.1Very high2 Ų233.4 Ų33.41%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-108.1121.2171.8178.9-90.7000109.7V13 G14 R16 W53 S54 Y75 D281 S283 K294V13-Y73 HydrophobicContact CG2-CD2 4.25Å; V13-Y73 VanDerWaalsContact O-CD2 3.26Å; V13-Y73 WeakPolarHBondContact O-CD2 3.42Å; G14-Y73 WeakPolarHBondContact O-CE2 3.32Å; R16-Y73 HydrophobicContact CB-CD2 3.85Å; R16-Y73 HydrophobicContact CB-CE2 4.08Å; R16-Y73 HydrophobicContact CB-CG 4.41Å; R16-Y73 HydrophobicContact CG-CD2 4.04Å; R16-Y73 HydrophobicContact CG-CE2 3.78Å; R16-Y73 VanDerWaalsContact NE-CZ 3.34Å; W53-Y73 CarbonylContact C-O 3.54Å; W53-Y73 WeakPolarHBondContact CA-O 3.41Å; W53-Y73 VanDerWaalsContact CB-O 3.31Å; W53-Y73 WeakPolarHBondContact CB-O 3.38Å; S54-Y73 PolarHBondContact N-O 3.29Å; S54-Y73 PolarHBondContact O-N 2.6Å; Y73-Y75 AromaticContact CD1-CD2 3.98Å; Y73-Y75 HydrophobicContact CD1-CD2 3.98Å; Y73-Y75 HydrophobicContact CD1-CE2 4.14Å; Y73-Y75 HydrophobicContact CD1-CG 4.28Å; Y73-Y75 AromaticContact CE1-CD1 3.93Å; Y73-Y75 HydrophobicContact CE1-CD1 3.93Å; Y73-Y75 HydrophobicContact CE1-CD2 4.04Å; Y73-Y75 HydrophobicContact CE1-CE1 4.17Å; Y73-Y75 HydrophobicContact CE1-CE2 4.29Å; Y73-Y75 AromaticContact CE1-CG 3.88Å; Y73-Y75 HydrophobicContact CE1-CG 3.88Å; Y73-D281 PolarHBondContact OH-OD2 3.47Å; Y73-S283 WeakPolarHBondContact OH-CB 3.4Å; Y73-S283 PolarHBondContact OH-OG 2.8Å; Y73-K294 PolarHBondContact OH-NZ 3.31Å; Y73-K294 VanDerWaalsContact OH-NZ 3.12Å
74N95.9Very high96.1Very high3 Ų336.3 Ų36.32%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-97.7124172.2-65.6-84000108.8N46 G76 V77 Y80N46-N74 WeakPolarHBondContact CB-OD1 3.23Å; N46-N74 PolarHBondContact ND2-OD1 3.33Å; N46-N74 PolarHBondContact O-ND2 3.06Å; N46-N74 PolarHBondContact O-OD1 3.19Å; N74-G76 PolarHBondContact O-N 3.02Å; N74-V77 HydrophobicContact CB-CB 4.05Å; N74-V77 HydrophobicContact CB-CG2 3.78Å; N74-V77 PolarHBondContact O-N 3.48Å; N74-V77 VanDerWaalsContact O-N 3.11Å; N74-Y80 WeakPolarHBondContact CB-OH 3.24Å; N74-Y80 PolarHBondContact ND2-OH 3.19Å
75Y92.7Very high96.2Very high57 Ų5734 Ų3422%0.22418%0.176CC..THydrogen-bonded Turntrans-63.2134.5-179.8-74.5-103.7000110.1R16 E36 K52 Y73 V77 D281R16-Y75 PolarHBondContact NH1-OH 2.63Å; R16-Y75 PolarHBondContact NH2-OH 2.83Å; E36-Y75 PolarHBondContact OE1-OH 2.91Å; E36-Y75 VanDerWaalsContact OE2-CE2 3.24Å; E36-Y75 WeakPolarHBondContact OE2-CE2 3.29Å; E36-Y75 PolarHBondContact OE2-OH 3.17Å; K52-Y75 HydrophobicContact CB-CD2 3.97Å; K52-Y75 HydrophobicContact CB-CG 4.31Å; K52-Y75 HydrophobicContact CD-CD2 3.97Å; K52-Y75 HydrophobicContact CD-CE1 4.47Å; K52-Y75 HydrophobicContact CD-CE2 3.88Å; K52-Y75 HydrophobicContact CD-CG 4.28Å; K52-Y75 HydrophobicContact CG-CD2 3.61Å; K52-Y75 HydrophobicContact CG-CE2 3.75Å; K52-Y75 HydrophobicContact CG-CG 4.24Å; K52-Y75 WeakPolarHBondContact O-CD2 3.48Å; K52-Y75 PolarHBondContact O-N 2.87Å; Y73-Y75 AromaticContact CD1-CD2 3.98Å; Y73-Y75 HydrophobicContact CD1-CD2 3.98Å; Y73-Y75 HydrophobicContact CD1-CE2 4.14Å; Y73-Y75 HydrophobicContact CD1-CG 4.28Å; Y73-Y75 AromaticContact CE1-CD1 3.93Å; Y73-Y75 HydrophobicContact CE1-CD1 3.93Å; Y73-Y75 HydrophobicContact CE1-CD2 4.04Å; Y73-Y75 HydrophobicContact CE1-CE1 4.17Å; Y73-Y75 HydrophobicContact CE1-CE2 4.29Å; Y73-Y75 AromaticContact CE1-CG 3.88Å; Y73-Y75 HydrophobicContact CE1-CG 3.88Å; Y75-V77 VanDerWaalsContact C-N 3.28Å; Y75-V77 PolarHBondContact O-N 3.36Å; Y75-D281 HydrophobicContact CE1-CB 4.31Å
76G90.1Very high96.4Very high29 Ų2929.5 Ų29.530%0.29915%0.151SC..THydrogen-bonded Turntrans80.1-1.8-176.600000115.5N74 F287N74-G76 PolarHBondContact O-N 3.02Å; G76-F287 WeakPolarHBondContact O-CZ 3.38Å
77V92.1Very high96.4Very high28 Ų2829.4 Ų29.417%0.1715%0.151CC..  trans-104110.5172.4-172.10000109.7Y49 N74 Y75 Y80Y49-V77 HydrophobicContact CD1-CG2 3.95Å; Y49-V77 HydrophobicContact CE1-CG1 4.45Å; Y49-V77 HydrophobicContact CE1-CG2 3.9Å; N74-V77 HydrophobicContact CB-CB 4.05Å; N74-V77 HydrophobicContact CB-CG2 3.78Å; N74-V77 PolarHBondContact O-N 3.48Å; N74-V77 VanDerWaalsContact O-N 3.11Å; Y75-V77 VanDerWaalsContact C-N 3.28Å; Y75-V77 PolarHBondContact O-N 3.36Å; V77-Y80 HydrophobicContact CG1-CD1 4.4Å; V77-Y80 HydrophobicContact CG1-CE1 3.7Å; V77-Y80 HydrophobicContact CG1-CE2 3.93Å; V77-Y80 VanDerWaalsContact CG1-CZ 3.42Å; V77-Y80 WeakPolarHBondContact CG1-OH 3.45Å
78G90.1Very high96.4Very high7 Ų729.2 Ų29.27%0.07215%0.151CC..  trans-94.7-19.3-172.400000114.3G14 A295G14-G78 WeakPolarHBondContact CA-O 3.48Å; G78-A295 VanDerWaalsContact O-CB 3.31Å; G78-A295 WeakPolarHBondContact O-CB 3.44Å; G78-A295 PolarHBondContact O-N 3.27Å
79E92.1Very high96.4Very high136 Ų13629.2 Ų29.264%0.63615%0.15SC*.  trans-152.7148.2-172.9-175.5176.6-171.100111A295E79-A295 HydrophobicContact CB-CB 4.06Å; E79-A295 HydrophobicContact CG-CB 4.05Å
80Y95.8Very high96.4Very high15 Ų1529.7 Ų29.76%0.05915%0.153CC..  trans-128.1134.6172.2-59.9-89.5000108.2K12 Y49 N74 V77 L82K12-Y80 HydrophobicContact CB-CD1 3.96Å; K12-Y80 HydrophobicContact CB-CD2 3.75Å; K12-Y80 HydrophobicContact CB-CE1 3.91Å; K12-Y80 HydrophobicContact CB-CE2 3.72Å; K12-Y80 HydrophobicContact CB-CG 3.88Å; K12-Y80 HydrophobicContact CD-CD1 3.73Å; K12-Y80 HydrophobicContact CD-CE1 3.75Å; K12-Y80 HydrophobicContact CD-CG 4.37Å; K12-Y80 HydrophobicContact CG-CD1 4.39Å; K12-Y80 HydrophobicContact CG-CE1 4.15Å; Y49-Y80 AromaticContact CE2-CE1 3.74Å; Y49-Y80 HydrophobicContact CE2-CE1 3.74Å; Y49-Y80 AromaticContact CZ-CE1 3.74Å; Y49-Y80 VanDerWaalsContact OH-CE1 3.27Å; Y49-Y80 WeakPolarHBondContact OH-CE1 3.16Å; N74-Y80 WeakPolarHBondContact CB-OH 3.24Å; N74-Y80 PolarHBondContact ND2-OH 3.19Å; V77-Y80 HydrophobicContact CG1-CD1 4.4Å; V77-Y80 HydrophobicContact CG1-CE1 3.7Å; V77-Y80 HydrophobicContact CG1-CE2 3.93Å; V77-Y80 VanDerWaalsContact CG1-CZ 3.42Å; V77-Y80 WeakPolarHBondContact CG1-OH 3.45Å; Y80-L82 PolarHBondContact O-N 3.34Å
81R96.9Very high96.4Very high131 Ų13129.5 Ų29.549%0.49415%0.152SC..  trans-71.4115.2176.4-175.6-179.877.687.4-8.8108.4D193 G195 T196 A197R81-D193 IonicContact CZ-OD1 3.5Å; R81-D193 IonicContact CZ-OD2 3.9Å; R81-D193 IonicContact NH1-OD1 3.57Å; R81-D193 IonicContact NH1-OD2 3.33Å; R81-D193 PolarHBondContact NH1-OD2 2.92Å; R81-D193 VanDerWaalsContact NH2-CG 3.34Å; R81-D193 IonicContact NH2-OD1 2.81Å; R81-D193 PolarHBondContact NH2-OD1 2.8Å; R81-D193 IonicContact NH2-OD2 3.49Å; R81-D193 PolarHBondContact NH2-OD2 2.75Å; R81-D193 VanDerWaalsContact NH2-OD2 3.07Å; R81-G195 CarbonylContact O-C 3.54Å; R81-G195 WeakPolarHBondContact O-CA 3.48Å; R81-T196 PolarHBondContact N-OG1 3.4Å; R81-T196 PolarHBondContact O-N 2.92Å; R81-A197 WeakPolarHBondContact O-CB 3.44Å; R81-A197 PolarHBondContact O-N 3.44Å
82L97.1Very high96.4Very high58 Ų5830.7 Ų30.730%0.30416%0.157SC..  trans-68.4136.2173-165.365.3000110.5Y80 G122 Y123 A197Y80-L82 PolarHBondContact O-N 3.34Å; L82-G122 VanDerWaalsContact CD2-O 3.32Å; L82-G122 WeakPolarHBondContact CD2-O 3.41Å; L82-Y123 HydrophobicContact CD1-CD1 3.8Å; L82-Y123 HydrophobicContact CD1-CE1 3.69Å; L82-A197 HydrophobicContact CB-CB 4.48Å; L82-A197 HydrophobicContact CD1-CB 3.99Å
83G98.1Very high96.4Very high20 Ų2030.7 Ų30.721%0.20616%0.157CC..  trans-88.8-157.4172.700000112.6D193G83-D193 CarbonylContact C-O 3.59Å; G83-D193 WeakPolarHBondContact CA-O 3.47Å
84N98.5Very high96.5Very high64 Ų6432.1 Ų32.134%0.34217%0.168SC..SBendtrans-11412.1167.270.6-2.4000112.2L87 A144 I188 T191 D193N84-L87 WeakPolarHBondContact O-CD2 3.5Å; N84-A144 WeakPolarHBondContact O-CB 3.47Å; N84-I188 WeakPolarHBondContact ND2-CD1 3.32Å; N84-T191 PolarHBondContact ND2-O 3.39Å; N84-D193 PolarHBondContact N-O 3.05Å; N84-D193 PolarHBondContact OD1-N 3.09Å; N84-D193 PolarHBondContact OD1-O 3.33Å
85D98.6Very high96.6Very high5 Ų537 Ų373%0.02719%0.19CC..SBendtrans-76.9-46.9-17365.1-32000112.9L143 A144 V192 D193 H194 F198 H250D85-L143 WeakPolarHBondContact O-CA 3.46Å; D85-A144 PolarHBondContact O-N 2.87Å; D85-V192 HydrophobicContact CB-CG1 3.57Å; D85-D193 PolarHBondContact N-O 3.06Å; D85-H194 WeakPolarHBondContact CB-ND1 3.45Å; D85-H194 IonicContact OD2-CE1 3.34Å; D85-H194 IonicContact OD2-CG 3.56Å; D85-H194 IonicContact OD2-ND1 3.8Å; D85-H194 PolarHBondContact OD2-ND1 2.73Å; D85-F198 WeakPolarHBondContact OD2-CB 3.32Å; D85-H250 PolarHBondContact O-CE1 2.89Å
86F98.7Very high96.9Very high13 Ų1334.3 Ų34.36%0.05718%0.18CC..EExtended strand (participates in β ladder)trans-90.2115.2174.3177.8-97.9000110.9F9 F11 G88 L89 Y123 V141 L143F9-F86 HydrophobicContact CD1-CD2 4.34Å; F9-F86 HydrophobicContact CD1-CE2 4.11Å; F9-F86 AromaticContact CE1-CD2 3.65Å; F9-F86 HydrophobicContact CE1-CD2 3.65Å; F9-F86 AromaticContact CE1-CE2 3.88Å; F9-F86 HydrophobicContact CE1-CE2 3.88Å; F9-F86 HydrophobicContact CE1-CG 4.36Å; F9-F86 HydrophobicContact CE2-CD2 4.08Å; F9-F86 HydrophobicContact CE2-CE2 4.43Å; F9-F86 HydrophobicContact CG-CE2 4.45Å; F9-F86 AromaticContact CZ-CD2 3.5Å; F9-F86 HydrophobicContact CZ-CD2 3.5Å; F9-F86 HydrophobicContact CZ-CE2 4.05Å; F9-F86 HydrophobicContact CZ-CG 4.32Å; F11-F86 AromaticContact CE1-CE1 3.9Å; F11-F86 HydrophobicContact CE1-CE1 3.9Å; F11-F86 AromaticContact CE1-CE2 3.94Å; F11-F86 HydrophobicContact CE1-CE2 3.94Å; F11-F86 AromaticContact CE1-CZ 3.57Å; F11-F86 HydrophobicContact CE1-CZ 3.57Å; F11-F86 HydrophobicContact CZ-CE1 4.5Å; F11-F86 HydrophobicContact CZ-CE2 4.07Å; F11-F86 AromaticContact CZ-CZ 3.77Å; F11-F86 HydrophobicContact CZ-CZ 3.77Å; F86-G88 VanDerWaalsContact CE1-CA 3.48Å; F86-L89 HydrophobicContact CZ-CB 4.01Å; F86-Y123 HydrophobicContact CD1-CD1 4.1Å; F86-Y123 HydrophobicContact CE1-CD1 4.38Å; F86-V141 HydrophobicContact CD2-CG1 4.32Å; F86-V141 HydrophobicContact CE2-CG1 3.97Å; F86-L143 HydrophobicContact CD2-CD2 4.15Å
87L98.7Very high97.3Very high27 Ų2732.9 Ų32.914%0.14117%0.166CC..EExtended strand (participates in β ladder)trans-96.1-20.2-176.6-61.2-178.3000113.6N84 Y126 C142 A144 H186 I188N84-L87 WeakPolarHBondContact O-CD2 3.5Å; L87-Y126 WeakPolarHBondContact O-CE2 3.42Å; L87-C142 HydrophobicContact CB-CB 4.04Å; L87-C142 PolarHBondContact N-O 3.35Å; L87-A144 HydrophobicContact CD1-CB 4Å; L87-A144 HydrophobicContact CD2-CB 4.19Å; L87-A144 HydrophobicContact CG-CB 4.03Å; L87-H186 HydrophobicContact CD1-CB 3.52Å; L87-I188 HydrophobicContact CD1-CG2 4.31Å
88G98.7Very high97.6Very high0 Ų034.6 Ų34.60%018%0.178CC..EExtended strand (participates in β ladder)trans151.2167.7166.200000114.8F86 R124 C142F86-G88 VanDerWaalsContact CE1-CA 3.48Å; G88-R124 CarbonylContact C-O 3.52Å; G88-R124 WeakPolarHBondContact CA-O 3.35Å; G88-C142 PolarHBondContact N-O 2.96Å; G88-C142 PolarHBondContact O-N 3.18Å
89L98.9Very high98Very high2 Ų235 Ų351%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-109.2129.2169.8-175.4156.1000108.9F11 F67 F86 L91 R124 F125 Y126 V138 K140 V141F11-L89 HydrophobicContact CZ-CD1 4.45Å; F67-L89 HydrophobicContact CE1-CD1 4.21Å; F86-L89 HydrophobicContact CZ-CB 4.01Å; L89-L91 HydrophobicContact CD2-CB 4.24Å; L89-L91 HydrophobicContact CD2-CD2 4.13Å; L89-R124 PolarHBondContact N-O 3.07Å; L89-F125 HydrophobicContact CB-CD1 4.16Å; L89-F125 HydrophobicContact CB-CE1 4Å; L89-F125 HydrophobicContact CB-CZ 4.38Å; L89-F125 HydrophobicContact CD1-CE1 4.08Å; L89-F125 HydrophobicContact CD1-CZ 4.49Å; L89-F125 HydrophobicContact CD2-CD1 3.87Å; L89-F125 HydrophobicContact CD2-CE1 3.77Å; L89-F125 HydrophobicContact CG-CE1 4.17Å; L89-F125 CarbonylContact O-C 3.5Å; L89-F125 VanDerWaalsContact O-CA 3.31Å; L89-F125 WeakPolarHBondContact O-CA 3.34Å; L89-Y126 PolarHBondContact O-N 2.94Å; L89-V138 HydrophobicContact CD1-CG1 4.31Å; L89-V138 HydrophobicContact CD2-CG1 3.89Å; L89-V138 HydrophobicContact CD2-CG2 4.44Å; L89-V138 HydrophobicContact CG-CG1 4.15Å; L89-K140 WeakPolarHBondContact CA-O 3.5Å; L89-V141 HydrophobicContact CD1-CG2 4.36Å; L89-V141 HydrophobicContact CG-CG2 4.47Å
90T98.9Very high98.4Very high12 Ų1228.5 Ų28.57%0.07415%0.149CC..EExtended strand (participates in β ladder)trans-102.5131.6178-52.80000110.5Y126 V128 Q139 K140T90-Y126 WeakPolarHBondContact CA-O 3.39Å; T90-V128 HydrophobicContact CG2-CG2 3.99Å; T90-Q139 PolarHBondContact O-N 3.27Å; T90-K140 PolarHBondContact N-O 2.93Å; T90-K140 PolarHBondContact O-N 3.3Å
91L98.8Very high98.5Very high0 Ų033.3 Ų33.30%017%0.17CC..EExtended strand (participates in β ladder)trans-138.5154.7174.669.587.4000111.7L27 M29 F60 L89 A96 F125 Y126 L127 V128 P137L27-L91 HydrophobicContact CD1-CD2 4.12Å; L27-L91 HydrophobicContact CD2-CD2 4.2Å; M29-L91 HydrophobicContact CE-CD2 4.19Å; F60-L91 HydrophobicContact CE2-CD2 4.18Å; F60-L91 HydrophobicContact CZ-CD1 4.24Å; F60-L91 HydrophobicContact CZ-CD2 4.3Å; L89-L91 HydrophobicContact CD2-CB 4.24Å; L89-L91 HydrophobicContact CD2-CD2 4.13Å; L91-A96 HydrophobicContact CD1-CB 4.42Å; L91-F125 HydrophobicContact CD2-CD1 4.1Å; L91-Y126 PolarHBondContact N-O 2.81Å; L91-L127 HydrophobicContact CD1-CD2 3.74Å; L91-L127 HydrophobicContact CD2-CD2 4Å; L91-L127 HydrophobicContact CG-CD2 3.76Å; L91-L127 WeakPolarHBondContact O-CA 3.31Å; L91-V128 PolarHBondContact O-N 2.92Å; L91-P137 CarbonylContact C-O 3.59Å; L91-P137 VanDerWaalsContact CA-O 3.23Å; L91-P137 WeakPolarHBondContact CA-O 3.45Å
92Q98.6Very high98.6Very high35 Ų3535.1 Ų35.116%0.16418%0.177CC..EExtended strand (participates in β ladder)trans-107.2108.3179.7-177.7175.7-57.100111.5V128 K130 E131 Q132 P137Q92-V128 HydrophobicContact CB-CB 4.19Å; Q92-V128 HydrophobicContact CG-CB 4.22Å; Q92-V128 HydrophobicContact CG-CG1 4.27Å; Q92-K130 HydrophobicContact CG-CB 3.83Å; Q92-E131 PolarHBondContact NE2-O 2.77Å; Q92-Q132 WeakPolarHBondContact O-CG 3.19Å; Q92-P137 PolarHBondContact N-O 3.18Å
93S98.6Very high98.6Very high0 Ų035.9 Ų35.90%018%0.181CC..  trans-164.8101.1-178.9-178.30000111.8Q95 A96 V97 V128 K130 Q132S93-Q95 PolarHBondContact O-N 3.45Å; S93-A96 WeakPolarHBondContact O-CB 3.06Å; S93-A96 PolarHBondContact O-N 3.38Å; S93-A96 VanDerWaalsContact O-N 3.08Å; S93-A96 WeakPolarHBondContact OG-CB 3.32Å; S93-A96 PolarHBondContact OG-N 3.27Å; S93-V97 PolarHBondContact O-N 3.32Å; S93-V128 PolarHBondContact N-O 2.85Å; S93-K130 CarbonylContact C-O 3.59Å; S93-K130 WeakPolarHBondContact CA-O 3.35Å; S93-K130 PolarHBondContact N-O 3.23Å; S93-Q132 PolarHBondContact OG-NE2 3.4Å
94S98.4Very high98.6Very high33 Ų3338 Ų3823%0.23120%0.203CC..Hα-helixtrans-62.3-28170.256.30000112.1V97 S98 D129 K130S94-V97 PolarHBondContact O-N 2.92Å; S94-S98 WeakPolarHBondContact O-CB 3.41Å; S94-S98 PolarHBondContact O-N 2.95Å; S94-S98 PolarHBondContact O-OG 3.47Å; S94-D129 VanDerWaalsContact CA-OD1 3.22Å; S94-D129 WeakPolarHBondContact CA-OD1 3.49Å; S94-D129 WeakPolarHBondContact CB-OD1 3.33Å; S94-K130 PolarHBondContact N-O 3.28Å
95Q98.6Very high98.6Very high105 Ų10537 Ų3749%0.49119%0.194SC..Hα-helixtrans-65-40.2172.1-173.160.658.400111.7S93 S98 N99S93-Q95 PolarHBondContact O-N 3.45Å; Q95-S98 PolarHBondContact O-N 2.76Å; Q95-N99 PolarHBondContact NE2-OD1 3.42Å; Q95-N99 VanDerWaalsContact O-CB 3.29Å; Q95-N99 WeakPolarHBondContact O-CB 3.3Å; Q95-N99 PolarHBondContact O-N 2.92Å; Q95-N99 PolarHBondContact O-ND2 3.36Å
96A98.8Very high98.6Very high0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-65.1-42.2177.400000111.5V26 L27 L91 S93 N99 A100 L127V26-A96 WeakPolarHBondContact O-CA 3.09Å; L27-A96 HydrophobicContact CD2-CB 4.46Å; L91-A96 HydrophobicContact CD1-CB 4.42Å; S93-A96 WeakPolarHBondContact O-CB 3.06Å; S93-A96 PolarHBondContact O-N 3.38Å; S93-A96 VanDerWaalsContact O-N 3.08Å; S93-A96 WeakPolarHBondContact OG-CB 3.32Å; S93-A96 PolarHBondContact OG-N 3.27Å; A96-N99 PolarHBondContact O-N 2.96Å; A96-A100 WeakPolarHBondContact O-CB 3.46Å; A96-A100 PolarHBondContact O-N 2.85Å; A96-L127 HydrophobicContact CB-CD1 4.28Å
97V98.8Very high98.6Very high0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-61.3-45.1174176.40000111S93 S94 A100 K101 L107 Y115 L127 D129S93-V97 PolarHBondContact O-N 3.32Å; S94-V97 PolarHBondContact O-N 2.92Å; V97-A100 PolarHBondContact O-N 3.05Å; V97-K101 HydrophobicContact CG1-CD 4.19Å; V97-K101 WeakPolarHBondContact O-CG 3.23Å; V97-K101 PolarHBondContact O-N 3.45Å; V97-L107 HydrophobicContact CG1-CD1 4.04Å; V97-Y115 HydrophobicContact CG1-CD2 3.78Å; V97-Y115 HydrophobicContact CG1-CE2 3.8Å; V97-Y115 HydrophobicContact CG1-CG 4.47Å; V97-Y115 HydrophobicContact CG2-CD2 3.86Å; V97-L127 HydrophobicContact CG2-CB 3.76Å; V97-L127 HydrophobicContact CG2-CD1 4.22Å; V97-D129 HydrophobicContact CG2-CB 4.02Å
98S98.7Very high98.5Very high63 Ų6346.3 Ų46.344%0.44125%0.249SC..Hα-helixtrans-64.7-41178.2-61.40000112.2S94 Q95 K101 R102S94-S98 WeakPolarHBondContact O-CB 3.41Å; S94-S98 PolarHBondContact O-N 2.95Å; S94-S98 PolarHBondContact O-OG 3.47Å; Q95-S98 PolarHBondContact O-N 2.76Å; S98-K101 PolarHBondContact O-N 2.9Å; S98-R102 WeakPolarHBondContact O-CB 3.36Å; S98-R102 PolarHBondContact O-N 2.91Å
99N98.8Very high98.5Very high16 Ų1652.2 Ų52.29%0.08628%0.276CS..Hα-helixtrans-63.1-47.7175.3-77.2-16.6000111.8D25 V26 Q95 A96 K101 R102 L103D25-N99 WeakPolarHBondContact O-CB 3.45Å; D25-N99 PolarHBondContact O-ND2 3.27Å; V26-N99 WeakPolarHBondContact O-CB 3.36Å; V26-N99 PolarHBondContact O-ND2 2.9Å; Q95-N99 PolarHBondContact NE2-OD1 3.42Å; Q95-N99 VanDerWaalsContact O-CB 3.29Å; Q95-N99 WeakPolarHBondContact O-CB 3.3Å; Q95-N99 PolarHBondContact O-N 2.92Å; Q95-N99 PolarHBondContact O-ND2 3.36Å; A96-N99 PolarHBondContact O-N 2.96Å; N99-K101 PolarHBondContact O-N 2.81Å; N99-R102 PolarHBondContact O-N 2.83Å; N99-R102 PolarHBondContact OD1-NH2 3.24Å; N99-L103 WeakPolarHBondContact O-CB 3.31Å; N99-L103 WeakPolarHBondContact O-CG 3.44Å; N99-L103 PolarHBondContact O-N 2.93Å
100A98.7Very high98.5Very high0 Ų055.5 Ų55.50%030%0.296CS..Hα-helixtrans-55.3-50.3175.800000111.2V26 A96 V97 R102 L103 G104 W105 L107V26-A100 HydrophobicContact CG1-CB 3.69Å; A96-A100 WeakPolarHBondContact O-CB 3.46Å; A96-A100 PolarHBondContact O-N 2.85Å; V97-A100 PolarHBondContact O-N 3.05Å; A100-R102 PolarHBondContact O-N 2.86Å; A100-L103 PolarHBondContact O-N 3.38Å; A100-G104 PolarHBondContact O-N 3.08Å; A100-W105 HydrophobicContact CB-CB 4.07Å; A100-W105 PolarHBondContact O-N 3.04Å; A100-L107 HydrophobicContact CB-CD1 3.73Å; A100-L107 HydrophobicContact CB-CD2 3.83Å; A100-L107 HydrophobicContact CB-CG 3.77Å
101K98.4Very high98.3Very high115 Ų11556.3 Ų56.350%0.531%0.307SS..Hα-helixtrans-57.5-45.7176.3-71.6171-179.8169.40112V97 S98 N99 G104 L107V97-K101 HydrophobicContact CG1-CD 4.19Å; V97-K101 WeakPolarHBondContact O-CG 3.23Å; V97-K101 PolarHBondContact O-N 3.45Å; S98-K101 PolarHBondContact O-N 2.9Å; N99-K101 PolarHBondContact O-N 2.81Å; K101-G104 PolarHBondContact O-N 3.39Å; K101-L107 HydrophobicContact CG-CD1 4.03Å
102R98.6Very high98.2Very high169 Ų16966.1 Ų66.164%0.63835%0.349SS*.Hα-helixtrans-65.3-38.2179.8179.8178.36082.32.1112.9S98 N99 A100 G104S98-R102 WeakPolarHBondContact O-CB 3.36Å; S98-R102 PolarHBondContact O-N 2.91Å; N99-R102 PolarHBondContact O-N 2.83Å; N99-R102 PolarHBondContact OD1-NH2 3.24Å; A100-R102 PolarHBondContact O-N 2.86Å; R102-G104 VanDerWaalsContact C-N 3.32Å
103L98.1Very high98.1Very high75 Ų7566.1 Ų66.139%0.39336%0.355SS..Hα-helixtrans-85.2-5.3-179.2-67.4171000112.9D25 V26 N99 A100 W105D25-L103 HydrophobicContact CB-CD1 3.83Å; D25-L103 WeakPolarHBondContact O-CD1 3.44Å; V26-L103 HydrophobicContact CG2-CD1 3.84Å; N99-L103 WeakPolarHBondContact O-CB 3.31Å; N99-L103 WeakPolarHBondContact O-CG 3.44Å; N99-L103 PolarHBondContact O-N 2.93Å; A100-L103 PolarHBondContact O-N 3.38Å; L103-W105 PolarHBondContact O-N 3.08Å
104G98.1Very high98.1Very high64 Ų6468.5 Ų68.566%0.6637%0.368SS*.THydrogen-bonded Turntrans68.223.3-173.500000113.3A100 K101 R102A100-G104 PolarHBondContact O-N 3.08Å; K101-G104 PolarHBondContact O-N 3.39Å; R102-G104 VanDerWaalsContact C-N 3.32Å
105W98.5Very high98.1Very high44 Ų4468.4 Ų68.417%0.16736%0.362CS..  trans-71.1131.1174-160.2-80000109.6T21 F22 V26 A100 L103 L107 E118 P120T21-W105 HydrophobicContact CG2-CZ3 4.16Å; F22-W105 HydrophobicContact CB-CH2 3.61Å; F22-W105 HydrophobicContact CB-CZ2 3.83Å; F22-W105 HydrophobicContact CB-CZ3 4.2Å; F22-W105 HydrophobicContact CD2-CD2 4.07Å; F22-W105 AromaticContact CD2-CE2 3.37Å; F22-W105 AromaticContact CD2-CH2 3.97Å; F22-W105 HydrophobicContact CD2-CH2 3.97Å; F22-W105 AromaticContact CD2-CZ2 3.33Å; F22-W105 HydrophobicContact CD2-CZ2 3.33Å; F22-W105 AromaticContact CD2-NE1 3.6Å; F22-W105 AromaticContact CE2-CE2 3.95Å; F22-W105 HydrophobicContact CE2-CZ2 4.19Å; F22-W105 AromaticContact CE2-NE1 3.67Å; F22-W105 HydrophobicContact CG-CH2 4.2Å; F22-W105 AromaticContact CG-CZ2 3.89Å; F22-W105 HydrophobicContact CG-CZ2 3.89Å; V26-W105 HydrophobicContact CG1-CB 4.32Å; V26-W105 HydrophobicContact CG1-CG 4.24Å; V26-W105 HydrophobicContact CG2-CB 3.99Å; V26-W105 HydrophobicContact CG2-CD2 3.71Å; V26-W105 HydrophobicContact CG2-CE3 3.5Å; V26-W105 VanDerWaalsContact CG2-CE3 3.5Å; V26-W105 HydrophobicContact CG2-CG 3.92Å; V26-W105 HydrophobicContact CG2-CZ3 4.22Å; A100-W105 HydrophobicContact CB-CB 4.07Å; A100-W105 PolarHBondContact O-N 3.04Å; L103-W105 PolarHBondContact O-N 3.08Å; W105-L107 PolarHBondContact O-N 2.99Å; W105-E118 WeakPolarHBondContact CZ2-O 3.34Å; W105-E118 PolarHBondContact NE1-O 2.86Å; W105-P120 HydrophobicContact CH2-CG 4.06Å; W105-P120 HydrophobicContact CZ2-CG 4.35Å
106P98.1Very high98.1Very high96 Ų9664.3 Ų64.362%0.62334%0.344SS*.  trans-56.4130.2-178.4-27.135.4000112.8
107L97.9Very high98.1Very high43 Ų4364.3 Ų64.323%0.22534%0.344CS..  trans-128.7134.9171.6-69.3-176.9000109.6V97 A100 K101 W105 Y115 L116 A117 L127V97-L107 HydrophobicContact CG1-CD1 4.04Å; A100-L107 HydrophobicContact CB-CD1 3.73Å; A100-L107 HydrophobicContact CB-CD2 3.83Å; A100-L107 HydrophobicContact CB-CG 3.77Å; K101-L107 HydrophobicContact CG-CD1 4.03Å; W105-L107 PolarHBondContact O-N 2.99Å; L107-Y115 HydrophobicContact CB-CD1 4.25Å; L107-Y115 HydrophobicContact CD1-CD1 4.42Å; L107-Y115 HydrophobicContact CD1-CG 4.39Å; L107-L116 WeakPolarHBondContact CA-O 3.15Å; L107-A117 HydrophobicContact CD2-CB 3.73Å; L107-L127 HydrophobicContact CD2-CD1 4Å
108I98.4Very high98.1Very high101 Ų10167.7 Ų67.752%0.51836%0.36SS..EExtended strand (participates in β ladder)trans-114.2120.9173.3-56.2172000107.6V110 Y115 L116I108-V110 HydrophobicContact CB-CG1 4.44Å; I108-V110 HydrophobicContact CG2-CG1 3.96Å; I108-V110 PolarHBondContact O-N 3.42Å; I108-Y115 CarbonylContact O-C 3.54Å; I108-Y115 WeakPolarHBondContact O-CA 3.31Å; I108-L116 HydrophobicContact CB-CB 4.33Å; I108-L116 HydrophobicContact CD1-CD2 4.48Å; I108-L116 PolarHBondContact N-O 2.83Å; I108-L116 PolarHBondContact O-N 2.89Å
109E98Very high98.1Very high124 Ų12464.8 Ų64.858%0.57934%0.339SS*.EExtended strand (participates in β ladder)trans-72.4115.1172.5-167169.5173.200109.2Y115E109-Y115 HydrophobicContact CB-CD1 3.94Å; E109-Y115 HydrophobicContact CB-CE1 3.71Å; E109-Y115 HydrophobicContact CG-CD1 4.29Å; E109-Y115 HydrophobicContact CG-CE1 3.86Å
110V97.9Very high98Very high70 Ų7064.3 Ų64.342%0.42434%0.337SS..EExtended strand (participates in β ladder)trans-112.6-0.9-175.9-65.50000112.7I108 L114 L116 Y126I108-V110 HydrophobicContact CB-CG1 4.44Å; I108-V110 HydrophobicContact CG2-CG1 3.96Å; I108-V110 PolarHBondContact O-N 3.42Å; V110-L114 HydrophobicContact CG2-CB 4.44Å; V110-L114 HydrophobicContact CG2-CD2 4.03Å; V110-L114 HydrophobicContact CG2-CG 3.88Å; V110-L114 PolarHBondContact N-O 2.89Å; V110-L116 HydrophobicContact CG1-CB 3.83Å; V110-L116 HydrophobicContact CG1-CD2 4.48Å; V110-L116 HydrophobicContact CG2-CB 4.26Å; V110-Y126 HydrophobicContact CG2-CD1 4.08Å; V110-Y126 HydrophobicContact CG2-CE1 4.21Å
111G96.1Very high97.8Very high29 Ų2965.6 Ų65.630%0.29935%0.35SS..EExtended strand (participates in β ladder)trans-178.5174.5176.600000110.7A113 L114G111-A113 PolarHBondContact O-N 3.08Å; G111-A113 VanDerWaalsContact O-N 3.07Å; G111-L114 PolarHBondContact N-O 2.89Å; G111-L114 PolarHBondContact O-N 3Å
112K96Very high97.7Very high206 Ų20660.9 Ų60.990%0.89633%0.334SS*.THydrogen-bonded Turntrans-60.5115.2179-176.9179.2-179.71790110.2L114K112-L114 PolarHBondContact O-N 3.3Å
113A97Very high97.7Very high35 Ų3553 Ų5329%0.28931%0.305SS..THydrogen-bonded Turntrans56.134.5-176.700000113.1G111 D129G111-A113 PolarHBondContact O-N 3.08Å; G111-A113 VanDerWaalsContact O-N 3.07Å; A113-D129 HydrophobicContact CB-CB 4.17Å; A113-D129 PolarHBondContact O-N 3.22Å
114L98.7Very high97.8Very high50 Ų5054.5 Ų54.526%0.26231%0.305SS..EExtended strand (participates in β ladder)trans-132.6116.8178.3-172.965.4000109.8V110 G111 K112 V128V110-L114 HydrophobicContact CG2-CB 4.44Å; V110-L114 HydrophobicContact CG2-CD2 4.03Å; V110-L114 HydrophobicContact CG2-CG 3.88Å; V110-L114 PolarHBondContact N-O 2.89Å; G111-L114 PolarHBondContact N-O 2.89Å; G111-L114 PolarHBondContact O-N 3Å; K112-L114 PolarHBondContact O-N 3.3Å; L114-V128 HydrophobicContact CD1-CG2 3.85Å
115Y98.8Very high97.8Very high31 Ų3151.4 Ų51.412%0.12227%0.274CS..EExtended strand (participates in β ladder)trans-114.3135.5-179.6-63.2-84.1000110.9V97 L107 I108 E109 Y126 L127 D129V97-Y115 HydrophobicContact CG1-CD2 3.78Å; V97-Y115 HydrophobicContact CG1-CE2 3.8Å; V97-Y115 HydrophobicContact CG1-CG 4.47Å; V97-Y115 HydrophobicContact CG2-CD2 3.86Å; L107-Y115 HydrophobicContact CB-CD1 4.25Å; L107-Y115 HydrophobicContact CD1-CD1 4.42Å; L107-Y115 HydrophobicContact CD1-CG 4.39Å; I108-Y115 CarbonylContact O-C 3.54Å; I108-Y115 WeakPolarHBondContact O-CA 3.31Å; E109-Y115 HydrophobicContact CB-CD1 3.94Å; E109-Y115 HydrophobicContact CB-CE1 3.71Å; E109-Y115 HydrophobicContact CG-CD1 4.29Å; E109-Y115 HydrophobicContact CG-CE1 3.86Å; Y115-Y126 CarbonylContact O-C 3.48Å; Y115-Y126 WeakPolarHBondContact O-CA 3.43Å; Y115-L127 PolarHBondContact N-O 2.95Å; Y115-L127 PolarHBondContact O-N 2.72Å; Y115-D129 HydrophobicContact CD2-CB 4.11Å; Y115-D129 HydrophobicContact CE2-CB 3.87Å
116L98.8Very high97.8Very high19 Ų1951.9 Ų51.910%0.09928%0.276CS..EExtended strand (participates in β ladder)trans-88.8126.3166.8171.763.2000108.9L107 I108 V110 R124 F125 Y126L107-L116 WeakPolarHBondContact CA-O 3.15Å; I108-L116 HydrophobicContact CB-CB 4.33Å; I108-L116 HydrophobicContact CD1-CD2 4.48Å; I108-L116 PolarHBondContact N-O 2.83Å; I108-L116 PolarHBondContact O-N 2.89Å; V110-L116 HydrophobicContact CG1-CB 3.83Å; V110-L116 HydrophobicContact CG1-CD2 4.48Å; V110-L116 HydrophobicContact CG2-CB 4.26Å; L116-R124 HydrophobicContact CD1-CB 3.7Å; L116-R124 HydrophobicContact CD1-CG 3.91Å; L116-F125 WeakPolarHBondContact CA-O 3.42Å; L116-Y126 HydrophobicContact CB-CD1 4.47Å; L116-Y126 HydrophobicContact CB-CE1 4.4Å; L116-Y126 HydrophobicContact CD1-CD1 4.37Å; L116-Y126 HydrophobicContact CD1-CE1 4.07Å
117A98.6Very high97.9Very high1 Ų147.3 Ų47.31%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-118148165.400000108.6F22 L107 F125 L127F22-A117 HydrophobicContact CE2-CB 4.15Å; F22-A117 HydrophobicContact CZ-CB 4.48Å; L107-A117 HydrophobicContact CD2-CB 3.73Å; A117-F125 PolarHBondContact N-O 2.82Å; A117-F125 PolarHBondContact O-N 3.49Å; A117-L127 HydrophobicContact CB-CD1 4.14Å; A117-L127 HydrophobicContact CB-CG 4.45Å
118E98.4Very high97.9Very high71 Ų7146.3 Ų46.333%0.33224%0.242SC..EExtended strand (participates in β ladder)trans-109.1129.6172.7-66.3-175.2166.700109.6W105 Y123W105-E118 WeakPolarHBondContact CZ2-O 3.34Å; W105-E118 PolarHBondContact NE1-O 2.86Å; E118-Y123 WeakPolarHBondContact CA-O 3.41Å
119A98.4Very high97.9Very high1 Ų143.7 Ų43.71%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-73.9159.4167.400000109.4F22 Y23 G121 G122 Y123 F125F22-A119 HydrophobicContact CD1-CB 3.49Å; F22-A119 VanDerWaalsContact CD1-CB 3.49Å; F22-A119 HydrophobicContact CE1-CB 3.34Å; F22-A119 HydrophobicContact CG-CB 4.14Å; F22-A119 HydrophobicContact CZ-CB 3.89Å; Y23-A119 HydrophobicContact CE2-CB 4.43Å; A119-G121 PolarHBondContact O-N 2.95Å; A119-G122 PolarHBondContact O-N 3.11Å; A119-Y123 PolarHBondContact N-O 3.14Å; A119-F125 HydrophobicContact CB-CD2 4.07Å; A119-F125 HydrophobicContact CB-CE2 3.84Å
120P96.7Very high97.9Very high6 Ų643.6 Ų43.64%0.03923%0.226CC..THydrogen-bonded Turntrans-52.7132171.9-26.537.2000111.6K18 W105K18-P120 HydrophobicContact CB-CB 4.33Å; K18-P120 HydrophobicContact CB-CG 3.73Å; W105-P120 HydrophobicContact CH2-CG 4.06Å; W105-P120 HydrophobicContact CZ2-CG 4.35Å
121G94.4Very high97.9Very high27 Ų2748 Ų4828%0.27824%0.242SC..THydrogen-bonded Turntrans95-1.1-170.200000114.7A119A119-G121 PolarHBondContact O-N 2.95Å
122G97Very high98Very high16 Ų1650.7 Ų50.717%0.16525%0.247CC..THydrogen-bonded Turntrans878.5173.900000114.7L82 A119 R124L82-G122 VanDerWaalsContact CD2-O 3.32Å; L82-G122 WeakPolarHBondContact CD2-O 3.41Å; A119-G122 PolarHBondContact O-N 3.11Å; G122-R124 PolarHBondContact O-N 2.89Å
123Y98.6Very high97.9Very high3 Ų342.5 Ų42.51%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-67.6126.1179.4-57.7-75.2000111F11 K12 L82 F86 E118 A119 A197F11-Y123 HydrophobicContact CB-CE2 4.48Å; F11-Y123 AromaticContact CD1-CD1 3.71Å; F11-Y123 HydrophobicContact CD1-CD1 3.71Å; F11-Y123 HydrophobicContact CD1-CD2 4.14Å; F11-Y123 AromaticContact CD1-CE1 3.93Å; F11-Y123 HydrophobicContact CD1-CE1 3.93Å; F11-Y123 HydrophobicContact CD1-CE2 4.33Å; F11-Y123 AromaticContact CD1-CG 3.8Å; F11-Y123 HydrophobicContact CD1-CG 3.8Å; F11-Y123 HydrophobicContact CE1-CD1 4.03Å; F11-Y123 HydrophobicContact CE1-CG 4.15Å; K12-Y123 PolarHBondContact N-OH 2.9Å; K12-Y123 WeakPolarHBondContact O-CE2 3.26Å; K12-Y123 PolarHBondContact O-OH 2.93Å; L82-Y123 HydrophobicContact CD1-CD1 3.8Å; L82-Y123 HydrophobicContact CD1-CE1 3.69Å; F86-Y123 HydrophobicContact CD1-CD1 4.1Å; F86-Y123 HydrophobicContact CE1-CD1 4.38Å; E118-Y123 WeakPolarHBondContact CA-O 3.41Å; A119-Y123 PolarHBondContact N-O 3.14Å; Y123-A197 HydrophobicContact CE1-CB 4.29Å; Y123-A197 WeakPolarHBondContact OH-CB 3.39Å; Y123-A197 PolarHBondContact OH-O 2.8Å
124R98.8Very high97.7Very high107 Ų10747.9 Ų47.940%0.40425%0.247SC..EExtended strand (participates in β ladder)trans-80.9131.6-175.2-64.4-175.3177.6166.62.9112.6G88 L89 L116 G122 Y126G88-R124 CarbonylContact C-O 3.52Å; G88-R124 WeakPolarHBondContact CA-O 3.35Å; L89-R124 PolarHBondContact N-O 3.07Å; L116-R124 HydrophobicContact CD1-CB 3.7Å; L116-R124 HydrophobicContact CD1-CG 3.91Å; G122-R124 PolarHBondContact O-N 2.89Å; R124-Y126 HydrophobicContact CB-CE2 4.39Å
125F98.9Very high97.4Very high0 Ų049.3 Ų49.30%026%0.255CS..EExtended strand (participates in β ladder)trans-122.4123.8171.8-78.8-105000109.6F11 F22 Y23 L27 L89 L91 L116 A117 A119 L127F11-F125 HydrophobicContact CE2-CZ 4.4Å; F11-F125 HydrophobicContact CZ-CE2 4.49Å; F11-F125 HydrophobicContact CZ-CZ 4.09Å; F22-F125 HydrophobicContact CE1-CD1 4.3Å; F22-F125 AromaticContact CE1-CD2 3.71Å; F22-F125 HydrophobicContact CE1-CD2 3.71Å; F22-F125 HydrophobicContact CE1-CE1 4.39Å; F22-F125 AromaticContact CE1-CE2 3.84Å; F22-F125 HydrophobicContact CE1-CE2 3.84Å; F22-F125 AromaticContact CE1-CG 3.98Å; F22-F125 HydrophobicContact CE1-CG 3.98Å; F22-F125 HydrophobicContact CE1-CZ 4.19Å; F22-F125 HydrophobicContact CZ-CB 4.06Å; F22-F125 HydrophobicContact CZ-CD1 4.41Å; F22-F125 AromaticContact CZ-CD2 3.77Å; F22-F125 HydrophobicContact CZ-CD2 3.77Å; F22-F125 HydrophobicContact CZ-CE2 4.37Å; F22-F125 AromaticContact CZ-CG 3.81Å; F22-F125 HydrophobicContact CZ-CG 3.81Å; Y23-F125 HydrophobicContact CE1-CE1 4.17Å; Y23-F125 AromaticContact CE1-CZ 3.73Å; Y23-F125 HydrophobicContact CE1-CZ 3.73Å; Y23-F125 AromaticContact CZ-CZ 3.77Å; Y23-F125 VanDerWaalsContact OH-CZ 3.3Å; Y23-F125 WeakPolarHBondContact OH-CZ 3.33Å; L27-F125 HydrophobicContact CD1-CD1 3.85Å; L27-F125 HydrophobicContact CD1-CE1 3.84Å; L89-F125 HydrophobicContact CB-CD1 4.16Å; L89-F125 HydrophobicContact CB-CE1 4Å; L89-F125 HydrophobicContact CB-CZ 4.38Å; L89-F125 HydrophobicContact CD1-CE1 4.08Å; L89-F125 HydrophobicContact CD1-CZ 4.49Å; L89-F125 HydrophobicContact CD2-CD1 3.87Å; L89-F125 HydrophobicContact CD2-CE1 3.77Å; L89-F125 HydrophobicContact CG-CE1 4.17Å; L89-F125 CarbonylContact O-C 3.5Å; L89-F125 VanDerWaalsContact O-CA 3.31Å; L89-F125 WeakPolarHBondContact O-CA 3.34Å; L91-F125 HydrophobicContact CD2-CD1 4.1Å; L116-F125 WeakPolarHBondContact CA-O 3.42Å; A117-F125 PolarHBondContact N-O 2.82Å; A117-F125 PolarHBondContact O-N 3.49Å; A119-F125 HydrophobicContact CB-CD2 4.07Å; A119-F125 HydrophobicContact CB-CE2 3.84Å; F125-L127 HydrophobicContact CB-CD2 4.31Å
126Y98.9Very high97.3Very high53 Ų5348.6 Ų48.621%0.20825%0.253CS..EExtended strand (participates in β ladder)trans-98.5114.1175.3-63.2-83.6000109.5L87 L89 T90 L91 V110 Y115 L116 R124L87-Y126 WeakPolarHBondContact O-CE2 3.42Å; L89-Y126 PolarHBondContact O-N 2.94Å; T90-Y126 WeakPolarHBondContact CA-O 3.39Å; L91-Y126 PolarHBondContact N-O 2.81Å; V110-Y126 HydrophobicContact CG2-CD1 4.08Å; V110-Y126 HydrophobicContact CG2-CE1 4.21Å; Y115-Y126 CarbonylContact O-C 3.48Å; Y115-Y126 WeakPolarHBondContact O-CA 3.43Å; L116-Y126 HydrophobicContact CB-CD1 4.47Å; L116-Y126 HydrophobicContact CB-CE1 4.4Å; L116-Y126 HydrophobicContact CD1-CD1 4.37Å; L116-Y126 HydrophobicContact CD1-CE1 4.07Å; R124-Y126 HydrophobicContact CB-CE2 4.39Å
127L98.8Very high97.3Very high0 Ų047.9 Ų47.90%025%0.25CC..EExtended strand (participates in β ladder)trans-99.2109.6-178.1-46.7-175.6000109L27 L91 A96 V97 L107 Y115 A117 F125 D129L27-L127 HydrophobicContact CD2-CD2 3.78Å; L91-L127 HydrophobicContact CD1-CD2 3.74Å; L91-L127 HydrophobicContact CD2-CD2 4Å; L91-L127 HydrophobicContact CG-CD2 3.76Å; L91-L127 WeakPolarHBondContact O-CA 3.31Å; A96-L127 HydrophobicContact CB-CD1 4.28Å; V97-L127 HydrophobicContact CG2-CB 3.76Å; V97-L127 HydrophobicContact CG2-CD1 4.22Å; L107-L127 HydrophobicContact CD2-CD1 4Å; Y115-L127 PolarHBondContact N-O 2.95Å; Y115-L127 PolarHBondContact O-N 2.72Å; A117-L127 HydrophobicContact CB-CD1 4.14Å; A117-L127 HydrophobicContact CB-CG 4.45Å; F125-L127 HydrophobicContact CB-CD2 4.31Å; L127-D129 PolarHBondContact O-N 3.37Å
128V98.8Very high97.3Very high22 Ų2248.1 Ų48.113%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-77.4115.8170.1-1770000107.8T90 L91 Q92 S93 L114 K130T90-V128 HydrophobicContact CG2-CG2 3.99Å; L91-V128 PolarHBondContact O-N 2.92Å; Q92-V128 HydrophobicContact CB-CB 4.19Å; Q92-V128 HydrophobicContact CG-CB 4.22Å; Q92-V128 HydrophobicContact CG-CG1 4.27Å; S93-V128 PolarHBondContact N-O 2.85Å; L114-V128 HydrophobicContact CD1-CG2 3.85Å; V128-K130 HydrophobicContact CG1-CB 4.44Å; V128-K130 HydrophobicContact CG1-CD 3.98Å; V128-K130 HydrophobicContact CG1-CG 4.03Å; V128-K130 PolarHBondContact O-N 3.2Å
129D98.6Very high97.3Very high47 Ų4748 Ų4825%0.25125%0.251SS..  trans-78.371.8-176.7-166.27.3000111.1S94 V97 A113 Y115 L127S94-D129 VanDerWaalsContact CA-OD1 3.22Å; S94-D129 WeakPolarHBondContact CA-OD1 3.49Å; S94-D129 WeakPolarHBondContact CB-OD1 3.33Å; V97-D129 HydrophobicContact CG2-CB 4.02Å; A113-D129 HydrophobicContact CB-CB 4.17Å; A113-D129 PolarHBondContact O-N 3.22Å; Y115-D129 HydrophobicContact CD2-CB 4.11Å; Y115-D129 HydrophobicContact CE2-CB 3.87Å; L127-D129 PolarHBondContact O-N 3.37Å
130K98.3Very high97.3Very high121 Ų12150.2 Ų50.253%0.52626%0.26SS..SBendtrans-141.7157.4175-64.4179.3-177.3176.30109.3Q92 S93 S94 V128Q92-K130 HydrophobicContact CG-CB 3.83Å; S93-K130 CarbonylContact C-O 3.59Å; S93-K130 WeakPolarHBondContact CA-O 3.35Å; S93-K130 PolarHBondContact N-O 3.23Å; S94-K130 PolarHBondContact N-O 3.28Å; V128-K130 HydrophobicContact CG1-CB 4.44Å; V128-K130 HydrophobicContact CG1-CD 3.98Å; V128-K130 HydrophobicContact CG1-CG 4.03Å; V128-K130 PolarHBondContact O-N 3.2Å
131E97.9Very high97.4Very high162 Ų16250 Ų5076%0.75726%0.258SS*.PPolyproline II helixtrans-54.3145174.1-66.5-174.2166.300111.3Q92Q92-E131 PolarHBondContact NE2-O 2.77Å
132Q97.4Very high97.6Very high87 Ų8749 Ų4941%0.40725%0.247SC..PPolyproline II helixtrans-60137.1177.9-70.2179.74.800109.7Q92 S93 P137Q92-Q132 WeakPolarHBondContact O-CG 3.19Å; S93-Q132 PolarHBondContact OG-NE2 3.4Å; Q132-P137 HydrophobicContact CB-CG 4.2Å; Q132-P137 HydrophobicContact CG-CB 4.37Å; Q132-P137 HydrophobicContact CG-CG 4.02Å
133P95.1Very high97.7Very high34 Ų3448.4 Ų48.422%0.22124%0.24CC..PPolyproline II helixtrans-69.5167.117534.4-35.9000110.2N135P133-N135 VanDerWaalsContact CB-OD1 3.26Å; P133-N135 WeakPolarHBondContact CB-OD1 3.39Å; P133-N135 WeakPolarHBondContact CG-OD1 3.22Å; P133-N135 PolarHBondContact O-N 2.66Å; P133-N135 VanDerWaalsContact O-O 3.14Å
134P91.8Very high97.7Very high147 Ų14748.2 Ų48.296%0.95524%0.24SC*.SBendtrans-68.3-13.2178.527.9-36000113.8
135N92.3Very high97.7Very high80 Ų8043.1 Ų43.143%0.42822%0.22SC..SBendtrans-109.2-170.2174.462.3-20.4000110.6P133 P137P133-N135 VanDerWaalsContact CB-OD1 3.26Å; P133-N135 WeakPolarHBondContact CB-OD1 3.39Å; P133-N135 WeakPolarHBondContact CG-OD1 3.22Å; P133-N135 PolarHBondContact O-N 2.66Å; P133-N135 VanDerWaalsContact O-O 3.14Å; N135-P137 WeakPolarHBondContact O-CD 3.48Å
136D97.1Very high97.6Very high17 Ų1745.9 Ų45.99%0.09124%0.239CC..  trans-50.6122.4-178.8-173.23.4000112.7H66 F67 V138H66-D136 IonicContact CD2-OD1 2.84Å; F67-D136 WeakPolarHBondContact CB-OD2 3.31Å; F67-D136 PolarHBondContact N-OD2 2.89Å; D136-V138 PolarHBondContact O-N 2.84Å; D136-V138 PolarHBondContact OD1-N 3.4Å
137P98Very high97.6Very high3 Ų345.5 Ų45.52%0.01924%0.241CC..SBendtrans-64.9-20.2174.5-24.636000114.7F60 L91 Q92 Q132 N135 Q139F60-P137 HydrophobicContact CB-CG 4.01Å; F60-P137 HydrophobicContact CD1-CG 4.1Å; F60-P137 HydrophobicContact CD2-CB 3.79Å; F60-P137 HydrophobicContact CD2-CG 3.76Å; F60-P137 HydrophobicContact CE2-CB 3.85Å; F60-P137 HydrophobicContact CE2-CG 4.24Å; F60-P137 HydrophobicContact CG-CB 4.22Å; F60-P137 HydrophobicContact CG-CG 3.68Å; F60-P137 HydrophobicContact CZ-CB 4.34Å; L91-P137 CarbonylContact C-O 3.59Å; L91-P137 VanDerWaalsContact CA-O 3.23Å; L91-P137 WeakPolarHBondContact CA-O 3.45Å; Q92-P137 PolarHBondContact N-O 3.18Å; Q132-P137 HydrophobicContact CB-CG 4.2Å; Q132-P137 HydrophobicContact CG-CB 4.37Å; Q132-P137 HydrophobicContact CG-CG 4.02Å; N135-P137 WeakPolarHBondContact O-CD 3.48Å; P137-Q139 PolarHBondContact O-N 3.33Å
138V98.6Very high97.5Very high6 Ų645.9 Ų45.94%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-74.8121.7178.1-178.40000110.3M29 F60 F67 L89 D136 C181M29-V138 HydrophobicContact CE-CG2 4.32Å; F60-V138 HydrophobicContact CD2-CG2 4.02Å; F60-V138 HydrophobicContact CE2-CG2 4.09Å; F67-V138 HydrophobicContact CB-CB 4.32Å; F67-V138 HydrophobicContact CB-CG1 4.25Å; F67-V138 HydrophobicContact CD1-CG1 3.77Å; F67-V138 HydrophobicContact CG-CG1 4.3Å; L89-V138 HydrophobicContact CD1-CG1 4.31Å; L89-V138 HydrophobicContact CD2-CG1 3.89Å; L89-V138 HydrophobicContact CD2-CG2 4.44Å; L89-V138 HydrophobicContact CG-CG1 4.15Å; D136-V138 PolarHBondContact O-N 2.84Å; D136-V138 PolarHBondContact OD1-N 3.4Å; V138-C181 HydrophobicContact CG1-CB 4.44Å
139Q98.3Very high97.4Very high70 Ų7052.3 Ų52.333%0.32727%0.271SS..EExtended strand (participates in β ladder)trans-98.4-48.5-172.9-63.7-172.1-27.600112.8T90 P137 K182T90-Q139 PolarHBondContact O-N 3.27Å; P137-Q139 PolarHBondContact O-N 3.33Å; Q139-K182 PolarHBondContact O-N 2.95Å
140K98.7Very high97.3Very high47 Ų4756 Ų5620%0.20429%0.286CS..EExtended strand (participates in β ladder)trans-158.4155.2-17559.1172.6174.3171.20113.9L89 T90 L173 K182 E184L89-K140 WeakPolarHBondContact CA-O 3.5Å; T90-K140 PolarHBondContact N-O 2.93Å; T90-K140 PolarHBondContact O-N 3.3Å; K140-L173 HydrophobicContact CB-CD1 4.43Å; K140-L173 HydrophobicContact CD-CD1 4.06Å; K140-K182 CarbonylContact C-O 3.55Å; K140-K182 WeakPolarHBondContact CA-O 3.19Å; K140-K182 HydrophobicContact CB-CB 4.06Å; K140-K182 WeakPolarHBondContact CB-O 3.37Å; K140-E184 HydrophobicContact CD-CB 4.04Å; K140-E184 IonicContact NZ-OE1 2.69Å; K140-E184 PolarHBondContact NZ-OE1 3.11Å; K140-E184 IonicContact NZ-OE2 2.8Å; K140-E184 PolarHBondContact NZ-OE2 3.26Å
141V98.9Very high97.3Very high0 Ų050.3 Ų50.30%026%0.261CS..EExtended strand (participates in β ladder)trans-105.6135.1161.3173.10000108.6F9 F67 F86 L89 L143 K182 E184 I201F9-V141 HydrophobicContact CB-CG2 4.42Å; F9-V141 HydrophobicContact CD2-CG1 3.94Å; F9-V141 HydrophobicContact CE2-CG1 4.15Å; F67-V141 HydrophobicContact CE1-CG2 3.76Å; F67-V141 HydrophobicContact CZ-CG2 3.65Å; F86-V141 HydrophobicContact CD2-CG1 4.32Å; F86-V141 HydrophobicContact CE2-CG1 3.97Å; L89-V141 HydrophobicContact CD1-CG2 4.36Å; L89-V141 HydrophobicContact CG-CG2 4.47Å; V141-L143 HydrophobicContact CG1-CD2 4.01Å; V141-L143 HydrophobicContact CG1-CG 4.21Å; V141-K182 PolarHBondContact N-O 3.1Å; V141-E184 PolarHBondContact O-N 3.37Å; V141-I201 HydrophobicContact CB-CD1 4.42Å
142C98.8Very high97.4Very high7 Ų743.3 Ų43.35%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-110.4121.8178.5-168.10000110.3L87 G88 E184L87-C142 HydrophobicContact CB-CB 4.04Å; L87-C142 PolarHBondContact N-O 3.35Å; G88-C142 PolarHBondContact N-O 2.96Å; G88-C142 PolarHBondContact O-N 3.18Å; C142-E184 CarbonylContact C-O 3.55Å; C142-E184 VanDerWaalsContact CA-O 3.29Å; C142-E184 WeakPolarHBondContact CA-O 3.26Å; C142-E184 HydrophobicContact CB-CB 4.3Å; C142-E184 PolarHBondContact SG-OE2 2.81Å
143L98.9Very high97.4Very high3 Ų343.9 Ų43.92%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-116.9141178.2-60.1-177.5000110.8F9 D85 F86 V141 L183 E184 L185 H186 H250F9-L143 HydrophobicContact CE2-CD2 4.04Å; F9-L143 HydrophobicContact CZ-CD2 4.4Å; D85-L143 WeakPolarHBondContact O-CA 3.46Å; F86-L143 HydrophobicContact CD2-CD2 4.15Å; V141-L143 HydrophobicContact CG1-CD2 4.01Å; V141-L143 HydrophobicContact CG1-CG 4.21Å; L143-L183 HydrophobicContact CB-CD1 4.49Å; L143-L183 HydrophobicContact CD1-CD1 3.85Å; L143-L183 HydrophobicContact CG-CD1 3.94Å; L143-E184 PolarHBondContact N-O 2.94Å; L143-L185 HydrophobicContact CB-CD2 4.29Å; L143-L185 WeakPolarHBondContact O-CA 3.39Å; L143-H186 PolarHBondContact O-N 2.94Å; L143-H250 HydrophobicContact CD1-CB 4.25Å
144A98.8Very high97.6Very high0 Ų042.3 Ų42.30%022%0.221CC..EExtended strand (participates in β ladder)trans-74.2139.6173.400000110.8N84 D85 L87 H186 I188 V192 H250N84-A144 WeakPolarHBondContact O-CB 3.47Å; D85-A144 PolarHBondContact O-N 2.87Å; L87-A144 HydrophobicContact CD1-CB 4Å; L87-A144 HydrophobicContact CD2-CB 4.19Å; L87-A144 HydrophobicContact CG-CB 4.03Å; A144-H186 CarbonylContact C-O 3.59Å; A144-H186 WeakPolarHBondContact CA-O 3.3Å; A144-I188 HydrophobicContact CB-CD1 4.01Å; A144-I188 HydrophobicContact CB-CG1 4.2Å; A144-I188 HydrophobicContact CB-CG2 3.58Å; A144-V192 HydrophobicContact CB-CG2 4.24Å; A144-H250 PolarHBondContact O-NE2 2.94Å
145V98.8Very high97.9Very high0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-131.9150.9173.3-65.20000110.3L148 L185 H186 N187 I188 D248V145-L148 HydrophobicContact CG2-CD1 3.77Å; V145-L185 HydrophobicContact CG1-CB 4.01Å; V145-L185 HydrophobicContact CG1-CD1 4.27Å; V145-L185 HydrophobicContact CG1-CD2 3.92Å; V145-L185 HydrophobicContact CG1-CG 4.3Å; V145-L185 HydrophobicContact CG2-CB 4.04Å; V145-H186 PolarHBondContact N-O 2.88Å; V145-N187 VanDerWaalsContact O-CA 3.32Å; V145-N187 WeakPolarHBondContact O-CA 3.35Å; V145-I188 PolarHBondContact O-N 3.12Å; V145-I188 VanDerWaalsContact O-N 3.08Å; V145-D248 VanDerWaalsContact CA-OD2 3.24Å; V145-D248 WeakPolarHBondContact CA-OD2 3.21Å; V145-D248 WeakPolarHBondContact CB-OD2 3.38Å; V145-D248 WeakPolarHBondContact CG1-OD2 3.29Å
146S97.9Very high98.2Very high57 Ų5733.1 Ų33.140%0.39917%0.167SC..SBendtrans-87.5-26.9176.464.80000112.8G190 D248S146-G190 WeakPolarHBondContact CB-O 3.23Å; S146-D248 WeakPolarHBondContact CB-OD1 3.26Å; S146-D248 VanDerWaalsContact N-CG 3.32Å; S146-D248 PolarHBondContact N-OD1 3.46Å; S146-D248 PolarHBondContact N-OD2 3.4Å; S146-D248 VanDerWaalsContact N-OD2 3.09Å; S146-D248 PolarHBondContact OG-OD1 3.07Å
147D97.4Very high98.2Very high46 Ų4636 Ų3625%0.24619%0.188CC..  trans-141.2100.3-178.5-175.2-37.4000110.3Q149 K150 S151D147-Q149 PolarHBondContact O-N 3.06Å; D147-Q149 PolarHBondContact OD1-N 2.97Å; D147-K150 HydrophobicContact CB-CB 4.1Å; D147-K150 HydrophobicContact CB-CD 4.24Å; D147-K150 HydrophobicContact CB-CG 4.22Å; D147-K150 PolarHBondContact O-N 3.04Å; D147-K150 PolarHBondContact OD1-N 3.47Å; D147-K150 WeakPolarHBondContact OD2-CE 3.3Å; D147-K150 WeakPolarHBondContact OD2-CG 3.47Å; D147-K150 IonicContact OD2-NZ 3.98Å; D147-K150 PolarHBondContact OD2-NZ 2.97Å; D147-S151 PolarHBondContact O-N 3.45Å; D147-S151 PolarHBondContact O-OG 2.94Å; D147-S151 VanDerWaalsContact O-OG 3.08Å
148L97.4Very high98.2Very high7 Ų736.9 Ų36.94%0.03719%0.193CC..Hα-helixtrans-60.6-31.8-175.2-161.966.8000112.6V145 T152 E169 V172 L185 N187V145-L148 HydrophobicContact CG2-CD1 3.77Å; L148-T152 VanDerWaalsContact O-CB 3.26Å; L148-T152 WeakPolarHBondContact O-CB 3.11Å; L148-T152 PolarHBondContact O-N 3.12Å; L148-T152 PolarHBondContact O-OG1 3.05Å; L148-E169 VanDerWaalsContact CD2-C 3.5Å; L148-E169 WeakPolarHBondContact CD2-O 3.43Å; L148-V172 HydrophobicContact CD1-CB 4.39Å; L148-V172 HydrophobicContact CD1-CG1 3.8Å; L148-V172 HydrophobicContact CG-CG1 4.31Å; L148-L185 HydrophobicContact CD1-CB 3.95Å; L148-N187 HydrophobicContact CB-CB 4.28Å
149Q96.5Very high98.2Very high157 Ų15737.2 Ų37.273%0.73419%0.194SC*.Hα-helixtrans-72.2-47.7-178.9-175.6179.1-7.700110.7D147 T152 H153D147-Q149 PolarHBondContact O-N 3.06Å; D147-Q149 PolarHBondContact OD1-N 2.97Å; Q149-T152 PolarHBondContact O-N 3.14Å; Q149-H153 PolarHBondContact O-N 2.96Å
150K97.3Very high98.1Very high126 Ų12635.9 Ų35.955%0.54820%0.199SC..Hα-helixtrans-59.9-46.4175.6-71.9-171.8-172.8103.80111.4D147 H153 Y154D147-K150 HydrophobicContact CB-CB 4.1Å; D147-K150 HydrophobicContact CB-CD 4.24Å; D147-K150 HydrophobicContact CB-CG 4.22Å; D147-K150 PolarHBondContact O-N 3.04Å; D147-K150 PolarHBondContact OD1-N 3.47Å; D147-K150 WeakPolarHBondContact OD2-CE 3.3Å; D147-K150 WeakPolarHBondContact OD2-CG 3.47Å; D147-K150 IonicContact OD2-NZ 3.98Å; D147-K150 PolarHBondContact OD2-NZ 2.97Å; K150-H153 PolarHBondContact O-N 3.21Å; K150-Y154 PolarHBondContact O-N 3.29Å
151S98.4Very high98.1Very high0 Ų033.9 Ų33.90%019%0.191CC..Hα-helixtrans-69-38.5-178.9-49.20000111.2D147 H153 Y154 W155 D248D147-S151 PolarHBondContact O-N 3.45Å; D147-S151 PolarHBondContact O-OG 2.94Å; D147-S151 VanDerWaalsContact O-OG 3.08Å; S151-H153 VanDerWaalsContact C-N 3.34Å; S151-H153 PolarHBondContact O-N 3.4Å; S151-Y154 PolarHBondContact O-N 2.87Å; S151-W155 WeakPolarHBondContact O-CB 3.14Å; S151-W155 PolarHBondContact O-N 2.96Å; S151-D248 PolarHBondContact OG-OD2 2.92Å; S151-D248 VanDerWaalsContact OG-OD2 3.11Å
152T98.4Very high98Very high16 Ų1640.8 Ų40.810%0.09822%0.22CC..Hα-helixtrans-58.1-46.6171.3-56.80000111.1L148 Q149 Y154 W155 S156 V163 R166L148-T152 VanDerWaalsContact O-CB 3.26Å; L148-T152 WeakPolarHBondContact O-CB 3.11Å; L148-T152 PolarHBondContact O-N 3.12Å; L148-T152 PolarHBondContact O-OG1 3.05Å; Q149-T152 PolarHBondContact O-N 3.14Å; T152-Y154 PolarHBondContact O-N 2.72Å; T152-W155 PolarHBondContact O-N 2.77Å; T152-S156 WeakPolarHBondContact O-CB 3.5Å; T152-S156 PolarHBondContact O-N 2.92Å; T152-V163 HydrophobicContact CG2-CG2 4.04Å; T152-R166 PolarHBondContact OG1-NH2 3.36Å
153H98.4Very high98Very high98 Ų9843.5 Ų43.545%0.45424%0.237SC..Iπ-helixtrans-60.8-46.8-179.7176.168000111.3Q149 K150 S151 S157 L158Q149-H153 PolarHBondContact O-N 2.96Å; K150-H153 PolarHBondContact O-N 3.21Å; S151-H153 VanDerWaalsContact C-N 3.34Å; S151-H153 PolarHBondContact O-N 3.4Å; H153-S157 WeakPolarHBondContact ND1-CB 3.47Å; H153-S157 PolarHBondContact ND1-OG 3.32Å; H153-S157 VanDerWaalsContact ND1-OG 3.14Å; H153-S157 WeakPolarHBondContact O-CA 3.42Å; H153-S157 WeakPolarHBondContact O-CB 3.34Å; H153-S157 PolarHBondContact O-N 2.86Å; H153-S157 PolarHBondContact O-OG 3.36Å; H153-L158 PolarHBondContact O-N 3.35Å
154Y98.8Very high97.9Very high2 Ų246.7 Ų46.71%0.00825%0.253CS..Iπ-helixtrans-56.6-56.8176.6-178.8-88.2000111.9K150 S151 T152 S156 L158 L159 M217 Q222 A245 D246 P247 I252K150-Y154 PolarHBondContact O-N 3.29Å; S151-Y154 PolarHBondContact O-N 2.87Å; T152-Y154 PolarHBondContact O-N 2.72Å; Y154-S156 PolarHBondContact O-N 3.28Å; Y154-L158 HydrophobicContact CD2-CD1 3.99Å; Y154-L158 VanDerWaalsContact O-CB 3.27Å; Y154-L158 WeakPolarHBondContact O-CB 3.44Å; Y154-L158 PolarHBondContact O-N 3.48Å; Y154-L159 HydrophobicContact CD1-CD1 4.02Å; Y154-L159 HydrophobicContact CD1-CG 4.46Å; Y154-L159 HydrophobicContact CE1-CD1 3.45Å; Y154-L159 VanDerWaalsContact CE1-CD1 3.45Å; Y154-L159 HydrophobicContact CE1-CG 4.07Å; Y154-L159 PolarHBondContact O-N 3.45Å; Y154-L159 VanDerWaalsContact O-N 3.12Å; Y154-M217 HydrophobicContact CE2-SD 4.11Å; Y154-Q222 HydrophobicContact CD2-CG 4.23Å; Y154-Q222 HydrophobicContact CE2-CB 4.15Å; Y154-Q222 HydrophobicContact CE2-CG 3.99Å; Y154-A245 PolarHBondContact OH-O 2.66Å; Y154-D246 HydrophobicContact CD1-CB 3.88Å; Y154-D246 HydrophobicContact CE1-CB 3.6Å; Y154-P247 HydrophobicContact CD2-CG 4.04Å; Y154-P247 HydrophobicContact CG-CG 3.95Å; Y154-I252 HydrophobicContact CE1-CD1 3.64Å
155W98.6Very high97.8Very high0 Ų051.6 Ų51.60%028%0.276CS..Iπ-helixtrans-70.8-34.5-173.9-76.199.9000113.4S151 T152 L159 G160 M161 M174 L183 L185 I201 F203 D246 I252S151-W155 WeakPolarHBondContact O-CB 3.14Å; S151-W155 PolarHBondContact O-N 2.96Å; T152-W155 PolarHBondContact O-N 2.77Å; W155-L159 HydrophobicContact CD2-CD1 4.11Å; W155-L159 HydrophobicContact CE3-CD1 3.52Å; W155-L159 HydrophobicContact CH2-CD1 4.45Å; W155-L159 HydrophobicContact CZ3-CD1 3.71Å; W155-L159 WeakPolarHBondContact O-CB 3.5Å; W155-G160 PolarHBondContact O-N 2.87Å; W155-M161 HydrophobicContact CE3-CE 3.7Å; W155-M161 HydrophobicContact CE3-SD 3.78Å; W155-M161 HydrophobicContact CZ3-CE 3.69Å; W155-M161 HydrophobicContact CZ3-SD 4.37Å; W155-M161 WeakPolarHBondContact O-CB 3.49Å; W155-M161 PolarHBondContact O-N 3.34Å; W155-M174 HydrophobicContact CB-CE 3.42Å; W155-M174 VanDerWaalsContact CB-CE 3.42Å; W155-M174 HydrophobicContact CB-SD 4.02Å; W155-M174 HydrophobicContact CG-CE 3.93Å; W155-L183 HydrophobicContact CD2-CD2 3.53Å; W155-L183 HydrophobicContact CE3-CD2 3.57Å; W155-L183 HydrophobicContact CG-CD2 4.19Å; W155-L183 HydrophobicContact CH2-CD2 3.75Å; W155-L183 HydrophobicContact CZ2-CD2 3.72Å; W155-L183 HydrophobicContact CZ3-CD2 3.7Å; W155-L185 HydrophobicContact CG-CD1 4.34Å; W155-I201 HydrophobicContact CH2-CG2 3.88Å; W155-F203 AromaticContact CH2-CE2 3.92Å; W155-F203 HydrophobicContact CH2-CE2 3.92Å; W155-F203 HydrophobicContact CH2-CZ 4.38Å; W155-F203 AromaticContact CZ3-CE2 3.58Å; W155-F203 HydrophobicContact CZ3-CE2 3.58Å; W155-F203 AromaticContact CZ3-CZ 3.91Å; W155-F203 HydrophobicContact CZ3-CZ 3.91Å; W155-D246 HydrophobicContact CZ2-CB 4.27Å; W155-D246 PolarHBondContact NE1-OD2 2.99Å; W155-I252 HydrophobicContact CH2-CD1 3.26Å; W155-I252 HydrophobicContact CH2-CG1 3.57Å; W155-I252 HydrophobicContact CH2-CG2 4.2Å; W155-I252 HydrophobicContact CZ2-CD1 3.39Å; W155-I252 HydrophobicContact CZ2-CG1 3.87Å; W155-I252 HydrophobicContact CZ3-CD1 3.92Å; W155-I252 HydrophobicContact CZ3-CG1 4.49Å; W155-I252 HydrophobicContact CZ3-CG2 4.5Å
156S97.8Very high97.7Very high34 Ų3457 Ų5724%0.23830%0.297CS..Iπ-helixtrans-92-50.1-177.6-171.90000113.2T152 Y154 G160 M161T152-S156 WeakPolarHBondContact O-CB 3.5Å; T152-S156 PolarHBondContact O-N 2.92Å; Y154-S156 PolarHBondContact O-N 3.28Å; S156-G160 VanDerWaalsContact O-CA 3.25Å; S156-G160 WeakPolarHBondContact O-CA 3.5Å; S156-G160 PolarHBondContact O-N 3.33Å; S156-M161 VanDerWaalsContact CA-O 3.25Å; S156-M161 WeakPolarHBondContact CA-O 3.48Å; S156-M161 WeakPolarHBondContact CB-O 3.44Å; S156-M161 PolarHBondContact OG-O 3.41Å
157S97.6Very high97.5Very high78 Ų7859.3 Ų59.355%0.54530%0.301SS..Iπ-helixtrans-80.1-33.9-174.3-51.70000112.9H153H153-S157 WeakPolarHBondContact ND1-CB 3.47Å; H153-S157 PolarHBondContact ND1-OG 3.32Å; H153-S157 VanDerWaalsContact ND1-OG 3.14Å; H153-S157 WeakPolarHBondContact O-CA 3.42Å; H153-S157 WeakPolarHBondContact O-CB 3.34Å; H153-S157 PolarHBondContact O-N 2.86Å; H153-S157 PolarHBondContact O-OG 3.36Å
158L98.2Very high97.1Very high21 Ų2165.2 Ų65.211%0.1133%0.327CS..Iπ-helixtrans-95.2-48.4-179.1-48.7-175.8000111.9H153 Y154 L216 M217 E220 Q222H153-L158 PolarHBondContact O-N 3.35Å; Y154-L158 HydrophobicContact CD2-CD1 3.99Å; Y154-L158 VanDerWaalsContact O-CB 3.27Å; Y154-L158 WeakPolarHBondContact O-CB 3.44Å; Y154-L158 PolarHBondContact O-N 3.48Å; L158-L216 WeakPolarHBondContact O-CD2 3.49Å; L158-M217 HydrophobicContact CB-CE 3.86Å; L158-E220 HydrophobicContact CD1-CB 4.31Å; L158-E220 HydrophobicContact CD2-CB 4.49Å; L158-E220 HydrophobicContact CD2-CG 4Å; L158-Q222 HydrophobicContact CD1-CG 3.72Å
159L98Very high96.6Very high13 Ų1372.6 Ų72.67%0.06836%0.361CS..THydrogen-bonded Turntrans-87.3-9.4-178.4-62.7-177.8000114Y154 W155 F176 L213 M217 L244 I252 F254Y154-L159 HydrophobicContact CD1-CD1 4.02Å; Y154-L159 HydrophobicContact CD1-CG 4.46Å; Y154-L159 HydrophobicContact CE1-CD1 3.45Å; Y154-L159 VanDerWaalsContact CE1-CD1 3.45Å; Y154-L159 HydrophobicContact CE1-CG 4.07Å; Y154-L159 PolarHBondContact O-N 3.45Å; Y154-L159 VanDerWaalsContact O-N 3.12Å; W155-L159 HydrophobicContact CD2-CD1 4.11Å; W155-L159 HydrophobicContact CE3-CD1 3.52Å; W155-L159 HydrophobicContact CH2-CD1 4.45Å; W155-L159 HydrophobicContact CZ3-CD1 3.71Å; W155-L159 WeakPolarHBondContact O-CB 3.5Å; L159-F176 VanDerWaalsContact O-CE1 3.23Å; L159-F176 WeakPolarHBondContact O-CE1 3.27Å; L159-L213 HydrophobicContact CD2-CD1 3.78Å; L159-M217 HydrophobicContact CD2-CE 3.36Å; L159-M217 HydrophobicContact CG-CE 4.12Å; L159-L244 HydrophobicContact CD2-CD1 4.06Å; L159-I252 HydrophobicContact CD1-CD1 3.9Å; L159-F254 HydrophobicContact CD1-CE2 4.19Å; L159-F254 HydrophobicContact CD2-CE2 3.77Å; L159-F254 HydrophobicContact CD2-CZ 4.04Å
160G96.9Very high96.5Very high42 Ų4270.8 Ų70.843%0.43335%0.351SS..  trans80.314.3172.200000115.5W155 S156W155-G160 PolarHBondContact O-N 2.87Å; S156-G160 VanDerWaalsContact O-CA 3.25Å; S156-G160 WeakPolarHBondContact O-CA 3.5Å; S156-G160 PolarHBondContact O-N 3.33Å
161M97.8Very high96.6Very high5 Ų565.6 Ų65.63%0.02533%0.33CS..PPolyproline II helixtrans-67.9143.1171.7-67.7-167.2172.900111.3W155 S156 M174 F176 L183 F203W155-M161 HydrophobicContact CE3-CE 3.7Å; W155-M161 HydrophobicContact CE3-SD 3.78Å; W155-M161 HydrophobicContact CZ3-CE 3.69Å; W155-M161 HydrophobicContact CZ3-SD 4.37Å; W155-M161 WeakPolarHBondContact O-CB 3.49Å; W155-M161 PolarHBondContact O-N 3.34Å; S156-M161 VanDerWaalsContact CA-O 3.25Å; S156-M161 WeakPolarHBondContact CA-O 3.48Å; S156-M161 WeakPolarHBondContact CB-O 3.44Å; S156-M161 PolarHBondContact OG-O 3.41Å; M161-M174 HydrophobicContact CB-CB 4.07Å; M161-M174 HydrophobicContact SD-CB 4.08Å; M161-F176 HydrophobicContact CE-CD2 4.11Å; M161-F176 HydrophobicContact CE-CE2 3.54Å; M161-F176 HydrophobicContact CE-CZ 4Å; M161-F176 HydrophobicContact CG-CD1 4.15Å; M161-F176 HydrophobicContact CG-CD2 4.38Å; M161-F176 HydrophobicContact CG-CE1 3.73Å; M161-F176 HydrophobicContact CG-CE2 3.98Å; M161-F176 HydrophobicContact CG-CG 4.46Å; M161-F176 HydrophobicContact CG-CZ 3.64Å; M161-L183 HydrophobicContact CE-CB 4.44Å; M161-L183 HydrophobicContact CE-CD2 4.27Å; M161-L183 HydrophobicContact SD-CB 4.24Å; M161-L183 HydrophobicContact SD-CD2 4.12Å; M161-F203 HydrophobicContact CE-CD1 4.25Å; M161-F203 HydrophobicContact CE-CE1 3.39Å; M161-F203 HydrophobicContact CE-CE2 4.02Å; M161-F203 HydrophobicContact CE-CZ 3.25Å
162K97.6Very high96.6Very high144 Ų14465.6 Ų65.663%0.62633%0.33SS*.EExtended strand (participates in β ladder)trans-85.8135.4172.8-64.7179.5-177.5173.50109.7M174 G175K162-M174 CarbonylContact O-C 3.42Å; K162-M174 WeakPolarHBondContact O-CA 3.39Å; K162-M174 WeakPolarHBondContact O-CB 3.43Å; K162-G175 PolarHBondContact N-O 2.98Å; K162-G175 PolarHBondContact O-N 3.49Å
163V97.7Very high96.6Very high64 Ų6466 Ų6639%0.38833%0.331SS..EExtended strand (participates in β ladder)trans-73.1124.8166.7178.10000108.7T152 V172 M174T152-V163 HydrophobicContact CG2-CG2 4.04Å; V163-V172 HydrophobicContact CG1-CG2 3.71Å; V163-V172 HydrophobicContact CG2-CG2 4.23Å; V163-M174 HydrophobicContact CG2-CG 4.17Å; V163-M174 HydrophobicContact CG2-SD 4.2Å
164I97.5Very high96.6Very high70 Ų7061.4 Ų61.436%0.35931%0.31SS..EExtended strand (participates in β ladder)trans-102.8-52.5-177.6-58.8170.1000109.1L173 K182I164-L173 HydrophobicContact CG2-CD2 4.41Å; I164-L173 PolarHBondContact N-O 2.92Å; I164-K182 HydrophobicContact CD1-CD 3.38Å; I164-K182 HydrophobicContact CD1-CG 4.22Å
165E96.9Very high96.5Very high103 Ų10361.4 Ų61.448%0.48131%0.311SS..EExtended strand (participates in β ladder)trans-136.3148.9179.5-73.3169.6-170.300109.9H167 V172 L173E165-H167 IonicContact OE2-NE2 3.97Å; E165-V172 WeakPolarHBondContact O-CA 3.45Å; E165-V172 WeakPolarHBondContact O-CG2 3.46Å; E165-L173 HydrophobicContact CB-CB 4.05Å; E165-L173 PolarHBondContact N-O 2.8Å; E165-L173 PolarHBondContact O-N 2.88Å
166R96.4Very high96.4Very high115 Ų11562.9 Ų62.943%0.43432%0.317SS..EExtended strand (participates in β ladder)trans-138.6131.2172.9175.8179-72.5-91.5-7.6108.5T152T152-R166 PolarHBondContact OG1-NH2 3.36Å
167H93.6Very high96.2Very high105 Ų10562.9 Ų62.949%0.48632%0.319SS..EExtended strand (participates in β ladder)trans-117.7102.2173.6-62.7-71.9000109.6E165 E169 K170 T171E165-H167 IonicContact OE2-NE2 3.97Å; H167-E169 PolarHBondContact O-N 3.39Å; H167-K170 PolarHBondContact O-N 3.31Å; H167-T171 PolarHBondContact N-O 3.06Å; H167-T171 PolarHBondContact O-N 3.28Å; H167-T171 VanDerWaalsContact O-N 3.15Å
168E89.6Confident95.9Very high170 Ų17066 Ų6679%0.79433%0.329SS*.THydrogen-bonded Turntrans50.8-136.4179.3-57.4178.1170.200111.2K170E168-K170 VanDerWaalsContact C-N 3.35Å
169E86.6Confident95.6Very high161 Ų16170 Ų7075%0.75236%0.355SS*.THydrogen-bonded Turntrans-97.712.9171.6-60.9-172.6166.300112.2L148 H167 N187L148-E169 VanDerWaalsContact CD2-C 3.5Å; L148-E169 WeakPolarHBondContact CD2-O 3.43Å; H167-E169 PolarHBondContact O-N 3.39Å; E169-N187 WeakPolarHBondContact O-CB 3.35Å; E169-N187 PolarHBondContact O-ND2 2.88Å
170K94.9Very high95.5Very high120 Ų12071.3 Ų71.352%0.52236%0.361SS..THydrogen-bonded Turntrans-97-48.5-171.9-166.9173.9-178.1174.90113H167 E168 H186 N187H167-K170 PolarHBondContact O-N 3.31Å; E168-K170 VanDerWaalsContact C-N 3.35Å; K170-H186 WeakPolarHBondContact CE-NE2 3.35Å; K170-H186 CarbonylContact O-C 3.45Å; K170-H186 WeakPolarHBondContact O-CA 3.46Å; K170-N187 PolarHBondContact O-N 3.27Å
171T98Very high95.5Very high17 Ų1769.8 Ų69.810%0.10434%0.343CS..EExtended strand (participates in β ladder)trans-138.9151.2-179.667.80000113.8H167 L185 H186H167-T171 PolarHBondContact N-O 3.06Å; H167-T171 PolarHBondContact O-N 3.28Å; H167-T171 VanDerWaalsContact O-N 3.15Å; T171-L185 WeakPolarHBondContact CA-O 3.46Å; T171-H186 HydrophobicContact CG2-CB 4.19Å
172V98.5Very high95.6Very high0 Ų070.9 Ų70.90%035%0.348CS..EExtended strand (participates in β ladder)trans-134.2132.3166.868.30000109.6L148 V163 E165 M174 E184 L185L148-V172 HydrophobicContact CD1-CB 4.39Å; L148-V172 HydrophobicContact CD1-CG1 3.8Å; L148-V172 HydrophobicContact CG-CG1 4.31Å; V163-V172 HydrophobicContact CG1-CG2 3.71Å; V163-V172 HydrophobicContact CG2-CG2 4.23Å; E165-V172 WeakPolarHBondContact O-CA 3.45Å; E165-V172 WeakPolarHBondContact O-CG2 3.46Å; V172-M174 HydrophobicContact CG1-CE 4.12Å; V172-M174 HydrophobicContact CG1-CG 4.47Å; V172-M174 HydrophobicContact CG1-SD 4.33Å; V172-M174 HydrophobicContact CG2-CG 3.99Å; V172-M174 HydrophobicContact CG2-SD 4.4Å; V172-E184 CarbonylContact O-C 3.53Å; V172-E184 WeakPolarHBondContact O-CA 3.3Å; V172-L185 HydrophobicContact CG1-CB 3.88Å; V172-L185 HydrophobicContact CG1-CD1 4.05Å; V172-L185 HydrophobicContact CG1-CG 4.19Å; V172-L185 PolarHBondContact N-O 2.83Å; V172-L185 PolarHBondContact O-N 3.1Å
173L98.7Very high95.6Very high25 Ų2564.1 Ų64.113%0.13132%0.319CS..EExtended strand (participates in β ladder)trans-103.5129.5174.8-171.970.9000109.1K140 I164 E165 K182 E184K140-L173 HydrophobicContact CB-CD1 4.43Å; K140-L173 HydrophobicContact CD-CD1 4.06Å; I164-L173 HydrophobicContact CG2-CD2 4.41Å; I164-L173 PolarHBondContact N-O 2.92Å; E165-L173 HydrophobicContact CB-CB 4.05Å; E165-L173 PolarHBondContact N-O 2.8Å; E165-L173 PolarHBondContact O-N 2.88Å; L173-K182 HydrophobicContact CD1-CB 3.65Å; L173-K182 HydrophobicContact CD1-CG 4.39Å; L173-K182 HydrophobicContact CG-CB 4.15Å; L173-K182 HydrophobicContact CG-CG 4.49Å; L173-E184 HydrophobicContact CD1-CB 3.91Å
174M98.3Very high95.7Very high0 Ų062.5 Ų62.50%031%0.307CS..EExtended strand (participates in β ladder)trans-136.7159.2-175.5-59.4-176.8-67.400112W155 M161 K162 V163 V172 K182 L183 L185W155-M174 HydrophobicContact CB-CE 3.42Å; W155-M174 VanDerWaalsContact CB-CE 3.42Å; W155-M174 HydrophobicContact CB-SD 4.02Å; W155-M174 HydrophobicContact CG-CE 3.93Å; M161-M174 HydrophobicContact CB-CB 4.07Å; M161-M174 HydrophobicContact SD-CB 4.08Å; K162-M174 CarbonylContact O-C 3.42Å; K162-M174 WeakPolarHBondContact O-CA 3.39Å; K162-M174 WeakPolarHBondContact O-CB 3.43Å; V163-M174 HydrophobicContact CG2-CG 4.17Å; V163-M174 HydrophobicContact CG2-SD 4.2Å; V172-M174 HydrophobicContact CG1-CE 4.12Å; V172-M174 HydrophobicContact CG1-CG 4.47Å; V172-M174 HydrophobicContact CG1-SD 4.33Å; V172-M174 HydrophobicContact CG2-CG 3.99Å; V172-M174 HydrophobicContact CG2-SD 4.4Å; M174-K182 WeakPolarHBondContact O-CA 3.35Å; M174-K182 WeakPolarHBondContact O-CB 3.29Å; M174-L183 HydrophobicContact CE-CD2 4.49Å; M174-L183 PolarHBondContact N-O 2.72Å; M174-L183 PolarHBondContact O-N 2.85Å; M174-L185 HydrophobicContact CE-CD1 3.4Å; M174-L185 HydrophobicContact CE-CG 3.78Å
175G97.8Very high95.7Very high3 Ų359.2 Ų59.23%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-171.4168.1171.600000113.3K162K162-G175 PolarHBondContact N-O 2.98Å; K162-G175 PolarHBondContact O-N 3.49Å
176F96.8Very high95.8Very high31 Ų3156.7 Ų56.714%0.13628%0.278CS..SBendtrans-81.7-33.9175.6-71-61.5000112.9S4 L159 M161 F203 F254S4-F176 WeakPolarHBondContact O-CB 3.32Å; L159-F176 VanDerWaalsContact O-CE1 3.23Å; L159-F176 WeakPolarHBondContact O-CE1 3.27Å; M161-F176 HydrophobicContact CE-CD2 4.11Å; M161-F176 HydrophobicContact CE-CE2 3.54Å; M161-F176 HydrophobicContact CE-CZ 4Å; M161-F176 HydrophobicContact CG-CD1 4.15Å; M161-F176 HydrophobicContact CG-CD2 4.38Å; M161-F176 HydrophobicContact CG-CE1 3.73Å; M161-F176 HydrophobicContact CG-CE2 3.98Å; M161-F176 HydrophobicContact CG-CG 4.46Å; M161-F176 HydrophobicContact CG-CZ 3.64Å; F176-F203 AromaticContact CD2-CD1 3.92Å; F176-F203 HydrophobicContact CD2-CD1 3.92Å; F176-F203 HydrophobicContact CD2-CE1 4.25Å; F176-F203 HydrophobicContact CE2-CB 4.43Å; F176-F203 AromaticContact CE2-CD1 3.47Å; F176-F203 HydrophobicContact CE2-CD1 3.47Å; F176-F203 VanDerWaalsContact CE2-CD1 3.47Å; F176-F203 AromaticContact CE2-CE1 3.86Å; F176-F203 HydrophobicContact CE2-CE1 3.86Å; F176-F203 AromaticContact CE2-CG 3.94Å; F176-F203 HydrophobicContact CE2-CG 3.94Å; F176-F254 HydrophobicContact CZ-CZ 4.28Å
177A93.6Very high95.9Very high33 Ų3353.2 Ų53.227%0.27327%0.268SS..SBendtrans-148.8155.9177.400000112.1T179 Q180 K182A177-T179 PolarHBondContact O-N 3.09Å; A177-Q180 HydrophobicContact CB-CG 4.14Å; A177-Q180 PolarHBondContact O-N 2.9Å; A177-K182 WeakPolarHBondContact O-CE 3.29Å; A177-K182 PolarHBondContact O-NZ 2.89Å
178D91.3Very high96.1Very high143 Ų14351 Ų5177%0.76526%0.259SS*.THydrogen-bonded Turntrans-62.1-28.1-177.5-61-16.7000112.7K182D178-K182 PolarHBondContact O-NZ 2.54Å
179T91.1Very high96.3Very high106 Ų10646.3 Ų46.365%0.6526%0.257SS*.THydrogen-bonded Turntrans-88.6-12.2-178.155.20000114.9A177A177-T179 PolarHBondContact O-N 3.09Å
180Q95.3Very high96.6Very high41 Ų4140.3 Ų40.319%0.19224%0.238CC..SBendtrans-90.3162-177.3-66.2-179.72300112.6S4 R5 A177 K182S4-Q180 PolarHBondContact O-NE2 3.43Å; S4-Q180 VanDerWaalsContact O-NE2 3.11Å; R5-Q180 VanDerWaalsContact CA-OE1 3.26Å; A177-Q180 HydrophobicContact CB-CG 4.14Å; A177-Q180 PolarHBondContact O-N 2.9Å; Q180-K182 PolarHBondContact O-N 3.34Å; Q180-K182 PolarHBondContact O-NZ 2.79Å
181C98.2Very high96.7Very high9 Ų940.4 Ų40.46%0.06125%0.249CC..PPolyproline II helixtrans-53.6137.2165.2178.40000110.8A6 F67 V138A6-C181 HydrophobicContact CB-CB 4.41Å; F67-C181 HydrophobicContact CB-CB 3.53Å; F67-C181 HydrophobicContact CD1-CB 4.31Å; F67-C181 HydrophobicContact CD2-CB 3.5Å; F67-C181 VanDerWaalsContact CD2-CB 3.5Å; F67-C181 HydrophobicContact CE2-CB 4.24Å; F67-C181 HydrophobicContact CG-CB 3.52Å; V138-C181 HydrophobicContact CG1-CB 4.44Å
182K98.7Very high96.7Very high28 Ų2840.4 Ų40.412%0.12225%0.248CC..EExtended strand (participates in β ladder)trans-96.7159.1-178-55.3-57.1-172.2-86.60111.8Q139 K140 V141 I164 L173 M174 A177 D178 Q180Q139-K182 PolarHBondContact O-N 2.95Å; K140-K182 CarbonylContact C-O 3.55Å; K140-K182 WeakPolarHBondContact CA-O 3.19Å; K140-K182 HydrophobicContact CB-CB 4.06Å; K140-K182 WeakPolarHBondContact CB-O 3.37Å; V141-K182 PolarHBondContact N-O 3.1Å; I164-K182 HydrophobicContact CD1-CD 3.38Å; I164-K182 HydrophobicContact CD1-CG 4.22Å; L173-K182 HydrophobicContact CD1-CB 3.65Å; L173-K182 HydrophobicContact CD1-CG 4.39Å; L173-K182 HydrophobicContact CG-CB 4.15Å; L173-K182 HydrophobicContact CG-CG 4.49Å; M174-K182 WeakPolarHBondContact O-CA 3.35Å; M174-K182 WeakPolarHBondContact O-CB 3.29Å; A177-K182 WeakPolarHBondContact O-CE 3.29Å; A177-K182 PolarHBondContact O-NZ 2.89Å; D178-K182 PolarHBondContact O-NZ 2.54Å; Q180-K182 PolarHBondContact O-N 3.34Å; Q180-K182 PolarHBondContact O-NZ 2.79Å
183L98.9Very high96.7Very high2 Ų243.5 Ų43.51%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-105.8120.5168177.561.4000108.8L143 W155 M161 M174 L185 I201L143-L183 HydrophobicContact CB-CD1 4.49Å; L143-L183 HydrophobicContact CD1-CD1 3.85Å; L143-L183 HydrophobicContact CG-CD1 3.94Å; W155-L183 HydrophobicContact CD2-CD2 3.53Å; W155-L183 HydrophobicContact CE3-CD2 3.57Å; W155-L183 HydrophobicContact CG-CD2 4.19Å; W155-L183 HydrophobicContact CH2-CD2 3.75Å; W155-L183 HydrophobicContact CZ2-CD2 3.72Å; W155-L183 HydrophobicContact CZ3-CD2 3.7Å; M161-L183 HydrophobicContact CE-CB 4.44Å; M161-L183 HydrophobicContact CE-CD2 4.27Å; M161-L183 HydrophobicContact SD-CB 4.24Å; M161-L183 HydrophobicContact SD-CD2 4.12Å; M174-L183 HydrophobicContact CE-CD2 4.49Å; M174-L183 PolarHBondContact N-O 2.72Å; M174-L183 PolarHBondContact O-N 2.85Å; L183-L185 HydrophobicContact CD1-CD2 4.1Å; L183-L185 HydrophobicContact CD2-CD2 3.96Å; L183-L185 HydrophobicContact CG-CD2 3.91Å; L183-L185 HydrophobicContact CG-CG 4.44Å; L183-I201 HydrophobicContact CD1-CD1 4.45Å
184E98.8Very high96.7Very high31 Ų3144.1 Ų44.115%0.14527%0.267CS..EExtended strand (participates in β ladder)trans-100.9125.7167.9-176.9173.9-112.500109K140 V141 C142 L143 V172 L173K140-E184 HydrophobicContact CD-CB 4.04Å; K140-E184 IonicContact NZ-OE1 2.69Å; K140-E184 PolarHBondContact NZ-OE1 3.11Å; K140-E184 IonicContact NZ-OE2 2.8Å; K140-E184 PolarHBondContact NZ-OE2 3.26Å; V141-E184 PolarHBondContact O-N 3.37Å; C142-E184 CarbonylContact C-O 3.55Å; C142-E184 VanDerWaalsContact CA-O 3.29Å; C142-E184 WeakPolarHBondContact CA-O 3.26Å; C142-E184 HydrophobicContact CB-CB 4.3Å; C142-E184 PolarHBondContact SG-OE2 2.81Å; L143-E184 PolarHBondContact N-O 2.94Å; V172-E184 CarbonylContact O-C 3.53Å; V172-E184 WeakPolarHBondContact O-CA 3.3Å; L173-E184 HydrophobicContact CD1-CB 3.91Å
185L98.8Very high96.7Very high0 Ų044.8 Ų44.80%028%0.275CS..EExtended strand (participates in β ladder)trans-100.9132.8168.9-53.3178.5000108.6L143 V145 L148 W155 T171 V172 M174 L183L143-L185 HydrophobicContact CB-CD2 4.29Å; L143-L185 WeakPolarHBondContact O-CA 3.39Å; V145-L185 HydrophobicContact CG1-CB 4.01Å; V145-L185 HydrophobicContact CG1-CD1 4.27Å; V145-L185 HydrophobicContact CG1-CD2 3.92Å; V145-L185 HydrophobicContact CG1-CG 4.3Å; V145-L185 HydrophobicContact CG2-CB 4.04Å; L148-L185 HydrophobicContact CD1-CB 3.95Å; W155-L185 HydrophobicContact CG-CD1 4.34Å; T171-L185 WeakPolarHBondContact CA-O 3.46Å; V172-L185 HydrophobicContact CG1-CB 3.88Å; V172-L185 HydrophobicContact CG1-CD1 4.05Å; V172-L185 HydrophobicContact CG1-CG 4.19Å; V172-L185 PolarHBondContact N-O 2.83Å; V172-L185 PolarHBondContact O-N 3.1Å; M174-L185 HydrophobicContact CE-CD1 3.4Å; M174-L185 HydrophobicContact CE-CG 3.78Å; L183-L185 HydrophobicContact CD1-CD2 4.1Å; L183-L185 HydrophobicContact CD2-CD2 3.96Å; L183-L185 HydrophobicContact CG-CD2 3.91Å; L183-L185 HydrophobicContact CG-CG 4.44Å
186H98.6Very high96.6Very high51 Ų5147.5 Ų47.524%0.23629%0.29CS..EExtended strand (participates in β ladder)trans-122.8116.8-179.4-170.8165.3000109.6L87 L143 A144 V145 K170 T171 I188L87-H186 HydrophobicContact CD1-CB 3.52Å; L143-H186 PolarHBondContact O-N 2.94Å; A144-H186 CarbonylContact C-O 3.59Å; A144-H186 WeakPolarHBondContact CA-O 3.3Å; V145-H186 PolarHBondContact N-O 2.88Å; K170-H186 WeakPolarHBondContact CE-NE2 3.35Å; K170-H186 CarbonylContact O-C 3.45Å; K170-H186 WeakPolarHBondContact O-CA 3.46Å; T171-H186 HydrophobicContact CG2-CB 4.19Å; H186-I188 PolarHBondContact O-N 2.82Å
187N98.1Very high96.6Very high42 Ų4246.1 Ų46.123%0.22529%0.285CS..EExtended strand (participates in β ladder)trans-66.8115.8173.4-172.6-6.8000110.7V145 L148 E169 K170 G189V145-N187 VanDerWaalsContact O-CA 3.32Å; V145-N187 WeakPolarHBondContact O-CA 3.35Å; L148-N187 HydrophobicContact CB-CB 4.28Å; E169-N187 WeakPolarHBondContact O-CB 3.35Å; E169-N187 PolarHBondContact O-ND2 2.88Å; K170-N187 PolarHBondContact O-N 3.27Å; N187-G189 PolarHBondContact OD1-N 2.92Å
188I97.7Very high96.8Very high58 Ų5846.7 Ų46.730%0.29728%0.281SS..  trans-93-1.1179.760.2161.9000113.4N84 L87 A144 V145 H186 G190 T191 V192N84-I188 WeakPolarHBondContact ND2-CD1 3.32Å; L87-I188 HydrophobicContact CD1-CG2 4.31Å; A144-I188 HydrophobicContact CB-CD1 4.01Å; A144-I188 HydrophobicContact CB-CG1 4.2Å; A144-I188 HydrophobicContact CB-CG2 3.58Å; V145-I188 PolarHBondContact O-N 3.12Å; V145-I188 VanDerWaalsContact O-N 3.08Å; H186-I188 PolarHBondContact O-N 2.82Å; I188-G190 PolarHBondContact O-N 2.9Å; I188-T191 WeakPolarHBondContact CD1-O 3.27Å; I188-V192 HydrophobicContact CD1-CG2 4.11Å
189G93.2Very high97Very high72 Ų7240.4 Ų40.474%0.74225%0.25SS*.SBendtrans67.619.9178.400000114.3N187N187-G189 PolarHBondContact OD1-N 2.92Å
190G94Very high97.3Very high34 Ų3436 Ų3635%0.35122%0.221SC..SBendtrans-166.8-170.6-176.100000112.8S146 I188S146-G190 WeakPolarHBondContact CB-O 3.23Å; I188-G190 PolarHBondContact O-N 2.9Å
191T96.8Very high97.5Very high123 Ų12334.2 Ų34.276%0.75521%0.213SC*.PPolyproline II helixtrans-69.9136.6-178.6-51.20000111.7N84 I188N84-T191 PolarHBondContact ND2-O 3.39Å; I188-T191 WeakPolarHBondContact CD1-O 3.27Å
192V98.6Very high97.5Very high16 Ų1633.8 Ų33.810%0.09721%0.211CC..PPolyproline II helixtrans-81.1118.8168.9-178.20000109D85 A144 I188 D248D85-V192 HydrophobicContact CB-CG1 3.57Å; A144-V192 HydrophobicContact CB-CG2 4.24Å; I188-V192 HydrophobicContact CD1-CG2 4.11Å; V192-D248 HydrophobicContact CB-CB 4.44Å; V192-D248 HydrophobicContact CG2-CB 4.06Å
193D98.5Very high97.5Very high65 Ų6532.7 Ų32.735%0.34821%0.206SC..PPolyproline II helixtrans-103116.6172.4176.116.9000108.7R81 G83 N84 D85 G195R81-D193 IonicContact CZ-OD1 3.5Å; R81-D193 IonicContact CZ-OD2 3.9Å; R81-D193 IonicContact NH1-OD1 3.57Å; R81-D193 IonicContact NH1-OD2 3.33Å; R81-D193 PolarHBondContact NH1-OD2 2.92Å; R81-D193 VanDerWaalsContact NH2-CG 3.34Å; R81-D193 IonicContact NH2-OD1 2.81Å; R81-D193 PolarHBondContact NH2-OD1 2.8Å; R81-D193 IonicContact NH2-OD2 3.49Å; R81-D193 PolarHBondContact NH2-OD2 2.75Å; R81-D193 VanDerWaalsContact NH2-OD2 3.07Å; G83-D193 CarbonylContact C-O 3.59Å; G83-D193 WeakPolarHBondContact CA-O 3.47Å; N84-D193 PolarHBondContact N-O 3.05Å; N84-D193 PolarHBondContact OD1-N 3.09Å; N84-D193 PolarHBondContact OD1-O 3.33Å; D85-D193 PolarHBondContact N-O 3.06Å; D193-G195 PolarHBondContact OD1-N 3.34Å
194H98.2Very high97.5Very high38 Ų3832.6 Ų32.618%0.17621%0.205CC..  trans-79.5-16.8-179.8-72.8-63.2000114.2D85 F198 D248 H250D85-H194 WeakPolarHBondContact CB-ND1 3.45Å; D85-H194 IonicContact OD2-CE1 3.34Å; D85-H194 IonicContact OD2-CG 3.56Å; D85-H194 IonicContact OD2-ND1 3.8Å; D85-H194 PolarHBondContact OD2-ND1 2.73Å; H194-F198 HydrophobicContact CB-CB 3.85Å; H194-F198 HydrophobicContact CB-CD1 4.26Å; H194-F198 HydrophobicContact CB-CG 4.3Å; H194-F198 WeakPolarHBondContact O-CB 3.41Å; H194-F198 PolarHBondContact O-N 3.47Å; H194-D248 PolarHBondContact CE1-O 3.41Å; H194-D248 PolarHBondContact NE2-O 2.96Å; H194-H250 AromaticContact CE1-ND1 3.81Å
195G97.6Very high97.4Very high15 Ų1531.3 Ų31.316%0.15520%0.2CC..THydrogen-bonded Turntrans57.3-148.7-170.500000112.6R81 D193R81-G195 CarbonylContact O-C 3.54Å; R81-G195 WeakPolarHBondContact O-CA 3.48Å; D193-G195 PolarHBondContact OD1-N 3.34Å
196T96.5Very high97.4Very high59 Ų5932.3 Ų32.336%0.36221%0.206SC..THydrogen-bonded Turntrans-110.1-10.516862.80000112.2K12 R81 F198K12-T196 VanDerWaalsContact CD-O 3.27Å; K12-T196 WeakPolarHBondContact CD-O 3.45Å; K12-T196 PolarHBondContact NZ-O 2.79Å; R81-T196 PolarHBondContact N-OG1 3.4Å; R81-T196 PolarHBondContact O-N 2.92Å; T196-F198 VanDerWaalsContact C-N 3.33Å
197A97.1Very high97.3Very high2 Ų236.4 Ų36.42%0.01722%0.22CC..THydrogen-bonded Turntrans-85.4-0.9179.300000114R81 L82 Y123 G199R81-A197 WeakPolarHBondContact O-CB 3.44Å; R81-A197 PolarHBondContact O-N 3.44Å; L82-A197 HydrophobicContact CB-CB 4.48Å; L82-A197 HydrophobicContact CD1-CB 3.99Å; Y123-A197 HydrophobicContact CE1-CB 4.29Å; Y123-A197 WeakPolarHBondContact OH-CB 3.39Å; Y123-A197 PolarHBondContact OH-O 2.8Å; A197-G199 PolarHBondContact O-N 2.98Å
198F96.1Very high97.3Very high46 Ų4641.6 Ų41.620%0.20224%0.243CC..  trans-46.7139.1177.365.1-89.9000111.8K12 D85 H194 T196 E251K12-F198 WeakPolarHBondContact CE-O 3.28Å; K12-F198 VanDerWaalsContact NZ-CE1 3.33Å; K12-F198 VanDerWaalsContact NZ-CZ 3.26Å; K12-F198 PolarHBondContact NZ-O 2.86Å; D85-F198 WeakPolarHBondContact OD2-CB 3.32Å; H194-F198 HydrophobicContact CB-CB 3.85Å; H194-F198 HydrophobicContact CB-CD1 4.26Å; H194-F198 HydrophobicContact CB-CG 4.3Å; H194-F198 WeakPolarHBondContact O-CB 3.41Å; H194-F198 PolarHBondContact O-N 3.47Å; T196-F198 VanDerWaalsContact C-N 3.33Å; F198-E251 HydrophobicContact CD2-CG 4.49Å; F198-E251 HydrophobicContact CE2-CG 4.47Å; F198-E251 WeakPolarHBondContact CE2-OE1 3.48Å
199G95.8Very high97.3Very high11 Ų1141.2 Ų41.211%0.11324%0.239CC..  trans-99.1-167.1178.400000112.7V10 A197V10-G199 WeakPolarHBondContact O-CA 3.47Å; A197-G199 PolarHBondContact O-N 2.98Å
200R98.2Very high97.5Very high12 Ų1237.8 Ų37.85%0.04520%0.204CC..EExtended strand (participates in β ladder)trans-143.4133.5174.4-174.8-179.9-60175.80.4107.9F9 V10 A43 T44 E251 C253F9-R200 WeakPolarHBondContact CA-O 3.32Å; V10-R200 HydrophobicContact CB-CB 4.17Å; V10-R200 HydrophobicContact CG2-CB 4.02Å; V10-R200 WeakPolarHBondContact CG2-O 3.38Å; V10-R200 PolarHBondContact N-O 3.37Å; A43-R200 PolarHBondContact O-NH1 3.38Å; A43-R200 PolarHBondContact O-NH2 2.69Å; T44-R200 PolarHBondContact O-NH2 2.84Å; T44-R200 PolarHBondContact OG1-NH2 3.06Å; R200-E251 WeakPolarHBondContact CA-O 3.49Å; R200-E251 HydrophobicContact CB-CB 4.01Å; R200-E251 HydrophobicContact CG-CB 3.73Å; R200-E251 WeakPolarHBondContact CG-O 3.24Å; R200-E251 IonicContact CZ-OE2 2.76Å; R200-E251 IonicContact NE-OE2 3.34Å; R200-E251 PolarHBondContact NE-OE2 2.9Å; R200-E251 IonicContact NH2-OE2 3.75Å; R200-E251 PolarHBondContact NH2-OE2 2.87Å; R200-C253 HydrophobicContact CG-CB 4.32Å
201I98.7Very high97.7Very high4 Ų438.7 Ų38.72%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-94.9137.6171.2-168.8164000109.5F9 F67 V141 W155 L183 F203 E251 I252 C253F9-I201 HydrophobicContact CD2-CB 3.94Å; F9-I201 HydrophobicContact CD2-CG1 4.41Å; F9-I201 HydrophobicContact CE2-CB 4.34Å; F67-I201 HydrophobicContact CE2-CD1 4.48Å; F67-I201 HydrophobicContact CE2-CG1 4.49Å; F67-I201 HydrophobicContact CZ-CD1 4.45Å; F67-I201 HydrophobicContact CZ-CG1 4.48Å; V141-I201 HydrophobicContact CB-CD1 4.42Å; W155-I201 HydrophobicContact CH2-CG2 3.88Å; L183-I201 HydrophobicContact CD1-CD1 4.45Å; I201-F203 HydrophobicContact CB-CE2 4.42Å; I201-F203 HydrophobicContact CD1-CE1 4.39Å; I201-F203 HydrophobicContact CD1-CE2 4.34Å; I201-F203 HydrophobicContact CD1-CZ 3.68Å; I201-F203 HydrophobicContact CG1-CE1 4.45Å; I201-F203 HydrophobicContact CG1-CE2 3.97Å; I201-F203 HydrophobicContact CG1-CZ 3.73Å; I201-F203 HydrophobicContact CG2-CE2 3.76Å; I201-F203 HydrophobicContact CG2-CZ 4.19Å; I201-E251 PolarHBondContact N-O 2.76Å; I201-E251 VanDerWaalsContact N-O 3.12Å; I201-I252 HydrophobicContact CG2-CG1 4.36Å; I201-I252 HydrophobicContact CG2-CG2 4.39Å; I201-I252 CarbonylContact O-C 3.55Å; I201-I252 WeakPolarHBondContact O-CA 3.06Å; I201-C253 PolarHBondContact O-N 2.94Å
202A98.7Very high97.8Very high1 Ų138.1 Ų38.11%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-116.5140.7-177.100000112.3L7 H8 C253L7-A202 HydrophobicContact CB-CB 4.21Å; L7-A202 WeakPolarHBondContact CB-O 3.06Å; L7-A202 HydrophobicContact CD1-CB 4.32Å; L7-A202 PolarHBondContact N-O 2.93Å; H8-A202 VanDerWaalsContact NE2-CB 3.27Å; H8-A202 WeakPolarHBondContact NE2-CB 3.14Å; H8-A202 PolarHBondContact O-N 3.47Å; A202-C253 CarbonylContact C-O 3.5Å; A202-C253 WeakPolarHBondContact CA-O 3.42Å; A202-C253 HydrophobicContact CB-CB 3.96Å
203F98.7Very high97.7Very high4 Ų438.3 Ų38.32%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-129.3148.7174.4-55.8-80000109.9R5 A6 W155 M161 F176 I201 I252 C253 F254 V255R5-F203 CarbonylContact O-C 3.54Å; R5-F203 WeakPolarHBondContact O-CA 3.26Å; A6-F203 HydrophobicContact CB-CD1 4.03Å; A6-F203 HydrophobicContact CB-CE1 3.87Å; W155-F203 AromaticContact CH2-CE2 3.92Å; W155-F203 HydrophobicContact CH2-CE2 3.92Å; W155-F203 HydrophobicContact CH2-CZ 4.38Å; W155-F203 AromaticContact CZ3-CE2 3.58Å; W155-F203 HydrophobicContact CZ3-CE2 3.58Å; W155-F203 AromaticContact CZ3-CZ 3.91Å; W155-F203 HydrophobicContact CZ3-CZ 3.91Å; M161-F203 HydrophobicContact CE-CD1 4.25Å; M161-F203 HydrophobicContact CE-CE1 3.39Å; M161-F203 HydrophobicContact CE-CE2 4.02Å; M161-F203 HydrophobicContact CE-CZ 3.25Å; F176-F203 AromaticContact CD2-CD1 3.92Å; F176-F203 HydrophobicContact CD2-CD1 3.92Å; F176-F203 HydrophobicContact CD2-CE1 4.25Å; F176-F203 HydrophobicContact CE2-CB 4.43Å; F176-F203 AromaticContact CE2-CD1 3.47Å; F176-F203 HydrophobicContact CE2-CD1 3.47Å; F176-F203 VanDerWaalsContact CE2-CD1 3.47Å; F176-F203 AromaticContact CE2-CE1 3.86Å; F176-F203 HydrophobicContact CE2-CE1 3.86Å; F176-F203 AromaticContact CE2-CG 3.94Å; F176-F203 HydrophobicContact CE2-CG 3.94Å; I201-F203 HydrophobicContact CB-CE2 4.42Å; I201-F203 HydrophobicContact CD1-CE1 4.39Å; I201-F203 HydrophobicContact CD1-CE2 4.34Å; I201-F203 HydrophobicContact CD1-CZ 3.68Å; I201-F203 HydrophobicContact CG1-CE1 4.45Å; I201-F203 HydrophobicContact CG1-CE2 3.97Å; I201-F203 HydrophobicContact CG1-CZ 3.73Å; I201-F203 HydrophobicContact CG2-CE2 3.76Å; I201-F203 HydrophobicContact CG2-CZ 4.19Å; F203-I252 HydrophobicContact CD2-CG2 3.71Å; F203-I252 HydrophobicContact CE2-CG2 3.81Å; F203-C253 PolarHBondContact N-O 3.26Å; F203-F254 HydrophobicContact CB-CD1 4Å; F203-F254 HydrophobicContact CB-CE1 3.73Å; F203-F254 HydrophobicContact CB-CE2 4.48Å; F203-F254 HydrophobicContact CB-CG 4.5Å; F203-F254 HydrophobicContact CB-CZ 4Å; F203-F254 HydrophobicContact CD2-CE2 4.07Å; F203-F254 HydrophobicContact CD2-CZ 4.07Å; F203-F254 HydrophobicContact CG-CE1 4.43Å; F203-F254 HydrophobicContact CG-CZ 4.24Å; F203-F254 CarbonylContact O-C 3.56Å; F203-F254 VanDerWaalsContact O-CA 3.31Å; F203-F254 WeakPolarHBondContact O-CA 3.49Å; F203-V255 PolarHBondContact O-N 2.77Å
204S98.4Very high97.7Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-98.1156163.266.80000111.5S4 R5 V255 D257S4-S204 WeakPolarHBondContact CA-O 3.43Å; R5-S204 PolarHBondContact N-O 2.73Å; R5-S204 VanDerWaalsContact N-O 3.08Å; R5-S204 PolarHBondContact O-N 3Å; S204-V255 CarbonylContact C-O 3.6Å; S204-V255 WeakPolarHBondContact CA-O 3.41Å; S204-D257 VanDerWaalsContact CB-OD1 3.25Å; S204-D257 WeakPolarHBondContact CB-OD1 3.2Å; S204-D257 PolarHBondContact OG-OD1 2.9Å
205C98.1Very high97.8Very high4 Ų438.6 Ų38.63%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-143.8165.3162.862.50000108.5R207 F254 V255 G256 D257C205-R207 PolarHBondContact O-N 2.94Å; C205-F254 HydrophobicContact CB-CD1 4.3Å; C205-V255 PolarHBondContact N-O 3.04Å; C205-G256 CarbonylContact O-C 3.6Å; C205-G256 WeakPolarHBondContact O-CA 3.37Å; C205-D257 PolarHBondContact O-N 3.09Å
206P97.9Very high97.8Very high22 Ų2240.5 Ų40.514%0.14322%0.217CC..  trans-51.2131.6170.2-28.337000110.8E208 Q209P206-E208 HydrophobicContact CB-CG 4.23Å; P206-E208 PolarHBondContact O-N 2.76Å; P206-Q209 HydrophobicContact CB-CG 4.35Å; P206-Q209 WeakPolarHBondContact O-CB 3.41Å; P206-Q209 PolarHBondContact O-N 3.29Å
207R97.6Very high97.9Very high137 Ų13737.7 Ų37.752%0.51720%0.2SC..G310 helixtrans-49.1-40.4-175.2174.4-131.6160.487.97.6112.8C205 Q209 L210 E240 E258C205-R207 PolarHBondContact O-N 2.94Å; R207-Q209 PolarHBondContact O-N 2.96Å; R207-Q209 VanDerWaalsContact O-N 3.09Å; R207-L210 PolarHBondContact O-N 2.86Å; R207-E240 VanDerWaalsContact CG-OE2 3.26Å; R207-E240 WeakPolarHBondContact CG-OE2 3.34Å; R207-E240 IonicContact CZ-OE1 2.77Å; R207-E240 VanDerWaalsContact CZ-OE1 3.26Å; R207-E240 IonicContact CZ-OE2 3.82Å; R207-E240 IonicContact NE-OE2 2.68Å; R207-E240 PolarHBondContact NE-OE2 3.28Å; R207-E240 VanDerWaalsContact NE-OE2 3.14Å; R207-E240 IonicContact NH1-OE1 2.79Å; R207-E240 PolarHBondContact NH1-OE1 3.45Å; R207-E240 IonicContact NH1-OE2 3.38Å; R207-E240 PolarHBondContact NH1-OE2 2.97Å; R207-E240 IonicContact NH2-OE1 3.81Å; R207-E240 PolarHBondContact NH2-OE1 2.86Å; R207-E240 IonicContact NH2-OE2 3.14Å; R207-E240 PolarHBondContact NH2-OE2 3.03Å; R207-E258 VanDerWaalsContact CB-OE2 3.25Å; R207-E258 WeakPolarHBondContact CB-OE2 3.23Å; R207-E258 PolarHBondContact N-OE1 3.02Å; R207-E258 PolarHBondContact N-OE2 3.48Å
208E97Very high98Very high151 Ų15141.8 Ų41.871%0.70623%0.225SC*.G310 helixtrans-58.7-21.1179.964.7-176.5-168.600114.2P206P206-E208 HydrophobicContact CB-CG 4.23Å; P206-E208 PolarHBondContact O-N 2.76Å
209Q97.3Very high98.1Very high49 Ų4947.1 Ų47.123%0.22925%0.248CC..G310 helixtrans-89.3-8.7-177.8-65171.418.700113.9A2 P206 R207 A211 D212 L213A2-Q209 VanDerWaalsContact CB-CD 3.4Å; P206-Q209 HydrophobicContact CB-CG 4.35Å; P206-Q209 WeakPolarHBondContact O-CB 3.41Å; P206-Q209 PolarHBondContact O-N 3.29Å; R207-Q209 PolarHBondContact O-N 2.96Å; R207-Q209 VanDerWaalsContact O-N 3.09Å; Q209-A211 VanDerWaalsContact C-N 3.33Å; Q209-A211 PolarHBondContact O-N 3.23Å; Q209-D212 PolarHBondContact O-N 3.14Å; Q209-L213 WeakPolarHBondContact O-CB 3.44Å; Q209-L213 PolarHBondContact O-N 2.94Å
210L98.3Very high98.2Very high0 Ų049.8 Ų49.80%026%0.257CS..Hα-helixtrans-63.7-40.3-179.4-67.9172.5000111.8R207 L213 E214 L228 E240 V242 F254R207-L210 PolarHBondContact O-N 2.86Å; L210-L213 PolarHBondContact O-N 3.3Å; L210-E214 PolarHBondContact O-N 3.34Å; L210-L228 HydrophobicContact CB-CD1 3.85Å; L210-L228 HydrophobicContact CD1-CD1 3.86Å; L210-L228 HydrophobicContact CG-CD1 4.48Å; L210-E240 HydrophobicContact CD1-CB 3.82Å; L210-E240 WeakPolarHBondContact CD1-O 3.41Å; L210-V242 HydrophobicContact CB-CG2 4.27Å; L210-V242 HydrophobicContact CD2-CG2 4.44Å; L210-F254 HydrophobicContact CD2-CB 3.96Å
211A98Very high98.2Very high53 Ų5356.3 Ų56.344%0.43829%0.293SS..Hα-helixtrans-66.5-39.3176.900000111.9Q209 L213 E214 A215Q209-A211 VanDerWaalsContact C-N 3.33Å; Q209-A211 PolarHBondContact O-N 3.23Å; A211-L213 VanDerWaalsContact C-N 3.34Å; A211-E214 PolarHBondContact O-N 2.99Å; A211-A215 WeakPolarHBondContact O-CB 3.48Å; A211-A215 PolarHBondContact O-N 2.83Å
212D97.9Very high98.2Very high112 Ų11259 Ų5960%0.59931%0.305SS*.Hα-helixtrans-65.7-38.5175.8-69.1-21000111.6Q209 A215 L216Q209-D212 PolarHBondContact O-N 3.14Å; D212-A215 PolarHBondContact O-N 3.08Å; D212-L216 WeakPolarHBondContact O-CB 3.36Å; D212-L216 PolarHBondContact O-N 2.74Å
213L98.2Very high98.2Very high20 Ų2065 Ų6511%0.10533%0.331CS..Hα-helixtrans-62.8-46.3174.9177.663000111.5L159 Q209 L210 A211 L216 M217 L244 F254L159-L213 HydrophobicContact CD2-CD1 3.78Å; Q209-L213 WeakPolarHBondContact O-CB 3.44Å; Q209-L213 PolarHBondContact O-N 2.94Å; L210-L213 PolarHBondContact O-N 3.3Å; A211-L213 VanDerWaalsContact C-N 3.34Å; L213-L216 PolarHBondContact O-N 3.18Å; L213-M217 HydrophobicContact CD1-CE 3.74Å; L213-M217 HydrophobicContact CD1-CG 4.31Å; L213-M217 VanDerWaalsContact O-CG 3.31Å; L213-M217 WeakPolarHBondContact O-CG 3.43Å; L213-M217 PolarHBondContact O-N 2.95Å; L213-L244 HydrophobicContact CD1-CD1 4.32Å; L213-L244 HydrophobicContact CD2-CD1 4.31Å; L213-L244 HydrophobicContact CG-CD1 4.39Å; L213-F254 HydrophobicContact CD2-CB 3.59Å; L213-F254 HydrophobicContact CD2-CD1 3.93Å; L213-F254 HydrophobicContact CD2-CD2 3.59Å; L213-F254 HydrophobicContact CD2-CE2 4.22Å; L213-F254 HydrophobicContact CD2-CG 3.41Å; L213-F254 VanDerWaalsContact CD2-CG 3.41Å
214E98.4Very high98.2Very high51 Ų5166.5 Ų66.524%0.23834%0.339CS..Hα-helixtrans-61.3-44.2176-173.1179.314100111.7L210 A211 L216 M217 T218 I224 L228L210-E214 PolarHBondContact O-N 3.34Å; A211-E214 PolarHBondContact O-N 2.99Å; E214-L216 PolarHBondContact O-N 2.78Å; E214-M217 PolarHBondContact O-N 2.9Å; E214-T218 WeakPolarHBondContact O-CB 3.48Å; E214-T218 PolarHBondContact O-N 3.45Å; E214-T218 PolarHBondContact O-OG1 3.27Å; E214-I224 HydrophobicContact CG-CD1 3.87Å; E214-L228 VanDerWaalsContact OE2-CB 3.27Å; E214-L228 WeakPolarHBondContact OE2-CB 3.39Å; E214-L228 PolarHBondContact OE2-N 2.91Å
215A98.6Very high98.2Very high58 Ų5869.8 Ų69.848%0.47936%0.356SS..Hα-helixtrans-62.5-41.4177.100000112A211 D212 T218 K219A211-A215 WeakPolarHBondContact O-CB 3.48Å; A211-A215 PolarHBondContact O-N 2.83Å; D212-A215 PolarHBondContact O-N 3.08Å; A215-T218 PolarHBondContact O-N 3.38Å; A215-K219 WeakPolarHBondContact O-CB 3.47Å; A215-K219 PolarHBondContact O-N 3.32Å
216L98.5Very high98.1Very high55 Ų5570.5 Ų70.529%0.28836%0.36SS..Hα-helixtrans-61.1-50.5174.6176.564.7000111.2L158 D212 L213 E214 T218 K219 E220L158-L216 WeakPolarHBondContact O-CD2 3.49Å; D212-L216 WeakPolarHBondContact O-CB 3.36Å; D212-L216 PolarHBondContact O-N 2.74Å; L213-L216 PolarHBondContact O-N 3.18Å; E214-L216 PolarHBondContact O-N 2.78Å; L216-T218 VanDerWaalsContact C-N 3.28Å; L216-T218 PolarHBondContact O-N 3.48Å; L216-K219 PolarHBondContact O-N 2.89Å; L216-K219 VanDerWaalsContact O-N 3.17Å; L216-E220 HydrophobicContact CD1-CG 3.78Å; L216-E220 HydrophobicContact CG-CG 4.4Å; L216-E220 WeakPolarHBondContact O-CG 3.5Å; L216-E220 PolarHBondContact O-N 2.97Å
217M98.6Very high98.1Very high0 Ų072.9 Ų72.90%038%0.376CS..Hα-helixtrans-62.9-36.9-179.1-67.7-63.2150.700111.9Y154 L158 L159 L213 E214 N221 Q222 I224 L244Y154-M217 HydrophobicContact CE2-SD 4.11Å; L158-M217 HydrophobicContact CB-CE 3.86Å; L159-M217 HydrophobicContact CD2-CE 3.36Å; L159-M217 HydrophobicContact CG-CE 4.12Å; L213-M217 HydrophobicContact CD1-CE 3.74Å; L213-M217 HydrophobicContact CD1-CG 4.31Å; L213-M217 VanDerWaalsContact O-CG 3.31Å; L213-M217 WeakPolarHBondContact O-CG 3.43Å; L213-M217 PolarHBondContact O-N 2.95Å; E214-M217 PolarHBondContact O-N 2.9Å; M217-N221 PolarHBondContact O-N 2.91Å; M217-Q222 HydrophobicContact CB-CB 4.19Å; M217-Q222 PolarHBondContact O-N 2.93Å; M217-Q222 HydrophobicContact SD-CB 3.62Å; M217-Q222 HydrophobicContact SD-CG 3.84Å; M217-I224 HydrophobicContact CB-CD1 3.99Å; M217-I224 HydrophobicContact CB-CG1 3.85Å; M217-L244 HydrophobicContact CB-CD2 4.27Å; M217-L244 HydrophobicContact CE-CD1 4.12Å; M217-L244 HydrophobicContact CG-CD1 3.88Å; M217-L244 HydrophobicContact CG-CD2 3.81Å; M217-L244 HydrophobicContact SD-CD1 4.13Å
218T98.4Very high98.1Very high88 Ų8869.6 Ų69.654%0.5437%0.368SS..Hα-helixtrans-63.3-48.3173.1-59.30000111.4E214 A215 L216 E220 N221 I224E214-T218 WeakPolarHBondContact O-CB 3.48Å; E214-T218 PolarHBondContact O-N 3.45Å; E214-T218 PolarHBondContact O-OG1 3.27Å; A215-T218 PolarHBondContact O-N 3.38Å; L216-T218 VanDerWaalsContact C-N 3.28Å; L216-T218 PolarHBondContact O-N 3.48Å; T218-E220 VanDerWaalsContact C-N 3.35Å; T218-E220 PolarHBondContact O-N 3.16Å; T218-N221 PolarHBondContact O-N 2.89Å; T218-I224 WeakPolarHBondContact OG1-CD1 3.44Å
219K98.6Very high98.1Very high158 Ų15865 Ų6569%0.68735%0.348SS*.Hα-helixtrans-61.6-41.7180179.6-168166.1-121.70112.3A215 L216 N221A215-K219 WeakPolarHBondContact O-CB 3.47Å; A215-K219 PolarHBondContact O-N 3.32Å; L216-K219 PolarHBondContact O-N 2.89Å; L216-K219 VanDerWaalsContact O-N 3.17Å; K219-N221 PolarHBondContact O-N 2.79Å
220E98.3Very high98.1Very high67 Ų6765.3 Ų65.331%0.31336%0.356SS..THydrogen-bonded Turntrans-86.111.3-178.6-57-61.5147.600112.5L158 L216 T218 Q222L158-E220 HydrophobicContact CD1-CB 4.31Å; L158-E220 HydrophobicContact CD2-CB 4.49Å; L158-E220 HydrophobicContact CD2-CG 4Å; L216-E220 HydrophobicContact CD1-CG 3.78Å; L216-E220 HydrophobicContact CG-CG 4.4Å; L216-E220 WeakPolarHBondContact O-CG 3.5Å; L216-E220 PolarHBondContact O-N 2.97Å; T218-E220 VanDerWaalsContact C-N 3.35Å; T218-E220 PolarHBondContact O-N 3.16Å; E220-Q222 HydrophobicContact CB-CG 4.09Å; E220-Q222 PolarHBondContact O-N 2.82Å; E220-Q222 PolarHBondContact O-NE2 2.68Å
221N98.1Very high97.9Very high149 Ų14966.2 Ų66.280%0.79736%0.36SS*.THydrogen-bonded Turntrans51.739.9178.6-167.755.4000113.3M217 T218 K219M217-N221 PolarHBondContact O-N 2.91Å; T218-N221 PolarHBondContact O-N 2.89Å; K219-N221 PolarHBondContact O-N 2.79Å
222Q98.6Very high97.5Very high59 Ų5968.4 Ų68.428%0.27637%0.365SS..PPolyproline II helixtrans-91.5159.7176.7-60.1-54.4-49.700111.3Y154 L158 M217 E220 I224Y154-Q222 HydrophobicContact CD2-CG 4.23Å; Y154-Q222 HydrophobicContact CE2-CB 4.15Å; Y154-Q222 HydrophobicContact CE2-CG 3.99Å; L158-Q222 HydrophobicContact CD1-CG 3.72Å; M217-Q222 HydrophobicContact CB-CB 4.19Å; M217-Q222 PolarHBondContact O-N 2.93Å; M217-Q222 HydrophobicContact SD-CB 3.62Å; M217-Q222 HydrophobicContact SD-CG 3.84Å; E220-Q222 HydrophobicContact CB-CG 4.09Å; E220-Q222 PolarHBondContact O-N 2.82Å; E220-Q222 PolarHBondContact O-NE2 2.68Å; Q222-I224 PolarHBondContact O-N 2.78Å
223K98.6Very high97Very high129 Ų12963.9 Ų63.956%0.56134%0.341SS*.EExtended strand (participates in β ladder)trans-80116.7-176.2-175.364.6176.4-1800111.4L225 A245K223-L225 HydrophobicContact CG-CD2 4.03Å; K223-A245 HydrophobicContact CB-CB 4.02Å; K223-A245 HydrophobicContact CG-CB 3.84Å; K223-A245 PolarHBondContact O-N 3.14Å
224I98.6Very high96.5Very high35 Ų3567.5 Ų67.518%0.17937%0.366CS..EExtended strand (participates in β ladder)trans-97.5120.8164.7-59.6157.3000107.5E214 M217 T218 Q222 P227 V242 L244E214-I224 HydrophobicContact CG-CD1 3.87Å; M217-I224 HydrophobicContact CB-CD1 3.99Å; M217-I224 HydrophobicContact CB-CG1 3.85Å; T218-I224 WeakPolarHBondContact OG1-CD1 3.44Å; Q222-I224 PolarHBondContact O-N 2.78Å; I224-P227 HydrophobicContact CG2-CG 4.4Å; I224-V242 HydrophobicContact CG2-CG1 4.46Å; I224-L244 HydrophobicContact CB-CD2 4.39Å; I224-L244 HydrophobicContact CG1-CD2 3.81Å; I224-L244 HydrophobicContact CG2-CD2 4.49Å
225L97.9Very high96Very high68 Ų6869.5 Ų69.536%0.35640%0.4SS..EExtended strand (participates in β ladder)trans-85.3-38.7176.5-65179.2000111.3K223 I243 A245 E251K223-L225 HydrophobicContact CG-CD2 4.03Å; L225-I243 HydrophobicContact CB-CB 4.26Å; L225-I243 HydrophobicContact CB-CG2 4Å; L225-I243 HydrophobicContact CD1-CG2 4.06Å; L225-I243 PolarHBondContact N-O 2.94Å; L225-A245 HydrophobicContact CD1-CB 3.93Å; L225-A245 HydrophobicContact CD2-CB 4.1Å; L225-A245 HydrophobicContact CG-CB 3.91Å; L225-E251 HydrophobicContact CD1-CB 4.34Å; L225-E251 HydrophobicContact CD1-CG 3.7Å
226T97.6Very high95.7Very high19 Ų1969.8 Ų69.812%0.11739%0.391CS..EExtended strand (participates in β ladder)trans-140.4114.8177.3-49.70000107.8A43 I229 I243A43-T226 HydrophobicContact CB-CG2 4.4Å; T226-I229 HydrophobicContact CG2-CG2 3.76Å; T226-I243 PolarHBondContact N-O 2.95Å; T226-I243 PolarHBondContact O-N 3.33Å
227P97.8Very high95.5Very high73 Ų7368.3 Ų68.347%0.47439%0.386SS..EExtended strand (participates in β ladder)trans-58.3170.8170.8-22.233.8000111.6I224 I229I224-P227 HydrophobicContact CG2-CG 4.4Å; P227-I229 PolarHBondContact O-N 3.06Å; P227-I229 VanDerWaalsContact O-N 3.09Å
228L97.8Very high95.4Very high67 Ų6771.4 Ų71.435%0.35141%0.405SS..EExtended strand (participates in β ladder)trans-49.2117.9178.6-178.259.3000111.4L210 E214 E240 V241 V242L210-L228 HydrophobicContact CB-CD1 3.85Å; L210-L228 HydrophobicContact CD1-CD1 3.86Å; L210-L228 HydrophobicContact CG-CD1 4.48Å; E214-L228 VanDerWaalsContact OE2-CB 3.27Å; E214-L228 WeakPolarHBondContact OE2-CB 3.39Å; E214-L228 PolarHBondContact OE2-N 2.91Å; L228-E240 HydrophobicContact CD1-CB 3.98Å; L228-V241 WeakPolarHBondContact CA-O 3.47Å; L228-V242 HydrophobicContact CB-CG2 4.07Å; L228-V242 HydrophobicContact CD1-CG2 4.05Å
229I97.3Very high95.3Very high55 Ų5567.6 Ų67.628%0.28238%0.382SS..EExtended strand (participates in β ladder)trans-141.9145.7-177.6-168.4168.3000111K42 T226 P227 L231 E240 V241K42-I229 HydrophobicContact CB-CD1 4.39Å; T226-I229 HydrophobicContact CG2-CG2 3.76Å; P227-I229 PolarHBondContact O-N 3.06Å; P227-I229 VanDerWaalsContact O-N 3.09Å; I229-L231 HydrophobicContact CG2-CD2 4.27Å; I229-L231 HydrophobicContact CG2-CG 4.49Å; I229-E240 WeakPolarHBondContact O-CA 3.29Å; I229-V241 HydrophobicContact CG2-CG2 3.76Å; I229-V241 PolarHBondContact N-O 3.48Å; I229-V241 PolarHBondContact O-N 2.79Å
230S96.8Very high95.3Very high56 Ų5661.6 Ų61.639%0.39236%0.356SS..EExtended strand (participates in β ladder)trans-85.3135.2170.2-47.70000111.5V239S230-V239 CarbonylContact C-O 3.57Å; S230-V239 VanDerWaalsContact CA-O 3.3Å; S230-V239 WeakPolarHBondContact CA-O 3.24Å
231L92.7Very high95.3Very high18 Ų1858.6 Ų58.69%0.09434%0.342CS..EExtended strand (participates in β ladder)trans-120.9125.2177.8-60.5-179.1000110.3K42 A43 I229 T238 V239 V241K42-L231 HydrophobicContact CB-CD2 4.16Å; A43-L231 HydrophobicContact CB-CD1 3.73Å; A43-L231 HydrophobicContact CB-CD2 3.79Å; A43-L231 HydrophobicContact CB-CG 4.32Å; I229-L231 HydrophobicContact CG2-CD2 4.27Å; I229-L231 HydrophobicContact CG2-CG 4.49Å; L231-T238 WeakPolarHBondContact O-CA 3.13Å; L231-V239 HydrophobicContact CB-CG2 4.13Å; L231-V239 PolarHBondContact N-O 3.5Å; L231-V239 PolarHBondContact O-N 3.49Å; L231-V241 HydrophobicContact CD1-CB 4.48Å; L231-V241 HydrophobicContact CD1-CG1 4.05Å; L231-V241 HydrophobicContact CD1-CG2 3.54Å; L231-V241 HydrophobicContact CG-CG2 4Å
232D90.9Very high95.3Very high100 Ų10051.5 Ų51.554%0.53530%0.304SS..  trans-91.7143.1176.3-56.8-50.5000110.3T238D232-T238 WeakPolarHBondContact OD1-CB 3.15Å; D232-T238 VanDerWaalsContact OD1-CG2 3.23Å; D232-T238 WeakPolarHBondContact OD1-CG2 3.42Å; D232-T238 PolarHBondContact OD1-OG1 2.81Å
233T87.8Confident95.3Very high17 Ų1748.7 Ų48.710%0.10429%0.291CS..  trans-121.6127.9166.1-62.70000107.6E35 F37 G235 K236 L263E35-T233 HydrophobicContact CG-CG2 4Å; F37-T233 HydrophobicContact CE1-CG2 4.33Å; F37-T233 HydrophobicContact CZ-CG2 4.14Å; T233-G235 PolarHBondContact O-N 3.45Å; T233-G235 VanDerWaalsContact O-N 3.14Å; T233-K236 HydrophobicContact CG2-CB 4.1Å; T233-K236 HydrophobicContact CG2-CD 3.93Å; T233-K236 HydrophobicContact CG2-CG 4.15Å; T233-K236 PolarHBondContact O-N 2.86Å; T233-L263 HydrophobicContact CG2-CD1 3.97Å
234P86.4Confident95.3Very high95 Ų9542.6 Ų42.662%0.61727%0.265SS*.THydrogen-bonded Turntrans-51.1121.8-175.7-29.335.6000112.8K236P234-K236 VanDerWaalsContact C-N 3.26Å; P234-K236 PolarHBondContact O-N 3.49Å
235G88.1Confident95.3Very high93 Ų9341.1 Ų41.196%0.95926%0.258SS*.THydrogen-bonded Turntrans71.810.617900000115.7T233T233-G235 PolarHBondContact O-N 3.45Å; T233-G235 VanDerWaalsContact O-N 3.14Å
236K92.9Very high95.3Very high65 Ų6538.2 Ų38.228%0.28324%0.243SC..SBendtrans-127.5173.9179.9-58.1-167.7178.6-170.60111.9E35 T233 P234 L263E35-K236 IonicContact OE1-NZ 2.96Å; E35-K236 PolarHBondContact OE1-NZ 3Å; T233-K236 HydrophobicContact CG2-CB 4.1Å; T233-K236 HydrophobicContact CG2-CD 3.93Å; T233-K236 HydrophobicContact CG2-CG 4.15Å; T233-K236 PolarHBondContact O-N 2.86Å; P234-K236 VanDerWaalsContact C-N 3.26Å; P234-K236 PolarHBondContact O-N 3.49Å; K236-L263 HydrophobicContact CB-CD1 3.61Å; K236-L263 HydrophobicContact CD-CD1 3.74Å; K236-L263 HydrophobicContact CG-CD1 4.32Å
237A93.8Very high95.4Very high23 Ų2340.1 Ų40.119%0.1926%0.255CS..  trans-62.1135.3178.800000111.8Q262A237-Q262 HydrophobicContact CB-CB 3.75Å
238T95.9Very high95.4Very high66 Ų6637.3 Ų37.341%0.40524%0.237SC..  trans-68.8132.1166.9-57.10000109.2L231 D232 A259L231-T238 WeakPolarHBondContact O-CA 3.13Å; D232-T238 WeakPolarHBondContact OD1-CB 3.15Å; D232-T238 VanDerWaalsContact OD1-CG2 3.23Å; D232-T238 WeakPolarHBondContact OD1-CG2 3.42Å; D232-T238 PolarHBondContact OD1-OG1 2.81Å; T238-A259 WeakPolarHBondContact O-CB 3.37Å
239V97Very high95.5Very high8 Ų836.6 Ų36.65%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-112.9159.7176.6-63.40000110.6S230 L231 V241 V255 A259 L263S230-V239 CarbonylContact C-O 3.57Å; S230-V239 VanDerWaalsContact CA-O 3.3Å; S230-V239 WeakPolarHBondContact CA-O 3.24Å; L231-V239 HydrophobicContact CB-CG2 4.13Å; L231-V239 PolarHBondContact N-O 3.5Å; L231-V239 PolarHBondContact O-N 3.49Å; V239-V241 HydrophobicContact CG2-CG1 4.36Å; V239-V255 HydrophobicContact CB-CG2 3.76Å; V239-V255 HydrophobicContact CG1-CG2 4.26Å; V239-V255 HydrophobicContact CG2-CG2 4.09Å; V239-A259 HydrophobicContact CG1-CB 3.94Å; V239-L263 HydrophobicContact CG1-CB 3.99Å; V239-L263 HydrophobicContact CG1-CD2 3.61Å; V239-L263 HydrophobicContact CG1-CG 4.41Å; V239-L263 HydrophobicContact CG2-CD2 4.1Å
240E98.3Very high95.5Very high31 Ų3134.4 Ų34.415%0.14523%0.229CC..EExtended strand (participates in β ladder)trans-113.9138.1171.8-71173.6153.400109.8R207 L210 L228 I229 V255 G256R207-E240 VanDerWaalsContact CG-OE2 3.26Å; R207-E240 WeakPolarHBondContact CG-OE2 3.34Å; R207-E240 IonicContact CZ-OE1 2.77Å; R207-E240 VanDerWaalsContact CZ-OE1 3.26Å; R207-E240 IonicContact CZ-OE2 3.82Å; R207-E240 IonicContact NE-OE2 2.68Å; R207-E240 PolarHBondContact NE-OE2 3.28Å; R207-E240 VanDerWaalsContact NE-OE2 3.14Å; R207-E240 IonicContact NH1-OE1 2.79Å; R207-E240 PolarHBondContact NH1-OE1 3.45Å; R207-E240 IonicContact NH1-OE2 3.38Å; R207-E240 PolarHBondContact NH1-OE2 2.97Å; R207-E240 IonicContact NH2-OE1 3.81Å; R207-E240 PolarHBondContact NH2-OE1 2.86Å; R207-E240 IonicContact NH2-OE2 3.14Å; R207-E240 PolarHBondContact NH2-OE2 3.03Å; L210-E240 HydrophobicContact CD1-CB 3.82Å; L210-E240 WeakPolarHBondContact CD1-O 3.41Å; L228-E240 HydrophobicContact CD1-CB 3.98Å; I229-E240 WeakPolarHBondContact O-CA 3.29Å; E240-V255 WeakPolarHBondContact O-CA 3.39Å; E240-V255 WeakPolarHBondContact O-CG2 3.48Å; E240-G256 PolarHBondContact O-N 3.43Å
241V98.1Very high95.6Very high4 Ų433.4 Ų33.42%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-134.6154.3-177.3-55.70000112.5A43 L228 I229 L231 V239 I243 F254 V255A43-V241 HydrophobicContact CB-CG2 4.4Å; L228-V241 WeakPolarHBondContact CA-O 3.47Å; I229-V241 HydrophobicContact CG2-CG2 3.76Å; I229-V241 PolarHBondContact N-O 3.48Å; I229-V241 PolarHBondContact O-N 2.79Å; L231-V241 HydrophobicContact CD1-CB 4.48Å; L231-V241 HydrophobicContact CD1-CG1 4.05Å; L231-V241 HydrophobicContact CD1-CG2 3.54Å; L231-V241 HydrophobicContact CG-CG2 4Å; V239-V241 HydrophobicContact CG2-CG1 4.36Å; V241-I243 HydrophobicContact CB-CD1 4.33Å; V241-I243 HydrophobicContact CG2-CD1 4.11Å; V241-I243 HydrophobicContact CG2-CG1 4.46Å; V241-F254 CarbonylContact C-O 3.56Å; V241-F254 WeakPolarHBondContact CA-O 3.46Å; V241-V255 HydrophobicContact CG1-CB 3.9Å; V241-V255 HydrophobicContact CG1-CG2 3.8Å
242V98.4Very high95.9Very high0 Ų032.5 Ų32.50%021%0.213CC..EExtended strand (participates in β ladder)trans-121.8132.3161.1178.20000107.4L210 I224 L228 L244 F254L210-V242 HydrophobicContact CB-CG2 4.27Å; L210-V242 HydrophobicContact CD2-CG2 4.44Å; I224-V242 HydrophobicContact CG2-CG1 4.46Å; L228-V242 HydrophobicContact CB-CG2 4.07Å; L228-V242 HydrophobicContact CD1-CG2 4.05Å; V242-L244 HydrophobicContact CG1-CD2 3.69Å; V242-L244 HydrophobicContact CG1-CG 4.29Å; V242-F254 PolarHBondContact N-O 2.96Å; V242-F254 PolarHBondContact O-N 2.96Å
243I98.4Very high96.3Very high1 Ų128.6 Ų28.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-108.6123.8176.7-47.3-58.2000109.5A43 L225 T226 V241 I252 C253A43-I243 HydrophobicContact CB-CG1 4.46Å; L225-I243 HydrophobicContact CB-CB 4.26Å; L225-I243 HydrophobicContact CB-CG2 4Å; L225-I243 HydrophobicContact CD1-CG2 4.06Å; L225-I243 PolarHBondContact N-O 2.94Å; T226-I243 PolarHBondContact N-O 2.95Å; T226-I243 PolarHBondContact O-N 3.33Å; V241-I243 HydrophobicContact CB-CD1 4.33Å; V241-I243 HydrophobicContact CG2-CD1 4.11Å; V241-I243 HydrophobicContact CG2-CG1 4.46Å; I243-I252 CarbonylContact C-O 3.59Å; I243-I252 VanDerWaalsContact CA-O 3.29Å; I243-I252 WeakPolarHBondContact CA-O 3.22Å; I243-C253 HydrophobicContact CD1-CB 3.7Å; I243-C253 VanDerWaalsContact CD1-SG 3.6Å
244L98.7Very high96.8Very high0 Ų028 Ų280%019%0.19CC..EExtended strand (participates in β ladder)trans-112.2163-179.5-51.6177.8000110.7L159 L213 M217 I224 V242 E251 I252 F254L159-L244 HydrophobicContact CD2-CD1 4.06Å; L213-L244 HydrophobicContact CD1-CD1 4.32Å; L213-L244 HydrophobicContact CD2-CD1 4.31Å; L213-L244 HydrophobicContact CG-CD1 4.39Å; M217-L244 HydrophobicContact CB-CD2 4.27Å; M217-L244 HydrophobicContact CE-CD1 4.12Å; M217-L244 HydrophobicContact CG-CD1 3.88Å; M217-L244 HydrophobicContact CG-CD2 3.81Å; M217-L244 HydrophobicContact SD-CD1 4.13Å; I224-L244 HydrophobicContact CB-CD2 4.39Å; I224-L244 HydrophobicContact CG1-CD2 3.81Å; I224-L244 HydrophobicContact CG2-CD2 4.49Å; V242-L244 HydrophobicContact CG1-CD2 3.69Å; V242-L244 HydrophobicContact CG1-CG 4.29Å; L244-E251 WeakPolarHBondContact O-CA 3.36Å; L244-I252 HydrophobicContact CB-CB 4.3Å; L244-I252 PolarHBondContact N-O 3.38Å; L244-I252 PolarHBondContact O-N 2.98Å; L244-F254 HydrophobicContact CD1-CD2 4.39Å
245A98.7Very high97.4Very high5 Ų523.8 Ų23.84%0.04116%0.162CC..EExtended strand (participates in β ladder)trans-120.8133.6161.700000109.1Y154 K223 L225 H250Y154-A245 PolarHBondContact OH-O 2.66Å; K223-A245 HydrophobicContact CB-CB 4.02Å; K223-A245 HydrophobicContact CG-CB 3.84Å; K223-A245 PolarHBondContact O-N 3.14Å; L225-A245 HydrophobicContact CD1-CB 3.93Å; L225-A245 HydrophobicContact CD2-CB 4.1Å; L225-A245 HydrophobicContact CG-CB 3.91Å; A245-H250 WeakPolarHBondContact CA-O 3.27Å
246D98.7Very high97.8Very high7 Ų719.4 Ų19.44%0.03712%0.117CC..  trans-74179174.996-25.6000111.5Y154 W155 D248 A249 H250 I252Y154-D246 HydrophobicContact CD1-CB 3.88Å; Y154-D246 HydrophobicContact CE1-CB 3.6Å; W155-D246 HydrophobicContact CZ2-CB 4.27Å; W155-D246 PolarHBondContact NE1-OD2 2.99Å; D246-D248 PolarHBondContact O-N 3.5Å; D246-D248 VanDerWaalsContact O-N 3.11Å; D246-D248 WeakPolarHBondContact OD1-CA 3.34Å; D246-D248 PolarHBondContact OD1-N 3.22Å; D246-A249 WeakPolarHBondContact O-CA 3.38Å; D246-A249 PolarHBondContact O-N 3.26Å; D246-A249 PolarHBondContact OD1-N 3.23Å; D246-A249 VanDerWaalsContact OD1-N 3.1Å; D246-H250 PolarHBondContact N-O 2.97Å; D246-H250 WeakPolarHBondContact OD1-CB 3.46Å; D246-H250 IonicContact OD1-CD2 2.93Å; D246-H250 PolarHBondContact OD1-CD2 3.07Å; D246-H250 IonicContact OD1-CG 2.72Å; D246-H250 PolarHBondContact OD1-N 3.02Å; D246-H250 IonicContact OD2-CD2 2.95Å; D246-I252 HydrophobicContact CB-CD1 4.04Å
247P98.6Very high98.1Very high58 Ų5817.1 Ų17.138%0.37711%0.107SC..THydrogen-bonded Turntrans-58.8-23.9-178.2-27.237000114.7Y154Y154-P247 HydrophobicContact CD2-CG 4.04Å; Y154-P247 HydrophobicContact CG-CG 3.95Å
248D98.6Very high98.3Very high15 Ų1520.6 Ų20.68%0.0812%0.12CC..THydrogen-bonded Turntrans-101.613.6176.8-73.9-68.7000112V145 S146 S151 V192 H194 D246 H250V145-D248 VanDerWaalsContact CA-OD2 3.24Å; V145-D248 WeakPolarHBondContact CA-OD2 3.21Å; V145-D248 WeakPolarHBondContact CB-OD2 3.38Å; V145-D248 WeakPolarHBondContact CG1-OD2 3.29Å; S146-D248 WeakPolarHBondContact CB-OD1 3.26Å; S146-D248 VanDerWaalsContact N-CG 3.32Å; S146-D248 PolarHBondContact N-OD1 3.46Å; S146-D248 PolarHBondContact N-OD2 3.4Å; S146-D248 VanDerWaalsContact N-OD2 3.09Å; S146-D248 PolarHBondContact OG-OD1 3.07Å; S151-D248 PolarHBondContact OG-OD2 2.92Å; S151-D248 VanDerWaalsContact OG-OD2 3.11Å; V192-D248 HydrophobicContact CB-CB 4.44Å; V192-D248 HydrophobicContact CG2-CB 4.06Å; H194-D248 PolarHBondContact CE1-O 3.41Å; H194-D248 PolarHBondContact NE2-O 2.96Å; D246-D248 PolarHBondContact O-N 3.5Å; D246-D248 VanDerWaalsContact O-N 3.11Å; D246-D248 WeakPolarHBondContact OD1-CA 3.34Å; D246-D248 PolarHBondContact OD1-N 3.22Å; D248-H250 VanDerWaalsContact C-N 3.32Å; D248-H250 PolarHBondContact O-N 2.85Å
249A98.4Very high98.3Very high52 Ų5218.8 Ų18.843%0.4311%0.112SC..  trans6620.2178.700000116.4D246 E251D246-A249 WeakPolarHBondContact O-CA 3.38Å; D246-A249 PolarHBondContact O-N 3.26Å; D246-A249 PolarHBondContact OD1-N 3.23Å; D246-A249 VanDerWaalsContact OD1-N 3.1Å; A249-E251 PolarHBondContact O-N 2.69Å
250H98.7Very high98.4Very high9 Ų918.9 Ų18.94%0.04211%0.111CC..  trans-64.1130.1167.3-66.5-76.8000110.6D85 L143 A144 H194 A245 D246 D248D85-H250 PolarHBondContact O-CE1 2.89Å; L143-H250 HydrophobicContact CD1-CB 4.25Å; A144-H250 PolarHBondContact O-NE2 2.94Å; H194-H250 AromaticContact CE1-ND1 3.81Å; A245-H250 WeakPolarHBondContact CA-O 3.27Å; D246-H250 PolarHBondContact N-O 2.97Å; D246-H250 WeakPolarHBondContact OD1-CB 3.46Å; D246-H250 IonicContact OD1-CD2 2.93Å; D246-H250 PolarHBondContact OD1-CD2 3.07Å; D246-H250 IonicContact OD1-CG 2.72Å; D246-H250 PolarHBondContact OD1-N 3.02Å; D246-H250 IonicContact OD2-CD2 2.95Å; D248-H250 VanDerWaalsContact C-N 3.32Å; D248-H250 PolarHBondContact O-N 2.85Å
251E98.7Very high98.4Very high34 Ų3421.4 Ų21.416%0.15912%0.12CC..EExtended strand (participates in β ladder)trans-77136.9179.2-59.3-164.1168.800111.9F198 R200 I201 L225 L244 A249F198-E251 HydrophobicContact CD2-CG 4.49Å; F198-E251 HydrophobicContact CE2-CG 4.47Å; F198-E251 WeakPolarHBondContact CE2-OE1 3.48Å; R200-E251 WeakPolarHBondContact CA-O 3.49Å; R200-E251 HydrophobicContact CB-CB 4.01Å; R200-E251 HydrophobicContact CG-CB 3.73Å; R200-E251 WeakPolarHBondContact CG-O 3.24Å; R200-E251 IonicContact CZ-OE2 2.76Å; R200-E251 IonicContact NE-OE2 3.34Å; R200-E251 PolarHBondContact NE-OE2 2.9Å; R200-E251 IonicContact NH2-OE2 3.75Å; R200-E251 PolarHBondContact NH2-OE2 2.87Å; I201-E251 PolarHBondContact N-O 2.76Å; I201-E251 VanDerWaalsContact N-O 3.12Å; L225-E251 HydrophobicContact CD1-CB 4.34Å; L225-E251 HydrophobicContact CD1-CG 3.7Å; L244-E251 WeakPolarHBondContact O-CA 3.36Å; A249-E251 PolarHBondContact O-N 2.69Å
252I98.8Very high98.4Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-129.4128.5-179.2-46.3168.8000109.4Y154 W155 L159 I201 F203 I243 L244 D246 F254Y154-I252 HydrophobicContact CE1-CD1 3.64Å; W155-I252 HydrophobicContact CH2-CD1 3.26Å; W155-I252 HydrophobicContact CH2-CG1 3.57Å; W155-I252 HydrophobicContact CH2-CG2 4.2Å; W155-I252 HydrophobicContact CZ2-CD1 3.39Å; W155-I252 HydrophobicContact CZ2-CG1 3.87Å; W155-I252 HydrophobicContact CZ3-CD1 3.92Å; W155-I252 HydrophobicContact CZ3-CG1 4.49Å; W155-I252 HydrophobicContact CZ3-CG2 4.5Å; L159-I252 HydrophobicContact CD1-CD1 3.9Å; I201-I252 HydrophobicContact CG2-CG1 4.36Å; I201-I252 HydrophobicContact CG2-CG2 4.39Å; I201-I252 CarbonylContact O-C 3.55Å; I201-I252 WeakPolarHBondContact O-CA 3.06Å; F203-I252 HydrophobicContact CD2-CG2 3.71Å; F203-I252 HydrophobicContact CE2-CG2 3.81Å; I243-I252 CarbonylContact C-O 3.59Å; I243-I252 VanDerWaalsContact CA-O 3.29Å; I243-I252 WeakPolarHBondContact CA-O 3.22Å; L244-I252 HydrophobicContact CB-CB 4.3Å; L244-I252 PolarHBondContact N-O 3.38Å; L244-I252 PolarHBondContact O-N 2.98Å; D246-I252 HydrophobicContact CB-CD1 4.04Å; I252-F254 HydrophobicContact CG2-CD2 3.97Å; I252-F254 HydrophobicContact CG2-CE2 3.79Å
253C98.6Very high98.3Very high17 Ų1728.3 Ų28.312%0.11515%0.152CC..EExtended strand (participates in β ladder)trans-101.9124.8170.3-177.40000109.9R200 I201 A202 F203 I243R200-C253 HydrophobicContact CG-CB 4.32Å; I201-C253 PolarHBondContact O-N 2.94Å; A202-C253 CarbonylContact C-O 3.5Å; A202-C253 WeakPolarHBondContact CA-O 3.42Å; A202-C253 HydrophobicContact CB-CB 3.96Å; F203-C253 PolarHBondContact N-O 3.26Å; I243-C253 HydrophobicContact CD1-CB 3.7Å; I243-C253 VanDerWaalsContact CD1-SG 3.6Å
254F98.6Very high98.2Very high6 Ų628.4 Ų28.43%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-104.4127.6159.9-85.6-95000109.4L159 F176 F203 C205 L210 L213 V241 V242 L244 I252L159-F254 HydrophobicContact CD1-CE2 4.19Å; L159-F254 HydrophobicContact CD2-CE2 3.77Å; L159-F254 HydrophobicContact CD2-CZ 4.04Å; F176-F254 HydrophobicContact CZ-CZ 4.28Å; F203-F254 HydrophobicContact CB-CD1 4Å; F203-F254 HydrophobicContact CB-CE1 3.73Å; F203-F254 HydrophobicContact CB-CE2 4.48Å; F203-F254 HydrophobicContact CB-CG 4.5Å; F203-F254 HydrophobicContact CB-CZ 4Å; F203-F254 HydrophobicContact CD2-CE2 4.07Å; F203-F254 HydrophobicContact CD2-CZ 4.07Å; F203-F254 HydrophobicContact CG-CE1 4.43Å; F203-F254 HydrophobicContact CG-CZ 4.24Å; F203-F254 CarbonylContact O-C 3.56Å; F203-F254 VanDerWaalsContact O-CA 3.31Å; F203-F254 WeakPolarHBondContact O-CA 3.49Å; C205-F254 HydrophobicContact CB-CD1 4.3Å; L210-F254 HydrophobicContact CD2-CB 3.96Å; L213-F254 HydrophobicContact CD2-CB 3.59Å; L213-F254 HydrophobicContact CD2-CD1 3.93Å; L213-F254 HydrophobicContact CD2-CD2 3.59Å; L213-F254 HydrophobicContact CD2-CE2 4.22Å; L213-F254 HydrophobicContact CD2-CG 3.41Å; L213-F254 VanDerWaalsContact CD2-CG 3.41Å; V241-F254 CarbonylContact C-O 3.56Å; V241-F254 WeakPolarHBondContact CA-O 3.46Å; V242-F254 PolarHBondContact N-O 2.96Å; V242-F254 PolarHBondContact O-N 2.96Å; L244-F254 HydrophobicContact CD1-CD2 4.39Å; I252-F254 HydrophobicContact CG2-CD2 3.97Å; I252-F254 HydrophobicContact CG2-CE2 3.79Å
255V98.5Very high98.2Very high5 Ų533.5 Ų33.53%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-121.9146.9179.764.80000111.3L7 F203 S204 C205 V239 E240 V241 D257 F260L7-V255 HydrophobicContact CD1-CG1 3.42Å; L7-V255 VanDerWaalsContact CD1-CG1 3.42Å; F203-V255 PolarHBondContact O-N 2.77Å; S204-V255 CarbonylContact C-O 3.6Å; S204-V255 WeakPolarHBondContact CA-O 3.41Å; C205-V255 PolarHBondContact N-O 3.04Å; V239-V255 HydrophobicContact CB-CG2 3.76Å; V239-V255 HydrophobicContact CG1-CG2 4.26Å; V239-V255 HydrophobicContact CG2-CG2 4.09Å; E240-V255 WeakPolarHBondContact O-CA 3.39Å; E240-V255 WeakPolarHBondContact O-CG2 3.48Å; V241-V255 HydrophobicContact CG1-CB 3.9Å; V241-V255 HydrophobicContact CG1-CG2 3.8Å; V255-D257 PolarHBondContact O-N 3.41Å; V255-F260 HydrophobicContact CG1-CB 4Å; V255-F260 HydrophobicContact CG1-CD2 3.84Å; V255-F260 HydrophobicContact CG1-CG 3.89Å; V255-F260 HydrophobicContact CG2-CB 4.06Å; V255-F260 HydrophobicContact CG2-CD2 4.18Å; V255-F260 HydrophobicContact CG2-CG 4.48Å
256G98.3Very high98.1Very high1 Ų137 Ų371%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-64.1117.8172.500000111.8C205 E240 E258 F260C205-G256 CarbonylContact O-C 3.6Å; C205-G256 WeakPolarHBondContact O-CA 3.37Å; E240-G256 PolarHBondContact O-N 3.43Å; G256-E258 VanDerWaalsContact C-N 3.33Å; G256-E258 PolarHBondContact O-N 3.04Å; G256-F260 WeakPolarHBondContact O-CB 3.45Å; G256-F260 PolarHBondContact O-N 2.95Å
257D98.2Very high97.9Very high17 Ų1738.8 Ų38.89%0.09120%0.203CC..Hα-helixtrans-60.3-40.3-171.4-167.763.9000112R5 S204 C205 V255 A259 F260 R261R5-D257 IonicContact CZ-OD1 2.77Å; R5-D257 IonicContact NE-OD1 2.77Å; R5-D257 IonicContact NH2-OD1 3.81Å; R5-D257 PolarHBondContact NH2-OD1 3.21Å; S204-D257 VanDerWaalsContact CB-OD1 3.25Å; S204-D257 WeakPolarHBondContact CB-OD1 3.2Å; S204-D257 PolarHBondContact OG-OD1 2.9Å; C205-D257 PolarHBondContact O-N 3.09Å; V255-D257 PolarHBondContact O-N 3.41Å; D257-A259 PolarHBondContact O-N 2.88Å; D257-F260 PolarHBondContact O-N 3.26Å; D257-R261 VanDerWaalsContact O-CG 3.31Å; D257-R261 WeakPolarHBondContact O-CG 3.47Å; D257-R261 PolarHBondContact O-N 2.93Å; D257-R261 IonicContact OD1-NE 3.55Å; D257-R261 IonicContact OD1-NH2 3.77Å; D257-R261 IonicContact OD2-CZ 3.66Å; D257-R261 IonicContact OD2-NE 3.68Å; D257-R261 PolarHBondContact OD2-NE 3.03Å; D257-R261 IonicContact OD2-NH2 3.17Å; D257-R261 PolarHBondContact OD2-NH2 2.86Å
258E97.5Very high97.7Very high97 Ų9742 Ų4245%0.45322%0.223SC..Hα-helixtrans-61.1-46.7-173-5886.4165.600112.1R207 G256R207-E258 VanDerWaalsContact CB-OE2 3.25Å; R207-E258 WeakPolarHBondContact CB-OE2 3.23Å; R207-E258 PolarHBondContact N-OE1 3.02Å; R207-E258 PolarHBondContact N-OE2 3.48Å; G256-E258 VanDerWaalsContact C-N 3.33Å; G256-E258 PolarHBondContact O-N 3.04Å
259A97.4Very high97.6Very high28 Ų2844.3 Ų44.323%0.23124%0.241CC..Hα-helixtrans-77-34.8176.600000111.4T238 V239 D257 R261 Q262 L263T238-A259 WeakPolarHBondContact O-CB 3.37Å; V239-A259 HydrophobicContact CG1-CB 3.94Å; D257-A259 PolarHBondContact O-N 2.88Å; A259-R261 VanDerWaalsContact C-N 3.31Å; A259-R261 PolarHBondContact O-N 3.13Å; A259-Q262 PolarHBondContact O-N 2.95Å; A259-Q262 VanDerWaalsContact O-N 3.12Å; A259-L263 PolarHBondContact O-N 2.85Å
260F98.1Very high97.4Very high9 Ų941.9 Ų41.94%0.03922%0.221CC..Hα-helixtrans-61-39.9177.3-176.1-98.9000112L7 V255 G256 D257 Q262 L263 S264L7-F260 HydrophobicContact CB-CE1 4.46Å; L7-F260 HydrophobicContact CB-CZ 4.42Å; L7-F260 HydrophobicContact CD1-CD1 3.96Å; L7-F260 HydrophobicContact CD1-CD2 4.32Å; L7-F260 HydrophobicContact CD1-CE1 3.76Å; L7-F260 HydrophobicContact CD1-CE2 4.12Å; L7-F260 HydrophobicContact CD1-CG 4.25Å; L7-F260 HydrophobicContact CD1-CZ 3.84Å; L7-F260 HydrophobicContact CD2-CD1 4.07Å; L7-F260 HydrophobicContact CD2-CE1 3.74Å; L7-F260 HydrophobicContact CD2-CZ 4.48Å; L7-F260 HydrophobicContact CG-CE1 4.19Å; L7-F260 HydrophobicContact CG-CZ 4.49Å; V255-F260 HydrophobicContact CG1-CB 4Å; V255-F260 HydrophobicContact CG1-CD2 3.84Å; V255-F260 HydrophobicContact CG1-CG 3.89Å; V255-F260 HydrophobicContact CG2-CB 4.06Å; V255-F260 HydrophobicContact CG2-CD2 4.18Å; V255-F260 HydrophobicContact CG2-CG 4.48Å; G256-F260 WeakPolarHBondContact O-CB 3.45Å; G256-F260 PolarHBondContact O-N 2.95Å; D257-F260 PolarHBondContact O-N 3.26Å; F260-Q262 VanDerWaalsContact C-N 3.26Å; F260-Q262 PolarHBondContact O-N 3.34Å; F260-L263 HydrophobicContact CD2-CD2 4.32Å; F260-L263 PolarHBondContact O-N 2.84Å; F260-S264 VanDerWaalsContact O-CB 3.23Å; F260-S264 WeakPolarHBondContact O-CB 3.29Å; F260-S264 PolarHBondContact O-N 2.91Å; F260-S264 PolarHBondContact O-OG 3.19Å
261R97.9Very high97.1Very high85 Ų8544.2 Ų44.232%0.32123%0.233SC..Hα-helixtrans-58.7-38.3174.6-70.3-172.9-178-78.6-1.3112.5D64 D257 A259 Q265D64-R261 WeakPolarHBondContact OD1-CG 3.33Å; D64-R261 IonicContact OD1-CZ 3.85Å; D64-R261 IonicContact OD1-NH1 3.18Å; D64-R261 PolarHBondContact OD1-NH1 3.32Å; D257-R261 VanDerWaalsContact O-CG 3.31Å; D257-R261 WeakPolarHBondContact O-CG 3.47Å; D257-R261 PolarHBondContact O-N 2.93Å; D257-R261 IonicContact OD1-NE 3.55Å; D257-R261 IonicContact OD1-NH2 3.77Å; D257-R261 IonicContact OD2-CZ 3.66Å; D257-R261 IonicContact OD2-NE 3.68Å; D257-R261 PolarHBondContact OD2-NE 3.03Å; D257-R261 IonicContact OD2-NH2 3.17Å; D257-R261 PolarHBondContact OD2-NH2 2.86Å; A259-R261 VanDerWaalsContact C-N 3.31Å; A259-R261 PolarHBondContact O-N 3.13Å; R261-Q265 PolarHBondContact O-NE2 3.08Å
262Q97.6Very high97Very high137 Ų13745.6 Ų45.664%0.6425%0.251SS*.Hα-helixtrans-71.3-40.1176.3-60.8177.126.800111.8A237 A259 F260 Q265A237-Q262 HydrophobicContact CB-CB 3.75Å; A259-Q262 PolarHBondContact O-N 2.95Å; A259-Q262 VanDerWaalsContact O-N 3.12Å; F260-Q262 VanDerWaalsContact C-N 3.26Å; F260-Q262 PolarHBondContact O-N 3.34Å; Q262-Q265 WeakPolarHBondContact O-CG 3.16Å
263L97.1Very high96.9Very high11 Ų1148.8 Ų48.86%0.05827%0.267CS..Hα-helixtrans-64.6-41.4177.7173.165.3000112.5T233 K236 V239 A259 F260 Q265T233-L263 HydrophobicContact CG2-CD1 3.97Å; K236-L263 HydrophobicContact CB-CD1 3.61Å; K236-L263 HydrophobicContact CD-CD1 3.74Å; K236-L263 HydrophobicContact CG-CD1 4.32Å; V239-L263 HydrophobicContact CG1-CB 3.99Å; V239-L263 HydrophobicContact CG1-CD2 3.61Å; V239-L263 HydrophobicContact CG1-CG 4.41Å; V239-L263 HydrophobicContact CG2-CD2 4.1Å; A259-L263 PolarHBondContact O-N 2.85Å; F260-L263 HydrophobicContact CD2-CD2 4.32Å; F260-L263 PolarHBondContact O-N 2.84Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.24Å
264S97.6Very high96.8Very high3 Ų348.3 Ų48.32%0.02126%0.264CS..THydrogen-bonded Turntrans-90.213.6-168.361.60000114.5E63 F260 M266E63-S264 WeakPolarHBondContact OE2-CB 3.34Å; F260-S264 VanDerWaalsContact O-CB 3.23Å; F260-S264 WeakPolarHBondContact O-CB 3.29Å; F260-S264 PolarHBondContact O-N 2.91Å; F260-S264 PolarHBondContact O-OG 3.19Å; S264-M266 PolarHBondContact O-N 2.78Å
265Q97.8Very high96.7Very high108 Ų10851.2 Ų51.251%0.50528%0.28SS..  trans-57.1129.6174.3-67.7-60.9-56.700110.4R261 Q262 L263 D267R261-Q265 PolarHBondContact O-NE2 3.08Å; Q262-Q265 WeakPolarHBondContact O-CG 3.16Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.24Å; Q265-D267 PolarHBondContact O-N 2.87Å
266M96Very high96.7Very high79 Ų7956.9 Ų56.939%0.38930%0.304SS..  trans-62.1129.7178-176179177.500109.6L32 S264 P268L32-M266 HydrophobicContact CD2-CE 4.36Å; L32-M266 HydrophobicContact CD2-SD 4.32Å; L32-M266 CarbonylContact O-C 3.56Å; L32-M266 WeakPolarHBondContact O-CA 3.31Å; S264-M266 PolarHBondContact O-N 2.78Å; M266-P268 WeakPolarHBondContact O-CD 3.35Å
267D95.8Very high96.5Very high44 Ų4457.2 Ų57.224%0.23531%0.306CS..  trans-93.8114174.6-173.4-13.3000109.7L32 R33 Q265 S269 G270 L273L32-D267 PolarHBondContact O-N 2.77Å; R33-D267 HydrophobicContact CB-CB 4.32Å; Q265-D267 PolarHBondContact O-N 2.87Å; D267-S269 PolarHBondContact O-N 3.33Å; D267-S269 WeakPolarHBondContact OD1-CA 3.26Å; D267-S269 VanDerWaalsContact OD1-CB 3.3Å; D267-S269 WeakPolarHBondContact OD1-CB 3.43Å; D267-S269 PolarHBondContact OD1-N 3Å; D267-G270 PolarHBondContact O-N 2.78Å; D267-L273 WeakPolarHBondContact OD2-CD1 3.39Å
268P94.3Very high96.4Very high124 Ų12457.2 Ų57.281%0.80531%0.306SS*.THydrogen-bonded Turntrans-56.7-23.1175.2-24.134.7000113.7M266M266-P268 WeakPolarHBondContact O-CD 3.35Å
269S95.4Very high96.3Very high65 Ų6556.6 Ų56.646%0.45532%0.318SS..THydrogen-bonded Turntrans-90.51.5178.1-50.30000113.3D267 N271 A272 L273D267-S269 PolarHBondContact O-N 3.33Å; D267-S269 WeakPolarHBondContact OD1-CA 3.26Å; D267-S269 VanDerWaalsContact OD1-CB 3.3Å; D267-S269 WeakPolarHBondContact OD1-CB 3.43Å; D267-S269 PolarHBondContact OD1-N 3Å; S269-N271 VanDerWaalsContact C-N 3.29Å; S269-N271 PolarHBondContact O-N 3.37Å; S269-N271 VanDerWaalsContact O-N 3.16Å; S269-A272 WeakPolarHBondContact O-CB 3.48Å; S269-A272 PolarHBondContact O-N 2.81Å; S269-L273 WeakPolarHBondContact O-CG 3.42Å; S269-L273 PolarHBondContact O-N 3.08Å
270G94.4Very high96.1Very high1 Ų161.2 Ų61.21%0.0133%0.334CS..Hα-helixtrans-52.5-41.7-172.900000114.3I31 D267 L273 L274I31-G270 WeakPolarHBondContact CG2-O 3.43Å; D267-G270 PolarHBondContact O-N 2.78Å; G270-L273 PolarHBondContact O-N 3.46Å; G270-L274 PolarHBondContact O-N 3.45Å
271N93.5Very high95.8Very high57 Ų5761.2 Ų61.231%0.30534%0.335SS..Hα-helixtrans-61.9-48.9174.4-82-72.3000112I31 S269 L273 L274 D275I31-N271 WeakPolarHBondContact CG1-OD1 3.43Å; S269-N271 VanDerWaalsContact C-N 3.29Å; S269-N271 PolarHBondContact O-N 3.37Å; S269-N271 VanDerWaalsContact O-N 3.16Å; N271-L273 VanDerWaalsContact C-N 3.29Å; N271-L273 PolarHBondContact O-N 2.99Å; N271-L274 PolarHBondContact O-N 3.35Å; N271-D275 WeakPolarHBondContact O-CB 3.27Å; N271-D275 VanDerWaalsContact O-CG 3.27Å; N271-D275 PolarHBondContact O-N 2.77Å
272A96.3Very high95.4Very high64 Ų6464.7 Ų64.753%0.52935%0.352SS..Hα-helixtrans-64.2-35.5-179.100000112S269 K276S269-A272 WeakPolarHBondContact O-CB 3.48Å; S269-A272 PolarHBondContact O-N 2.81Å; A272-K276 WeakPolarHBondContact O-CB 3.49Å; A272-K276 PolarHBondContact O-N 3.11Å
273L96.6Very high94.8Very high66 Ų6658.6 Ų58.635%0.34633%0.325SS..Hα-helixtrans-64.6-49.2175.4-69.4175.3000111.6H34 D267 S269 G270 N271 K276 A277H34-L273 HydrophobicContact CB-CB 4.15Å; D267-L273 WeakPolarHBondContact OD2-CD1 3.39Å; S269-L273 WeakPolarHBondContact O-CG 3.42Å; S269-L273 PolarHBondContact O-N 3.08Å; G270-L273 PolarHBondContact O-N 3.46Å; N271-L273 VanDerWaalsContact C-N 3.29Å; N271-L273 PolarHBondContact O-N 2.99Å; L273-K276 PolarHBondContact O-N 3.39Å; L273-A277 WeakPolarHBondContact O-CB 3.39Å; L273-A277 PolarHBondContact O-N 3.25Å
274L96.6Very high94.1Very high8 Ų861 Ų614%0.04234%0.338CS..Hα-helixtrans-62.9-45.6177.3178.265000111.7A20 I31 T56 G270 N271 K276 A277 M278A20-L274 HydrophobicContact CB-CD2 4.33Å; I31-L274 HydrophobicContact CD1-CD2 3.64Å; I31-L274 HydrophobicContact CG1-CD2 3.86Å; T56-L274 HydrophobicContact CG2-CD1 4.3Å; T56-L274 HydrophobicContact CG2-CD2 4.05Å; G270-L274 PolarHBondContact O-N 3.45Å; N271-L274 PolarHBondContact O-N 3.35Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.87Å; L274-A277 PolarHBondContact O-N 3.27Å; L274-M278 HydrophobicContact CD1-CG 4.34Å; L274-M278 HydrophobicContact CG-CE 4.09Å; L274-M278 HydrophobicContact CG-SD 4.48Å; L274-M278 WeakPolarHBondContact O-CB 3.31Å; L274-M278 WeakPolarHBondContact O-CG 3.18Å; L274-M278 PolarHBondContact O-N 2.97Å
275D96.6Very high93.6Very high67 Ų6765.3 Ų65.336%0.35836%0.361SS..Hα-helixtrans-62.7-40.3-179.9-70.7-22.4000111.2R24 N271 M278 A279R24-D275 IonicContact NH1-OD1 2.72Å; R24-D275 PolarHBondContact NH1-OD1 3.05Å; R24-D275 IonicContact NH1-OD2 3.26Å; N271-D275 WeakPolarHBondContact O-CB 3.27Å; N271-D275 VanDerWaalsContact O-CG 3.27Å; N271-D275 PolarHBondContact O-N 2.77Å; D275-M278 PolarHBondContact O-N 3Å; D275-M278 VanDerWaalsContact OD1-CE 3.26Å; D275-M278 WeakPolarHBondContact OD1-CE 3.49Å; D275-A279 WeakPolarHBondContact O-CB 3.24Å; D275-A279 PolarHBondContact O-N 2.86Å
276K96.9Very high93Very high123 Ų12365.1 Ų65.154%0.53536%0.356SS..Hα-helixtrans-61.7-49.8173.1-179.2-176.8172.9-173.30111.5A272 L273 L274 M278 A279 E280A272-K276 WeakPolarHBondContact O-CB 3.49Å; A272-K276 PolarHBondContact O-N 3.11Å; L273-K276 PolarHBondContact O-N 3.39Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.87Å; K276-M278 VanDerWaalsContact C-N 3.29Å; K276-M278 PolarHBondContact O-N 2.81Å; K276-A279 WeakPolarHBondContact O-CB 3.23Å; K276-A279 PolarHBondContact O-N 2.99Å; K276-A279 VanDerWaalsContact O-N 3.08Å; K276-E280 WeakPolarHBondContact CE-OE1 3.35Å; K276-E280 IonicContact NZ-OE1 2.78Å; K276-E280 WeakPolarHBondContact O-CG 3.48Å; K276-E280 PolarHBondContact O-N 2.91Å
277A95.9Very high92.5Very high8 Ų861.9 Ų61.97%0.06634%0.339CS..Hα-helixtrans-59.4-41178.800000111.8H34 L273 L274 A279 E280 D281H34-A277 WeakPolarHBondContact NE2-CB 3.35Å; L273-A277 WeakPolarHBondContact O-CB 3.39Å; L273-A277 PolarHBondContact O-N 3.25Å; L274-A277 PolarHBondContact O-N 3.27Å; A277-A279 VanDerWaalsContact C-N 3.35Å; A277-A279 PolarHBondContact O-N 2.95Å; A277-E280 PolarHBondContact O-N 2.87Å; A277-D281 WeakPolarHBondContact O-CB 2.87Å; A277-D281 PolarHBondContact O-N 2.89Å
278M95.3Very high91.9Very high18 Ų1863.1 Ų63.19%0.08936%0.355CS..Hα-helixtrans-63.8-36.2174.2-74.6-167.7-6100113.2R16 R17 A20 L274 D275 K276R16-M278 HydrophobicContact CG-CG 4.3Å; R17-M278 HydrophobicContact CB-SD 4.48Å; R17-M278 HydrophobicContact CG-SD 4.06Å; R17-M278 PolarHBondContact NH1-O 2.81Å; A20-M278 HydrophobicContact CB-CE 4.26Å; A20-M278 HydrophobicContact CB-SD 4.16Å; L274-M278 HydrophobicContact CD1-CG 4.34Å; L274-M278 HydrophobicContact CG-CE 4.09Å; L274-M278 HydrophobicContact CG-SD 4.48Å; L274-M278 WeakPolarHBondContact O-CB 3.31Å; L274-M278 WeakPolarHBondContact O-CG 3.18Å; L274-M278 PolarHBondContact O-N 2.97Å; D275-M278 PolarHBondContact O-N 3Å; D275-M278 VanDerWaalsContact OD1-CE 3.26Å; D275-M278 WeakPolarHBondContact OD1-CE 3.49Å; K276-M278 VanDerWaalsContact C-N 3.29Å; K276-M278 PolarHBondContact O-N 2.81Å
279A94.9Very high91.6Very high84 Ų8465.2 Ų65.269%0.69435%0.352SS*.Hα-helixtrans-71.4-33.9177.600000112.4D275 K276 A277D275-A279 WeakPolarHBondContact O-CB 3.24Å; D275-A279 PolarHBondContact O-N 2.86Å; K276-A279 WeakPolarHBondContact O-CB 3.23Å; K276-A279 PolarHBondContact O-N 2.99Å; K276-A279 VanDerWaalsContact O-N 3.08Å; A277-A279 VanDerWaalsContact C-N 3.35Å; A277-A279 PolarHBondContact O-N 2.95Å
280E94.4Very high91Very high124 Ų12466.9 Ų66.958%0.57935%0.352SS*.Hα-helixtrans-80.8-17.4177.7-68.4174.7175.200112.9K276 A277 K282K276-E280 WeakPolarHBondContact CE-OE1 3.35Å; K276-E280 IonicContact NZ-OE1 2.78Å; K276-E280 WeakPolarHBondContact O-CG 3.48Å; K276-E280 PolarHBondContact O-N 2.91Å; A277-E280 PolarHBondContact O-N 2.87Å; E280-K282 PolarHBondContact O-N 2.78Å
281D91.6Very high90.3Very high10 Ų1074.4 Ų74.45%0.05339%0.392CS..  trans-71.1110.1-179.7-173.54.1000113.1R16 Y73 Y75 A277 S283R16-D281 WeakPolarHBondContact CD-OD2 3.3Å; R16-D281 IonicContact CZ-OD2 3.65Å; R16-D281 IonicContact NE-OD2 2.77Å; R16-D281 VanDerWaalsContact NH1-CG 3.29Å; R16-D281 IonicContact NH1-OD2 3.9Å; R16-D281 PolarHBondContact NH1-OD2 2.77Å; Y73-D281 PolarHBondContact OH-OD2 3.47Å; Y75-D281 HydrophobicContact CE1-CB 4.31Å; A277-D281 WeakPolarHBondContact O-CB 2.87Å; A277-D281 PolarHBondContact O-N 2.89Å; D281-S283 WeakPolarHBondContact OD1-CB 3.34Å; D281-S283 PolarHBondContact OD1-N 2.69Å; D281-S283 PolarHBondContact OD1-OG 3.12Å
282K88.9Confident89.5Confident157 Ų15777.5 Ų77.568%0.68340%0.403SS*.  trans-94.716.6176.5-57.7-175-177.9178.80113.8E280 D284 D285 W286E280-K282 PolarHBondContact O-N 2.78Å; K282-D284 PolarHBondContact O-N 3.28Å; K282-D285 PolarHBondContact O-N 3.24Å; K282-W286 PolarHBondContact O-N 2.81Å
283S85.1Confident88.2Confident10 Ų1082.7 Ų82.77%0.0742%0.416CS..Hα-helixtrans-59.7-34.9-179.4-62.40000111.7Y73 D281 D285 W286 F287Y73-S283 WeakPolarHBondContact OH-CB 3.4Å; Y73-S283 PolarHBondContact OH-OG 2.8Å; D281-S283 WeakPolarHBondContact OD1-CB 3.34Å; D281-S283 PolarHBondContact OD1-N 2.69Å; D281-S283 PolarHBondContact OD1-OG 3.12Å; S283-D285 PolarHBondContact O-N 2.56Å; S283-W286 CarbonylContact O-C 3.6Å; S283-W286 WeakPolarHBondContact O-CB 3.19Å; S283-W286 PolarHBondContact O-N 3.43Å; S283-W286 VanDerWaalsContact O-N 3.13Å; S283-F287 WeakPolarHBondContact O-CD2 3.43Å; S283-F287 PolarHBondContact O-N 3.12Å
284D82.9Confident87Confident60 Ų6081 Ų8132%0.32141%0.406SS..Hα-helixtrans-62.4-43.6179.1-62.3-23.7000111.6R17 K282 W286 F287 A288 K294R17-D284 IonicContact CZ-OD2 3.9Å; R17-D284 IonicContact NE-OD2 3.34Å; R17-D284 PolarHBondContact NE-OD2 2.86Å; R17-D284 IonicContact NH2-OD2 3.66Å; R17-D284 PolarHBondContact NH2-OD2 3Å; K282-D284 PolarHBondContact O-N 3.28Å; D284-W286 VanDerWaalsContact C-N 3.28Å; D284-W286 PolarHBondContact O-N 2.93Å; D284-F287 PolarHBondContact O-N 3.47Å; D284-A288 WeakPolarHBondContact O-CB 3.06Å; D284-A288 PolarHBondContact O-N 3.13Å; D284-K294 WeakPolarHBondContact OD1-CD 3.42Å; D284-K294 WeakPolarHBondContact OD1-CE 3.25Å; D284-K294 IonicContact OD1-NZ 3.57Å; D284-K294 PolarHBondContact OD1-NZ 3.22Å
285D85.4Confident85.3Confident95 Ų9581.2 Ų81.251%0.50841%0.409SS..Hα-helixtrans-61.3-39.1173.7-67.3-18.2000111.4K282 S283 K289K282-D285 PolarHBondContact O-N 3.24Å; S283-D285 PolarHBondContact O-N 2.56Å; D285-K289 WeakPolarHBondContact O-CB 3.11Å; D285-K289 VanDerWaalsContact O-CG 3.25Å; D285-K289 WeakPolarHBondContact O-CG 3.36Å; D285-K289 PolarHBondContact O-N 2.75Å
286W85.6Confident83.3Confident104 Ų10482.3 Ų82.339%0.39442%0.422SS..Hα-helixtrans-66.7-47.2177.4-176.593.8000111.4K282 S283 D284 A288 K289 H290K282-W286 PolarHBondContact O-N 2.81Å; S283-W286 CarbonylContact O-C 3.6Å; S283-W286 WeakPolarHBondContact O-CB 3.19Å; S283-W286 PolarHBondContact O-N 3.43Å; S283-W286 VanDerWaalsContact O-N 3.13Å; D284-W286 VanDerWaalsContact C-N 3.28Å; D284-W286 PolarHBondContact O-N 2.93Å; W286-A288 PolarHBondContact O-N 3.17Å; W286-K289 PolarHBondContact O-N 3.47Å; W286-H290 AromaticContact CD1-CE1 3.64Å; W286-H290 AromaticContact CD1-ND1 3.96Å; W286-H290 AromaticContact CD2-ND1 3.82Å; W286-H290 AromaticContact CE2-CE1 3.65Å; W286-H290 AromaticContact CE2-ND1 3.7Å; W286-H290 AromaticContact CG-ND1 3.98Å; W286-H290 AromaticContact NE1-CE1 3.31Å; W286-H290 PolarHBondContact NE1-CE1 3.17Å; W286-H290 VanDerWaalsContact NE1-CE1 3.31Å; W286-H290 AromaticContact NE1-ND1 3.77Å; W286-H290 PolarHBondContact O-N 3.02Å; W286-H290 PolarHBondContact O-ND1 3.21Å
287F85.3Confident80.7Confident11 Ų1181 Ų815%0.04843%0.434CS..Hα-helixtrans-59.9-45.3176.8-81.8-69.6000111.6G76 S283 D284 K289 H290 N291 K292 K294G76-F287 WeakPolarHBondContact O-CZ 3.38Å; S283-F287 WeakPolarHBondContact O-CD2 3.43Å; S283-F287 PolarHBondContact O-N 3.12Å; D284-F287 PolarHBondContact O-N 3.47Å; F287-K289 PolarHBondContact O-N 3.34Å; F287-H290 CarbonylContact O-C 3.5Å; F287-H290 PolarHBondContact O-N 2.83Å; F287-H290 VanDerWaalsContact O-N 3.12Å; F287-N291 PolarHBondContact O-N 3.4Å; F287-N291 VanDerWaalsContact O-N 3.17Å; F287-K292 CarbonylContact C-O 3.56Å; F287-K292 HydrophobicContact CD1-CB 3.64Å; F287-K292 HydrophobicContact CE1-CB 4.35Å; F287-K292 PolarHBondContact O-N 3.23Å; F287-K294 HydrophobicContact CD2-CD 4.24Å; F287-K294 HydrophobicContact CD2-CG 3.81Å; F287-K294 HydrophobicContact CE2-CD 4.28Å; F287-K294 VanDerWaalsContact CE2-CE 3.47Å; F287-K294 HydrophobicContact CE2-CG 3.82Å; F287-K294 HydrophobicContact CG-CG 4.34Å; F287-K294 HydrophobicContact CZ-CG 4.33Å
288A84.8Confident79.9Confident69 Ų6984.7 Ų84.757%0.5745%0.453SS*.Hα-helixtrans-60.1-45.1177.500000112.2D284 W286 H290 N291D284-A288 WeakPolarHBondContact O-CB 3.06Å; D284-A288 PolarHBondContact O-N 3.13Å; W286-A288 PolarHBondContact O-N 3.17Å; A288-H290 PolarHBondContact O-N 3.47Å; A288-N291 PolarHBondContact O-N 3.24Å
289K87.2Confident79.1Confident168 Ų16888.2 Ų88.273%0.7347%0.472SS*.Hα-helixtrans-62.6-24.3176.7-76.4172.3-177.6173.80113.7D285 W286 F287D285-K289 WeakPolarHBondContact O-CB 3.11Å; D285-K289 VanDerWaalsContact O-CG 3.25Å; D285-K289 WeakPolarHBondContact O-CG 3.36Å; D285-K289 PolarHBondContact O-N 2.75Å; W286-K289 PolarHBondContact O-N 3.47Å; F287-K289 PolarHBondContact O-N 3.34Å
290H82.6Confident78.2Confident101 Ų10188.4 Ų88.447%0.46846%0.46SS..THydrogen-bonded Turntrans-105.712.3-177.9-64.583.7000113.3W286 F287 A288 K292W286-H290 AromaticContact CD1-CE1 3.64Å; W286-H290 AromaticContact CD1-ND1 3.96Å; W286-H290 AromaticContact CD2-ND1 3.82Å; W286-H290 AromaticContact CE2-CE1 3.65Å; W286-H290 AromaticContact CE2-ND1 3.7Å; W286-H290 AromaticContact CG-ND1 3.98Å; W286-H290 AromaticContact NE1-CE1 3.31Å; W286-H290 PolarHBondContact NE1-CE1 3.17Å; W286-H290 VanDerWaalsContact NE1-CE1 3.31Å; W286-H290 AromaticContact NE1-ND1 3.77Å; W286-H290 PolarHBondContact O-N 3.02Å; W286-H290 PolarHBondContact O-ND1 3.21Å; F287-H290 CarbonylContact O-C 3.5Å; F287-H290 PolarHBondContact O-N 2.83Å; F287-H290 VanDerWaalsContact O-N 3.12Å; A288-H290 PolarHBondContact O-N 3.47Å; H290-K292 PolarHBondContact O-N 3.33Å
291N79.3Confident77.3Confident158 Ų15886.4 Ų86.485%0.84545%0.453SS*.THydrogen-bonded Turntrans51.637-177.4-66.4-35.1000113.6F287 A288F287-N291 PolarHBondContact O-N 3.4Å; F287-N291 VanDerWaalsContact O-N 3.17Å; A288-N291 PolarHBondContact O-N 3.24Å
292K77.1Confident76.4Confident122 Ų12291.1 Ų91.153%0.5348%0.477SS..  trans-111.9151.2175.9-73-179.4-179.9-177.30109.8F287 H290F287-K292 CarbonylContact C-O 3.56Å; F287-K292 HydrophobicContact CD1-CB 3.64Å; F287-K292 HydrophobicContact CE1-CB 4.35Å; F287-K292 PolarHBondContact O-N 3.23Å; H290-K292 PolarHBondContact O-N 3.33Å
293Q68.9Low75.6Confident174 Ų17486.7 Ų86.781%0.81346%0.464SS*.  trans-114.2150.7175.5-66-175.40.300110.5
294K70.7Confident74.9Confident30 Ų3092.2 Ų92.213%0.1349%0.492CS..PPolyproline II helixtrans-78.9155.8166.6-71.8179.1166.9176.30109.6Y73 D284 F287 S296Y73-K294 PolarHBondContact OH-NZ 3.31Å; Y73-K294 VanDerWaalsContact OH-NZ 3.12Å; D284-K294 WeakPolarHBondContact OD1-CD 3.42Å; D284-K294 WeakPolarHBondContact OD1-CE 3.25Å; D284-K294 IonicContact OD1-NZ 3.57Å; D284-K294 PolarHBondContact OD1-NZ 3.22Å; F287-K294 HydrophobicContact CD2-CD 4.24Å; F287-K294 HydrophobicContact CD2-CG 3.81Å; F287-K294 HydrophobicContact CE2-CD 4.28Å; F287-K294 VanDerWaalsContact CE2-CE 3.47Å; F287-K294 HydrophobicContact CE2-CG 3.82Å; F287-K294 HydrophobicContact CG-CG 4.34Å; F287-K294 HydrophobicContact CZ-CG 4.33Å; K294-S296 PolarHBondContact O-N 3.06Å
295A62.3Low74.3Confident12 Ų1294.7 Ų94.710%0.09951%0.505CS..PPolyproline II helixtrans-52.7124.2179.400000111.1G78 E79G78-A295 VanDerWaalsContact O-CB 3.31Å; G78-A295 WeakPolarHBondContact O-CB 3.44Å; G78-A295 PolarHBondContact O-N 3.27Å; E79-A295 HydrophobicContact CB-CB 4.06Å; E79-A295 HydrophobicContact CG-CB 4.05Å
296S54.4Low73.3Confident91 Ų9194.7 Ų94.764%0.63651%0.505SS*.PPolyproline II helixtrans-84139.5164.451.60000109.5K294K294-S296 PolarHBondContact O-N 3.06Å
297A41.8Very low72.2Confident96 Ų9693.8 Ų93.879%0.79352%0.515SS*.  trans-67.90160.400000109.5

Retrieved 297 of 297 residues in 519.2 ms (Link to these results)

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