A0A5K4F7M2_SCHMA Loading...

Coatomer subunit delta

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network.

AlphaFold DB , UniProt , Accession A0A5K4F7M2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 551 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
1M63Low89.2Confident78 Ų7826.1 Ų26.138%0.38412%0.12SC..  0107.30-176.9-172.3175.900106.9E78 Y121 R122M1-E78 HydrophobicContact CE-CG 3.94Å; M1-E78 WeakPolarHBondContact CE-OE1 3.33Å; M1-E78 WeakPolarHBondContact CE-OE2 2.98Å; M1-Y121 HydrophobicContact CB-CE1 4.47Å; M1-Y121 WeakPolarHBondContact O-CE1 3.46Å; M1-Y121 HydrophobicContact SD-CD1 4.39Å; M1-R122 HydrophobicContact CE-CB 4.32Å
2V78.6Confident89.1Confident40 Ų4036.4 Ų36.424%0.24218%0.176CC..  trans-151.5110.8177.5-165.30000109L4 V22 T71 G120V2-L4 HydrophobicContact CG1-CD2 4.28Å; V2-V22 HydrophobicContact CG1-CG2 3.33Å; V2-T71 PolarHBondContact O-N 3.29Å; V2-G120 WeakPolarHBondContact CA-O 3.47Å
3L90.7Very high88.9Confident1 Ų134.3 Ų34.31%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-72.1121.9161.5-90.5151.4000108.1L68 T70 T82 I117 G120L3-L68 HydrophobicContact CD2-CB 3.77Å; L3-L68 HydrophobicContact CD2-CD1 3.76Å; L3-L68 HydrophobicContact CD2-CD2 4.22Å; L3-L68 HydrophobicContact CD2-CG 4.12Å; L3-T70 HydrophobicContact CD2-CG2 3.21Å; L3-T70 HydrophobicContact CG-CG2 3.78Å; L3-T82 HydrophobicContact CD1-CG2 4.1Å; L3-I117 HydrophobicContact CB-CD1 4.23Å; L3-I117 HydrophobicContact CB-CG2 4.49Å; L3-I117 HydrophobicContact CD1-CD1 3.72Å; L3-I117 HydrophobicContact CD1-CG1 4.33Å; L3-I117 HydrophobicContact CD2-CD1 4.43Å; L3-I117 HydrophobicContact CG-CD1 4.34Å; L3-G120 PolarHBondContact N-O 2.95Å; L3-G120 VanDerWaalsContact O-CA 3.27Å; L3-G120 WeakPolarHBondContact O-CA 3.42Å
4L93.6Very high89.1Confident23 Ų2340.9 Ų40.912%0.1220%0.197CC..EExtended strand (participates in β ladder)trans-84-48.7-175-57.4177.8000111V2 F21 V22 M24 V54 I69 T71V2-L4 HydrophobicContact CG1-CD2 4.28Å; L4-F21 PolarHBondContact O-N 2.9Å; L4-V22 HydrophobicContact CD2-CB 4.23Å; L4-V22 HydrophobicContact CD2-CG2 3.97Å; L4-V22 PolarHBondContact O-N 2.89Å; L4-M24 HydrophobicContact CB-CE 3.76Å; L4-M24 WeakPolarHBondContact O-CE 3.38Å; L4-V54 HydrophobicContact CD1-CG1 3.85Å; L4-I69 WeakPolarHBondContact CA-O 3.43Å; L4-I69 HydrophobicContact CB-CG2 4.41Å; L4-I69 VanDerWaalsContact CB-O 3.26Å; L4-I69 WeakPolarHBondContact CB-O 3.44Å; L4-I69 HydrophobicContact CD1-CG2 4.2Å; L4-I69 PolarHBondContact N-O 3.41Å; L4-T71 HydrophobicContact CD1-CG2 4.22Å; L4-T71 HydrophobicContact CD2-CG2 3.94Å; L4-T71 HydrophobicContact CG-CG2 4.19Å
5A94.8Very high89.3Confident0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-155.2151.3-179.500000111.8R19 Q20 M24 I29 I69A5-R19 CarbonylContact C-O 3.53Å; A5-R19 WeakPolarHBondContact CA-O 3.38Å; A5-R19 WeakPolarHBondContact CB-O 3.32Å; A5-Q20 HydrophobicContact CB-CG 4.19Å; A5-M24 HydrophobicContact CB-CE 3.96Å; A5-M24 HydrophobicContact CB-SD 4.24Å; A5-I29 HydrophobicContact CB-CD1 3.73Å; A5-I69 PolarHBondContact N-O 3.07Å; A5-I69 PolarHBondContact O-N 2.81Å
6A95.6Very high89.6Confident0 Ų039.6 Ų39.60%020%0.2CC..EExtended strand (participates in β ladder)trans-114.2131.8167.600000109.3S18 R19 F21 L67 L68 F86A6-S18 CarbonylContact O-C 3.53Å; A6-S18 WeakPolarHBondContact O-CA 3.43Å; A6-R19 PolarHBondContact N-O 3.23Å; A6-R19 PolarHBondContact O-N 3.43Å; A6-F21 HydrophobicContact CB-CE2 3.76Å; A6-F21 HydrophobicContact CB-CZ 4.21Å; A6-L67 CarbonylContact C-O 3.52Å; A6-L67 WeakPolarHBondContact CA-O 3.25Å; A6-L68 HydrophobicContact CB-CD2 3.47Å; A6-L68 VanDerWaalsContact CB-CD2 3.47Å; A6-F86 HydrophobicContact CB-CD1 3.94Å; A6-F86 HydrophobicContact CB-CE1 3.27Å; A6-F86 HydrophobicContact CB-CZ 3.68Å
7S95Very high89.8Confident2 Ų237.8 Ų37.81%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-139.4146.9-174.5-49.20000111.8V17 S18 I33 L67S7-V17 CarbonylContact C-O 3.58Å; S7-V17 VanDerWaalsContact CA-O 3.27Å; S7-V17 WeakPolarHBondContact CA-O 3.4Å; S7-S18 WeakPolarHBondContact OG-CB 3.42Å; S7-S18 PolarHBondContact OG-OG 3.38Å; S7-I33 WeakPolarHBondContact OG-CD1 3.39Å; S7-L67 PolarHBondContact N-O 3.12Å; S7-L67 PolarHBondContact O-N 3.19Å
8V94.7Very high90.1Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-110.4124.3166.9-174.20000107.2L16 V17 L64 Y65 I90 V102 F113V8-L16 HydrophobicContact CG1-CD1 4.35Å; V8-L16 WeakPolarHBondContact O-CB 3.2Å; V8-L16 PolarHBondContact O-N 3.47Å; V8-V17 PolarHBondContact N-O 3Å; V8-V17 PolarHBondContact O-N 3.41Å; V8-L64 HydrophobicContact CG1-CB 4.25Å; V8-L64 HydrophobicContact CG1-CD1 3.94Å; V8-Y65 WeakPolarHBondContact CA-O 3.42Å; V8-I90 HydrophobicContact CG2-CD1 3.52Å; V8-I90 HydrophobicContact CG2-CG1 4.27Å; V8-V102 HydrophobicContact CB-CG1 4.37Å; V8-V102 HydrophobicContact CG1-CG1 4.2Å; V8-F113 HydrophobicContact CG2-CZ 4.38Å
9C94Very high90.4Very high0 Ų039.5 Ų39.50%020%0.198CC..EExtended strand (participates in β ladder)trans-132.6157.9179.8630000112.3K14 I33 L64 Y65C9-K14 CarbonylContact C-O 3.57Å; C9-K14 WeakPolarHBondContact CA-O 3.44Å; C9-K14 VanDerWaalsContact CB-O 3.25Å; C9-K14 WeakPolarHBondContact CB-O 3.39Å; C9-I33 HydrophobicContact CB-CG2 3.74Å; C9-L64 CarbonylContact O-C 3.56Å; C9-L64 WeakPolarHBondContact O-CA 3.47Å; C9-Y65 PolarHBondContact N-O 2.88Å; C9-Y65 PolarHBondContact O-N 3.48Å
10T92.9Very high90.6Very high4 Ų440.4 Ų40.43%0.02520%0.202CC..EExtended strand (participates in β ladder)trans-72.8166.417272.40000110.3D12 G13 K14 L16 L64 E99T10-D12 PolarHBondContact O-N 2.95Å; T10-D12 VanDerWaalsContact O-N 3.14Å; T10-D12 PolarHBondContact OG1-N 3.31Å; T10-G13 PolarHBondContact O-N 3.06Å; T10-K14 HydrophobicContact CG2-CB 4.12Å; T10-K14 PolarHBondContact N-O 3.07Å; T10-K14 WeakPolarHBondContact OG1-CB 3.48Å; T10-K14 PolarHBondContact OG1-N 2.77Å; T10-L16 HydrophobicContact CG2-CD1 4.32Å; T10-L16 HydrophobicContact CG2-CD2 3.91Å; T10-L16 HydrophobicContact CG2-CG 4.12Å; T10-L64 HydrophobicContact CG2-CD2 4.38Å; T10-E99 VanDerWaalsContact CG2-CD 3.44Å; T10-E99 HydrophobicContact CG2-CG 4.04Å; T10-E99 WeakPolarHBondContact CG2-OE1 3.19Å
11R88.4Confident90.8Very high139 Ų13939.5 Ų39.553%0.52520%0.196SC..THydrogen-bonded Turntrans-59-24.5175.2-68.9-175.4179-163.60.9113.9G13 E62 K63 Y65R11-G13 VanDerWaalsContact C-N 3.29Å; R11-E62 PolarHBondContact NH2-O 3.48Å; R11-K63 WeakPolarHBondContact CG-O 3.35Å; R11-Y65 HydrophobicContact CB-CE2 4.11Å; R11-Y65 HydrophobicContact CG-CD2 4.22Å; R11-Y65 HydrophobicContact CG-CE2 3.71Å
12D87.9Confident92.1Very high150 Ų15038.3 Ų38.380%0.80219%0.193SC*.THydrogen-bonded Turntrans-83.6-2.1177.3-58.1-38.6000113.4T10T10-D12 PolarHBondContact O-N 2.95Å; T10-D12 VanDerWaalsContact O-N 3.14Å; T10-D12 PolarHBondContact OG1-N 3.31Å
13G87Confident92.5Very high9 Ų945.7 Ų45.79%0.09323%0.225CC..  trans8616.8179.100000114.9T10 R11 A15T10-G13 PolarHBondContact O-N 3.06Å; R11-G13 VanDerWaalsContact C-N 3.29Å; G13-A15 PolarHBondContact O-N 3.03Å
14K91.3Very high92.4Very high126 Ų12647.7 Ų47.755%0.54824%0.235SC..  trans-78119.7171-176.8-174.1173.2-166.70109C9 T10 L16C9-K14 CarbonylContact C-O 3.57Å; C9-K14 WeakPolarHBondContact CA-O 3.44Å; C9-K14 VanDerWaalsContact CB-O 3.25Å; C9-K14 WeakPolarHBondContact CB-O 3.39Å; T10-K14 HydrophobicContact CG2-CB 4.12Å; T10-K14 PolarHBondContact N-O 3.07Å; T10-K14 WeakPolarHBondContact OG1-CB 3.48Å; T10-K14 PolarHBondContact OG1-N 2.77Å; K14-L16 PolarHBondContact O-N 2.89Å
15A92.7Very high92.4Very high42 Ų4251 Ų5135%0.34726%0.257SS..EExtended strand (participates in β ladder)trans-68.7125.7173.800000110.3G13 I33G13-A15 PolarHBondContact O-N 3.03Å; A15-I33 HydrophobicContact CB-CD1 3.79Å; A15-I33 HydrophobicContact CB-CG2 4.02Å
16L93.1Very high92.2Very high19 Ų1958.2 Ų58.210%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-91-52172.4-60.7179000110.2V8 T10 K14 L64 E99 V102 L103V8-L16 HydrophobicContact CG1-CD1 4.35Å; V8-L16 WeakPolarHBondContact O-CB 3.2Å; V8-L16 PolarHBondContact O-N 3.47Å; T10-L16 HydrophobicContact CG2-CD1 4.32Å; T10-L16 HydrophobicContact CG2-CD2 3.91Å; T10-L16 HydrophobicContact CG2-CG 4.12Å; K14-L16 PolarHBondContact O-N 2.89Å; L16-L64 HydrophobicContact CD1-CD1 3.98Å; L16-L64 HydrophobicContact CD1-CD2 3.65Å; L16-L64 HydrophobicContact CD1-CG 4.46Å; L16-E99 HydrophobicContact CD1-CB 4.22Å; L16-E99 HydrophobicContact CD1-CG 4.09Å; L16-E99 HydrophobicContact CD2-CB 4.33Å; L16-E99 HydrophobicContact CD2-CG 4.39Å; L16-V102 HydrophobicContact CB-CG1 4.11Å; L16-V102 HydrophobicContact CD1-CB 4.35Å; L16-V102 HydrophobicContact CD1-CG1 4.25Å; L16-L103 HydrophobicContact CB-CD2 4.34Å; L16-L103 HydrophobicContact CD2-CD1 4.36Å; L16-L103 HydrophobicContact CD2-CD2 4.42Å; L16-L103 HydrophobicContact CD2-CG 4.36Å
17V94.1Very high92.1Very high9 Ų961.7 Ų61.76%0.05532%0.317CS..EExtended strand (participates in β ladder)trans-138.6138.5177177.40000107.8S7 V8 V102 A106 I110 F113S7-V17 CarbonylContact C-O 3.58Å; S7-V17 VanDerWaalsContact CA-O 3.27Å; S7-V17 WeakPolarHBondContact CA-O 3.4Å; V8-V17 PolarHBondContact N-O 3Å; V8-V17 PolarHBondContact O-N 3.41Å; V17-V102 HydrophobicContact CG2-CG1 3.9Å; V17-A106 HydrophobicContact CG2-CB 3.59Å; V17-I110 HydrophobicContact CG1-CD1 4.4Å; V17-I110 HydrophobicContact CG1-CG1 4.02Å; V17-F113 HydrophobicContact CG1-CE2 4.41Å
18S94.8Very high92Very high29 Ų2968 Ų6820%0.20334%0.34CS..EExtended strand (participates in β ladder)trans-144.5122.8174.5-174.50000109.5A6 S7 Q20 I29A6-S18 CarbonylContact O-C 3.53Å; A6-S18 WeakPolarHBondContact O-CA 3.43Å; S7-S18 WeakPolarHBondContact OG-CB 3.42Å; S7-S18 PolarHBondContact OG-OG 3.38Å; S18-Q20 VanDerWaalsContact C-NE2 3.28Å; S18-Q20 PolarHBondContact O-NE2 3.37Å; S18-Q20 PolarHBondContact OG-NE2 2.81Å; S18-I29 WeakPolarHBondContact OG-CG1 3.44Å
19R95.2Very high91.9Very high80 Ų8068.4 Ų68.430%0.30234%0.343SS..EExtended strand (participates in β ladder)trans-107.9121.8174.2-176.955.6173.6134.7-7.5109.6A5 A6 F21 F113 D114A5-R19 CarbonylContact C-O 3.53Å; A5-R19 WeakPolarHBondContact CA-O 3.38Å; A5-R19 WeakPolarHBondContact CB-O 3.32Å; A6-R19 PolarHBondContact N-O 3.23Å; A6-R19 PolarHBondContact O-N 3.43Å; R19-F21 HydrophobicContact CB-CZ 4.25Å; R19-F21 HydrophobicContact CG-CD1 4.33Å; R19-F21 HydrophobicContact CG-CE1 3.68Å; R19-F21 HydrophobicContact CG-CZ 3.82Å; R19-F113 HydrophobicContact CB-CB 4.47Å; R19-F113 HydrophobicContact CB-CD2 4.03Å; R19-F113 HydrophobicContact CG-CB 4.45Å; R19-D114 IonicContact CZ-OD1 3.5Å; R19-D114 IonicContact CZ-OD2 3.59Å; R19-D114 IonicContact NE-OD1 3.32Å; R19-D114 PolarHBondContact NE-OD1 3Å; R19-D114 IonicContact NE-OD2 3.18Å; R19-D114 PolarHBondContact NE-OD2 2.81Å; R19-D114 IonicContact NH2-OD1 2.81Å; R19-D114 PolarHBondContact NH2-OD1 2.97Å; R19-D114 IonicContact NH2-OD2 3.34Å; R19-D114 PolarHBondContact NH2-OD2 3.2Å
20Q94.7Very high91.8Very high57 Ų5773.1 Ų73.127%0.26637%0.365SS..EExtended strand (participates in β ladder)trans-98.8128.4177.8-54.776.338.800109.3A5 S18 M24 I29A5-Q20 HydrophobicContact CB-CG 4.19Å; S18-Q20 VanDerWaalsContact C-NE2 3.28Å; S18-Q20 PolarHBondContact O-NE2 3.37Å; S18-Q20 PolarHBondContact OG-NE2 2.81Å; Q20-M24 HydrophobicContact CB-CE 4.02Å; Q20-M24 HydrophobicContact CB-CG 3.93Å; Q20-M24 HydrophobicContact CB-SD 4.01Å; Q20-M24 HydrophobicContact CG-CE 4.08Å; Q20-M24 HydrophobicContact CG-CG 3.58Å; Q20-M24 HydrophobicContact CG-SD 3.44Å; Q20-M24 WeakPolarHBondContact CG-SD 3.22Å; Q20-I29 HydrophobicContact CG-CG1 4.26Å
21F94.1Very high91.8Very high21 Ų2174.7 Ų74.79%0.09238%0.381CS..SBendtrans-100.6-10.3179.6-53.8-72.7000112.8L4 A6 R19 F86 F113 I117L4-F21 PolarHBondContact O-N 2.9Å; A6-F21 HydrophobicContact CB-CE2 3.76Å; A6-F21 HydrophobicContact CB-CZ 4.21Å; R19-F21 HydrophobicContact CB-CZ 4.25Å; R19-F21 HydrophobicContact CG-CD1 4.33Å; R19-F21 HydrophobicContact CG-CE1 3.68Å; R19-F21 HydrophobicContact CG-CZ 3.82Å; F21-F86 HydrophobicContact CZ-CZ 4.22Å; F21-F113 HydrophobicContact CZ-CB 4.4Å; F21-I117 HydrophobicContact CB-CG2 4.14Å; F21-I117 HydrophobicContact CD1-CB 3.89Å; F21-I117 HydrophobicContact CD1-CG2 3.62Å; F21-I117 WeakPolarHBondContact CD1-O 3.41Å; F21-I117 HydrophobicContact CD2-CB 4.27Å; F21-I117 HydrophobicContact CD2-CD1 4.07Å; F21-I117 HydrophobicContact CD2-CG2 3.75Å; F21-I117 HydrophobicContact CE1-CB 3.62Å; F21-I117 HydrophobicContact CE1-CG2 3.91Å; F21-I117 WeakPolarHBondContact CE1-O 3.39Å; F21-I117 HydrophobicContact CE2-CB 4.02Å; F21-I117 HydrophobicContact CE2-CD1 3.47Å; F21-I117 VanDerWaalsContact CE2-CD1 3.47Å; F21-I117 HydrophobicContact CE2-CG1 4.31Å; F21-I117 HydrophobicContact CE2-CG2 4.02Å; F21-I117 HydrophobicContact CG-CB 4.21Å; F21-I117 HydrophobicContact CG-CG2 3.55Å; F21-I117 HydrophobicContact CZ-CB 3.69Å; F21-I117 HydrophobicContact CZ-CD1 3.77Å; F21-I117 HydrophobicContact CZ-CG1 4.2Å; F21-I117 HydrophobicContact CZ-CG2 4.09Å
22V91Very high92Very high53 Ų5369.2 Ų69.232%0.32136%0.362SS..SBendtrans-126.3144.9174.3-177.40000108.3V2 L4 M24V2-V22 HydrophobicContact CG1-CG2 3.33Å; L4-V22 HydrophobicContact CD2-CB 4.23Å; L4-V22 HydrophobicContact CD2-CG2 3.97Å; L4-V22 PolarHBondContact O-N 2.89Å; V22-M24 PolarHBondContact O-N 2.87Å; V22-M24 VanDerWaalsContact O-N 3.09Å
23E87.9Confident92.2Very high195 Ų19562.1 Ų62.191%0.91132%0.324SS*.  trans-54.3117.2176.4-67.4-172.9172.700111.3
24M87.5Confident92.5Very high43 Ų4364.1 Ų64.121%0.21234%0.34CS..  trans-147.2148.1175.365.6-178.373.700110.4L4 A5 Q20 V22 I29L4-M24 HydrophobicContact CB-CE 3.76Å; L4-M24 WeakPolarHBondContact O-CE 3.38Å; A5-M24 HydrophobicContact CB-CE 3.96Å; A5-M24 HydrophobicContact CB-SD 4.24Å; Q20-M24 HydrophobicContact CB-CE 4.02Å; Q20-M24 HydrophobicContact CB-CG 3.93Å; Q20-M24 HydrophobicContact CB-SD 4.01Å; Q20-M24 HydrophobicContact CG-CE 4.08Å; Q20-M24 HydrophobicContact CG-CG 3.58Å; Q20-M24 HydrophobicContact CG-SD 3.44Å; Q20-M24 WeakPolarHBondContact CG-SD 3.22Å; V22-M24 PolarHBondContact O-N 2.87Å; V22-M24 VanDerWaalsContact O-N 3.09Å; M24-I29 HydrophobicContact CG-CB 4.44Å; M24-I29 HydrophobicContact SD-CB 3.75Å; M24-I29 HydrophobicContact SD-CD1 3.86Å; M24-I29 HydrophobicContact SD-CG1 4.08Å
25T92.7Very high92.4Very high94 Ų9461 Ų6158%0.57733%0.331SS*.  trans-72.7146.917862.10000110.6A27 R28 I29T25-A27 VanDerWaalsContact C-N 3.28Å; T25-A27 PolarHBondContact O-N 3.4Å; T25-R28 WeakPolarHBondContact O-CB 3.26Å; T25-R28 PolarHBondContact O-N 3.2Å; T25-R28 VanDerWaalsContact OG1-CB 3.32Å; T25-R28 WeakPolarHBondContact OG1-CB 3.49Å; T25-R28 PolarHBondContact OG1-N 3.05Å; T25-I29 PolarHBondContact O-N 2.95Å
26K91.2Very high92.4Very high150 Ų15059 Ų5965%0.65232%0.315SS*.Hα-helixtrans-52.8-45.2176.8-178.7177.5172.3179.30112.5R28 I29 E30K26-R28 PolarHBondContact O-N 2.85Å; K26-I29 WeakPolarHBondContact O-CG2 3.35Å; K26-I29 PolarHBondContact O-N 3.48Å; K26-E30 WeakPolarHBondContact CE-OE1 3.4Å; K26-E30 HydrophobicContact CG-CG 4.38Å; K26-E30 IonicContact NZ-OE1 2.69Å; K26-E30 WeakPolarHBondContact O-CG 3.4Å; K26-E30 PolarHBondContact O-N 3.34Å
27A92.8Very high92.2Very high74 Ų7459.4 Ų59.461%0.61232%0.319SS*.Hα-helixtrans-60.7-34.3178.400000112.8T25 G31T25-A27 VanDerWaalsContact C-N 3.28Å; T25-A27 PolarHBondContact O-N 3.4Å; A27-G31 PolarHBondContact O-N 2.93Å
28R93.1Very high91.9Very high134 Ų13467.5 Ų67.551%0.50635%0.353SS..Hα-helixtrans-69-48178-176.2176.5-179179.2-0111.1T25 K26 G31 L32T25-R28 WeakPolarHBondContact O-CB 3.26Å; T25-R28 PolarHBondContact O-N 3.2Å; T25-R28 VanDerWaalsContact OG1-CB 3.32Å; T25-R28 WeakPolarHBondContact OG1-CB 3.49Å; T25-R28 PolarHBondContact OG1-N 3.05Å; K26-R28 PolarHBondContact O-N 2.85Å; R28-G31 PolarHBondContact O-N 2.96Å; R28-L32 HydrophobicContact CG-CD1 4.18Å; R28-L32 VanDerWaalsContact O-CG 3.24Å; R28-L32 WeakPolarHBondContact O-CG 3.28Å; R28-L32 PolarHBondContact O-N 2.97Å
29I93.3Very high91.5Very high9 Ų968.9 Ų68.95%0.04636%0.358CS..Hα-helixtrans-66.2-42.9-179-174.557.7000111.9A5 S18 Q20 M24 T25 K26 G31 L32 I33 I69A5-I29 HydrophobicContact CB-CD1 3.73Å; S18-I29 WeakPolarHBondContact OG-CG1 3.44Å; Q20-I29 HydrophobicContact CG-CG1 4.26Å; M24-I29 HydrophobicContact CG-CB 4.44Å; M24-I29 HydrophobicContact SD-CB 3.75Å; M24-I29 HydrophobicContact SD-CD1 3.86Å; M24-I29 HydrophobicContact SD-CG1 4.08Å; T25-I29 PolarHBondContact O-N 2.95Å; K26-I29 WeakPolarHBondContact O-CG2 3.35Å; K26-I29 PolarHBondContact O-N 3.48Å; I29-G31 VanDerWaalsContact C-N 3.33Å; I29-G31 PolarHBondContact O-N 3.37Å; I29-L32 PolarHBondContact O-N 3.01Å; I29-I33 HydrophobicContact CD1-CD1 3.93Å; I29-I33 HydrophobicContact CD1-CG1 4.15Å; I29-I33 HydrophobicContact CG1-CD1 3.83Å; I29-I33 HydrophobicContact CG1-CG1 4.47Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 3.16Å; I29-I69 HydrophobicContact CD1-CD1 3.54Å
30E92.2Very high91Very high99 Ų9966.9 Ų66.946%0.46335%0.353SS..Hα-helixtrans-61.8-42175.5-71.7178.1160.100111.5K26 I33 A34K26-E30 WeakPolarHBondContact CE-OE1 3.4Å; K26-E30 HydrophobicContact CG-CG 4.38Å; K26-E30 IonicContact NZ-OE1 2.69Å; K26-E30 WeakPolarHBondContact O-CG 3.4Å; K26-E30 PolarHBondContact O-N 3.34Å; E30-I33 PolarHBondContact O-N 2.9Å; E30-A34 VanDerWaalsContact O-CB 3.23Å; E30-A34 WeakPolarHBondContact O-CB 3.34Å; E30-A34 PolarHBondContact O-N 2.91Å
31G92.6Very high89.8Confident36 Ų3666.3 Ų66.337%0.37136%0.363SS..Hα-helixtrans-63.3-4017600000113.5A27 R28 I29 T35A27-G31 PolarHBondContact O-N 2.93Å; R28-G31 PolarHBondContact O-N 2.96Å; I29-G31 VanDerWaalsContact C-N 3.33Å; I29-G31 PolarHBondContact O-N 3.37Å; G31-T35 WeakPolarHBondContact O-CB 3.38Å; G31-T35 PolarHBondContact O-N 2.95Å; G31-T35 PolarHBondContact O-OG1 3.44Å
32L93Very high88.6Confident24 Ų2472.4 Ų72.413%0.12640%0.402CS..Hα-helixtrans-65.4-47.6176.5-68.7171.5000111.2R28 I29 T35 F36 V54 Y56 I69R28-L32 HydrophobicContact CG-CD1 4.18Å; R28-L32 VanDerWaalsContact O-CG 3.24Å; R28-L32 WeakPolarHBondContact O-CG 3.28Å; R28-L32 PolarHBondContact O-N 2.97Å; I29-L32 PolarHBondContact O-N 3.01Å; L32-T35 PolarHBondContact O-N 3.46Å; L32-F36 PolarHBondContact O-N 3.36Å; L32-V54 HydrophobicContact CD2-CG2 3.89Å; L32-Y56 WeakPolarHBondContact CA-OH 3.38Å; L32-Y56 HydrophobicContact CB-CE1 4.28Å; L32-Y56 WeakPolarHBondContact CB-OH 3.36Å; L32-Y56 WeakPolarHBondContact CD2-OH 3.34Å; L32-Y56 PolarHBondContact O-OH 3.4Å; L32-I69 HydrophobicContact CB-CD1 3.99Å; L32-I69 HydrophobicContact CD1-CD1 4.31Å; L32-I69 HydrophobicContact CD1-CG2 4.3Å
33I92.8Very high87.2Confident2 Ų274 Ų741%0.0143%0.429CS..Hα-helixtrans-66-42.2-179.9-61.3166.3000111.4S7 C9 A15 I29 E30 T35 F36 P37 L67 I69S7-I33 WeakPolarHBondContact OG-CD1 3.39Å; C9-I33 HydrophobicContact CB-CG2 3.74Å; A15-I33 HydrophobicContact CB-CD1 3.79Å; A15-I33 HydrophobicContact CB-CG2 4.02Å; I29-I33 HydrophobicContact CD1-CD1 3.93Å; I29-I33 HydrophobicContact CD1-CG1 4.15Å; I29-I33 HydrophobicContact CG1-CD1 3.83Å; I29-I33 HydrophobicContact CG1-CG1 4.47Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 3.16Å; E30-I33 PolarHBondContact O-N 2.9Å; I33-T35 PolarHBondContact O-N 3.34Å; I33-F36 WeakPolarHBondContact O-CB 3.33Å; I33-F36 PolarHBondContact O-N 3.01Å; I33-P37 WeakPolarHBondContact O-CD 3.31Å; I33-L67 HydrophobicContact CG1-CD2 4.39Å; I33-I69 HydrophobicContact CG1-CD1 4.35Å
34A91.8Very high86Confident50 Ų5071.6 Ų71.641%0.41342%0.415SS..Hα-helixtrans-67.5-24.3179.100000113.3E30E30-A34 VanDerWaalsContact O-CB 3.23Å; E30-A34 WeakPolarHBondContact O-CB 3.34Å; E30-A34 PolarHBondContact O-N 2.91Å
35T90.6Very high85Confident61 Ų6179 Ų7937%0.37445%0.449SS..Hα-helixtrans-81.5-30176.8-56.40000111.8G31 L32 I33 K38 L39G31-T35 WeakPolarHBondContact O-CB 3.38Å; G31-T35 PolarHBondContact O-N 2.95Å; G31-T35 PolarHBondContact O-OG1 3.44Å; L32-T35 PolarHBondContact O-N 3.46Å; I33-T35 PolarHBondContact O-N 3.34Å; T35-K38 WeakPolarHBondContact O-CB 3.42Å; T35-K38 PolarHBondContact O-N 3.47Å; T35-L39 HydrophobicContact CG2-CD1 4.36Å; T35-L39 HydrophobicContact CG2-CD2 4.43Å; T35-L39 HydrophobicContact CG2-CG 4.29Å
36F91.1Very high84.1Confident0 Ų079.3 Ų79.30%044%0.444CS..Hα-helixtrans-50.6-50.1-173.4164.7-104.3000114.8L32 I33 K38 L39 L40 Y56 Y58 Y65 L67L32-F36 PolarHBondContact O-N 3.36Å; I33-F36 WeakPolarHBondContact O-CB 3.33Å; I33-F36 PolarHBondContact O-N 3.01Å; F36-K38 PolarHBondContact O-N 3.4Å; F36-K38 VanDerWaalsContact O-N 3.17Å; F36-L39 WeakPolarHBondContact O-CB 3.46Å; F36-L39 PolarHBondContact O-N 3.44Å; F36-L40 HydrophobicContact CE1-CD1 3.94Å; F36-L40 HydrophobicContact CE1-CG 4.5Å; F36-L40 HydrophobicContact CE2-CD2 3.85Å; F36-L40 HydrophobicContact CE2-CG 4.3Å; F36-L40 HydrophobicContact CZ-CD1 3.83Å; F36-L40 HydrophobicContact CZ-CD2 3.84Å; F36-L40 HydrophobicContact CZ-CG 4.1Å; F36-Y56 HydrophobicContact CB-CD1 4.42Å; F36-Y56 HydrophobicContact CB-CE1 4.34Å; F36-Y56 HydrophobicContact CD2-CD1 4.12Å; F36-Y56 AromaticContact CD2-CG 4Å; F36-Y56 HydrophobicContact CD2-CG 4Å; F36-Y58 AromaticContact CE2-CD1 3.67Å; F36-Y58 HydrophobicContact CE2-CD1 3.67Å; F36-Y58 HydrophobicContact CE2-CD2 4.19Å; F36-Y58 HydrophobicContact CE2-CE1 4.26Å; F36-Y58 AromaticContact CE2-CG 3.64Å; F36-Y58 HydrophobicContact CE2-CG 3.64Å; F36-Y58 AromaticContact CZ-CD1 3.91Å; F36-Y58 HydrophobicContact CZ-CD1 3.91Å; F36-Y58 AromaticContact CZ-CD2 3.56Å; F36-Y58 HydrophobicContact CZ-CD2 3.56Å; F36-Y58 HydrophobicContact CZ-CE2 4.16Å; F36-Y58 AromaticContact CZ-CG 3.4Å; F36-Y58 HydrophobicContact CZ-CG 3.4Å; F36-Y65 HydrophobicContact CE1-CD1 4.44Å; F36-Y65 HydrophobicContact CE1-CD2 4.04Å; F36-Y65 AromaticContact CE1-CG 3.94Å; F36-Y65 HydrophobicContact CE1-CG 3.94Å; F36-L67 HydrophobicContact CB-CD2 4.16Å; F36-L67 HydrophobicContact CD1-CD1 4.31Å; F36-L67 HydrophobicContact CD1-CD2 4.22Å; F36-L67 HydrophobicContact CD2-CD1 3.63Å; F36-L67 HydrophobicContact CD2-CD2 4.4Å; F36-L67 HydrophobicContact CE1-CD1 4.28Å; F36-L67 HydrophobicContact CE2-CD1 3.59Å; F36-L67 HydrophobicContact CG-CD1 4Å; F36-L67 HydrophobicContact CG-CD2 3.99Å; F36-L67 HydrophobicContact CZ-CD1 3.94Å
37P88.7Confident83.7Confident28 Ų2875.7 Ų75.718%0.18244%0.435CS..Hα-helixtrans-60.9-30.2-179.4-20.228.5000113.6I33 L39 L40I33-P37 WeakPolarHBondContact O-CD 3.31Å; P37-L39 PolarHBondContact O-N 3.38Å; P37-L40 WeakPolarHBondContact O-CB 3.45Å; P37-L40 PolarHBondContact O-N 3.3Å
38K88.2Confident83.6Confident178 Ų17875.8 Ų75.877%0.77442%0.421SS*.Hα-helixtrans-70.6-18.5178.6-56.2179.2-176.5175.20112.6T35 F36T35-K38 WeakPolarHBondContact O-CB 3.42Å; T35-K38 PolarHBondContact O-N 3.47Å; F36-K38 PolarHBondContact O-N 3.4Å; F36-K38 VanDerWaalsContact O-N 3.17Å
39L87.3Confident83.5Confident58 Ų5870.7 Ų70.730%0.30441%0.405SS..Hα-helixtrans-87.8-15.2178-55.4173.6000112.3T35 F36 P37 G41 V49 T51 Y56T35-L39 HydrophobicContact CG2-CD1 4.36Å; T35-L39 HydrophobicContact CG2-CD2 4.43Å; T35-L39 HydrophobicContact CG2-CG 4.29Å; F36-L39 WeakPolarHBondContact O-CB 3.46Å; F36-L39 PolarHBondContact O-N 3.44Å; P37-L39 PolarHBondContact O-N 3.38Å; L39-G41 PolarHBondContact O-N 3.49Å; L39-V49 HydrophobicContact CB-CG1 3.93Å; L39-V49 HydrophobicContact CD1-CG1 4.39Å; L39-T51 HydrophobicContact CD1-CG2 3.44Å; L39-T51 VanDerWaalsContact CD1-CG2 3.44Å; L39-T51 HydrophobicContact CD2-CG2 4.28Å; L39-Y56 HydrophobicContact CD1-CD2 3.88Å; L39-Y56 HydrophobicContact CD1-CE2 3.57Å
40L84.1Confident83.4Confident39 Ų3974.5 Ų74.520%0.20442%0.422CS..SBendtrans-7589.5175.3-59.5-179.2000109.1F36 P37 V49 Y58 Y65F36-L40 HydrophobicContact CE1-CD1 3.94Å; F36-L40 HydrophobicContact CE1-CG 4.5Å; F36-L40 HydrophobicContact CE2-CD2 3.85Å; F36-L40 HydrophobicContact CE2-CG 4.3Å; F36-L40 HydrophobicContact CZ-CD1 3.83Å; F36-L40 HydrophobicContact CZ-CD2 3.84Å; F36-L40 HydrophobicContact CZ-CG 4.1Å; P37-L40 WeakPolarHBondContact O-CB 3.45Å; P37-L40 PolarHBondContact O-N 3.3Å; L40-V49 HydrophobicContact CD2-CG2 4.35Å; L40-Y58 HydrophobicContact CD1-CE2 4.47Å; L40-Y58 HydrophobicContact CD2-CD1 4.46Å; L40-Y58 HydrophobicContact CD2-CD2 4.35Å; L40-Y58 HydrophobicContact CD2-CE1 3.77Å; L40-Y58 HydrophobicContact CD2-CE2 3.59Å; L40-Y58 VanDerWaalsContact CD2-OH 3.29Å; L40-Y58 WeakPolarHBondContact CD2-OH 3.47Å; L40-Y65 HydrophobicContact CD1-CE1 4.28Å; L40-Y65 HydrophobicContact CD1-CE2 3.97Å
41G70.2Confident83.2Confident45 Ų4571.4 Ų71.446%0.46441%0.41SS..  trans-60.7140.9174.800000111.6L39 G43L39-G41 PolarHBondContact O-N 3.49Å; G41-G43 PolarHBondContact O-N 3.35Å
42T68.4Low83Confident149 Ų14978.4 Ų78.491%0.91443%0.434SS*.THydrogen-bonded Turntrans-60.9122.8173.551.30000110
43G61.6Low82.6Confident86 Ų8680.9 Ų80.989%0.88745%0.453SS*.THydrogen-bonded Turntrans90.94.817300000116.5G41G41-G43 PolarHBondContact O-N 3.35Å
44K63Low82.6Confident145 Ų14580.8 Ų80.863%0.6345%0.452SS*.  trans-107.5110.5174.5-70.5-174.9177.2-173.60111.1H46K44-H46 VanDerWaalsContact C-N 3.31Å; K44-H46 PolarHBondContact O-N 2.94Å; K44-H46 VanDerWaalsContact O-N 3.15Å
45Q65.7Low82.7Confident198 Ų19879.6 Ų79.693%0.92544%0.437SS*.  trans-85.770.7173.1-64.2-176.84.600110.3
46H74.5Confident82.9Confident101 Ų10176.8 Ų76.847%0.46842%0.42SS..  trans-96.2139.7171.6-64.1-54000110.3K44 F48 Y58K44-H46 VanDerWaalsContact C-N 3.31Å; K44-H46 PolarHBondContact O-N 2.94Å; K44-H46 VanDerWaalsContact O-N 3.15Å; H46-F48 WeakPolarHBondContact CB-O 3.5Å; H46-F48 PolarHBondContact O-N 2.8Å; H46-Y58 WeakPolarHBondContact O-CE1 3.38Å; H46-Y58 PolarHBondContact O-OH 3.04Å
47T82.7Confident83Confident74 Ų7476.8 Ų76.845%0.45442%0.42SS..SBendtrans-80.5-7.1174.252.30000113.1Y58T47-Y58 PolarHBondContact O-N 3.02Å
48F90.9Very high83.3Confident75 Ų7576.7 Ų76.733%0.32942%0.416SS..EExtended strand (participates in β ladder)trans-148.4156.7175.969.2-85.1000111.4H46 E50 R55 Y56 V57 I76H46-F48 WeakPolarHBondContact CB-O 3.5Å; H46-F48 PolarHBondContact O-N 2.8Å; F48-E50 HydrophobicContact CD2-CG 4.05Å; F48-E50 HydrophobicContact CE2-CG 4.15Å; F48-R55 HydrophobicContact CB-CG 4.34Å; F48-R55 HydrophobicContact CD2-CG 4.22Å; F48-Y56 CarbonylContact C-O 3.2Å; F48-Y56 WeakPolarHBondContact CA-O 3.44Å; F48-Y56 VanDerWaalsContact CB-O 3.25Å; F48-Y56 WeakPolarHBondContact CB-O 3.39Å; F48-V57 HydrophobicContact CB-CG2 4.28Å; F48-I76 HydrophobicContact CB-CD1 4.16Å; F48-I76 HydrophobicContact CD1-CD1 4.27Å; F48-I76 HydrophobicContact CD1-CG1 4.27Å; F48-I76 HydrophobicContact CG-CD1 4.2Å
49V91.2Very high83.4Confident27 Ų2771.5 Ų71.516%0.16440%0.395CS..EExtended strand (participates in β ladder)trans-133130.4172.9-179.60000109.1L39 L40 Y56 Y58L39-V49 HydrophobicContact CB-CG1 3.93Å; L39-V49 HydrophobicContact CD1-CG1 4.39Å; L40-V49 HydrophobicContact CD2-CG2 4.35Å; V49-Y56 PolarHBondContact N-O 3.3Å; V49-Y56 PolarHBondContact O-N 2.94Å; V49-Y58 HydrophobicContact CG2-CE1 3.97Å
50E90.1Very high83.6Confident89 Ų8972.4 Ų72.442%0.41640%0.404SS..EExtended strand (participates in β ladder)trans-101.7132.8176.5-64.9-170.9174.300111.2F48 R55F48-E50 HydrophobicContact CD2-CG 4.05Å; F48-E50 HydrophobicContact CE2-CG 4.15Å; E50-R55 HydrophobicContact CG-CB 4.08Å; E50-R55 HydrophobicContact CG-CG 3.86Å; E50-R55 IonicContact OE1-CZ 3.73Å; E50-R55 IonicContact OE1-NE 3.69Å; E50-R55 PolarHBondContact OE1-NE 3.19Å; E50-R55 IonicContact OE1-NH2 3.22Å; E50-R55 PolarHBondContact OE1-NH2 3.05Å
51T89.5Confident83.8Confident34 Ų3471.6 Ų71.621%0.20940%0.399CS..  trans-104.1-174.7166.159.10000109.7L39 S53 V54 Y56 K72L39-T51 HydrophobicContact CD1-CG2 3.44Å; L39-T51 VanDerWaalsContact CD1-CG2 3.44Å; L39-T51 HydrophobicContact CD2-CG2 4.28Å; T51-S53 VanDerWaalsContact C-N 3.29Å; T51-S53 PolarHBondContact O-N 3.47Å; T51-V54 PolarHBondContact N-O 3.49Å; T51-V54 PolarHBondContact OG1-N 3.03Å; T51-V54 PolarHBondContact OG1-O 2.86Å; T51-Y56 HydrophobicContact CG2-CD2 4.26Å; T51-Y56 HydrophobicContact CG2-CE2 3.7Å; T51-K72 WeakPolarHBondContact O-CE 3.35Å; T51-K72 PolarHBondContact O-NZ 3.45Å
52E87.1Confident84.5Confident184 Ų18475 Ų7586%0.8640%0.403SS*.SBendtrans-61.7-37.7175.2-169.5175177.700112.5K72E52-K72 WeakPolarHBondContact O-CE 3.4Å; E52-K72 PolarHBondContact O-NZ 3.24Å
53S85.8Confident85.5Confident75 Ų7573.8 Ų73.852%0.52439%0.385SS..SBendtrans-103.1-34.9-168.859.30000115T51T51-S53 VanDerWaalsContact C-N 3.29Å; T51-S53 PolarHBondContact O-N 3.47Å
54V92.7Very high86.9Confident1 Ų169.8 Ų69.81%0.00634%0.343CS..  trans-139156.2-175.4-61.20000111.8L4 L32 T51 Y56 I69L4-V54 HydrophobicContact CD1-CG1 3.85Å; L32-V54 HydrophobicContact CD2-CG2 3.89Å; T51-V54 PolarHBondContact N-O 3.49Å; T51-V54 PolarHBondContact OG1-N 3.03Å; T51-V54 PolarHBondContact OG1-O 2.86Å; V54-Y56 HydrophobicContact CG2-CD2 4.37Å; V54-Y56 HydrophobicContact CG2-CE1 4.25Å; V54-Y56 HydrophobicContact CG2-CE2 3.73Å; V54-I69 HydrophobicContact CB-CG2 3.89Å; V54-I69 HydrophobicContact CG1-CG2 4.01Å; V54-I69 HydrophobicContact CG2-CG2 4.05Å
55R93.3Very high88.3Confident24 Ų2464.6 Ų64.69%0.09132%0.32CS..EExtended strand (participates in β ladder)trans-100.6132.6166.3178.9-174-62.3143.10.5108.4F48 E50 V57 T70 K72 S74F48-R55 HydrophobicContact CB-CG 4.34Å; F48-R55 HydrophobicContact CD2-CG 4.22Å; E50-R55 HydrophobicContact CG-CB 4.08Å; E50-R55 HydrophobicContact CG-CG 3.86Å; E50-R55 IonicContact OE1-CZ 3.73Å; E50-R55 IonicContact OE1-NE 3.69Å; E50-R55 PolarHBondContact OE1-NE 3.19Å; E50-R55 IonicContact OE1-NH2 3.22Å; E50-R55 PolarHBondContact OE1-NH2 3.05Å; R55-V57 HydrophobicContact CG-CG2 4.14Å; R55-T70 PolarHBondContact N-O 2.88Å; R55-T70 PolarHBondContact O-N 3.25Å; R55-K72 PolarHBondContact NH2-O 2.93Å; R55-S74 PolarHBondContact NH1-O 3.46Å
56Y94.3Very high89.6Confident3 Ų355.2 Ų55.21%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-98.7122.5170.1-63.7-78.9000108.1L32 F36 L39 F48 V49 T51 V54 L67 L68 I69L32-Y56 WeakPolarHBondContact CA-OH 3.38Å; L32-Y56 HydrophobicContact CB-CE1 4.28Å; L32-Y56 WeakPolarHBondContact CB-OH 3.36Å; L32-Y56 WeakPolarHBondContact CD2-OH 3.34Å; L32-Y56 PolarHBondContact O-OH 3.4Å; F36-Y56 HydrophobicContact CB-CD1 4.42Å; F36-Y56 HydrophobicContact CB-CE1 4.34Å; F36-Y56 HydrophobicContact CD2-CD1 4.12Å; F36-Y56 AromaticContact CD2-CG 4Å; F36-Y56 HydrophobicContact CD2-CG 4Å; L39-Y56 HydrophobicContact CD1-CD2 3.88Å; L39-Y56 HydrophobicContact CD1-CE2 3.57Å; F48-Y56 CarbonylContact C-O 3.2Å; F48-Y56 WeakPolarHBondContact CA-O 3.44Å; F48-Y56 VanDerWaalsContact CB-O 3.25Å; F48-Y56 WeakPolarHBondContact CB-O 3.39Å; V49-Y56 PolarHBondContact N-O 3.3Å; V49-Y56 PolarHBondContact O-N 2.94Å; T51-Y56 HydrophobicContact CG2-CD2 4.26Å; T51-Y56 HydrophobicContact CG2-CE2 3.7Å; V54-Y56 HydrophobicContact CG2-CD2 4.37Å; V54-Y56 HydrophobicContact CG2-CE1 4.25Å; V54-Y56 HydrophobicContact CG2-CE2 3.73Å; Y56-L67 HydrophobicContact CD1-CD1 3.8Å; Y56-L67 HydrophobicContact CD1-CD2 4Å; Y56-L67 HydrophobicContact CD1-CG 4.21Å; Y56-L67 HydrophobicContact CE1-CD2 4.37Å; Y56-L67 HydrophobicContact CG-CD1 4.28Å; Y56-L68 CarbonylContact C-O 3.52Å; Y56-L68 WeakPolarHBondContact CA-O 3.48Å; Y56-I69 HydrophobicContact CD1-CD1 4.5Å; Y56-I69 HydrophobicContact CD1-CG1 3.91Å; Y56-I69 HydrophobicContact CE1-CD1 4.05Å; Y56-I69 HydrophobicContact CE1-CG1 3.93Å
57V94.2Very high90.6Very high0 Ų050.4 Ų50.40%025%0.254CS..EExtended strand (participates in β ladder)trans-111.2125.3171.7-166.70000106.3F48 R55 L68 T70 I76 D79 L80 L83F48-V57 HydrophobicContact CB-CG2 4.28Å; R55-V57 HydrophobicContact CG-CG2 4.14Å; V57-L68 HydrophobicContact CB-CB 4.31Å; V57-L68 PolarHBondContact N-O 3.14Å; V57-L68 PolarHBondContact O-N 3.47Å; V57-T70 HydrophobicContact CG2-CG2 4.5Å; V57-I76 HydrophobicContact CG1-CD1 4.05Å; V57-I76 HydrophobicContact CG2-CD1 3.58Å; V57-D79 HydrophobicContact CG2-CB 4.07Å; V57-L80 HydrophobicContact CG1-CD2 3.44Å; V57-L80 VanDerWaalsContact CG1-CD2 3.44Å; V57-L80 HydrophobicContact CG1-CG 3.97Å; V57-L83 HydrophobicContact CG1-CD2 3.85Å
58Y93.9Very high91.2Very high25 Ų2546.9 Ų46.910%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-145151.8-168.273.6-79.8000113.3F36 L40 H46 T47 V49 Y65 V66 L83F36-Y58 AromaticContact CE2-CD1 3.67Å; F36-Y58 HydrophobicContact CE2-CD1 3.67Å; F36-Y58 HydrophobicContact CE2-CD2 4.19Å; F36-Y58 HydrophobicContact CE2-CE1 4.26Å; F36-Y58 AromaticContact CE2-CG 3.64Å; F36-Y58 HydrophobicContact CE2-CG 3.64Å; F36-Y58 AromaticContact CZ-CD1 3.91Å; F36-Y58 HydrophobicContact CZ-CD1 3.91Å; F36-Y58 AromaticContact CZ-CD2 3.56Å; F36-Y58 HydrophobicContact CZ-CD2 3.56Å; F36-Y58 HydrophobicContact CZ-CE2 4.16Å; F36-Y58 AromaticContact CZ-CG 3.4Å; F36-Y58 HydrophobicContact CZ-CG 3.4Å; L40-Y58 HydrophobicContact CD1-CE2 4.47Å; L40-Y58 HydrophobicContact CD2-CD1 4.46Å; L40-Y58 HydrophobicContact CD2-CD2 4.35Å; L40-Y58 HydrophobicContact CD2-CE1 3.77Å; L40-Y58 HydrophobicContact CD2-CE2 3.59Å; L40-Y58 VanDerWaalsContact CD2-OH 3.29Å; L40-Y58 WeakPolarHBondContact CD2-OH 3.47Å; H46-Y58 WeakPolarHBondContact O-CE1 3.38Å; H46-Y58 PolarHBondContact O-OH 3.04Å; T47-Y58 PolarHBondContact O-N 3.02Å; V49-Y58 HydrophobicContact CG2-CE1 3.97Å; Y58-Y65 HydrophobicContact CD2-CD1 4.01Å; Y58-Y65 HydrophobicContact CD2-CE1 4.17Å; Y58-Y65 HydrophobicContact CE2-CE1 4.28Å; Y58-V66 CarbonylContact C-O 3.52Å; Y58-V66 WeakPolarHBondContact CA-O 3.47Å; Y58-V66 WeakPolarHBondContact CB-O 3.44Å; Y58-L83 VanDerWaalsContact C-CD2 3.42Å
59Q91.4Very high91.4Very high70 Ų7043.4 Ų43.433%0.32722%0.217SC..EExtended strand (participates in β ladder)trans-137129.5176.7-179.3171.7-10.800108.8L61 V66 L83Q59-L61 PolarHBondContact O-N 3.38Å; Q59-V66 PolarHBondContact N-O 3.35Å; Q59-V66 PolarHBondContact O-N 3.07Å; Q59-L83 HydrophobicContact CB-CD1 4.41Å; Q59-L83 HydrophobicContact CB-CD2 3.82Å; Q59-L83 HydrophobicContact CB-CG 4.08Å
60P90.5Very high91.6Very high76 Ų7642.1 Ų42.149%0.49421%0.209SC..EExtended strand (participates in β ladder)trans-61.6131.6169-1526.4000110.5Y65P60-Y65 HydrophobicContact CB-CD1 4.36Å; P60-Y65 HydrophobicContact CB-CE1 4.1Å; P60-Y65 HydrophobicContact CG-CD1 4.45Å; P60-Y65 HydrophobicContact CG-CE1 4.01Å
61L88.3Confident91.7Very high22 Ų2239.9 Ų39.912%0.11520%0.202CC..EExtended strand (participates in β ladder)trans-123.286170.8-174.268.5000107.1Q59 K63 L64 V66 I90 P91 T97Q59-L61 PolarHBondContact O-N 3.38Å; L61-K63 PolarHBondContact O-N 3Å; L61-K63 VanDerWaalsContact O-N 3.08Å; L61-L64 CarbonylContact C-O 3.56Å; L61-L64 PolarHBondContact N-O 2.97Å; L61-L64 WeakPolarHBondContact O-CA 3.32Å; L61-L64 WeakPolarHBondContact O-CB 3.29Å; L61-L64 PolarHBondContact O-N 3.13Å; L61-V66 HydrophobicContact CB-CG2 3.89Å; L61-V66 HydrophobicContact CD2-CG2 3.89Å; L61-I90 HydrophobicContact CD2-CB 4.02Å; L61-I90 HydrophobicContact CD2-CD1 4.3Å; L61-I90 HydrophobicContact CD2-CG2 3.68Å; L61-P91 HydrophobicContact CD1-CG 4.22Å; L61-P91 HydrophobicContact CD2-CG 4.48Å; L61-T97 HydrophobicContact CD1-CG2 4.3Å; L61-T97 HydrophobicContact CD2-CG2 4.36Å; L61-T97 HydrophobicContact CG-CG2 4.11Å
62E86Confident91.7Very high117 Ų11742.4 Ų42.455%0.54721%0.21SC..THydrogen-bonded Turntrans52.9-108-172.1-60.7-177.4-146.200113.9R11 L64 T97R11-E62 PolarHBondContact NH2-O 3.48Å; E62-L64 VanDerWaalsContact C-N 3.35Å; E62-T97 WeakPolarHBondContact OE1-CB 3.42Å; E62-T97 WeakPolarHBondContact OE1-CG2 3.46Å; E62-T97 PolarHBondContact OE1-OG1 3.06Å; E62-T97 PolarHBondContact OE2-OG1 3.06Å
63K87.7Confident91.8Very high124 Ų12437.9 Ų37.954%0.53920%0.204SC..THydrogen-bonded Turntrans-88.7-1.8178.5-61.5176.6-162.7147.60112.9R11 L61 D98R11-K63 WeakPolarHBondContact CG-O 3.35Å; L61-K63 PolarHBondContact O-N 3Å; L61-K63 VanDerWaalsContact O-N 3.08Å; K63-D98 IonicContact NZ-OD1 2.77Å; K63-D98 PolarHBondContact NZ-OD1 3.47Å
64L91.9Very high92.1Very high1 Ų134.7 Ų34.71%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-114.2166-178.3-53.6-178.5000110.9V8 C9 T10 L16 L61 E62 T97 E99 V102V8-L64 HydrophobicContact CG1-CB 4.25Å; V8-L64 HydrophobicContact CG1-CD1 3.94Å; C9-L64 CarbonylContact O-C 3.56Å; C9-L64 WeakPolarHBondContact O-CA 3.47Å; T10-L64 HydrophobicContact CG2-CD2 4.38Å; L16-L64 HydrophobicContact CD1-CD1 3.98Å; L16-L64 HydrophobicContact CD1-CD2 3.65Å; L16-L64 HydrophobicContact CD1-CG 4.46Å; L61-L64 CarbonylContact C-O 3.56Å; L61-L64 PolarHBondContact N-O 2.97Å; L61-L64 WeakPolarHBondContact O-CA 3.32Å; L61-L64 WeakPolarHBondContact O-CB 3.29Å; L61-L64 PolarHBondContact O-N 3.13Å; E62-L64 VanDerWaalsContact C-N 3.35Å; L64-T97 VanDerWaalsContact CD1-O 3.25Å; L64-T97 WeakPolarHBondContact CD1-O 3.49Å; L64-E99 HydrophobicContact CD2-CG 3.86Å; L64-V102 HydrophobicContact CD1-CG2 3.77Å
65Y92.5Very high92Very high37 Ų3738.5 Ų38.515%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-117.1132.1166.4-73.5-67.8000109.5V8 C9 R11 F36 L40 Y58 P60V8-Y65 WeakPolarHBondContact CA-O 3.42Å; C9-Y65 PolarHBondContact N-O 2.88Å; C9-Y65 PolarHBondContact O-N 3.48Å; R11-Y65 HydrophobicContact CB-CE2 4.11Å; R11-Y65 HydrophobicContact CG-CD2 4.22Å; R11-Y65 HydrophobicContact CG-CE2 3.71Å; F36-Y65 HydrophobicContact CE1-CD1 4.44Å; F36-Y65 HydrophobicContact CE1-CD2 4.04Å; F36-Y65 AromaticContact CE1-CG 3.94Å; F36-Y65 HydrophobicContact CE1-CG 3.94Å; L40-Y65 HydrophobicContact CD1-CE1 4.28Å; L40-Y65 HydrophobicContact CD1-CE2 3.97Å; Y58-Y65 HydrophobicContact CD2-CD1 4.01Å; Y58-Y65 HydrophobicContact CD2-CE1 4.17Å; Y58-Y65 HydrophobicContact CE2-CE1 4.28Å; P60-Y65 HydrophobicContact CB-CD1 4.36Å; P60-Y65 HydrophobicContact CB-CE1 4.1Å; P60-Y65 HydrophobicContact CG-CD1 4.45Å; P60-Y65 HydrophobicContact CG-CE1 4.01Å
66V94Very high91.9Very high1 Ų139.3 Ų39.31%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-92.4126163.7-171.50000107Y58 Q59 L61 L83 F86 I90Y58-V66 CarbonylContact C-O 3.52Å; Y58-V66 WeakPolarHBondContact CA-O 3.47Å; Y58-V66 WeakPolarHBondContact CB-O 3.44Å; Q59-V66 PolarHBondContact N-O 3.35Å; Q59-V66 PolarHBondContact O-N 3.07Å; L61-V66 HydrophobicContact CB-CG2 3.89Å; L61-V66 HydrophobicContact CD2-CG2 3.89Å; V66-L83 HydrophobicContact CB-CD1 3.98Å; V66-L83 HydrophobicContact CG1-CD1 3.62Å; V66-F86 HydrophobicContact CG1-CB 4.02Å; V66-I90 HydrophobicContact CB-CD1 4.37Å; V66-I90 HydrophobicContact CG1-CD1 3.92Å; V66-I90 HydrophobicContact CG2-CD1 3.5Å; V66-I90 VanDerWaalsContact CG2-CD1 3.5Å
67L94.2Very high91.7Very high0 Ų045.2 Ų45.20%024%0.239CC..EExtended strand (participates in β ladder)trans-129.8122.5-169.8-176.867.9000110.3A6 S7 I33 F36 Y56 I69A6-L67 CarbonylContact C-O 3.52Å; A6-L67 WeakPolarHBondContact CA-O 3.25Å; S7-L67 PolarHBondContact N-O 3.12Å; S7-L67 PolarHBondContact O-N 3.19Å; I33-L67 HydrophobicContact CG1-CD2 4.39Å; F36-L67 HydrophobicContact CB-CD2 4.16Å; F36-L67 HydrophobicContact CD1-CD1 4.31Å; F36-L67 HydrophobicContact CD1-CD2 4.22Å; F36-L67 HydrophobicContact CD2-CD1 3.63Å; F36-L67 HydrophobicContact CD2-CD2 4.4Å; F36-L67 HydrophobicContact CE1-CD1 4.28Å; F36-L67 HydrophobicContact CE2-CD1 3.59Å; F36-L67 HydrophobicContact CG-CD1 4Å; F36-L67 HydrophobicContact CG-CD2 3.99Å; F36-L67 HydrophobicContact CZ-CD1 3.94Å; Y56-L67 HydrophobicContact CD1-CD1 3.8Å; Y56-L67 HydrophobicContact CD1-CD2 4Å; Y56-L67 HydrophobicContact CD1-CG 4.21Å; Y56-L67 HydrophobicContact CE1-CD2 4.37Å; Y56-L67 HydrophobicContact CG-CD1 4.28Å; L67-I69 HydrophobicContact CD2-CD1 4.44Å; L67-I69 HydrophobicContact CD2-CG1 4.25Å; L67-I69 HydrophobicContact CG-CG1 4.28Å
68L95.6Very high91.6Very high0 Ų047.6 Ų47.60%025%0.25CC..EExtended strand (participates in β ladder)trans-101.7132163.9-59.6-175.5000109.3L3 A6 Y56 V57 T70 D79 T82 L83 F86L3-L68 HydrophobicContact CD2-CB 3.77Å; L3-L68 HydrophobicContact CD2-CD1 3.76Å; L3-L68 HydrophobicContact CD2-CD2 4.22Å; L3-L68 HydrophobicContact CD2-CG 4.12Å; A6-L68 HydrophobicContact CB-CD2 3.47Å; A6-L68 VanDerWaalsContact CB-CD2 3.47Å; Y56-L68 CarbonylContact C-O 3.52Å; Y56-L68 WeakPolarHBondContact CA-O 3.48Å; V57-L68 HydrophobicContact CB-CB 4.31Å; V57-L68 PolarHBondContact N-O 3.14Å; V57-L68 PolarHBondContact O-N 3.47Å; L68-T70 HydrophobicContact CB-CG2 4.48Å; L68-D79 WeakPolarHBondContact CD1-O 3.49Å; L68-T82 HydrophobicContact CD1-CG2 4.15Å; L68-L83 HydrophobicContact CD1-CB 3.72Å; L68-L83 HydrophobicContact CD1-CD1 4.43Å; L68-L83 HydrophobicContact CG-CB 4.22Å; L68-L83 HydrophobicContact CG-CD1 3.99Å; L68-F86 HydrophobicContact CD2-CD2 4.38Å; L68-F86 HydrophobicContact CD2-CE2 4.42Å
69I95.1Very high91.6Very high1 Ų146.4 Ų46.41%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-105116.4173.6-55.9177.5000107L4 A5 I29 L32 I33 V54 Y56 L67L4-I69 WeakPolarHBondContact CA-O 3.43Å; L4-I69 HydrophobicContact CB-CG2 4.41Å; L4-I69 VanDerWaalsContact CB-O 3.26Å; L4-I69 WeakPolarHBondContact CB-O 3.44Å; L4-I69 HydrophobicContact CD1-CG2 4.2Å; L4-I69 PolarHBondContact N-O 3.41Å; A5-I69 PolarHBondContact N-O 3.07Å; A5-I69 PolarHBondContact O-N 2.81Å; I29-I69 HydrophobicContact CD1-CD1 3.54Å; L32-I69 HydrophobicContact CB-CD1 3.99Å; L32-I69 HydrophobicContact CD1-CD1 4.31Å; L32-I69 HydrophobicContact CD1-CG2 4.3Å; I33-I69 HydrophobicContact CG1-CD1 4.35Å; V54-I69 HydrophobicContact CB-CG2 3.89Å; V54-I69 HydrophobicContact CG1-CG2 4.01Å; V54-I69 HydrophobicContact CG2-CG2 4.05Å; Y56-I69 HydrophobicContact CD1-CD1 4.5Å; Y56-I69 HydrophobicContact CD1-CG1 3.91Å; Y56-I69 HydrophobicContact CE1-CD1 4.05Å; Y56-I69 HydrophobicContact CE1-CG1 3.93Å; L67-I69 HydrophobicContact CD2-CD1 4.44Å; L67-I69 HydrophobicContact CD2-CG1 4.25Å; L67-I69 HydrophobicContact CG-CG1 4.28Å
70T94.6Very high91.6Very high0 Ų044.4 Ų44.40%024%0.237CC..EExtended strand (participates in β ladder)trans-123.8163.9-175.9660000111.3L3 R55 V57 L68 D79L3-T70 HydrophobicContact CD2-CG2 3.21Å; L3-T70 HydrophobicContact CG-CG2 3.78Å; R55-T70 PolarHBondContact N-O 2.88Å; R55-T70 PolarHBondContact O-N 3.25Å; V57-T70 HydrophobicContact CG2-CG2 4.5Å; L68-T70 HydrophobicContact CB-CG2 4.48Å; T70-D79 HydrophobicContact CG2-CB 4.28Å; T70-D79 WeakPolarHBondContact CG2-OD2 3.38Å; T70-D79 PolarHBondContact OG1-OD2 3.46Å
71T92.7Very high91.7Very high42 Ų4245.4 Ų45.426%0.25824%0.235SC..  trans-76.3151.2165.960.50000110V2 L4 A73 S74V2-T71 PolarHBondContact O-N 3.29Å; L4-T71 HydrophobicContact CD1-CG2 4.22Å; L4-T71 HydrophobicContact CD2-CG2 3.94Å; L4-T71 HydrophobicContact CG-CG2 4.19Å; T71-A73 PolarHBondContact O-N 3.32Å; T71-A73 VanDerWaalsContact O-N 3.11Å; T71-S74 VanDerWaalsContact O-CB 3.31Å; T71-S74 WeakPolarHBondContact O-CB 3.28Å; T71-S74 PolarHBondContact O-N 2.99Å
72K90.2Very high92Very high88 Ų8844.3 Ų44.338%0.38323%0.229SC..THydrogen-bonded Turntrans-58.7-25.1176.8-69.2179.5171173.90114T51 E52 R55 S74T51-K72 WeakPolarHBondContact O-CE 3.35Å; T51-K72 PolarHBondContact O-NZ 3.45Å; E52-K72 WeakPolarHBondContact O-CE 3.4Å; E52-K72 PolarHBondContact O-NZ 3.24Å; R55-K72 PolarHBondContact NH2-O 2.93Å; K72-S74 VanDerWaalsContact C-N 3.28Å
73A90Very high92.3Very high89 Ų8938.9 Ų38.974%0.73620%0.204SC*.THydrogen-bonded Turntrans-82.2-1.2177.100000113.5T71T71-A73 PolarHBondContact O-N 3.32Å; T71-A73 VanDerWaalsContact O-N 3.11Å
74S90.6Very high92.6Very high8 Ų839.6 Ų39.66%0.05620%0.203CC..SBendtrans-72.7149.7174.3-156.70000111.3R55 T71 K72 I76 D79R55-S74 PolarHBondContact NH1-O 3.46Å; T71-S74 VanDerWaalsContact O-CB 3.31Å; T71-S74 WeakPolarHBondContact O-CB 3.28Å; T71-S74 PolarHBondContact O-N 2.99Å; K72-S74 VanDerWaalsContact C-N 3.28Å; S74-I76 PolarHBondContact O-N 3.32Å; S74-D79 VanDerWaalsContact CB-OD2 3.28Å; S74-D79 WeakPolarHBondContact CB-OD2 3.34Å; S74-D79 PolarHBondContact OG-OD1 3.08Å; S74-D79 PolarHBondContact OG-OD2 2.77Å
75N90.7Very high92.6Very high80 Ų8040.4 Ų40.443%0.42821%0.207SC..  trans-74.4106.7176.4-179.1-2000109.4L77 E78 D79N75-L77 VanDerWaalsContact C-N 3.25Å; N75-L77 PolarHBondContact O-N 3.1Å; N75-L77 PolarHBondContact OD1-N 2.96Å; N75-E78 HydrophobicContact CB-CB 4.11Å; N75-E78 PolarHBondContact O-N 2.94Å; N75-E78 VanDerWaalsContact O-N 3.15Å; N75-D79 VanDerWaalsContact O-CG 3.24Å; N75-D79 PolarHBondContact O-N 3.04Å
76I91.3Very high92.7Very high42 Ų4238.7 Ų38.722%0.21520%0.201CC..Hα-helixtrans-61.1-31.9-175.6-173.353.1000113.4F48 V57 S74 E78 D79 L80F48-I76 HydrophobicContact CB-CD1 4.16Å; F48-I76 HydrophobicContact CD1-CD1 4.27Å; F48-I76 HydrophobicContact CD1-CG1 4.27Å; F48-I76 HydrophobicContact CG-CD1 4.2Å; V57-I76 HydrophobicContact CG1-CD1 4.05Å; V57-I76 HydrophobicContact CG2-CD1 3.58Å; S74-I76 PolarHBondContact O-N 3.32Å; I76-E78 VanDerWaalsContact C-N 3.31Å; I76-E78 PolarHBondContact O-N 3.04Å; I76-D79 HydrophobicContact CD1-CB 4.41Å; I76-D79 PolarHBondContact O-N 3.12Å; I76-L80 HydrophobicContact CD1-CD1 4.45Å; I76-L80 HydrophobicContact CD1-CG 4.16Å; I76-L80 HydrophobicContact CG1-CD1 4.15Å; I76-L80 HydrophobicContact CG1-CG 4.36Å; I76-L80 WeakPolarHBondContact O-CB 3.26Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.36Å; I76-L80 PolarHBondContact O-N 3.13Å
77L91Very high92.6Very high126 Ų12639.1 Ų39.166%0.6620%0.204SC*.Hα-helixtrans-66.7-40.1179.7-65.4176.6000110.8N75 L80 E81N75-L77 VanDerWaalsContact C-N 3.25Å; N75-L77 PolarHBondContact O-N 3.1Å; N75-L77 PolarHBondContact OD1-N 2.96Å; L77-L80 PolarHBondContact O-N 3.21Å; L77-E81 PolarHBondContact O-N 2.88Å; L77-E81 VanDerWaalsContact O-N 3.07Å
78E91.6Very high92.5Very high50 Ų5047.1 Ų47.123%0.23423%0.234CC..Hα-helixtrans-73.9-39177.6-171.7168.8-167.400112M1 N75 I76 L80 E81 T82M1-E78 HydrophobicContact CE-CG 3.94Å; M1-E78 WeakPolarHBondContact CE-OE1 3.33Å; M1-E78 WeakPolarHBondContact CE-OE2 2.98Å; N75-E78 HydrophobicContact CB-CB 4.11Å; N75-E78 PolarHBondContact O-N 2.94Å; N75-E78 VanDerWaalsContact O-N 3.15Å; I76-E78 VanDerWaalsContact C-N 3.31Å; I76-E78 PolarHBondContact O-N 3.04Å; E78-L80 VanDerWaalsContact C-N 3.31Å; E78-L80 PolarHBondContact O-N 3.41Å; E78-E81 PolarHBondContact O-N 3.31Å; E78-T82 WeakPolarHBondContact O-CB 3.48Å; E78-T82 PolarHBondContact O-N 3.5Å; E78-T82 PolarHBondContact O-OG1 2.84Å
79D93.4Very high92.4Very high0 Ų047.1 Ų47.10%023%0.234CC..Hα-helixtrans-59.6-42.1172.5-61.7-22.2000110.7V57 L68 T70 S74 N75 I76 T82 L83V57-D79 HydrophobicContact CG2-CB 4.07Å; L68-D79 WeakPolarHBondContact CD1-O 3.49Å; T70-D79 HydrophobicContact CG2-CB 4.28Å; T70-D79 WeakPolarHBondContact CG2-OD2 3.38Å; T70-D79 PolarHBondContact OG1-OD2 3.46Å; S74-D79 VanDerWaalsContact CB-OD2 3.28Å; S74-D79 WeakPolarHBondContact CB-OD2 3.34Å; S74-D79 PolarHBondContact OG-OD1 3.08Å; S74-D79 PolarHBondContact OG-OD2 2.77Å; N75-D79 VanDerWaalsContact O-CG 3.24Å; N75-D79 PolarHBondContact O-N 3.04Å; I76-D79 HydrophobicContact CD1-CB 4.41Å; I76-D79 PolarHBondContact O-N 3.12Å; D79-T82 PolarHBondContact O-N 3.49Å; D79-L83 WeakPolarHBondContact O-CB 3.35Å; D79-L83 PolarHBondContact O-N 2.96Å
80L92.8Very high92.2Very high28 Ų2847 Ų4715%0.14723%0.234CC..Hα-helixtrans-67.3-39.6177.6-77.1170.1000112.6V57 I76 L77 E78 L83 R84V57-L80 HydrophobicContact CG1-CD2 3.44Å; V57-L80 VanDerWaalsContact CG1-CD2 3.44Å; V57-L80 HydrophobicContact CG1-CG 3.97Å; I76-L80 HydrophobicContact CD1-CD1 4.45Å; I76-L80 HydrophobicContact CD1-CG 4.16Å; I76-L80 HydrophobicContact CG1-CD1 4.15Å; I76-L80 HydrophobicContact CG1-CG 4.36Å; I76-L80 WeakPolarHBondContact O-CB 3.26Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.36Å; I76-L80 PolarHBondContact O-N 3.13Å; L77-L80 PolarHBondContact O-N 3.21Å; E78-L80 VanDerWaalsContact C-N 3.31Å; E78-L80 PolarHBondContact O-N 3.41Å; L80-L83 PolarHBondContact O-N 3.44Å; L80-R84 WeakPolarHBondContact O-CG 3.34Å; L80-R84 PolarHBondContact O-N 3.33Å; L80-R84 VanDerWaalsContact O-N 3.1Å
81E91.9Very high92Very high97 Ų9749.2 Ų49.245%0.45325%0.248SC..Hα-helixtrans-66.5-41.5175.4-164.5-17316100111.4L77 E78 L83 R84 L85 R122L77-E81 PolarHBondContact O-N 2.88Å; L77-E81 VanDerWaalsContact O-N 3.07Å; E78-E81 PolarHBondContact O-N 3.31Å; E81-L83 PolarHBondContact O-N 3.01Å; E81-R84 WeakPolarHBondContact O-CB 3.44Å; E81-R84 PolarHBondContact O-N 3.37Å; E81-L85 PolarHBondContact O-N 3.47Å; E81-L85 VanDerWaalsContact O-N 3.16Å; E81-R122 IonicContact OE1-CZ 3.92Å; E81-R122 IonicContact OE1-NH1 2.81Å; E81-R122 IonicContact OE1-NH2 3.84Å; E81-R122 PolarHBondContact OE1-NH2 2.98Å; E81-R122 IonicContact OE2-CZ 2.94Å; E81-R122 IonicContact OE2-NH1 2.96Å; E81-R122 PolarHBondContact OE2-NH1 3.09Å; E81-R122 IonicContact OE2-NH2 3.69Å
82T93.4Very high91.8Very high0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-58.9-48172.8-53.20000110.5L3 L68 E78 D79 R84 L85 F86 I116 I117 R122L3-T82 HydrophobicContact CD1-CG2 4.1Å; L68-T82 HydrophobicContact CD1-CG2 4.15Å; E78-T82 WeakPolarHBondContact O-CB 3.48Å; E78-T82 PolarHBondContact O-N 3.5Å; E78-T82 PolarHBondContact O-OG1 2.84Å; D79-T82 PolarHBondContact O-N 3.49Å; T82-R84 VanDerWaalsContact C-N 3.28Å; T82-R84 PolarHBondContact O-N 3.44Å; T82-L85 WeakPolarHBondContact O-CA 3.44Å; T82-L85 WeakPolarHBondContact O-CB 3.42Å; T82-L85 PolarHBondContact O-N 3.43Å; T82-F86 HydrophobicContact CG2-CD2 3.87Å; T82-F86 HydrophobicContact CG2-CE2 3.68Å; T82-F86 WeakPolarHBondContact O-CD2 3.29Å; T82-F86 PolarHBondContact O-N 2.73Å; T82-I116 HydrophobicContact CG2-CG2 4.04Å; T82-I117 HydrophobicContact CG2-CD1 3.98Å; T82-I117 HydrophobicContact CG2-CG1 4.17Å; T82-R122 VanDerWaalsContact OG1-CD 3.29Å; T82-R122 WeakPolarHBondContact OG1-CD 3.45Å
83L94.3Very high91.8Very high3 Ų346.7 Ų46.72%0.01623%0.234CC..Hα-helixtrans-57.5-40.3178.2176.867.7000112.5V57 Y58 Q59 V66 L68 D79 L80 E81 L85 F86 A87V57-L83 HydrophobicContact CG1-CD2 3.85Å; Y58-L83 VanDerWaalsContact C-CD2 3.42Å; Q59-L83 HydrophobicContact CB-CD1 4.41Å; Q59-L83 HydrophobicContact CB-CD2 3.82Å; Q59-L83 HydrophobicContact CB-CG 4.08Å; V66-L83 HydrophobicContact CB-CD1 3.98Å; V66-L83 HydrophobicContact CG1-CD1 3.62Å; L68-L83 HydrophobicContact CD1-CB 3.72Å; L68-L83 HydrophobicContact CD1-CD1 4.43Å; L68-L83 HydrophobicContact CG-CB 4.22Å; L68-L83 HydrophobicContact CG-CD1 3.99Å; D79-L83 WeakPolarHBondContact O-CB 3.35Å; D79-L83 PolarHBondContact O-N 2.96Å; L80-L83 PolarHBondContact O-N 3.44Å; E81-L83 PolarHBondContact O-N 3.01Å; L83-L85 VanDerWaalsContact C-N 3.3Å; L83-L85 PolarHBondContact O-N 3.04Å; L83-F86 WeakPolarHBondContact O-CB 3.49Å; L83-F86 PolarHBondContact O-N 3.09Å; L83-A87 WeakPolarHBondContact O-CB 3.46Å; L83-A87 PolarHBondContact O-N 3.46Å
84R93.1Very high91.6Very high139 Ų13942.5 Ų42.553%0.52520%0.199SC..Hα-helixtrans-63.7-36.6175.7-70.8172.2-172.4145.7-0.5112L80 E81 T82 A87 R88L80-R84 WeakPolarHBondContact O-CG 3.34Å; L80-R84 PolarHBondContact O-N 3.33Å; L80-R84 VanDerWaalsContact O-N 3.1Å; E81-R84 WeakPolarHBondContact O-CB 3.44Å; E81-R84 PolarHBondContact O-N 3.37Å; T82-R84 VanDerWaalsContact C-N 3.28Å; T82-R84 PolarHBondContact O-N 3.44Å; R84-A87 PolarHBondContact O-N 2.69Å; R84-R88 WeakPolarHBondContact O-CG 3.4Å; R84-R88 PolarHBondContact O-N 2.98Å
85L92.8Very high91Very high17 Ų1747.3 Ų47.39%0.08923%0.232CC..Hα-helixtrans-65.7-46.1174.8-177.257.3000110.9E81 T82 L83 A87 R88 V89 I116 V125 I130E81-L85 PolarHBondContact O-N 3.47Å; E81-L85 VanDerWaalsContact O-N 3.16Å; T82-L85 WeakPolarHBondContact O-CA 3.44Å; T82-L85 WeakPolarHBondContact O-CB 3.42Å; T82-L85 PolarHBondContact O-N 3.43Å; L83-L85 VanDerWaalsContact C-N 3.3Å; L83-L85 PolarHBondContact O-N 3.04Å; L85-A87 VanDerWaalsContact C-N 3.33Å; L85-A87 PolarHBondContact O-N 3.41Å; L85-R88 PolarHBondContact O-N 3.26Å; L85-R88 VanDerWaalsContact O-N 3.09Å; L85-V89 HydrophobicContact CD1-CG2 4.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.4Å; L85-V89 PolarHBondContact O-N 3.16Å; L85-I116 HydrophobicContact CD2-CG1 4.16Å; L85-I116 HydrophobicContact CD2-CG2 3.8Å; L85-I116 HydrophobicContact CG-CD1 4.32Å; L85-I116 HydrophobicContact CG-CG1 4.4Å; L85-I116 HydrophobicContact CG-CG2 4.43Å; L85-V125 HydrophobicContact CD2-CG2 4.44Å; L85-V125 WeakPolarHBondContact CD2-O 3.46Å; L85-I130 HydrophobicContact CD1-CD1 4.09Å; L85-I130 HydrophobicContact CD2-CD1 4.15Å; L85-I130 HydrophobicContact CG-CD1 4.25Å
86F93.8Very high90.4Very high1 Ų144.4 Ų44.40%0.00422%0.221CC..Hα-helixtrans-55.6-45.8173-86.6-103000112.2A6 F21 V66 L68 T82 L83 R88 V89 I90 F113 I116 I117A6-F86 HydrophobicContact CB-CD1 3.94Å; A6-F86 HydrophobicContact CB-CE1 3.27Å; A6-F86 HydrophobicContact CB-CZ 3.68Å; F21-F86 HydrophobicContact CZ-CZ 4.22Å; V66-F86 HydrophobicContact CG1-CB 4.02Å; L68-F86 HydrophobicContact CD2-CD2 4.38Å; L68-F86 HydrophobicContact CD2-CE2 4.42Å; T82-F86 HydrophobicContact CG2-CD2 3.87Å; T82-F86 HydrophobicContact CG2-CE2 3.68Å; T82-F86 WeakPolarHBondContact O-CD2 3.29Å; T82-F86 PolarHBondContact O-N 2.73Å; L83-F86 WeakPolarHBondContact O-CB 3.49Å; L83-F86 PolarHBondContact O-N 3.09Å; F86-R88 PolarHBondContact O-N 3.37Å; F86-V89 PolarHBondContact O-N 3.42Å; F86-I90 WeakPolarHBondContact O-CD1 3.12Å; F86-I90 WeakPolarHBondContact O-CG1 3.3Å; F86-I90 PolarHBondContact O-N 3.35Å; F86-F113 AromaticContact CD1-CD1 3.46Å; F86-F113 HydrophobicContact CD1-CD1 3.46Å; F86-F113 VanDerWaalsContact CD1-CD1 3.46Å; F86-F113 HydrophobicContact CD1-CD2 4.3Å; F86-F113 AromaticContact CD1-CE1 3.34Å; F86-F113 HydrophobicContact CD1-CE1 3.34Å; F86-F113 HydrophobicContact CD1-CE2 4.2Å; F86-F113 AromaticContact CD1-CG 3.97Å; F86-F113 HydrophobicContact CD1-CG 3.97Å; F86-F113 AromaticContact CD1-CZ 3.73Å; F86-F113 HydrophobicContact CD1-CZ 3.73Å; F86-F113 HydrophobicContact CE1-CB 3.77Å; F86-F113 AromaticContact CE1-CD1 3.21Å; F86-F113 HydrophobicContact CE1-CD1 3.21Å; F86-F113 AromaticContact CE1-CD2 3.71Å; F86-F113 HydrophobicContact CE1-CD2 3.71Å; F86-F113 AromaticContact CE1-CE1 3.61Å; F86-F113 HydrophobicContact CE1-CE1 3.61Å; F86-F113 HydrophobicContact CE1-CE2 4.04Å; F86-F113 AromaticContact CE1-CG 3.28Å; F86-F113 HydrophobicContact CE1-CG 3.28Å; F86-F113 AromaticContact CE1-CZ 4Å; F86-F113 HydrophobicContact CE1-CZ 4Å; F86-F113 HydrophobicContact CG-CE1 4.39Å; F86-F113 HydrophobicContact CZ-CB 4.12Å; F86-F113 HydrophobicContact CZ-CD1 4.13Å; F86-F113 HydrophobicContact CZ-CG 4.11Å; F86-I116 HydrophobicContact CD2-CD1 3.99Å; F86-I116 HydrophobicContact CD2-CG2 4.06Å; F86-I116 HydrophobicContact CE1-CD1 4.49Å; F86-I116 HydrophobicContact CE2-CB 3.91Å; F86-I116 HydrophobicContact CE2-CD1 3.9Å; F86-I116 HydrophobicContact CE2-CG2 3.49Å; F86-I116 VanDerWaalsContact CE2-CG2 3.49Å; F86-I116 HydrophobicContact CG-CD1 4.33Å; F86-I116 HydrophobicContact CZ-CB 4.26Å; F86-I116 HydrophobicContact CZ-CD1 4.15Å; F86-I116 HydrophobicContact CZ-CG2 4.31Å; F86-I117 HydrophobicContact CE2-CD1 3.53Å; F86-I117 HydrophobicContact CE2-CG1 3.95Å; F86-I117 HydrophobicContact CZ-CD1 3.58Å; F86-I117 HydrophobicContact CZ-CG1 4.1Å
87A92.2Very high89.8Confident10 Ų1043.3 Ų43.38%0.08322%0.216CC..Hα-helixtrans-64.2-23179.300000113.8L83 R84 L85 P91L83-A87 WeakPolarHBondContact O-CB 3.46Å; L83-A87 PolarHBondContact O-N 3.46Å; R84-A87 PolarHBondContact O-N 2.69Å; L85-A87 VanDerWaalsContact C-N 3.33Å; L85-A87 PolarHBondContact O-N 3.41Å; A87-P91 WeakPolarHBondContact O-CD 3.03Å
88R91.7Very high89.7Confident168 Ų16840.6 Ų40.663%0.63420%0.203SC*.Hα-helixtrans-85.6-36.3173.3-70.2175.8-176.5172.20.5112.8R84 L85 F86 L127R84-R88 WeakPolarHBondContact O-CG 3.4Å; R84-R88 PolarHBondContact O-N 2.98Å; L85-R88 PolarHBondContact O-N 3.26Å; L85-R88 VanDerWaalsContact O-N 3.09Å; F86-R88 PolarHBondContact O-N 3.37Å; R88-L127 HydrophobicContact CB-CD2 4.5Å
89V92.4Very high89.7Confident0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-67.7-37.5178.9168.30000111.3L85 F86 E92 Y93 A112 I116 L127 I130L85-V89 HydrophobicContact CD1-CG2 4.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.4Å; L85-V89 PolarHBondContact O-N 3.16Å; F86-V89 PolarHBondContact O-N 3.42Å; V89-E92 WeakPolarHBondContact O-CB 3.4Å; V89-E92 PolarHBondContact O-N 3.49Å; V89-Y93 HydrophobicContact CG1-CD2 3.65Å; V89-Y93 HydrophobicContact CG1-CE2 3.91Å; V89-Y93 WeakPolarHBondContact O-CD2 3.45Å; V89-Y93 PolarHBondContact O-N 3.42Å; V89-Y93 VanDerWaalsContact O-N 3.12Å; V89-A112 HydrophobicContact CG1-CB 3.58Å; V89-I116 HydrophobicContact CB-CD1 4.48Å; V89-I116 HydrophobicContact CG2-CD1 4Å; V89-L127 HydrophobicContact CB-CD1 4.39Å; V89-L127 HydrophobicContact CG2-CD1 3.48Å; V89-L127 VanDerWaalsContact CG2-CD1 3.48Å; V89-I130 HydrophobicContact CG2-CD1 4.01Å
90I92.4Very high89.5Confident0 Ų047.5 Ų47.50%024%0.239CC..Hα-helixtrans-59.9-54.8-175.8-68.8158.3000112.9V8 L61 V66 F86 E92 Y93 A94 V102 L109 F113V8-I90 HydrophobicContact CG2-CD1 3.52Å; V8-I90 HydrophobicContact CG2-CG1 4.27Å; L61-I90 HydrophobicContact CD2-CB 4.02Å; L61-I90 HydrophobicContact CD2-CD1 4.3Å; L61-I90 HydrophobicContact CD2-CG2 3.68Å; V66-I90 HydrophobicContact CB-CD1 4.37Å; V66-I90 HydrophobicContact CG1-CD1 3.92Å; V66-I90 HydrophobicContact CG2-CD1 3.5Å; V66-I90 VanDerWaalsContact CG2-CD1 3.5Å; F86-I90 WeakPolarHBondContact O-CD1 3.12Å; F86-I90 WeakPolarHBondContact O-CG1 3.3Å; F86-I90 PolarHBondContact O-N 3.35Å; I90-E92 PolarHBondContact O-N 2.87Å; I90-Y93 PolarHBondContact O-N 2.91Å; I90-A94 WeakPolarHBondContact O-CB 3.41Å; I90-A94 PolarHBondContact O-N 3.49Å; I90-V102 HydrophobicContact CG2-CG2 4.23Å; I90-L109 HydrophobicContact CB-CD2 4.35Å; I90-L109 HydrophobicContact CG1-CD2 4.11Å; I90-F113 HydrophobicContact CD1-CZ 4.27Å; I90-F113 HydrophobicContact CG1-CE1 4.12Å; I90-F113 HydrophobicContact CG1-CZ 4.01Å
91P90.2Very high89.4Confident46 Ų4648.8 Ų48.830%0.29925%0.245SC..Hα-helixtrans-62-28.1178.8-23.434.2000113.7L61 A87 C95 T97L61-P91 HydrophobicContact CD1-CG 4.22Å; L61-P91 HydrophobicContact CD2-CG 4.48Å; A87-P91 WeakPolarHBondContact O-CD 3.03Å; P91-C95 PolarHBondContact O-N 3Å; P91-T97 HydrophobicContact CB-CG2 4.35Å; P91-T97 HydrophobicContact CG-CG2 4.05Å
92E89.1Confident89.4Confident49 Ų4944.1 Ų44.123%0.22922%0.224CC..Hα-helixtrans-70.2-45.4-179.7179.7171.3125.700112.7V89 I90 L127 R131V89-E92 WeakPolarHBondContact O-CB 3.4Å; V89-E92 PolarHBondContact O-N 3.49Å; I90-E92 PolarHBondContact O-N 2.87Å; E92-L127 WeakPolarHBondContact OE1-CD1 3.31Å; E92-L127 WeakPolarHBondContact OE2-CD1 3.32Å; E92-L127 WeakPolarHBondContact OE2-CD2 3.49Å; E92-L127 WeakPolarHBondContact OE2-CG 2.82Å; E92-R131 VanDerWaalsContact CD-CZ 3.47Å; E92-R131 WeakPolarHBondContact OE1-CD 3.27Å; E92-R131 VanDerWaalsContact OE1-CG 3.22Å; E92-R131 WeakPolarHBondContact OE1-CG 3.17Å; E92-R131 IonicContact OE1-CZ 3.46Å; E92-R131 IonicContact OE1-NE 3.42Å; E92-R131 PolarHBondContact OE1-NE 3.46Å; E92-R131 IonicContact OE1-NH2 2.7Å; E92-R131 PolarHBondContact OE1-NH2 2.7Å; E92-R131 IonicContact OE2-CZ 3.7Å; E92-R131 IonicContact OE2-NE 3.42Å; E92-R131 PolarHBondContact OE2-NE 3.22Å; E92-R131 IonicContact OE2-NH2 3.41Å; E92-R131 PolarHBondContact OE2-NH2 3.42Å
93Y89.3Confident89.4Confident27 Ų2748 Ų4811%0.10624%0.244CC..Hα-helixtrans-89.3-29.8-178.5-76.7-89.8000113.5V89 I90 C95 H105 Q108 A112 I130 R131 T134V89-Y93 HydrophobicContact CG1-CD2 3.65Å; V89-Y93 HydrophobicContact CG1-CE2 3.91Å; V89-Y93 WeakPolarHBondContact O-CD2 3.45Å; V89-Y93 PolarHBondContact O-N 3.42Å; V89-Y93 VanDerWaalsContact O-N 3.12Å; I90-Y93 PolarHBondContact O-N 2.91Å; Y93-C95 VanDerWaalsContact C-N 3.3Å; Y93-H105 WeakPolarHBondContact O-CB 3.39Å; Y93-H105 VanDerWaalsContact O-CG 3.28Å; Y93-H105 PolarHBondContact O-ND1 3.09Å; Y93-Q108 HydrophobicContact CD1-CB 4.08Å; Y93-A112 HydrophobicContact CD2-CB 4.13Å; Y93-A112 HydrophobicContact CE2-CB 3.87Å; Y93-I130 HydrophobicContact CE2-CG2 4.37Å; Y93-I130 PolarHBondContact OH-O 3.49Å; Y93-R131 WeakPolarHBondContact OH-CA 3.5Å; Y93-T134 HydrophobicContact CE1-CG2 3.9Å; Y93-T134 PolarHBondContact OH-OG1 3.09Å
94A85.1Confident89.4Confident1 Ų152.9 Ų52.91%0.00827%0.274CS..Hα-helixtrans-80.5-12.9176.700000113I90 G96 D101 V102 H105I90-A94 WeakPolarHBondContact O-CB 3.41Å; I90-A94 PolarHBondContact O-N 3.49Å; A94-G96 PolarHBondContact O-N 3.37Å; A94-D101 HydrophobicContact CB-CB 4.29Å; A94-D101 WeakPolarHBondContact O-CB 3.4Å; A94-V102 HydrophobicContact CB-CG2 4.33Å; A94-H105 HydrophobicContact CB-CB 4.49Å; A94-H105 PolarHBondContact O-CD2 3.45Å
95C78.6Confident89.3Confident109 Ų10948.8 Ų48.874%0.73626%0.261SS*.SBendtrans55.129.2-172.2-59.10000113.5P91 Y93P91-C95 PolarHBondContact O-N 3Å; Y93-C95 VanDerWaalsContact C-N 3.3Å
96G78.1Confident89.3Confident20 Ų2048.9 Ų48.921%0.20626%0.264CS..SBendtrans166.3-176.2-17400000112.3A94A94-G96 PolarHBondContact O-N 3.37Å
97T79.5Confident89.3Confident19 Ų1956.3 Ų56.312%0.11730%0.297CS..SBendtrans-133.26.3-174.245.30000112.5L61 E62 L64 P91L61-T97 HydrophobicContact CD1-CG2 4.3Å; L61-T97 HydrophobicContact CD2-CG2 4.36Å; L61-T97 HydrophobicContact CG-CG2 4.11Å; E62-T97 WeakPolarHBondContact OE1-CB 3.42Å; E62-T97 WeakPolarHBondContact OE1-CG2 3.46Å; E62-T97 PolarHBondContact OE1-OG1 3.06Å; E62-T97 PolarHBondContact OE2-OG1 3.06Å; L64-T97 VanDerWaalsContact CD1-O 3.25Å; L64-T97 WeakPolarHBondContact CD1-O 3.49Å; P91-T97 HydrophobicContact CB-CG2 4.35Å; P91-T97 HydrophobicContact CG-CG2 4.05Å
98D87.8Confident89.3Confident69 Ų6960.1 Ų60.137%0.36931%0.313SS..SBendtrans-84162.5175-79.8-40.4000111.4K63 N100 D101 V102K63-D98 IonicContact NZ-OD1 2.77Å; K63-D98 PolarHBondContact NZ-OD1 3.47Å; D98-N100 VanDerWaalsContact C-N 3.3Å; D98-N100 PolarHBondContact O-N 2.73Å; D98-D101 PolarHBondContact O-N 3.48Å; D98-V102 PolarHBondContact O-N 3.45Å
99E91.1Very high89.4Confident78 Ų7852.1 Ų52.136%0.36428%0.283SS..Hα-helixtrans-58.8-38.9-176.8-64.8-173.8-165.900113.2T10 L16 L64 L103T10-E99 VanDerWaalsContact CG2-CD 3.44Å; T10-E99 HydrophobicContact CG2-CG 4.04Å; T10-E99 WeakPolarHBondContact CG2-OE1 3.19Å; L16-E99 HydrophobicContact CD1-CB 4.22Å; L16-E99 HydrophobicContact CD1-CG 4.09Å; L16-E99 HydrophobicContact CD2-CB 4.33Å; L16-E99 HydrophobicContact CD2-CG 4.39Å; L64-E99 HydrophobicContact CD2-CG 3.86Å; E99-L103 VanDerWaalsContact O-CG 3.28Å; E99-L103 WeakPolarHBondContact O-CG 3.22Å; E99-L103 PolarHBondContact O-N 3.16Å; E99-L103 VanDerWaalsContact O-N 3.13Å
100N90.8Very high89.5Confident117 Ų11754.3 Ų54.363%0.62629%0.294SS*.Hα-helixtrans-69.7-36.3-177.4-69.9-38000112.3D98 L103 T104D98-N100 VanDerWaalsContact C-N 3.3Å; D98-N100 PolarHBondContact O-N 2.73Å; N100-L103 PolarHBondContact O-N 3.37Å; N100-T104 WeakPolarHBondContact O-CB 3.09Å; N100-T104 PolarHBondContact O-N 2.93Å; N100-T104 PolarHBondContact O-OG1 3.14Å
101D90.4Very high89.6Confident54 Ų5459 Ų5929%0.28931%0.314SS..Hα-helixtrans-65.4-48-179.6-61-21.1000109.8A94 D98 L103 T104 H105A94-D101 HydrophobicContact CB-CB 4.29Å; A94-D101 WeakPolarHBondContact O-CB 3.4Å; D98-D101 PolarHBondContact O-N 3.48Å; D101-L103 VanDerWaalsContact C-N 3.33Å; D101-L103 PolarHBondContact O-N 3.37Å; D101-T104 PolarHBondContact O-N 3.28Å; D101-H105 PolarHBondContact O-CD2 3.18Å; D101-H105 PolarHBondContact O-N 3.2Å
102V91.8Very high89.8Confident0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-60.9-41.1176.6174.90000111.7V8 L16 V17 L64 I90 A94 D98 A106 L109V8-V102 HydrophobicContact CB-CG1 4.37Å; V8-V102 HydrophobicContact CG1-CG1 4.2Å; L16-V102 HydrophobicContact CB-CG1 4.11Å; L16-V102 HydrophobicContact CD1-CB 4.35Å; L16-V102 HydrophobicContact CD1-CG1 4.25Å; V17-V102 HydrophobicContact CG2-CG1 3.9Å; L64-V102 HydrophobicContact CD1-CG2 3.77Å; I90-V102 HydrophobicContact CG2-CG2 4.23Å; A94-V102 HydrophobicContact CB-CG2 4.33Å; D98-V102 PolarHBondContact O-N 3.45Å; V102-A106 WeakPolarHBondContact O-CA 3.46Å; V102-A106 PolarHBondContact O-N 3.08Å; V102-A106 VanDerWaalsContact O-N 3.09Å; V102-L109 HydrophobicContact CB-CD1 4.49Å; V102-L109 HydrophobicContact CG1-CD1 3.89Å
103L92.9Very high90.1Very high80 Ų8054.5 Ų54.542%0.41929%0.289SS..Hα-helixtrans-69.5-39.7178.5-73.4172.1000112.5L16 E99 N100 D101 H105 A106L16-L103 HydrophobicContact CB-CD2 4.34Å; L16-L103 HydrophobicContact CD2-CD1 4.36Å; L16-L103 HydrophobicContact CD2-CD2 4.42Å; L16-L103 HydrophobicContact CD2-CG 4.36Å; E99-L103 VanDerWaalsContact O-CG 3.28Å; E99-L103 WeakPolarHBondContact O-CG 3.22Å; E99-L103 PolarHBondContact O-N 3.16Å; E99-L103 VanDerWaalsContact O-N 3.13Å; N100-L103 PolarHBondContact O-N 3.37Å; D101-L103 VanDerWaalsContact C-N 3.33Å; D101-L103 PolarHBondContact O-N 3.37Å; L103-H105 VanDerWaalsContact C-N 3.3Å; L103-H105 PolarHBondContact O-N 3.3Å; L103-A106 WeakPolarHBondContact O-CB 3.46Å; L103-A106 PolarHBondContact O-N 3.32Å
104T93.4Very high90.3Very high107 Ų10755.6 Ų55.666%0.65630%0.297SS*.Hα-helixtrans-65.1-37.6179.6-57.80000111.1N100 D101N100-T104 WeakPolarHBondContact O-CB 3.09Å; N100-T104 PolarHBondContact O-N 2.93Å; N100-T104 PolarHBondContact O-OG1 3.14Å; D101-T104 PolarHBondContact O-N 3.28Å
105H92.5Very high90.7Very high53 Ų5358.9 Ų58.925%0.24531%0.312CS..THydrogen-bonded Turntrans-101.618.1-178.1-66.3-82.7000114Y93 A94 D101 L103 F107 Q108 L109Y93-H105 WeakPolarHBondContact O-CB 3.39Å; Y93-H105 VanDerWaalsContact O-CG 3.28Å; Y93-H105 PolarHBondContact O-ND1 3.09Å; A94-H105 HydrophobicContact CB-CB 4.49Å; A94-H105 PolarHBondContact O-CD2 3.45Å; D101-H105 PolarHBondContact O-CD2 3.18Å; D101-H105 PolarHBondContact O-N 3.2Å; L103-H105 VanDerWaalsContact C-N 3.3Å; L103-H105 PolarHBondContact O-N 3.3Å; H105-F107 VanDerWaalsContact C-N 3.3Å; H105-F107 PolarHBondContact O-N 3.35Å; H105-Q108 PolarHBondContact ND1-OE1 3.02Å; H105-Q108 PolarHBondContact O-N 3.18Å; H105-Q108 VanDerWaalsContact O-N 3.08Å; H105-L109 WeakPolarHBondContact O-CG 3.19Å; H105-L109 PolarHBondContact O-N 3.33Å
106A93.1Very high91.5Very high19 Ų1953.7 Ų53.716%0.15728%0.277CS..Hα-helixtrans-55.3-39.7-173.800000114.1V17 V102 L103 L109 I110V17-A106 HydrophobicContact CG2-CB 3.59Å; V102-A106 WeakPolarHBondContact O-CA 3.46Å; V102-A106 PolarHBondContact O-N 3.08Å; V102-A106 VanDerWaalsContact O-N 3.09Å; L103-A106 WeakPolarHBondContact O-CB 3.46Å; L103-A106 PolarHBondContact O-N 3.32Å; A106-L109 PolarHBondContact O-N 3.32Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.34Å; A106-I110 PolarHBondContact O-N 3.48Å
107F93.6Very high92.3Very high157 Ų15752.8 Ų52.869%0.68927%0.267SS*.Hα-helixtrans-68.6-40.2178.4-72.3-73.7000112.7H105 L109 I110 F111H105-F107 VanDerWaalsContact C-N 3.3Å; H105-F107 PolarHBondContact O-N 3.35Å; F107-L109 VanDerWaalsContact C-N 3.32Å; F107-I110 PolarHBondContact O-N 2.97Å; F107-F111 HydrophobicContact CB-CE2 4.48Å; F107-F111 VanDerWaalsContact O-CD2 3.26Å; F107-F111 WeakPolarHBondContact O-CD2 3.27Å; F107-F111 WeakPolarHBondContact O-CG 3.5Å; F107-F111 PolarHBondContact O-N 3.04Å
108Q92.1Very high92.8Very high90 Ų9053.6 Ų53.642%0.42128%0.276SS..Hα-helixtrans-64.9-40.3176.8-68.1178.1-11.900110.8Y93 H105 F111 A112Y93-Q108 HydrophobicContact CD1-CB 4.08Å; H105-Q108 PolarHBondContact ND1-OE1 3.02Å; H105-Q108 PolarHBondContact O-N 3.18Å; H105-Q108 VanDerWaalsContact O-N 3.08Å; Q108-F111 PolarHBondContact O-N 3.26Å; Q108-A112 PolarHBondContact O-N 2.7Å
109L93.6Very high92.9Very high0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-61.6-43.5173.3-68.1172.2000112I90 V102 H105 A106 F107 F111 A112 F113I90-L109 HydrophobicContact CB-CD2 4.35Å; I90-L109 HydrophobicContact CG1-CD2 4.11Å; V102-L109 HydrophobicContact CB-CD1 4.49Å; V102-L109 HydrophobicContact CG1-CD1 3.89Å; H105-L109 WeakPolarHBondContact O-CG 3.19Å; H105-L109 PolarHBondContact O-N 3.33Å; A106-L109 PolarHBondContact O-N 3.32Å; F107-L109 VanDerWaalsContact C-N 3.32Å; L109-F111 VanDerWaalsContact C-N 3.34Å; L109-F111 PolarHBondContact O-N 2.99Å; L109-A112 PolarHBondContact O-N 3.23Å; L109-F113 HydrophobicContact CB-CE1 4.48Å; L109-F113 HydrophobicContact CB-CZ 4.27Å; L109-F113 WeakPolarHBondContact O-CB 3.48Å; L109-F113 WeakPolarHBondContact O-CD1 3.34Å; L109-F113 WeakPolarHBondContact O-CG 3.28Å; L109-F113 PolarHBondContact O-N 2.89Å
110I94.4Very high92.8Very high45 Ų4553.5 Ų53.523%0.23128%0.278CS..Hα-helixtrans-60.7-43.7177-73.1164000111.2V17 A106 F107 F113 D114V17-I110 HydrophobicContact CG1-CD1 4.4Å; V17-I110 HydrophobicContact CG1-CG1 4.02Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.34Å; A106-I110 PolarHBondContact O-N 3.48Å; F107-I110 PolarHBondContact O-N 2.97Å; I110-F113 PolarHBondContact O-N 3.41Å; I110-D114 PolarHBondContact O-N 2.88Å
111F93.7Very high92.8Very high98 Ų9853.9 Ų53.943%0.4327%0.271SS..Hα-helixtrans-62.9-46.8176.7-61.7-36.6000111.4F107 Q108 L109 F113 D114 E115 T134F107-F111 HydrophobicContact CB-CE2 4.48Å; F107-F111 VanDerWaalsContact O-CD2 3.26Å; F107-F111 WeakPolarHBondContact O-CD2 3.27Å; F107-F111 WeakPolarHBondContact O-CG 3.5Å; F107-F111 PolarHBondContact O-N 3.04Å; Q108-F111 PolarHBondContact O-N 3.26Å; L109-F111 VanDerWaalsContact C-N 3.34Å; L109-F111 PolarHBondContact O-N 2.99Å; F111-F113 PolarHBondContact O-N 3.47Å; F111-D114 PolarHBondContact O-N 2.85Å; F111-D114 VanDerWaalsContact O-N 3.16Å; F111-E115 PolarHBondContact O-N 3.21Å; F111-T134 HydrophobicContact CB-CG2 4.18Å
112A94Very high92.9Very high0 Ų053.5 Ų53.50%027%0.265CS..Hα-helixtrans-61-34.2175.600000112.4V89 Y93 Q108 L109 E115 I116 I130V89-A112 HydrophobicContact CG1-CB 3.58Å; Y93-A112 HydrophobicContact CD2-CB 4.13Å; Y93-A112 HydrophobicContact CE2-CB 3.87Å; Q108-A112 PolarHBondContact O-N 2.7Å; L109-A112 PolarHBondContact O-N 3.23Å; A112-E115 PolarHBondContact O-N 3.41Å; A112-I116 WeakPolarHBondContact O-CD1 3.28Å; A112-I116 VanDerWaalsContact O-CG1 3.28Å; A112-I116 WeakPolarHBondContact O-CG1 3.46Å; A112-I116 PolarHBondContact O-N 3.16Å; A112-I130 HydrophobicContact CB-CG2 3.96Å
113F95.3Very high92.9Very high1 Ų157.8 Ų57.80%0.00429%0.285CS..Hα-helixtrans-69-35.9177-66.8-6000112.8V8 V17 R19 F21 F86 I90 L109 I110 F111 E115 I116 I117V8-F113 HydrophobicContact CG2-CZ 4.38Å; V17-F113 HydrophobicContact CG1-CE2 4.41Å; R19-F113 HydrophobicContact CB-CB 4.47Å; R19-F113 HydrophobicContact CB-CD2 4.03Å; R19-F113 HydrophobicContact CG-CB 4.45Å; F21-F113 HydrophobicContact CZ-CB 4.4Å; F86-F113 AromaticContact CD1-CD1 3.46Å; F86-F113 HydrophobicContact CD1-CD1 3.46Å; F86-F113 VanDerWaalsContact CD1-CD1 3.46Å; F86-F113 HydrophobicContact CD1-CD2 4.3Å; F86-F113 AromaticContact CD1-CE1 3.34Å; F86-F113 HydrophobicContact CD1-CE1 3.34Å; F86-F113 HydrophobicContact CD1-CE2 4.2Å; F86-F113 AromaticContact CD1-CG 3.97Å; F86-F113 HydrophobicContact CD1-CG 3.97Å; F86-F113 AromaticContact CD1-CZ 3.73Å; F86-F113 HydrophobicContact CD1-CZ 3.73Å; F86-F113 HydrophobicContact CE1-CB 3.77Å; F86-F113 AromaticContact CE1-CD1 3.21Å; F86-F113 HydrophobicContact CE1-CD1 3.21Å; F86-F113 AromaticContact CE1-CD2 3.71Å; F86-F113 HydrophobicContact CE1-CD2 3.71Å; F86-F113 AromaticContact CE1-CE1 3.61Å; F86-F113 HydrophobicContact CE1-CE1 3.61Å; F86-F113 HydrophobicContact CE1-CE2 4.04Å; F86-F113 AromaticContact CE1-CG 3.28Å; F86-F113 HydrophobicContact CE1-CG 3.28Å; F86-F113 AromaticContact CE1-CZ 4Å; F86-F113 HydrophobicContact CE1-CZ 4Å; F86-F113 HydrophobicContact CG-CE1 4.39Å; F86-F113 HydrophobicContact CZ-CB 4.12Å; F86-F113 HydrophobicContact CZ-CD1 4.13Å; F86-F113 HydrophobicContact CZ-CG 4.11Å; I90-F113 HydrophobicContact CD1-CZ 4.27Å; I90-F113 HydrophobicContact CG1-CE1 4.12Å; I90-F113 HydrophobicContact CG1-CZ 4.01Å; L109-F113 HydrophobicContact CB-CE1 4.48Å; L109-F113 HydrophobicContact CB-CZ 4.27Å; L109-F113 WeakPolarHBondContact O-CB 3.48Å; L109-F113 WeakPolarHBondContact O-CD1 3.34Å; L109-F113 WeakPolarHBondContact O-CG 3.28Å; L109-F113 PolarHBondContact O-N 2.89Å; I110-F113 PolarHBondContact O-N 3.41Å; F111-F113 PolarHBondContact O-N 3.47Å; F113-E115 VanDerWaalsContact C-N 3.29Å; F113-I116 HydrophobicContact CD1-CD1 4.41Å; F113-I116 PolarHBondContact O-N 3.28Å; F113-I117 PolarHBondContact O-N 3.03Å; F113-I117 VanDerWaalsContact O-N 3.08Å
114D94.7Very high92.7Very high50 Ų5061 Ų6127%0.26730%0.303SS..Hα-helixtrans-69.3-27.5176.3-77.4-6.3000112.1R19 I110 F111 I116R19-D114 IonicContact CZ-OD1 3.5Å; R19-D114 IonicContact CZ-OD2 3.59Å; R19-D114 IonicContact NE-OD1 3.32Å; R19-D114 PolarHBondContact NE-OD1 3Å; R19-D114 IonicContact NE-OD2 3.18Å; R19-D114 PolarHBondContact NE-OD2 2.81Å; R19-D114 IonicContact NH2-OD1 2.81Å; R19-D114 PolarHBondContact NH2-OD1 2.97Å; R19-D114 IonicContact NH2-OD2 3.34Å; R19-D114 PolarHBondContact NH2-OD2 3.2Å; I110-D114 PolarHBondContact O-N 2.88Å; F111-D114 PolarHBondContact O-N 2.85Å; F111-D114 VanDerWaalsContact O-N 3.16Å; D114-I116 VanDerWaalsContact C-N 3.35Å
115E93.8Very high92.6Very high70 Ų7056.7 Ų56.733%0.32728%0.277SS..Hα-helixtrans-74.6-22.7171.7-61.4-53.3133.400113.2F111 A112 F113 V125 I130 Y133F111-E115 PolarHBondContact O-N 3.21Å; A112-E115 PolarHBondContact O-N 3.41Å; F113-E115 VanDerWaalsContact C-N 3.29Å; E115-V125 WeakPolarHBondContact O-CG2 3.32Å; E115-I130 HydrophobicContact CB-CG1 4.48Å; E115-I130 HydrophobicContact CB-CG2 4.31Å; E115-Y133 WeakPolarHBondContact OE2-CB 3.32Å; E115-Y133 WeakPolarHBondContact OE2-CD2 3.4Å
116I94.5Very high92.4Very high0 Ų057.7 Ų57.70%028%0.284CS..Hα-helixtrans-86.8-37.1178.7-58.5160.8000111.4T82 L85 F86 V89 A112 F113 D114 E123 I130T82-I116 HydrophobicContact CG2-CG2 4.04Å; L85-I116 HydrophobicContact CD2-CG1 4.16Å; L85-I116 HydrophobicContact CD2-CG2 3.8Å; L85-I116 HydrophobicContact CG-CD1 4.32Å; L85-I116 HydrophobicContact CG-CG1 4.4Å; L85-I116 HydrophobicContact CG-CG2 4.43Å; F86-I116 HydrophobicContact CD2-CD1 3.99Å; F86-I116 HydrophobicContact CD2-CG2 4.06Å; F86-I116 HydrophobicContact CE1-CD1 4.49Å; F86-I116 HydrophobicContact CE2-CB 3.91Å; F86-I116 HydrophobicContact CE2-CD1 3.9Å; F86-I116 HydrophobicContact CE2-CG2 3.49Å; F86-I116 VanDerWaalsContact CE2-CG2 3.49Å; F86-I116 HydrophobicContact CG-CD1 4.33Å; F86-I116 HydrophobicContact CZ-CB 4.26Å; F86-I116 HydrophobicContact CZ-CD1 4.15Å; F86-I116 HydrophobicContact CZ-CG2 4.31Å; V89-I116 HydrophobicContact CB-CD1 4.48Å; V89-I116 HydrophobicContact CG2-CD1 4Å; A112-I116 WeakPolarHBondContact O-CD1 3.28Å; A112-I116 VanDerWaalsContact O-CG1 3.28Å; A112-I116 WeakPolarHBondContact O-CG1 3.46Å; A112-I116 PolarHBondContact O-N 3.16Å; F113-I116 HydrophobicContact CD1-CD1 4.41Å; F113-I116 PolarHBondContact O-N 3.28Å; D114-I116 VanDerWaalsContact C-N 3.35Å; I116-E123 PolarHBondContact O-N 2.81Å; I116-I130 HydrophobicContact CD1-CD1 4.17Å; I116-I130 HydrophobicContact CG1-CD1 3.58Å; I116-I130 HydrophobicContact CG1-CG1 4.36Å
117I94.4Very high92.2Very high1 Ų159 Ų591%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-131.8118.5-175.2-58.9174.1000110L3 F21 T82 F86 F113 Y121L3-I117 HydrophobicContact CB-CD1 4.23Å; L3-I117 HydrophobicContact CB-CG2 4.49Å; L3-I117 HydrophobicContact CD1-CD1 3.72Å; L3-I117 HydrophobicContact CD1-CG1 4.33Å; L3-I117 HydrophobicContact CD2-CD1 4.43Å; L3-I117 HydrophobicContact CG-CD1 4.34Å; F21-I117 HydrophobicContact CB-CG2 4.14Å; F21-I117 HydrophobicContact CD1-CB 3.89Å; F21-I117 HydrophobicContact CD1-CG2 3.62Å; F21-I117 WeakPolarHBondContact CD1-O 3.41Å; F21-I117 HydrophobicContact CD2-CB 4.27Å; F21-I117 HydrophobicContact CD2-CD1 4.07Å; F21-I117 HydrophobicContact CD2-CG2 3.75Å; F21-I117 HydrophobicContact CE1-CB 3.62Å; F21-I117 HydrophobicContact CE1-CG2 3.91Å; F21-I117 WeakPolarHBondContact CE1-O 3.39Å; F21-I117 HydrophobicContact CE2-CB 4.02Å; F21-I117 HydrophobicContact CE2-CD1 3.47Å; F21-I117 VanDerWaalsContact CE2-CD1 3.47Å; F21-I117 HydrophobicContact CE2-CG1 4.31Å; F21-I117 HydrophobicContact CE2-CG2 4.02Å; F21-I117 HydrophobicContact CG-CB 4.21Å; F21-I117 HydrophobicContact CG-CG2 3.55Å; F21-I117 HydrophobicContact CZ-CB 3.69Å; F21-I117 HydrophobicContact CZ-CD1 3.77Å; F21-I117 HydrophobicContact CZ-CG1 4.2Å; F21-I117 HydrophobicContact CZ-CG2 4.09Å; T82-I117 HydrophobicContact CG2-CD1 3.98Å; T82-I117 HydrophobicContact CG2-CG1 4.17Å; F86-I117 HydrophobicContact CE2-CD1 3.53Å; F86-I117 HydrophobicContact CE2-CG1 3.95Å; F86-I117 HydrophobicContact CZ-CD1 3.58Å; F86-I117 HydrophobicContact CZ-CG1 4.1Å; F113-I117 PolarHBondContact O-N 3.03Å; F113-I117 VanDerWaalsContact O-N 3.08Å; I117-Y121 CarbonylContact C-O 3.6Å; I117-Y121 VanDerWaalsContact CA-O 3.32Å; I117-Y121 WeakPolarHBondContact CA-O 3.43Å; I117-Y121 WeakPolarHBondContact CG2-O 3.4Å
118A91.8Very high91.9Very high36 Ų3655.1 Ų55.130%0.29828%0.28SS..EExtended strand (participates in β ladder)trans-105.6119.4171.900000110.5G120 Y121 E123A118-G120 PolarHBondContact O-N 3.18Å; A118-Y121 PolarHBondContact N-O 2.69Å; A118-Y121 PolarHBondContact O-N 3.32Å; A118-E123 HydrophobicContact CB-CG 4.04Å; A118-E123 VanDerWaalsContact CB-OE1 3.31Å; A118-E123 WeakPolarHBondContact CB-OE1 3.19Å
119L89.6Confident91.7Very high146 Ų14653.9 Ų53.976%0.76427%0.274SS*.THydrogen-bonded Turntrans52.329.7175.7-57.6174.2000114.5
120G89.3Confident91.6Very high0 Ų053.9 Ų53.90%027%0.274CS..THydrogen-bonded Turntrans87.24.1179.700000114.7V2 L3 A118V2-G120 WeakPolarHBondContact CA-O 3.47Å; L3-G120 PolarHBondContact N-O 2.95Å; L3-G120 VanDerWaalsContact O-CA 3.27Å; L3-G120 WeakPolarHBondContact O-CA 3.42Å; A118-G120 PolarHBondContact O-N 3.18Å
121Y90.9Very high91.3Very high124 Ų12457.5 Ų57.549%0.48629%0.285SS..EExtended strand (participates in β ladder)trans-103138.4171.4-62.3-88.2000109.7M1 I117 A118M1-Y121 HydrophobicContact CB-CE1 4.47Å; M1-Y121 WeakPolarHBondContact O-CE1 3.46Å; M1-Y121 HydrophobicContact SD-CD1 4.39Å; I117-Y121 CarbonylContact C-O 3.6Å; I117-Y121 VanDerWaalsContact CA-O 3.32Å; I117-Y121 WeakPolarHBondContact CA-O 3.43Å; I117-Y121 WeakPolarHBondContact CG2-O 3.4Å; A118-Y121 PolarHBondContact N-O 2.69Å; A118-Y121 PolarHBondContact O-N 3.32Å
122R90.9Very high91Very high46 Ų4656.2 Ų56.217%0.17429%0.286CS..EExtended strand (participates in β ladder)trans-72.3133.5175.9-179.9-164.8174.4178.6-4.7109.2M1 E81 T82M1-R122 HydrophobicContact CE-CB 4.32Å; E81-R122 IonicContact OE1-CZ 3.92Å; E81-R122 IonicContact OE1-NH1 2.81Å; E81-R122 IonicContact OE1-NH2 3.84Å; E81-R122 PolarHBondContact OE1-NH2 2.98Å; E81-R122 IonicContact OE2-CZ 2.94Å; E81-R122 IonicContact OE2-NH1 2.96Å; E81-R122 PolarHBondContact OE2-NH1 3.09Å; E81-R122 IonicContact OE2-NH2 3.69Å; T82-R122 VanDerWaalsContact OG1-CD 3.29Å; T82-R122 WeakPolarHBondContact OG1-CD 3.45Å
123E91.5Very high90.7Very high90 Ų9061 Ų6142%0.42130%0.304SS..PPolyproline II helixtrans-88146.8168.5-67.6-64.3156.900110.7I116 A118 V125I116-E123 PolarHBondContact O-N 2.81Å; A118-E123 HydrophobicContact CB-CG 4.04Å; A118-E123 VanDerWaalsContact CB-OE1 3.31Å; A118-E123 WeakPolarHBondContact CB-OE1 3.19Å; E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 HydrophobicContact CB-CG1 4.15Å; E123-V125 HydrophobicContact CB-CG2 4.4Å; E123-V125 PolarHBondContact O-N 3.48Å
124D89.7Confident90.4Very high148 Ų14862.4 Ų62.479%0.79131%0.313SS*.  trans-83.675.5178-169.719.8000110.4
125V90.3Very high90Very high17 Ų1766.7 Ų66.710%0.10333%0.331CS..  trans-125.9146.3-176.7-62.70000112.3L85 E115 E123 I130 Y133L85-V125 HydrophobicContact CD2-CG2 4.44Å; L85-V125 WeakPolarHBondContact CD2-O 3.46Å; E115-V125 WeakPolarHBondContact O-CG2 3.32Å; E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 HydrophobicContact CB-CG1 4.15Å; E123-V125 HydrophobicContact CB-CG2 4.4Å; E123-V125 PolarHBondContact O-N 3.48Å; V125-I130 HydrophobicContact CB-CG1 4.24Å; V125-I130 HydrophobicContact CG2-CD1 4.01Å; V125-I130 HydrophobicContact CG2-CG1 3.85Å; V125-Y133 HydrophobicContact CG1-CE2 3.8Å
126N89.4Confident89.5Confident74 Ų7470.6 Ų70.640%0.39635%0.351SS..  trans-105.1169.2170.87240.7000111.6S128 Q129 I130N126-S128 VanDerWaalsContact C-N 3.29Å; N126-S128 PolarHBondContact O-N 3.25Å; N126-S128 PolarHBondContact OD1-N 3.34Å; N126-S128 PolarHBondContact OD1-OG 2.84Å; N126-Q129 VanDerWaalsContact CG-OE1 3.27Å; N126-Q129 PolarHBondContact ND2-OE1 3.45Å; N126-Q129 PolarHBondContact O-N 3.29Å; N126-Q129 VanDerWaalsContact O-N 3.12Å; N126-Q129 WeakPolarHBondContact OD1-CG 3.46Å; N126-Q129 PolarHBondContact OD1-N 3.27Å; N126-I130 WeakPolarHBondContact O-CG1 3.44Å; N126-I130 PolarHBondContact O-N 3.39Å
127L88.5Confident88.7Confident47 Ų4774 Ų7425%0.24637%0.37CS..Hα-helixtrans-56.4-39.4-177.5-168.758.6000113.5R88 V89 E92 I130 R131R88-L127 HydrophobicContact CB-CD2 4.5Å; V89-L127 HydrophobicContact CB-CD1 4.39Å; V89-L127 HydrophobicContact CG2-CD1 3.48Å; V89-L127 VanDerWaalsContact CG2-CD1 3.48Å; E92-L127 WeakPolarHBondContact OE1-CD1 3.31Å; E92-L127 WeakPolarHBondContact OE2-CD1 3.32Å; E92-L127 WeakPolarHBondContact OE2-CD2 3.49Å; E92-L127 WeakPolarHBondContact OE2-CG 2.82Å; L127-I130 PolarHBondContact O-N 3.08Å; L127-R131 PolarHBondContact O-N 2.81Å
128S87.9Confident88.1Confident74 Ų7476.7 Ų76.752%0.51739%0.389SS..Hα-helixtrans-68.9-35.6178.764.80000113.2N126 T132N126-S128 VanDerWaalsContact C-N 3.29Å; N126-S128 PolarHBondContact O-N 3.25Å; N126-S128 PolarHBondContact OD1-N 3.34Å; N126-S128 PolarHBondContact OD1-OG 2.84Å; S128-T132 PolarHBondContact O-N 3.42Å; S128-T132 PolarHBondContact O-OG1 3.3Å
129Q88.2Confident87.5Confident65 Ų6580.8 Ų80.830%0.30440%0.401SS..Hα-helixtrans-68.3-42.4174.8-71.6168.1-49.900110.7N126 R131 T132 Y133N126-Q129 VanDerWaalsContact CG-OE1 3.27Å; N126-Q129 PolarHBondContact ND2-OE1 3.45Å; N126-Q129 PolarHBondContact O-N 3.29Å; N126-Q129 VanDerWaalsContact O-N 3.12Å; N126-Q129 WeakPolarHBondContact OD1-CG 3.46Å; N126-Q129 PolarHBondContact OD1-N 3.27Å; Q129-R131 VanDerWaalsContact C-N 3.28Å; Q129-R131 PolarHBondContact O-N 3.15Å; Q129-T132 PolarHBondContact O-N 2.65Å; Q129-T132 VanDerWaalsContact O-N 3.14Å; Q129-Y133 HydrophobicContact CB-CE1 4.5Å; Q129-Y133 HydrophobicContact CB-CE2 3.98Å; Q129-Y133 WeakPolarHBondContact O-CD1 3.12Å; Q129-Y133 PolarHBondContact O-N 3.34Å
130I90.3Very high87.1Confident0 Ų079.7 Ų79.70%040%0.396CS..Hα-helixtrans-58.3-41.2177.7-63.7162.8000111L85 V89 Y93 A112 E115 I116 V125 N126 L127 Y133 T134L85-I130 HydrophobicContact CD1-CD1 4.09Å; L85-I130 HydrophobicContact CD2-CD1 4.15Å; L85-I130 HydrophobicContact CG-CD1 4.25Å; V89-I130 HydrophobicContact CG2-CD1 4.01Å; Y93-I130 HydrophobicContact CE2-CG2 4.37Å; Y93-I130 PolarHBondContact OH-O 3.49Å; A112-I130 HydrophobicContact CB-CG2 3.96Å; E115-I130 HydrophobicContact CB-CG1 4.48Å; E115-I130 HydrophobicContact CB-CG2 4.31Å; I116-I130 HydrophobicContact CD1-CD1 4.17Å; I116-I130 HydrophobicContact CG1-CD1 3.58Å; I116-I130 HydrophobicContact CG1-CG1 4.36Å; V125-I130 HydrophobicContact CB-CG1 4.24Å; V125-I130 HydrophobicContact CG2-CD1 4.01Å; V125-I130 HydrophobicContact CG2-CG1 3.85Å; N126-I130 WeakPolarHBondContact O-CG1 3.44Å; N126-I130 PolarHBondContact O-N 3.39Å; L127-I130 PolarHBondContact O-N 3.08Å; I130-Y133 PolarHBondContact O-N 3.39Å; I130-T134 VanDerWaalsContact O-CB 3.29Å; I130-T134 WeakPolarHBondContact O-CB 3.33Å; I130-T134 PolarHBondContact O-N 3.29Å; I130-T134 PolarHBondContact O-OG1 3.3Å
131R88.7Confident86.9Confident121 Ų12183.5 Ų83.546%0.45741%0.414SS..Hα-helixtrans-57-54.7173.2-69.4-176.3-169-162.7-1.8111.7E92 Y93 L127 Q129 Y133 T134 E135E92-R131 VanDerWaalsContact CD-CZ 3.47Å; E92-R131 WeakPolarHBondContact OE1-CD 3.27Å; E92-R131 VanDerWaalsContact OE1-CG 3.22Å; E92-R131 WeakPolarHBondContact OE1-CG 3.17Å; E92-R131 IonicContact OE1-CZ 3.46Å; E92-R131 IonicContact OE1-NE 3.42Å; E92-R131 PolarHBondContact OE1-NE 3.46Å; E92-R131 IonicContact OE1-NH2 2.7Å; E92-R131 PolarHBondContact OE1-NH2 2.7Å; E92-R131 IonicContact OE2-CZ 3.7Å; E92-R131 IonicContact OE2-NE 3.42Å; E92-R131 PolarHBondContact OE2-NE 3.22Å; E92-R131 IonicContact OE2-NH2 3.41Å; E92-R131 PolarHBondContact OE2-NH2 3.42Å; Y93-R131 WeakPolarHBondContact OH-CA 3.5Å; L127-R131 PolarHBondContact O-N 2.81Å; Q129-R131 VanDerWaalsContact C-N 3.28Å; Q129-R131 PolarHBondContact O-N 3.15Å; R131-Y133 VanDerWaalsContact C-N 3.28Å; R131-Y133 PolarHBondContact O-N 3.49Å; R131-T134 PolarHBondContact O-N 3.4Å; R131-E135 WeakPolarHBondContact O-CG 3.44Å; R131-E135 PolarHBondContact O-N 3.39Å
132T87Confident86.6Confident71 Ų7183.9 Ų83.944%0.43641%0.414SS..Hα-helixtrans-58-40.8-179.9-52.90000112S128 Q129 E135 M136S128-T132 PolarHBondContact O-N 3.42Å; S128-T132 PolarHBondContact O-OG1 3.3Å; Q129-T132 PolarHBondContact O-N 2.65Å; Q129-T132 VanDerWaalsContact O-N 3.14Å; T132-E135 PolarHBondContact O-N 2.9Å; T132-M136 PolarHBondContact O-N 2.9Å
133Y88.7Confident86.5Confident101 Ų10185 Ų8540%0.39643%0.426SS..Hα-helixtrans-70.6-40.6179.7-58.9-15.9000111.7E115 V125 Q129 I130 R131 E135 M136E115-Y133 WeakPolarHBondContact OE2-CB 3.32Å; E115-Y133 WeakPolarHBondContact OE2-CD2 3.4Å; V125-Y133 HydrophobicContact CG1-CE2 3.8Å; Q129-Y133 HydrophobicContact CB-CE1 4.5Å; Q129-Y133 HydrophobicContact CB-CE2 3.98Å; Q129-Y133 WeakPolarHBondContact O-CD1 3.12Å; Q129-Y133 PolarHBondContact O-N 3.34Å; I130-Y133 PolarHBondContact O-N 3.39Å; R131-Y133 VanDerWaalsContact C-N 3.28Å; R131-Y133 PolarHBondContact O-N 3.49Å; Y133-E135 VanDerWaalsContact C-N 3.29Å; Y133-E135 PolarHBondContact O-N 3.23Å; Y133-M136 WeakPolarHBondContact O-CA 3.5Å; Y133-M136 PolarHBondContact O-N 3.23Å
134T88.5Confident86.4Confident30 Ų3086.6 Ų86.618%0.18443%0.432CS..Hα-helixtrans-69.2-27.9177.7-51.30000112Y93 F111 I130 R131 M136Y93-T134 HydrophobicContact CE1-CG2 3.9Å; Y93-T134 PolarHBondContact OH-OG1 3.09Å; F111-T134 HydrophobicContact CB-CG2 4.18Å; I130-T134 VanDerWaalsContact O-CB 3.29Å; I130-T134 WeakPolarHBondContact O-CB 3.33Å; I130-T134 PolarHBondContact O-N 3.29Å; I130-T134 PolarHBondContact O-OG1 3.3Å; R131-T134 PolarHBondContact O-N 3.4Å; T134-M136 PolarHBondContact O-N 3.39Å
135E86.5Confident86.4Confident140 Ų14087 Ų8765%0.65442%0.423SS*.THydrogen-bonded Turntrans-70.2-13.1170.6-74.4173.7-170.100113.1R131 T132 Y133 D137R131-E135 WeakPolarHBondContact O-CG 3.44Å; R131-E135 PolarHBondContact O-N 3.39Å; T132-E135 PolarHBondContact O-N 2.9Å; Y133-E135 VanDerWaalsContact C-N 3.29Å; Y133-E135 PolarHBondContact O-N 3.23Å; E135-D137 PolarHBondContact O-N 3.12Å; E135-D137 VanDerWaalsContact O-N 3.09Å
136M82.2Confident86.5Confident152 Ų15288.3 Ų88.375%0.74944%0.435SS*.THydrogen-bonded Turntrans56.419.8-179.1-54.5-178.2179.900114.1T132 Y133 T134 S138T132-M136 PolarHBondContact O-N 2.9Å; Y133-M136 WeakPolarHBondContact O-CA 3.5Å; Y133-M136 PolarHBondContact O-N 3.23Å; T134-M136 PolarHBondContact O-N 3.39Å; M136-S138 PolarHBondContact O-N 3.24Å; M136-S138 VanDerWaalsContact O-N 3.16Å
137D79.2Confident86.6Confident71 Ų7187.8 Ų87.838%0.3843%0.434SS..  trans-84.189.2177.3-174.427.5000110.4E135 R142E135-D137 PolarHBondContact O-N 3.12Å; E135-D137 VanDerWaalsContact O-N 3.09Å; D137-R142 WeakPolarHBondContact OD1-CD 2.98Å; D137-R142 IonicContact OD1-CZ 3.22Å; D137-R142 IonicContact OD1-NE 3.41Å; D137-R142 IonicContact OD1-NH1 2.69Å; D137-R142 PolarHBondContact OD1-NH1 3.43Å; D137-R142 IonicContact OD2-CZ 3.86Å; D137-R142 VanDerWaalsContact OD2-CZ 3.22Å; D137-R142 IonicContact OD2-NH1 3.46Å; D137-R142 PolarHBondContact OD2-NH1 2.83Å; D137-R142 IonicContact OD2-NH2 3.46Å; D137-R142 PolarHBondContact OD2-NH2 3.21Å
138S80.3Confident86.8Confident58 Ų5889.7 Ų89.741%0.40644%0.442SS..  trans-85.2124.6174.5177.30000111.4M136 D140 E141 R142M136-S138 PolarHBondContact O-N 3.24Å; M136-S138 VanDerWaalsContact O-N 3.16Å; S138-D140 VanDerWaalsContact C-N 3.26Å; S138-D140 PolarHBondContact O-N 3.12Å; S138-D140 PolarHBondContact OG-N 3.25Å; S138-E141 PolarHBondContact O-N 2.89Å; S138-E141 PolarHBondContact OG-N 3.02Å; S138-R142 PolarHBondContact O-N 3.36Å; S138-R142 VanDerWaalsContact O-N 3.13Å
139H80Confident87.1Confident121 Ų12192.6 Ų92.656%0.5645%0.447SS*.Hα-helixtrans-56.6-41.6171.1-179.676000111.9E141 R142 V143H139-E141 VanDerWaalsContact C-N 3.32Å; H139-E141 PolarHBondContact O-N 3.41Å; H139-R142 PolarHBondContact O-N 2.84Å; H139-V143 WeakPolarHBondContact O-CG2 3.43Å; H139-V143 PolarHBondContact O-N 3.37Å
140D82.2Confident87.4Confident124 Ų12492.8 Ų92.866%0.66345%0.451SS*.Hα-helixtrans-65-36.6-179-70.8-11.9000111.7S138 V143 F144S138-D140 VanDerWaalsContact C-N 3.26Å; S138-D140 PolarHBondContact O-N 3.12Å; S138-D140 PolarHBondContact OG-N 3.25Å; D140-V143 PolarHBondContact O-N 3.08Å; D140-F144 VanDerWaalsContact O-CB 3.28Å; D140-F144 WeakPolarHBondContact O-CB 3.23Å; D140-F144 PolarHBondContact O-N 2.92Å
141E83.2Confident87.5Confident80 Ų8099.7 Ų99.737%0.37448%0.48SS..Hα-helixtrans-67.3-41.2174.9178.764.2-169.300111.4S138 H139 V143 F144 R145S138-E141 PolarHBondContact O-N 2.89Å; S138-E141 PolarHBondContact OG-N 3.02Å; H139-E141 VanDerWaalsContact C-N 3.32Å; H139-E141 PolarHBondContact O-N 3.41Å; E141-V143 PolarHBondContact O-N 2.62Å; E141-F144 PolarHBondContact O-N 3.13Å; E141-R145 WeakPolarHBondContact O-CB 3.16Å; E141-R145 WeakPolarHBondContact O-CG 3.25Å; E141-R145 PolarHBondContact O-N 3.04Å; E141-R145 IonicContact OE1-CZ 3.33Å; E141-R145 IonicContact OE1-NE 2.77Å; E141-R145 PolarHBondContact OE1-NE 2.72Å; E141-R145 IonicContact OE1-NH2 3.01Å; E141-R145 PolarHBondContact OE1-NH2 2.93Å
142R86Confident87.7Confident131 Ų13199.4 Ų99.449%0.49449%0.485SS..Hα-helixtrans-61.8-44.2174.5-69.5-168.8-63.7-145.4-13.4111.8D137 S138 H139 R145 A146D137-R142 WeakPolarHBondContact OD1-CD 2.98Å; D137-R142 IonicContact OD1-CZ 3.22Å; D137-R142 IonicContact OD1-NE 3.41Å; D137-R142 IonicContact OD1-NH1 2.69Å; D137-R142 PolarHBondContact OD1-NH1 3.43Å; D137-R142 IonicContact OD2-CZ 3.86Å; D137-R142 VanDerWaalsContact OD2-CZ 3.22Å; D137-R142 IonicContact OD2-NH1 3.46Å; D137-R142 PolarHBondContact OD2-NH1 2.83Å; D137-R142 IonicContact OD2-NH2 3.46Å; D137-R142 PolarHBondContact OD2-NH2 3.21Å; S138-R142 PolarHBondContact O-N 3.36Å; S138-R142 VanDerWaalsContact O-N 3.13Å; H139-R142 PolarHBondContact O-N 2.84Å; R142-R145 PolarHBondContact O-N 2.81Å; R142-A146 WeakPolarHBondContact O-CB 3.46Å; R142-A146 PolarHBondContact O-N 2.94Å
143V88.6Confident88.1Confident69 Ų69102.1 Ų102.142%0.41849%0.487SS..Hα-helixtrans-63.5-44.2176.3173.10000110.5H139 D140 E141 A146 V147H139-V143 WeakPolarHBondContact O-CG2 3.43Å; H139-V143 PolarHBondContact O-N 3.37Å; D140-V143 PolarHBondContact O-N 3.08Å; E141-V143 PolarHBondContact O-N 2.62Å; V143-A146 PolarHBondContact O-N 2.88Å; V143-V147 HydrophobicContact CG1-CG2 4.43Å; V143-V147 VanDerWaalsContact O-CG2 3.32Å; V143-V147 WeakPolarHBondContact O-CG2 3.16Å; V143-V147 PolarHBondContact O-N 3.04Å
144F89.4Confident88.3Confident124 Ų124101 Ų10154%0.54449%0.488SS..Hα-helixtrans-61-47.3178.2-178.1-96.6000112D140 E141 A146 V147 Q148D140-F144 VanDerWaalsContact O-CB 3.28Å; D140-F144 WeakPolarHBondContact O-CB 3.23Å; D140-F144 PolarHBondContact O-N 2.92Å; E141-F144 PolarHBondContact O-N 3.13Å; F144-A146 PolarHBondContact O-N 2.91Å; F144-V147 PolarHBondContact O-N 3.29Å; F144-Q148 WeakPolarHBondContact O-CB 3.25Å; F144-Q148 PolarHBondContact O-N 3.45Å
145R89.9Confident88.5Confident157 Ų157102.4 Ų102.459%0.59250%0.502SS*.Hα-helixtrans-59.7-44.2175.5-73.1-177.6-173.2-173.55.7112.1E141 R142 V147 Q148 E149E141-R145 WeakPolarHBondContact O-CB 3.16Å; E141-R145 WeakPolarHBondContact O-CG 3.25Å; E141-R145 PolarHBondContact O-N 3.04Å; E141-R145 IonicContact OE1-CZ 3.33Å; E141-R145 IonicContact OE1-NE 2.77Å; E141-R145 PolarHBondContact OE1-NE 2.72Å; E141-R145 IonicContact OE1-NH2 3.01Å; E141-R145 PolarHBondContact OE1-NH2 2.93Å; R142-R145 PolarHBondContact O-N 2.81Å; R145-V147 PolarHBondContact O-N 3.28Å; R145-Q148 PolarHBondContact O-N 2.91Å; R145-E149 WeakPolarHBondContact O-CB 3.48Å; R145-E149 PolarHBondContact O-N 3.2Å
146A90.9Very high88.9Confident44 Ų44102.2 Ų102.236%0.36450%0.499SS..Hα-helixtrans-63.4-39.4177.200000112.4R142 V143 F144 N150R142-A146 WeakPolarHBondContact O-CB 3.46Å; R142-A146 PolarHBondContact O-N 2.94Å; V143-A146 PolarHBondContact O-N 2.88Å; F144-A146 PolarHBondContact O-N 2.91Å; A146-N150 WeakPolarHBondContact O-CB 3.09Å; A146-N150 VanDerWaalsContact O-CG 3.31Å; A146-N150 PolarHBondContact O-N 3Å; A146-N150 PolarHBondContact O-ND2 3.36Å; A146-N150 VanDerWaalsContact O-ND2 3.07Å
147V93.1Very high89.4Confident63 Ų63100.2 Ų100.238%0.38249%0.488SS..Hα-helixtrans-67.1-40.5175.2170.50000111.1V143 F144 R145 K151V143-V147 HydrophobicContact CG1-CG2 4.43Å; V143-V147 VanDerWaalsContact O-CG2 3.32Å; V143-V147 WeakPolarHBondContact O-CG2 3.16Å; V143-V147 PolarHBondContact O-N 3.04Å; F144-V147 PolarHBondContact O-N 3.29Å; R145-V147 PolarHBondContact O-N 3.28Å; V147-K151 HydrophobicContact CG1-CD 4.21Å; V147-K151 VanDerWaalsContact O-CG 3.29Å; V147-K151 WeakPolarHBondContact O-CG 3.24Å; V147-K151 PolarHBondContact O-N 3.13Å
148Q93Very high90Very high88 Ų88102.2 Ų102.241%0.41150%0.495SS..Hα-helixtrans-65.8-47.3177.6-173.1-178.8-23.500111.5F144 R145 N150 K151 E152F144-Q148 WeakPolarHBondContact O-CB 3.25Å; F144-Q148 PolarHBondContact O-N 3.45Å; R145-Q148 PolarHBondContact O-N 2.91Å; Q148-N150 PolarHBondContact O-N 3.29Å; Q148-K151 WeakPolarHBondContact O-CB 3.44Å; Q148-K151 PolarHBondContact O-N 3Å; Q148-E152 PolarHBondContact NE2-OE1 2.9Å; Q148-E152 WeakPolarHBondContact O-CG 3.14Å; Q148-E152 PolarHBondContact O-N 3.28Å
149E94Very high90.4Very high134 Ų134106 Ų10663%0.62651%0.508SS*.Hα-helixtrans-61.4-42.6178.2-173.1178.1-175.600111.7R145 K151 E152 R153R145-E149 WeakPolarHBondContact O-CB 3.48Å; R145-E149 PolarHBondContact O-N 3.2Å; E149-K151 PolarHBondContact O-N 3.46Å; E149-E152 PolarHBondContact O-N 3.15Å; E149-R153 WeakPolarHBondContact O-CB 3.47Å; E149-R153 PolarHBondContact O-N 3.47Å
150N92.9Very high91Very high70 Ų70105.5 Ų105.537%0.37450%0.504SS..Hα-helixtrans-61.8-43.1174.7-79.1-37.4000111.9A146 Q148 E152 R153 D154A146-N150 WeakPolarHBondContact O-CB 3.09Å; A146-N150 VanDerWaalsContact O-CG 3.31Å; A146-N150 PolarHBondContact O-N 3Å; A146-N150 PolarHBondContact O-ND2 3.36Å; A146-N150 VanDerWaalsContact O-ND2 3.07Å; Q148-N150 PolarHBondContact O-N 3.29Å; N150-E152 PolarHBondContact O-N 3.4Å; N150-R153 PolarHBondContact O-N 3.22Å; N150-R153 PolarHBondContact OD1-NH2 3.43Å; N150-D154 WeakPolarHBondContact O-CB 3.34Å; N150-D154 PolarHBondContact O-N 2.92Å
151K94.1Very high91.4Very high144 Ų144103.9 Ų103.963%0.62649%0.492SS*.Hα-helixtrans-62.2-41175.9-75.8173.3-179175.60112.3V147 Q148 E149 A155V147-K151 HydrophobicContact CG1-CD 4.21Å; V147-K151 VanDerWaalsContact O-CG 3.29Å; V147-K151 WeakPolarHBondContact O-CG 3.24Å; V147-K151 PolarHBondContact O-N 3.13Å; Q148-K151 WeakPolarHBondContact O-CB 3.44Å; Q148-K151 PolarHBondContact O-N 3Å; E149-K151 PolarHBondContact O-N 3.46Å; K151-A155 VanDerWaalsContact O-CB 3.31Å; K151-A155 WeakPolarHBondContact O-CB 3.36Å; K151-A155 PolarHBondContact O-N 3.31Å
152E93.2Very high91.8Very high116 Ų116108.4 Ų108.454%0.54251%0.506SS..Hα-helixtrans-66.7-40.9177.1-72.6178.7-16300111.8Q148 E149 N150 K156Q148-E152 PolarHBondContact NE2-OE1 2.9Å; Q148-E152 WeakPolarHBondContact O-CG 3.14Å; Q148-E152 PolarHBondContact O-N 3.28Å; E149-E152 PolarHBondContact O-N 3.15Å; N150-E152 PolarHBondContact O-N 3.4Å; E152-K156 WeakPolarHBondContact O-CB 3.48Å; E152-K156 PolarHBondContact O-N 3.25Å
153R94Very high91.9Very high128 Ų128104.9 Ų104.948%0.48351%0.505SS..Hα-helixtrans-63.1-49.1175-171.7177.867.1-151.6-7.2111.6E149 N150 A155 K156 E157E149-R153 WeakPolarHBondContact O-CB 3.47Å; E149-R153 PolarHBondContact O-N 3.47Å; N150-R153 PolarHBondContact O-N 3.22Å; N150-R153 PolarHBondContact OD1-NH2 3.43Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 2.88Å; R153-K156 PolarHBondContact O-N 2.92Å; R153-K156 VanDerWaalsContact O-N 3.16Å; R153-E157 PolarHBondContact O-N 3.07Å
154D93.7Very high92.1Very high78 Ų78108.4 Ų108.442%0.41751%0.511SS..Hα-helixtrans-61.3-41179.4-70.1-4.3000111.4N150 E157 Q158N150-D154 WeakPolarHBondContact O-CB 3.34Å; N150-D154 PolarHBondContact O-N 2.92Å; D154-E157 PolarHBondContact O-N 3.16Å; D154-Q158 WeakPolarHBondContact O-CB 3.49Å; D154-Q158 WeakPolarHBondContact O-CG 3.25Å; D154-Q158 PolarHBondContact O-N 2.87Å
155A93.1Very high92Very high58 Ų58107 Ų10748%0.47951%0.506SS..Hα-helixtrans-64.8-40.4175.900000112.4K151 R153 M159K151-A155 VanDerWaalsContact O-CB 3.31Å; K151-A155 WeakPolarHBondContact O-CB 3.36Å; K151-A155 PolarHBondContact O-N 3.31Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 2.88Å; A155-M159 WeakPolarHBondContact O-CB 3.16Å; A155-M159 PolarHBondContact O-N 2.94Å
156K94.5Very high91.8Very high136 Ų136104.5 Ų104.559%0.59150%0.504SS*.Hα-helixtrans-67.7-37.1177.8-168.8175.8-174175.40112E152 R153 K160E152-K156 WeakPolarHBondContact O-CB 3.48Å; E152-K156 PolarHBondContact O-N 3.25Å; R153-K156 PolarHBondContact O-N 2.92Å; R153-K156 VanDerWaalsContact O-N 3.16Å; K156-K160 WeakPolarHBondContact O-CG 3.4Å; K156-K160 PolarHBondContact O-N 3Å
157E92.7Very high91.5Very high111 Ų111109.2 Ų109.252%0.51952%0.518SS..Hα-helixtrans-70.8-45.3176.1-73.4-178.9-172.900112.1R153 D154 M159 K160 Q161R153-E157 PolarHBondContact O-N 3.07Å; D154-E157 PolarHBondContact O-N 3.16Å; E157-M159 VanDerWaalsContact C-N 3.29Å; E157-M159 PolarHBondContact O-N 2.86Å; E157-K160 PolarHBondContact O-N 2.69Å; E157-Q161 WeakPolarHBondContact O-CB 3.4Å; E157-Q161 PolarHBondContact O-N 3.14Å
158Q91.7Very high91.2Very high112 Ų112111.9 Ų111.952%0.52353%0.526SS..Hα-helixtrans-60-39.6173.9-73-177.730.700112D154 Q161 R162D154-Q158 WeakPolarHBondContact O-CB 3.49Å; D154-Q158 WeakPolarHBondContact O-CG 3.25Å; D154-Q158 PolarHBondContact O-N 2.87Å; Q158-Q161 PolarHBondContact O-N 3.05Å; Q158-R162 WeakPolarHBondContact O-CB 3.41Å; Q158-R162 WeakPolarHBondContact O-CG 3.32Å; Q158-R162 PolarHBondContact O-N 3.25Å
159M87.8Confident90.8Very high139 Ų139110.3 Ų110.369%0.68553%0.529SS*.Hα-helixtrans-62.9-46.5175.1-174-168.5-67.700111.7A155 E157 A163A155-M159 WeakPolarHBondContact O-CB 3.16Å; A155-M159 PolarHBondContact O-N 2.94Å; E157-M159 VanDerWaalsContact C-N 3.29Å; E157-M159 PolarHBondContact O-N 2.86Å; M159-A163 VanDerWaalsContact O-CB 3.26Å; M159-A163 WeakPolarHBondContact O-CB 3.46Å; M159-A163 PolarHBondContact O-N 3.22Å
160K93.5Very high90.2Very high110 Ų110112.9 Ų112.948%0.47853%0.533SS..Hα-helixtrans-63.6-41.7177.4-77176.6179.9179.90112K156 E157 A163 R164K156-K160 WeakPolarHBondContact O-CG 3.4Å; K156-K160 PolarHBondContact O-N 3Å; E157-K160 PolarHBondContact O-N 2.69Å; K160-A163 PolarHBondContact O-N 3.34Å; K160-R164 WeakPolarHBondContact O-CG 3.29Å; K160-R164 PolarHBondContact O-N 3.09Å
161Q90.4Very high89.5Confident89 Ų89114.6 Ų114.642%0.41654%0.541SS..Hα-helixtrans-65.5-49.6179.8-175.260.915.300110.9E157 Q158 A163 R164 E165E157-Q161 WeakPolarHBondContact O-CB 3.4Å; E157-Q161 PolarHBondContact O-N 3.14Å; Q158-Q161 PolarHBondContact O-N 3.05Å; Q161-A163 VanDerWaalsContact C-N 3.3Å; Q161-A163 PolarHBondContact O-N 3.22Å; Q161-R164 PolarHBondContact O-N 2.93Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.34Å; Q161-E165 PolarHBondContact NE2-OE1 2.99Å; Q161-E165 WeakPolarHBondContact O-CB 3.23Å; Q161-E165 WeakPolarHBondContact O-CG 3.49Å; Q161-E165 PolarHBondContact O-N 3.47Å
162R90.4Very high88.8Confident175 Ų175112.9 Ų112.966%0.6654%0.535SS*.Hα-helixtrans-60.7-37.3174.9-72.4-175.2-175.61755.2112.5Q158 L166Q158-R162 WeakPolarHBondContact O-CB 3.41Å; Q158-R162 WeakPolarHBondContact O-CG 3.32Å; Q158-R162 PolarHBondContact O-N 3.25Å; R162-L166 VanDerWaalsContact O-CB 3.28Å; R162-L166 WeakPolarHBondContact O-CB 3.44Å; R162-L166 PolarHBondContact O-N 3.38Å
163A89.9Confident87.9Confident57 Ų57110.5 Ų110.547%0.47154%0.535SS..Hα-helixtrans-65.6-42.2176.500000112.3M159 K160 Q161 Q167M159-A163 VanDerWaalsContact O-CB 3.26Å; M159-A163 WeakPolarHBondContact O-CB 3.46Å; M159-A163 PolarHBondContact O-N 3.22Å; K160-A163 PolarHBondContact O-N 3.34Å; Q161-A163 VanDerWaalsContact C-N 3.3Å; Q161-A163 PolarHBondContact O-N 3.22Å; A163-Q167 WeakPolarHBondContact O-CB 3.4Å; A163-Q167 PolarHBondContact O-N 3Å
164R91.1Very high86.7Confident143 Ų143106.8 Ų106.854%0.5454%0.537SS..Hα-helixtrans-65.7-44.2174.7-72.7179.4-164.1157.90.1111.7K160 Q161 Q167 Q168K160-R164 WeakPolarHBondContact O-CG 3.29Å; K160-R164 PolarHBondContact O-N 3.09Å; Q161-R164 PolarHBondContact O-N 2.93Å; R164-Q167 PolarHBondContact O-N 3.31Å; R164-Q168 WeakPolarHBondContact O-CB 3.26Å; R164-Q168 WeakPolarHBondContact O-CG 3.43Å; R164-Q168 PolarHBondContact O-N 3.43Å
165E88.1Confident85.3Confident95 Ų95110.7 Ų110.744%0.44455%0.55SS.*Hα-helixtrans-61.6-43.7177-74.5171.2-172.400111.3Q161 Q167 Q168 A169Q161-E165 WeakPolarHBondContact CG-OE1 3.34Å; Q161-E165 PolarHBondContact NE2-OE1 2.99Å; Q161-E165 WeakPolarHBondContact O-CB 3.23Å; Q161-E165 WeakPolarHBondContact O-CG 3.49Å; Q161-E165 PolarHBondContact O-N 3.47Å; E165-Q167 VanDerWaalsContact C-N 3.32Å; E165-Q167 PolarHBondContact O-N 2.92Å; E165-Q168 PolarHBondContact O-N 3.3Å; E165-A169 VanDerWaalsContact O-CB 3.22Å; E165-A169 WeakPolarHBondContact O-CB 3.5Å; E165-A169 PolarHBondContact O-N 2.96Å
166L85.3Confident83.7Confident104 Ų104118.1 Ų118.155%0.54557%0.566SS.*Hα-helixtrans-64.5-37.1176.1-162.280.9000111.8R162 R170R162-L166 VanDerWaalsContact O-CB 3.28Å; R162-L166 WeakPolarHBondContact O-CB 3.44Å; R162-L166 PolarHBondContact O-N 3.38Å; L166-R170 WeakPolarHBondContact O-CB 3.4Å; L166-R170 VanDerWaalsContact O-CG 3.32Å; L166-R170 WeakPolarHBondContact O-CG 3.42Å; L166-R170 PolarHBondContact O-N 2.81Å
167Q85.7Confident81.7Confident143 Ų143116.1 Ų116.167%0.66857%0.569SS**Hα-helixtrans-71-41.5176.8-170.4175.715.900112.1A163 R164 E165 R170 L171A163-Q167 WeakPolarHBondContact O-CB 3.4Å; A163-Q167 PolarHBondContact O-N 3Å; R164-Q167 PolarHBondContact O-N 3.31Å; E165-Q167 VanDerWaalsContact C-N 3.32Å; E165-Q167 PolarHBondContact O-N 2.92Å; Q167-R170 PolarHBondContact O-N 3.02Å; Q167-L171 WeakPolarHBondContact O-CB 3.24Å; Q167-L171 PolarHBondContact O-N 2.86Å
168Q85.6Confident79.1Confident119 Ų119113.7 Ų113.756%0.55657%0.574SS**Hα-helixtrans-66-44.9174.9-75.5179.8-5.600111.1R164 E165 R170 L171 E172R164-Q168 WeakPolarHBondContact O-CB 3.26Å; R164-Q168 WeakPolarHBondContact O-CG 3.43Å; R164-Q168 PolarHBondContact O-N 3.43Å; E165-Q168 PolarHBondContact O-N 3.3Å; Q168-R170 VanDerWaalsContact C-N 3.3Å; Q168-R170 PolarHBondContact O-N 3.49Å; Q168-L171 CarbonylContact O-C 3.58Å; Q168-L171 PolarHBondContact O-N 2.91Å; Q168-L171 VanDerWaalsContact O-N 3.07Å; Q168-E172 WeakPolarHBondContact O-CB 3.43Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 3.01Å
169A85.2Confident76.5Confident55 Ų55111.7 Ų111.746%0.45558%0.583SS.*Hα-helixtrans-60.6-38.6174.900000112E165 A173E165-A169 VanDerWaalsContact O-CB 3.22Å; E165-A169 WeakPolarHBondContact O-CB 3.5Å; E165-A169 PolarHBondContact O-N 2.96Å; A169-A173 WeakPolarHBondContact O-CB 3.14Å; A169-A173 PolarHBondContact O-N 3.27Å
170R81.5Confident74.3Confident189 Ų189112.9 Ų112.971%0.71359%0.589SS**Hα-helixtrans-64.5-40.9172-81.2-178.8174.9173.90.1112.4L166 Q167 Q168 G174L166-R170 WeakPolarHBondContact O-CB 3.4Å; L166-R170 VanDerWaalsContact O-CG 3.32Å; L166-R170 WeakPolarHBondContact O-CG 3.42Å; L166-R170 PolarHBondContact O-N 2.81Å; Q167-R170 PolarHBondContact O-N 3.02Å; Q168-R170 VanDerWaalsContact C-N 3.3Å; Q168-R170 PolarHBondContact O-N 3.49Å; R170-G174 PolarHBondContact O-N 2.78Å
171L78.9Confident71.9Confident105 Ų105114.3 Ų114.355%0.5560%0.602SS.*Hα-helixtrans-69.4-40.3178.2-160.491000111.8Q167 Q168 G174 K175Q167-L171 WeakPolarHBondContact O-CB 3.24Å; Q167-L171 PolarHBondContact O-N 2.86Å; Q168-L171 CarbonylContact O-C 3.58Å; Q168-L171 PolarHBondContact O-N 2.91Å; Q168-L171 VanDerWaalsContact O-N 3.07Å; L171-G174 CarbonylContact O-C 3.56Å; L171-G174 PolarHBondContact O-N 3.45Å; L171-K175 WeakPolarHBondContact O-CG 3.03Å; L171-K175 PolarHBondContact O-N 3.17Å
172E77.6Confident69.5Low108 Ų108117.3 Ų117.351%0.50562%0.62SS.*Hα-helixtrans-72.3-37.9178.5-73.2-173.5178.700112.3Q168 G174 K175 R176Q168-E172 WeakPolarHBondContact O-CB 3.43Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 3.01Å; E172-G174 VanDerWaalsContact C-N 3.27Å; E172-G174 PolarHBondContact O-N 2.99Å; E172-K175 PolarHBondContact O-N 2.73Å; E172-R176 WeakPolarHBondContact O-CB 3.46Å; E172-R176 WeakPolarHBondContact O-CG 3.28Å; E172-R176 PolarHBondContact O-N 3.44Å
173A75Confident67.1Low66 Ų66114.1 Ų114.155%0.54563%0.625SS.*Hα-helixtrans-62.1-38.1169.300000111.1A169 S177A169-A173 WeakPolarHBondContact O-CB 3.14Å; A169-A173 PolarHBondContact O-N 3.27Å; A173-S177 WeakPolarHBondContact O-CB 2.91Å; A173-S177 PolarHBondContact O-N 3.37Å
174G69.3Low64.9Low51 Ų51114.7 Ų114.753%0.52664%0.636SS.*Hα-helixtrans-68.1-29.8172.800000114.3R170 L171 E172R170-G174 PolarHBondContact O-N 2.78Å; L171-G174 CarbonylContact O-C 3.56Å; L171-G174 PolarHBondContact O-N 3.45Å; E172-G174 VanDerWaalsContact C-N 3.27Å; E172-G174 PolarHBondContact O-N 2.99Å
175K64.5Low62.7Low159 Ų159117.5 Ų117.569%0.69165%0.652SS**Hα-helixtrans-86.2-30.1177.3-75.9-177.5178.8-176.90113.8L171 E172L171-K175 WeakPolarHBondContact O-CG 3.03Å; L171-K175 PolarHBondContact O-N 3.17Å; E172-K175 PolarHBondContact O-N 2.73Å
176R58.4Low60.3Low215 Ų215117.1 Ų117.181%0.81166%0.66SS**Hα-helixtrans-79.3-21.1173.7-71.5-176179.8-1753112.4E172 G178E172-R176 WeakPolarHBondContact O-CB 3.46Å; E172-R176 WeakPolarHBondContact O-CG 3.28Å; E172-R176 PolarHBondContact O-N 3.44Å; R176-G178 PolarHBondContact O-N 3.03Å
177S52.2Low58.2Low93 Ų93118.7 Ų118.765%0.6567%0.669SS**SBendtrans-75.768.6156.1-1680000108.8A173 G179A173-S177 WeakPolarHBondContact O-CB 2.91Å; A173-S177 PolarHBondContact O-N 3.37Å; S177-G179 PolarHBondContact O-N 3.31Å
178G39.3Very low56.4Low60 Ų60123.7 Ų123.762%0.61968%0.684SS**  trans-58.2124.9170.200000109.9R176R176-G178 PolarHBondContact O-N 3.03Å
179G36.9Very low54.3Low70 Ų70129.6 Ų129.672%0.72270%0.701SS**  trans56.984.3142.700000116.8S177S177-G179 PolarHBondContact O-N 3.31Å
180M41.5Very low52.2Low165 Ų165130.9 Ų130.981%0.81372%0.72SS**  trans-148.1109146.2-141.170.9156.600107.6
181N42.6Very low50.3Low139 Ų139125.9 Ų125.974%0.74373%0.727SS**  38.8134124.3-61.8-18.4000116.6
182L41.6Very low48.5Very low153 Ų153131.5 Ų131.580%0.80175%0.747SS**  cis170.5137.121.1163.269.8000104.4
183S38.1Very low46.8Very low108 Ų108129.7 Ų129.776%0.75576%0.757SS**  trans51.6114149.1-175.30000120.3
184G44.2Very low45.2Very low68 Ų68136.3 Ų136.370%0.70178%0.779SS**  trans177.291.8155.100000113.7
185F44.4Very low43.8Very low202 Ų202137.7 Ų137.789%0.88679%0.793SS**  trans26.3138.1138.1-82.6-105.6000118.3
186S38.7Very low42.6Very low88 Ų88133.3 Ų133.362%0.61579%0.794SS**  cis177.7137.88.6170.60000106.3
187N41.9Very low41.7Very low137 Ų137131.3 Ų131.373%0.73380%0.798SS**  trans17.7118.1148-60.3-13000119.4
188Y46.8Very low41.1Very low247 Ų247132.3 Ų132.397%0.96981%0.805SS**  -141.3112.3120.5-102.3-80.7000110.2
189R42.4Very low41.1Very low243 Ų243136.2 Ų136.292%0.91781%0.812SS**  trans-105130.9175.4180-169.7-168.5-1674.5105.7
190G39.5Very low41.5Very low83 Ų83140.6 Ų140.686%0.85682%0.819SS**  trans134.8121.2160.500000114.6
191G42.4Very low41.6Very low83 Ų83139.1 Ų139.186%0.85681%0.813SS**  trans158.460.2167.900000115.3
192K41.6Very low41.5Very low224 Ų224139.9 Ų139.997%0.97482%0.818SS**  trans-71.7137.6156.9-103-175.9169.7-175.70108.6
193G41.9Very low41.6Very low70 Ų70139.7 Ų139.772%0.72281%0.812SS**  trans161.995.7166.300000108.4
194M40.7Very low41.8Very low205 Ų205140.9 Ų140.9100%1.0182%0.817SS**  56.396.869.1-157.181.9136.800112.1
195G40.7Very low41.8Very low79 Ų79147.7 Ų147.781%0.81482%0.822SS**  trans160.8107.6172.300000107.9
196G38.5Very low41.7Very low68 Ų68144.5 Ų144.570%0.70182%0.819SS**  cis111.790.219.200000109.7
197L39.9Very low41.8Very low173 Ų173147.3 Ų147.391%0.90683%0.825SS**  trans55.9121.7152.5-64.9104.9000121.6
198S39.6Very low41.9Very low114 Ų114146.9 Ų146.980%0.79783%0.828SS**  -178.595.1120.852.10000108
199N40.3Very low41.8Very low142 Ų142140.8 Ų140.876%0.75982%0.816SS**  45.4105.298.1-112.829.1000114.3
200D44.5Very low41.7Very low162 Ų162137 Ų13787%0.86681%0.806SS**  -155.6135.1116-132.4-14.7000112.1
201L43.4Very low41.7Very low134 Ų134140.1 Ų140.170%0.70280%0.803SS**  trans-88.7134.6-179.7-73.2118.6000109.6
202N40.3Very low41.6Very low155 Ų155146 Ų14683%0.82980%0.8SS**  176136.6120.8-103.6-20.4000113.7
203E43.5Very low41.6Very low148 Ų148143.5 Ų143.569%0.69280%0.796SS**  trans70.2117.5162-67-168.5155.400120.8R205E203-R205 PolarHBondContact O-N 2.8Å
204P42.9Very low41.5Very low133 Ų133143.6 Ų143.686%0.86480%0.797SS**  trans-84.5107.8160.932.9-25000109.6
205R43.8Very low41.4Very low212 Ų212142.2 Ų142.280%0.879%0.793SS**  trans-85.2124.3162.6-74.8-175174.2-160.8-2.7109.8E203 I207E203-R205 PolarHBondContact O-N 2.8Å; R205-I207 PolarHBondContact O-N 2.95Å
206V42.2Very low41.4Very low135 Ų135142 Ų14282%0.81879%0.791SS**  trans-63.2120.7171176.30000109.4
207I41Very low41.4Very low146 Ų146145.4 Ų145.475%0.74979%0.794SS**  trans-91.6114171.1-62.5173.8000107.7R205 V209R205-I207 PolarHBondContact O-N 2.95Å; I207-V209 PolarHBondContact O-N 3.43Å
208V45.1Very low41.4Very low129 Ų129142.2 Ų142.278%0.78278%0.781SS**  trans-75.4112.2168.2178.90000108.2K210V208-K210 PolarHBondContact O-N 3.05Å
209V43.3Very low41.3Very low119 Ų119143.2 Ų143.272%0.72178%0.778SS**  trans-81113.4172.5-179.30000108.6I207I207-V209 PolarHBondContact O-N 3.43Å
210K40.4Very low41.5Very low162 Ų162142.3 Ų142.370%0.70477%0.772SS**  trans-90.6105.7170.9-177.7176.5-170.6163.60108.2V208 R212V208-K210 PolarHBondContact O-N 3.05Å; K210-R212 PolarHBondContact O-N 3.31Å
211D39.8Very low41.5Very low150 Ų150143.1 Ų143.180%0.80277%0.77SS**  trans-71.1122.8171.1-100.9-17.8000110.5
212R40.3Very low41.3Very low207 Ų207142 Ų14278%0.78177%0.774SS**  trans-121.2116.6168.5-81-179.5166.6178.1-2.8107.1K210K210-R212 PolarHBondContact O-N 3.31Å
213L42.1Very low41.3Very low170 Ų170142.3 Ų142.389%0.8977%0.774SS**  trans-135114157.5-67.4168.7000103.8
214G38.8Very low41Very low72 Ų72140.1 Ų140.174%0.74277%0.773SS**  107.889.17100000105.6
215D40Very low40.7Very low176 Ų176139.2 Ų139.294%0.94177%0.765SS**  55.4123.5102.8-157.417.6000114.5
216G40.4Very low40.5Very low75 Ų75134.8 Ų134.877%0.77376%0.762SS**  trans163.989.7-173.900000113.3
217N38Very low40.3Very low140 Ų140135 Ų13575%0.74976%0.758SS**  trans-70.2173.1-170.7-164.620.3000116.3
218T39.4Very low39.8Very low105 Ų105134.1 Ų134.164%0.64476%0.76SS**  trans95.999.8158.670.50000120.2
219D38.2Very low39.4Very low135 Ų135132.1 Ų132.172%0.72276%0.757SS**  54.5141.1112-67.8-13.1000120.1
220I43.6Very low39Very low123 Ų123132.7 Ų132.763%0.63176%0.761SS**  cis-173.2146.510.1-105.9163.4000107
221Q44.4Very low38.9Very low180 Ų180132.1 Ų132.184%0.84176%0.764SS**  trans50.4142.9152.8-75.4162.6-20.900120.8
222S40.2Very low38.5Very low110 Ų110133.8 Ų133.877%0.76977%0.772SS**  cis-165146.822.440.20000111.1
223L40Very low38.5Very low161 Ų161127.3 Ų127.384%0.84376%0.763SS**  trans-64.3177.9167.7-83.690.1000112.5
224P38.2Very low38.2Very low102 Ų102124 Ų12466%0.66275%0.754SS**  cis-149.1167.523.142.7-20.9000119.6
225T36.2Very low38.2Very low115 Ų115127.5 Ų127.571%0.70676%0.76SS**  trans40.8133.9141.9590000119.9
226T38.3Very low38.1Very low119 Ų119128.4 Ų128.473%0.7376%0.756SS**  -177.914356-21.70000110.8
227N38Very low38.2Very low138 Ų138136.6 Ų136.674%0.73876%0.764SS**  trans53.8118.9143.7-78.41000125
228T32.2Very low38.2Very low128 Ų128136.3 Ų136.379%0.78577%0.772SS**  85.4121126.456.10000121.5
229A35.8Very low38.2Very low88 Ų88134.6 Ų134.673%0.72778%0.776SS**  trans92117.4143.700000118.6
230T35.1Very low38.8Very low130 Ų130137.2 Ų137.280%0.79879%0.786SS**  trans74.3133.8157.922.80000118.6
231I37.1Very low38.7Very low151 Ų151140.3 Ų140.377%0.77480%0.798SS**  trans90.7105.2164.3-52.3157000115.5A233I231-A233 HydrophobicContact CG2-CB 4.36Å
232L33.2Very low38.8Very low185 Ų185139.8 Ų139.897%0.96980%0.8SS**  trans-114.693.4155-84.6167.2000108.8
233A39.7Very low38.7Very low71 Ų71138.1 Ų138.159%0.58780%0.8SS**  trans-83.5134.9159.500000109.4I231I231-A233 HydrophobicContact CG2-CB 4.36Å
234S36.5Very low38.4Very low101 Ų101134.5 Ų134.571%0.70680%0.802SS**  trans43111.3145.764.40000120.1
235V37.9Very low38.4Very low144 Ų144133.3 Ų133.387%0.87381%0.808SS**  trans-126.3116138177.20000108.5
236K37.9Very low38.3Very low196 Ų196137.7 Ų137.785%0.85282%0.821SS**  trans-70.7133.4176.9-68.9172.8174.21760110.3
237R42.9Very low38.2Very low247 Ų247134.4 Ų134.493%0.93281%0.81SS**  trans-128.9124.9149.1-83-169.4-83.8-159.8-3.8108.7
238S36.4Very low38.5Very low133 Ų133131.1 Ų131.193%0.9381%0.809SS**  trans-67.9133.3-172.6-172.80000111.7
239G40.8Very low39.3Very low70 Ų70132.8 Ų132.872%0.72281%0.812SS**  trans-161.4130.5172.600000109
240M51Low40.1Very low189 Ų189136.4 Ų136.493%0.93181%0.811SS**  trans-65.5130.4-157.4-153.3150.993.500114.4
241Q41.7Very low41.1Very low189 Ų189133.5 Ų133.588%0.88380%0.796SS**  trans-68.5133.6171.5-100.4172-46.300111.6
242L46.3Very low42.4Very low168 Ų168131.7 Ų131.788%0.8879%0.787SS**  trans-125.7115.1153.2-86.5162.7000107.8
243G37Very low44.3Very low75 Ų75127.3 Ų127.377%0.77377%0.765SS**  trans-57.7148.3166.800000110
244G34.9Very low46Very low86 Ų86129.5 Ų129.589%0.88776%0.763SS**  96107.564.700000107.7
245G36.8Very low47.8Very low77 Ų77130.8 Ų130.879%0.79476%0.756SS**  trans139.4107.6169.300000115.5
246Q35.4Very low49.8Very low207 Ų207125.1 Ų125.197%0.96772%0.722SS**  trans-11.6131.8152.5-67.9167.6-33.200116.7
247G36.4Very low51.7Low49 Ų49120.7 Ų120.751%0.50571%0.707SS.*  trans169.23.9164.400000120.4L249 K250G247-L249 VanDerWaalsContact C-N 3.25Å; G247-L249 PolarHBondContact O-N 3.18Å; G247-K250 PolarHBondContact O-N 2.86Å; G247-K250 VanDerWaalsContact O-N 3.09Å
248G44.6Very low53.4Low69 Ų69116.7 Ų116.771%0.71169%0.692SS**THydrogen-bonded Turntrans-60.7-13-165.400000118.8
249L47Very low55.3Low163 Ų163112.5 Ų112.585%0.85366%0.659SS**THydrogen-bonded Turntrans-101.2-14.9176.1-86124.6000114.3G247G247-L249 VanDerWaalsContact C-N 3.25Å; G247-L249 PolarHBondContact O-N 3.18Å
250K53.2Low57Low164 Ų164114.1 Ų114.171%0.71365%0.646SS**Hα-helixtrans-89-7.7-178.5-71.9-175.2177.2-1800114G247 Q254G247-K250 PolarHBondContact O-N 2.86Å; G247-K250 VanDerWaalsContact O-N 3.09Å; K250-Q254 WeakPolarHBondContact O-CG 3.35Å
251S56.7Low58.4Low69 Ų69109.2 Ų109.248%0.48364%0.636SS.*Hα-helixtrans-80.8-29.8-177.3630000113.5F255S251-F255 WeakPolarHBondContact O-CB 3.31Å; S251-F255 PolarHBondContact O-N 2.86Å; S251-F255 VanDerWaalsContact O-N 3.08Å
252I63.9Low59.9Low113 Ų113107.8 Ų107.858%0.57963%0.629SS**Hα-helixtrans-73-44179.6-81.1161.8000111.3Q254 F255 V256I252-Q254 VanDerWaalsContact C-N 3.32Å; I252-Q254 PolarHBondContact O-N 2.88Å; I252-F255 WeakPolarHBondContact O-CB 3.39Å; I252-F255 PolarHBondContact O-N 2.87Å; I252-F255 VanDerWaalsContact O-N 3.12Å; I252-V256 WeakPolarHBondContact O-CG2 3.34Å; I252-V256 PolarHBondContact O-N 2.99Å
253D73.6Confident60Low94 Ų94102.9 Ų102.950%0.50362%0.619SS.*Hα-helixtrans-65.1-35.7175.8-72.9-27.4000112.4F255 N257D253-F255 VanDerWaalsContact C-N 3.32Å; D253-N257 VanDerWaalsContact O-CB 3.25Å; D253-N257 WeakPolarHBondContact O-CB 3.49Å; D253-N257 VanDerWaalsContact O-CG 3.24Å; D253-N257 PolarHBondContact O-N 3.46Å; D253-N257 PolarHBondContact O-ND2 3.35Å
254Q75.6Confident60.9Low116 Ų116105.2 Ų105.254%0.54261%0.61SS.*Hα-helixtrans-67.9-32.2173.6-76.4-173.715.900112.6K250 I252 R258K250-Q254 WeakPolarHBondContact O-CG 3.35Å; I252-Q254 VanDerWaalsContact C-N 3.32Å; I252-Q254 PolarHBondContact O-N 2.88Å; Q254-R258 WeakPolarHBondContact O-CG 3.39Å; Q254-R258 PolarHBondContact O-N 2.98Å; Q254-R258 VanDerWaalsContact O-N 3.14Å
255F74.6Confident61.9Low128 Ų128107.8 Ų107.856%0.56161%0.608SS**Hα-helixtrans-71.9-46.4176.3-176.3-103.5000111.7S251 I252 D253 N257 R258 L259S251-F255 WeakPolarHBondContact O-CB 3.31Å; S251-F255 PolarHBondContact O-N 2.86Å; S251-F255 VanDerWaalsContact O-N 3.08Å; I252-F255 WeakPolarHBondContact O-CB 3.39Å; I252-F255 PolarHBondContact O-N 2.87Å; I252-F255 VanDerWaalsContact O-N 3.12Å; D253-F255 VanDerWaalsContact C-N 3.32Å; F255-N257 VanDerWaalsContact C-N 3.31Å; F255-N257 PolarHBondContact O-N 3.36Å; F255-R258 PolarHBondContact O-N 2.91Å; F255-R258 VanDerWaalsContact O-N 3.12Å; F255-L259 HydrophobicContact CD1-CD1 3.97Å; F255-L259 HydrophobicContact CE1-CD1 3.49Å; F255-L259 VanDerWaalsContact CE1-CD1 3.49Å; F255-L259 HydrophobicContact CE1-CG 4.41Å; F255-L259 HydrophobicContact CZ-CD1 3.97Å; F255-L259 PolarHBondContact O-N 2.56Å; F255-L259 VanDerWaalsContact O-N 3.07Å
256V78.3Confident62.7Low26 Ų26107 Ų10716%0.15859%0.588CS.*Hα-helixtrans-63.8-37.3176.3177.10000111.2I252 R258 L259 K260 M271I252-V256 WeakPolarHBondContact O-CG2 3.34Å; I252-V256 PolarHBondContact O-N 2.99Å; V256-R258 VanDerWaalsContact C-N 3.33Å; V256-R258 PolarHBondContact O-N 2.94Å; V256-L259 PolarHBondContact O-N 3.18Å; V256-K260 PolarHBondContact O-N 2.85Å; V256-M271 HydrophobicContact CG1-CE 4.45Å; V256-M271 HydrophobicContact CG2-CE 4.23Å
257N79.1Confident63.5Low102 Ų102102 Ų10255%0.54557%0.568SS.*Hα-helixtrans-67.6-30.2174.4-77.9-34.5000113.3D253 F255 A261D253-N257 VanDerWaalsContact O-CB 3.25Å; D253-N257 WeakPolarHBondContact O-CB 3.49Å; D253-N257 VanDerWaalsContact O-CG 3.24Å; D253-N257 PolarHBondContact O-N 3.46Å; D253-N257 PolarHBondContact O-ND2 3.35Å; F255-N257 VanDerWaalsContact C-N 3.31Å; F255-N257 PolarHBondContact O-N 3.36Å; N257-A261 WeakPolarHBondContact O-CB 3.45Å; N257-A261 PolarHBondContact O-N 2.87Å
258R79.2Confident64.3Low164 Ų164105.9 Ų105.962%0.61957%0.573SS**Hα-helixtrans-70.4-41172.3-77.8178.9-171.21734.9112Q254 F255 V256 K260 A261 E262Q254-R258 WeakPolarHBondContact O-CG 3.39Å; Q254-R258 PolarHBondContact O-N 2.98Å; Q254-R258 VanDerWaalsContact O-N 3.14Å; F255-R258 PolarHBondContact O-N 2.91Å; F255-R258 VanDerWaalsContact O-N 3.12Å; V256-R258 VanDerWaalsContact C-N 3.33Å; V256-R258 PolarHBondContact O-N 2.94Å; R258-K260 VanDerWaalsContact C-N 3.35Å; R258-K260 PolarHBondContact O-N 2.77Å; R258-A261 PolarHBondContact O-N 3.49Å; R258-A261 VanDerWaalsContact O-N 3.13Å; R258-E262 PolarHBondContact O-N 2.96Å
259L74.8Confident64.5Low45 Ų45107.4 Ų107.424%0.23657%0.565CS.*Hα-helixtrans-63.2-40174.3-74.8166.7000112.1F255 V256 A261 E262 E264 V266F255-L259 HydrophobicContact CD1-CD1 3.97Å; F255-L259 HydrophobicContact CE1-CD1 3.49Å; F255-L259 VanDerWaalsContact CE1-CD1 3.49Å; F255-L259 HydrophobicContact CE1-CG 4.41Å; F255-L259 HydrophobicContact CZ-CD1 3.97Å; F255-L259 PolarHBondContact O-N 2.56Å; F255-L259 VanDerWaalsContact O-N 3.07Å; V256-L259 PolarHBondContact O-N 3.18Å; L259-A261 VanDerWaalsContact C-N 3.33Å; L259-A261 PolarHBondContact O-N 3.26Å; L259-E262 PolarHBondContact O-N 3.13Å; L259-E264 WeakPolarHBondContact CD2-OE2 3.39Å; L259-E264 PolarHBondContact O-N 2.76Å; L259-V266 HydrophobicContact CB-CG2 4.17Å
260K77.7Confident64.8Low103 Ų103104 Ų10445%0.44855%0.551SS.*Hα-helixtrans-64.9-35172.3-74.6-176.8177.2-1780112.3V256 R258 G263 E268V256-K260 PolarHBondContact O-N 2.85Å; R258-K260 VanDerWaalsContact C-N 3.35Å; R258-K260 PolarHBondContact O-N 2.77Å; K260-G263 PolarHBondContact O-N 2.81Å; K260-E268 IonicContact NZ-OE1 2.8Å
261A79.3Confident64.5Low87 Ų87100.3 Ų100.372%0.71954%0.537SS*.Hα-helixtrans-74.4-25.7177.200000113.6N257 R258 L259 G263N257-A261 WeakPolarHBondContact O-CB 3.45Å; N257-A261 PolarHBondContact O-N 2.87Å; R258-A261 PolarHBondContact O-N 3.49Å; R258-A261 VanDerWaalsContact O-N 3.13Å; L259-A261 VanDerWaalsContact C-N 3.33Å; L259-A261 PolarHBondContact O-N 3.26Å; A261-G263 VanDerWaalsContact C-N 3.25Å; A261-G263 PolarHBondContact O-N 3.22Å
262E73.4Confident64.1Low158 Ų158104.6 Ų104.674%0.73855%0.547SS*.THydrogen-bonded Turntrans-83.94.4175.7-72.9-178.2-176.300113.5R258 L259R258-E262 PolarHBondContact O-N 2.96Å; L259-E262 PolarHBondContact O-N 3.13Å
263G48.6Very low63.2Low65 Ų65106.5 Ų106.567%0.6756%0.557SS**THydrogen-bonded Turntrans82.514.9172.900000114.6K260 A261K260-G263 PolarHBondContact O-N 2.81Å; A261-G263 VanDerWaalsContact C-N 3.25Å; A261-G263 PolarHBondContact O-N 3.22Å
264E56.1Low62.2Low125 Ų125108 Ų10858%0.58457%0.57SS**  trans-88126.2179.3-146.7158.6-165.100110.4L259 V266L259-E264 WeakPolarHBondContact CD2-OE2 3.39Å; L259-E264 PolarHBondContact O-N 2.76Å; E264-V266 PolarHBondContact O-N 2.86Å
265V56.1Low60.7Low140 Ų140106 Ų10685%0.84857%0.568SS**  trans-77.195.7-178.2-176.50000108.7N267V265-N267 PolarHBondContact O-N 2.88Å
266V52.1Low58.7Low59 Ų59103.9 Ų103.936%0.35858%0.583SS.*  trans-82.1108.1174-165.40000108.3L259 E264 E268L259-V266 HydrophobicContact CB-CG2 4.17Å; E264-V266 PolarHBondContact O-N 2.86Å; V266-E268 PolarHBondContact O-N 2.86Å
267N53.2Low56.8Low103 Ų103108.1 Ų108.155%0.55161%0.614SS**  trans-68.1119.1177.3-1469.1000109V265 D269 V270V265-N267 PolarHBondContact O-N 2.88Å; N267-D269 PolarHBondContact O-N 3.33Å; N267-V270 PolarHBondContact O-N 3.46Å; N267-V270 VanDerWaalsContact O-N 3.1Å
268E53.1Low54.7Low131 Ų131107.3 Ų107.361%0.61263%0.63SS**THydrogen-bonded Turntrans-61.2-17.3-175.3-69.9-149.1149.500113.4K260 V266 V270 M271 K272K260-E268 IonicContact NZ-OE1 2.8Å; V266-E268 PolarHBondContact O-N 2.86Å; E268-V270 VanDerWaalsContact C-N 3.25Å; E268-V270 PolarHBondContact O-N 2.87Å; E268-M271 WeakPolarHBondContact O-CB 3.42Å; E268-M271 PolarHBondContact O-N 3.25Å; E268-K272 PolarHBondContact O-N 3Å
269D49.1Very low52.5Low100 Ų100103 Ų10354%0.53564%0.636SS.*Hα-helixtrans-64.3-28175.9-63-31.5000113N267 M271 K272 L273N267-D269 PolarHBondContact O-N 3.33Å; D269-M271 VanDerWaalsContact C-N 3.28Å; D269-M271 PolarHBondContact O-N 3.47Å; D269-K272 PolarHBondContact O-N 2.83Å; D269-L273 PolarHBondContact O-N 2.86Å
270V52.4Low50.7Low93 Ų93105.6 Ų105.656%0.56466%0.664SS**Hα-helixtrans-71.6-27.6174.7-176.20000110.8N267 E268 V274N267-V270 PolarHBondContact O-N 3.46Å; N267-V270 VanDerWaalsContact O-N 3.1Å; E268-V270 VanDerWaalsContact C-N 3.25Å; E268-V270 PolarHBondContact O-N 2.87Å; V270-V274 WeakPolarHBondContact O-CG2 3.49Å
271M48Very low48.7Very low86 Ų86107.1 Ų107.142%0.42468%0.677SS.*Hα-helixtrans-74.8-26.9179-145160.8-173.600112.2V256 E268 D269 S275V256-M271 HydrophobicContact CG1-CE 4.45Å; V256-M271 HydrophobicContact CG2-CE 4.23Å; E268-M271 WeakPolarHBondContact O-CB 3.42Å; E268-M271 PolarHBondContact O-N 3.25Å; D269-M271 VanDerWaalsContact C-N 3.28Å; D269-M271 PolarHBondContact O-N 3.47Å; M271-S275 PolarHBondContact O-OG 3.08Å
272K47.5Very low46.7Very low159 Ų159109 Ų10969%0.69168%0.675SS**Hα-helixtrans-81.3-24.9174.6-84.4-178.8175.4177.20114.3E268 D269E268-K272 PolarHBondContact O-N 3Å; D269-K272 PolarHBondContact O-N 2.83Å
273L46.3Very low44.9Very low152 Ų152108.4 Ų108.480%0.79668%0.676SS**Hα-helixtrans-76.4-23.2179.1-75160.7000113.3D269D269-L273 PolarHBondContact O-N 2.86Å
274V52.1Low44.5Very low126 Ų126113.6 Ų113.676%0.76469%0.685SS**SBendtrans-97.7-4.8178-116.10000113.6V270V270-V274 WeakPolarHBondContact O-CG2 3.49Å
275S43.4Very low43.6Very low73 Ų73112.2 Ų112.251%0.5169%0.689SS.*SBendtrans-116.579.6174.948.80000109M271 S277M271-S275 PolarHBondContact O-OG 3.08Å; S275-S277 PolarHBondContact O-N 3.44Å
276G32.7Very low42.5Very low84 Ų84111 Ų11187%0.86668%0.682SS**  trans-55.997-171.500000114.1
277S38.1Very low41.5Very low116 Ų116115.2 Ų115.281%0.81170%0.703SS**  trans-159.5125.6153.795.60000110.1S275S275-S277 PolarHBondContact O-N 3.44Å
278G35.4Very low40.5Very low85 Ų85114.9 Ų114.988%0.87671%0.708SS**  trans114.4129.7177.600000111
279G33.2Very low39.5Very low74 Ų74115.8 Ų115.876%0.76372%0.723SS**  cis148.1134.41300000107.5
280A36.3Very low38.6Very low98 Ų98114.7 Ų114.781%0.8173%0.728SS**  trans68129.1174.100000115.2
281D36.4Very low37.9Very low136 Ų136114.5 Ų114.573%0.72772%0.723SS**  -170.4138.559.9-129.44000112.5
282N37.5Very low37.3Very low125 Ų125115.4 Ų115.467%0.66873%0.734SS**  trans64.6123.2136.3-72.8-29000124.4
283L36.1Very low36.9Very low147 Ų147112.1 Ų112.177%0.7772%0.721SS**  trans115.2103.6134.3-64.5135.9000119.3
284M40.2Very low36.7Very low174 Ų174114.1 Ų114.186%0.85772%0.723SS**  trans78.3122.6135.8-58.2-172.184.200121.2
285S36.8Very low36.8Very low96 Ų96111 Ų11167%0.67171%0.707SS**  trans106.698.2134.5-159.10000118.9
286T32.8Very low37.6Very low114 Ų114116.9 Ų116.970%0.69973%0.726SS**  77.7110.1129.859.30000121.6
287N31.8Very low39.7Very low148 Ų148115.6 Ų115.679%0.79170%0.701SS**  89.5109.1129.8-743.4000121.1
288S31.1Very low42Very low96 Ų96118.9 Ų118.967%0.67170%0.701SS**  trans79.680.7135.943.10000118.3
289T31.4Very low44.5Very low149 Ų149119.7 Ų119.791%0.91468%0.68SS**  trans174.892.6136.624.20000108.9
290A31.6Very low47.2Very low78 Ų78120.2 Ų120.265%0.64566%0.663SS**  trans164.6113.5155.600000111.6T292A290-T292 WeakPolarHBondContact CB-OG1 3.28Å
291L37.9Very low49.9Very low89 Ų89118.4 Ų118.447%0.46664%0.639SS.*  trans-9331.3151.3-85.1163.9000110.5Q293 N511L291-Q293 PolarHBondContact O-N 3Å; L291-N511 WeakPolarHBondContact CD1-OD1 3.48Å
292T34.5Very low52.6Low104 Ų104111.9 Ų111.964%0.63861%0.605SS**  trans-74.285.6155.946.60000106.8A290 K294A290-T292 WeakPolarHBondContact CB-OG1 3.28Å; T292-K294 PolarHBondContact O-N 3.16Å
293Q39.7Very low55.3Low91 Ų91106 Ų10643%0.42557%0.573SS.*  trans-47.1113.3161.9-81.1-179.6-9.100106.4L291 S295 E441L291-Q293 PolarHBondContact O-N 3Å; Q293-S295 PolarHBondContact O-N 3.14Å; Q293-E441 PolarHBondContact NE2-OE2 3.25Å; Q293-E441 VanDerWaalsContact NE2-OE2 3.16Å
294K42.7Very low58.1Low194 Ų19499 Ų9984%0.84354%0.537SS*.  trans-63.896.2165.2-85.5-179.9175.7176.50105.3T292 H296T292-K294 PolarHBondContact O-N 3.16Å; K294-H296 PolarHBondContact O-N 3.46Å
295S52.5Low60.7Low60 Ų6092.7 Ų92.742%0.4250%0.503SS..  trans-58.4126.8178.551.90000109.4Q293 V297 E540Q293-S295 PolarHBondContact O-N 3.14Å; S295-V297 PolarHBondContact O-N 2.98Å; S295-E540 WeakPolarHBondContact CB-OE2 3.47Å; S295-E540 PolarHBondContact OG-OE1 2.97Å; S295-E540 PolarHBondContact OG-OE2 2.8Å
296H60.1Low63.6Low196 Ų19688.1 Ų88.191%0.90747%0.471SS*.  trans-83.230.6176.5-84.6-87.2000111.9K294 K298K294-H296 PolarHBondContact O-N 3.46Å; H296-K298 PolarHBondContact O-N 2.99Å
297V78.7Confident66.6Low57 Ų5784.4 Ų84.435%0.34545%0.446SS..  trans-77.1120.5-177.2-179.70000109.4S295 K299 E540S295-V297 PolarHBondContact O-N 2.98Å; V297-K299 PolarHBondContact O-N 3.28Å; V297-K299 VanDerWaalsContact O-N 3.13Å; V297-E540 HydrophobicContact CG2-CB 4.19Å
298K85Confident69.7Low185 Ų18577.3 Ų77.380%0.80441%0.408SS*.  trans-66.3112.2173.2-176.5-177.3177-1730108.6H296 S538H296-K298 PolarHBondContact O-N 2.99Å; K298-S538 WeakPolarHBondContact O-CB 3.48Å
299K88Confident72.9Confident103 Ų10376 Ų7645%0.44839%0.39SS..  trans-73.3132.2-177.6-55-171.6170.8-172.10111.5V297 H303 I334 S538V297-K299 PolarHBondContact O-N 3.28Å; V297-K299 VanDerWaalsContact O-N 3.13Å; K299-H303 HydrophobicContact CB-CB 4.32Å; K299-H303 HydrophobicContact CD-CB 4.34Å; K299-H303 HydrophobicContact CG-CB 4.37Å; K299-I334 HydrophobicContact CB-CD1 3.35Å; K299-I334 HydrophobicContact CD-CD1 4.11Å; K299-I334 HydrophobicContact CG-CD1 4.34Å; K299-S538 WeakPolarHBondContact CA-OG 3.43Å
300E90.6Very high76Confident85 Ų8568.9 Ų68.940%0.39735%0.346SS..  trans-97.8-160.9177.5-63.6-165.2156.200112L302 I334 N536 F537 S538E300-L302 PolarHBondContact O-N 3.1Å; E300-I334 WeakPolarHBondContact O-CB 3.44Å; E300-I334 WeakPolarHBondContact O-CD1 3.5Å; E300-N536 VanDerWaalsContact OE2-C 3.27Å; E300-N536 WeakPolarHBondContact OE2-CB 3.35Å; E300-F537 VanDerWaalsContact OE2-C 3.26Å; E300-F537 PolarHBondContact OE2-N 3.5Å; E300-S538 PolarHBondContact N-OG 3.26Å; E300-S538 VanDerWaalsContact N-OG 3.15Å
301N91.9Very high79.2Confident59 Ų5967.1 Ų67.132%0.31633%0.326SS..SBendtrans-60.8-35.5-176.7-66.4-15.1000112.6I334 T335 A338 I535 N536N301-I334 WeakPolarHBondContact O-CB 2.8Å; N301-I334 PolarHBondContact O-N 2.76Å; N301-T335 HydrophobicContact CB-CG2 3.94Å; N301-T335 PolarHBondContact O-N 2.97Å; N301-T335 VanDerWaalsContact OD1-CG2 3.32Å; N301-T335 WeakPolarHBondContact OD1-CG2 3.47Å; N301-A338 WeakPolarHBondContact O-CB 3.27Å; N301-I535 HydrophobicContact CB-CD1 3.93Å; N301-I535 HydrophobicContact CB-CG1 3.9Å; N301-N536 PolarHBondContact N-O 2.85Å
302L93.4Very high82Confident0 Ų062.9 Ų62.90%030%0.303CS..EExtended strand (participates in β ladder)trans-122.6136.5170.3-179.767.4000108.4E300 L304 A331 A338 A341 I343 A526 I535 N536 F537 S538E300-L302 PolarHBondContact O-N 3.1Å; L302-L304 HydrophobicContact CD1-CD2 4.22Å; L302-L304 HydrophobicContact CD2-CD1 4.22Å; L302-L304 HydrophobicContact CD2-CD2 4.03Å; L302-L304 HydrophobicContact CD2-CG 4.22Å; L302-L304 HydrophobicContact CG-CD2 3.97Å; L302-L304 HydrophobicContact CG-CG 4.16Å; L302-A331 HydrophobicContact CD1-CB 4.47Å; L302-A338 HydrophobicContact CB-CB 4.25Å; L302-A338 HydrophobicContact CD1-CB 4.47Å; L302-A341 HydrophobicContact CD1-CB 4.46Å; L302-A341 HydrophobicContact CD2-CB 3.91Å; L302-I343 HydrophobicContact CD2-CD1 4.29Å; L302-I343 HydrophobicContact CD2-CG1 4.04Å; L302-A526 HydrophobicContact CD2-CB 3.86Å; L302-I535 HydrophobicContact CD2-CG2 4.42Å; L302-N536 PolarHBondContact N-O 3.4Å; L302-F537 HydrophobicContact CB-CB 3.88Å; L302-F537 HydrophobicContact CD2-CB 4.22Å; L302-F537 HydrophobicContact CG-CB 4.25Å; L302-F537 CarbonylContact O-C 3.52Å; L302-F537 WeakPolarHBondContact O-CA 3.5Å; L302-F537 WeakPolarHBondContact O-CB 3.2Å; L302-S538 PolarHBondContact O-N 3.09Å; L302-S538 PolarHBondContact O-OG 3.26Å
303H94.9Very high84.9Confident2 Ų261.2 Ų61.21%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-119.7126.6172.8179.668.6000109.6K299 Q332 I334 S538 E540K299-H303 HydrophobicContact CB-CB 4.32Å; K299-H303 HydrophobicContact CD-CB 4.34Å; K299-H303 HydrophobicContact CG-CB 4.37Å; H303-Q332 HydrophobicContact CB-CB 4.35Å; H303-Q332 PolarHBondContact N-O 2.82Å; H303-Q332 PolarHBondContact O-N 3.43Å; H303-I334 HydrophobicContact CB-CD1 4.27Å; H303-S538 WeakPolarHBondContact CA-O 3.4Å; H303-S538 WeakPolarHBondContact CB-OG 3.32Å; H303-S538 PolarHBondContact ND1-OG 3.46Å; H303-E540 IonicContact CE1-OE2 3.65Å; H303-E540 IonicContact NE2-OE1 2.77Å; H303-E540 IonicContact NE2-OE2 3.54Å
304L95.4Very high87.6Confident0 Ų057.2 Ų57.20%027%0.271CS..EExtended strand (participates in β ladder)trans-116.3131.4-177.9-58.5176.4000109.2L302 F330 A331 I343 I523 F537 S538 F539 E540L302-L304 HydrophobicContact CD1-CD2 4.22Å; L302-L304 HydrophobicContact CD2-CD1 4.22Å; L302-L304 HydrophobicContact CD2-CD2 4.03Å; L302-L304 HydrophobicContact CD2-CG 4.22Å; L302-L304 HydrophobicContact CG-CD2 3.97Å; L302-L304 HydrophobicContact CG-CG 4.16Å; L304-F330 WeakPolarHBondContact CA-O 3.49Å; L304-A331 HydrophobicContact CD2-CB 3.75Å; L304-I343 HydrophobicContact CD1-CD1 4.45Å; L304-I343 HydrophobicContact CD1-CG1 4.39Å; L304-I343 HydrophobicContact CD1-CG2 3.91Å; L304-I343 HydrophobicContact CD2-CD1 3.62Å; L304-I343 HydrophobicContact CD2-CG1 4.37Å; L304-I523 HydrophobicContact CB-CD1 3.64Å; L304-I523 HydrophobicContact CD1-CD1 3.67Å; L304-I523 HydrophobicContact CD1-CG2 3.83Å; L304-I523 HydrophobicContact CG-CD1 4.26Å; L304-F537 HydrophobicContact CD1-CD2 3.8Å; L304-F537 HydrophobicContact CD1-CE2 4.22Å; L304-F537 HydrophobicContact CD1-CG 4.3Å; L304-F537 HydrophobicContact CG-CD2 4.4Å; L304-S538 PolarHBondContact N-O 3.12Å; L304-F539 HydrophobicContact CB-CD2 4.3Å; L304-F539 CarbonylContact O-C 3.45Å; L304-F539 VanDerWaalsContact O-CA 3.26Å; L304-F539 WeakPolarHBondContact O-CA 3.36Å; L304-E540 PolarHBondContact O-N 3Å
305R95Very high89.9Confident41 Ų4148.4 Ų48.416%0.15524%0.236CC..EExtended strand (participates in β ladder)trans-130.3126.2-178.8178.7171.275.578-0.1110.4E307 M329 F330 E394 E540R305-E307 IonicContact CZ-OE2 3.57Å; R305-E307 IonicContact NH1-OE2 3.81Å; R305-E307 PolarHBondContact NH1-OE2 3.07Å; R305-E307 IonicContact NH2-OE2 2.65Å; R305-M329 CarbonylContact O-C 3.54Å; R305-M329 WeakPolarHBondContact O-CA 3.2Å; R305-F330 HydrophobicContact CB-CB 4.35Å; R305-F330 PolarHBondContact N-O 2.87Å; R305-F330 PolarHBondContact O-N 2.97Å; R305-E394 IonicContact CZ-OE1 2.82Å; R305-E394 IonicContact CZ-OE2 2.73Å; R305-E394 IonicContact NE-OE1 3.56Å; R305-E394 PolarHBondContact NE-OE1 3.01Å; R305-E394 IonicContact NE-OE2 2.74Å; R305-E394 VanDerWaalsContact NH2-CD 3.31Å; R305-E394 IonicContact NH2-OE1 3.41Å; R305-E394 PolarHBondContact NH2-OE1 2.63Å; R305-E394 IonicContact NH2-OE2 3.16Å; R305-E394 PolarHBondContact NH2-OE2 3.49Å; R305-E540 CarbonylContact C-O 3.58Å; R305-E540 WeakPolarHBondContact CA-O 3.31Å; R305-E540 HydrophobicContact CB-CG 3.93Å; R305-E540 WeakPolarHBondContact CD-OE1 3.44Å; R305-E540 HydrophobicContact CG-CG 3.66Å; R305-E540 WeakPolarHBondContact CG-OE1 3.31Å
306I95.8Very high91.5Very high0 Ų052.3 Ų52.30%024%0.241CC..EExtended strand (participates in β ladder)trans-101.7126.9171.3-72.5175.6000108.5E308 M329 W400 I521 I523 F539 E540 S541 N542I306-E308 HydrophobicContact CG2-CG 4.12Å; I306-M329 HydrophobicContact CD1-CE 3.84Å; I306-M329 HydrophobicContact CG1-CB 4.33Å; I306-M329 HydrophobicContact CG1-CE 3.98Å; I306-M329 HydrophobicContact CG1-CG 4.3Å; I306-W400 HydrophobicContact CB-CH2 4.41Å; I306-W400 HydrophobicContact CG1-CH2 4.12Å; I306-W400 HydrophobicContact CG2-CH2 3.79Å; I306-W400 HydrophobicContact CG2-CZ2 3.67Å; I306-I521 HydrophobicContact CD1-CB 4.2Å; I306-I521 HydrophobicContact CD1-CG2 3.77Å; I306-I523 HydrophobicContact CD1-CG1 4.43Å; I306-F539 HydrophobicContact CB-CE2 4.18Å; I306-F539 HydrophobicContact CD1-CE2 3.61Å; I306-F539 HydrophobicContact CD1-CZ 3.87Å; I306-F539 HydrophobicContact CG1-CE2 3.79Å; I306-F539 HydrophobicContact CG1-CZ 4.4Å; I306-E540 PolarHBondContact N-O 3.11Å; I306-S541 CarbonylContact O-C 3.44Å; I306-S541 WeakPolarHBondContact O-CA 3.43Å; I306-N542 PolarHBondContact O-N 3.24Å
307E96.9Very high92.6Very high35 Ų3549.6 Ų49.616%0.16423%0.233CC..EExtended strand (participates in β ladder)trans-123.1122.9174-173.9-179.517200109R305 K309 G327 T328 F330 N542R305-E307 IonicContact CZ-OE2 3.57Å; R305-E307 IonicContact NH1-OE2 3.81Å; R305-E307 PolarHBondContact NH1-OE2 3.07Å; R305-E307 IonicContact NH2-OE2 2.65Å; E307-K309 WeakPolarHBondContact OE1-CE 3.39Å; E307-K309 IonicContact OE1-NZ 2.84Å; E307-K309 PolarHBondContact OE1-NZ 2.88Å; E307-G327 CarbonylContact O-C 3.57Å; E307-G327 WeakPolarHBondContact O-CA 3.38Å; E307-T328 PolarHBondContact N-O 2.93Å; E307-T328 PolarHBondContact O-N 3.44Å; E307-F330 HydrophobicContact CB-CE2 4.11Å; E307-F330 WeakPolarHBondContact OE2-CE2 3.32Å; E307-N542 CarbonylContact C-O 3.59Å; E307-N542 WeakPolarHBondContact CA-O 3.28Å
308E97.1Very high92.5Very high0 Ų048.1 Ų48.10%023%0.23CC..EExtended strand (participates in β ladder)trans-123.1127.9177.4-66.5-174.6141.300110.4I306 L325 Q326 W400 S517 Y518 C519 N542 F543 H544I306-E308 HydrophobicContact CG2-CG 4.12Å; E308-L325 HydrophobicContact CB-CD2 4.33Å; E308-L325 HydrophobicContact CG-CD2 4.38Å; E308-Q326 WeakPolarHBondContact CA-O 3.44Å; E308-W400 HydrophobicContact CG-CZ2 3.71Å; E308-W400 PolarHBondContact OE1-NE1 3.32Å; E308-S517 VanDerWaalsContact CD-OG 3.24Å; E308-S517 PolarHBondContact OE1-OG 3.2Å; E308-S517 WeakPolarHBondContact OE2-CA 3.33Å; E308-S517 PolarHBondContact OE2-OG 3.28Å; E308-Y518 PolarHBondContact OE2-N 2.9Å; E308-C519 VanDerWaalsContact OE1-CB 3.24Å; E308-C519 WeakPolarHBondContact OE1-CB 3.45Å; E308-C519 PolarHBondContact OE1-N 2.98Å; E308-N542 PolarHBondContact N-O 3.4Å; E308-F543 HydrophobicContact CB-CB 4.26Å; E308-F543 HydrophobicContact CB-CD2 3.83Å; E308-F543 WeakPolarHBondContact O-CA 3.43Å; E308-H544 PolarHBondContact O-N 2.78Å
309K97.5Very high92.6Very high67 Ų6740.6 Ų40.629%0.29120%0.204SC..EExtended strand (participates in β ladder)trans-113.6124.1-176.3-60.5-174.1-178.4-178.10109.7E307 L325 Q326 E546E307-K309 WeakPolarHBondContact OE1-CE 3.39Å; E307-K309 IonicContact OE1-NZ 2.84Å; E307-K309 PolarHBondContact OE1-NZ 2.88Å; K309-L325 WeakPolarHBondContact O-CA 3.37Å; K309-Q326 PolarHBondContact N-O 2.8Å; K309-Q326 PolarHBondContact O-N 2.77Å; K309-E546 HydrophobicContact CB-CB 4.31Å; K309-E546 WeakPolarHBondContact CD-OE2 3.22Å
310L97.5Very high92.8Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-100.6129.9176.9-175.167.4000111.6V312 M323 L325 P411 F512 F543 H544 T545 E546 K547 Y548L310-V312 HydrophobicContact CD1-CG2 3.92Å; L310-V312 HydrophobicContact CD2-CG2 3.94Å; L310-V312 HydrophobicContact CG-CG2 3.81Å; L310-M323 HydrophobicContact CD1-CE 3.52Å; L310-M323 HydrophobicContact CD1-CG 3.96Å; L310-L325 HydrophobicContact CD1-CB 4.49Å; L310-P411 HydrophobicContact CD2-CG 3.66Å; L310-F512 HydrophobicContact CD2-CZ 3.88Å; L310-F543 HydrophobicContact CB-CE2 3.82Å; L310-F543 HydrophobicContact CB-CZ 4.23Å; L310-F543 HydrophobicContact CD2-CE2 4.44Å; L310-F543 HydrophobicContact CD2-CZ 4.02Å; L310-H544 PolarHBondContact N-O 3.05Å; L310-T545 HydrophobicContact CD2-CG2 4.3Å; L310-E546 PolarHBondContact O-N 2.79Å; L310-K547 PolarHBondContact O-N 3.44Å; L310-Y548 HydrophobicContact CD2-CD2 4.08Å; L310-Y548 HydrophobicContact CD2-CE2 4.38Å
311I97.6Very high92.9Very high41 Ų4138.6 Ų38.621%0.2120%0.197CC..EExtended strand (participates in β ladder)trans-121.1119.9170.4-61.7173000108.4M323 E324 E546 K547I311-M323 CarbonylContact O-C 3.54Å; I311-M323 WeakPolarHBondContact O-CA 3.04Å; I311-E324 HydrophobicContact CB-CB 4.4Å; I311-E324 PolarHBondContact N-O 3.25Å; I311-E324 PolarHBondContact O-N 3.31Å; I311-E546 HydrophobicContact CG1-CB 4.1Å; I311-E546 HydrophobicContact CG1-CG 4.45Å; I311-K547 CarbonylContact C-O 3.57Å; I311-K547 WeakPolarHBondContact CA-O 3.47Å; I311-K547 HydrophobicContact CG2-CB 4.32Å
312V97.1Very high93.1Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-129.4135.9179.4172.50000110.3L310 A314 L320 S322 M323 L410 K547 Y548 E549L310-V312 HydrophobicContact CD1-CG2 3.92Å; L310-V312 HydrophobicContact CD2-CG2 3.94Å; L310-V312 HydrophobicContact CG-CG2 3.81Å; V312-A314 HydrophobicContact CG1-CB 4.47Å; V312-L320 HydrophobicContact CG1-CD1 3.91Å; V312-S322 WeakPolarHBondContact CA-O 3.11Å; V312-M323 HydrophobicContact CG2-CB 4.32Å; V312-M323 HydrophobicContact CG2-CG 4.01Å; V312-L410 HydrophobicContact CB-CD2 4.35Å; V312-L410 HydrophobicContact CG1-CD2 3.65Å; V312-L410 HydrophobicContact CG2-CD2 3.66Å; V312-K547 PolarHBondContact N-O 3.13Å; V312-Y548 HydrophobicContact CB-CD1 3.87Å; V312-Y548 HydrophobicContact CB-CD2 3.95Å; V312-Y548 HydrophobicContact CB-CE1 4.05Å; V312-Y548 HydrophobicContact CB-CE2 4.17Å; V312-Y548 HydrophobicContact CB-CG 3.79Å; V312-Y548 HydrophobicContact CG1-CD1 3.76Å; V312-Y548 HydrophobicContact CG1-CD2 4.39Å; V312-Y548 HydrophobicContact CG1-CE1 3.49Å; V312-Y548 VanDerWaalsContact CG1-CE1 3.49Å; V312-Y548 HydrophobicContact CG1-CE2 4.21Å; V312-Y548 HydrophobicContact CG1-CG 4.19Å; V312-Y548 HydrophobicContact CG2-CD2 4Å; V312-Y548 HydrophobicContact CG2-CE2 4.02Å; V312-Y548 HydrophobicContact CG2-CG 4.36Å; V312-E549 PolarHBondContact O-N 2.77Å
313Q96.2Very high93.2Very high69 Ų6938.1 Ų38.132%0.32220%0.198SC..EExtended strand (participates in β ladder)trans-129.4116.5166.7-64.9179.79.200107.9E321 S322 E549Q313-E321 HydrophobicContact CB-CB 4.48Å; Q313-E321 WeakPolarHBondContact O-CB 3.19Å; Q313-E321 PolarHBondContact O-N 2.84Å; Q313-S322 PolarHBondContact N-O 3.19Å; Q313-S322 PolarHBondContact O-N 2.78Å; Q313-E549 WeakPolarHBondContact CA-O 3.45Å
314A94.8Very high93.3Very high7 Ų740 Ų406%0.05821%0.207CC..EExtended strand (participates in β ladder)trans-127.8153.2178.400000110.7V312 G319 L320 E549 I550 S551V312-A314 HydrophobicContact CG1-CB 4.47Å; A314-G319 CarbonylContact C-O 3.57Å; A314-G319 WeakPolarHBondContact CA-O 3.28Å; A314-L320 HydrophobicContact CB-CD1 4.31Å; A314-E549 PolarHBondContact N-O 3.4Å; A314-I550 HydrophobicContact CB-CG1 4.35Å; A314-I550 CarbonylContact O-C 3.58Å; A314-I550 VanDerWaalsContact O-CA 3.27Å; A314-I550 WeakPolarHBondContact O-CA 3.45Å; A314-S551 PolarHBondContact O-N 3.48Å
315G91.9Very high93.3Very high10 Ų1040 Ų4010%0.10321%0.207CC..  trans-81.2154.6171.900000111.9D317 G318 G319 S551G315-D317 PolarHBondContact O-N 2.94Å; G315-D317 VanDerWaalsContact O-N 3.11Å; G315-G318 PolarHBondContact O-N 2.73Å; G315-G319 PolarHBondContact N-O 3.46Å; G315-S551 CarbonylContact C-O 3.54Å; G315-S551 WeakPolarHBondContact CA-O 3.5Å
316R86.4Confident93.4Very high142 Ų14242.1 Ų42.154%0.53622%0.218SC..THydrogen-bonded Turntrans-57.9-18.5175.168.1179.7-174.8-175.4-2.9115.2G318 F506 S551R316-G318 VanDerWaalsContact C-N 3.26Å; R316-F506 HydrophobicContact CB-CD1 4.22Å; R316-F506 HydrophobicContact CB-CE1 3.62Å; R316-F506 HydrophobicContact CB-CZ 3.84Å; R316-S551 PolarHBondContact N-O 2.75Å
317D82.7Confident93.4Very high139 Ų13942.2 Ų42.274%0.74322%0.219SC*.THydrogen-bonded Turntrans-85.52.4177.862.5-29.4000113.1G315G315-D317 PolarHBondContact O-N 2.94Å; G315-D317 VanDerWaalsContact O-N 3.11Å
318G77.6Confident93.5Very high26 Ų2641.8 Ų41.827%0.26822%0.219SC..SBendtrans94.9-14.1-178.500000113.5G315 R316 L320G315-G318 PolarHBondContact O-N 2.73Å; R316-G318 VanDerWaalsContact C-N 3.26Å; G318-L320 PolarHBondContact O-N 3.44Å
319G86.8Confident93.4Very high26 Ų2641.8 Ų41.827%0.26822%0.219SC..  trans-67.3126.8-177.100000112.6A314 G315 E321A314-G319 CarbonylContact C-O 3.57Å; A314-G319 WeakPolarHBondContact CA-O 3.28Å; G315-G319 PolarHBondContact N-O 3.46Å; G319-E321 PolarHBondContact O-N 3.31Å
320L92.5Very high93.4Very high16 Ų1640.2 Ų40.28%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-79116.8174.8-177.864.1000111.2V312 A314 G318 S322 M323 D406 E407 L410V312-L320 HydrophobicContact CG1-CD1 3.91Å; A314-L320 HydrophobicContact CB-CD1 4.31Å; G318-L320 PolarHBondContact O-N 3.44Å; L320-S322 WeakPolarHBondContact CD1-O 3.4Å; L320-M323 HydrophobicContact CD1-CB 4.18Å; L320-M323 HydrophobicContact CD2-CB 3.71Å; L320-M323 HydrophobicContact CG-CB 4.43Å; L320-D406 VanDerWaalsContact CD2-O 3.22Å; L320-D406 WeakPolarHBondContact CD2-O 3.36Å; L320-E407 HydrophobicContact CB-CB 3.99Å; L320-L410 HydrophobicContact CD1-CD1 4.34Å; L320-L410 HydrophobicContact CD1-CD2 3.94Å; L320-L410 HydrophobicContact CD1-CG 4.37Å; L320-L410 HydrophobicContact CD2-CD2 4.43Å; L320-L410 HydrophobicContact CD2-CG 4.38Å
321E93.1Very high93.3Very high131 Ų13140.2 Ų40.261%0.61221%0.213SC*.EExtended strand (participates in β ladder)trans-77.4-48.4172.6-58.5-172.9156.100110.8Q313 G319Q313-E321 HydrophobicContact CB-CB 4.48Å; Q313-E321 WeakPolarHBondContact O-CB 3.19Å; Q313-E321 PolarHBondContact O-N 2.84Å; G319-E321 PolarHBondContact O-N 3.31Å
322S94.9Very high93.1Very high47 Ų4739.6 Ų39.633%0.32921%0.209SC..EExtended strand (participates in β ladder)trans-157.8140.7175.762.40000112.7V312 Q313 L320V312-S322 WeakPolarHBondContact CA-O 3.11Å; Q313-S322 PolarHBondContact N-O 3.19Å; Q313-S322 PolarHBondContact O-N 2.78Å; L320-S322 WeakPolarHBondContact CD1-O 3.4Å
323M95.6Very high93Very high2 Ų239.6 Ų39.61%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-126.7126.5166.6175.2-173.3-179.200108.6L310 I311 V312 L320 F402 Q403 T404 A409 L410 Y518L310-M323 HydrophobicContact CD1-CE 3.52Å; L310-M323 HydrophobicContact CD1-CG 3.96Å; I311-M323 CarbonylContact O-C 3.54Å; I311-M323 WeakPolarHBondContact O-CA 3.04Å; V312-M323 HydrophobicContact CG2-CB 4.32Å; V312-M323 HydrophobicContact CG2-CG 4.01Å; L320-M323 HydrophobicContact CD1-CB 4.18Å; L320-M323 HydrophobicContact CD2-CB 3.71Å; L320-M323 HydrophobicContact CG-CB 4.43Å; M323-F402 HydrophobicContact CE-CE2 4.16Å; M323-F402 HydrophobicContact CE-CZ 3.8Å; M323-F402 HydrophobicContact SD-CE2 4.36Å; M323-Q403 CarbonylContact O-C 3.47Å; M323-Q403 VanDerWaalsContact O-CA 3.28Å; M323-Q403 WeakPolarHBondContact O-CA 3.31Å; M323-T404 HydrophobicContact CB-CG2 3.93Å; M323-T404 HydrophobicContact CG-CG2 4.24Å; M323-T404 PolarHBondContact N-O 3.41Å; M323-T404 PolarHBondContact O-N 3.17Å; M323-T404 HydrophobicContact SD-CG2 3.86Å; M323-A409 VanDerWaalsContact CE-O 3.31Å; M323-A409 WeakPolarHBondContact CE-O 3.49Å; M323-A409 HydrophobicContact SD-CB 3.89Å; M323-L410 HydrophobicContact SD-CD2 4.2Å; M323-Y518 HydrophobicContact CE-CE1 4.04Å
324E96.3Very high92.7Very high40 Ų4039.4 Ų39.419%0.18721%0.209CC..EExtended strand (participates in β ladder)trans-124.6134.2172.3178.1164.4-173.200109.7I311 Q326 Q403I311-E324 HydrophobicContact CB-CB 4.4Å; I311-E324 PolarHBondContact N-O 3.25Å; I311-E324 PolarHBondContact O-N 3.31Å; E324-Q326 HydrophobicContact CG-CG 4.12Å; E324-Q326 PolarHBondContact OE1-NE2 3.25Å; E324-Q403 HydrophobicContact CB-CG 3.89Å; E324-Q403 HydrophobicContact CG-CG 3.71Å; E324-Q403 PolarHBondContact OE1-NE2 3.3Å; E324-Q403 PolarHBondContact OE2-NE2 2.83Å
325L96.1Very high92.5Very high0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-121.9129.6168.4-173.6154.3000109.6E308 K309 L310 R401 F402 Y518 C519 F543E308-L325 HydrophobicContact CB-CD2 4.33Å; E308-L325 HydrophobicContact CG-CD2 4.38Å; K309-L325 WeakPolarHBondContact O-CA 3.37Å; L310-L325 HydrophobicContact CD1-CB 4.49Å; L325-R401 WeakPolarHBondContact O-CA 3.48Å; L325-F402 HydrophobicContact CB-CD1 3.96Å; L325-F402 HydrophobicContact CB-CE1 3.49Å; L325-F402 VanDerWaalsContact CB-CE1 3.49Å; L325-F402 HydrophobicContact CB-CZ 3.81Å; L325-F402 HydrophobicContact CD1-CE1 3.92Å; L325-F402 HydrophobicContact CD1-CZ 4.36Å; L325-F402 HydrophobicContact CD2-CD1 4.45Å; L325-F402 HydrophobicContact CD2-CE1 4.21Å; L325-F402 HydrophobicContact CG-CE1 4.08Å; L325-F402 PolarHBondContact N-O 3.31Å; L325-F402 PolarHBondContact O-N 2.73Å; L325-Y518 HydrophobicContact CD1-CD1 3.42Å; L325-Y518 VanDerWaalsContact CD1-CD1 3.42Å; L325-Y518 HydrophobicContact CD1-CE1 4.28Å; L325-Y518 HydrophobicContact CD1-CG 3.88Å; L325-C519 WeakPolarHBondContact CD2-SG 3.26Å; L325-F543 HydrophobicContact CD1-CD2 4.31Å; L325-F543 HydrophobicContact CD1-CE2 3.76Å
326Q97.1Very high92.3Very high86 Ų8646.6 Ų46.640%0.40225%0.246SC..EExtended strand (participates in β ladder)trans-120.6129.8173.6-61.7-176.3200109.6E308 K309 E324 R401E308-Q326 WeakPolarHBondContact CA-O 3.44Å; K309-Q326 PolarHBondContact N-O 2.8Å; K309-Q326 PolarHBondContact O-N 2.77Å; E324-Q326 HydrophobicContact CG-CG 4.12Å; E324-Q326 PolarHBondContact OE1-NE2 3.25Å; Q326-R401 HydrophobicContact CG-CB 4.36Å
327G96.9Very high92.4Very high2 Ų246.1 Ų46.12%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-129.3152.7177.300000113.7E307 R399 W400E307-G327 CarbonylContact O-C 3.57Å; E307-G327 WeakPolarHBondContact O-CA 3.38Å; G327-R399 WeakPolarHBondContact O-CA 3.24Å; G327-W400 VanDerWaalsContact CA-CE2 3.44Å; G327-W400 PolarHBondContact N-O 2.82Å; G327-W400 PolarHBondContact O-N 2.9Å
328T97.3Very high92.7Very high26 Ų2639.5 Ų39.516%0.1621%0.214CC..EExtended strand (participates in β ladder)trans-139.6133.4175.2-57.60000110.1E307 F330 L398 R399 W400E307-T328 PolarHBondContact N-O 2.93Å; E307-T328 PolarHBondContact O-N 3.44Å; T328-F330 HydrophobicContact CG2-CD1 4.22Å; T328-F330 HydrophobicContact CG2-CD2 4Å; T328-F330 HydrophobicContact CG2-CE1 3.79Å; T328-F330 HydrophobicContact CG2-CE2 3.55Å; T328-F330 HydrophobicContact CG2-CG 4.32Å; T328-F330 HydrophobicContact CG2-CZ 3.44Å; T328-F330 VanDerWaalsContact CG2-CZ 3.44Å; T328-L398 CarbonylContact C-O 3.58Å; T328-L398 WeakPolarHBondContact CA-O 3.18Å; T328-R399 HydrophobicContact CG2-CG 4Å; T328-W400 VanDerWaalsContact C-CH2 3.41Å; T328-W400 VanDerWaalsContact C-CZ3 3.48Å
329M96.6Very high93.4Very high0 Ų039.1 Ų39.10%021%0.207CC..EExtended strand (participates in β ladder)trans-97.1128.2167.3179.4-175.8-7200108.3R305 I306 V345 I380 G396 I397 L398 W400 I521 I523R305-M329 CarbonylContact O-C 3.54Å; R305-M329 WeakPolarHBondContact O-CA 3.2Å; I306-M329 HydrophobicContact CD1-CE 3.84Å; I306-M329 HydrophobicContact CG1-CB 4.33Å; I306-M329 HydrophobicContact CG1-CE 3.98Å; I306-M329 HydrophobicContact CG1-CG 4.3Å; M329-V345 HydrophobicContact CE-CG1 3.98Å; M329-V345 HydrophobicContact CE-CG2 3.84Å; M329-V345 HydrophobicContact SD-CG2 4Å; M329-I380 HydrophobicContact SD-CD1 4.07Å; M329-G396 CarbonylContact O-C 3.51Å; M329-G396 WeakPolarHBondContact O-CA 3.36Å; M329-I397 HydrophobicContact CB-CG1 4.28Å; M329-I397 HydrophobicContact CG-CD1 3.93Å; M329-I397 HydrophobicContact CG-CG1 3.95Å; M329-I397 VanDerWaalsContact O-CG1 3.27Å; M329-I397 WeakPolarHBondContact O-CG1 3.43Å; M329-I397 PolarHBondContact O-N 3.03Å; M329-I397 HydrophobicContact SD-CD1 3.73Å; M329-I397 HydrophobicContact SD-CG1 4.25Å; M329-L398 HydrophobicContact CB-CB 4.24Å; M329-L398 PolarHBondContact N-O 3.11Å; M329-L398 PolarHBondContact O-N 3.4Å; M329-W400 HydrophobicContact CB-CH2 3.97Å; M329-W400 HydrophobicContact CB-CZ3 3.67Å; M329-I521 HydrophobicContact CE-CG2 3.66Å; M329-I523 HydrophobicContact CE-CD1 4.01Å; M329-I523 HydrophobicContact CE-CG1 3.8Å
330F96.1Very high93.5Very high35 Ų3542 Ų4215%0.15421%0.214CC..EExtended strand (participates in β ladder)trans-110.1143.8177.5-60.8-90.3000110.4L304 R305 E307 T328 E394 V395L304-F330 WeakPolarHBondContact CA-O 3.49Å; R305-F330 HydrophobicContact CB-CB 4.35Å; R305-F330 PolarHBondContact N-O 2.87Å; R305-F330 PolarHBondContact O-N 2.97Å; E307-F330 HydrophobicContact CB-CE2 4.11Å; E307-F330 WeakPolarHBondContact OE2-CE2 3.32Å; T328-F330 HydrophobicContact CG2-CD1 4.22Å; T328-F330 HydrophobicContact CG2-CD2 4Å; T328-F330 HydrophobicContact CG2-CE1 3.79Å; T328-F330 HydrophobicContact CG2-CE2 3.55Å; T328-F330 HydrophobicContact CG2-CG 4.32Å; T328-F330 HydrophobicContact CG2-CZ 3.44Å; T328-F330 VanDerWaalsContact CG2-CZ 3.44Å; F330-E394 HydrophobicContact CB-CG 3.53Å; F330-E394 WeakPolarHBondContact CB-OE1 3.21Å; F330-E394 HydrophobicContact CD1-CG 3.87Å; F330-E394 HydrophobicContact CG-CG 3.99Å; F330-V395 CarbonylContact C-O 3.26Å; F330-V395 VanDerWaalsContact CA-O 3.3Å; F330-V395 WeakPolarHBondContact CA-O 3.46Å
331A95.3Very high93.5Very high0 Ų041.3 Ų41.30%021%0.21CC..EExtended strand (participates in β ladder)trans-120.8135.8170.700000110L302 L304 I343 F389 V395 I397L302-A331 HydrophobicContact CD1-CB 4.47Å; L304-A331 HydrophobicContact CD2-CB 3.75Å; A331-I343 HydrophobicContact CB-CD1 4.33Å; A331-F389 HydrophobicContact CB-CE2 4.47Å; A331-V395 PolarHBondContact N-O 2.86Å; A331-V395 PolarHBondContact O-N 2.96Å; A331-I397 HydrophobicContact CB-CD1 3.84Å; A331-I397 HydrophobicContact CB-CG1 4.27Å; A331-I397 HydrophobicContact CB-CG2 3.92Å
332Q94.7Very high93.5Very high28 Ų2836.8 Ų36.813%0.13119%0.188CC..EExtended strand (participates in β ladder)trans-126.4111.3172.6-176.9179.428.300108.3H303 G392 E394H303-Q332 HydrophobicContact CB-CB 4.35Å; H303-Q332 PolarHBondContact N-O 2.82Å; H303-Q332 PolarHBondContact O-N 3.43Å; Q332-G392 PolarHBondContact NE2-O 3.24Å; Q332-E394 HydrophobicContact CB-CB 4.44Å
333A93.5Very high93.5Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-77.3128.6171.300000109.1A338 F389 N391 G392A333-A338 HydrophobicContact CB-CB 3.87Å; A333-F389 HydrophobicContact CB-CB 4.04Å; A333-N391 WeakPolarHBondContact O-CA 3.13Å; A333-N391 PolarHBondContact O-OD1 3.06Å; A333-G392 PolarHBondContact O-N 3.38Å
334I91.6Very high93.5Very high65 Ų6536.6 Ų36.633%0.33318%0.182SC..  trans-106-31178-69168000110.7K299 E300 N301 H303 N391K299-I334 HydrophobicContact CB-CD1 3.35Å; K299-I334 HydrophobicContact CD-CD1 4.11Å; K299-I334 HydrophobicContact CG-CD1 4.34Å; E300-I334 WeakPolarHBondContact O-CB 3.44Å; E300-I334 WeakPolarHBondContact O-CD1 3.5Å; N301-I334 WeakPolarHBondContact O-CB 2.8Å; N301-I334 PolarHBondContact O-N 2.76Å; H303-I334 HydrophobicContact CB-CD1 4.27Å; I334-N391 PolarHBondContact O-ND2 2.9Å; I334-N391 PolarHBondContact O-OD1 2.77Å
335T90.1Very high93.4Very high37 Ų3734.8 Ų34.823%0.22717%0.174CC..SBendtrans-105.1156.1171.865.70000111.2N301 E337 A338N301-T335 HydrophobicContact CB-CG2 3.94Å; N301-T335 PolarHBondContact O-N 2.97Å; N301-T335 VanDerWaalsContact OD1-CG2 3.32Å; N301-T335 WeakPolarHBondContact OD1-CG2 3.47Å; T335-E337 PolarHBondContact O-N 2.77Å; T335-A338 WeakPolarHBondContact O-CB 3.3Å; T335-A338 PolarHBondContact O-N 2.82Å; T335-A338 VanDerWaalsContact O-N 3.08Å; T335-A338 PolarHBondContact OG1-N 3.47Å
336N87.6Confident93.2Very high130 Ų13037.2 Ų37.270%0.69519%0.187SC*.THydrogen-bonded Turntrans-62.6-27.6177.1-69-30.9000112.8A338 C339 N391N336-A338 VanDerWaalsContact C-N 3.33Å; N336-C339 WeakPolarHBondContact O-CB 3.34Å; N336-C339 PolarHBondContact O-N 3.07Å; N336-N391 PolarHBondContact OD1-ND2 3.4Å
337E87.9Confident93Very high132 Ų13234.3 Ų34.362%0.61718%0.175SC*.THydrogen-bonded Turntrans-69.7-32.1175.9-63.3174-178.900111.8T335 C339T335-E337 PolarHBondContact O-N 2.77Å; E337-C339 VanDerWaalsContact C-N 3.28Å; E337-C339 PolarHBondContact O-N 2.96Å
338A90.3Very high92.5Very high0 Ų036.8 Ų36.80%019%0.192CC..G310 helixtrans-75.1-14.6178.500000113.7N301 L302 A333 T335 N336 E340 A341 I535N301-A338 WeakPolarHBondContact O-CB 3.27Å; L302-A338 HydrophobicContact CB-CB 4.25Å; L302-A338 HydrophobicContact CD1-CB 4.47Å; A333-A338 HydrophobicContact CB-CB 3.87Å; T335-A338 WeakPolarHBondContact O-CB 3.3Å; T335-A338 PolarHBondContact O-N 2.82Å; T335-A338 VanDerWaalsContact O-N 3.08Å; T335-A338 PolarHBondContact OG1-N 3.47Å; N336-A338 VanDerWaalsContact C-N 3.33Å; A338-E340 PolarHBondContact O-N 3.27Å; A338-E340 VanDerWaalsContact O-N 3.16Å; A338-A341 WeakPolarHBondContact O-CB 3.36Å; A338-A341 PolarHBondContact O-N 2.95Å; A338-I535 HydrophobicContact CB-CD1 3.59Å
339C90.4Very high92Very high18 Ų1838.1 Ų38.112%0.12220%0.198CC..G310 helixtrans-59.9-27-179.5-660000112.9N336 E337 I382 P388 F389N336-C339 WeakPolarHBondContact O-CB 3.34Å; N336-C339 PolarHBondContact O-N 3.07Å; E337-C339 VanDerWaalsContact C-N 3.28Å; E337-C339 PolarHBondContact O-N 2.96Å; C339-I382 WeakPolarHBondContact O-CD1 3.32Å; C339-P388 HydrophobicContact CB-CB 4.27Å; C339-P388 VanDerWaalsContact O-CB 3.24Å; C339-P388 WeakPolarHBondContact O-CB 3.42Å; C339-F389 WeakPolarHBondContact CB-O 3.45Å; C339-F389 PolarHBondContact O-N 2.87Å; C339-F389 PolarHBondContact SG-O 3.34Å; C339-F389 VanDerWaalsContact SG-O 3.4Å
340E89.9Confident91.5Very high88 Ų8838.1 Ų38.141%0.41120%0.198SC..G310 helixtrans-114.325.8176.5-61.9-175176.800112.7A338 K342 I382 P388 S529A338-E340 PolarHBondContact O-N 3.27Å; A338-E340 VanDerWaalsContact O-N 3.16Å; E340-K342 PolarHBondContact O-N 2.9Å; E340-I382 HydrophobicContact CB-CD1 4.42Å; E340-I382 HydrophobicContact CG-CD1 4.48Å; E340-P388 HydrophobicContact CG-CB 4.07Å; E340-S529 VanDerWaalsContact CB-OG 3.25Å; E340-S529 WeakPolarHBondContact CB-OG 3.46Å; E340-S529 WeakPolarHBondContact O-CB 3.49Å; E340-S529 PolarHBondContact O-N 2.85Å; E340-S529 PolarHBondContact OE2-OG 3.18Å
341A91.5Very high90.9Very high1 Ų138.7 Ų38.71%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-60.6140.2179.500000112.1L302 A338 T527L302-A341 HydrophobicContact CD1-CB 4.46Å; L302-A341 HydrophobicContact CD2-CB 3.91Å; A338-A341 WeakPolarHBondContact O-CB 3.36Å; A338-A341 PolarHBondContact O-N 2.95Å; A341-T527 CarbonylContact C-O 3.53Å; A341-T527 VanDerWaalsContact CA-O 3.31Å; A341-T527 WeakPolarHBondContact CA-O 3.41Å
342K93.6Very high90.4Very high35 Ų3544.8 Ų44.815%0.15224%0.237CC..EExtended strand (participates in β ladder)trans-95.2138.1164.2-56.5178.4-177.6152.20108.3E340 W379 I380 Q381 A526 T527 S529 D532E340-K342 PolarHBondContact O-N 2.9Å; K342-W379 HydrophobicContact CB-CE3 3.71Å; K342-W379 HydrophobicContact CB-CZ3 3.84Å; K342-I380 WeakPolarHBondContact CA-O 3.37Å; K342-Q381 HydrophobicContact CB-CB 4.37Å; K342-Q381 HydrophobicContact CD-CB 4.48Å; K342-Q381 HydrophobicContact CG-CB 3.86Å; K342-A526 CarbonylContact O-C 3.5Å; K342-A526 VanDerWaalsContact O-CA 3.24Å; K342-A526 WeakPolarHBondContact O-CA 3.47Å; K342-T527 PolarHBondContact N-O 2.85Å; K342-T527 PolarHBondContact O-N 2.95Å; K342-S529 WeakPolarHBondContact CE-O 3.39Å; K342-S529 PolarHBondContact NZ-O 2.81Å; K342-S529 VanDerWaalsContact NZ-O 3.13Å; K342-D532 IonicContact NZ-OD1 2.97Å; K342-D532 PolarHBondContact NZ-OD1 2.92Å
343I95.1Very high89.7Confident0 Ų044.7 Ų44.70%024%0.239CC..EExtended strand (participates in β ladder)trans-125.3124.7-177-57.4153.5000108.1L302 L304 A331 V345 I380 F389 I397 I523 A526L302-I343 HydrophobicContact CD2-CD1 4.29Å; L302-I343 HydrophobicContact CD2-CG1 4.04Å; L304-I343 HydrophobicContact CD1-CD1 4.45Å; L304-I343 HydrophobicContact CD1-CG1 4.39Å; L304-I343 HydrophobicContact CD1-CG2 3.91Å; L304-I343 HydrophobicContact CD2-CD1 3.62Å; L304-I343 HydrophobicContact CD2-CG1 4.37Å; A331-I343 HydrophobicContact CB-CD1 4.33Å; I343-V345 HydrophobicContact CG2-CG2 3.93Å; I343-I380 HydrophobicContact CB-CB 4.35Å; I343-I380 PolarHBondContact N-O 3.03Å; I343-I380 PolarHBondContact O-N 2.74Å; I343-F389 HydrophobicContact CD1-CE2 4.46Å; I343-I397 HydrophobicContact CD1-CD1 3.6Å; I343-I523 HydrophobicContact CG2-CG2 4.13Å; I343-A526 HydrophobicContact CG1-CB 4.41Å
344Q94.9Very high88.7Confident45 Ų4549.9 Ų49.921%0.2127%0.273CS..EExtended strand (participates in β ladder)trans-91.6125.5174.4-162.7-178.91700109.9W379 I524 E525Q344-W379 HydrophobicContact CB-CD2 3.87Å; Q344-W379 HydrophobicContact CB-CE3 3.82Å; Q344-W379 HydrophobicContact CB-CH2 3.79Å; Q344-W379 HydrophobicContact CB-CZ2 3.8Å; Q344-W379 HydrophobicContact CB-CZ3 3.79Å; Q344-W379 HydrophobicContact CG-CD2 4.08Å; Q344-W379 HydrophobicContact CG-CG 4.46Å; Q344-W379 HydrophobicContact CG-CZ2 4.08Å; Q344-I524 HydrophobicContact CB-CB 4.24Å; Q344-I524 HydrophobicContact CG-CB 4.36Å; Q344-I524 HydrophobicContact CG-CD1 4.05Å; Q344-I524 PolarHBondContact O-N 2.93Å; Q344-E525 HydrophobicContact CB-CG 3.83Å; Q344-E525 PolarHBondContact N-O 3.26Å; Q344-E525 PolarHBondContact OE1-OE1 2.83Å
345V94.6Very high87.8Confident3 Ų349.5 Ų49.52%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-123.9129.7-177.8-177.50000109.3M329 I343 T347 G378 I380 I521 Q522M329-V345 HydrophobicContact CE-CG1 3.98Å; M329-V345 HydrophobicContact CE-CG2 3.84Å; M329-V345 HydrophobicContact SD-CG2 4Å; I343-V345 HydrophobicContact CG2-CG2 3.93Å; V345-T347 HydrophobicContact CG1-CG2 3.96Å; V345-G378 PolarHBondContact N-O 2.77Å; V345-I380 HydrophobicContact CB-CD1 4.45Å; V345-I380 HydrophobicContact CG2-CD1 3.6Å; V345-I380 HydrophobicContact CG2-CG1 4.18Å; V345-I521 HydrophobicContact CG1-CG2 3.58Å; V345-Q522 CarbonylContact C-O 3.56Å; V345-Q522 WeakPolarHBondContact CA-O 3.5Å; V345-Q522 WeakPolarHBondContact CG1-O 3.34Å
346D93.2Very high87Confident51 Ų5156.8 Ų56.827%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-84121.8167.1-165.5-5.9000109.7S348 Q522 I524D346-S348 VanDerWaalsContact CG-OG 3.31Å; D346-S348 WeakPolarHBondContact OD1-CB 3.47Å; D346-S348 PolarHBondContact OD1-N 3.25Å; D346-S348 PolarHBondContact OD1-OG 3.32Å; D346-S348 PolarHBondContact OD2-OG 2.97Å; D346-Q522 HydrophobicContact CB-CB 4.31Å; D346-Q522 PolarHBondContact N-O 3.01Å; D346-Q522 PolarHBondContact O-N 2.89Å; D346-I524 HydrophobicContact CB-CD1 3.88Å; D346-I524 HydrophobicContact CB-CG1 4.19Å
347T91.7Very high86.6Confident25 Ų2554.6 Ų54.615%0.15329%0.288CS..  trans-117.910175.565.70000112.5V345 I349 C350 T351 L363 F374V345-T347 HydrophobicContact CG1-CG2 3.96Å; T347-I349 VanDerWaalsContact C-N 3.35Å; T347-I349 PolarHBondContact O-N 3.5Å; T347-C350 WeakPolarHBondContact O-CB 3.37Å; T347-C350 PolarHBondContact O-N 3.15Å; T347-C350 VanDerWaalsContact O-N 3.07Å; T347-T351 PolarHBondContact O-N 3.23Å; T347-T351 PolarHBondContact O-OG1 3.05Å; T347-T351 VanDerWaalsContact O-OG1 3.05Å; T347-L363 HydrophobicContact CG2-CD1 4.07Å; T347-F374 HydrophobicContact CG2-CE2 4.3Å; T347-F374 HydrophobicContact CG2-CZ 3.94Å
348S88Confident86.5Confident54 Ų5448.9 Ų48.938%0.37826%0.261SS..Hα-helixtrans-56.2-47.6-174.858.50000111.9D346 C350 T351 N352D346-S348 VanDerWaalsContact CG-OG 3.31Å; D346-S348 WeakPolarHBondContact OD1-CB 3.47Å; D346-S348 PolarHBondContact OD1-N 3.25Å; D346-S348 PolarHBondContact OD1-OG 3.32Å; D346-S348 PolarHBondContact OD2-OG 2.97Å; S348-C350 VanDerWaalsContact C-N 3.31Å; S348-C350 PolarHBondContact O-N 3.17Å; S348-T351 PolarHBondContact O-N 3.05Å; S348-T351 PolarHBondContact O-OG1 2.92Å; S348-T351 VanDerWaalsContact O-OG1 3.13Å; S348-N352 PolarHBondContact O-N 3.5Å
349I85.9Confident86.3Confident54 Ų5450.7 Ų50.728%0.27727%0.272SS..Hα-helixtrans-61.9-37.2176.8-60.9172000111.4T347 N352 P353T347-I349 VanDerWaalsContact C-N 3.35Å; T347-I349 PolarHBondContact O-N 3.5Å; I349-N352 CarbonylContact O-C 3.57Å; I349-P353 WeakPolarHBondContact O-CA 3.29Å; I349-P353 VanDerWaalsContact O-N 3.12Å
350C85.5Confident86.3Confident0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-71.9-37.7179.6-52.40000112.1T347 S348 V361 C519 I521T347-C350 WeakPolarHBondContact O-CB 3.37Å; T347-C350 PolarHBondContact O-N 3.15Å; T347-C350 VanDerWaalsContact O-N 3.07Å; S348-C350 VanDerWaalsContact C-N 3.31Å; S348-C350 PolarHBondContact O-N 3.17Å; C350-V361 HydrophobicContact CB-CB 3.96Å; C350-V361 HydrophobicContact CB-CG2 3.95Å; C350-V361 WeakPolarHBondContact O-CB 3.2Å; C350-V361 WeakPolarHBondContact O-CG2 2.76Å; C350-V361 PolarHBondContact O-N 3.19Å; C350-C519 PolarHBondContact SG-O 3.05Å; C350-I521 WeakPolarHBondContact SG-CG1 2.97Å
351T84.3Confident86.4Confident46 Ų4650.3 Ų50.328%0.28228%0.277SS..Hα-helixtrans-84-29.4-177.9530000113T347 S348 P360 L363T347-T351 PolarHBondContact O-N 3.23Å; T347-T351 PolarHBondContact O-OG1 3.05Å; T347-T351 VanDerWaalsContact O-OG1 3.05Å; S348-T351 PolarHBondContact O-N 3.05Å; S348-T351 PolarHBondContact O-OG1 2.92Å; S348-T351 VanDerWaalsContact O-OG1 3.13Å; T351-P360 WeakPolarHBondContact O-CB 3.25Å; T351-L363 HydrophobicContact CG2-CD1 4.02Å
352N84.9Confident86.4Confident129 Ų12955.1 Ų55.169%0.6930%0.299SS*.SBendtrans-134.673.6179.1-62.6-44.7000108.6S348 I349S348-N352 PolarHBondContact O-N 3.5Å; I349-N352 CarbonylContact O-C 3.57Å
353P79Confident86.5Confident25 Ų2555.6 Ų55.616%0.16230%0.303CS..  trans-63140.7-177.523.8-31.2000111.1I349 N355 R358I349-P353 WeakPolarHBondContact O-CA 3.29Å; I349-P353 VanDerWaalsContact O-N 3.12Å; P353-N355 PolarHBondContact O-N 2.78Å; P353-R358 HydrophobicContact CB-CB 3.91Å; P353-R358 HydrophobicContact CB-CG 4.21Å; P353-R358 HydrophobicContact CG-CB 4.05Å; P353-R358 HydrophobicContact CG-CG 4.37Å; P353-R358 WeakPolarHBondContact CG-O 3.25Å
354P72.9Confident86.5Confident110 Ų11061.1 Ų61.171%0.71433%0.329SS*.SBendtrans-69.1-25.2178.527.5-34.2000112.3
355N73.3Confident86.5Confident57 Ų5760.4 Ų60.431%0.30533%0.328SS..SBendtrans-89.1113.4173.3-176-7.8000109.1P353 H357 R358P353-N355 PolarHBondContact O-N 2.78Å; N355-H357 PolarHBondContact O-N 3.21Å; N355-H357 VanDerWaalsContact O-N 3.11Å; N355-H357 VanDerWaalsContact OD1-CB 3.31Å; N355-H357 WeakPolarHBondContact OD1-CB 3.04Å; N355-H357 PolarHBondContact OD1-CD2 2.94Å; N355-H357 PolarHBondContact OD1-N 2.8Å; N355-R358 PolarHBondContact O-N 2.74Å
356E71.9Confident86.5Confident189 Ų18963.2 Ų63.288%0.88334%0.341SS*.THydrogen-bonded Turntrans-58.9-21.9-179.9-64-173.5171.700113.1R358E356-R358 VanDerWaalsContact C-N 3.28Å; E356-R358 PolarHBondContact O-N 2.83Å
357H79.9Confident86.6Confident84 Ų8465.3 Ų65.339%0.38936%0.357SS..THydrogen-bonded Turntrans-76.3-13.6177.8-58.9-70.2000113.5N355 D406 A408N355-H357 PolarHBondContact O-N 3.21Å; N355-H357 VanDerWaalsContact O-N 3.11Å; N355-H357 VanDerWaalsContact OD1-CB 3.31Å; N355-H357 WeakPolarHBondContact OD1-CB 3.04Å; N355-H357 PolarHBondContact OD1-CD2 2.94Å; N355-H357 PolarHBondContact OD1-N 2.8Å; H357-D406 IonicContact CE1-OD2 3.86Å; H357-D406 IonicContact CG-OD2 3.58Å; H357-D406 IonicContact ND1-OD1 3.49Å; H357-D406 IonicContact ND1-OD2 2.75Å; H357-D406 PolarHBondContact ND1-OD2 2.76Å; H357-A408 HydrophobicContact CB-CB 3.83Å; H357-A408 VanDerWaalsContact CG-CB 3.49Å
358R84.8Confident86.7Confident13 Ų1366 Ų665%0.04936%0.36CS..SBendtrans-93.7121.1175.8-168.7-179-62.4168.80.1109.4P353 N355 E356 F402 D435 Y518P353-R358 HydrophobicContact CB-CB 3.91Å; P353-R358 HydrophobicContact CB-CG 4.21Å; P353-R358 HydrophobicContact CG-CB 4.05Å; P353-R358 HydrophobicContact CG-CG 4.37Å; P353-R358 WeakPolarHBondContact CG-O 3.25Å; N355-R358 PolarHBondContact O-N 2.74Å; E356-R358 VanDerWaalsContact C-N 3.28Å; E356-R358 PolarHBondContact O-N 2.83Å; R358-F402 HydrophobicContact CG-CE2 4.49Å; R358-F402 HydrophobicContact CG-CZ 4.37Å; R358-D435 IonicContact NH2-OD2 3.68Å; R358-D435 PolarHBondContact NH2-OD2 3.43Å; R358-D435 VanDerWaalsContact NH2-OD2 3.11Å; R358-Y518 VanDerWaalsContact CZ-CE1 3.47Å; R358-Y518 PolarHBondContact NE-OH 2.89Å; R358-Y518 PolarHBondContact NH1-O 2.89Å; R358-Y518 PolarHBondContact NH2-OH 2.92Å; R358-Y518 VanDerWaalsContact NH2-OH 3.08Å
359P87.8Confident87Confident37 Ų3763.8 Ų63.824%0.2434%0.344CS..PPolyproline II helixtrans-71.1152.3176.227.1-32.1000111.5V361 F402 Q403P359-V361 PolarHBondContact O-N 3.41Å; P359-F402 HydrophobicContact CG-CB 4.19Å; P359-F402 HydrophobicContact CG-CD2 3.76Å; P359-F402 HydrophobicContact CG-CG 4.33Å; P359-Q403 WeakPolarHBondContact CG-O 3.38Å
360P88.8Confident87.4Confident87 Ų8763 Ų6357%0.56534%0.34SS*.PPolyproline II helixtrans-54.6133172.3-27.635.6000112.2T351T351-P360 WeakPolarHBondContact O-CB 3.25Å
361V92Very high87.7Confident11 Ų1169.4 Ų69.47%0.06737%0.368CS..PPolyproline II helixtrans-76.9136.3-175.5-179.20000111.2C350 P359 L363 W400 F402 C519C350-V361 HydrophobicContact CB-CB 3.96Å; C350-V361 HydrophobicContact CB-CG2 3.95Å; C350-V361 WeakPolarHBondContact O-CB 3.2Å; C350-V361 WeakPolarHBondContact O-CG2 2.76Å; C350-V361 PolarHBondContact O-N 3.19Å; P359-V361 PolarHBondContact O-N 3.41Å; V361-L363 HydrophobicContact CG1-CD2 4.35Å; V361-W400 HydrophobicContact CG1-CB 3.53Å; V361-W400 HydrophobicContact CG1-CG 4.12Å; V361-F402 HydrophobicContact CG2-CB 4.29Å; V361-F402 HydrophobicContact CG2-CD1 3.97Å; V361-C519 HydrophobicContact CG2-CB 4.46Å
362Q92.9Very high88.2Confident103 Ų10375.5 Ų75.548%0.48139%0.39SS..EExtended strand (participates in β ladder)trans-83.2114.3174.7-63.3175.38.600110.1W400 R401Q362-W400 VanDerWaalsContact O-CA 3.25Å; Q362-W400 WeakPolarHBondContact O-CA 3.33Å; Q362-R401 HydrophobicContact CB-CG 4.19Å; Q362-R401 PolarHBondContact N-O 2.92Å; Q362-R401 PolarHBondContact O-N 2.74Å; Q362-R401 VanDerWaalsContact O-N 3.09Å; Q362-R401 VanDerWaalsContact OE1-NE 3.14Å
363L94.7Very high88.5Confident45 Ų4570.8 Ų70.824%0.23637%0.367CS..EExtended strand (participates in β ladder)trans-96.6138.9-179.3-59.8173.2000112.4T347 T351 V361 F374 L398 W400T347-L363 HydrophobicContact CG2-CD1 4.07Å; T351-L363 HydrophobicContact CG2-CD1 4.02Å; V361-L363 HydrophobicContact CG1-CD2 4.35Å; L363-F374 HydrophobicContact CB-CE1 4.39Å; L363-F374 HydrophobicContact CD1-CE1 4.12Å; L363-F374 HydrophobicContact CD1-CZ 4.17Å; L363-L398 HydrophobicContact CB-CD1 4.5Å; L363-W400 HydrophobicContact CD2-CB 3.68Å
364Q95Very high89.3Confident116 Ų11670.1 Ų70.154%0.54236%0.361SS..EExtended strand (participates in β ladder)trans-137.3120.1175.8-63.6-174.65.700111.4R399Q364-R399 HydrophobicContact CB-CB 4.47Å; Q364-R399 PolarHBondContact N-O 2.84Å; Q364-R399 PolarHBondContact O-N 2.9Å
365T95.6Very high90.1Very high29 Ų2970 Ų7018%0.17836%0.358CS..EExtended strand (participates in β ladder)trans-86151.1176.657.60000111.7I369 F374 L398T365-I369 HydrophobicContact CG2-CG2 4.12Å; T365-F374 HydrophobicContact CG2-CB 4.16Å; T365-F374 HydrophobicContact CG2-CD1 3.38Å; T365-F374 HydrophobicContact CG2-CE1 3.93Å; T365-F374 HydrophobicContact CG2-CG 3.86Å; T365-L398 HydrophobicContact CG2-CD1 4.05Å
366H94.5Very high91Very high63 Ų6371.7 Ų71.729%0.29238%0.375SS..  trans-59.3148.3172.7-178.1-93.4000111.9N368 I369 G396 I397H366-N368 PolarHBondContact ND1-N 2.95Å; H366-N368 PolarHBondContact O-N 2.82Å; H366-I369 HydrophobicContact CB-CG1 4.04Å; H366-I369 WeakPolarHBondContact O-CB 3.36Å; H366-I369 PolarHBondContact O-N 2.75Å; H366-G396 WeakPolarHBondContact CB-O 3.34Å; H366-G396 PolarHBondContact CD2-O 3.37Å; H366-I397 PolarHBondContact N-O 2.83Å
367P94.1Very high92Very high95 Ų9566 Ų6662%0.61735%0.353SS*.THydrogen-bonded Turntrans-57-22.5-176.3-30.236.9000116.4K383P367-K383 VanDerWaalsContact O-CE 3.28Å; P367-K383 WeakPolarHBondContact O-CE 3.42Å; P367-K383 PolarHBondContact O-NZ 2.73Å
368N94Very high92.6Very high40 Ų4062.7 Ų62.721%0.21434%0.341CS..THydrogen-bonded Turntrans-89-4.3176.7-66.9-25.1000113.9H366 I382 K383H366-N368 PolarHBondContact ND1-N 2.95Å; H366-N368 PolarHBondContact O-N 2.82Å; N368-I382 CarbonylContact O-C 3.51Å; N368-I382 WeakPolarHBondContact O-CA 3.48Å; N368-K383 WeakPolarHBondContact O-CG 3.37Å; N368-K383 PolarHBondContact O-N 2.89Å
369I94.7Very high93Very high7 Ų764.4 Ų64.44%0.03635%0.348CS..BIsolated β-bridgetrans-91.9142.4179-62.6-58.3000110.1T365 H366 K371 I380 Q381 I382 F389T365-I369 HydrophobicContact CG2-CG2 4.12Å; H366-I369 HydrophobicContact CB-CG1 4.04Å; H366-I369 WeakPolarHBondContact O-CB 3.36Å; H366-I369 PolarHBondContact O-N 2.75Å; I369-K371 PolarHBondContact O-N 3.41Å; I369-I380 HydrophobicContact CD1-CG2 3.69Å; I369-I380 HydrophobicContact CG1-CG2 4.07Å; I369-I380 HydrophobicContact CG2-CG2 3.89Å; I369-Q381 CarbonylContact C-O 3.56Å; I369-Q381 VanDerWaalsContact CA-O 3.32Å; I369-Q381 WeakPolarHBondContact CA-O 3.43Å; I369-I382 HydrophobicContact CD1-CG1 4.48Å; I369-F389 HydrophobicContact CD1-CE1 4.23Å; I369-F389 HydrophobicContact CD1-CZ 4.29Å
370D93.8Very high93.3Very high37 Ų3762.7 Ų62.720%0.19834%0.337CS..  trans-73.394.1173-165.8-27000110.8K372 T373 F374 Q381 K383D370-K372 PolarHBondContact O-N 3.48Å; D370-K372 WeakPolarHBondContact OD1-CB 3.49Å; D370-K372 PolarHBondContact OD1-N 3.16Å; D370-T373 PolarHBondContact O-N 2.83Å; D370-T373 PolarHBondContact OD1-N 2.78Å; D370-T373 PolarHBondContact OD2-OG1 2.93Å; D370-F374 PolarHBondContact O-N 2.84Å; D370-F374 VanDerWaalsContact O-N 3.09Å; D370-Q381 HydrophobicContact CB-CG 4.24Å; D370-Q381 PolarHBondContact N-O 3.48Å; D370-K383 HydrophobicContact CB-CB 4.11Å
371K93.7Very high93.6Very high134 Ų13460.8 Ų60.858%0.58332%0.32SS*.Hα-helixtrans-55.4-36.2177.8-175.4175.5178.71780112.6I369 T375I369-K371 PolarHBondContact O-N 3.41Å; K371-T375 PolarHBondContact O-N 3.47Å; K371-T375 PolarHBondContact O-OG1 2.93Å
372K92.9Very high93.6Very high174 Ų17462 Ų6276%0.75733%0.326SS*.Hα-helixtrans-69.8-46.8-176.3-68.8-177.2179.4179.80110.4D370 F374 T375 S376D370-K372 PolarHBondContact O-N 3.48Å; D370-K372 WeakPolarHBondContact OD1-CB 3.49Å; D370-K372 PolarHBondContact OD1-N 3.16Å; K372-F374 VanDerWaalsContact C-N 3.32Å; K372-F374 PolarHBondContact O-N 2.81Å; K372-T375 PolarHBondContact O-N 2.82Å; K372-S376 PolarHBondContact O-N 2.86Å; K372-S376 PolarHBondContact O-OG 2.84Å; K372-S376 VanDerWaalsContact O-OG 3.12Å
373T92.7Very high93.6Very high31 Ų3161.1 Ų61.119%0.1932%0.32CS..Hα-helixtrans-60.5-44.5176.7-53.60000111.3D370 T375 S376 T377 W379 Q381D370-T373 PolarHBondContact O-N 2.83Å; D370-T373 PolarHBondContact OD1-N 2.78Å; D370-T373 PolarHBondContact OD2-OG1 2.93Å; T373-T375 PolarHBondContact O-N 2.83Å; T373-S376 PolarHBondContact O-N 2.95Å; T373-S376 PolarHBondContact O-OG 3.38Å; T373-T377 WeakPolarHBondContact CG2-OG1 3.19Å; T373-T377 PolarHBondContact O-N 3.16Å; T373-T377 PolarHBondContact O-OG1 2.86Å; T373-W379 HydrophobicContact CG2-CB 4.11Å; T373-Q381 HydrophobicContact CG2-CG 4.29Å; T373-Q381 PolarHBondContact OG1-NE2 3.36Å
374F94.4Very high93.4Very high11 Ų1164.9 Ų64.95%0.04835%0.347CS..Hα-helixtrans-58.4-50.7178.2172.7-111.1000111.6T347 L363 T365 D370 K372 S376 G378 W379 I380 L398T347-F374 HydrophobicContact CG2-CE2 4.3Å; T347-F374 HydrophobicContact CG2-CZ 3.94Å; L363-F374 HydrophobicContact CB-CE1 4.39Å; L363-F374 HydrophobicContact CD1-CE1 4.12Å; L363-F374 HydrophobicContact CD1-CZ 4.17Å; T365-F374 HydrophobicContact CG2-CB 4.16Å; T365-F374 HydrophobicContact CG2-CD1 3.38Å; T365-F374 HydrophobicContact CG2-CE1 3.93Å; T365-F374 HydrophobicContact CG2-CG 3.86Å; D370-F374 PolarHBondContact O-N 2.84Å; D370-F374 VanDerWaalsContact O-N 3.09Å; K372-F374 VanDerWaalsContact C-N 3.32Å; K372-F374 PolarHBondContact O-N 2.81Å; F374-S376 VanDerWaalsContact C-N 3.31Å; F374-S376 PolarHBondContact O-N 3.33Å; F374-G378 WeakPolarHBondContact O-CA 3.37Å; F374-G378 PolarHBondContact O-N 2.68Å; F374-W379 WeakPolarHBondContact CA-O 3.49Å; F374-W379 PolarHBondContact N-O 3.31Å; F374-I380 HydrophobicContact CD2-CD1 4.48Å; F374-I380 HydrophobicContact CD2-CG1 3.59Å; F374-I380 HydrophobicContact CE2-CD1 4.3Å; F374-I380 HydrophobicContact CE2-CG1 3.87Å; F374-I380 HydrophobicContact CG-CG1 4.47Å; F374-L398 HydrophobicContact CE1-CD1 3.72Å; F374-L398 HydrophobicContact CE2-CD1 4.43Å; F374-L398 HydrophobicContact CE2-CD2 4.2Å; F374-L398 HydrophobicContact CZ-CD1 3.64Å; F374-L398 HydrophobicContact CZ-CD2 3.8Å; F374-L398 HydrophobicContact CZ-CG 4.4Å
375T91Very high93.1Very high106 Ų10663.6 Ų63.665%0.6537%0.365SS*.Hα-helixtrans-63.7-33.2-179.6-58.50000113.3K371 K372 T373K371-T375 PolarHBondContact O-N 3.47Å; K371-T375 PolarHBondContact O-OG1 2.93Å; K372-T375 PolarHBondContact O-N 2.82Å; T373-T375 PolarHBondContact O-N 2.83Å
376S91.8Very high92.8Very high94 Ų9462.9 Ų62.966%0.65736%0.364SS*.Hα-helixtrans-89-24.8-177.665.20000114.7K372 T373 F374K372-S376 PolarHBondContact O-N 2.86Å; K372-S376 PolarHBondContact O-OG 2.84Å; K372-S376 VanDerWaalsContact O-OG 3.12Å; T373-S376 PolarHBondContact O-N 2.95Å; T373-S376 PolarHBondContact O-OG 3.38Å; F374-S376 VanDerWaalsContact C-N 3.31Å; F374-S376 PolarHBondContact O-N 3.33Å
377T92.3Very high92.7Very high69 Ų6967.5 Ų67.542%0.42338%0.384SS..Hα-helixtrans-133-8.3-170.165.60000115.2T373 W379T373-T377 WeakPolarHBondContact CG2-OG1 3.19Å; T373-T377 PolarHBondContact O-N 3.16Å; T373-T377 PolarHBondContact O-OG1 2.86Å; T377-W379 PolarHBondContact O-N 3.45Å; T377-W379 PolarHBondContact OG1-N 2.9Å
378G92.8Very high92.5Very high14 Ų1466 Ų6614%0.14437%0.374CS..SBendtrans77.10.4-173.900000114.5V345 F374V345-G378 PolarHBondContact N-O 2.77Å; F374-G378 WeakPolarHBondContact O-CA 3.37Å; F374-G378 PolarHBondContact O-N 2.68Å
379W94Very high92.4Very high50 Ų5064.6 Ų64.619%0.18937%0.366CS..EExtended strand (participates in β ladder)trans-85.1119.8178.8-74.794.6000112.5K342 Q344 T373 F374 T377 E525 T527K342-W379 HydrophobicContact CB-CE3 3.71Å; K342-W379 HydrophobicContact CB-CZ3 3.84Å; Q344-W379 HydrophobicContact CB-CD2 3.87Å; Q344-W379 HydrophobicContact CB-CE3 3.82Å; Q344-W379 HydrophobicContact CB-CH2 3.79Å; Q344-W379 HydrophobicContact CB-CZ2 3.8Å; Q344-W379 HydrophobicContact CB-CZ3 3.79Å; Q344-W379 HydrophobicContact CG-CD2 4.08Å; Q344-W379 HydrophobicContact CG-CG 4.46Å; Q344-W379 HydrophobicContact CG-CZ2 4.08Å; T373-W379 HydrophobicContact CG2-CB 4.11Å; F374-W379 WeakPolarHBondContact CA-O 3.49Å; F374-W379 PolarHBondContact N-O 3.31Å; T377-W379 PolarHBondContact O-N 3.45Å; T377-W379 PolarHBondContact OG1-N 2.9Å; W379-E525 HydrophobicContact CH2-CG 3.79Å; W379-E525 WeakPolarHBondContact CH2-OE1 3.19Å; W379-E525 HydrophobicContact CZ2-CG 4.28Å; W379-E525 WeakPolarHBondContact CZ2-OE1 3.27Å; W379-T527 HydrophobicContact CH2-CG2 4.07Å; W379-T527 HydrophobicContact CZ3-CG2 4.49Å
380I94.4Very high92.2Very high0 Ų066.4 Ų66.40%038%0.378CS..EExtended strand (participates in β ladder)trans-84.8111.2165.7-59.9178.5000107.6M329 K342 I343 V345 I369 F374 I397 L398M329-I380 HydrophobicContact SD-CD1 4.07Å; K342-I380 WeakPolarHBondContact CA-O 3.37Å; I343-I380 HydrophobicContact CB-CB 4.35Å; I343-I380 PolarHBondContact N-O 3.03Å; I343-I380 PolarHBondContact O-N 2.74Å; V345-I380 HydrophobicContact CB-CD1 4.45Å; V345-I380 HydrophobicContact CG2-CD1 3.6Å; V345-I380 HydrophobicContact CG2-CG1 4.18Å; I369-I380 HydrophobicContact CD1-CG2 3.69Å; I369-I380 HydrophobicContact CG1-CG2 4.07Å; I369-I380 HydrophobicContact CG2-CG2 3.89Å; F374-I380 HydrophobicContact CD2-CD1 4.48Å; F374-I380 HydrophobicContact CD2-CG1 3.59Å; F374-I380 HydrophobicContact CE2-CD1 4.3Å; F374-I380 HydrophobicContact CE2-CG1 3.87Å; F374-I380 HydrophobicContact CG-CG1 4.47Å; I380-I397 HydrophobicContact CD1-CD1 4.14Å; I380-I397 HydrophobicContact CG2-CB 4.38Å; I380-I397 HydrophobicContact CG2-CD1 4.15Å; I380-L398 HydrophobicContact CD1-CB 4Å; I380-L398 HydrophobicContact CD1-CD2 4.16Å
381Q93.5Very high92Very high47 Ų4768.4 Ų68.422%0.2239%0.389CS..  trans-139.2153.1176.563.51742.500111.1K342 I369 D370 T373 K383K342-Q381 HydrophobicContact CB-CB 4.37Å; K342-Q381 HydrophobicContact CD-CB 4.48Å; K342-Q381 HydrophobicContact CG-CB 3.86Å; I369-Q381 CarbonylContact C-O 3.56Å; I369-Q381 VanDerWaalsContact CA-O 3.32Å; I369-Q381 WeakPolarHBondContact CA-O 3.43Å; D370-Q381 HydrophobicContact CB-CG 4.24Å; D370-Q381 PolarHBondContact N-O 3.48Å; T373-Q381 HydrophobicContact CG2-CG 4.29Å; T373-Q381 PolarHBondContact OG1-NE2 3.36Å; Q381-K383 PolarHBondContact O-N 2.8Å
382I93.1Very high91.7Very high36 Ų3664.2 Ų64.219%0.18538%0.384CS..BIsolated β-bridgetrans-67.2131.3175.9-63.1145.6000109.1C339 E340 N368 I369 P388 F389C339-I382 WeakPolarHBondContact O-CD1 3.32Å; E340-I382 HydrophobicContact CB-CD1 4.42Å; E340-I382 HydrophobicContact CG-CD1 4.48Å; N368-I382 CarbonylContact O-C 3.51Å; N368-I382 WeakPolarHBondContact O-CA 3.48Å; I369-I382 HydrophobicContact CD1-CG1 4.48Å; I382-P388 HydrophobicContact CD1-CB 4.15Å; I382-F389 HydrophobicContact CG1-CE1 4.48Å; I382-F389 HydrophobicContact CG1-CZ 4.47Å
383K93.4Very high91.6Very high85 Ų8561.8 Ų61.837%0.3738%0.375SS..PPolyproline II helixtrans-67.3155.6176.575.2-171.2-176.1-175.40110.8P367 N368 D370 Q381 G385 G386P367-K383 VanDerWaalsContact O-CE 3.28Å; P367-K383 WeakPolarHBondContact O-CE 3.42Å; P367-K383 PolarHBondContact O-NZ 2.73Å; N368-K383 WeakPolarHBondContact O-CG 3.37Å; N368-K383 PolarHBondContact O-N 2.89Å; D370-K383 HydrophobicContact CB-CB 4.11Å; Q381-K383 PolarHBondContact O-N 2.8Å; K383-G385 PolarHBondContact O-N 2.8Å; K383-G385 VanDerWaalsContact O-N 3.14Å; K383-G386 WeakPolarHBondContact O-CA 3.48Å; K383-G386 PolarHBondContact O-N 3.47Å
384P89.3Confident91.6Very high124 Ų12463.6 Ų63.681%0.80538%0.381SS*.THydrogen-bonded Turntrans-53.2122.4173-26.135000112G386P384-G386 VanDerWaalsContact C-N 3.3Å; P384-G386 PolarHBondContact O-N 3.09Å
385G88.6Confident91.6Very high89 Ų8964.4 Ų64.492%0.91839%0.387SS*.THydrogen-bonded Turntrans78.73.2-175.900000115.5K383K383-G385 PolarHBondContact O-N 2.8Å; K383-G385 VanDerWaalsContact O-N 3.14Å
386G89.4Confident91.8Very high15 Ų1560.2 Ų60.216%0.15537%0.365CS..PPolyproline II helixtrans-69.6154.8170.100000111.9K383 P384K383-G386 WeakPolarHBondContact O-CA 3.48Å; K383-G386 PolarHBondContact O-N 3.47Å; P384-G386 VanDerWaalsContact C-N 3.3Å; P384-G386 PolarHBondContact O-N 3.09Å
387K92Very high92Very high160 Ų16055.8 Ų55.870%0.69633%0.334SS*.PPolyproline II helixtrans-75.6134.2174.5-59.3-179.8178.5179.50109.9
388P91.5Very high92.2Very high64 Ų6452.5 Ų52.542%0.41631%0.314SS..PPolyproline II helixtrans-67.3167.7174.429.8-35.1000112C339 E340 I382C339-P388 HydrophobicContact CB-CB 4.27Å; C339-P388 VanDerWaalsContact O-CB 3.24Å; C339-P388 WeakPolarHBondContact O-CB 3.42Å; E340-P388 HydrophobicContact CG-CB 4.07Å; I382-P388 HydrophobicContact CD1-CB 4.15Å
389F91.5Very high92.4Very high10 Ų1059.2 Ų59.24%0.04434%0.335CS..PPolyproline II helixtrans-63.7126.7173.6-52.8-44.3000109.4A331 A333 C339 I343 I369 I382 N391 I397A331-F389 HydrophobicContact CB-CE2 4.47Å; A333-F389 HydrophobicContact CB-CB 4.04Å; C339-F389 WeakPolarHBondContact CB-O 3.45Å; C339-F389 PolarHBondContact O-N 2.87Å; C339-F389 PolarHBondContact SG-O 3.34Å; C339-F389 VanDerWaalsContact SG-O 3.4Å; I343-F389 HydrophobicContact CD1-CE2 4.46Å; I369-F389 HydrophobicContact CD1-CE1 4.23Å; I369-F389 HydrophobicContact CD1-CZ 4.29Å; I382-F389 HydrophobicContact CG1-CE1 4.48Å; I382-F389 HydrophobicContact CG1-CZ 4.47Å; F389-N391 PolarHBondContact O-N 3.34Å; F389-I397 HydrophobicContact CD1-CG2 4.24Å; F389-I397 HydrophobicContact CE1-CG2 3.44Å; F389-I397 VanDerWaalsContact CE1-CG2 3.44Å; F389-I397 HydrophobicContact CZ-CG2 3.92Å
390P89.4Confident92.5Very high45 Ų4557.1 Ų57.129%0.29233%0.327SS..PPolyproline II helixtrans-66.2132.8176.326.8-32.5000110.4G392 Q393 V395P390-G392 PolarHBondContact O-N 3.12Å; P390-Q393 HydrophobicContact CB-CB 4.01Å; P390-Q393 HydrophobicContact CG-CB 3.72Å; P390-Q393 HydrophobicContact CG-CG 3.89Å; P390-Q393 PolarHBondContact O-N 3.04Å; P390-V395 VanDerWaalsContact CD-CG2 3.49Å; P390-V395 HydrophobicContact CG-CG2 3.65Å
391N89.8Confident92.6Very high79 Ų7960.7 Ų60.742%0.42234%0.34SS..BIsolated β-bridgetrans-65130.2179.1-168.2-10.7000110.4A333 I334 N336 F389 Q393A333-N391 WeakPolarHBondContact O-CA 3.13Å; A333-N391 PolarHBondContact O-OD1 3.06Å; I334-N391 PolarHBondContact O-ND2 2.9Å; I334-N391 PolarHBondContact O-OD1 2.77Å; N336-N391 PolarHBondContact OD1-ND2 3.4Å; F389-N391 PolarHBondContact O-N 3.34Å; N391-Q393 PolarHBondContact O-N 3.03Å
392G87.4Confident92.6Very high46 Ų4658.7 Ų58.747%0.47433%0.331SS..THydrogen-bonded Turntrans78.6-8.1-179.500000114.9Q332 A333 P390Q332-G392 PolarHBondContact NE2-O 3.24Å; A333-G392 PolarHBondContact O-N 3.38Å; P390-G392 PolarHBondContact O-N 3.12Å
393Q91.7Very high92.7Very high122 Ų12261.7 Ų61.757%0.5734%0.344SS*.  trans-108.6135.7-178.9173.4178.725.200111.4P390 N391P390-Q393 HydrophobicContact CB-CB 4.01Å; P390-Q393 HydrophobicContact CG-CB 3.72Å; P390-Q393 HydrophobicContact CG-CG 3.89Å; P390-Q393 PolarHBondContact O-N 3.04Å; N391-Q393 PolarHBondContact O-N 3.03Å
394E92.2Very high92.7Very high69 Ų6958.9 Ų58.932%0.32233%0.334SS..EExtended strand (participates in β ladder)trans-80.4133.2177.3-172.8177.3-124.700111.1R305 F330 Q332R305-E394 IonicContact CZ-OE1 2.82Å; R305-E394 IonicContact CZ-OE2 2.73Å; R305-E394 IonicContact NE-OE1 3.56Å; R305-E394 PolarHBondContact NE-OE1 3.01Å; R305-E394 IonicContact NE-OE2 2.74Å; R305-E394 VanDerWaalsContact NH2-CD 3.31Å; R305-E394 IonicContact NH2-OE1 3.41Å; R305-E394 PolarHBondContact NH2-OE1 2.63Å; R305-E394 IonicContact NH2-OE2 3.16Å; R305-E394 PolarHBondContact NH2-OE2 3.49Å; F330-E394 HydrophobicContact CB-CG 3.53Å; F330-E394 WeakPolarHBondContact CB-OE1 3.21Å; F330-E394 HydrophobicContact CD1-CG 3.87Å; F330-E394 HydrophobicContact CG-CG 3.99Å; Q332-E394 HydrophobicContact CB-CB 4.44Å
395V94.7Very high92.8Very high29 Ų2957 Ų5718%0.17632%0.323CS..EExtended strand (participates in β ladder)trans-129.9129.7179.6-179.90000110.4F330 A331 P390 I397F330-V395 CarbonylContact C-O 3.26Å; F330-V395 VanDerWaalsContact CA-O 3.3Å; F330-V395 WeakPolarHBondContact CA-O 3.46Å; A331-V395 PolarHBondContact N-O 2.86Å; A331-V395 PolarHBondContact O-N 2.96Å; P390-V395 VanDerWaalsContact CD-CG2 3.49Å; P390-V395 HydrophobicContact CG-CG2 3.65Å; V395-I397 PolarHBondContact O-N 3.15Å
396G95.8Very high93Very high18 Ų1855.4 Ų55.419%0.18629%0.294CS..EExtended strand (participates in β ladder)trans-71.6115.2172.300000111.1M329 H366M329-G396 CarbonylContact O-C 3.51Å; M329-G396 WeakPolarHBondContact O-CA 3.36Å; H366-G396 WeakPolarHBondContact CB-O 3.34Å; H366-G396 PolarHBondContact CD2-O 3.37Å
397I95.8Very high93Very high1 Ų159.8 Ų59.81%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-102.1-31.1-17252.3164.7000113.6M329 A331 I343 H366 I380 F389 V395M329-I397 HydrophobicContact CB-CG1 4.28Å; M329-I397 HydrophobicContact CG-CD1 3.93Å; M329-I397 HydrophobicContact CG-CG1 3.95Å; M329-I397 VanDerWaalsContact O-CG1 3.27Å; M329-I397 WeakPolarHBondContact O-CG1 3.43Å; M329-I397 PolarHBondContact O-N 3.03Å; M329-I397 HydrophobicContact SD-CD1 3.73Å; M329-I397 HydrophobicContact SD-CG1 4.25Å; A331-I397 HydrophobicContact CB-CD1 3.84Å; A331-I397 HydrophobicContact CB-CG1 4.27Å; A331-I397 HydrophobicContact CB-CG2 3.92Å; I343-I397 HydrophobicContact CD1-CD1 3.6Å; H366-I397 PolarHBondContact N-O 2.83Å; I380-I397 HydrophobicContact CD1-CD1 4.14Å; I380-I397 HydrophobicContact CG2-CB 4.38Å; I380-I397 HydrophobicContact CG2-CD1 4.15Å; F389-I397 HydrophobicContact CD1-CG2 4.24Å; F389-I397 HydrophobicContact CE1-CG2 3.44Å; F389-I397 VanDerWaalsContact CE1-CG2 3.44Å; F389-I397 HydrophobicContact CZ-CG2 3.92Å; V395-I397 PolarHBondContact O-N 3.15Å
398L96.6Very high92.9Very high0 Ų053.8 Ų53.80%029%0.291CS..EExtended strand (participates in β ladder)trans-140.6133.8177.8178.569000108.9T328 M329 L363 T365 F374 I380 W400 I521T328-L398 CarbonylContact C-O 3.58Å; T328-L398 WeakPolarHBondContact CA-O 3.18Å; M329-L398 HydrophobicContact CB-CB 4.24Å; M329-L398 PolarHBondContact N-O 3.11Å; M329-L398 PolarHBondContact O-N 3.4Å; L363-L398 HydrophobicContact CB-CD1 4.5Å; T365-L398 HydrophobicContact CG2-CD1 4.05Å; F374-L398 HydrophobicContact CE1-CD1 3.72Å; F374-L398 HydrophobicContact CE2-CD1 4.43Å; F374-L398 HydrophobicContact CE2-CD2 4.2Å; F374-L398 HydrophobicContact CZ-CD1 3.64Å; F374-L398 HydrophobicContact CZ-CD2 3.8Å; F374-L398 HydrophobicContact CZ-CG 4.4Å; I380-L398 HydrophobicContact CD1-CB 4Å; I380-L398 HydrophobicContact CD1-CD2 4.16Å; L398-W400 HydrophobicContact CD2-CE3 4.36Å; L398-W400 HydrophobicContact CD2-CZ3 4.42Å; L398-W400 HydrophobicContact CG-CE3 4.15Å; L398-W400 HydrophobicContact CG-CZ3 4.37Å; L398-I521 HydrophobicContact CD2-CD1 4.36Å
399R97.1Very high92.9Very high154 Ų15450.8 Ų50.858%0.58127%0.271SS*.EExtended strand (participates in β ladder)trans-119.2148.1173-68.1-174.4175.3170.9-0.7109.8G327 T328 Q364G327-R399 WeakPolarHBondContact O-CA 3.24Å; T328-R399 HydrophobicContact CG2-CG 4Å; Q364-R399 HydrophobicContact CB-CB 4.47Å; Q364-R399 PolarHBondContact N-O 2.84Å; Q364-R399 PolarHBondContact O-N 2.9Å
400W96.3Very high93Very high6 Ų650.7 Ų50.72%0.02327%0.271CS..EExtended strand (participates in β ladder)trans-143.1153.8176.362.697.1000111.6I306 E308 G327 T328 M329 V361 Q362 L363 L398 I521I306-W400 HydrophobicContact CB-CH2 4.41Å; I306-W400 HydrophobicContact CG1-CH2 4.12Å; I306-W400 HydrophobicContact CG2-CH2 3.79Å; I306-W400 HydrophobicContact CG2-CZ2 3.67Å; E308-W400 HydrophobicContact CG-CZ2 3.71Å; E308-W400 PolarHBondContact OE1-NE1 3.32Å; G327-W400 VanDerWaalsContact CA-CE2 3.44Å; G327-W400 PolarHBondContact N-O 2.82Å; G327-W400 PolarHBondContact O-N 2.9Å; T328-W400 VanDerWaalsContact C-CH2 3.41Å; T328-W400 VanDerWaalsContact C-CZ3 3.48Å; M329-W400 HydrophobicContact CB-CH2 3.97Å; M329-W400 HydrophobicContact CB-CZ3 3.67Å; V361-W400 HydrophobicContact CG1-CB 3.53Å; V361-W400 HydrophobicContact CG1-CG 4.12Å; Q362-W400 VanDerWaalsContact O-CA 3.25Å; Q362-W400 WeakPolarHBondContact O-CA 3.33Å; L363-W400 HydrophobicContact CD2-CB 3.68Å; L398-W400 HydrophobicContact CD2-CE3 4.36Å; L398-W400 HydrophobicContact CD2-CZ3 4.42Å; L398-W400 HydrophobicContact CG-CE3 4.15Å; L398-W400 HydrophobicContact CG-CZ3 4.37Å; W400-I521 HydrophobicContact CB-CD1 4.48Å; W400-I521 HydrophobicContact CD2-CD1 3.21Å; W400-I521 HydrophobicContact CD2-CG1 4.44Å; W400-I521 HydrophobicContact CE3-CD1 3.27Å; W400-I521 HydrophobicContact CG-CD1 3.8Å; W400-I521 HydrophobicContact CH2-CD1 3.71Å; W400-I521 HydrophobicContact CZ2-CD1 3.64Å; W400-I521 HydrophobicContact CZ2-CG1 4.39Å; W400-I521 HydrophobicContact CZ3-CD1 3.51Å
401R95.4Very high93.2Very high76 Ų7648.5 Ų48.529%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-153.6151.4174.368.6179.4-150.5105.510.1111.9L325 Q326 Q362 Q403L325-R401 WeakPolarHBondContact O-CA 3.48Å; Q326-R401 HydrophobicContact CG-CB 4.36Å; Q362-R401 HydrophobicContact CB-CG 4.19Å; Q362-R401 PolarHBondContact N-O 2.92Å; Q362-R401 PolarHBondContact O-N 2.74Å; Q362-R401 VanDerWaalsContact O-N 3.09Å; Q362-R401 VanDerWaalsContact OE1-NE 3.14Å; R401-Q403 VanDerWaalsContact NH1-CD 3.31Å
402F93.8Very high93.4Very high4 Ų444.8 Ų44.82%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-142159161.977.9-95.1000110M323 L325 R358 P359 V361 T404 Y518 C519M323-F402 HydrophobicContact CE-CE2 4.16Å; M323-F402 HydrophobicContact CE-CZ 3.8Å; M323-F402 HydrophobicContact SD-CE2 4.36Å; L325-F402 HydrophobicContact CB-CD1 3.96Å; L325-F402 HydrophobicContact CB-CE1 3.49Å; L325-F402 VanDerWaalsContact CB-CE1 3.49Å; L325-F402 HydrophobicContact CB-CZ 3.81Å; L325-F402 HydrophobicContact CD1-CE1 3.92Å; L325-F402 HydrophobicContact CD1-CZ 4.36Å; L325-F402 HydrophobicContact CD2-CD1 4.45Å; L325-F402 HydrophobicContact CD2-CE1 4.21Å; L325-F402 HydrophobicContact CG-CE1 4.08Å; L325-F402 PolarHBondContact N-O 3.31Å; L325-F402 PolarHBondContact O-N 2.73Å; R358-F402 HydrophobicContact CG-CE2 4.49Å; R358-F402 HydrophobicContact CG-CZ 4.37Å; P359-F402 HydrophobicContact CG-CB 4.19Å; P359-F402 HydrophobicContact CG-CD2 3.76Å; P359-F402 HydrophobicContact CG-CG 4.33Å; V361-F402 HydrophobicContact CG2-CB 4.29Å; V361-F402 HydrophobicContact CG2-CD1 3.97Å; F402-T404 HydrophobicContact CD2-CG2 4.46Å; F402-T404 HydrophobicContact CE2-CG2 4.03Å; F402-Y518 HydrophobicContact CE1-CD1 4.11Å; F402-Y518 AromaticContact CE1-CE1 3.91Å; F402-Y518 HydrophobicContact CE1-CE1 3.91Å; F402-Y518 HydrophobicContact CZ-CD1 4.21Å; F402-Y518 AromaticContact CZ-CE1 3.62Å; F402-Y518 HydrophobicContact CZ-CE1 3.62Å; F402-C519 VanDerWaalsContact CE1-SG 3.58Å
403Q94.3Very high93.7Very high100 Ų10044 Ų4447%0.46722%0.223SC..EExtended strand (participates in β ladder)trans-136.2138.2176.5-73.6171.8-2800108M323 E324 P359 R401M323-Q403 CarbonylContact O-C 3.47Å; M323-Q403 VanDerWaalsContact O-CA 3.28Å; M323-Q403 WeakPolarHBondContact O-CA 3.31Å; E324-Q403 HydrophobicContact CB-CG 3.89Å; E324-Q403 HydrophobicContact CG-CG 3.71Å; E324-Q403 PolarHBondContact OE1-NE2 3.3Å; E324-Q403 PolarHBondContact OE2-NE2 2.83Å; P359-Q403 WeakPolarHBondContact CG-O 3.38Å; R401-Q403 VanDerWaalsContact NH1-CD 3.31Å
404T93.6Very high93.9Very high25 Ų2538.6 Ų38.615%0.15320%0.199CC..EExtended strand (participates in β ladder)trans-147.1160.6177.9-170.90000110.6M323 F402 D406 A409M323-T404 HydrophobicContact CB-CG2 3.93Å; M323-T404 HydrophobicContact CG-CG2 4.24Å; M323-T404 PolarHBondContact N-O 3.41Å; M323-T404 PolarHBondContact O-N 3.17Å; M323-T404 HydrophobicContact SD-CG2 3.86Å; F402-T404 HydrophobicContact CD2-CG2 4.46Å; F402-T404 HydrophobicContact CE2-CG2 4.03Å; T404-D406 WeakPolarHBondContact OG1-CB 3.4Å; T404-D406 PolarHBondContact OG1-N 3.03Å; T404-D406 VanDerWaalsContact OG1-N 3.13Å; T404-A409 HydrophobicContact CG2-CB 3.64Å
405S92.7Very high94Very high84 Ų8438.3 Ų38.359%0.58720%0.199SC*.  trans-121.315.3169.463.60000111.1
406D91.5Very high94Very high56 Ų5637.5 Ų37.530%0.29920%0.195SC..  trans-88.9116.4176.5-168-22.6000110.1L320 H357 T404 A408 A409L320-D406 VanDerWaalsContact CD2-O 3.22Å; L320-D406 WeakPolarHBondContact CD2-O 3.36Å; H357-D406 IonicContact CE1-OD2 3.86Å; H357-D406 IonicContact CG-OD2 3.58Å; H357-D406 IonicContact ND1-OD1 3.49Å; H357-D406 IonicContact ND1-OD2 2.75Å; H357-D406 PolarHBondContact ND1-OD2 2.76Å; T404-D406 WeakPolarHBondContact OG1-CB 3.4Å; T404-D406 PolarHBondContact OG1-N 3.03Å; T404-D406 VanDerWaalsContact OG1-N 3.13Å; D406-A408 PolarHBondContact O-N 2.8Å; D406-A408 WeakPolarHBondContact OD1-CB 3.34Å; D406-A408 PolarHBondContact OD1-N 3.26Å; D406-A408 VanDerWaalsContact OD1-N 3.12Å; D406-A409 WeakPolarHBondContact O-CB 3.3Å; D406-A409 PolarHBondContact O-N 3.45Å; D406-A409 VanDerWaalsContact O-N 3.09Å
407E90.6Very high93.9Very high108 Ų10843.8 Ų43.851%0.50521%0.213SC..G310 helixtrans-60.7-28.4-177.565.6-171.5-17200113.1L320 A409 L410L320-E407 HydrophobicContact CB-CB 3.99Å; E407-A409 PolarHBondContact O-N 2.61Å; E407-A409 VanDerWaalsContact O-N 3.14Å; E407-L410 WeakPolarHBondContact O-CB 3.33Å; E407-L410 WeakPolarHBondContact O-CG 3.33Å; E407-L410 PolarHBondContact O-N 2.88Å
408A89.7Confident93.7Very high34 Ų3444.8 Ų44.828%0.28122%0.22SC..G310 helixtrans-69.9-7.9177.900000113.3H357 D406H357-A408 HydrophobicContact CB-CB 3.83Å; H357-A408 VanDerWaalsContact CG-CB 3.49Å; D406-A408 PolarHBondContact O-N 2.8Å; D406-A408 WeakPolarHBondContact OD1-CB 3.34Å; D406-A408 PolarHBondContact OD1-N 3.26Å; D406-A408 VanDerWaalsContact OD1-N 3.12Å
409A91.7Very high93.6Very high1 Ų149 Ų491%0.00824%0.243CC..G310 helixtrans-85.6-11.3171.600000113.2M323 T404 D406 E407 Y518M323-A409 VanDerWaalsContact CE-O 3.31Å; M323-A409 WeakPolarHBondContact CE-O 3.49Å; M323-A409 HydrophobicContact SD-CB 3.89Å; T404-A409 HydrophobicContact CG2-CB 3.64Å; D406-A409 WeakPolarHBondContact O-CB 3.3Å; D406-A409 PolarHBondContact O-N 3.45Å; D406-A409 VanDerWaalsContact O-N 3.09Å; E407-A409 PolarHBondContact O-N 2.61Å; E407-A409 VanDerWaalsContact O-N 3.14Å; A409-Y518 PolarHBondContact O-OH 3.21Å
410L93.1Very high93.3Very high7 Ų749.1 Ų49.14%0.03725%0.249CC..  trans-62.2139.7179.9-71171.8000110.9V312 L320 M323 E407 I412 T413 Q434 Y548V312-L410 HydrophobicContact CB-CD2 4.35Å; V312-L410 HydrophobicContact CG1-CD2 3.65Å; V312-L410 HydrophobicContact CG2-CD2 3.66Å; L320-L410 HydrophobicContact CD1-CD1 4.34Å; L320-L410 HydrophobicContact CD1-CD2 3.94Å; L320-L410 HydrophobicContact CD1-CG 4.37Å; L320-L410 HydrophobicContact CD2-CD2 4.43Å; L320-L410 HydrophobicContact CD2-CG 4.38Å; M323-L410 HydrophobicContact SD-CD2 4.2Å; E407-L410 WeakPolarHBondContact O-CB 3.33Å; E407-L410 WeakPolarHBondContact O-CG 3.33Å; E407-L410 PolarHBondContact O-N 2.88Å; L410-I412 VanDerWaalsContact C-N 3.31Å; L410-T413 HydrophobicContact CB-CG2 4.38Å; L410-T413 HydrophobicContact CD1-CG2 4.27Å; L410-Q434 WeakPolarHBondContact O-CB 3.39Å; L410-Y548 HydrophobicContact CD2-CE2 4.49Å
411P93.3Very high93.1Very high0 Ų051.3 Ų51.30%026%0.261CS..SBendtrans-69.7-31.4175.726.3-33.1000112.5L310 L433 Q434 L438 F512 Y518 F543L310-P411 HydrophobicContact CD2-CG 3.66Å; P411-L433 WeakPolarHBondContact O-CD1 3.15Å; P411-Q434 PolarHBondContact O-N 2.73Å; P411-L438 HydrophobicContact CB-CD1 3.64Å; P411-F512 HydrophobicContact CG-CZ 3.86Å; P411-Y518 HydrophobicContact CB-CD2 4.05Å; P411-Y518 HydrophobicContact CB-CE2 3.79Å; P411-Y518 HydrophobicContact CG-CE2 4.46Å; P411-F543 HydrophobicContact CB-CE1 4.42Å; P411-F543 HydrophobicContact CB-CZ 4.47Å; P411-F543 HydrophobicContact CG-CZ 4.26Å
412I94.5Very high92.8Very high0 Ų054.5 Ų54.50%029%0.291CS..EExtended strand (participates in β ladder)trans-146.1137.6-179.5-172.6170.7000107.7L410 Y431 E432 L440 L443 L510 F512 Y548L410-I412 VanDerWaalsContact C-N 3.31Å; I412-Y431 HydrophobicContact CD1-CD2 3.81Å; I412-Y431 HydrophobicContact CD1-CG 4.21Å; I412-Y431 HydrophobicContact CG1-CD2 4.41Å; I412-E432 CarbonylContact C-O 3.55Å; I412-E432 WeakPolarHBondContact CA-O 3.42Å; I412-E432 WeakPolarHBondContact CG1-O 3.21Å; I412-L440 HydrophobicContact CB-CD1 4.08Å; I412-L440 HydrophobicContact CD1-CD1 4.06Å; I412-L440 HydrophobicContact CG2-CD1 4.25Å; I412-L443 HydrophobicContact CD1-CD1 4.36Å; I412-L443 HydrophobicContact CD1-CD2 3.55Å; I412-L510 HydrophobicContact CG2-CD2 4.14Å; I412-F512 HydrophobicContact CG2-CD1 4.4Å; I412-F512 HydrophobicContact CG2-CE1 3.69Å; I412-F512 HydrophobicContact CG2-CZ 4.25Å; I412-Y548 HydrophobicContact CG2-CE2 4.04Å; I412-Y548 PolarHBondContact O-OH 2.82Å
413T94.4Very high92.3Very high29 Ų2956.8 Ų56.818%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-105.6148.3172.1520000109.3L410 Y431 E432 Q434L410-T413 HydrophobicContact CB-CG2 4.38Å; L410-T413 HydrophobicContact CD1-CG2 4.27Å; T413-Y431 CarbonylContact O-C 3.55Å; T413-Y431 VanDerWaalsContact O-CA 3.27Å; T413-Y431 WeakPolarHBondContact O-CA 3.31Å; T413-E432 PolarHBondContact N-O 3.47Å; T413-E432 PolarHBondContact O-N 3.38Å; T413-E432 PolarHBondContact OG1-O 3.22Å; T413-Q434 HydrophobicContact CG2-CG 3.73Å; T413-Q434 PolarHBondContact OG1-NE2 2.85Å
414V94.8Very high92.1Very high10 Ų1052.1 Ų52.16%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-135.6128.8177.2175.60000109V429 E430 M445 L508 L510 I550V414-V429 HydrophobicContact CG1-CG1 3.91Å; V414-E430 CarbonylContact C-O 3.58Å; V414-E430 VanDerWaalsContact CA-O 3.31Å; V414-E430 WeakPolarHBondContact CA-O 3.36Å; V414-M445 HydrophobicContact CG1-SD 3.99Å; V414-M445 HydrophobicContact CG2-SD 3.69Å; V414-L508 HydrophobicContact CG1-CD2 4.1Å; V414-L510 HydrophobicContact CB-CD2 4.37Å; V414-L510 HydrophobicContact CG2-CD1 4.32Å; V414-L510 HydrophobicContact CG2-CD2 3.42Å; V414-L510 VanDerWaalsContact CG2-CD2 3.42Å; V414-L510 HydrophobicContact CG2-CG 4.2Å; V414-I550 HydrophobicContact CB-CD1 3.7Å; V414-I550 HydrophobicContact CG1-CD1 4.26Å
415N94.1Very high92.2Very high63 Ų6351.1 Ų51.134%0.33729%0.289SS..EExtended strand (participates in β ladder)trans-112132.6176.3-64.7-42.4000108.9V429 E430N415-V429 CarbonylContact O-C 3.45Å; N415-V429 VanDerWaalsContact O-CA 3.31Å; N415-V429 WeakPolarHBondContact O-CA 3.41Å; N415-E430 PolarHBondContact N-O 3.12Å; N415-E430 PolarHBondContact O-N 2.98Å
416C94.4Very high92.2Very high12 Ų1251.8 Ų51.88%0.08128%0.283CS..EExtended strand (participates in β ladder)trans-129.6116.8178.5-1800000109.7P418 V429 F506 L508C416-P418 WeakPolarHBondContact O-CD 3.21Å; C416-V429 HydrophobicContact CB-CG1 4.4Å; C416-V429 HydrophobicContact CB-CG2 4.34Å; C416-F506 HydrophobicContact CB-CE1 4.38Å; C416-F506 HydrophobicContact CB-CZ 4.15Å; C416-L508 HydrophobicContact CB-CD1 3.98Å; C416-L508 HydrophobicContact CB-CD2 3.7Å
417W93.7Very high92.4Very high149 Ų14949.1 Ų49.156%0.56427%0.268SS*.EExtended strand (participates in β ladder)trans-116.387.2-176.1-65.2104.6000110.9N419 N428W417-N419 PolarHBondContact O-N 3.06Å; W417-N428 PolarHBondContact N-O 3.41Å; W417-N428 PolarHBondContact O-N 2.99Å
418P93.1Very high92.6Very high23 Ų2345.6 Ų45.615%0.14925%0.253CS..EExtended strand (participates in β ladder)trans-77.4111.6169.730-33.3000111.1C416 F425 V427 A502 F505 F506C416-P418 WeakPolarHBondContact O-CD 3.21Å; P418-F425 HydrophobicContact CB-CD1 4.34Å; P418-V427 HydrophobicContact CB-CG1 4.36Å; P418-V427 HydrophobicContact CB-CG2 4.05Å; P418-A502 HydrophobicContact CB-CB 4.32Å; P418-A502 HydrophobicContact CG-CB 3.85Å; P418-F505 HydrophobicContact CB-CD2 3.63Å; P418-F505 HydrophobicContact CB-CE2 3.99Å; P418-F505 HydrophobicContact CB-CG 4.31Å; P418-F505 HydrophobicContact CG-CD2 4.25Å; P418-F506 HydrophobicContact CG-CE2 4.15Å
419N93Very high92.9Very high89 Ų8944 Ų4448%0.47624%0.24SC..EExtended strand (participates in β ladder)trans-99.7125.2175.9-64.9-48.7000110.6W417 I421 F425 E426W417-N419 PolarHBondContact O-N 3.06Å; N419-I421 PolarHBondContact O-N 2.85Å; N419-F425 CarbonylContact O-C 3.43Å; N419-F425 VanDerWaalsContact O-CA 3.28Å; N419-F425 WeakPolarHBondContact O-CA 3.25Å; N419-E426 WeakPolarHBondContact CA-O 3.48Å; N419-E426 WeakPolarHBondContact CB-O 3.28Å; N419-E426 PolarHBondContact N-O 2.73Å; N419-E426 PolarHBondContact O-N 3.17Å
420E92Very high93.1Very high155 Ų15548 Ų4872%0.72426%0.258SS*.EExtended strand (participates in β ladder)trans-72.4128.7176.5-169.6178.2175.500110.6F425E420-F425 HydrophobicContact CB-CD1 4.19Å; E420-F425 HydrophobicContact CB-CE1 3.79Å; E420-F425 HydrophobicContact CB-CZ 4.36Å; E420-F425 HydrophobicContact CG-CE1 4.14Å; E420-F425 HydrophobicContact CG-CZ 4.22Å
421I91.5Very high93.2Very high53 Ų5348.2 Ų48.227%0.27226%0.259SS..EExtended strand (participates in β ladder)trans-122.2161.5175.860.1168.3000109.7N419 G423 G424 E426 T493N419-I421 PolarHBondContact O-N 2.85Å; I421-G423 PolarHBondContact O-N 2.76Å; I421-G424 VanDerWaalsContact CG1-C 3.46Å; I421-G424 WeakPolarHBondContact CG1-O 3.15Å; I421-G424 PolarHBondContact N-O 2.71Å; I421-G424 PolarHBondContact O-N 3.27Å; I421-E426 HydrophobicContact CD1-CB 4.46Å; I421-E426 HydrophobicContact CG2-CB 4.06Å; I421-T493 HydrophobicContact CD1-CG2 3.55Å
422P87.9Confident93.3Very high142 Ų14253.1 Ų53.192%0.92228%0.282SS*.THydrogen-bonded Turntrans-55103.8177.5-27.436.1000112.9
423G84.3Confident93.3Very high52 Ų5253.8 Ų53.854%0.53629%0.285SS..THydrogen-bonded Turntrans88.216.9178.700000115.8I421 K495 T496I421-G423 PolarHBondContact O-N 2.76Å; G423-K495 WeakPolarHBondContact O-CA 3.27Å; G423-T496 PolarHBondContact O-N 3.33Å
424G90.9Very high93.2Very high3 Ų356 Ų563%0.03129%0.294CS..EExtended strand (participates in β ladder)trans178.7-161.3-177.100000115.1I421 L494 T496I421-G424 VanDerWaalsContact CG1-C 3.46Å; I421-G424 WeakPolarHBondContact CG1-O 3.15Å; I421-G424 PolarHBondContact N-O 2.71Å; I421-G424 PolarHBondContact O-N 3.27Å; G424-L494 CarbonylContact C-O 3.39Å; G424-L494 WeakPolarHBondContact CA-O 3.44Å; G424-T496 WeakPolarHBondContact CA-OG1 3.45Å
425F94Very high92.8Very high4 Ų456.9 Ų56.92%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-130.8144.9171.7-71.3-93.1000110.3P418 N419 E420 V427 T493 L494 T496 A500 A502 F505P418-F425 HydrophobicContact CB-CD1 4.34Å; N419-F425 CarbonylContact O-C 3.43Å; N419-F425 VanDerWaalsContact O-CA 3.28Å; N419-F425 WeakPolarHBondContact O-CA 3.25Å; E420-F425 HydrophobicContact CB-CD1 4.19Å; E420-F425 HydrophobicContact CB-CE1 3.79Å; E420-F425 HydrophobicContact CB-CZ 4.36Å; E420-F425 HydrophobicContact CG-CE1 4.14Å; E420-F425 HydrophobicContact CG-CZ 4.22Å; F425-V427 HydrophobicContact CB-CG2 4.1Å; F425-T493 CarbonylContact O-C 3.56Å; F425-T493 WeakPolarHBondContact O-CA 3.36Å; F425-L494 PolarHBondContact N-O 2.75Å; F425-L494 PolarHBondContact O-N 2.96Å; F425-T496 HydrophobicContact CD2-CG2 3.89Å; F425-T496 HydrophobicContact CE2-CG2 4.26Å; F425-A500 HydrophobicContact CE2-CB 3.84Å; F425-A500 WeakPolarHBondContact CZ-O 3.39Å; F425-A502 HydrophobicContact CE1-CB 4.26Å; F425-F505 HydrophobicContact CB-CE2 3.88Å; F425-F505 HydrophobicContact CB-CZ 3.75Å; F425-F505 AromaticContact CD1-CE2 3.91Å; F425-F505 HydrophobicContact CD1-CE2 3.91Å; F425-F505 AromaticContact CD2-CE2 3.87Å; F425-F505 HydrophobicContact CD2-CE2 3.87Å; F425-F505 HydrophobicContact CD2-CZ 4.1Å; F425-F505 HydrophobicContact CE1-CE2 4.45Å; F425-F505 HydrophobicContact CE2-CE2 4.42Å; F425-F505 AromaticContact CG-CE2 3.6Å; F425-F505 HydrophobicContact CG-CE2 3.6Å; F425-F505 AromaticContact CG-CZ 3.91Å; F425-F505 HydrophobicContact CG-CZ 3.91Å
426E94.3Very high92.5Very high98 Ų9857.5 Ų57.546%0.45831%0.305SS..EExtended strand (participates in β ladder)trans-107119162.4-179.7171.5-149.800107.1N419 I421N419-E426 WeakPolarHBondContact CA-O 3.48Å; N419-E426 WeakPolarHBondContact CB-O 3.28Å; N419-E426 PolarHBondContact N-O 2.73Å; N419-E426 PolarHBondContact O-N 3.17Å; I421-E426 HydrophobicContact CD1-CB 4.46Å; I421-E426 HydrophobicContact CG2-CB 4.06Å
427V95.1Very high92.1Very high0 Ų063 Ų630%033%0.333CS..EExtended strand (participates in β ladder)trans-117.4125.6-173.5-171.90000108.5P418 F425 V429 E491 F492 F505P418-V427 HydrophobicContact CB-CG1 4.36Å; P418-V427 HydrophobicContact CB-CG2 4.05Å; F425-V427 HydrophobicContact CB-CG2 4.1Å; V427-V429 HydrophobicContact CG1-CG2 3.99Å; V427-E491 WeakPolarHBondContact O-CA 3.35Å; V427-F492 HydrophobicContact CB-CD1 4.16Å; V427-F492 HydrophobicContact CB-CD2 4.29Å; V427-F492 HydrophobicContact CB-CE1 3.67Å; V427-F492 HydrophobicContact CB-CE2 3.82Å; V427-F492 HydrophobicContact CB-CG 4.45Å; V427-F492 HydrophobicContact CB-CZ 3.49Å; V427-F492 VanDerWaalsContact CB-CZ 3.49Å; V427-F492 HydrophobicContact CG1-CE1 3.75Å; V427-F492 HydrophobicContact CG1-CE2 4.48Å; V427-F492 HydrophobicContact CG1-CZ 3.68Å; V427-F492 HydrophobicContact CG2-CD2 4.4Å; V427-F492 HydrophobicContact CG2-CE1 4.43Å; V427-F492 HydrophobicContact CG2-CE2 3.72Å; V427-F492 HydrophobicContact CG2-CZ 3.75Å; V427-F492 PolarHBondContact N-O 2.8Å; V427-F492 PolarHBondContact O-N 2.9Å; V427-F505 HydrophobicContact CG2-CD1 4.16Å; V427-F505 HydrophobicContact CG2-CE1 3.73Å; V427-F505 HydrophobicContact CG2-CE2 4.14Å; V427-F505 HydrophobicContact CG2-CZ 3.72Å
428N95.5Very high91.9Very high34 Ų3456.1 Ų56.118%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-112.3127.3170.9-177.2-27.6000108.7W417 E430 E491W417-N428 PolarHBondContact N-O 3.41Å; W417-N428 PolarHBondContact O-N 2.99Å; N428-E430 VanDerWaalsContact OD1-CG 3.32Å; N428-E430 WeakPolarHBondContact OD1-CG 3.27Å; N428-E491 HydrophobicContact CB-CG 4.32Å; N428-E491 PolarHBondContact ND2-OE1 2.82Å
429V95.6Very high91.9Very high0 Ų058 Ų580%031%0.314CS..EExtended strand (participates in β ladder)trans-122.1128177.2-167.50000109V414 N415 C416 V427 I447 W476 S489 L490 F492 L508V414-V429 HydrophobicContact CG1-CG1 3.91Å; N415-V429 CarbonylContact O-C 3.45Å; N415-V429 VanDerWaalsContact O-CA 3.31Å; N415-V429 WeakPolarHBondContact O-CA 3.41Å; C416-V429 HydrophobicContact CB-CG1 4.4Å; C416-V429 HydrophobicContact CB-CG2 4.34Å; V427-V429 HydrophobicContact CG1-CG2 3.99Å; V429-I447 HydrophobicContact CB-CD1 4.45Å; V429-I447 HydrophobicContact CG1-CD1 4.47Å; V429-I447 HydrophobicContact CG2-CD1 3.8Å; V429-W476 HydrophobicContact CB-CE3 4.37Å; V429-W476 HydrophobicContact CB-CZ3 4.03Å; V429-W476 HydrophobicContact CG1-CE3 4.21Å; V429-W476 HydrophobicContact CG1-CZ3 3.89Å; V429-W476 WeakPolarHBondContact O-CZ3 3.42Å; V429-S489 CarbonylContact O-C 3.55Å; V429-S489 WeakPolarHBondContact O-CA 3.33Å; V429-L490 PolarHBondContact N-O 3.28Å; V429-L490 PolarHBondContact O-N 3.23Å; V429-F492 HydrophobicContact CG2-CE1 4.36Å; V429-L508 HydrophobicContact CG1-CD2 4.2Å
430E95.8Very high92.1Very high85 Ų8553.8 Ų53.840%0.39729%0.291SS..EExtended strand (participates in β ladder)trans-128.1145.1-179.4-60.4177.4171.900109.5V414 N415 N428 G488V414-E430 CarbonylContact C-O 3.58Å; V414-E430 VanDerWaalsContact CA-O 3.31Å; V414-E430 WeakPolarHBondContact CA-O 3.36Å; N415-E430 PolarHBondContact N-O 3.12Å; N415-E430 PolarHBondContact O-N 2.98Å; N428-E430 VanDerWaalsContact OD1-CG 3.32Å; N428-E430 WeakPolarHBondContact OD1-CG 3.27Å; E430-G488 WeakPolarHBondContact CA-O 3.17Å
431Y95.3Very high92.2Very high11 Ų1148.4 Ų48.44%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-122.4153.917074.4-88.8000111.2I412 T413 M445 W476 I478 V481 S487 G488I412-Y431 HydrophobicContact CD1-CD2 3.81Å; I412-Y431 HydrophobicContact CD1-CG 4.21Å; I412-Y431 HydrophobicContact CG1-CD2 4.41Å; T413-Y431 CarbonylContact O-C 3.55Å; T413-Y431 VanDerWaalsContact O-CA 3.27Å; T413-Y431 WeakPolarHBondContact O-CA 3.31Å; Y431-M445 HydrophobicContact CD1-CE 3.64Å; Y431-M445 HydrophobicContact CE1-CE 4.47Å; Y431-M445 HydrophobicContact CG-CE 4.08Å; Y431-W476 AromaticContact CD1-CH2 3.56Å; Y431-W476 HydrophobicContact CD1-CH2 3.56Å; Y431-W476 HydrophobicContact CD1-CZ2 4.04Å; Y431-W476 HydrophobicContact CD1-CZ3 4.16Å; Y431-W476 AromaticContact CE1-CH2 3.94Å; Y431-W476 HydrophobicContact CE1-CH2 3.94Å; Y431-W476 AromaticContact CE1-CZ2 3.96Å; Y431-W476 HydrophobicContact CE1-CZ2 3.96Å; Y431-I478 HydrophobicContact CD1-CD1 3.65Å; Y431-I478 HydrophobicContact CE1-CD1 2.95Å; Y431-I478 HydrophobicContact CE1-CG1 4.45Å; Y431-I478 VanDerWaalsContact CZ-CD1 3.47Å; Y431-V481 HydrophobicContact CD2-CG1 4.23Å; Y431-V481 HydrophobicContact CE2-CB 4.35Å; Y431-V481 HydrophobicContact CE2-CG1 3.62Å; Y431-V481 HydrophobicContact CE2-CG2 3.74Å; Y431-S487 VanDerWaalsContact CZ-C 3.44Å; Y431-S487 VanDerWaalsContact O-CA 3.23Å; Y431-S487 WeakPolarHBondContact O-CA 3.49Å; Y431-S487 WeakPolarHBondContact O-CB 3.41Å; Y431-S487 PolarHBondContact OH-O 3.39Å; Y431-G488 WeakPolarHBondContact CD1-O 3.45Å; Y431-G488 VanDerWaalsContact CE1-N 3.27Å; Y431-G488 VanDerWaalsContact CZ-N 3.29Å; Y431-G488 PolarHBondContact N-O 2.8Å; Y431-G488 PolarHBondContact O-N 2.84Å
432E95.2Very high92.3Very high104 Ų10449.3 Ų49.349%0.48627%0.271SS..EExtended strand (participates in β ladder)trans-142.5125.6173.6-172.9177.4-167.200110.9I412 T413 S486I412-E432 CarbonylContact C-O 3.55Å; I412-E432 WeakPolarHBondContact CA-O 3.42Å; I412-E432 WeakPolarHBondContact CG1-O 3.21Å; T413-E432 PolarHBondContact N-O 3.47Å; T413-E432 PolarHBondContact O-N 3.38Å; T413-E432 PolarHBondContact OG1-O 3.22Å; E432-S486 CarbonylContact C-O 3.56Å; E432-S486 WeakPolarHBondContact CA-O 3.36Å
433L95.2Very high92.7Very high14 Ų1442.6 Ų42.67%0.07323%0.227CC..EExtended strand (participates in β ladder)trans-72.6124173.4-176.273.1000109.4P411 L438 L440 V481 S486P411-L433 WeakPolarHBondContact O-CD1 3.15Å; L433-L438 HydrophobicContact CD1-CB 4.46Å; L433-L440 HydrophobicContact CD1-CD1 3.87Å; L433-L440 HydrophobicContact CD1-CG 4.05Å; L433-V481 HydrophobicContact CB-CG1 4.02Å; L433-V481 HydrophobicContact CD1-CG1 4.29Å; L433-V481 HydrophobicContact CD2-CG1 4.46Å; L433-V481 HydrophobicContact CG-CG1 4.5Å; L433-S486 WeakPolarHBondContact CB-O 3.44Å; L433-S486 PolarHBondContact N-O 3.01Å
434Q92Very high93.3Very high76 Ų7641.2 Ų41.236%0.35521%0.209SC..SBendtrans-95-29.9-176.5-63-61.1-43.100112.9L410 P411 T413 P436L410-Q434 WeakPolarHBondContact O-CB 3.39Å; P411-Q434 PolarHBondContact O-N 2.73Å; T413-Q434 HydrophobicContact CG2-CG 3.73Å; T413-Q434 PolarHBondContact OG1-NE2 2.85Å; Q434-P436 WeakPolarHBondContact O-CD 3.45Å
435D86.8Confident93.6Very high27 Ų2741.1 Ų41.114%0.14421%0.207CC..  trans-106.2105.2178.7-168.6-28.2000110.1R358 I437 L438R358-D435 IonicContact NH2-OD2 3.68Å; R358-D435 PolarHBondContact NH2-OD2 3.43Å; R358-D435 VanDerWaalsContact NH2-OD2 3.11Å; D435-I437 PolarHBondContact O-N 3.11Å; D435-I437 VanDerWaalsContact O-N 3.16Å; D435-I437 WeakPolarHBondContact OD1-CB 3.27Å; D435-I437 PolarHBondContact OD1-N 3.49Å; D435-I437 VanDerWaalsContact OD1-N 3.13Å; D435-L438 HydrophobicContact CB-CB 4.49Å; D435-L438 HydrophobicContact CB-CD1 3.64Å; D435-L438 HydrophobicContact CB-CG 3.94Å; D435-L438 WeakPolarHBondContact O-CB 3.38Å; D435-L438 PolarHBondContact O-N 3Å; D435-L438 VanDerWaalsContact O-N 3.15Å
436P85.9Confident93.7Very high77 Ų7741.9 Ų41.950%0.521%0.213SC..THydrogen-bonded Turntrans-69.8-12.2-173.728.8-35.9000113.7Q434 N483Q434-P436 WeakPolarHBondContact O-CD 3.45Å; P436-N483 HydrophobicContact CB-CB 4.43Å; P436-N483 WeakPolarHBondContact CB-OD1 3.31Å
437I86.7Confident93.7Very high128 Ų12837.2 Ų37.266%0.65619%0.191SC*.THydrogen-bonded Turntrans-79-28.5177.3-60.4172.8000110.3D435 K516D435-I437 PolarHBondContact O-N 3.11Å; D435-I437 VanDerWaalsContact O-N 3.16Å; D435-I437 WeakPolarHBondContact OD1-CB 3.27Å; D435-I437 PolarHBondContact OD1-N 3.49Å; D435-I437 VanDerWaalsContact OD1-N 3.13Å; I437-K516 WeakPolarHBondContact O-CD 3.31Å; I437-K516 PolarHBondContact O-NZ 3.37Å
438L90.2Very high93.7Very high3 Ų338.7 Ų38.72%0.01620%0.201CC..  trans-71.5150.8-179.2-67.2174.1000111.9P411 L433 D435 L440 Y518 F543P411-L438 HydrophobicContact CB-CD1 3.64Å; L433-L438 HydrophobicContact CD1-CB 4.46Å; D435-L438 HydrophobicContact CB-CB 4.49Å; D435-L438 HydrophobicContact CB-CD1 3.64Å; D435-L438 HydrophobicContact CB-CG 3.94Å; D435-L438 WeakPolarHBondContact O-CB 3.38Å; D435-L438 PolarHBondContact O-N 3Å; D435-L438 VanDerWaalsContact O-N 3.15Å; L438-L440 HydrophobicContact CB-CD2 4.26Å; L438-Y518 HydrophobicContact CD1-CD2 3.53Å; L438-Y518 HydrophobicContact CD1-CE2 3.94Å; L438-Y518 HydrophobicContact CD2-CD2 4.37Å; L438-Y518 HydrophobicContact CG-CD2 4.46Å; L438-F543 HydrophobicContact CD1-CE1 4.37Å; L438-F543 HydrophobicContact CD2-CD1 4.44Å
439E93.7Very high93.6Very high63 Ų6337.6 Ų37.629%0.29420%0.195SC..  trans-134108.5170.3175.7171.6178.300106.4I480 V481 N482 S514 K516E439-I480 HydrophobicContact CG-CG2 4.11Å; E439-V481 WeakPolarHBondContact CA-O 3.35Å; E439-N482 HydrophobicContact CB-CB 4.31Å; E439-N482 HydrophobicContact CG-CB 4.12Å; E439-S514 WeakPolarHBondContact O-CB 3.29Å; E439-S514 PolarHBondContact O-OG 3.11Å; E439-K516 HydrophobicContact CB-CD 4.46Å; E439-K516 IonicContact OE2-NZ 3.62Å
440L95.6Very high93.2Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-90.9129.4-177.7-48.5-177.7000108.6I412 L433 L438 I480 V481 F512 G513 F543I412-L440 HydrophobicContact CB-CD1 4.08Å; I412-L440 HydrophobicContact CD1-CD1 4.06Å; I412-L440 HydrophobicContact CG2-CD1 4.25Å; L433-L440 HydrophobicContact CD1-CD1 3.87Å; L433-L440 HydrophobicContact CD1-CG 4.05Å; L438-L440 HydrophobicContact CB-CD2 4.26Å; L440-I480 CarbonylContact O-C 3.57Å; L440-I480 VanDerWaalsContact O-CA 3.3Å; L440-I480 WeakPolarHBondContact O-CA 3.21Å; L440-V481 HydrophobicContact CB-CB 4.25Å; L440-V481 PolarHBondContact N-O 3.08Å; L440-V481 PolarHBondContact O-N 3.05Å; L440-F512 HydrophobicContact CB-CB 4.4Å; L440-F512 HydrophobicContact CB-CD2 4.41Å; L440-F512 HydrophobicContact CD1-CD1 4.43Å; L440-F512 HydrophobicContact CD1-CD2 4.23Å; L440-F512 HydrophobicContact CD1-CE2 4.36Å; L440-F512 HydrophobicContact CD1-CG 4.27Å; L440-F512 HydrophobicContact CD2-CD2 3.77Å; L440-F512 HydrophobicContact CD2-CE2 3.83Å; L440-F512 HydrophobicContact CG-CD2 4.35Å; L440-G513 CarbonylContact C-O 3.6Å; L440-G513 WeakPolarHBondContact CA-O 3.39Å; L440-F543 HydrophobicContact CD2-CE1 4.48Å
441E94.8Very high92.5Very high43 Ų4337.6 Ų37.620%0.20120%0.203CC..EExtended strand (participates in β ladder)trans-106.9141.5178.3-65.1178.4-163.900110.2Q293 L443 P479 G513 N515Q293-E441 PolarHBondContact NE2-OE2 3.25Å; Q293-E441 VanDerWaalsContact NE2-OE2 3.16Å; E441-L443 PolarHBondContact O-N 2.93Å; E441-P479 WeakPolarHBondContact CA-O 3.41Å; E441-G513 PolarHBondContact N-O 3.26Å; E441-G513 PolarHBondContact O-N 2.82Å; E441-N515 PolarHBondContact OE1-ND2 2.63Å
442N93.8Very high91.2Very high72 Ų7241.1 Ų41.139%0.38523%0.229SC..EExtended strand (participates in β ladder)trans52.949.1175.6-55.5-67.5000112.8V444 P479N442-V444 PolarHBondContact O-N 2.93Å; N442-P479 PolarHBondContact N-O 2.82Å
443L96.1Very high90.1Very high0 Ų037.7 Ų37.70%022%0.215CC..EExtended strand (participates in β ladder)trans-64.4121.7174.1176.165.2000109.4I412 E441 M445 R477 I478 V481 N511 F512I412-L443 HydrophobicContact CD1-CD1 4.36Å; I412-L443 HydrophobicContact CD1-CD2 3.55Å; E441-L443 PolarHBondContact O-N 2.93Å; L443-M445 HydrophobicContact CD1-CG 4.37Å; L443-M445 HydrophobicContact CD2-CE 4.04Å; L443-M445 HydrophobicContact CG-CG 4.39Å; L443-R477 CarbonylContact O-C 3.51Å; L443-R477 WeakPolarHBondContact O-CA 3.47Å; L443-I478 HydrophobicContact CB-CB 4.3Å; L443-I478 HydrophobicContact CD2-CD1 4.35Å; L443-I478 PolarHBondContact N-O 3.02Å; L443-I478 PolarHBondContact O-N 2.77Å; L443-V481 HydrophobicContact CB-CG2 4.39Å; L443-V481 HydrophobicContact CD2-CG2 3.75Å; L443-N511 CarbonylContact C-O 3.6Å; L443-N511 WeakPolarHBondContact CA-O 3.4Å; L443-F512 HydrophobicContact CB-CB 4.31Å; L443-F512 HydrophobicContact CD1-CB 3.93Å; L443-F512 HydrophobicContact CD1-CD1 3.75Å; L443-F512 HydrophobicContact CD1-CG 4.27Å
444V96.8Very high89.3Confident23 Ų2344.3 Ų44.314%0.13924%0.243CC..EExtended strand (participates in β ladder)trans-124119.3175.1-175.80000108.8N442 D475 W476 R477 L510 N511N442-V444 PolarHBondContact O-N 2.93Å; V444-D475 HydrophobicContact CG1-CB 4.37Å; V444-W476 CarbonylContact C-O 3.59Å; V444-W476 VanDerWaalsContact CA-O 3.28Å; V444-W476 WeakPolarHBondContact CA-O 3.24Å; V444-R477 HydrophobicContact CG1-CG 4.44Å; V444-R477 HydrophobicContact CG2-CG 4.26Å; V444-L510 CarbonylContact O-C 3.6Å; V444-L510 WeakPolarHBondContact O-CA 3.24Å; V444-N511 PolarHBondContact N-O 3.13Å; V444-N511 PolarHBondContact O-N 2.78Å
445M96.3Very high88.9Confident1 Ų145.7 Ų45.71%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-106.1111.2172.7-58.6-172.1-100.300109.1V414 Y431 L443 W476 I478 K509 L510V414-M445 HydrophobicContact CG1-SD 3.99Å; V414-M445 HydrophobicContact CG2-SD 3.69Å; Y431-M445 HydrophobicContact CD1-CE 3.64Å; Y431-M445 HydrophobicContact CE1-CE 4.47Å; Y431-M445 HydrophobicContact CG-CE 4.08Å; L443-M445 HydrophobicContact CD1-CG 4.37Å; L443-M445 HydrophobicContact CD2-CE 4.04Å; L443-M445 HydrophobicContact CG-CG 4.39Å; M445-W476 HydrophobicContact CB-CB 4.31Å; M445-W476 HydrophobicContact CE-CD2 3.66Å; M445-W476 HydrophobicContact CE-CE3 3.14Å; M445-W476 HydrophobicContact CE-CG 4.49Å; M445-W476 HydrophobicContact CE-CH2 3.83Å; M445-W476 HydrophobicContact CE-CZ2 4.28Å; M445-W476 HydrophobicContact CE-CZ3 3.24Å; M445-W476 PolarHBondContact N-O 3.4Å; M445-W476 PolarHBondContact O-N 3.29Å; M445-W476 HydrophobicContact SD-CE3 3.96Å; M445-W476 HydrophobicContact SD-CZ3 4.12Å; M445-I478 HydrophobicContact CE-CD1 4.09Å; M445-K509 CarbonylContact C-O 3.59Å; M445-K509 WeakPolarHBondContact CA-O 3.34Å; M445-L510 HydrophobicContact CG-CG 4.09Å
446S96.6Very high89Confident20 Ų2045 Ų4514%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-92.9115.5175.7-62.80000109.8D475 K509S446-D475 VanDerWaalsContact CB-OD1 3.27Å; S446-D475 WeakPolarHBondContact CB-OD1 3.32Å; S446-D475 PolarHBondContact OG-OD1 3.38Å; S446-K509 PolarHBondContact N-O 3.16Å; S446-K509 PolarHBondContact O-N 2.82Å
447I95.8Very high89.2Confident0 Ų046.9 Ų46.90%026%0.261CS..EExtended strand (participates in β ladder)trans-105.3112.6178.9-57.2152.3000108.2V429 Q473 L474 L490 F492 F505 L508V429-I447 HydrophobicContact CB-CD1 4.45Å; V429-I447 HydrophobicContact CG1-CD1 4.47Å; V429-I447 HydrophobicContact CG2-CD1 3.8Å; I447-Q473 CarbonylContact O-C 3.49Å; I447-Q473 VanDerWaalsContact O-CA 3.26Å; I447-Q473 WeakPolarHBondContact O-CA 3.24Å; I447-Q473 WeakPolarHBondContact O-CB 3.42Å; I447-L474 HydrophobicContact CB-CB 4.48Å; I447-L474 HydrophobicContact CD1-CD2 4.43Å; I447-L474 PolarHBondContact N-O 3.07Å; I447-L474 PolarHBondContact O-N 3.36Å; I447-L490 HydrophobicContact CD1-CD2 4Å; I447-F492 HydrophobicContact CD1-CE1 4.24Å; I447-F492 HydrophobicContact CG2-CZ 4.24Å; I447-F505 HydrophobicContact CG2-CD1 4.32Å; I447-L508 HydrophobicContact CG1-CD2 4.16Å; I447-L508 HydrophobicContact CG1-CG 4.28Å
448P94.9Very high89.5Confident31 Ų3142.7 Ų42.720%0.20124%0.239CC..EExtended strand (participates in β ladder)trans-55.2143.1171.2-26.434.8000111.9F505 P507P448-F505 WeakPolarHBondContact CD-O 3.38Å; P448-F505 WeakPolarHBondContact O-CA 3.18Å; P448-F505 WeakPolarHBondContact O-CD1 3.5Å; P448-P507 VanDerWaalsContact CD-O 3.24Å; P448-P507 WeakPolarHBondContact CD-O 3.49Å; P448-P507 WeakPolarHBondContact CG-O 3.25Å
449L92.8Very high89.5Confident12 Ų1245.2 Ų45.26%0.06327%0.266CS..  trans-114.9144.1175.6-60178.2000109.6P456 V467 N472 L474 F492 L494 F505L449-P456 HydrophobicContact CD1-CG 4.34Å; L449-V467 HydrophobicContact CD1-CG1 4.49Å; L449-N472 PolarHBondContact N-O 2.81Å; L449-L474 HydrophobicContact CD1-CB 4.24Å; L449-L474 HydrophobicContact CD2-CB 4.23Å; L449-L474 HydrophobicContact CG-CB 4.37Å; L449-F492 HydrophobicContact CD2-CE2 3.9Å; L449-F492 HydrophobicContact CD2-CZ 4.17Å; L449-L494 HydrophobicContact CD2-CD1 4.3Å; L449-F505 HydrophobicContact CD2-CD1 4.4Å; L449-F505 HydrophobicContact CD2-CE1 4.16Å
450P88.1Confident89.3Confident3 Ų345.7 Ų45.72%0.01927%0.27CS..  trans-51.6144.4172.4-29.535.5000113T453 L494 T496 Q504 F505P450-T453 HydrophobicContact CB-CG2 3.72Å; P450-T453 HydrophobicContact CG-CG2 4.4Å; P450-T453 WeakPolarHBondContact O-CG2 3.46Å; P450-T453 PolarHBondContact O-OG1 2.83Å; P450-L494 HydrophobicContact CG-CD2 3.86Å; P450-T496 HydrophobicContact CB-CG2 4.13Å; P450-T496 HydrophobicContact CG-CG2 4.06Å; P450-Q504 HydrophobicContact CB-CB 4.41Å; P450-Q504 HydrophobicContact CG-CB 3.97Å; P450-F505 HydrophobicContact CG-CE1 4.26Å; P450-F505 HydrophobicContact CG-CE2 4.25Å; P450-F505 HydrophobicContact CG-CZ 3.92Å
451P79.9Confident89.2Confident82 Ų8247.1 Ų47.153%0.53228%0.28SS..THydrogen-bonded Turntrans-55154.7174-22.732.3000112.6T453P451-T453 PolarHBondContact O-N 3.22Å
452S68Low89Confident84 Ų8448.2 Ų48.259%0.58729%0.287SS*.THydrogen-bonded Turntrans55.720.7175.1580000116.6E497S452-E497 WeakPolarHBondContact CB-OE1 3.49Å; S452-E497 PolarHBondContact OG-OE1 3.33Å
453T71.6Confident88.8Confident32 Ų3247.1 Ų47.120%0.19629%0.293CS..PPolyproline II helixtrans-76.3145.3177.448.20000112.3P450 P451 L494 T496P450-T453 HydrophobicContact CB-CG2 3.72Å; P450-T453 HydrophobicContact CG-CG2 4.4Å; P450-T453 WeakPolarHBondContact O-CG2 3.46Å; P450-T453 PolarHBondContact O-OG1 2.83Å; P451-T453 PolarHBondContact O-N 3.22Å; T453-L494 VanDerWaalsContact CB-CD1 3.48Å; T453-L494 HydrophobicContact CG2-CD1 3.62Å; T453-L494 HydrophobicContact CG2-CD2 3.69Å; T453-L494 HydrophobicContact CG2-CG 3.77Å; T453-T496 HydrophobicContact CG2-CG2 3.93Å
454K79.8Confident88.7Confident154 Ų15453.3 Ų53.367%0.6732%0.322SS*.PPolyproline II helixtrans-67.9154.7161.7-70.2-175179.3-1770108.5
455P83Confident88.5Confident104 Ų10457.9 Ų57.968%0.67534%0.337SS*.PPolyproline II helixtrans-48.3136.7173.9-27.234.4000111.3
456P88.6Confident88.4Confident12 Ų1262.2 Ų62.28%0.07836%0.358CS..PPolyproline II helixtrans-62.8144.5-179.727.1-34.4000110.7L449 I458 V467 F492 T493 L494L449-P456 HydrophobicContact CD1-CG 4.34Å; P456-I458 HydrophobicContact CB-CD1 4.17Å; P456-I458 HydrophobicContact CG-CD1 4.06Å; P456-I458 PolarHBondContact O-N 3.02Å; P456-V467 HydrophobicContact CG-CG2 3.87Å; P456-F492 HydrophobicContact CB-CB 4.24Å; P456-F492 HydrophobicContact CB-CD2 3.71Å; P456-F492 HydrophobicContact CB-CE2 4.49Å; P456-F492 HydrophobicContact CB-CG 4.29Å; P456-T493 WeakPolarHBondContact CA-O 3.39Å; P456-L494 HydrophobicContact CB-CD1 4.47Å
457L91.1Very high88.2Confident118 Ų11863.3 Ų63.362%0.61836%0.364SS*.EExtended strand (participates in β ladder)trans-85.4105.1169-66.8171.1000107.4F492 T493L457-F492 CarbonylContact O-C 3.57Å; L457-F492 WeakPolarHBondContact O-CA 3.38Å; L457-T493 PolarHBondContact N-O 2.82Å; L457-T493 PolarHBondContact O-N 3.04Å
458I92.1Very high87.8Confident40 Ų4064.2 Ų64.221%0.20537%0.37CS..EExtended strand (participates in β ladder)trans-74129.5178.4-52.4-51.8000109.5P456 C461 Y465 L474 L490 F492P456-I458 HydrophobicContact CB-CD1 4.17Å; P456-I458 HydrophobicContact CG-CD1 4.06Å; P456-I458 PolarHBondContact O-N 3.02Å; I458-C461 HydrophobicContact CG2-CB 3.81Å; I458-Y465 HydrophobicContact CB-CE1 4.11Å; I458-Y465 HydrophobicContact CD1-CD2 4.26Å; I458-Y465 HydrophobicContact CD1-CE2 4.28Å; I458-Y465 HydrophobicContact CG1-CD1 4.18Å; I458-Y465 HydrophobicContact CG1-CD2 3.88Å; I458-Y465 HydrophobicContact CG1-CE1 3.81Å; I458-Y465 HydrophobicContact CG1-CE2 3.49Å; I458-Y465 VanDerWaalsContact CG1-CE2 3.49Å; I458-Y465 HydrophobicContact CG1-CG 4.22Å; I458-Y465 VanDerWaalsContact CG1-CZ 3.44Å; I458-Y465 HydrophobicContact CG2-CD1 4.19Å; I458-Y465 HydrophobicContact CG2-CE1 3.96Å; I458-L474 HydrophobicContact CD1-CD1 4.29Å; I458-L474 HydrophobicContact CD1-CD2 4.17Å; I458-L490 HydrophobicContact CG2-CD1 4.03Å; I458-F492 HydrophobicContact CD1-CB 3.55Å; I458-F492 HydrophobicContact CD1-CG 4.34Å
459G89.7Confident87.2Confident55 Ų5567.7 Ų67.757%0.56739%0.392SS*.EExtended strand (participates in β ladder)trans-89.7-114.3170.700000110E491G459-E491 WeakPolarHBondContact CA-O 3.07Å; G459-E491 PolarHBondContact N-O 3.25Å
460N90.7Very high86.9Confident74 Ų7479 Ų7940%0.39643%0.434SS..EExtended strand (participates in β ladder)trans-74144.3171-16739.4000111.5S489 E491N460-S489 PolarHBondContact ND2-OG 2.72Å; N460-E491 HydrophobicContact CB-CB 4.41Å; N460-E491 HydrophobicContact CB-CG 4.33Å; N460-E491 PolarHBondContact O-N 3.09Å
461C92.2Very high86.9Confident30 Ų3085.4 Ų85.420%0.20346%0.461CS..EExtended strand (participates in β ladder)trans-154110.6176.8174.80000109.9I458 Y465 L490I458-C461 HydrophobicContact CG2-CB 3.81Å; C461-Y465 HydrophobicContact CB-CD1 4.45Å; C461-L490 HydrophobicContact CB-CD1 3.71Å
462D90.6Very high87.4Confident65 Ų6584.9 Ų84.935%0.34845%0.454SS..SBendtrans-80.4117.5169.7-63.8-44.5000109.5W476 G488 S489D462-W476 HydrophobicContact CB-CZ2 4.46Å; D462-W476 PolarHBondContact O-NE1 3.25Å; D462-G488 WeakPolarHBondContact OD2-CA 3.23Å; D462-S489 PolarHBondContact N-O 3.26Å; D462-S489 PolarHBondContact OD2-N 2.9Å; D462-S489 PolarHBondContact OD2-OG 2.68Å
463G90.8Very high88.6Confident49 Ų4982.4 Ų82.451%0.50543%0.433SS..SBendtrans93.8-148.4-175.600000113.4
464E93Very high89.7Confident130 Ų13080.9 Ų80.961%0.60742%0.424SS*.EExtended strand (participates in β ladder)trans-116.4152.8-175.9-64.4-178.3179.700111.1R477E464-R477 HydrophobicContact CB-CB 4.33Å; E464-R477 PolarHBondContact N-O 2.74Å; E464-R477 PolarHBondContact O-N 3.06Å
465Y94Very high90.5Very high119 Ų11973.8 Ų73.847%0.46739%0.394SS..EExtended strand (participates in β ladder)trans-132.9150.1174.471.7-89.8000111.5I458 C461 V467 L474 D475I458-Y465 HydrophobicContact CB-CE1 4.11Å; I458-Y465 HydrophobicContact CD1-CD2 4.26Å; I458-Y465 HydrophobicContact CD1-CE2 4.28Å; I458-Y465 HydrophobicContact CG1-CD1 4.18Å; I458-Y465 HydrophobicContact CG1-CD2 3.88Å; I458-Y465 HydrophobicContact CG1-CE1 3.81Å; I458-Y465 HydrophobicContact CG1-CE2 3.49Å; I458-Y465 VanDerWaalsContact CG1-CE2 3.49Å; I458-Y465 HydrophobicContact CG1-CG 4.22Å; I458-Y465 VanDerWaalsContact CG1-CZ 3.44Å; I458-Y465 HydrophobicContact CG2-CD1 4.19Å; I458-Y465 HydrophobicContact CG2-CE1 3.96Å; C461-Y465 HydrophobicContact CB-CD1 4.45Å; Y465-V467 HydrophobicContact CD2-CG2 4.4Å; Y465-L474 HydrophobicContact CD2-CD1 3.95Å; Y465-L474 HydrophobicContact CG-CD1 4.41Å; Y465-D475 CarbonylContact C-O 3.55Å; Y465-D475 WeakPolarHBondContact CA-O 3.26Å
466E93Very high91.1Very high92 Ų9268.9 Ų68.943%0.4336%0.362SS..EExtended strand (participates in β ladder)trans-134.6120.3175.7-174.7-178.1-17800109.4D475 R477E466-D475 HydrophobicContact CB-CB 4.42Å; E466-D475 PolarHBondContact N-O 2.91Å; E466-D475 PolarHBondContact O-N 2.75Å; E466-R477 IonicContact OE2-CZ 3.39Å; E466-R477 IonicContact OE2-NE 2.76Å; E466-R477 PolarHBondContact OE2-NE 2.84Å; E466-R477 IonicContact OE2-NH2 3.63Å; E466-R477 PolarHBondContact OE2-NH2 2.85Å
467V91.9Very high91.5Very high44 Ų4472.5 Ų72.527%0.26737%0.374SS..EExtended strand (participates in β ladder)trans-85.1126.6172-176.80000107.9L449 P456 Y465 P469 L474L449-V467 HydrophobicContact CD1-CG1 4.49Å; P456-V467 HydrophobicContact CG-CG2 3.87Å; Y465-V467 HydrophobicContact CD2-CG2 4.4Å; V467-P469 VanDerWaalsContact O-CD 3.25Å; V467-P469 WeakPolarHBondContact O-CD 3.44Å; V467-L474 HydrophobicContact CG2-CD1 3.74Å
468S87.5Confident91.7Very high19 Ų1967.3 Ų67.313%0.13335%0.347CS..EExtended strand (participates in β ladder)trans-107.291.1177.8-84.10000110.9R470 K471 N472 Q473 D475S468-R470 PolarHBondContact O-N 3.15Å; S468-R470 VanDerWaalsContact O-N 3.16Å; S468-K471 PolarHBondContact O-N 2.84Å; S468-K471 VanDerWaalsContact O-N 3.08Å; S468-N472 PolarHBondContact O-N 2.84Å; S468-Q473 PolarHBondContact N-O 3.46Å; S468-Q473 PolarHBondContact O-N 3.44Å; S468-D475 PolarHBondContact OG-OD2 2.84Å
469P83.8Confident91.8Very high103 Ų10369 Ų6967%0.66936%0.36SS*.THydrogen-bonded Turntrans-62.4-27.9-176.7-22.633000113.6V467 K471 N472V467-P469 VanDerWaalsContact O-CD 3.25Å; V467-P469 WeakPolarHBondContact O-CD 3.44Å; P469-K471 VanDerWaalsContact C-N 3.33Å; P469-N472 PolarHBondContact O-OD1 3.49Å; P469-N472 VanDerWaalsContact O-OD1 3.11Å
470R85.5Confident92Very high251 Ų25169.8 Ų69.895%0.94735%0.351SS*.THydrogen-bonded Turntrans-71.3-29.2178.6-66.6-175.8-177.3169.91.7112.9S468S468-R470 PolarHBondContact O-N 3.15Å; S468-R470 VanDerWaalsContact O-N 3.16Å
471K87.9Confident92.2Very high136 Ų13666.3 Ų66.359%0.59133%0.332SS*.THydrogen-bonded Turntrans-100.8-8.1-179.4-66.4-177.8-173.3174.60112.5S468 P469 Q473S468-K471 PolarHBondContact O-N 2.84Å; S468-K471 VanDerWaalsContact O-N 3.08Å; P469-K471 VanDerWaalsContact C-N 3.33Å; K471-Q473 VanDerWaalsContact C-N 3.33Å; K471-Q473 HydrophobicContact CB-CG 3.82Å; K471-Q473 HydrophobicContact CD-CG 4.39Å; K471-Q473 PolarHBondContact O-N 2.78Å
472N90.3Very high92.3Very high72 Ų7266.3 Ų66.339%0.38533%0.33SS..THydrogen-bonded Turntrans48.354.1-168.4-64.8-26.1000111.3L449 S468 P469L449-N472 PolarHBondContact N-O 2.81Å; S468-N472 PolarHBondContact O-N 2.84Å; P469-N472 PolarHBondContact O-OD1 3.49Å; P469-N472 VanDerWaalsContact O-OD1 3.11Å
473Q93.6Very high92.4Very high31 Ų3168.4 Ų68.415%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-141.5154.8178.475.9-175.522.100111.2I447 S468 K471 D475I447-Q473 CarbonylContact O-C 3.49Å; I447-Q473 VanDerWaalsContact O-CA 3.26Å; I447-Q473 WeakPolarHBondContact O-CA 3.24Å; I447-Q473 WeakPolarHBondContact O-CB 3.42Å; S468-Q473 PolarHBondContact N-O 3.46Å; S468-Q473 PolarHBondContact O-N 3.44Å; K471-Q473 VanDerWaalsContact C-N 3.33Å; K471-Q473 HydrophobicContact CB-CG 3.82Å; K471-Q473 HydrophobicContact CD-CG 4.39Å; K471-Q473 PolarHBondContact O-N 2.78Å; Q473-D475 PolarHBondContact NE2-OD1 2.82Å; Q473-D475 PolarHBondContact NE2-OD2 3.13Å
474L94.6Very high92.5Very high0 Ų074.9 Ų74.90%036%0.358CS..EExtended strand (participates in β ladder)trans-104119.6168.817765.9000108.3I447 L449 I458 Y465 V467 L490 F492I447-L474 HydrophobicContact CB-CB 4.48Å; I447-L474 HydrophobicContact CD1-CD2 4.43Å; I447-L474 PolarHBondContact N-O 3.07Å; I447-L474 PolarHBondContact O-N 3.36Å; L449-L474 HydrophobicContact CD1-CB 4.24Å; L449-L474 HydrophobicContact CD2-CB 4.23Å; L449-L474 HydrophobicContact CG-CB 4.37Å; I458-L474 HydrophobicContact CD1-CD1 4.29Å; I458-L474 HydrophobicContact CD1-CD2 4.17Å; Y465-L474 HydrophobicContact CD2-CD1 3.95Å; Y465-L474 HydrophobicContact CG-CD1 4.41Å; V467-L474 HydrophobicContact CG2-CD1 3.74Å; L474-L490 HydrophobicContact CD2-CD2 3.85Å; L474-L490 HydrophobicContact CG-CD2 4.49Å; L474-F492 HydrophobicContact CD2-CD1 3.62Å; L474-F492 HydrophobicContact CD2-CD2 4.45Å; L474-F492 HydrophobicContact CD2-CE1 3.66Å; L474-F492 HydrophobicContact CD2-CE2 4.48Å; L474-F492 HydrophobicContact CD2-CG 4.03Å; L474-F492 HydrophobicContact CD2-CZ 4.1Å
475D96Very high92.4Very high6 Ų671.5 Ų71.53%0.03235%0.345CS..EExtended strand (participates in β ladder)trans-98.7108.7177.2-66.7-37.1000108.9V444 S446 Y465 E466 S468 Q473V444-D475 HydrophobicContact CG1-CB 4.37Å; S446-D475 VanDerWaalsContact CB-OD1 3.27Å; S446-D475 WeakPolarHBondContact CB-OD1 3.32Å; S446-D475 PolarHBondContact OG-OD1 3.38Å; Y465-D475 CarbonylContact C-O 3.55Å; Y465-D475 WeakPolarHBondContact CA-O 3.26Å; E466-D475 HydrophobicContact CB-CB 4.42Å; E466-D475 PolarHBondContact N-O 2.91Å; E466-D475 PolarHBondContact O-N 2.75Å; S468-D475 PolarHBondContact OG-OD2 2.84Å; Q473-D475 PolarHBondContact NE2-OD1 2.82Å; Q473-D475 PolarHBondContact NE2-OD2 3.13Å
476W96.8Very high92.4Very high0 Ų067.8 Ų67.80%034%0.336CS..EExtended strand (participates in β ladder)trans-92.6123175.6-17721.6000109.8V429 Y431 V444 M445 D462 I478 S489 L490V429-W476 HydrophobicContact CB-CE3 4.37Å; V429-W476 HydrophobicContact CB-CZ3 4.03Å; V429-W476 HydrophobicContact CG1-CE3 4.21Å; V429-W476 HydrophobicContact CG1-CZ3 3.89Å; V429-W476 WeakPolarHBondContact O-CZ3 3.42Å; Y431-W476 AromaticContact CD1-CH2 3.56Å; Y431-W476 HydrophobicContact CD1-CH2 3.56Å; Y431-W476 HydrophobicContact CD1-CZ2 4.04Å; Y431-W476 HydrophobicContact CD1-CZ3 4.16Å; Y431-W476 AromaticContact CE1-CH2 3.94Å; Y431-W476 HydrophobicContact CE1-CH2 3.94Å; Y431-W476 AromaticContact CE1-CZ2 3.96Å; Y431-W476 HydrophobicContact CE1-CZ2 3.96Å; V444-W476 CarbonylContact C-O 3.59Å; V444-W476 VanDerWaalsContact CA-O 3.28Å; V444-W476 WeakPolarHBondContact CA-O 3.24Å; M445-W476 HydrophobicContact CB-CB 4.31Å; M445-W476 HydrophobicContact CE-CD2 3.66Å; M445-W476 HydrophobicContact CE-CE3 3.14Å; M445-W476 HydrophobicContact CE-CG 4.49Å; M445-W476 HydrophobicContact CE-CH2 3.83Å; M445-W476 HydrophobicContact CE-CZ2 4.28Å; M445-W476 HydrophobicContact CE-CZ3 3.24Å; M445-W476 PolarHBondContact N-O 3.4Å; M445-W476 PolarHBondContact O-N 3.29Å; M445-W476 HydrophobicContact SD-CE3 3.96Å; M445-W476 HydrophobicContact SD-CZ3 4.12Å; D462-W476 HydrophobicContact CB-CZ2 4.46Å; D462-W476 PolarHBondContact O-NE1 3.25Å; W476-I478 HydrophobicContact CH2-CD1 4.48Å; W476-I478 HydrophobicContact CZ2-CD1 3.78Å; W476-S489 WeakPolarHBondContact CZ2-O 3.4Å; W476-L490 HydrophobicContact CB-CD2 3.7Å; W476-L490 HydrophobicContact CD2-CB 3.6Å; W476-L490 HydrophobicContact CD2-CD2 3.71Å; W476-L490 HydrophobicContact CD2-CG 4.28Å; W476-L490 HydrophobicContact CE3-CB 3.6Å; W476-L490 HydrophobicContact CE3-CD2 3.89Å; W476-L490 HydrophobicContact CE3-CG 4.42Å; W476-L490 HydrophobicContact CG-CB 4.29Å; W476-L490 HydrophobicContact CG-CD2 3.62Å; W476-L490 HydrophobicContact CH2-CB 3.82Å; W476-L490 HydrophobicContact CZ2-CB 3.8Å; W476-L490 HydrophobicContact CZ3-CB 3.71Å
477R96.6Very high92.5Very high88 Ų8867 Ų6733%0.33234%0.341SS..EExtended strand (participates in β ladder)trans-119.7127.6-170-57.9-178.4179.4-812.3110.9L443 V444 E464 E466L443-R477 CarbonylContact O-C 3.51Å; L443-R477 WeakPolarHBondContact O-CA 3.47Å; V444-R477 HydrophobicContact CG1-CG 4.44Å; V444-R477 HydrophobicContact CG2-CG 4.26Å; E464-R477 HydrophobicContact CB-CB 4.33Å; E464-R477 PolarHBondContact N-O 2.74Å; E464-R477 PolarHBondContact O-N 3.06Å; E466-R477 IonicContact OE2-CZ 3.39Å; E466-R477 IonicContact OE2-NE 2.76Å; E466-R477 PolarHBondContact OE2-NE 2.84Å; E466-R477 IonicContact OE2-NH2 3.63Å; E466-R477 PolarHBondContact OE2-NH2 2.85Å
478I95.6Very high92.6Very high10 Ų1065.3 Ų65.35%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-128.6114177.6-50.9-175.7000107.7Y431 L443 M445 W476 I480 V481Y431-I478 HydrophobicContact CD1-CD1 3.65Å; Y431-I478 HydrophobicContact CE1-CD1 2.95Å; Y431-I478 HydrophobicContact CE1-CG1 4.45Å; Y431-I478 VanDerWaalsContact CZ-CD1 3.47Å; L443-I478 HydrophobicContact CB-CB 4.3Å; L443-I478 HydrophobicContact CD2-CD1 4.35Å; L443-I478 PolarHBondContact N-O 3.02Å; L443-I478 PolarHBondContact O-N 2.77Å; M445-I478 HydrophobicContact CE-CD1 4.09Å; W476-I478 HydrophobicContact CH2-CD1 4.48Å; W476-I478 HydrophobicContact CZ2-CD1 3.78Å; I478-I480 VanDerWaalsContact C-N 3.35Å; I478-I480 PolarHBondContact O-N 2.99Å; I478-V481 HydrophobicContact CB-CG2 4.21Å; I478-V481 HydrophobicContact CG2-CG2 3.64Å
479P93.5Very high93.1Very high76 Ų7665.4 Ų65.449%0.49433%0.332SS..EExtended strand (participates in β ladder)trans-59.9-41.3-173.9-2835.5000114E441 N442E441-P479 WeakPolarHBondContact CA-O 3.41Å; N442-P479 PolarHBondContact N-O 2.82Å
480I94.3Very high93.7Very high71 Ų7160.5 Ų60.536%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-142.3135.3-177.3-61177.5000108.5E439 L440 I478 N482 N485E439-I480 HydrophobicContact CG-CG2 4.11Å; L440-I480 CarbonylContact O-C 3.57Å; L440-I480 VanDerWaalsContact O-CA 3.3Å; L440-I480 WeakPolarHBondContact O-CA 3.21Å; I478-I480 VanDerWaalsContact C-N 3.35Å; I478-I480 PolarHBondContact O-N 2.99Å; I480-N482 HydrophobicContact CG2-CB 4.41Å; I480-N485 PolarHBondContact O-ND2 3.01Å
481V95.3Very high94.2Very high0 Ų052.1 Ų52.10%027%0.272CS..EExtended strand (participates in β ladder)trans-127.4117.5168.4176.40000108.8Y431 L433 E439 L440 L443 I478 N485Y431-V481 HydrophobicContact CD2-CG1 4.23Å; Y431-V481 HydrophobicContact CE2-CB 4.35Å; Y431-V481 HydrophobicContact CE2-CG1 3.62Å; Y431-V481 HydrophobicContact CE2-CG2 3.74Å; L433-V481 HydrophobicContact CB-CG1 4.02Å; L433-V481 HydrophobicContact CD1-CG1 4.29Å; L433-V481 HydrophobicContact CD2-CG1 4.46Å; L433-V481 HydrophobicContact CG-CG1 4.5Å; E439-V481 WeakPolarHBondContact CA-O 3.35Å; L440-V481 HydrophobicContact CB-CB 4.25Å; L440-V481 PolarHBondContact N-O 3.08Å; L440-V481 PolarHBondContact O-N 3.05Å; L443-V481 HydrophobicContact CB-CG2 4.39Å; L443-V481 HydrophobicContact CD2-CG2 3.75Å; I478-V481 HydrophobicContact CB-CG2 4.21Å; I478-V481 HydrophobicContact CG2-CG2 3.64Å; V481-N485 WeakPolarHBondContact CA-OD1 3.39Å
482N93.8Very high94.5Very high30 Ų3045.7 Ų45.716%0.1624%0.244CC..SBendtrans-144.7-171.3-17768.226.8000110.1E439 I480 E484 N485 S486E439-N482 HydrophobicContact CB-CB 4.31Å; E439-N482 HydrophobicContact CG-CB 4.12Å; I480-N482 HydrophobicContact CG2-CB 4.41Å; N482-E484 PolarHBondContact O-N 2.96Å; N482-E484 WeakPolarHBondContact OD1-CA 3.18Å; N482-E484 WeakPolarHBondContact OD1-CB 3.48Å; N482-E484 PolarHBondContact OD1-N 2.91Å; N482-N485 PolarHBondContact N-OD1 3.06Å; N482-N485 CarbonylContact O-C 3.54Å; N482-N485 PolarHBondContact O-N 3.07Å; N482-N485 PolarHBondContact O-OD1 2.79Å; N482-N485 PolarHBondContact OD1-N 2.7Å; N482-N485 PolarHBondContact OD1-OD1 2.82Å; N482-S486 WeakPolarHBondContact O-CA 2.76Å; N482-S486 PolarHBondContact O-N 2.83Å
483N93Very high94.7Very high109 Ų10944.5 Ų44.558%0.58324%0.239SC*.THydrogen-bonded Turntrans-65.6-19.7-178.6-170.365.2000114.8P436P436-N483 HydrophobicContact CB-CB 4.43Å; P436-N483 WeakPolarHBondContact CB-OD1 3.31Å
484E92.1Very high94.6Very high185 Ų18543 Ų4386%0.86423%0.233SC*.THydrogen-bonded Turntrans-82.9-27.4176-59.2-175.3167.500112.3N482N482-E484 PolarHBondContact O-N 2.96Å; N482-E484 WeakPolarHBondContact OD1-CA 3.18Å; N482-E484 WeakPolarHBondContact OD1-CB 3.48Å; N482-E484 PolarHBondContact OD1-N 2.91Å
485N91.9Very high94.3Very high60 Ų6049.9 Ų49.932%0.32126%0.262SS..SBendtrans-130.353.1177.465.3-8.7000111.4I480 V481 N482 S487I480-N485 PolarHBondContact O-ND2 3.01Å; V481-N485 WeakPolarHBondContact CA-OD1 3.39Å; N482-N485 PolarHBondContact N-OD1 3.06Å; N482-N485 CarbonylContact O-C 3.54Å; N482-N485 PolarHBondContact O-N 3.07Å; N482-N485 PolarHBondContact O-OD1 2.79Å; N482-N485 PolarHBondContact OD1-N 2.7Å; N482-N485 PolarHBondContact OD1-OD1 2.82Å; N485-S487 PolarHBondContact O-N 2.87Å
486S94.4Very high93.8Very high41 Ų4150.9 Ų50.929%0.28727%0.269SS..  trans-68.1-17.5-171.659.20000113.9E432 L433 N482E432-S486 CarbonylContact C-O 3.56Å; E432-S486 WeakPolarHBondContact CA-O 3.36Å; L433-S486 WeakPolarHBondContact CB-O 3.44Å; L433-S486 PolarHBondContact N-O 3.01Å; N482-S486 WeakPolarHBondContact O-CA 2.76Å; N482-S486 PolarHBondContact O-N 2.83Å
487S94.8Very high93Very high76 Ų7657.2 Ų57.253%0.53130%0.298SS..EExtended strand (participates in β ladder)trans-137.2160.9177.461.80000112.1Y431 N485Y431-S487 VanDerWaalsContact CZ-C 3.44Å; Y431-S487 VanDerWaalsContact O-CA 3.23Å; Y431-S487 WeakPolarHBondContact O-CA 3.49Å; Y431-S487 WeakPolarHBondContact O-CB 3.41Å; Y431-S487 PolarHBondContact OH-O 3.39Å; N485-S487 PolarHBondContact O-N 2.87Å
488G94.3Very high91.9Very high7 Ų765.3 Ų65.37%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-170168.4174.100000111.5E430 Y431 D462E430-G488 WeakPolarHBondContact CA-O 3.17Å; Y431-G488 WeakPolarHBondContact CD1-O 3.45Å; Y431-G488 VanDerWaalsContact CE1-N 3.27Å; Y431-G488 VanDerWaalsContact CZ-N 3.29Å; Y431-G488 PolarHBondContact N-O 2.8Å; Y431-G488 PolarHBondContact O-N 2.84Å; D462-G488 WeakPolarHBondContact OD2-CA 3.23Å
489S96.1Very high91Very high21 Ų2168.1 Ų68.115%0.14736%0.36CS..EExtended strand (participates in β ladder)trans-138.2148.1-167.963.10000112.7V429 N460 D462 W476V429-S489 CarbonylContact O-C 3.55Å; V429-S489 WeakPolarHBondContact O-CA 3.33Å; N460-S489 PolarHBondContact ND2-OG 2.72Å; D462-S489 PolarHBondContact N-O 3.26Å; D462-S489 PolarHBondContact OD2-N 2.9Å; D462-S489 PolarHBondContact OD2-OG 2.68Å; W476-S489 WeakPolarHBondContact CZ2-O 3.4Å
490L96.3Very high90.5Very high0 Ų065.3 Ų65.30%034%0.344CS..EExtended strand (participates in β ladder)trans-135.9122.3171.9169.665.9000109.1V429 I447 I458 C461 L474 W476 F492V429-L490 PolarHBondContact N-O 3.28Å; V429-L490 PolarHBondContact O-N 3.23Å; I447-L490 HydrophobicContact CD1-CD2 4Å; I458-L490 HydrophobicContact CG2-CD1 4.03Å; C461-L490 HydrophobicContact CB-CD1 3.71Å; L474-L490 HydrophobicContact CD2-CD2 3.85Å; L474-L490 HydrophobicContact CG-CD2 4.49Å; W476-L490 HydrophobicContact CB-CD2 3.7Å; W476-L490 HydrophobicContact CD2-CB 3.6Å; W476-L490 HydrophobicContact CD2-CD2 3.71Å; W476-L490 HydrophobicContact CD2-CG 4.28Å; W476-L490 HydrophobicContact CE3-CB 3.6Å; W476-L490 HydrophobicContact CE3-CD2 3.89Å; W476-L490 HydrophobicContact CE3-CG 4.42Å; W476-L490 HydrophobicContact CG-CB 4.29Å; W476-L490 HydrophobicContact CG-CD2 3.62Å; W476-L490 HydrophobicContact CH2-CB 3.82Å; W476-L490 HydrophobicContact CZ2-CB 3.8Å; W476-L490 HydrophobicContact CZ3-CB 3.71Å; L490-F492 HydrophobicContact CD2-CD1 4.43Å; L490-F492 HydrophobicContact CG-CD1 4.23Å
491E96.4Very high90.2Very high75 Ų7567.3 Ų67.335%0.3535%0.351SS..EExtended strand (participates in β ladder)trans-116.5132.6177.3-62.8-179.7162.100109.6V427 N428 G459 N460V427-E491 WeakPolarHBondContact O-CA 3.35Å; N428-E491 HydrophobicContact CB-CG 4.32Å; N428-E491 PolarHBondContact ND2-OE1 2.82Å; G459-E491 WeakPolarHBondContact CA-O 3.07Å; G459-E491 PolarHBondContact N-O 3.25Å; N460-E491 HydrophobicContact CB-CB 4.41Å; N460-E491 HydrophobicContact CB-CG 4.33Å; N460-E491 PolarHBondContact O-N 3.09Å
492F95Very high89.9Confident2 Ų268.9 Ų68.91%0.00936%0.364CS..EExtended strand (participates in β ladder)trans-148.6151.8173.666-87.4000113.1V427 V429 I447 L449 P456 L457 I458 L474 L490 F505V427-F492 HydrophobicContact CB-CD1 4.16Å; V427-F492 HydrophobicContact CB-CD2 4.29Å; V427-F492 HydrophobicContact CB-CE1 3.67Å; V427-F492 HydrophobicContact CB-CE2 3.82Å; V427-F492 HydrophobicContact CB-CG 4.45Å; V427-F492 HydrophobicContact CB-CZ 3.49Å; V427-F492 VanDerWaalsContact CB-CZ 3.49Å; V427-F492 HydrophobicContact CG1-CE1 3.75Å; V427-F492 HydrophobicContact CG1-CE2 4.48Å; V427-F492 HydrophobicContact CG1-CZ 3.68Å; V427-F492 HydrophobicContact CG2-CD2 4.4Å; V427-F492 HydrophobicContact CG2-CE1 4.43Å; V427-F492 HydrophobicContact CG2-CE2 3.72Å; V427-F492 HydrophobicContact CG2-CZ 3.75Å; V427-F492 PolarHBondContact N-O 2.8Å; V427-F492 PolarHBondContact O-N 2.9Å; V429-F492 HydrophobicContact CG2-CE1 4.36Å; I447-F492 HydrophobicContact CD1-CE1 4.24Å; I447-F492 HydrophobicContact CG2-CZ 4.24Å; L449-F492 HydrophobicContact CD2-CE2 3.9Å; L449-F492 HydrophobicContact CD2-CZ 4.17Å; P456-F492 HydrophobicContact CB-CB 4.24Å; P456-F492 HydrophobicContact CB-CD2 3.71Å; P456-F492 HydrophobicContact CB-CE2 4.49Å; P456-F492 HydrophobicContact CB-CG 4.29Å; L457-F492 CarbonylContact O-C 3.57Å; L457-F492 WeakPolarHBondContact O-CA 3.38Å; I458-F492 HydrophobicContact CD1-CB 3.55Å; I458-F492 HydrophobicContact CD1-CG 4.34Å; L474-F492 HydrophobicContact CD2-CD1 3.62Å; L474-F492 HydrophobicContact CD2-CD2 4.45Å; L474-F492 HydrophobicContact CD2-CE1 3.66Å; L474-F492 HydrophobicContact CD2-CE2 4.48Å; L474-F492 HydrophobicContact CD2-CG 4.03Å; L474-F492 HydrophobicContact CD2-CZ 4.1Å; L490-F492 HydrophobicContact CD2-CD1 4.43Å; L490-F492 HydrophobicContact CG-CD1 4.23Å; F492-F505 HydrophobicContact CE2-CE1 4.02Å; F492-F505 HydrophobicContact CZ-CD1 4.35Å; F492-F505 HydrophobicContact CZ-CE1 4.24Å
493T93.6Very high89.8Confident46 Ų4673 Ų7328%0.28238%0.383SS..EExtended strand (participates in β ladder)trans-114.3134.6176-47.30000110.5I421 F425 P456 L457I421-T493 HydrophobicContact CD1-CG2 3.55Å; F425-T493 CarbonylContact O-C 3.56Å; F425-T493 WeakPolarHBondContact O-CA 3.36Å; P456-T493 WeakPolarHBondContact CA-O 3.39Å; L457-T493 PolarHBondContact N-O 2.82Å; L457-T493 PolarHBondContact O-N 3.04Å
494L91.1Very high89.7Confident1 Ų171 Ų711%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-131.4131.8-175.9168.7117.8000109.9G424 F425 L449 P450 T453 P456 T496 F505G424-L494 CarbonylContact C-O 3.39Å; G424-L494 WeakPolarHBondContact CA-O 3.44Å; F425-L494 PolarHBondContact N-O 2.75Å; F425-L494 PolarHBondContact O-N 2.96Å; L449-L494 HydrophobicContact CD2-CD1 4.3Å; P450-L494 HydrophobicContact CG-CD2 3.86Å; T453-L494 VanDerWaalsContact CB-CD1 3.48Å; T453-L494 HydrophobicContact CG2-CD1 3.62Å; T453-L494 HydrophobicContact CG2-CD2 3.69Å; T453-L494 HydrophobicContact CG2-CG 3.77Å; P456-L494 HydrophobicContact CB-CD1 4.47Å; L494-T496 HydrophobicContact CD2-CG2 3.25Å; L494-T496 HydrophobicContact CG-CG2 4.19Å; L494-F505 HydrophobicContact CD2-CE1 4.09Å; L494-F505 HydrophobicContact CD2-CZ 3.73Å
495K88.8Confident89.7Confident143 Ų14362.1 Ų62.162%0.62233%0.328SS*.EExtended strand (participates in β ladder)trans-88.2127.8173-67.3-176.6178.8-179.40109.9G423G423-K495 WeakPolarHBondContact O-CA 3.27Å
496T85.3Confident89.8Confident28 Ų2860.5 Ų60.517%0.17232%0.318CS..  trans-119.9163-177.952.70000111.7G423 G424 F425 P450 T453 L494 A500G423-T496 PolarHBondContact O-N 3.33Å; G424-T496 WeakPolarHBondContact CA-OG1 3.45Å; F425-T496 HydrophobicContact CD2-CG2 3.89Å; F425-T496 HydrophobicContact CE2-CG2 4.26Å; P450-T496 HydrophobicContact CB-CG2 4.13Å; P450-T496 HydrophobicContact CG-CG2 4.06Å; T453-T496 HydrophobicContact CG2-CG2 3.93Å; L494-T496 HydrophobicContact CD2-CG2 3.25Å; L494-T496 HydrophobicContact CG-CG2 4.19Å; T496-A500 HydrophobicContact CG2-CB 3.82Å
497E80.5Confident89.8Confident132 Ų13260.6 Ų60.662%0.61732%0.318SS*.  trans-72161.1166.3-64-178.8-157.200111S452 G499 A500S452-E497 WeakPolarHBondContact CB-OE1 3.49Å; S452-E497 PolarHBondContact OG-OE1 3.33Å; E497-G499 PolarHBondContact O-N 3.36Å; E497-A500 PolarHBondContact O-N 3.22Å
498R74.1Confident89.8Confident259 Ų25957 Ų5798%0.97729%0.293SS*.THydrogen-bonded Turntrans-61.2124.7175.7-89.8-170-91-155.1-5.7110
499G77.4Confident89.9Confident69 Ų6961.4 Ų61.471%0.71131%0.31SS*.THydrogen-bonded Turntrans103.43.5176.800000115.3E497E497-G499 PolarHBondContact O-N 3.36Å
500A82.9Confident90Very high17 Ų1760.7 Ų60.714%0.1430%0.304CS..  trans-62.1141167.700000110.7F425 T496 E497F425-A500 HydrophobicContact CE2-CB 3.84Å; F425-A500 WeakPolarHBondContact CZ-O 3.39Å; T496-A500 HydrophobicContact CG2-CB 3.82Å; E497-A500 PolarHBondContact O-N 3.22Å
501Q87.7Confident90Very high112 Ų11263.8 Ų63.852%0.52332%0.321SS..  trans-118.1149-176.3-66.3-179.7-48.800110E503 Q504Q501-E503 PolarHBondContact O-N 2.97Å; Q501-E503 VanDerWaalsContact O-N 3.1Å; Q501-Q504 WeakPolarHBondContact O-CB 3.48Å; Q501-Q504 WeakPolarHBondContact O-CG 3.44Å; Q501-Q504 PolarHBondContact O-N 2.81Å
502A89.5Confident90Very high33 Ų3360.3 Ų60.327%0.27331%0.305SS..G310 helixtrans-55.3-27.7177.400000113.6P418 F425 Q504 F505P418-A502 HydrophobicContact CB-CB 4.32Å; P418-A502 HydrophobicContact CG-CB 3.85Å; F425-A502 HydrophobicContact CE1-CB 4.26Å; A502-Q504 PolarHBondContact O-N 2.78Å; A502-Q504 VanDerWaalsContact O-N 3.14Å; A502-F505 WeakPolarHBondContact O-CD2 3.31Å; A502-F505 PolarHBondContact O-N 2.78Å
503E90.3Very high90Very high117 Ų11761 Ų6155%0.54731%0.312SS..G310 helixtrans-60.8-20.8177.1-64.9173.8-171.800113.4Q501 F505 F506Q501-E503 PolarHBondContact O-N 2.97Å; Q501-E503 VanDerWaalsContact O-N 3.1Å; E503-F505 PolarHBondContact O-N 2.79Å; E503-F506 PolarHBondContact O-N 3.02Å
504Q90.8Very high90.1Very high66 Ų6658.9 Ų58.931%0.30830%0.299SS..G310 helixtrans-73.8-9.2179.9-64176.2-9.200113.5P450 Q501 A502 F506P450-Q504 HydrophobicContact CB-CB 4.41Å; P450-Q504 HydrophobicContact CG-CB 3.97Å; Q501-Q504 WeakPolarHBondContact O-CB 3.48Å; Q501-Q504 WeakPolarHBondContact O-CG 3.44Å; Q501-Q504 PolarHBondContact O-N 2.81Å; A502-Q504 PolarHBondContact O-N 2.78Å; A502-Q504 VanDerWaalsContact O-N 3.14Å; Q504-F506 VanDerWaalsContact C-N 3.28Å
505F92.8Very high90.2Very high0 Ų062.8 Ų62.80%032%0.321CS..G310 helixtrans-86.83171.6-63.4-78.3000113.4P418 F425 V427 I447 P448 L449 P450 F492 L494 A502 E503 L508P418-F505 HydrophobicContact CB-CD2 3.63Å; P418-F505 HydrophobicContact CB-CE2 3.99Å; P418-F505 HydrophobicContact CB-CG 4.31Å; P418-F505 HydrophobicContact CG-CD2 4.25Å; F425-F505 HydrophobicContact CB-CE2 3.88Å; F425-F505 HydrophobicContact CB-CZ 3.75Å; F425-F505 AromaticContact CD1-CE2 3.91Å; F425-F505 HydrophobicContact CD1-CE2 3.91Å; F425-F505 AromaticContact CD2-CE2 3.87Å; F425-F505 HydrophobicContact CD2-CE2 3.87Å; F425-F505 HydrophobicContact CD2-CZ 4.1Å; F425-F505 HydrophobicContact CE1-CE2 4.45Å; F425-F505 HydrophobicContact CE2-CE2 4.42Å; F425-F505 AromaticContact CG-CE2 3.6Å; F425-F505 HydrophobicContact CG-CE2 3.6Å; F425-F505 AromaticContact CG-CZ 3.91Å; F425-F505 HydrophobicContact CG-CZ 3.91Å; V427-F505 HydrophobicContact CG2-CD1 4.16Å; V427-F505 HydrophobicContact CG2-CE1 3.73Å; V427-F505 HydrophobicContact CG2-CE2 4.14Å; V427-F505 HydrophobicContact CG2-CZ 3.72Å; I447-F505 HydrophobicContact CG2-CD1 4.32Å; P448-F505 WeakPolarHBondContact CD-O 3.38Å; P448-F505 WeakPolarHBondContact O-CA 3.18Å; P448-F505 WeakPolarHBondContact O-CD1 3.5Å; L449-F505 HydrophobicContact CD2-CD1 4.4Å; L449-F505 HydrophobicContact CD2-CE1 4.16Å; P450-F505 HydrophobicContact CG-CE1 4.26Å; P450-F505 HydrophobicContact CG-CE2 4.25Å; P450-F505 HydrophobicContact CG-CZ 3.92Å; F492-F505 HydrophobicContact CE2-CE1 4.02Å; F492-F505 HydrophobicContact CZ-CD1 4.35Å; F492-F505 HydrophobicContact CZ-CE1 4.24Å; L494-F505 HydrophobicContact CD2-CE1 4.09Å; L494-F505 HydrophobicContact CD2-CZ 3.73Å; A502-F505 WeakPolarHBondContact O-CD2 3.31Å; A502-F505 PolarHBondContact O-N 2.78Å; E503-F505 PolarHBondContact O-N 2.79Å; F505-L508 VanDerWaalsContact O-CD1 3.29Å; F505-L508 WeakPolarHBondContact O-CD1 3.38Å
506F93.7Very high90.3Very high25 Ų2560 Ų6011%0.1131%0.308CS..  trans-123154.6-177.6-63.5-93.5000110.6R316 C416 P418 E503 Q504 L508 I550R316-F506 HydrophobicContact CB-CD1 4.22Å; R316-F506 HydrophobicContact CB-CE1 3.62Å; R316-F506 HydrophobicContact CB-CZ 3.84Å; C416-F506 HydrophobicContact CB-CE1 4.38Å; C416-F506 HydrophobicContact CB-CZ 4.15Å; P418-F506 HydrophobicContact CG-CE2 4.15Å; E503-F506 PolarHBondContact O-N 3.02Å; Q504-F506 VanDerWaalsContact C-N 3.28Å; F506-L508 HydrophobicContact CD1-CD1 3.3Å; F506-L508 HydrophobicContact CE1-CD1 3.32Å; F506-L508 HydrophobicContact CG-CD1 3.99Å; F506-L508 HydrophobicContact CZ-CD1 4.02Å; F506-I550 HydrophobicContact CE1-CG2 4.46Å
507P94.6Very high90.6Very high43 Ų4359.8 Ų59.828%0.27931%0.308SS..SBendcis-77.2137.7-0.231.6-35000112.8P448 I550P448-P507 VanDerWaalsContact CD-O 3.24Å; P448-P507 WeakPolarHBondContact CD-O 3.49Å; P448-P507 WeakPolarHBondContact CG-O 3.25Å; P507-I550 CarbonylContact C-O 3.59Å; P507-I550 WeakPolarHBondContact CA-O 3.46Å
508L95.6Very high91.2Very high1 Ų153.8 Ų53.81%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-71.7137.9166.3-78.780.3000108.6V414 C416 V429 I447 F505 F506 L510 E549 I550V414-L508 HydrophobicContact CG1-CD2 4.1Å; C416-L508 HydrophobicContact CB-CD1 3.98Å; C416-L508 HydrophobicContact CB-CD2 3.7Å; V429-L508 HydrophobicContact CG1-CD2 4.2Å; I447-L508 HydrophobicContact CG1-CD2 4.16Å; I447-L508 HydrophobicContact CG1-CG 4.28Å; F505-L508 VanDerWaalsContact O-CD1 3.29Å; F505-L508 WeakPolarHBondContact O-CD1 3.38Å; F506-L508 HydrophobicContact CD1-CD1 3.3Å; F506-L508 HydrophobicContact CE1-CD1 3.32Å; F506-L508 HydrophobicContact CG-CD1 3.99Å; F506-L508 HydrophobicContact CZ-CD1 4.02Å; L508-L510 HydrophobicContact CB-CD1 4.49Å; L508-E549 VanDerWaalsContact O-CA 3.31Å; L508-E549 WeakPolarHBondContact O-CA 3.48Å; L508-I550 HydrophobicContact CB-CB 4.3Å; L508-I550 PolarHBondContact N-O 2.96Å; L508-I550 PolarHBondContact O-N 2.75Å
509K96.6Very high92Very high99 Ų9941.4 Ų41.443%0.4323%0.233SC..EExtended strand (participates in β ladder)trans-119.2126.7179.6-57.6-174.3175.5-178.80110.7M445 S446 Y548 E549M445-K509 CarbonylContact C-O 3.59Å; M445-K509 WeakPolarHBondContact CA-O 3.34Å; S446-K509 PolarHBondContact N-O 3.16Å; S446-K509 PolarHBondContact O-N 2.82Å; K509-Y548 WeakPolarHBondContact CA-O 3.15Å; K509-E549 WeakPolarHBondContact CE-OE1 3.37Å; K509-E549 HydrophobicContact CG-CG 4.29Å; K509-E549 IonicContact NZ-OE1 3.62Å
510L96.6Very high92.5Very high6 Ų638.7 Ų38.73%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-108133.1178.7-74.366.2000110.2I412 V414 V444 M445 L508 T545 Y548 I550I412-L510 HydrophobicContact CG2-CD2 4.14Å; V414-L510 HydrophobicContact CB-CD2 4.37Å; V414-L510 HydrophobicContact CG2-CD1 4.32Å; V414-L510 HydrophobicContact CG2-CD2 3.42Å; V414-L510 VanDerWaalsContact CG2-CD2 3.42Å; V414-L510 HydrophobicContact CG2-CG 4.2Å; V444-L510 CarbonylContact O-C 3.6Å; V444-L510 WeakPolarHBondContact O-CA 3.24Å; M445-L510 HydrophobicContact CG-CG 4.09Å; L508-L510 HydrophobicContact CB-CD1 4.49Å; L510-T545 PolarHBondContact O-OG1 3.11Å; L510-Y548 HydrophobicContact CB-CD1 4.06Å; L510-Y548 HydrophobicContact CB-CD2 4.24Å; L510-Y548 HydrophobicContact CB-CG 3.8Å; L510-Y548 HydrophobicContact CD1-CD1 4.13Å; L510-Y548 HydrophobicContact CD1-CE1 4.4Å; L510-Y548 HydrophobicContact CD2-CD1 4.02Å; L510-Y548 HydrophobicContact CD2-CD2 4.22Å; L510-Y548 HydrophobicContact CD2-CE1 3.89Å; L510-Y548 HydrophobicContact CD2-CE2 4.06Å; L510-Y548 HydrophobicContact CD2-CG 4.22Å; L510-Y548 HydrophobicContact CG-CD1 4.28Å; L510-Y548 HydrophobicContact CG-CG 4.45Å; L510-Y548 PolarHBondContact N-O 2.97Å; L510-I550 HydrophobicContact CD1-CD1 4.09Å
511N96.8Very high92.9Very high66 Ų6638.1 Ų38.135%0.35320%0.2SC..EExtended strand (participates in β ladder)trans-130.4127.5171.8-161.3-41.1000110.4L291 L443 V444 T545L291-N511 WeakPolarHBondContact CD1-OD1 3.48Å; L443-N511 CarbonylContact C-O 3.6Å; L443-N511 WeakPolarHBondContact CA-O 3.4Å; V444-N511 PolarHBondContact N-O 3.13Å; V444-N511 PolarHBondContact O-N 2.78Å; N511-T545 WeakPolarHBondContact CA-OG1 3.5Å
512F96.2Very high93.1Very high1 Ų137.8 Ų37.80%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-155.1161.8174.859.2-100.7000110L310 P411 I412 L440 L443 F543 H544 T545 Y548L310-F512 HydrophobicContact CD2-CZ 3.88Å; P411-F512 HydrophobicContact CG-CZ 3.86Å; I412-F512 HydrophobicContact CG2-CD1 4.4Å; I412-F512 HydrophobicContact CG2-CE1 3.69Å; I412-F512 HydrophobicContact CG2-CZ 4.25Å; L440-F512 HydrophobicContact CB-CB 4.4Å; L440-F512 HydrophobicContact CB-CD2 4.41Å; L440-F512 HydrophobicContact CD1-CD1 4.43Å; L440-F512 HydrophobicContact CD1-CD2 4.23Å; L440-F512 HydrophobicContact CD1-CE2 4.36Å; L440-F512 HydrophobicContact CD1-CG 4.27Å; L440-F512 HydrophobicContact CD2-CD2 3.77Å; L440-F512 HydrophobicContact CD2-CE2 3.83Å; L440-F512 HydrophobicContact CG-CD2 4.35Å; L443-F512 HydrophobicContact CB-CB 4.31Å; L443-F512 HydrophobicContact CD1-CB 3.93Å; L443-F512 HydrophobicContact CD1-CD1 3.75Å; L443-F512 HydrophobicContact CD1-CG 4.27Å; F512-F543 HydrophobicContact CE2-CD1 4.35Å; F512-F543 AromaticContact CE2-CE1 3.69Å; F512-F543 HydrophobicContact CE2-CE1 3.69Å; F512-F543 HydrophobicContact CE2-CZ 4.11Å; F512-F543 HydrophobicContact CZ-CE1 4.44Å; F512-H544 WeakPolarHBondContact O-CA 3.16Å; F512-T545 HydrophobicContact CD1-CG2 3.57Å; F512-T545 HydrophobicContact CD2-CG2 4.04Å; F512-T545 HydrophobicContact CE1-CG2 3.26Å; F512-T545 HydrophobicContact CE2-CG2 3.74Å; F512-T545 HydrophobicContact CG-CG2 3.96Å; F512-T545 HydrophobicContact CZ-CG2 3.35Å; F512-T545 PolarHBondContact O-N 2.88Å; F512-T545 VanDerWaalsContact O-N 3.17Å; F512-Y548 AromaticContact CE1-CD2 3.99Å; F512-Y548 HydrophobicContact CE1-CD2 3.99Å; F512-Y548 HydrophobicContact CE1-CE2 4.3Å; F512-Y548 HydrophobicContact CZ-CD2 4.5Å
513G95.4Very high93.3Very high16 Ų1637.6 Ų37.617%0.16519%0.192CC..EExtended strand (participates in β ladder)trans-123.2171.3168.400000111.7L440 E441 F543L440-G513 CarbonylContact C-O 3.6Å; L440-G513 WeakPolarHBondContact CA-O 3.39Å; E441-G513 PolarHBondContact N-O 3.26Å; E441-G513 PolarHBondContact O-N 2.82Å; G513-F543 CarbonylContact C-O 3.52Å; G513-F543 VanDerWaalsContact C-O 3.26Å; G513-F543 VanDerWaalsContact CA-O 3.27Å; G513-F543 WeakPolarHBondContact CA-O 3.41Å
514S95.1Very high93.4Very high2 Ų236.3 Ų36.31%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-156.1142.6171.3-173.30000109.6E439 K516 N542 F543E439-S514 WeakPolarHBondContact O-CB 3.29Å; E439-S514 PolarHBondContact O-OG 3.11Å; S514-K516 PolarHBondContact O-N 3.05Å; S514-K516 PolarHBondContact OG-N 2.57Å; S514-N542 WeakPolarHBondContact O-CA 3.01Å; S514-F543 PolarHBondContact N-O 2.65Å; S514-F543 PolarHBondContact O-N 3.1Å
515N92.8Very high93.5Very high84 Ų8437.1 Ų37.145%0.44919%0.192SC..SBendtrans-84.97.6173.3-70.2-47.2000113.1E441 S541E441-N515 PolarHBondContact OE1-ND2 2.63Å; N515-S541 WeakPolarHBondContact CA-O 3.41Å; N515-S541 WeakPolarHBondContact O-CB 3.38Å; N515-S541 PolarHBondContact OD1-O 3.08Å
516K91.8Very high93.6Very high83 Ų8337.2 Ų37.236%0.36119%0.193SC..SBendtrans-112.7141.5177.3-64.4176-178.9162.80110.1I437 E439 S514 F543I437-K516 WeakPolarHBondContact O-CD 3.31Å; I437-K516 PolarHBondContact O-NZ 3.37Å; E439-K516 HydrophobicContact CB-CD 4.46Å; E439-K516 IonicContact OE2-NZ 3.62Å; S514-K516 PolarHBondContact O-N 3.05Å; S514-K516 PolarHBondContact OG-N 2.57Å; K516-F543 VanDerWaalsContact O-CB 3.31Å; K516-F543 WeakPolarHBondContact O-CB 3.22Å
517S91.9Very high93.5Very high24 Ų2436.4 Ų36.417%0.16819%0.19CC..  trans-72.3129.2173.2171.30000110.5E308 C519 G520 I521E308-S517 VanDerWaalsContact CD-OG 3.24Å; E308-S517 PolarHBondContact OE1-OG 3.2Å; E308-S517 WeakPolarHBondContact OE2-CA 3.33Å; E308-S517 PolarHBondContact OE2-OG 3.28Å; S517-C519 PolarHBondContact OG-N 3.03Å; S517-G520 PolarHBondContact OG-N 3.14Å; S517-G520 VanDerWaalsContact OG-N 3.12Å; S517-I521 PolarHBondContact OG-N 3.18Å
518Y92.4Very high93.1Very high6 Ų635.7 Ų35.72%0.02419%0.185CC..SBendtrans-70.5-43.4173179.3-84.3000111.3E308 M323 L325 R358 F402 A409 P411 L438 G520 F543E308-Y518 PolarHBondContact OE2-N 2.9Å; M323-Y518 HydrophobicContact CE-CE1 4.04Å; L325-Y518 HydrophobicContact CD1-CD1 3.42Å; L325-Y518 VanDerWaalsContact CD1-CD1 3.42Å; L325-Y518 HydrophobicContact CD1-CE1 4.28Å; L325-Y518 HydrophobicContact CD1-CG 3.88Å; R358-Y518 VanDerWaalsContact CZ-CE1 3.47Å; R358-Y518 PolarHBondContact NE-OH 2.89Å; R358-Y518 PolarHBondContact NH1-O 2.89Å; R358-Y518 PolarHBondContact NH2-OH 2.92Å; R358-Y518 VanDerWaalsContact NH2-OH 3.08Å; F402-Y518 HydrophobicContact CE1-CD1 4.11Å; F402-Y518 AromaticContact CE1-CE1 3.91Å; F402-Y518 HydrophobicContact CE1-CE1 3.91Å; F402-Y518 HydrophobicContact CZ-CD1 4.21Å; F402-Y518 AromaticContact CZ-CE1 3.62Å; F402-Y518 HydrophobicContact CZ-CE1 3.62Å; A409-Y518 PolarHBondContact O-OH 3.21Å; P411-Y518 HydrophobicContact CB-CD2 4.05Å; P411-Y518 HydrophobicContact CB-CE2 3.79Å; P411-Y518 HydrophobicContact CG-CE2 4.46Å; L438-Y518 HydrophobicContact CD1-CD2 3.53Å; L438-Y518 HydrophobicContact CD1-CE2 3.94Å; L438-Y518 HydrophobicContact CD2-CD2 4.37Å; L438-Y518 HydrophobicContact CG-CD2 4.46Å; Y518-G520 PolarHBondContact O-N 3.04Å; Y518-F543 HydrophobicContact CD2-CE1 4.03Å; Y518-F543 HydrophobicContact CD2-CE2 4.5Å; Y518-F543 AromaticContact CD2-CZ 3.81Å; Y518-F543 HydrophobicContact CD2-CZ 3.81Å; Y518-F543 HydrophobicContact CG-CE1 4.32Å; Y518-F543 HydrophobicContact CG-CE2 4.13Å; Y518-F543 AromaticContact CG-CZ 3.9Å; Y518-F543 HydrophobicContact CG-CZ 3.9Å
519C90.3Very high91.8Very high0 Ų037 Ų370%019%0.194CC..SBendtrans-71.4-20.2179.4-740000113.5E308 L325 C350 V361 F402 S517E308-C519 VanDerWaalsContact OE1-CB 3.24Å; E308-C519 WeakPolarHBondContact OE1-CB 3.45Å; E308-C519 PolarHBondContact OE1-N 2.98Å; L325-C519 WeakPolarHBondContact CD2-SG 3.26Å; C350-C519 PolarHBondContact SG-O 3.05Å; V361-C519 HydrophobicContact CG2-CB 4.46Å; F402-C519 VanDerWaalsContact CE1-SG 3.58Å; S517-C519 PolarHBondContact OG-N 3.03Å
520G89.1Confident90.3Very high12 Ų1238.3 Ų38.312%0.12421%0.206CC..  trans83.731.1-179.400000113.9S517 Y518 Q522S517-G520 PolarHBondContact OG-N 3.14Å; S517-G520 VanDerWaalsContact OG-N 3.12Å; Y518-G520 PolarHBondContact O-N 3.04Å; G520-Q522 PolarHBondContact O-N 2.83Å
521I91.4Very high88.7Confident5 Ų545.4 Ų45.43%0.02624%0.239CC..  trans-72.4125.2169.2-67.3-168.2000108.9I306 M329 V345 C350 L398 W400 S517I306-I521 HydrophobicContact CD1-CB 4.2Å; I306-I521 HydrophobicContact CD1-CG2 3.77Å; M329-I521 HydrophobicContact CE-CG2 3.66Å; V345-I521 HydrophobicContact CG1-CG2 3.58Å; C350-I521 WeakPolarHBondContact SG-CG1 2.97Å; L398-I521 HydrophobicContact CD2-CD1 4.36Å; W400-I521 HydrophobicContact CB-CD1 4.48Å; W400-I521 HydrophobicContact CD2-CD1 3.21Å; W400-I521 HydrophobicContact CD2-CG1 4.44Å; W400-I521 HydrophobicContact CE3-CD1 3.27Å; W400-I521 HydrophobicContact CG-CD1 3.8Å; W400-I521 HydrophobicContact CH2-CD1 3.71Å; W400-I521 HydrophobicContact CZ2-CD1 3.64Å; W400-I521 HydrophobicContact CZ2-CG1 4.39Å; W400-I521 HydrophobicContact CZ3-CD1 3.51Å; S517-I521 PolarHBondContact OG-N 3.18Å
522Q92Very high87.8Confident105 Ų10547.5 Ų47.549%0.49125%0.25SC..EExtended strand (participates in β ladder)trans-122.9136.8180-62.5-176.2-5.100111V345 D346 G520V345-Q522 CarbonylContact C-O 3.56Å; V345-Q522 WeakPolarHBondContact CA-O 3.5Å; V345-Q522 WeakPolarHBondContact CG1-O 3.34Å; D346-Q522 HydrophobicContact CB-CB 4.31Å; D346-Q522 PolarHBondContact N-O 3.01Å; D346-Q522 PolarHBondContact O-N 2.89Å; G520-Q522 PolarHBondContact O-N 2.83Å
523I93Very high87.3Confident28 Ų2850.5 Ų50.514%0.14427%0.268CS..EExtended strand (participates in β ladder)trans-91.5122.6174.6-54.2-176.9000107.4L304 I306 M329 I343 F537 F539L304-I523 HydrophobicContact CB-CD1 3.64Å; L304-I523 HydrophobicContact CD1-CD1 3.67Å; L304-I523 HydrophobicContact CD1-CG2 3.83Å; L304-I523 HydrophobicContact CG-CD1 4.26Å; I306-I523 HydrophobicContact CD1-CG1 4.43Å; M329-I523 HydrophobicContact CE-CD1 4.01Å; M329-I523 HydrophobicContact CE-CG1 3.8Å; I343-I523 HydrophobicContact CG2-CG2 4.13Å; I523-F537 HydrophobicContact CG2-CE2 3.81Å; I523-F537 HydrophobicContact CG2-CZ 3.89Å; I523-F539 HydrophobicContact CD1-CD2 3.26Å; I523-F539 HydrophobicContact CD1-CE2 3.46Å; I523-F539 VanDerWaalsContact CD1-CE2 3.46Å; I523-F539 HydrophobicContact CD1-CG 4.12Å; I523-F539 HydrophobicContact CD1-CZ 4.45Å; I523-F539 HydrophobicContact CG1-CD2 4.23Å; I523-F539 HydrophobicContact CG1-CE2 4.11Å
524I93.1Very high87Confident91 Ų9154.7 Ų54.747%0.46729%0.293SS..EExtended strand (participates in β ladder)trans-89.1-59-178.3-61.8167000109.6Q344 D346Q344-I524 HydrophobicContact CB-CB 4.24Å; Q344-I524 HydrophobicContact CG-CB 4.36Å; Q344-I524 HydrophobicContact CG-CD1 4.05Å; Q344-I524 PolarHBondContact O-N 2.93Å; D346-I524 HydrophobicContact CB-CD1 3.88Å; D346-I524 HydrophobicContact CB-CG1 4.19Å
525E93.4Very high86.7Confident82 Ų8255.1 Ų55.138%0.38330%0.295SS..EExtended strand (participates in β ladder)trans-157.1167.5-175.861.8177-159.600112.2Q344 W379Q344-E525 HydrophobicContact CB-CG 3.83Å; Q344-E525 PolarHBondContact N-O 3.26Å; Q344-E525 PolarHBondContact OE1-OE1 2.83Å; W379-E525 HydrophobicContact CH2-CG 3.79Å; W379-E525 WeakPolarHBondContact CH2-OE1 3.19Å; W379-E525 HydrophobicContact CZ2-CG 4.28Å; W379-E525 WeakPolarHBondContact CZ2-OE1 3.27Å
526A93.5Very high86.6Confident3 Ų356.3 Ų56.33%0.02530%0.301CS..EExtended strand (participates in β ladder)trans-136.5141.6172.700000111L302 K342 I343 I535 F537L302-A526 HydrophobicContact CD2-CB 3.86Å; K342-A526 CarbonylContact O-C 3.5Å; K342-A526 VanDerWaalsContact O-CA 3.24Å; K342-A526 WeakPolarHBondContact O-CA 3.47Å; I343-A526 HydrophobicContact CG1-CB 4.41Å; A526-I535 HydrophobicContact CB-CG2 3.63Å; A526-I535 PolarHBondContact O-N 3.18Å; A526-F537 HydrophobicContact CB-CD1 3.81Å; A526-F537 HydrophobicContact CB-CE1 4.28Å; A526-F537 HydrophobicContact CB-CG 4.38Å
527T92.6Very high86.6Confident7 Ų755.1 Ų55.14%0.04330%0.296CS..EExtended strand (participates in β ladder)trans-136.7159.6-178.761.80000111.8A341 K342 W379 T533A341-T527 CarbonylContact C-O 3.53Å; A341-T527 VanDerWaalsContact CA-O 3.31Å; A341-T527 WeakPolarHBondContact CA-O 3.41Å; K342-T527 PolarHBondContact N-O 2.85Å; K342-T527 PolarHBondContact O-N 2.95Å; W379-T527 HydrophobicContact CH2-CG2 4.07Å; W379-T527 HydrophobicContact CZ3-CG2 4.49Å; T527-T533 CarbonylContact C-O 3.56Å; T527-T533 VanDerWaalsContact CA-O 3.28Å; T527-T533 WeakPolarHBondContact CA-O 3.28Å
528V84.7Confident86.7Confident29 Ų2954.3 Ų54.318%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-84.4132.5174.5-177.70000110.6N530 Q531 D532 T533 I535V528-N530 PolarHBondContact O-N 2.86Å; V528-Q531 PolarHBondContact O-N 2.9Å; V528-D532 PolarHBondContact O-N 2.84Å; V528-T533 PolarHBondContact N-O 3.04Å; V528-I535 HydrophobicContact CG2-CB 4.17Å; V528-I535 HydrophobicContact CG2-CD1 4.15Å
529S69.9Low86.7Confident27 Ų2758 Ų5819%0.18931%0.306CS..THydrogen-bonded Turntrans-43.4-36.7-171.351.60000116.1E340 K342E340-S529 VanDerWaalsContact CB-OG 3.25Å; E340-S529 WeakPolarHBondContact CB-OG 3.46Å; E340-S529 WeakPolarHBondContact O-CB 3.49Å; E340-S529 PolarHBondContact O-N 2.85Å; E340-S529 PolarHBondContact OE2-OG 3.18Å; K342-S529 WeakPolarHBondContact CE-O 3.39Å; K342-S529 PolarHBondContact NZ-O 2.81Å; K342-S529 VanDerWaalsContact NZ-O 3.13Å
530N64.3Low86.9Confident128 Ų12859.6 Ų59.668%0.68431%0.314SS*.THydrogen-bonded Turntrans-98.9-12.3-165.1-65.4-36.8000114.9V528V528-N530 PolarHBondContact O-N 2.86Å
531Q62.9Low87.1Confident155 Ų15559.5 Ų59.572%0.72431%0.311SS*.THydrogen-bonded Turntrans-139.42.5-172.6-63.6-172.50.300114.4V528 T533V528-Q531 PolarHBondContact O-N 2.9Å; Q531-T533 VanDerWaalsContact CB-OG1 3.23Å; Q531-T533 WeakPolarHBondContact CB-OG1 3.46Å; Q531-T533 PolarHBondContact O-N 3.13Å; Q531-T533 PolarHBondContact O-OG1 3.4Å
532D77.5Confident87.3Confident109 Ų10961 Ų6158%0.58332%0.319SS*.THydrogen-bonded Turntrans45.430.8-171.9-61.1-33.8000112.1K342 V528K342-D532 IonicContact NZ-OD1 2.97Å; K342-D532 PolarHBondContact NZ-OD1 2.92Å; V528-D532 PolarHBondContact O-N 2.84Å
533T85.4Confident87.4Confident65 Ų6556 Ų5640%0.39930%0.296SS..EExtended strand (participates in β ladder)trans-84.6127.5-179.8-57.20000107.6T527 V528 Q531 I535T527-T533 CarbonylContact C-O 3.56Å; T527-T533 VanDerWaalsContact CA-O 3.28Å; T527-T533 WeakPolarHBondContact CA-O 3.28Å; V528-T533 PolarHBondContact N-O 3.04Å; Q531-T533 VanDerWaalsContact CB-OG1 3.23Å; Q531-T533 WeakPolarHBondContact CB-OG1 3.46Å; Q531-T533 PolarHBondContact O-N 3.13Å; Q531-T533 PolarHBondContact O-OG1 3.4Å; T533-I535 PolarHBondContact O-N 3.02Å
534P89.1Confident87.6Confident104 Ų10456.4 Ų56.468%0.67530%0.298SS*.EExtended strand (participates in β ladder)trans-55.1136.6178.3-26.434.5000111.7
535I89.9Confident87.7Confident11 Ų1152.5 Ų52.56%0.05628%0.278CS..  trans-111.5134172.3-166.7169.8000109.7N301 L302 A338 A526 V528 T533 F537N301-I535 HydrophobicContact CB-CD1 3.93Å; N301-I535 HydrophobicContact CB-CG1 3.9Å; L302-I535 HydrophobicContact CD2-CG2 4.42Å; A338-I535 HydrophobicContact CB-CD1 3.59Å; A526-I535 HydrophobicContact CB-CG2 3.63Å; A526-I535 PolarHBondContact O-N 3.18Å; V528-I535 HydrophobicContact CG2-CB 4.17Å; V528-I535 HydrophobicContact CG2-CD1 4.15Å; T533-I535 PolarHBondContact O-N 3.02Å; I535-F537 PolarHBondContact O-N 3.14Å
536N91Very high87.9Confident109 Ų10953.9 Ų53.958%0.58328%0.284SS*.  trans-65125.9173.3-72.7-6.1000109.7E300 N301 L302E300-N536 VanDerWaalsContact OE2-C 3.27Å; E300-N536 WeakPolarHBondContact OE2-CB 3.35Å; N301-N536 PolarHBondContact N-O 2.85Å; L302-N536 PolarHBondContact N-O 3.4Å
537F92.3Very high88Confident57 Ų5757.2 Ų57.225%0.2530%0.298CS..EExtended strand (participates in β ladder)trans-132.2145.9178.772.6-87.1000111.7E300 L302 L304 I523 A526 I535 F539E300-F537 VanDerWaalsContact OE2-C 3.26Å; E300-F537 PolarHBondContact OE2-N 3.5Å; L302-F537 HydrophobicContact CB-CB 3.88Å; L302-F537 HydrophobicContact CD2-CB 4.22Å; L302-F537 HydrophobicContact CG-CB 4.25Å; L302-F537 CarbonylContact O-C 3.52Å; L302-F537 WeakPolarHBondContact O-CA 3.5Å; L302-F537 WeakPolarHBondContact O-CB 3.2Å; L304-F537 HydrophobicContact CD1-CD2 3.8Å; L304-F537 HydrophobicContact CD1-CE2 4.22Å; L304-F537 HydrophobicContact CD1-CG 4.3Å; L304-F537 HydrophobicContact CG-CD2 4.4Å; I523-F537 HydrophobicContact CG2-CE2 3.81Å; I523-F537 HydrophobicContact CG2-CZ 3.89Å; A526-F537 HydrophobicContact CB-CD1 3.81Å; A526-F537 HydrophobicContact CB-CE1 4.28Å; A526-F537 HydrophobicContact CB-CG 4.38Å; I535-F537 PolarHBondContact O-N 3.14Å; F537-F539 HydrophobicContact CD2-CB 4.35Å; F537-F539 HydrophobicContact CE2-CB 4.2Å
538S93.7Very high88.2Confident8 Ų857.1 Ų57.16%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-98.3147.9169.352.90000109.6K298 K299 E300 L302 H303 L304K298-S538 WeakPolarHBondContact O-CB 3.48Å; K299-S538 WeakPolarHBondContact CA-OG 3.43Å; E300-S538 PolarHBondContact N-OG 3.26Å; E300-S538 VanDerWaalsContact N-OG 3.15Å; L302-S538 PolarHBondContact O-N 3.09Å; L302-S538 PolarHBondContact O-OG 3.26Å; H303-S538 WeakPolarHBondContact CA-O 3.4Å; H303-S538 WeakPolarHBondContact CB-OG 3.32Å; H303-S538 PolarHBondContact ND1-OG 3.46Å; L304-S538 PolarHBondContact N-O 3.12Å
539F92.8Very high88.7Confident82 Ų8257.7 Ų57.736%0.3630%0.298SS..EExtended strand (participates in β ladder)trans-136.6143.3-177.4167.8-110.4000111.7L304 I306 I523 F537L304-F539 HydrophobicContact CB-CD2 4.3Å; L304-F539 CarbonylContact O-C 3.45Å; L304-F539 VanDerWaalsContact O-CA 3.26Å; L304-F539 WeakPolarHBondContact O-CA 3.36Å; I306-F539 HydrophobicContact CB-CE2 4.18Å; I306-F539 HydrophobicContact CD1-CE2 3.61Å; I306-F539 HydrophobicContact CD1-CZ 3.87Å; I306-F539 HydrophobicContact CG1-CE2 3.79Å; I306-F539 HydrophobicContact CG1-CZ 4.4Å; I523-F539 HydrophobicContact CD1-CD2 3.26Å; I523-F539 HydrophobicContact CD1-CE2 3.46Å; I523-F539 VanDerWaalsContact CD1-CE2 3.46Å; I523-F539 HydrophobicContact CD1-CG 4.12Å; I523-F539 HydrophobicContact CD1-CZ 4.45Å; I523-F539 HydrophobicContact CG1-CD2 4.23Å; I523-F539 HydrophobicContact CG1-CE2 4.11Å; F537-F539 HydrophobicContact CD2-CB 4.35Å; F537-F539 HydrophobicContact CE2-CB 4.2Å
540E93.1Very high89.9Confident35 Ų3557 Ų5716%0.16429%0.292CS..EExtended strand (participates in β ladder)trans-141.4146.2167.370.1-171.5-15600111.2S295 V297 H303 L304 R305 I306S295-E540 WeakPolarHBondContact CB-OE2 3.47Å; S295-E540 PolarHBondContact OG-OE1 2.97Å; S295-E540 PolarHBondContact OG-OE2 2.8Å; V297-E540 HydrophobicContact CG2-CB 4.19Å; H303-E540 IonicContact CE1-OE2 3.65Å; H303-E540 IonicContact NE2-OE1 2.77Å; H303-E540 IonicContact NE2-OE2 3.54Å; L304-E540 PolarHBondContact O-N 3Å; R305-E540 CarbonylContact C-O 3.58Å; R305-E540 WeakPolarHBondContact CA-O 3.31Å; R305-E540 HydrophobicContact CB-CG 3.93Å; R305-E540 WeakPolarHBondContact CD-OE1 3.44Å; R305-E540 HydrophobicContact CG-CG 3.66Å; R305-E540 WeakPolarHBondContact CG-OE1 3.31Å; I306-E540 PolarHBondContact N-O 3.11Å
541S93.8Very high91.2Very high9 Ų954.8 Ų54.86%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-124.8136.4176-171.30000108.9I306 N515I306-S541 CarbonylContact O-C 3.44Å; I306-S541 WeakPolarHBondContact O-CA 3.43Å; N515-S541 WeakPolarHBondContact CA-O 3.41Å; N515-S541 WeakPolarHBondContact O-CB 3.38Å; N515-S541 PolarHBondContact OD1-O 3.08Å
542N94.4Very high92.6Very high36 Ų3649.8 Ų49.819%0.19327%0.265CS..EExtended strand (participates in β ladder)trans-137.1108.1177.5-175.8-7.1000109I306 E307 E308 S514I306-N542 PolarHBondContact O-N 3.24Å; E307-N542 CarbonylContact C-O 3.59Å; E307-N542 WeakPolarHBondContact CA-O 3.28Å; E308-N542 PolarHBondContact N-O 3.4Å; S514-N542 WeakPolarHBondContact O-CA 3.01Å
543F95.8Very high93.4Very high0 Ų046.7 Ų46.70%025%0.248CC..EExtended strand (participates in β ladder)trans-102.4121.6168.9166.6-122.5000108.7E308 L310 L325 P411 L438 L440 F512 G513 S514 K516 Y518E308-F543 HydrophobicContact CB-CB 4.26Å; E308-F543 HydrophobicContact CB-CD2 3.83Å; E308-F543 WeakPolarHBondContact O-CA 3.43Å; L310-F543 HydrophobicContact CB-CE2 3.82Å; L310-F543 HydrophobicContact CB-CZ 4.23Å; L310-F543 HydrophobicContact CD2-CE2 4.44Å; L310-F543 HydrophobicContact CD2-CZ 4.02Å; L325-F543 HydrophobicContact CD1-CD2 4.31Å; L325-F543 HydrophobicContact CD1-CE2 3.76Å; P411-F543 HydrophobicContact CB-CE1 4.42Å; P411-F543 HydrophobicContact CB-CZ 4.47Å; P411-F543 HydrophobicContact CG-CZ 4.26Å; L438-F543 HydrophobicContact CD1-CE1 4.37Å; L438-F543 HydrophobicContact CD2-CD1 4.44Å; L440-F543 HydrophobicContact CD2-CE1 4.48Å; F512-F543 HydrophobicContact CE2-CD1 4.35Å; F512-F543 AromaticContact CE2-CE1 3.69Å; F512-F543 HydrophobicContact CE2-CE1 3.69Å; F512-F543 HydrophobicContact CE2-CZ 4.11Å; F512-F543 HydrophobicContact CZ-CE1 4.44Å; G513-F543 CarbonylContact C-O 3.52Å; G513-F543 VanDerWaalsContact C-O 3.26Å; G513-F543 VanDerWaalsContact CA-O 3.27Å; G513-F543 WeakPolarHBondContact CA-O 3.41Å; S514-F543 PolarHBondContact N-O 2.65Å; S514-F543 PolarHBondContact O-N 3.1Å; K516-F543 VanDerWaalsContact O-CB 3.31Å; K516-F543 WeakPolarHBondContact O-CB 3.22Å; Y518-F543 HydrophobicContact CD2-CE1 4.03Å; Y518-F543 HydrophobicContact CD2-CE2 4.5Å; Y518-F543 AromaticContact CD2-CZ 3.81Å; Y518-F543 HydrophobicContact CD2-CZ 3.81Å; Y518-F543 HydrophobicContact CG-CE1 4.32Å; Y518-F543 HydrophobicContact CG-CE2 4.13Å; Y518-F543 AromaticContact CG-CZ 3.9Å; Y518-F543 HydrophobicContact CG-CZ 3.9Å
544H96.2Very high93.8Very high38 Ų3845.7 Ų45.718%0.17624%0.24CC..EExtended strand (participates in β ladder)trans-144.5160.3-17871.185.7000112.3E308 L310 F512E308-H544 PolarHBondContact O-N 2.78Å; L310-H544 PolarHBondContact N-O 3.05Å; F512-H544 WeakPolarHBondContact O-CA 3.16Å
545T96.6Very high94.1Very high9 Ų942.2 Ų42.26%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-77133.2171.5690000110.6L310 L510 N511 F512 Y548L310-T545 HydrophobicContact CD2-CG2 4.3Å; L510-T545 PolarHBondContact O-OG1 3.11Å; N511-T545 WeakPolarHBondContact CA-OG1 3.5Å; F512-T545 HydrophobicContact CD1-CG2 3.57Å; F512-T545 HydrophobicContact CD2-CG2 4.04Å; F512-T545 HydrophobicContact CE1-CG2 3.26Å; F512-T545 HydrophobicContact CE2-CG2 3.74Å; F512-T545 HydrophobicContact CG-CG2 3.96Å; F512-T545 HydrophobicContact CZ-CG2 3.35Å; F512-T545 PolarHBondContact O-N 2.88Å; F512-T545 VanDerWaalsContact O-N 3.17Å; T545-Y548 HydrophobicContact CG2-CD2 4.27Å
546E95.5Very high94.4Very high111 Ų11144.2 Ų44.252%0.51922%0.224SC..EExtended strand (participates in β ladder)trans-93.1-39.5164.2179.6166.2-164.300109.7K309 L310 I311K309-E546 HydrophobicContact CB-CB 4.31Å; K309-E546 WeakPolarHBondContact CD-OE2 3.22Å; L310-E546 PolarHBondContact O-N 2.79Å; I311-E546 HydrophobicContact CG1-CB 4.1Å; I311-E546 HydrophobicContact CG1-CG 4.45Å
547K96Very high94.6Very high72 Ų7239.9 Ų39.931%0.31320%0.2SC..EExtended strand (participates in β ladder)trans-153.1124.6173.5-177.3-176.1-178.3-171.20109.4L310 I311 V312 E549L310-K547 PolarHBondContact O-N 3.44Å; I311-K547 CarbonylContact C-O 3.57Å; I311-K547 WeakPolarHBondContact CA-O 3.47Å; I311-K547 HydrophobicContact CG2-CB 4.32Å; V312-K547 PolarHBondContact N-O 3.13Å; K547-E549 WeakPolarHBondContact CE-OE2 3.49Å; K547-E549 HydrophobicContact CG-CG 4.12Å; K547-E549 IonicContact NZ-OE2 3.11Å; K547-E549 PolarHBondContact NZ-OE2 2.82Å
548Y97Very high94.7Very high5 Ų538.6 Ų38.62%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-135.9107.9169.9-167-38.1000107L310 V312 L410 I412 K509 L510 F512 T545 I550L310-Y548 HydrophobicContact CD2-CD2 4.08Å; L310-Y548 HydrophobicContact CD2-CE2 4.38Å; V312-Y548 HydrophobicContact CB-CD1 3.87Å; V312-Y548 HydrophobicContact CB-CD2 3.95Å; V312-Y548 HydrophobicContact CB-CE1 4.05Å; V312-Y548 HydrophobicContact CB-CE2 4.17Å; V312-Y548 HydrophobicContact CB-CG 3.79Å; V312-Y548 HydrophobicContact CG1-CD1 3.76Å; V312-Y548 HydrophobicContact CG1-CD2 4.39Å; V312-Y548 HydrophobicContact CG1-CE1 3.49Å; V312-Y548 VanDerWaalsContact CG1-CE1 3.49Å; V312-Y548 HydrophobicContact CG1-CE2 4.21Å; V312-Y548 HydrophobicContact CG1-CG 4.19Å; V312-Y548 HydrophobicContact CG2-CD2 4Å; V312-Y548 HydrophobicContact CG2-CE2 4.02Å; V312-Y548 HydrophobicContact CG2-CG 4.36Å; L410-Y548 HydrophobicContact CD2-CE2 4.49Å; I412-Y548 HydrophobicContact CG2-CE2 4.04Å; I412-Y548 PolarHBondContact O-OH 2.82Å; K509-Y548 WeakPolarHBondContact CA-O 3.15Å; L510-Y548 HydrophobicContact CB-CD1 4.06Å; L510-Y548 HydrophobicContact CB-CD2 4.24Å; L510-Y548 HydrophobicContact CB-CG 3.8Å; L510-Y548 HydrophobicContact CD1-CD1 4.13Å; L510-Y548 HydrophobicContact CD1-CE1 4.4Å; L510-Y548 HydrophobicContact CD2-CD1 4.02Å; L510-Y548 HydrophobicContact CD2-CD2 4.22Å; L510-Y548 HydrophobicContact CD2-CE1 3.89Å; L510-Y548 HydrophobicContact CD2-CE2 4.06Å; L510-Y548 HydrophobicContact CD2-CG 4.22Å; L510-Y548 HydrophobicContact CG-CD1 4.28Å; L510-Y548 HydrophobicContact CG-CG 4.45Å; L510-Y548 PolarHBondContact N-O 2.97Å; F512-Y548 AromaticContact CE1-CD2 3.99Å; F512-Y548 HydrophobicContact CE1-CD2 3.99Å; F512-Y548 HydrophobicContact CE1-CE2 4.3Å; F512-Y548 HydrophobicContact CZ-CD2 4.5Å; T545-Y548 HydrophobicContact CG2-CD2 4.27Å; Y548-I550 HydrophobicContact CD1-CG1 4.43Å; Y548-I550 HydrophobicContact CE1-CD1 4.2Å; Y548-I550 HydrophobicContact CE1-CG1 4Å
549E96.1Very high94.8Very high42 Ų4241 Ų4120%0.19621%0.207CC..EExtended strand (participates in β ladder)trans-125.9135.5-178.3-64.9-172.8160.200111.4V312 Q313 A314 L508 K509 K547V312-E549 PolarHBondContact O-N 2.77Å; Q313-E549 WeakPolarHBondContact CA-O 3.45Å; A314-E549 PolarHBondContact N-O 3.4Å; L508-E549 VanDerWaalsContact O-CA 3.31Å; L508-E549 WeakPolarHBondContact O-CA 3.48Å; K509-E549 WeakPolarHBondContact CE-OE1 3.37Å; K509-E549 HydrophobicContact CG-CG 4.29Å; K509-E549 IonicContact NZ-OE1 3.62Å; K547-E549 WeakPolarHBondContact CE-OE2 3.49Å; K547-E549 HydrophobicContact CG-CG 4.12Å; K547-E549 IonicContact NZ-OE2 3.11Å; K547-E549 PolarHBondContact NZ-OE2 2.82Å
550I95.2Very high95Very high11 Ų1137.6 Ų37.66%0.05620%0.195CC..EExtended strand (participates in β ladder)trans-115.2121.8171.7-54.3172.4000107A314 V414 F506 P507 L508 L510 Y548A314-I550 HydrophobicContact CB-CG1 4.35Å; A314-I550 CarbonylContact O-C 3.58Å; A314-I550 VanDerWaalsContact O-CA 3.27Å; A314-I550 WeakPolarHBondContact O-CA 3.45Å; V414-I550 HydrophobicContact CB-CD1 3.7Å; V414-I550 HydrophobicContact CG1-CD1 4.26Å; F506-I550 HydrophobicContact CE1-CG2 4.46Å; P507-I550 CarbonylContact C-O 3.59Å; P507-I550 WeakPolarHBondContact CA-O 3.46Å; L508-I550 HydrophobicContact CB-CB 4.3Å; L508-I550 PolarHBondContact N-O 2.96Å; L508-I550 PolarHBondContact O-N 2.75Å; L510-I550 HydrophobicContact CD1-CD1 4.09Å; Y548-I550 HydrophobicContact CD1-CG1 4.43Å; Y548-I550 HydrophobicContact CE1-CD1 4.2Å; Y548-I550 HydrophobicContact CE1-CG1 4Å
551S90.3Very high95.2Very high83 Ų8337.8 Ų37.858%0.5820%0.197SC*.  trans-124.50-170.1-56.40000114.4A314 G315 R316A314-S551 PolarHBondContact O-N 3.48Å; G315-S551 CarbonylContact C-O 3.54Å; G315-S551 WeakPolarHBondContact CA-O 3.5Å; R316-S551 PolarHBondContact N-O 2.75Å

Retrieved 551 of 551 residues in 1515.5 ms (Link to these results)

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