A0A087XAE1_POEFO Loading...

RAB31, member RAS onco family

AlphaFold DB , UniProt , Accession A0A087XAE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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
1A68.3Low91.4Very high155 Ų15555.1 Ų55.1100%1.28133%0.331SS*.  0139.8000000107.7
2M77.8Confident91.9Very high94 Ų9450.6 Ų50.646%0.46330%0.304SS..PPolyproline II helixtrans-64.1135.2174.6-68.9177.874.800109.2N52 L54M2-N52 VanDerWaalsContact CE-C 3.5Å; M2-N52 WeakPolarHBondContact CE-O 3.41Å; M2-L54 HydrophobicContact CB-CD1 4.27Å; M2-L54 HydrophobicContact CB-CG 4.06Å; M2-L54 HydrophobicContact CE-CD2 4.19Å; M2-L54 HydrophobicContact CE-CG 4.3Å; M2-L54 HydrophobicContact SD-CD2 4.36Å; M2-L54 HydrophobicContact SD-CG 4.37Å
3A88.3Confident92.3Very high61 Ų6146.8 Ų46.850%0.50428%0.281SS..EExtended strand (participates in β ladder)trans-64.1136.9176.200000109.9L54A3-L54 PolarHBondContact O-N 3.41Å
4I92.9Very high92.6Very high108 Ų10846.4 Ų46.455%0.55428%0.277SS*.EExtended strand (participates in β ladder)trans-102.5124.5175-59.1174.2000108.1L54 K56I4-L54 CarbonylContact C-O 3.6Å; I4-L54 WeakPolarHBondContact CA-O 3.46Å; I4-L54 HydrophobicContact CG1-CB 4.06Å; I4-L54 HydrophobicContact CG1-CD1 4.14Å; I4-K56 HydrophobicContact CG2-CB 3.92Å
5R93Very high92.8Very high30 Ų3047.7 Ų47.711%0.11329%0.285CS..EExtended strand (participates in β ladder)trans-110.2123.6175.7-171.8179.9179.9-171.93.7109.7L7 L54 H55 K56 I167 P168 L170R5-L7 HydrophobicContact CG-CD2 3.98Å; R5-L54 PolarHBondContact N-O 2.89Å; R5-H55 CarbonylContact O-C 3.57Å; R5-H55 WeakPolarHBondContact O-CA 3.46Å; R5-K56 PolarHBondContact O-N 3.35Å; R5-I167 VanDerWaalsContact NH2-CG2 3.33Å; R5-P168 PolarHBondContact NH1-O 3.22Å; R5-P168 PolarHBondContact NH2-O 2.86Å; R5-L170 HydrophobicContact CG-CD1 4.38Å
6E95.8Very high93Very high110 Ų11047.8 Ų47.851%0.51430%0.299SS..EExtended strand (participates in β ladder)trans-87.5127.4176.9-60.1-161.3144.400110.9K56 L58E6-K56 CarbonylContact C-O 3.55Å; E6-K56 WeakPolarHBondContact CA-O 3.27Å; E6-K56 HydrophobicContact CG-CB 4.43Å; E6-K56 HydrophobicContact CG-CD 4.23Å; E6-K56 WeakPolarHBondContact OE1-CD 3.48Å; E6-K56 IonicContact OE1-NZ 2.74Å; E6-K56 PolarHBondContact OE1-NZ 3.37Å; E6-L58 HydrophobicContact CB-CD1 4.05Å; E6-L58 HydrophobicContact CB-CG 4.37Å
7L96.4Very high93.3Very high2 Ų245.1 Ų45.11%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-119.9104.2-178.4-57.3-177.5000109.3R5 V9 H55 K56 F57 L58 I167R5-L7 HydrophobicContact CG-CD2 3.98Å; L7-V9 PolarHBondContact O-N 2.88Å; L7-H55 HydrophobicContact CD1-CB 3.89Å; L7-H55 WeakPolarHBondContact CD1-ND1 3.29Å; L7-K56 PolarHBondContact N-O 2.96Å; L7-F57 HydrophobicContact CB-CD1 4.28Å; L7-F57 HydrophobicContact CB-CE1 4.45Å; L7-F57 HydrophobicContact CD1-CE1 4.09Å; L7-F57 HydrophobicContact CD1-CZ 4.15Å; L7-F57 WeakPolarHBondContact O-CA 3.38Å; L7-L58 PolarHBondContact O-N 2.74Å; L7-I167 HydrophobicContact CB-CD1 4.46Å; L7-I167 HydrophobicContact CD1-CD1 3.84Å; L7-I167 HydrophobicContact CD2-CD1 4.07Å; L7-I167 HydrophobicContact CD2-CG2 4.12Å; L7-I167 HydrophobicContact CG-CD1 4.36Å
8K97.6Very high93.6Very high46 Ų4643.2 Ų43.220%0.227%0.273CS..EExtended strand (participates in β ladder)trans-72.4124.4172.2-176.2-177.3170.5-177.50109.9L58 Y75 R77 S79 A80 A81K8-L58 WeakPolarHBondContact CA-O 3.35Å; K8-Y75 WeakPolarHBondContact CE-O 3.44Å; K8-Y75 PolarHBondContact NZ-O 2.82Å; K8-R77 PolarHBondContact NZ-O 2.95Å; K8-S79 WeakPolarHBondContact CE-OG 3.37Å; K8-S79 CarbonylContact O-C 3.46Å; K8-S79 WeakPolarHBondContact O-CA 3.34Å; K8-A80 PolarHBondContact O-N 3.01Å; K8-A81 PolarHBondContact O-N 3.03Å
9V98.3Very high93.8Very high0 Ų041.4 Ų41.40%026%0.261CS..EExtended strand (participates in β ladder)trans-129.2135178-178.90000109.1L7 F57 L58 I59 W60 A81 V83L7-V9 PolarHBondContact O-N 2.88Å; V9-F57 HydrophobicContact CG2-CD1 3.66Å; V9-F57 HydrophobicContact CG2-CE1 3.98Å; V9-L58 PolarHBondContact N-O 2.85Å; V9-I59 CarbonylContact O-C 3.52Å; V9-I59 WeakPolarHBondContact O-CA 3.49Å; V9-W60 PolarHBondContact O-N 3.28Å; V9-A81 WeakPolarHBondContact CA-O 3.47Å; V9-A81 HydrophobicContact CG1-CB 4.44Å; V9-A81 HydrophobicContact CG2-CB 4.14Å; V9-V83 HydrophobicContact CG1-CG2 3.97Å
10C98.1Very high94Very high0 Ų040.3 Ų40.30%025%0.254CS..EExtended strand (participates in β ladder)trans-115.1143.7171.158.80000111W60 A81 A82 V83C10-W60 WeakPolarHBondContact CA-O 3.38Å; C10-W60 HydrophobicContact CB-CB 4.1Å; C10-A81 PolarHBondContact N-O 2.97Å; C10-A82 WeakPolarHBondContact O-CA 3.39Å; C10-V83 PolarHBondContact O-N 2.9Å
11L98.6Very high94.3Very high0 Ų038.9 Ų38.90%025%0.246CC..EExtended strand (participates in β ladder)trans-99.3132.6170.8-72.880.3000109.4K19 V23 I59 W60 T62 V83 V85L11-K19 HydrophobicContact CB-CB 4.13Å; L11-K19 HydrophobicContact CB-CD 4.13Å; L11-K19 HydrophobicContact CB-CG 4.31Å; L11-K19 HydrophobicContact CD2-CB 3.86Å; L11-K19 WeakPolarHBondContact CD2-O 3.34Å; L11-V23 HydrophobicContact CD1-CG2 3.51Å; L11-V23 HydrophobicContact CD2-CG2 3.38Å; L11-V23 HydrophobicContact CG-CG2 4.06Å; L11-I59 HydrophobicContact CD1-CG2 3.41Å; L11-I59 VanDerWaalsContact CD1-CG2 3.41Å; L11-W60 PolarHBondContact N-O 3.47Å; L11-T62 WeakPolarHBondContact O-CB 3.46Å; L11-T62 VanDerWaalsContact O-CG2 3.26Å; L11-T62 WeakPolarHBondContact O-CG2 3.26Å; L11-T62 PolarHBondContact O-OG1 3.1Å; L11-V83 CarbonylContact C-O 3.54Å; L11-V83 VanDerWaalsContact CA-O 3.28Å; L11-V83 WeakPolarHBondContact CA-O 3.35Å; L11-V83 HydrophobicContact CG-CB 4.17Å; L11-V85 HydrophobicContact CD2-CG2 4.4Å
12L98Very high95.7Very high1 Ų131.5 Ų31.51%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-126.3162177.7-57.7174000109.9K19 T62 A72 Y76 V83 I84 V85 W100 L104L12-K19 VanDerWaalsContact C-CD 3.46Å; L12-K19 WeakPolarHBondContact O-CD 3.5Å; L12-T62 HydrophobicContact CD2-CG2 4.35Å; L12-A72 HydrophobicContact CD2-CB 4.49Å; L12-Y76 HydrophobicContact CD1-CD1 4.14Å; L12-V83 PolarHBondContact N-O 3.03Å; L12-I84 HydrophobicContact CB-CG1 4.41Å; L12-I84 HydrophobicContact CB-CG2 4.46Å; L12-I84 WeakPolarHBondContact O-CA 3.36Å; L12-V85 PolarHBondContact O-N 3.48Å; L12-W100 HydrophobicContact CB-CD2 4.27Å; L12-W100 HydrophobicContact CB-CE3 4.29Å; L12-W100 HydrophobicContact CD1-CE3 4.28Å; L12-W100 HydrophobicContact CD2-CE3 4.46Å; L12-W100 HydrophobicContact CD2-CZ3 4.24Å; L12-L104 HydrophobicContact CD1-CD1 4.42Å
13G97.5Very high96.7Very high1 Ų127 Ų271%0.0116%0.163CC..SBendtrans129170.2-176.400000112.6K19 G64G13-K19 PolarHBondContact O-NZ 2.98Å; G13-G64 WeakPolarHBondContact O-CA 3.32Å
14D96.1Very high97.1Very high42 Ų4225.4 Ų25.423%0.22515%0.148CC..  trans-68.5167.7-171.9-72.1-3.3000113.7V17 K19 T96D14-V17 HydrophobicContact CB-CG1 3.95Å; D14-V17 VanDerWaalsContact O-CG2 3.27Å; D14-V17 WeakPolarHBondContact O-CG2 3.35Å; D14-K19 PolarHBondContact O-NZ 2.88Å; D14-T96 WeakPolarHBondContact OD1-CG2 3.49Å; D14-T96 WeakPolarHBondContact OD2-CB 3.34Å; D14-T96 PolarHBondContact OD2-OG1 3.18Å
15T95.4Very high97.4Very high65 Ų6522.2 Ų22.240%0.39913%0.128SC..THydrogen-bonded Turntrans-63.4136.6172.5-60.80000109.9V17 G64 Q65T15-V17 VanDerWaalsContact C-N 3.32Å; T15-V17 PolarHBondContact O-N 3.16Å; T15-G64 PolarHBondContact N-O 3.04Å; T15-G64 PolarHBondContact OG1-O 2.96Å; T15-Q65 HydrophobicContact CG2-CG 4.39Å; T15-Q65 WeakPolarHBondContact OG1-CA 3.18Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.34Å; T15-Q65 PolarHBondContact OG1-N 3.24Å; T15-Q65 VanDerWaalsContact OG1-N 3.07Å
16G96Very high97.7Very high49 Ų4921 Ų2151%0.50512%0.124SC..THydrogen-bonded Turntrans80.50.5174.400000116.2G18 K120G16-G18 PolarHBondContact O-N 3.06Å; G16-K120 WeakPolarHBondContact O-CE 3.44Å; G16-K120 PolarHBondContact O-NZ 2.99Å
17V98.1Very high97.8Very high3 Ų317.6 Ų17.62%0.01811%0.111CC..SBendtrans-70.2-17.7172.7-550000112.8D14 T15 K19 V85 D87 N119D14-V17 HydrophobicContact CB-CG1 3.95Å; D14-V17 VanDerWaalsContact O-CG2 3.27Å; D14-V17 WeakPolarHBondContact O-CG2 3.35Å; T15-V17 VanDerWaalsContact C-N 3.32Å; T15-V17 PolarHBondContact O-N 3.16Å; V17-K19 HydrophobicContact CG2-CD 4.43Å; V17-K19 HydrophobicContact CG2-CG 3.73Å; V17-V85 HydrophobicContact CB-CG1 4.21Å; V17-V85 HydrophobicContact CG2-CB 3.79Å; V17-V85 HydrophobicContact CG2-CG1 3.77Å; V17-D87 HydrophobicContact CB-CB 4.42Å; V17-D87 HydrophobicContact CG1-CB 4.37Å; V17-N119 PolarHBondContact O-ND2 3.01Å
18G98.2Very high97.8Very high11 Ų1122.9 Ų22.911%0.11314%0.135CC..SBendtrans99.725.817400000115.6G16 S21 I22G16-G18 PolarHBondContact O-N 3.06Å; G18-S21 PolarHBondContact O-N 2.86Å; G18-I22 WeakPolarHBondContact O-CG1 3.43Å; G18-I22 PolarHBondContact O-N 2.72Å
19K98.4Very high97.7Very high9 Ų926.2 Ų26.24%0.03916%0.155CC..Hα-helixtrans-50.2-57.6172.2-59.3-173.9-58.1-75.60111.6L11 L12 G13 D14 V17 S21 I22 V23 D61 T62 V85L11-K19 HydrophobicContact CB-CB 4.13Å; L11-K19 HydrophobicContact CB-CD 4.13Å; L11-K19 HydrophobicContact CB-CG 4.31Å; L11-K19 HydrophobicContact CD2-CB 3.86Å; L11-K19 WeakPolarHBondContact CD2-O 3.34Å; L12-K19 VanDerWaalsContact C-CD 3.46Å; L12-K19 WeakPolarHBondContact O-CD 3.5Å; G13-K19 PolarHBondContact O-NZ 2.98Å; D14-K19 PolarHBondContact O-NZ 2.88Å; V17-K19 HydrophobicContact CG2-CD 4.43Å; V17-K19 HydrophobicContact CG2-CG 3.73Å; K19-S21 VanDerWaalsContact C-N 3.29Å; K19-S21 PolarHBondContact O-N 3.49Å; K19-I22 WeakPolarHBondContact O-CB 3.26Å; K19-I22 PolarHBondContact O-N 2.91Å; K19-I22 VanDerWaalsContact O-N 3.1Å; K19-V23 WeakPolarHBondContact O-CG2 3.2Å; K19-V23 PolarHBondContact O-N 2.81Å; K19-D61 WeakPolarHBondContact CB-OD1 3.49Å; K19-T62 WeakPolarHBondContact CE-O 3.35Å; K19-V85 HydrophobicContact CG-CB 3.96Å; K19-V85 HydrophobicContact CG-CG2 3.89Å
20S98.3Very high97.6Very high18 Ų1830.7 Ų30.713%0.12618%0.176CC..Hα-helixtrans-58.4-40.7178.8-43.50000112.2I22 V23 C24 T38 D61S20-I22 PolarHBondContact O-N 2.81Å; S20-V23 PolarHBondContact O-N 2.87Å; S20-C24 WeakPolarHBondContact O-CB 3.24Å; S20-C24 PolarHBondContact O-N 2.78Å; S20-C24 PolarHBondContact O-SG 2.74Å; S20-C24 VanDerWaalsContact O-SG 3.37Å; S20-T38 PolarHBondContact OG-OG1 2.67Å; S20-D61 WeakPolarHBondContact CA-OD2 3.29Å; S20-D61 VanDerWaalsContact CB-OD2 3.22Å; S20-D61 WeakPolarHBondContact CB-OD2 3.43Å; S20-D61 PolarHBondContact N-OD1 3.41Å; S20-D61 PolarHBondContact OG-OD1 2.84Å; S20-D61 PolarHBondContact OG-OD2 2.71Å
21S98.5Very high97.6Very high12 Ų1233 Ų338%0.08419%0.186CC..Hα-helixtrans-64.7-39.4176.9-49.10000112.6G18 K19 R25G18-S21 PolarHBondContact O-N 2.86Å; K19-S21 VanDerWaalsContact C-N 3.29Å; K19-S21 PolarHBondContact O-N 3.49Å; S21-R25 VanDerWaalsContact O-CB 3.23Å; S21-R25 WeakPolarHBondContact O-CB 3.36Å; S21-R25 PolarHBondContact O-N 2.99Å
22I98.8Very high97.3Very high0 Ų036.4 Ų36.40%020%0.204CC..Hα-helixtrans-62.3-45.2173.7-71.6168.5000110G18 K19 S20 R25 F26 V85 N119 A150 V156 L159 F160G18-I22 WeakPolarHBondContact O-CG1 3.43Å; G18-I22 PolarHBondContact O-N 2.72Å; K19-I22 WeakPolarHBondContact O-CB 3.26Å; K19-I22 PolarHBondContact O-N 2.91Å; K19-I22 VanDerWaalsContact O-N 3.1Å; S20-I22 PolarHBondContact O-N 2.81Å; I22-R25 PolarHBondContact O-N 2.87Å; I22-F26 WeakPolarHBondContact O-CB 3.45Å; I22-F26 PolarHBondContact O-N 3.23Å; I22-V85 HydrophobicContact CD1-CG1 3.81Å; I22-V85 HydrophobicContact CD1-CG2 4.09Å; I22-N119 HydrophobicContact CD1-CB 4.07Å; I22-A150 HydrophobicContact CG1-CB 4.15Å; I22-V156 HydrophobicContact CG2-CG1 4.27Å; I22-L159 HydrophobicContact CG2-CD2 4.26Å; I22-F160 HydrophobicContact CG2-CE2 4.06Å; I22-F160 HydrophobicContact CG2-CZ 4.41Å
23V98.3Very high97Very high0 Ų042.3 Ų42.30%023%0.232CC..Hα-helixtrans-66.5-46.3-179.9-1780000111.4L11 K19 S20 R25 F26 V27 L44 I59 D61L11-V23 HydrophobicContact CD1-CG2 3.51Å; L11-V23 HydrophobicContact CD2-CG2 3.38Å; L11-V23 HydrophobicContact CG-CG2 4.06Å; K19-V23 WeakPolarHBondContact O-CG2 3.2Å; K19-V23 PolarHBondContact O-N 2.81Å; S20-V23 PolarHBondContact O-N 2.87Å; V23-R25 VanDerWaalsContact C-N 3.33Å; V23-R25 PolarHBondContact O-N 3.24Å; V23-F26 PolarHBondContact O-N 3.43Å; V23-V27 HydrophobicContact CG1-CG2 3.98Å; V23-V27 WeakPolarHBondContact O-CB 3.08Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.5Å; V23-V27 PolarHBondContact O-N 3.24Å; V23-L44 HydrophobicContact CG1-CB 4.08Å; V23-L44 HydrophobicContact CG1-CD1 3.74Å; V23-L44 HydrophobicContact CG1-CD2 4.17Å; V23-L44 HydrophobicContact CG1-CG 4.2Å; V23-I59 HydrophobicContact CG1-CB 4.47Å; V23-I59 HydrophobicContact CG1-CD1 4.38Å; V23-I59 HydrophobicContact CG1-CG2 3.84Å; V23-I59 HydrophobicContact CG2-CG2 3.78Å; V23-D61 HydrophobicContact CG2-CB 4.26Å
24C97.6Very high96.7Very high27 Ų2748.8 Ų48.818%0.18227%0.266CS..Hα-helixtrans-59.4-43.8174.8-74.30000111.4S20 F26 V27 Q28 D29 H30S20-C24 WeakPolarHBondContact O-CB 3.24Å; S20-C24 PolarHBondContact O-N 2.78Å; S20-C24 PolarHBondContact O-SG 2.74Å; S20-C24 VanDerWaalsContact O-SG 3.37Å; C24-F26 PolarHBondContact O-N 3.12Å; C24-V27 PolarHBondContact O-N 3.25Å; C24-Q28 WeakPolarHBondContact O-CA 3.45Å; C24-Q28 WeakPolarHBondContact O-CB 3.39Å; C24-Q28 PolarHBondContact O-N 3.46Å; C24-D29 PolarHBondContact O-N 2.77Å; C24-H30 CarbonylContact C-O 3.6Å
25R98.4Very high96.4Very high40 Ų4049.9 Ų49.915%0.15127%0.271CS..Hα-helixtrans-62.4-44.4176.317756.872-172.42.1111.4S21 I22 V23 D29 H30 A150 R151 A153 V156S21-R25 VanDerWaalsContact O-CB 3.23Å; S21-R25 WeakPolarHBondContact O-CB 3.36Å; S21-R25 PolarHBondContact O-N 2.99Å; I22-R25 PolarHBondContact O-N 2.87Å; V23-R25 VanDerWaalsContact C-N 3.33Å; V23-R25 PolarHBondContact O-N 3.24Å; R25-D29 WeakPolarHBondContact CD-OD1 3.42Å; R25-D29 IonicContact CZ-OD1 2.75Å; R25-D29 PolarHBondContact NH1-O 2.67Å; R25-D29 IonicContact NH1-OD1 3.79Å; R25-D29 PolarHBondContact NH1-OD1 2.65Å; R25-D29 VanDerWaalsContact O-CA 3.24Å; R25-D29 WeakPolarHBondContact O-CA 3.35Å; R25-D29 PolarHBondContact O-N 3.36Å; R25-D29 VanDerWaalsContact O-N 3.12Å; R25-H30 WeakPolarHBondContact CA-O 3.3Å; R25-H30 PolarHBondContact N-O 2.9Å; R25-A150 HydrophobicContact CB-CB 4.5Å; R25-A150 PolarHBondContact NE-O 3.42Å; R25-R151 PolarHBondContact NH2-O 3.16Å; R25-A153 HydrophobicContact CG-CB 4.18Å; R25-V156 HydrophobicContact CB-CG1 4.21Å; R25-V156 HydrophobicContact CB-CG2 4.47Å; R25-V156 HydrophobicContact CG-CB 4.08Å; R25-V156 HydrophobicContact CG-CG1 3.94Å; R25-V156 HydrophobicContact CG-CG2 3.94Å
26F98.6Very high96.1Very high4 Ų451.4 Ų51.42%0.01829%0.285CS..Hα-helixtrans-66-48.2178.9179.3-121.8000112I22 V23 C24 K46 V48 F57 I59 V156 E157 F160I22-F26 WeakPolarHBondContact O-CB 3.45Å; I22-F26 PolarHBondContact O-N 3.23Å; V23-F26 PolarHBondContact O-N 3.43Å; C24-F26 PolarHBondContact O-N 3.12Å; F26-K46 HydrophobicContact CD1-CB 4.32Å; F26-K46 HydrophobicContact CD1-CD 3.95Å; F26-K46 HydrophobicContact CD2-CD 4.07Å; F26-K46 HydrophobicContact CE1-CB 3.83Å; F26-K46 HydrophobicContact CE1-CD 3.74Å; F26-K46 HydrophobicContact CE1-CG 4.11Å; F26-K46 HydrophobicContact CE2-CD 3.86Å; F26-K46 HydrophobicContact CG-CD 4.12Å; F26-K46 HydrophobicContact CZ-CB 4.36Å; F26-K46 HydrophobicContact CZ-CD 3.69Å; F26-K46 HydrophobicContact CZ-CG 4.16Å; F26-K46 WeakPolarHBondContact O-CD 3.5Å; F26-K46 WeakPolarHBondContact O-CE 2.91Å; F26-K46 PolarHBondContact O-NZ 3.5Å; F26-V48 HydrophobicContact CE2-CG1 4.29Å; F26-V48 HydrophobicContact CZ-CG1 3.95Å; F26-F57 HydrophobicContact CE1-CB 4.47Å; F26-F57 HydrophobicContact CE1-CD2 4.15Å; F26-F57 HydrophobicContact CE1-CG 4.33Å; F26-F57 HydrophobicContact CZ-CD2 4.04Å; F26-F57 HydrophobicContact CZ-CE2 4.29Å; F26-I59 HydrophobicContact CD1-CD1 3.71Å; F26-I59 HydrophobicContact CE1-CD1 3.87Å; F26-V156 HydrophobicContact CB-CG1 3.74Å; F26-E157 VanDerWaalsContact CD2-OE2 3.29Å; F26-E157 WeakPolarHBondContact CD2-OE2 3.43Å; F26-E157 WeakPolarHBondContact CE2-OE2 3.38Å; F26-F160 HydrophobicContact CB-CD2 3.97Å; F26-F160 HydrophobicContact CB-CE2 3.59Å; F26-F160 HydrophobicContact CB-CZ 4.31Å; F26-F160 HydrophobicContact CD1-CD1 4.07Å; F26-F160 AromaticContact CD1-CD2 3.65Å; F26-F160 HydrophobicContact CD1-CD2 3.65Å; F26-F160 HydrophobicContact CD1-CE1 4.04Å; F26-F160 AromaticContact CD1-CE2 3.64Å; F26-F160 HydrophobicContact CD1-CE2 3.64Å; F26-F160 AromaticContact CD1-CG 3.89Å; F26-F160 HydrophobicContact CD1-CG 3.89Å; F26-F160 AromaticContact CD1-CZ 3.84Å; F26-F160 HydrophobicContact CD1-CZ 3.84Å; F26-F160 HydrophobicContact CD2-CB 4.26Å; F26-F160 AromaticContact CD2-CD2 3.41Å; F26-F160 HydrophobicContact CD2-CD2 3.41Å; F26-F160 VanDerWaalsContact CD2-CD2 3.41Å; F26-F160 AromaticContact CD2-CE2 3.97Å; F26-F160 HydrophobicContact CD2-CE2 3.97Å; F26-F160 AromaticContact CD2-CG 3.97Å; F26-F160 HydrophobicContact CD2-CG 3.97Å; F26-F160 HydrophobicContact CE1-CB 4.13Å; F26-F160 AromaticContact CE1-CD1 3.77Å; F26-F160 HydrophobicContact CE1-CD1 3.77Å; F26-F160 AromaticContact CE1-CD2 3.9Å; F26-F160 HydrophobicContact CE1-CD2 3.9Å; F26-F160 HydrophobicContact CE1-CE1 4.13Å; F26-F160 HydrophobicContact CE1-CE2 4.27Å; F26-F160 AromaticContact CE1-CG 3.65Å; F26-F160 HydrophobicContact CE1-CG 3.65Å; F26-F160 HydrophobicContact CE1-CZ 4.37Å; F26-F160 HydrophobicContact CE2-CB 3.62Å; F26-F160 AromaticContact CE2-CD2 3.68Å; F26-F160 HydrophobicContact CE2-CD2 3.68Å; F26-F160 AromaticContact CE2-CG 3.74Å; F26-F160 HydrophobicContact CE2-CG 3.74Å; F26-F160 AromaticContact CG-CD2 3.39Å; F26-F160 HydrophobicContact CG-CD2 3.39Å; F26-F160 AromaticContact CG-CE2 3.46Å; F26-F160 HydrophobicContact CG-CE2 3.46Å; F26-F160 VanDerWaalsContact CG-CE2 3.46Å; F26-F160 HydrophobicContact CG-CG 4.04Å; F26-F160 HydrophobicContact CG-CZ 4.13Å; F26-F160 HydrophobicContact CZ-CB 3.55Å; F26-F160 HydrophobicContact CZ-CD1 4.09Å; F26-F160 AromaticContact CZ-CD2 3.92Å; F26-F160 HydrophobicContact CZ-CD2 3.92Å; F26-F160 AromaticContact CZ-CG 3.58Å; F26-F160 HydrophobicContact CZ-CG 3.58Å
27V97.9Very high95.9Very high40 Ų4052.9 Ų52.924%0.24229%0.285CS..Hα-helixtrans-80.6-39.1-170.8178.70000112.4V23 C24 L44 K46 I59V23-V27 HydrophobicContact CG1-CG2 3.98Å; V23-V27 WeakPolarHBondContact O-CB 3.08Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.5Å; V23-V27 PolarHBondContact O-N 3.24Å; C24-V27 PolarHBondContact O-N 3.25Å; V27-L44 HydrophobicContact CB-CD2 4.24Å; V27-L44 HydrophobicContact CG1-CB 4.47Å; V27-L44 HydrophobicContact CG1-CD2 4.1Å; V27-L44 HydrophobicContact CG2-CB 4.08Å; V27-L44 HydrophobicContact CG2-CD2 4.35Å; V27-K46 HydrophobicContact CG2-CB 4.21Å; V27-I59 HydrophobicContact CG2-CD1 3.85Å
28Q96.8Very high95.5Very high112 Ų11254 Ų5452%0.52329%0.292SS..Hα-helixtrans-118.5-3.7-167.4-57.6172.3-300113.3C24 H30C24-Q28 WeakPolarHBondContact O-CA 3.45Å; C24-Q28 WeakPolarHBondContact O-CB 3.39Å; C24-Q28 PolarHBondContact O-N 3.46Å; Q28-H30 HydrophobicContact CB-CB 4.1Å; Q28-H30 PolarHBondContact O-N 2.8Å
29D96.8Very high95.1Very high116 Ų11660 Ų6062%0.6232%0.321SS*.SBendtrans4939.6-169.1-163.925000113.2C24 R25C24-D29 PolarHBondContact O-N 2.77Å; R25-D29 WeakPolarHBondContact CD-OD1 3.42Å; R25-D29 IonicContact CZ-OD1 2.75Å; R25-D29 PolarHBondContact NH1-O 2.67Å; R25-D29 IonicContact NH1-OD1 3.79Å; R25-D29 PolarHBondContact NH1-OD1 2.65Å; R25-D29 VanDerWaalsContact O-CA 3.24Å; R25-D29 WeakPolarHBondContact O-CA 3.35Å; R25-D29 PolarHBondContact O-N 3.36Å; R25-D29 VanDerWaalsContact O-N 3.12Å
30H95.6Very high94.7Very high95 Ų9560.2 Ų60.244%0.4433%0.325SS..  trans-126148.6-176.4-177.366000111.7C24 R25 Q28C24-H30 CarbonylContact C-O 3.6Å; R25-H30 WeakPolarHBondContact CA-O 3.3Å; R25-H30 PolarHBondContact N-O 2.9Å; Q28-H30 HydrophobicContact CB-CB 4.1Å; Q28-H30 PolarHBondContact O-N 2.8Å
31F96.9Very high94.4Very high48 Ų4861 Ų6121%0.21133%0.332CS..  trans-137.2128.2173177.9-93.8000109.9H33 A150 R151F31-H33 AromaticContact CE1-CD2 3.97Å; F31-H33 AromaticContact CE1-CE1 3.59Å; F31-H33 AromaticContact CE1-CG 3.87Å; F31-H33 AromaticContact CE1-ND1 3.63Å; F31-H33 AromaticContact CE1-NE2 3.8Å; F31-A150 HydrophobicContact CD2-CB 4.09Å; F31-A150 HydrophobicContact CE2-CB 4.22Å; F31-R151 HydrophobicContact CD1-CB 4.36Å; F31-R151 HydrophobicContact CD1-CG 4.13Å; F31-R151 HydrophobicContact CD2-CB 4.32Å; F31-R151 HydrophobicContact CE1-CB 4.07Å; F31-R151 HydrophobicContact CE1-CG 3.84Å; F31-R151 HydrophobicContact CE2-CB 4.02Å; F31-R151 HydrophobicContact CG-CB 4.48Å; F31-R151 HydrophobicContact CZ-CB 3.89Å; F31-R151 HydrophobicContact CZ-CG 4.13Å
32D94.1Very high94.2Very high71 Ų7162.9 Ų62.938%0.3835%0.345SS..  trans-116.3127.2175.6-175.62000109.8N34D32-N34 VanDerWaalsContact C-N 3.25Å; D32-N34 PolarHBondContact O-N 3.22Å; D32-N34 PolarHBondContact OD1-N 2.75Å
33H89.9Confident94.1Very high125 Ų12567.7 Ų67.758%0.57937%0.366SS*.THydrogen-bonded Turntrans-68.3-25.6175.6-75.9-79000112.8F31F31-H33 AromaticContact CE1-CD2 3.97Å; F31-H33 AromaticContact CE1-CE1 3.59Å; F31-H33 AromaticContact CE1-CG 3.87Å; F31-H33 AromaticContact CE1-ND1 3.63Å; F31-H33 AromaticContact CE1-NE2 3.8Å
34N91.5Very high94.1Very high137 Ų13769 Ų6973%0.73337%0.373SS*.THydrogen-bonded Turntrans-109.930-172.1-60.9-43.8000112.4D32 S36D32-N34 VanDerWaalsContact C-N 3.25Å; D32-N34 PolarHBondContact O-N 3.22Å; D32-N34 PolarHBondContact OD1-N 2.75Å; N34-S36 PolarHBondContact O-N 2.92Å
35I90.7Very high94.1Very high66 Ų6670.7 Ų70.734%0.33838%0.383SS..PPolyproline II helixtrans-60121.6179.9-163.9163.6000111
36S89.6Confident94.1Very high97 Ų9771.2 Ų71.268%0.67839%0.386SS*.PPolyproline II helixtrans-65.2146.6176.5-69.60000111N34 T38N34-S36 PolarHBondContact O-N 2.92Å; S36-T38 PolarHBondContact O-N 3.4Å
37P91.6Very high94.1Very high79 Ų7974.5 Ų74.551%0.51341%0.407SS..PPolyproline II helixtrans-56.3132.8173.7-24.733.9000112.1I39P37-I39 PolarHBondContact O-N 3.12Å
38T89.3Confident93.9Very high28 Ų2873 Ų7317%0.17240%0.397CS..PPolyproline II helixtrans-61.2131.9173.6-53.50000110.5S20 S36 D61 A63S20-T38 PolarHBondContact OG-OG1 2.67Å; S36-T38 PolarHBondContact O-N 3.4Å; T38-D61 PolarHBondContact OG1-OD2 3.16Å; T38-D61 VanDerWaalsContact OG1-OD2 3.06Å; T38-A63 WeakPolarHBondContact O-CB 3.33Å
39I89Confident93.7Very high137 Ų13772.6 Ų72.670%0.70341%0.405SS*.SBendtrans-100.1118.7173-58.8177.9000107.6P37 A41 F68P37-I39 PolarHBondContact O-N 3.12Å; I39-A41 PolarHBondContact O-N 2.71Å; I39-A41 VanDerWaalsContact O-N 3.08Å; I39-F68 HydrophobicContact CG2-CZ 3.91Å
40G89.9Confident93.3Very high13 Ų1368.6 Ų68.613%0.13439%0.385CS..SBendtrans67.7-102.4-175.300000112.1A63G40-A63 WeakPolarHBondContact O-CB 3.46Å; G40-A63 PolarHBondContact O-N 2.91Å
41A92.5Very high92.9Very high33 Ų3367.3 Ų67.327%0.27340%0.398SS..EExtended strand (participates in β ladder)trans-152.2154.1172.800000112.4I39 W60 D61 Y75I39-A41 PolarHBondContact O-N 2.71Å; I39-A41 VanDerWaalsContact O-N 3.08Å; A41-W60 HydrophobicContact CB-CE3 4.24Å; A41-D61 CarbonylContact C-O 3.56Å; A41-D61 WeakPolarHBondContact CA-O 3.38Å; A41-D61 WeakPolarHBondContact CB-O 3.46Å; A41-Y75 HydrophobicContact CB-CD1 4.09Å; A41-Y75 HydrophobicContact CB-CE1 3.34Å; A41-Y75 HydrophobicContact CB-CE2 4.12Å; A41-Y75 WeakPolarHBondContact CB-OH 3.37Å
42S95Very high92.4Very high52 Ų5272.2 Ų72.236%0.36443%0.427SS..EExtended strand (participates in β ladder)trans-109.6148.6169.8-173.40000110.4L44 D61S42-L44 WeakPolarHBondContact OG-CD1 3.45Å; S42-D61 PolarHBondContact N-O 3.13Å; S42-D61 PolarHBondContact O-N 3.05Å
43F96.7Very high92.3Very high101 Ų10172.1 Ų72.144%0.44342%0.424SS..EExtended strand (participates in β ladder)trans-117.1124.1179.7-179.5-105.8000110.5T45 L58 I59 W60F43-T45 HydrophobicContact CE1-CG2 3.6Å; F43-T45 HydrophobicContact CZ-CG2 3.6Å; F43-L58 HydrophobicContact CE2-CB 3.81Å; F43-L58 HydrophobicContact CZ-CB 3.98Å; F43-L58 HydrophobicContact CZ-CD2 4.12Å; F43-I59 WeakPolarHBondContact CA-O 3.38Å; F43-W60 HydrophobicContact CD2-CD2 4.16Å; F43-W60 AromaticContact CD2-CE2 3.82Å; F43-W60 HydrophobicContact CD2-CG 4.47Å; F43-W60 HydrophobicContact CD2-CZ2 4.12Å; F43-W60 AromaticContact CD2-NE1 3.89Å; F43-W60 AromaticContact CE2-NE1 3.9Å
44L97.9Very high92.5Very high27 Ų2768.3 Ų68.314%0.14141%0.408CS..EExtended strand (participates in β ladder)trans-132.1157.4178-64.997.2000110.6V23 V27 S42 I59V23-L44 HydrophobicContact CG1-CB 4.08Å; V23-L44 HydrophobicContact CG1-CD1 3.74Å; V23-L44 HydrophobicContact CG1-CD2 4.17Å; V23-L44 HydrophobicContact CG1-CG 4.2Å; V27-L44 HydrophobicContact CB-CD2 4.24Å; V27-L44 HydrophobicContact CG1-CB 4.47Å; V27-L44 HydrophobicContact CG1-CD2 4.1Å; V27-L44 HydrophobicContact CG2-CB 4.08Å; V27-L44 HydrophobicContact CG2-CD2 4.35Å; S42-L44 WeakPolarHBondContact OG-CD1 3.45Å; L44-I59 PolarHBondContact N-O 3.34Å; L44-I59 WeakPolarHBondContact O-CA 3.38Å; L44-I59 WeakPolarHBondContact O-CB 3.18Å; L44-I59 PolarHBondContact O-N 2.82Å
45T98.3Very high92.7Very high63 Ų6362.1 Ų62.139%0.38737%0.374SS..EExtended strand (participates in β ladder)trans-132.6145.817568.10000111.6F43 F57 L58F43-T45 HydrophobicContact CE1-CG2 3.6Å; F43-T45 HydrophobicContact CZ-CG2 3.6Å; T45-F57 WeakPolarHBondContact CA-O 3.4Å; T45-F57 WeakPolarHBondContact CB-O 3.23Å; T45-L58 HydrophobicContact CG2-CD2 3.82Å
46K97.9Very high93Very high52 Ų5261.8 Ų61.823%0.22637%0.37CS..EExtended strand (participates in β ladder)trans-144.7135.7169178.9169.7173.2-169.50108.9F26 V27 V48 F57 E157F26-K46 HydrophobicContact CD1-CB 4.32Å; F26-K46 HydrophobicContact CD1-CD 3.95Å; F26-K46 HydrophobicContact CD2-CD 4.07Å; F26-K46 HydrophobicContact CE1-CB 3.83Å; F26-K46 HydrophobicContact CE1-CD 3.74Å; F26-K46 HydrophobicContact CE1-CG 4.11Å; F26-K46 HydrophobicContact CE2-CD 3.86Å; F26-K46 HydrophobicContact CG-CD 4.12Å; F26-K46 HydrophobicContact CZ-CB 4.36Å; F26-K46 HydrophobicContact CZ-CD 3.69Å; F26-K46 HydrophobicContact CZ-CG 4.16Å; F26-K46 WeakPolarHBondContact O-CD 3.5Å; F26-K46 WeakPolarHBondContact O-CE 2.91Å; F26-K46 PolarHBondContact O-NZ 3.5Å; V27-K46 HydrophobicContact CG2-CB 4.21Å; K46-V48 HydrophobicContact CD-CG1 4.26Å; K46-V48 HydrophobicContact CG-CG1 4.03Å; K46-F57 PolarHBondContact N-O 3.44Å; K46-F57 WeakPolarHBondContact O-CB 3.36Å; K46-F57 PolarHBondContact O-N 3.44Å; K46-E157 IonicContact NZ-OE1 3.71Å; K46-E157 IonicContact NZ-OE2 3.93Å; K46-E157 PolarHBondContact NZ-OE2 3.42Å
47T97.4Very high93.4Very high72 Ų7257.1 Ų57.144%0.44234%0.338SS..EExtended strand (participates in β ladder)trans-102.8129.7174.2-55.60000108.9L54 H55T47-L54 HydrophobicContact CG2-CB 3.95Å; T47-L54 HydrophobicContact CG2-CD2 4.48Å; T47-H55 WeakPolarHBondContact CA-O 3.31Å
48V94.6Very high93.8Very high8 Ų854.8 Ų54.85%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-128.3148.3177.1-57.20000110.5F26 K46 H55 F57F26-V48 HydrophobicContact CE2-CG1 4.29Å; F26-V48 HydrophobicContact CZ-CG1 3.95Å; K46-V48 HydrophobicContact CD-CG1 4.26Å; K46-V48 HydrophobicContact CG-CG1 4.03Å; V48-H55 HydrophobicContact CG2-CB 4.34Å; V48-H55 PolarHBondContact N-O 3.12Å; V48-H55 PolarHBondContact O-N 2.81Å; V48-F57 HydrophobicContact CG2-CD2 4.11Å; V48-F57 HydrophobicContact CG2-CE2 3.59Å
49P92.5Very high94.2Very high105 Ų10553.5 Ų53.568%0.68231%0.313SS*.EExtended strand (participates in β ladder)trans-70.4136.5172.629.3-33.4000111.1L54P49-L54 HydrophobicContact CB-CD2 4.32Å
50C89Confident94.7Very high31 Ų3150.4 Ų50.421%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-137.596.4173.6-174.90000109.7N52 E53 H55 S164C50-N52 PolarHBondContact O-N 3.28Å; C50-E53 PolarHBondContact N-O 2.79Å; C50-E53 PolarHBondContact O-N 2.85Å; C50-H55 HydrophobicContact CB-CB 4.41Å; C50-H55 VanDerWaalsContact SG-CE1 3.6Å; C50-S164 WeakPolarHBondContact CB-OG 3.49Å; C50-S164 PolarHBondContact SG-OG 2.84Å
51G86.4Confident95Very high69 Ų6950 Ų5071%0.71129%0.287SS*.THydrogen-bonded Turntrans61.1-120.5-174.100000111.2
52N87.4Confident95.1Very high150 Ų15048.7 Ų48.780%0.80228%0.276SS*.THydrogen-bonded Turntrans-945.2178.9-67.3-5.5000113.4M2 C50M2-N52 VanDerWaalsContact CE-C 3.5Å; M2-N52 WeakPolarHBondContact CE-O 3.41Å; C50-N52 PolarHBondContact O-N 3.28Å
53E90.9Very high94.9Very high69 Ų6946.5 Ų46.532%0.32226%0.261SS..EExtended strand (participates in β ladder)trans-115.8163-179.6-64.3-178.4-167.500111.5C50 H55C50-E53 PolarHBondContact N-O 2.79Å; C50-E53 PolarHBondContact O-N 2.85Å; E53-H55 IonicContact OE2-NE2 3.49Å; E53-H55 PolarHBondContact OE2-NE2 3.02Å
54L94.3Very high94.2Very high46 Ų4642.3 Ų42.324%0.24125%0.246CC..EExtended strand (participates in β ladder)trans-107.8121.2167.7-69.2179.9000108.7M2 A3 I4 R5 T47 P49M2-L54 HydrophobicContact CB-CD1 4.27Å; M2-L54 HydrophobicContact CB-CG 4.06Å; M2-L54 HydrophobicContact CE-CD2 4.19Å; M2-L54 HydrophobicContact CE-CG 4.3Å; M2-L54 HydrophobicContact SD-CD2 4.36Å; M2-L54 HydrophobicContact SD-CG 4.37Å; A3-L54 PolarHBondContact O-N 3.41Å; I4-L54 CarbonylContact C-O 3.6Å; I4-L54 WeakPolarHBondContact CA-O 3.46Å; I4-L54 HydrophobicContact CG1-CB 4.06Å; I4-L54 HydrophobicContact CG1-CD1 4.14Å; R5-L54 PolarHBondContact N-O 2.89Å; T47-L54 HydrophobicContact CG2-CB 3.95Å; T47-L54 HydrophobicContact CG2-CD2 4.48Å; P49-L54 HydrophobicContact CB-CD2 4.32Å
55H95.9Very high93.7Very high6 Ų643.7 Ų43.73%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-97.4112.9176.3-75.4-169.3000109.6R5 L7 T47 V48 C50 E53 F57 S164R5-H55 CarbonylContact O-C 3.57Å; R5-H55 WeakPolarHBondContact O-CA 3.46Å; L7-H55 HydrophobicContact CD1-CB 3.89Å; L7-H55 WeakPolarHBondContact CD1-ND1 3.29Å; T47-H55 WeakPolarHBondContact CA-O 3.31Å; V48-H55 HydrophobicContact CG2-CB 4.34Å; V48-H55 PolarHBondContact N-O 3.12Å; V48-H55 PolarHBondContact O-N 2.81Å; C50-H55 HydrophobicContact CB-CB 4.41Å; C50-H55 VanDerWaalsContact SG-CE1 3.6Å; E53-H55 IonicContact OE2-NE2 3.49Å; E53-H55 PolarHBondContact OE2-NE2 3.02Å; H55-F57 HydrophobicContact CB-CE2 4.39Å; H55-S164 PolarHBondContact CE1-O 3.44Å; H55-S164 PolarHBondContact CE1-OG 2.93Å; H55-S164 PolarHBondContact ND1-OG 3.06Å
56K97.6Very high92.8Very high59 Ų5949.3 Ų49.326%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-93.5103.4174.9-179.8179.3170.2-157.70109.1I4 R5 E6 L7 L58I4-K56 HydrophobicContact CG2-CB 3.92Å; R5-K56 PolarHBondContact O-N 3.35Å; E6-K56 CarbonylContact C-O 3.55Å; E6-K56 WeakPolarHBondContact CA-O 3.27Å; E6-K56 HydrophobicContact CG-CB 4.43Å; E6-K56 HydrophobicContact CG-CD 4.23Å; E6-K56 WeakPolarHBondContact OE1-CD 3.48Å; E6-K56 IonicContact OE1-NZ 2.74Å; E6-K56 PolarHBondContact OE1-NZ 3.37Å; L7-K56 PolarHBondContact N-O 2.96Å; K56-L58 HydrophobicContact CD-CD2 4.31Å; K56-L58 HydrophobicContact CG-CD2 4.12Å
57F98.4Very high92.2Very high0 Ų055.6 Ų55.60%030%0.296CS..EExtended strand (participates in β ladder)trans-71.5127.9174.1-73.3-84.2000110.5L7 V9 F26 T45 K46 V48 H55 I59 F160 I163L7-F57 HydrophobicContact CB-CD1 4.28Å; L7-F57 HydrophobicContact CB-CE1 4.45Å; L7-F57 HydrophobicContact CD1-CE1 4.09Å; L7-F57 HydrophobicContact CD1-CZ 4.15Å; L7-F57 WeakPolarHBondContact O-CA 3.38Å; V9-F57 HydrophobicContact CG2-CD1 3.66Å; V9-F57 HydrophobicContact CG2-CE1 3.98Å; F26-F57 HydrophobicContact CE1-CB 4.47Å; F26-F57 HydrophobicContact CE1-CD2 4.15Å; F26-F57 HydrophobicContact CE1-CG 4.33Å; F26-F57 HydrophobicContact CZ-CD2 4.04Å; F26-F57 HydrophobicContact CZ-CE2 4.29Å; T45-F57 WeakPolarHBondContact CA-O 3.4Å; T45-F57 WeakPolarHBondContact CB-O 3.23Å; K46-F57 PolarHBondContact N-O 3.44Å; K46-F57 WeakPolarHBondContact O-CB 3.36Å; K46-F57 PolarHBondContact O-N 3.44Å; V48-F57 HydrophobicContact CG2-CD2 4.11Å; V48-F57 HydrophobicContact CG2-CE2 3.59Å; H55-F57 HydrophobicContact CB-CE2 4.39Å; F57-I59 HydrophobicContact CB-CD1 4.03Å; F57-I59 HydrophobicContact CB-CG1 3.79Å; F57-F160 HydrophobicContact CD1-CD1 4.06Å; F57-F160 HydrophobicContact CE1-CB 4.49Å; F57-F160 HydrophobicContact CE1-CD1 4Å; F57-F160 HydrophobicContact CE2-CB 4.32Å; F57-F160 HydrophobicContact CG-CD1 4.49Å; F57-F160 HydrophobicContact CZ-CB 4.07Å; F57-F160 HydrophobicContact CZ-CD1 4.39Å; F57-F160 WeakPolarHBondContact CZ-O 3.39Å; F57-I163 HydrophobicContact CE1-CG2 4.2Å
58L98.4Very high91.7Very high30 Ų3054 Ų5416%0.15728%0.283CS..EExtended strand (participates in β ladder)trans-107.295.1170.7-49.9-179.3000107.3E6 L7 K8 V9 F43 T45 K56E6-L58 HydrophobicContact CB-CD1 4.05Å; E6-L58 HydrophobicContact CB-CG 4.37Å; L7-L58 PolarHBondContact O-N 2.74Å; K8-L58 WeakPolarHBondContact CA-O 3.35Å; V9-L58 PolarHBondContact N-O 2.85Å; F43-L58 HydrophobicContact CE2-CB 3.81Å; F43-L58 HydrophobicContact CZ-CB 3.98Å; F43-L58 HydrophobicContact CZ-CD2 4.12Å; T45-L58 HydrophobicContact CG2-CD2 3.82Å; K56-L58 HydrophobicContact CD-CD2 4.31Å; K56-L58 HydrophobicContact CG-CD2 4.12Å
59I98.6Very high91.4Very high0 Ų057.8 Ų57.80%030%0.3CS..EExtended strand (participates in β ladder)trans-99.8121.7-163.6-53.2170.8000110.4V9 L11 V23 F26 V27 F43 L44 F57 F160V9-I59 CarbonylContact O-C 3.52Å; V9-I59 WeakPolarHBondContact O-CA 3.49Å; L11-I59 HydrophobicContact CD1-CG2 3.41Å; L11-I59 VanDerWaalsContact CD1-CG2 3.41Å; V23-I59 HydrophobicContact CG1-CB 4.47Å; V23-I59 HydrophobicContact CG1-CD1 4.38Å; V23-I59 HydrophobicContact CG1-CG2 3.84Å; V23-I59 HydrophobicContact CG2-CG2 3.78Å; F26-I59 HydrophobicContact CD1-CD1 3.71Å; F26-I59 HydrophobicContact CE1-CD1 3.87Å; V27-I59 HydrophobicContact CG2-CD1 3.85Å; F43-I59 WeakPolarHBondContact CA-O 3.38Å; L44-I59 PolarHBondContact N-O 3.34Å; L44-I59 WeakPolarHBondContact O-CA 3.38Å; L44-I59 WeakPolarHBondContact O-CB 3.18Å; L44-I59 PolarHBondContact O-N 2.82Å; F57-I59 HydrophobicContact CB-CD1 4.03Å; F57-I59 HydrophobicContact CB-CG1 3.79Å; I59-F160 HydrophobicContact CD1-CE1 4.18Å
60W98.2Very high91.3Very high73 Ų7357.5 Ų57.528%0.27730%0.3SS..EExtended strand (participates in β ladder)trans-99.6102171.4-67.383.4000109.7V9 C10 L11 A41 F43 Y75V9-W60 PolarHBondContact O-N 3.28Å; C10-W60 WeakPolarHBondContact CA-O 3.38Å; C10-W60 HydrophobicContact CB-CB 4.1Å; L11-W60 PolarHBondContact N-O 3.47Å; A41-W60 HydrophobicContact CB-CE3 4.24Å; F43-W60 HydrophobicContact CD2-CD2 4.16Å; F43-W60 AromaticContact CD2-CE2 3.82Å; F43-W60 HydrophobicContact CD2-CG 4.47Å; F43-W60 HydrophobicContact CD2-CZ2 4.12Å; F43-W60 AromaticContact CD2-NE1 3.89Å; F43-W60 AromaticContact CE2-NE1 3.9Å; W60-Y75 HydrophobicContact CD2-CD1 4.2Å; W60-Y75 AromaticContact CE3-CD1 3.62Å; W60-Y75 HydrophobicContact CE3-CD1 3.62Å; W60-Y75 AromaticContact CE3-CE1 3.8Å; W60-Y75 HydrophobicContact CE3-CE1 3.8Å; W60-Y75 HydrophobicContact CZ3-CD1 4.18Å; W60-Y75 HydrophobicContact CZ3-CE1 4.04Å
61D97.3Very high91.4Very high5 Ų559 Ų593%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-81.9109.3168.8176.943.1000109.2K19 S20 V23 T38 A41 S42K19-D61 WeakPolarHBondContact CB-OD1 3.49Å; S20-D61 WeakPolarHBondContact CA-OD2 3.29Å; S20-D61 VanDerWaalsContact CB-OD2 3.22Å; S20-D61 WeakPolarHBondContact CB-OD2 3.43Å; S20-D61 PolarHBondContact N-OD1 3.41Å; S20-D61 PolarHBondContact OG-OD1 2.84Å; S20-D61 PolarHBondContact OG-OD2 2.71Å; V23-D61 HydrophobicContact CG2-CB 4.26Å; T38-D61 PolarHBondContact OG1-OD2 3.16Å; T38-D61 VanDerWaalsContact OG1-OD2 3.06Å; A41-D61 CarbonylContact C-O 3.56Å; A41-D61 WeakPolarHBondContact CA-O 3.38Å; A41-D61 WeakPolarHBondContact CB-O 3.46Å; S42-D61 PolarHBondContact N-O 3.13Å; S42-D61 PolarHBondContact O-N 3.05Å
62T95.1Very high91.6Very high4 Ų455.9 Ų55.93%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-95152.2-17472.80000112.2L11 L12 K19 G64 Y75L11-T62 WeakPolarHBondContact O-CB 3.46Å; L11-T62 VanDerWaalsContact O-CG2 3.26Å; L11-T62 WeakPolarHBondContact O-CG2 3.26Å; L11-T62 PolarHBondContact O-OG1 3.1Å; L12-T62 HydrophobicContact CD2-CG2 4.35Å; K19-T62 WeakPolarHBondContact CE-O 3.35Å; T62-G64 PolarHBondContact O-N 3.45Å; T62-Y75 HydrophobicContact CG2-CD1 4.29Å; T62-Y75 HydrophobicContact CG2-CD2 3.39Å; T62-Y75 HydrophobicContact CG2-CE2 4.04Å; T62-Y75 HydrophobicContact CG2-CG 3.55Å
63A90.4Very high91.9Very high7 Ų751.3 Ų51.36%0.05825%0.252CS..  trans-65.8132.2168.600000110T38 G40 Q65 F68T38-A63 WeakPolarHBondContact O-CB 3.33Å; G40-A63 WeakPolarHBondContact O-CB 3.46Å; G40-A63 PolarHBondContact O-N 2.91Å; A63-Q65 VanDerWaalsContact C-N 3.29Å; A63-F68 HydrophobicContact CB-CB 4.05Å; A63-F68 HydrophobicContact CB-CD2 3.49Å; A63-F68 VanDerWaalsContact CB-CD2 3.49Å; A63-F68 HydrophobicContact CB-CE2 4.26Å; A63-F68 HydrophobicContact CB-CG 4.03Å
64G81.8Confident92.1Very high12 Ų1253 Ų5312%0.12426%0.261CS..  trans-91.814.717400000113.6G13 T15 T62G13-G64 WeakPolarHBondContact O-CA 3.32Å; T15-G64 PolarHBondContact N-O 3.04Å; T15-G64 PolarHBondContact OG1-O 2.96Å; T62-G64 PolarHBondContact O-N 3.45Å
65Q86.8Confident92.1Very high56 Ų5651.6 Ų51.626%0.26225%0.253SS..SBendtrans-86.4134.4179.8-58.2177.428.600108.2T15 A63 R67 F68T15-Q65 HydrophobicContact CG2-CG 4.39Å; T15-Q65 WeakPolarHBondContact OG1-CA 3.18Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.34Å; T15-Q65 PolarHBondContact OG1-N 3.24Å; T15-Q65 VanDerWaalsContact OG1-N 3.07Å; A63-Q65 VanDerWaalsContact C-N 3.29Å; Q65-R67 HydrophobicContact CB-CG 3.99Å; Q65-R67 PolarHBondContact O-N 2.89Å; Q65-R67 VanDerWaalsContact O-N 3.08Å; Q65-F68 HydrophobicContact CB-CD2 3.97Å; Q65-F68 HydrophobicContact CB-CE2 4.44Å; Q65-F68 PolarHBondContact O-N 3.28Å
66E79.9Confident92.1Very high181 Ų18151.4 Ų51.485%0.84625%0.252SS*.G310 helixtrans-49-36.8178.664.6-146.4-165.700113.9F68 H69E66-F68 PolarHBondContact O-N 2.89Å; E66-F68 VanDerWaalsContact O-N 3.09Å; E66-H69 WeakPolarHBondContact O-CB 3.35Å; E66-H69 PolarHBondContact O-N 2.87Å
67R85.3Confident92Very high184 Ų18458.1 Ų58.169%0.69428%0.276SS*.G310 helixtrans-61.6-1917868-178.4-66.4174.20.8114.4Q65Q65-R67 HydrophobicContact CB-CG 3.99Å; Q65-R67 PolarHBondContact O-N 2.89Å; Q65-R67 VanDerWaalsContact O-N 3.08Å
68F87.6Confident91.8Very high39 Ų3961 Ų6117%0.17131%0.305CS..G310 helixtrans-106.21.5176.4-59.5-62.9000112.6I39 A63 Q65 E66 S70 L71I39-F68 HydrophobicContact CG2-CZ 3.91Å; A63-F68 HydrophobicContact CB-CB 4.05Å; A63-F68 HydrophobicContact CB-CD2 3.49Å; A63-F68 VanDerWaalsContact CB-CD2 3.49Å; A63-F68 HydrophobicContact CB-CE2 4.26Å; A63-F68 HydrophobicContact CB-CG 4.03Å; Q65-F68 HydrophobicContact CB-CD2 3.97Å; Q65-F68 HydrophobicContact CB-CE2 4.44Å; Q65-F68 PolarHBondContact O-N 3.28Å; E66-F68 PolarHBondContact O-N 2.89Å; E66-F68 VanDerWaalsContact O-N 3.09Å; F68-S70 VanDerWaalsContact C-N 3.27Å; F68-S70 PolarHBondContact O-N 3.48Å; F68-L71 HydrophobicContact CB-CD1 4.48Å; F68-L71 HydrophobicContact CD1-CD1 4.11Å; F68-L71 VanDerWaalsContact O-CB 3.3Å; F68-L71 WeakPolarHBondContact O-CB 3.11Å; F68-L71 PolarHBondContact O-N 3.25Å
69H88.2Confident91.7Very high88 Ų8859.8 Ų59.841%0.40730%0.299SS..G310 helixtrans-59.1-35.7-176.4-179.273.9000112.8E66 L71 A72 W100 E103E66-H69 WeakPolarHBondContact O-CB 3.35Å; E66-H69 PolarHBondContact O-N 2.87Å; H69-L71 PolarHBondContact O-N 3.4Å; H69-A72 VanDerWaalsContact O-CB 3.27Å; H69-A72 WeakPolarHBondContact O-CB 3.42Å; H69-A72 PolarHBondContact O-N 3.45Å; H69-W100 AromaticContact CE1-CH2 3.68Å; H69-W100 AromaticContact CE1-CZ3 3.62Å; H69-W100 AromaticContact ND1-CH2 3.03Å; H69-W100 WeakPolarHBondContact ND1-CH2 3.46Å; H69-W100 AromaticContact ND1-CZ2 3.52Å; H69-W100 AromaticContact ND1-CZ3 3.45Å; H69-W100 WeakPolarHBondContact ND1-CZ3 3.46Å; H69-E103 IonicContact CE1-OE2 3.9Å; H69-E103 PolarHBondContact CE1-OE2 2.81Å; H69-E103 IonicContact ND1-OE2 3.79Å; H69-E103 IonicContact NE2-OE2 2.91Å; H69-E103 PolarHBondContact NE2-OE2 2.75Å
70S89.8Confident91.6Very high99 Ų9961.3 Ų61.369%0.69231%0.311SS*.G310 helixtrans-62.9-13.2175.458.60000114.4F68F68-S70 VanDerWaalsContact C-N 3.27Å; F68-S70 PolarHBondContact O-N 3.48Å
71L91.9Very high91.6Very high61 Ų6157.8 Ų57.832%0.31930%0.298SS..G310 helixtrans-90.7-6.8173.5-54.3178.8000112.6F68 H69 P73 M74 Y75F68-L71 HydrophobicContact CB-CD1 4.48Å; F68-L71 HydrophobicContact CD1-CD1 4.11Å; F68-L71 VanDerWaalsContact O-CB 3.3Å; F68-L71 WeakPolarHBondContact O-CB 3.11Å; F68-L71 PolarHBondContact O-N 3.25Å; H69-L71 PolarHBondContact O-N 3.4Å; L71-P73 VanDerWaalsContact C-CD 3.45Å; L71-P73 VanDerWaalsContact C-N 3.33Å; L71-M74 HydrophobicContact CB-CG 4.22Å; L71-M74 HydrophobicContact CB-SD 4.03Å; L71-M74 HydrophobicContact CD2-SD 4.05Å; L71-M74 WeakPolarHBondContact O-CG 3.46Å; L71-M74 PolarHBondContact O-N 2.88Å; L71-Y75 HydrophobicContact CB-CE2 3.82Å; L71-Y75 WeakPolarHBondContact O-CD2 3.46Å; L71-Y75 WeakPolarHBondContact O-CE2 3.28Å
72A90.8Very high91.7Very high4 Ų457.6 Ų57.63%0.03330%0.297CS..Hα-helixtrans-55-41.8178.500000113.8L12 H69 M74 Y75 Y76 W100L12-A72 HydrophobicContact CD2-CB 4.49Å; H69-A72 VanDerWaalsContact O-CB 3.27Å; H69-A72 WeakPolarHBondContact O-CB 3.42Å; H69-A72 PolarHBondContact O-N 3.45Å; A72-M74 VanDerWaalsContact C-N 3.28Å; A72-M74 PolarHBondContact O-N 3.36Å; A72-Y75 PolarHBondContact O-N 2.8Å; A72-Y76 VanDerWaalsContact C-CE1 3.41Å; A72-Y76 HydrophobicContact CB-CD1 4.45Å; A72-Y76 HydrophobicContact CB-CE1 3.93Å; A72-Y76 WeakPolarHBondContact O-CD1 3.38Å; A72-Y76 WeakPolarHBondContact O-CE1 3.48Å; A72-Y76 PolarHBondContact O-N 2.81Å; A72-W100 HydrophobicContact CB-CH2 3.87Å; A72-W100 HydrophobicContact CB-CZ3 3.45Å; A72-W100 VanDerWaalsContact CB-CZ3 3.45Å
73P93.8Very high91.8Very high54 Ų5457.4 Ų57.435%0.35130%0.296SS..Hα-helixtrans-56.3-35.2178.7-23.630.9000115.6L71 Y75 Y76 R77L71-P73 VanDerWaalsContact C-CD 3.45Å; L71-P73 VanDerWaalsContact C-N 3.33Å; P73-Y75 VanDerWaalsContact C-N 3.26Å; P73-Y75 PolarHBondContact O-N 3.43Å; P73-Y76 HydrophobicContact CB-CE2 4.11Å; P73-Y76 WeakPolarHBondContact CG-OH 3.47Å; P73-R77 WeakPolarHBondContact O-CB 3.45Å; P73-R77 PolarHBondContact O-N 2.81Å
74M94.3Very high92.2Very high104 Ų10457 Ų5751%0.51229%0.293SS..Hα-helixtrans-69.2-26.1177.854.7171.5-62.100112.6L71 A72L71-M74 HydrophobicContact CB-CG 4.22Å; L71-M74 HydrophobicContact CB-SD 4.03Å; L71-M74 HydrophobicContact CD2-SD 4.05Å; L71-M74 WeakPolarHBondContact O-CG 3.46Å; L71-M74 PolarHBondContact O-N 2.88Å; A72-M74 VanDerWaalsContact C-N 3.28Å; A72-M74 PolarHBondContact O-N 3.36Å
75Y94.5Very high93Very high17 Ų1756.5 Ų56.57%0.06729%0.287CS..Hα-helixtrans-82.5-41.5-177.3-59.1-53.3000112.8K8 A41 W60 T62 L71 A72 P73 S79K8-Y75 WeakPolarHBondContact CE-O 3.44Å; K8-Y75 PolarHBondContact NZ-O 2.82Å; A41-Y75 HydrophobicContact CB-CD1 4.09Å; A41-Y75 HydrophobicContact CB-CE1 3.34Å; A41-Y75 HydrophobicContact CB-CE2 4.12Å; A41-Y75 WeakPolarHBondContact CB-OH 3.37Å; W60-Y75 HydrophobicContact CD2-CD1 4.2Å; W60-Y75 AromaticContact CE3-CD1 3.62Å; W60-Y75 HydrophobicContact CE3-CD1 3.62Å; W60-Y75 AromaticContact CE3-CE1 3.8Å; W60-Y75 HydrophobicContact CE3-CE1 3.8Å; W60-Y75 HydrophobicContact CZ3-CD1 4.18Å; W60-Y75 HydrophobicContact CZ3-CE1 4.04Å; T62-Y75 HydrophobicContact CG2-CD1 4.29Å; T62-Y75 HydrophobicContact CG2-CD2 3.39Å; T62-Y75 HydrophobicContact CG2-CE2 4.04Å; T62-Y75 HydrophobicContact CG2-CG 3.55Å; L71-Y75 HydrophobicContact CB-CE2 3.82Å; L71-Y75 WeakPolarHBondContact O-CD2 3.46Å; L71-Y75 WeakPolarHBondContact O-CE2 3.28Å; A72-Y75 PolarHBondContact O-N 2.8Å; P73-Y75 VanDerWaalsContact C-N 3.26Å; P73-Y75 PolarHBondContact O-N 3.43Å; Y75-S79 PolarHBondContact O-OG 3.37Å
76Y95.5Very high93.6Very high3 Ų353.8 Ų53.81%0.01228%0.275CS..Hα-helixtrans-83.8-13.3177.354.4-113000114.4L12 A72 P73 G78 S79 E103 L104 H107 P109L12-Y76 HydrophobicContact CD1-CD1 4.14Å; A72-Y76 VanDerWaalsContact C-CE1 3.41Å; A72-Y76 HydrophobicContact CB-CD1 4.45Å; A72-Y76 HydrophobicContact CB-CE1 3.93Å; A72-Y76 WeakPolarHBondContact O-CD1 3.38Å; A72-Y76 WeakPolarHBondContact O-CE1 3.48Å; A72-Y76 PolarHBondContact O-N 2.81Å; P73-Y76 HydrophobicContact CB-CE2 4.11Å; P73-Y76 WeakPolarHBondContact CG-OH 3.47Å; Y76-G78 PolarHBondContact O-N 2.89Å; Y76-G78 VanDerWaalsContact O-N 3.13Å; Y76-S79 WeakPolarHBondContact O-CB 3.15Å; Y76-S79 PolarHBondContact O-N 2.84Å; Y76-E103 WeakPolarHBondContact CE1-OE1 3.41Å; Y76-E103 PolarHBondContact OH-OE1 3.06Å; Y76-L104 HydrophobicContact CD1-CD1 3.76Å; Y76-L104 HydrophobicContact CD2-CD1 3.99Å; Y76-L104 HydrophobicContact CE1-CD1 4.36Å; Y76-L104 HydrophobicContact CG-CD1 3.53Å; Y76-H107 HydrophobicContact CE2-CB 4.06Å; Y76-H107 WeakPolarHBondContact CE2-O 3.22Å; Y76-H107 WeakPolarHBondContact OH-CB 3.38Å; Y76-P109 WeakPolarHBondContact O-CD 3.38Å; Y76-P109 WeakPolarHBondContact O-CG 3.26Å
77R95.1Very high94.5Very high200 Ų20045.2 Ų45.276%0.75524%0.235SC*.THydrogen-bonded Turntrans-57.4119.3173-177.8177.1-177.5134.21.8111.2K8 P73 S79K8-R77 PolarHBondContact NZ-O 2.95Å; P73-R77 WeakPolarHBondContact O-CB 3.45Å; P73-R77 PolarHBondContact O-N 2.81Å; R77-S79 PolarHBondContact O-N 2.96Å
78G93.8Very high95.2Very high60 Ų6036.5 Ų36.562%0.61920%0.202SC*.THydrogen-bonded Turntrans69.113.7-179.300000114.4Y76Y76-G78 PolarHBondContact O-N 2.89Å; Y76-G78 VanDerWaalsContact O-N 3.13Å
79S97Very high95.7Very high5 Ų535.4 Ų35.44%0.03520%0.198CC..  trans-73.8135.9170.4-69.60000110.2K8 Y75 Y76 R77 A81K8-S79 WeakPolarHBondContact CE-OG 3.37Å; K8-S79 CarbonylContact O-C 3.46Å; K8-S79 WeakPolarHBondContact O-CA 3.34Å; Y75-S79 PolarHBondContact O-OG 3.37Å; Y76-S79 WeakPolarHBondContact O-CB 3.15Å; Y76-S79 PolarHBondContact O-N 2.84Å; R77-S79 PolarHBondContact O-N 2.96Å; S79-A81 VanDerWaalsContact C-N 3.33Å
80A96.9Very high96.2Very high31 Ų3136.3 Ų36.326%0.25620%0.201SC..SBendtrans-75.6-26.6171.300000111.6K8 V113 I167K8-A80 PolarHBondContact O-N 3.01Å; A80-V113 PolarHBondContact O-N 3.44Å; A80-I167 HydrophobicContact CB-CD1 3.86Å; A80-I167 HydrophobicContact CB-CG1 4.37Å; A80-I167 HydrophobicContact CB-CG2 4.46Å
81A98.2Very high96.6Very high0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-146.5154.6174.400000112.9K8 V9 C10 S79 V113 I163 I167K8-A81 PolarHBondContact O-N 3.03Å; V9-A81 WeakPolarHBondContact CA-O 3.47Å; V9-A81 HydrophobicContact CG1-CB 4.44Å; V9-A81 HydrophobicContact CG2-CB 4.14Å; C10-A81 PolarHBondContact N-O 2.97Å; S79-A81 VanDerWaalsContact C-N 3.33Å; A81-V113 CarbonylContact C-O 3.56Å; A81-V113 WeakPolarHBondContact CA-O 3.37Å; A81-V113 HydrophobicContact CB-CB 3.92Å; A81-V113 HydrophobicContact CB-CG1 4.37Å; A81-V113 WeakPolarHBondContact CB-O 3.14Å; A81-I163 HydrophobicContact CB-CG2 3.47Å; A81-I163 VanDerWaalsContact CB-CG2 3.47Å; A81-I167 HydrophobicContact CB-CD1 4.37Å
82A98.4Very high96.9Very high0 Ų037.9 Ų37.90%020%0.202CC..EExtended strand (participates in β ladder)trans-121.7131.3167.100000110C10 L104 I112 V113 A115C10-A82 WeakPolarHBondContact O-CA 3.39Å; A82-L104 HydrophobicContact CB-CD1 4.41Å; A82-L104 HydrophobicContact CB-CD2 3.46Å; A82-L104 VanDerWaalsContact CB-CD2 3.46Å; A82-I112 HydrophobicContact CB-CD1 3.75Å; A82-I112 HydrophobicContact CB-CG1 4.44Å; A82-V113 PolarHBondContact N-O 2.88Å; A82-A115 PolarHBondContact O-N 2.82Å
83V98.8Very high97.3Very high0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-102113.5170.5-177.80000108.1V9 C10 L11 L12 V85 A115 A117 L159 I163V9-V83 HydrophobicContact CG1-CG2 3.97Å; C10-V83 PolarHBondContact O-N 2.9Å; L11-V83 CarbonylContact C-O 3.54Å; L11-V83 VanDerWaalsContact CA-O 3.28Å; L11-V83 WeakPolarHBondContact CA-O 3.35Å; L11-V83 HydrophobicContact CG-CB 4.17Å; L12-V83 PolarHBondContact N-O 3.03Å; V83-V85 HydrophobicContact CG1-CG2 3.86Å; V83-A115 CarbonylContact C-O 3.46Å; V83-A115 WeakPolarHBondContact CA-O 3.36Å; V83-A115 HydrophobicContact CG2-CB 4.38Å; V83-A117 HydrophobicContact CG1-CB 4Å; V83-L159 HydrophobicContact CG1-CD1 4.39Å; V83-L159 HydrophobicContact CG1-CD2 3.92Å; V83-I163 HydrophobicContact CG2-CD1 3.48Å; V83-I163 VanDerWaalsContact CG2-CD1 3.48Å
84I98.6Very high97.5Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-101.7114.6178-45.6174.8000107.8L12 L97 W100 V101 L104 V114 A115 I116 A117L12-I84 HydrophobicContact CB-CG1 4.41Å; L12-I84 HydrophobicContact CB-CG2 4.46Å; L12-I84 WeakPolarHBondContact O-CA 3.36Å; I84-L97 HydrophobicContact CB-CD1 4.16Å; I84-L97 HydrophobicContact CB-CG 4.29Å; I84-L97 HydrophobicContact CG2-CB 4.24Å; I84-L97 HydrophobicContact CG2-CD1 3.79Å; I84-L97 HydrophobicContact CG2-CG 3.58Å; I84-L97 WeakPolarHBondContact O-CD1 3.14Å; I84-W100 HydrophobicContact CD1-CB 4.45Å; I84-W100 HydrophobicContact CG2-CB 3.75Å; I84-W100 HydrophobicContact CG2-CG 4.34Å; I84-V101 HydrophobicContact CD1-CB 4.34Å; I84-V101 HydrophobicContact CD1-CG2 3.5Å; I84-L104 HydrophobicContact CD1-CD2 4.19Å; I84-V114 HydrophobicContact CD1-CG1 4.03Å; I84-A115 PolarHBondContact N-O 3.16Å; I84-I116 WeakPolarHBondContact O-CA 3.16Å; I84-A117 PolarHBondContact O-N 3.01Å
85V98.9Very high97.7Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-103.7135.8-170.4-170.80000109.9L11 L12 V17 K19 I22 V83 A117 N119L11-V85 HydrophobicContact CD2-CG2 4.4Å; L12-V85 PolarHBondContact O-N 3.48Å; V17-V85 HydrophobicContact CB-CG1 4.21Å; V17-V85 HydrophobicContact CG2-CB 3.79Å; V17-V85 HydrophobicContact CG2-CG1 3.77Å; K19-V85 HydrophobicContact CG-CB 3.96Å; K19-V85 HydrophobicContact CG-CG2 3.89Å; I22-V85 HydrophobicContact CD1-CG1 3.81Å; I22-V85 HydrophobicContact CD1-CG2 4.09Å; V83-V85 HydrophobicContact CG1-CG2 3.86Å; V85-A117 WeakPolarHBondContact CA-O 2.83Å; V85-A117 HydrophobicContact CG2-CB 4.28Å; V85-N119 HydrophobicContact CG1-CB 3.83Å
86Y98.9Very high97.8Very high0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-126.2164.4166.675.2-80.2000110.3I88 F94 L97 I116 A117 N119 V129 A134 F145Y86-I88 HydrophobicContact CE2-CB 4.48Å; Y86-I88 HydrophobicContact CE2-CG2 3.9Å; Y86-F94 HydrophobicContact CD1-CD2 4.03Å; Y86-F94 HydrophobicContact CD2-CB 3.94Å; Y86-F94 HydrophobicContact CD2-CD2 4.02Å; Y86-F94 HydrophobicContact CD2-CG 4.38Å; Y86-F94 HydrophobicContact CE1-CD2 4.12Å; Y86-F94 HydrophobicContact CE1-CE2 4.44Å; Y86-F94 HydrophobicContact CE2-CD2 4.15Å; Y86-F94 HydrophobicContact CG-CB 4.3Å; Y86-F94 AromaticContact CG-CD2 3.96Å; Y86-F94 HydrophobicContact CG-CD2 3.96Å; Y86-L97 HydrophobicContact CD1-CD1 3.59Å; Y86-L97 HydrophobicContact CG-CD1 4.16Å; Y86-I116 HydrophobicContact CD1-CG2 4.09Å; Y86-I116 HydrophobicContact CE1-CG2 3.81Å; Y86-A117 WeakPolarHBondContact CD1-O 3.32Å; Y86-A117 PolarHBondContact N-O 3.26Å; Y86-N119 PolarHBondContact O-N 3.05Å; Y86-V129 HydrophobicContact CD2-CG1 4.48Å; Y86-V129 HydrophobicContact CD2-CG2 4.24Å; Y86-V129 HydrophobicContact CE2-CB 3.87Å; Y86-V129 HydrophobicContact CE2-CG1 3.7Å; Y86-V129 HydrophobicContact CE2-CG2 4.07Å; Y86-A134 HydrophobicContact CE1-CB 4.23Å; Y86-A134 WeakPolarHBondContact OH-CB 3.42Å; Y86-F145 HydrophobicContact CE1-CE2 4.37Å
87D98.8Very high97.9Very high1 Ų134.6 Ų34.61%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-98.4121.5175.3-178.4-7.4000108.9V17 T89 K90 S93 K120V17-D87 HydrophobicContact CB-CB 4.42Å; V17-D87 HydrophobicContact CG1-CB 4.37Å; D87-T89 PolarHBondContact O-N 3.33Å; D87-T89 VanDerWaalsContact O-N 3.1Å; D87-T89 PolarHBondContact OD1-N 3.01Å; D87-T89 PolarHBondContact OD1-OG1 3.27Å; D87-K90 HydrophobicContact CB-CB 4.16Å; D87-K90 HydrophobicContact CB-CD 4.48Å; D87-K90 HydrophobicContact CB-CG 4.32Å; D87-K90 PolarHBondContact O-N 3.34Å; D87-S93 PolarHBondContact N-OG 3.41Å; D87-S93 PolarHBondContact O-OG 2.58Å; D87-K120 WeakPolarHBondContact OD1-CD 3.39Å; D87-K120 WeakPolarHBondContact OD2-CD 3.28Å; D87-K120 VanDerWaalsContact OD2-CE 3.25Å; D87-K120 WeakPolarHBondContact OD2-CE 3.49Å; D87-K120 IonicContact OD2-NZ 2.75Å; D87-K120 PolarHBondContact OD2-NZ 2.78Å
88I98.8Very high98Very high0 Ų027.9 Ų27.90%016%0.16CC..THydrogen-bonded Turntrans-63.3-19.2-177.966.3149.5000113.1Y86 K90 N119 K120 R127 E128 V129Y86-I88 HydrophobicContact CE2-CB 4.48Å; Y86-I88 HydrophobicContact CE2-CG2 3.9Å; I88-K90 VanDerWaalsContact C-N 3.34Å; I88-N119 WeakPolarHBondContact CG1-O 3.32Å; I88-N119 WeakPolarHBondContact CG2-O 3.37Å; I88-N119 PolarHBondContact N-O 3.38Å; I88-K120 WeakPolarHBondContact CD1-O 3.19Å; I88-K120 WeakPolarHBondContact CG1-O 3.13Å; I88-R127 HydrophobicContact CD1-CB 4.46Å; I88-E128 PolarHBondContact O-N 3.36Å; I88-V129 PolarHBondContact O-N 2.78Å
89T98.8Very high98.1Very high17 Ų1731.8 Ų31.810%0.10416%0.16CC..THydrogen-bonded Turntrans-93.68.9179.285.30000112.2D87 L123 I126 E128D87-T89 PolarHBondContact O-N 3.33Å; D87-T89 VanDerWaalsContact O-N 3.1Å; D87-T89 PolarHBondContact OD1-N 3.01Å; D87-T89 PolarHBondContact OD1-OG1 3.27Å; T89-L123 HydrophobicContact CG2-CB 3.61Å; T89-L123 HydrophobicContact CG2-CD1 4.14Å; T89-I126 HydrophobicContact CG2-CD1 3.99Å; T89-I126 HydrophobicContact CG2-CG1 3.81Å; T89-E128 WeakPolarHBondContact O-CG 3.47Å
90K98.6Very high98.1Very high107 Ų10732.2 Ų32.247%0.46516%0.16SC..  trans-140.3102-179.3-62.9-171.8178.5-170.40111.5D87 I88 D92 S93 E128D87-K90 HydrophobicContact CB-CB 4.16Å; D87-K90 HydrophobicContact CB-CD 4.48Å; D87-K90 HydrophobicContact CB-CG 4.32Å; D87-K90 PolarHBondContact O-N 3.34Å; I88-K90 VanDerWaalsContact C-N 3.34Å; K90-D92 VanDerWaalsContact C-N 3.28Å; K90-D92 PolarHBondContact O-N 2.86Å; K90-S93 WeakPolarHBondContact O-CB 3.42Å; K90-S93 PolarHBondContact O-N 2.87Å; K90-S93 VanDerWaalsContact O-N 3.11Å; K90-S93 PolarHBondContact O-OG 2.99Å; K90-E128 VanDerWaalsContact CA-OE2 3.32Å; K90-E128 WeakPolarHBondContact CA-OE2 3.3Å
91L98.3Very high98.1Very high65 Ų6531.1 Ų31.134%0.3415%0.151SC..Hα-helixtrans-57.1-40.3180-178.761.7000112.9S93 F94 Q95 E128 V129L91-S93 PolarHBondContact O-N 3.45Å; L91-F94 WeakPolarHBondContact O-CB 3.47Å; L91-F94 PolarHBondContact O-N 3.1Å; L91-Q95 PolarHBondContact O-N 3.25Å; L91-Q95 VanDerWaalsContact O-N 3.11Å; L91-E128 HydrophobicContact CB-CB 4.28Å; L91-E128 PolarHBondContact N-OE2 3.31Å; L91-V129 HydrophobicContact CD1-CG2 4.19Å
92D98.2Very high98Very high127 Ų12737.1 Ų37.168%0.67918%0.177SC*.Hα-helixtrans-58.5-36.3179.6-71.5-21.8000112.3K90 F94 Q95 T96K90-D92 VanDerWaalsContact C-N 3.28Å; K90-D92 PolarHBondContact O-N 2.86Å; D92-F94 VanDerWaalsContact C-N 3.26Å; D92-F94 PolarHBondContact O-N 3.24Å; D92-Q95 PolarHBondContact O-N 3.25Å; D92-Q95 VanDerWaalsContact O-N 3.12Å; D92-T96 PolarHBondContact O-N 3.35Å; D92-T96 PolarHBondContact O-OG1 2.92Å
93S98.5Very high97.9Very high7 Ų738.3 Ų38.35%0.04918%0.182CC..Hα-helixtrans-65.1-32.2177.977.20000112.2D87 K90 L91 L97D87-S93 PolarHBondContact N-OG 3.41Å; D87-S93 PolarHBondContact O-OG 2.58Å; K90-S93 WeakPolarHBondContact O-CB 3.42Å; K90-S93 PolarHBondContact O-N 2.87Å; K90-S93 VanDerWaalsContact O-N 3.11Å; K90-S93 PolarHBondContact O-OG 2.99Å; L91-S93 PolarHBondContact O-N 3.45Å; S93-L97 WeakPolarHBondContact O-CB 3.33Å; S93-L97 PolarHBondContact O-N 3.49Å
94F98.7Very high97.7Very high0 Ų038.5 Ų38.50%018%0.183CC..Hα-helixtrans-74-34.4174.2-176-116000111.8Y86 L91 D92 L97 K98 V129 E133 A134 F137Y86-F94 HydrophobicContact CD1-CD2 4.03Å; Y86-F94 HydrophobicContact CD2-CB 3.94Å; Y86-F94 HydrophobicContact CD2-CD2 4.02Å; Y86-F94 HydrophobicContact CD2-CG 4.38Å; Y86-F94 HydrophobicContact CE1-CD2 4.12Å; Y86-F94 HydrophobicContact CE1-CE2 4.44Å; Y86-F94 HydrophobicContact CE2-CD2 4.15Å; Y86-F94 HydrophobicContact CG-CB 4.3Å; Y86-F94 AromaticContact CG-CD2 3.96Å; Y86-F94 HydrophobicContact CG-CD2 3.96Å; L91-F94 WeakPolarHBondContact O-CB 3.47Å; L91-F94 PolarHBondContact O-N 3.1Å; D92-F94 VanDerWaalsContact C-N 3.26Å; D92-F94 PolarHBondContact O-N 3.24Å; F94-L97 HydrophobicContact CD2-CD2 4.28Å; F94-L97 HydrophobicContact CE2-CD2 4.16Å; F94-L97 WeakPolarHBondContact O-CB 3.45Å; F94-L97 PolarHBondContact O-N 3.03Å; F94-K98 PolarHBondContact O-N 2.95Å; F94-V129 HydrophobicContact CB-CG1 4.22Å; F94-V129 HydrophobicContact CB-CG2 3.82Å; F94-V129 HydrophobicContact CD1-CG1 3.98Å; F94-V129 HydrophobicContact CD2-CG1 4.29Å; F94-V129 HydrophobicContact CE1-CG1 4.44Å; F94-V129 HydrophobicContact CG-CG1 3.91Å; F94-V129 HydrophobicContact CG-CG2 4.41Å; F94-E133 HydrophobicContact CE1-CG 4.06Å; F94-E133 WeakPolarHBondContact CE1-OE1 3.46Å; F94-A134 HydrophobicContact CE2-CB 3.81Å; F94-A134 HydrophobicContact CZ-CB 4.04Å; F94-F137 HydrophobicContact CE2-CD1 4.22Å; F94-F137 HydrophobicContact CZ-CB 4.02Å; F94-F137 HydrophobicContact CZ-CD1 4.08Å; F94-F137 HydrophobicContact CZ-CG 4.21Å
95Q98.2Very high97.5Very high73 Ų7344.6 Ų44.634%0.34121%0.21SC..Hα-helixtrans-67.1-40.4172.8-57.7-54.5-23.600111.6L91 D92 L97 K98L91-Q95 PolarHBondContact O-N 3.25Å; L91-Q95 VanDerWaalsContact O-N 3.11Å; D92-Q95 PolarHBondContact O-N 3.25Å; D92-Q95 VanDerWaalsContact O-N 3.12Å; Q95-L97 VanDerWaalsContact C-N 3.35Å; Q95-K98 PolarHBondContact O-N 2.61Å
96T96.3Very high97.3Very high32 Ų3250 Ų5020%0.19624%0.235CC..Hα-helixtrans-68.2-35174.6-48.30000112D14 D92 K98 K99 W100D14-T96 WeakPolarHBondContact OD1-CG2 3.49Å; D14-T96 WeakPolarHBondContact OD2-CB 3.34Å; D14-T96 PolarHBondContact OD2-OG1 3.18Å; D92-T96 PolarHBondContact O-N 3.35Å; D92-T96 PolarHBondContact O-OG1 2.92Å; T96-K98 PolarHBondContact O-N 3.3Å; T96-K99 WeakPolarHBondContact O-CA 3.23Å; T96-K99 VanDerWaalsContact O-CB 3.3Å; T96-K99 WeakPolarHBondContact O-CB 3.49Å; T96-K99 PolarHBondContact O-N 3.31Å; T96-W100 PolarHBondContact O-N 2.89Å
97L97.8Very high97.1Very high1 Ų155.8 Ų55.81%0.00526%0.262CS..Hα-helixtrans-53.5-41.1171.4173.4148.6000112.2I84 Y86 S93 F94 Q95 K99 W100 V101 I116 F137I84-L97 HydrophobicContact CB-CD1 4.16Å; I84-L97 HydrophobicContact CB-CG 4.29Å; I84-L97 HydrophobicContact CG2-CB 4.24Å; I84-L97 HydrophobicContact CG2-CD1 3.79Å; I84-L97 HydrophobicContact CG2-CG 3.58Å; I84-L97 WeakPolarHBondContact O-CD1 3.14Å; Y86-L97 HydrophobicContact CD1-CD1 3.59Å; Y86-L97 HydrophobicContact CG-CD1 4.16Å; S93-L97 WeakPolarHBondContact O-CB 3.33Å; S93-L97 PolarHBondContact O-N 3.49Å; F94-L97 HydrophobicContact CD2-CD2 4.28Å; F94-L97 HydrophobicContact CE2-CD2 4.16Å; F94-L97 WeakPolarHBondContact O-CB 3.45Å; F94-L97 PolarHBondContact O-N 3.03Å; Q95-L97 VanDerWaalsContact C-N 3.35Å; L97-K99 PolarHBondContact O-N 3.21Å; L97-W100 WeakPolarHBondContact O-CB 3.39Å; L97-W100 PolarHBondContact O-N 2.84Å; L97-W100 VanDerWaalsContact O-N 3.16Å; L97-V101 HydrophobicContact CD2-CG2 4.13Å; L97-V101 WeakPolarHBondContact O-CG2 3.41Å; L97-V101 PolarHBondContact O-N 3.46Å; L97-I116 HydrophobicContact CD1-CG1 4.39Å; L97-I116 HydrophobicContact CD1-CG2 3.91Å; L97-I116 HydrophobicContact CD2-CD1 3.99Å; L97-I116 HydrophobicContact CD2-CG1 4.33Å; L97-F137 HydrophobicContact CD2-CD1 4.17Å; L97-F137 HydrophobicContact CD2-CE1 3.64Å
98K98Very high96.9Very high60 Ų6056.6 Ų56.626%0.26127%0.271SS..Hα-helixtrans-62.4-33.1177-62.5176.1-174.1168.70112F94 Q95 T96 K102 E133 F137F94-K98 PolarHBondContact O-N 2.95Å; Q95-K98 PolarHBondContact O-N 2.61Å; T96-K98 PolarHBondContact O-N 3.3Å; K98-K102 PolarHBondContact O-N 3.26Å; K98-E133 IonicContact NZ-OE1 3.59Å; K98-F137 HydrophobicContact CB-CZ 4.17Å; K98-F137 HydrophobicContact CD-CE2 4.4Å; K98-F137 HydrophobicContact CG-CD1 4.49Å; K98-F137 HydrophobicContact CG-CE1 3.95Å; K98-F137 HydrophobicContact CG-CE2 3.99Å; K98-F137 HydrophobicContact CG-CZ 3.68Å
99K96.6Very high96.7Very high142 Ų14258.6 Ų58.662%0.61728%0.284SS*.Hα-helixtrans-68.9-43.6173.7-56.4176.2-174.5168.40111.2T96 L97 V101 K102 E103T96-K99 WeakPolarHBondContact O-CA 3.23Å; T96-K99 VanDerWaalsContact O-CB 3.3Å; T96-K99 WeakPolarHBondContact O-CB 3.49Å; T96-K99 PolarHBondContact O-N 3.31Å; L97-K99 PolarHBondContact O-N 3.21Å; K99-V101 VanDerWaalsContact C-N 3.33Å; K99-V101 PolarHBondContact O-N 2.96Å; K99-K102 WeakPolarHBondContact O-CB 3.43Å; K99-K102 PolarHBondContact O-N 2.88Å; K99-K102 VanDerWaalsContact O-N 3.16Å; K99-E103 PolarHBondContact O-N 2.87Å
100W96.4Very high96.3Very high13 Ų1367 Ų675%0.04932%0.322CS..Hα-helixtrans-59.1-42.3173.8-76.1114.6000112.4L12 H69 A72 I84 T96 L97 L104L12-W100 HydrophobicContact CB-CD2 4.27Å; L12-W100 HydrophobicContact CB-CE3 4.29Å; L12-W100 HydrophobicContact CD1-CE3 4.28Å; L12-W100 HydrophobicContact CD2-CE3 4.46Å; L12-W100 HydrophobicContact CD2-CZ3 4.24Å; H69-W100 AromaticContact CE1-CH2 3.68Å; H69-W100 AromaticContact CE1-CZ3 3.62Å; H69-W100 AromaticContact ND1-CH2 3.03Å; H69-W100 WeakPolarHBondContact ND1-CH2 3.46Å; H69-W100 AromaticContact ND1-CZ2 3.52Å; H69-W100 AromaticContact ND1-CZ3 3.45Å; H69-W100 WeakPolarHBondContact ND1-CZ3 3.46Å; A72-W100 HydrophobicContact CB-CH2 3.87Å; A72-W100 HydrophobicContact CB-CZ3 3.45Å; A72-W100 VanDerWaalsContact CB-CZ3 3.45Å; I84-W100 HydrophobicContact CD1-CB 4.45Å; I84-W100 HydrophobicContact CG2-CB 3.75Å; I84-W100 HydrophobicContact CG2-CG 4.34Å; T96-W100 PolarHBondContact O-N 2.89Å; L97-W100 WeakPolarHBondContact O-CB 3.39Å; L97-W100 PolarHBondContact O-N 2.84Å; L97-W100 VanDerWaalsContact O-N 3.16Å; W100-L104 VanDerWaalsContact O-CB 3.28Å; W100-L104 WeakPolarHBondContact O-CB 3.36Å; W100-L104 PolarHBondContact O-N 3.2Å
101V97.1Very high96Very high8 Ų869.1 Ų69.15%0.04834%0.338CS..Hα-helixtrans-60.1-46.4174168.20000110.8I84 L97 K99 L104 K105 F137 I141I84-V101 HydrophobicContact CD1-CB 4.34Å; I84-V101 HydrophobicContact CD1-CG2 3.5Å; L97-V101 HydrophobicContact CD2-CG2 4.13Å; L97-V101 WeakPolarHBondContact O-CG2 3.41Å; L97-V101 PolarHBondContact O-N 3.46Å; K99-V101 VanDerWaalsContact C-N 3.33Å; K99-V101 PolarHBondContact O-N 2.96Å; V101-L104 PolarHBondContact O-N 3.33Å; V101-K105 HydrophobicContact CG1-CD 4.23Å; V101-K105 WeakPolarHBondContact O-CG 3.42Å; V101-K105 PolarHBondContact O-N 3.03Å; V101-F137 HydrophobicContact CB-CZ 4.36Å; V101-F137 HydrophobicContact CG1-CZ 4.27Å; V101-F137 HydrophobicContact CG2-CE1 4.1Å; V101-F137 HydrophobicContact CG2-CZ 4.26Å; V101-I141 HydrophobicContact CB-CD1 4.5Å; V101-I141 HydrophobicContact CG1-CD1 3.63Å; V101-I141 HydrophobicContact CG2-CD1 3.97Å
102K96.4Very high95.9Very high127 Ų12767 Ų6755%0.55233%0.327SS*.Hα-helixtrans-60.4-50.8179.6-178.1-178.3171.1-177.30111.2K98 K99 L104 K105 E106K98-K102 PolarHBondContact O-N 3.26Å; K99-K102 WeakPolarHBondContact O-CB 3.43Å; K99-K102 PolarHBondContact O-N 2.88Å; K99-K102 VanDerWaalsContact O-N 3.16Å; K102-L104 VanDerWaalsContact C-N 3.33Å; K102-L104 PolarHBondContact O-N 3.07Å; K102-K105 PolarHBondContact O-N 2.92Å; K102-E106 WeakPolarHBondContact CE-OE1 3.12Å; K102-E106 IonicContact NZ-OE1 3.82Å; K102-E106 WeakPolarHBondContact O-CG 3.18Å; K102-E106 PolarHBondContact O-N 3.13Å
103E94.8Very high95.9Very high24 Ų2461.7 Ų61.711%0.11230%0.299CS..Hα-helixtrans-59.9-44.3178.7-172.6-160.714100111.6H69 Y76 K99 K105 E106 H107H69-E103 IonicContact CE1-OE2 3.9Å; H69-E103 PolarHBondContact CE1-OE2 2.81Å; H69-E103 IonicContact ND1-OE2 3.79Å; H69-E103 IonicContact NE2-OE2 2.91Å; H69-E103 PolarHBondContact NE2-OE2 2.75Å; Y76-E103 WeakPolarHBondContact CE1-OE1 3.41Å; Y76-E103 PolarHBondContact OH-OE1 3.06Å; K99-E103 PolarHBondContact O-N 2.87Å; E103-K105 VanDerWaalsContact C-N 3.28Å; E103-K105 PolarHBondContact O-N 3.07Å; E103-E106 PolarHBondContact O-N 2.73Å; E103-E106 VanDerWaalsContact O-N 3.12Å; E103-H107 PolarHBondContact O-N 3.18Å
104L96.1Very high95.8Very high4 Ų462.4 Ų62.42%0.02130%0.303CS..Hα-helixtrans-63-36.6179.1-173.368.6000112L12 Y76 A82 I84 W100 V101 K102 E106 G108 I112 V114L12-L104 HydrophobicContact CD1-CD1 4.42Å; Y76-L104 HydrophobicContact CD1-CD1 3.76Å; Y76-L104 HydrophobicContact CD2-CD1 3.99Å; Y76-L104 HydrophobicContact CE1-CD1 4.36Å; Y76-L104 HydrophobicContact CG-CD1 3.53Å; A82-L104 HydrophobicContact CB-CD1 4.41Å; A82-L104 HydrophobicContact CB-CD2 3.46Å; A82-L104 VanDerWaalsContact CB-CD2 3.46Å; I84-L104 HydrophobicContact CD1-CD2 4.19Å; W100-L104 VanDerWaalsContact O-CB 3.28Å; W100-L104 WeakPolarHBondContact O-CB 3.36Å; W100-L104 PolarHBondContact O-N 3.2Å; V101-L104 PolarHBondContact O-N 3.33Å; K102-L104 VanDerWaalsContact C-N 3.33Å; K102-L104 PolarHBondContact O-N 3.07Å; L104-E106 VanDerWaalsContact C-N 3.35Å; L104-G108 WeakPolarHBondContact O-CA 2.85Å; L104-G108 PolarHBondContact O-N 3.12Å; L104-I112 HydrophobicContact CD1-CD1 4.1Å; L104-I112 HydrophobicContact CD2-CD1 4.4Å; L104-I112 HydrophobicContact CD2-CG2 4.25Å; L104-I112 HydrophobicContact CG-CG2 4.3Å; L104-V114 HydrophobicContact CD2-CG2 3.97Å
105K94.4Very high95.8Very high128 Ų12862.4 Ų62.456%0.55730%0.303SS*.Hα-helixtrans-69.3-32.6174.5-75.6-177.4173.1-167.70112.9V101 K102 E103 I141V101-K105 HydrophobicContact CG1-CD 4.23Å; V101-K105 WeakPolarHBondContact O-CG 3.42Å; V101-K105 PolarHBondContact O-N 3.03Å; K102-K105 PolarHBondContact O-N 2.92Å; E103-K105 VanDerWaalsContact C-N 3.28Å; E103-K105 PolarHBondContact O-N 3.07Å; K105-I141 VanDerWaalsContact NZ-CG2 3.27Å
106E94.8Very high95.9Very high114 Ų11459 Ų5953%0.53329%0.287SS..Hα-helixtrans-78.5-37.2-179-73.1172.717300112.1K102 E103 L104K102-E106 WeakPolarHBondContact CE-OE1 3.12Å; K102-E106 IonicContact NZ-OE1 3.82Å; K102-E106 WeakPolarHBondContact O-CG 3.18Å; K102-E106 PolarHBondContact O-N 3.13Å; E103-E106 PolarHBondContact O-N 2.73Å; E103-E106 VanDerWaalsContact O-N 3.12Å; L104-E106 VanDerWaalsContact C-N 3.35Å
107H94.2Very high96Very high122 Ų12257.4 Ų57.457%0.56528%0.277SS*.Hα-helixtrans-124.7-10.4-168-55.9158.5000114.6Y76 E103Y76-H107 HydrophobicContact CE2-CB 4.06Å; Y76-H107 WeakPolarHBondContact CE2-O 3.22Å; Y76-H107 WeakPolarHBondContact OH-CB 3.38Å; E103-H107 PolarHBondContact O-N 3.18Å
108G94.8Very high96.1Very high18 Ų1857.4 Ų57.419%0.18628%0.277CS..SBendtrans-80.7174-179.900000113.5L104L104-G108 WeakPolarHBondContact O-CA 2.85Å; L104-G108 PolarHBondContact O-N 3.12Å
109P94.8Very high96.1Very high42 Ų4254.7 Ų54.727%0.27327%0.266SS..  trans-61140.5171.5-16.830000111.2Y76 D111 I112Y76-P109 WeakPolarHBondContact O-CD 3.38Å; Y76-P109 WeakPolarHBondContact O-CG 3.26Å; P109-D111 VanDerWaalsContact C-N 3.31Å; P109-D111 PolarHBondContact O-N 3.09Å; P109-I112 HydrophobicContact CB-CB 4.2Å; P109-I112 HydrophobicContact CG-CB 4.34Å; P109-I112 HydrophobicContact CG-CD1 4.45Å; P109-I112 WeakPolarHBondContact O-CB 3.48Å; P109-I112 WeakPolarHBondContact O-CG2 3.42Å; P109-I112 PolarHBondContact O-N 2.98Å
110E90.6Very high96.2Very high194 Ų19450.4 Ų50.491%0.90725%0.247SC*.THydrogen-bonded Turntrans-58.8-41.4-178.9-67.2-177.2175.500112.5I112E110-I112 VanDerWaalsContact C-N 3.35Å; E110-I112 PolarHBondContact O-N 3.1Å
111D91.3Very high96.3Very high150 Ų15052.1 Ų52.180%0.80226%0.257SS*.THydrogen-bonded Turntrans-92.917.8-176.9-60.9-46.1000114P109 V113P109-D111 VanDerWaalsContact C-N 3.31Å; P109-D111 PolarHBondContact O-N 3.09Å; D111-V113 PolarHBondContact O-N 2.75Å
112I95.9Very high96.3Very high21 Ų2153.8 Ų53.811%0.10827%0.266CS..PPolyproline II helixtrans-67.5126.2-178.7-165.4169.6000111.1A82 L104 P109 E110 V114A82-I112 HydrophobicContact CB-CD1 3.75Å; A82-I112 HydrophobicContact CB-CG1 4.44Å; L104-I112 HydrophobicContact CD1-CD1 4.1Å; L104-I112 HydrophobicContact CD2-CD1 4.4Å; L104-I112 HydrophobicContact CD2-CG2 4.25Å; L104-I112 HydrophobicContact CG-CG2 4.3Å; P109-I112 HydrophobicContact CB-CB 4.2Å; P109-I112 HydrophobicContact CG-CB 4.34Å; P109-I112 HydrophobicContact CG-CD1 4.45Å; P109-I112 WeakPolarHBondContact O-CB 3.48Å; P109-I112 WeakPolarHBondContact O-CG2 3.42Å; P109-I112 PolarHBondContact O-N 2.98Å; E110-I112 VanDerWaalsContact C-N 3.35Å; E110-I112 PolarHBondContact O-N 3.1Å; I112-V114 HydrophobicContact CG2-CG2 4.28Å; I112-V114 PolarHBondContact O-N 3.24Å
113V97.5Very high96.4Very high15 Ų1550.5 Ų50.59%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-70.3119.8171.8173.10000109.2A80 A81 A82 D111 I144 Q166 I167A80-V113 PolarHBondContact O-N 3.44Å; A81-V113 CarbonylContact C-O 3.56Å; A81-V113 WeakPolarHBondContact CA-O 3.37Å; A81-V113 HydrophobicContact CB-CB 3.92Å; A81-V113 HydrophobicContact CB-CG1 4.37Å; A81-V113 WeakPolarHBondContact CB-O 3.14Å; A82-V113 PolarHBondContact N-O 2.88Å; D111-V113 PolarHBondContact O-N 2.75Å; V113-I144 HydrophobicContact CG1-CD1 3.7Å; V113-Q166 HydrophobicContact CG1-CB 3.98Å; V113-Q166 HydrophobicContact CG1-CG 3.87Å; V113-Q166 HydrophobicContact CG2-CB 4.26Å; V113-Q166 HydrophobicContact CG2-CG 4.01Å; V113-I167 HydrophobicContact CB-CG1 4.34Å; V113-I167 HydrophobicContact CG2-CG1 3.78Å
114V98.3Very high96.6Very high23 Ų2351 Ų5114%0.13927%0.266CS..EExtended strand (participates in β ladder)trans-96.3128.7176.6-174.80000110I84 L104 I112 A143 I144I84-V114 HydrophobicContact CD1-CG1 4.03Å; L104-V114 HydrophobicContact CD2-CG2 3.97Å; I112-V114 HydrophobicContact CG2-CG2 4.28Å; I112-V114 PolarHBondContact O-N 3.24Å; V114-A143 HydrophobicContact CB-CB 4.06Å; V114-A143 HydrophobicContact CG1-CB 3.93Å; V114-A143 CarbonylContact O-C 3.47Å; V114-A143 VanDerWaalsContact O-CA 3.32Å; V114-A143 WeakPolarHBondContact O-CA 3.18Å; V114-A143 WeakPolarHBondContact O-CB 3.18Å; V114-I144 PolarHBondContact O-N 3.2Å
115A98.8Very high96.7Very high0 Ų058.9 Ų58.90%031%0.308CS..EExtended strand (participates in β ladder)trans-122.1130.5170.800000110.5A82 V83 I84 I144 L159 I163A82-A115 PolarHBondContact O-N 2.82Å; V83-A115 CarbonylContact C-O 3.46Å; V83-A115 WeakPolarHBondContact CA-O 3.36Å; V83-A115 HydrophobicContact CG2-CB 4.38Å; I84-A115 PolarHBondContact N-O 3.16Å; A115-I144 CarbonylContact C-O 3.46Å; A115-I144 WeakPolarHBondContact CA-O 3.16Å; A115-I144 HydrophobicContact CB-CB 3.96Å; A115-I144 HydrophobicContact CB-CD1 4.45Å; A115-I144 HydrophobicContact CB-CG2 4.37Å; A115-L159 HydrophobicContact CB-CD1 3.9Å; A115-I163 HydrophobicContact CB-CD1 4.09Å; A115-I163 HydrophobicContact CB-CG1 4.07Å
116I98.8Very high96.8Very high0 Ų057.8 Ų57.80%031%0.307CS..EExtended strand (participates in β ladder)trans-100.6122.2172.3-69.5175.6000108.4I84 Y86 L97 F137 A138 I141 A143 I144 F145 I146I84-I116 WeakPolarHBondContact O-CA 3.16Å; Y86-I116 HydrophobicContact CD1-CG2 4.09Å; Y86-I116 HydrophobicContact CE1-CG2 3.81Å; L97-I116 HydrophobicContact CD1-CG1 4.39Å; L97-I116 HydrophobicContact CD1-CG2 3.91Å; L97-I116 HydrophobicContact CD2-CD1 3.99Å; L97-I116 HydrophobicContact CD2-CG1 4.33Å; I116-F137 HydrophobicContact CD1-CD1 3.74Å; I116-F137 HydrophobicContact CD1-CE1 3.76Å; I116-A138 HydrophobicContact CB-CB 4.48Å; I116-A138 HydrophobicContact CD1-CB 3.87Å; I116-I141 HydrophobicContact CD1-CD1 3.89Å; I116-A143 HydrophobicContact CD1-CB 4.27Å; I116-A143 HydrophobicContact CG1-CB 4.32Å; I116-I144 PolarHBondContact N-O 3.07Å; I116-F145 HydrophobicContact CB-CD2 4.31Å; I116-F145 HydrophobicContact CG2-CD2 3.89Å; I116-F145 HydrophobicContact CG2-CE2 4.21Å; I116-I146 PolarHBondContact O-N 3.1Å; I116-I146 VanDerWaalsContact O-N 3.1Å
117A98.9Very high97Very high0 Ų056.1 Ų56.10%030%0.296CS..EExtended strand (participates in β ladder)trans-113.5111.9177.600000110.9V83 I84 V85 Y86 N119 I146 L159V83-A117 HydrophobicContact CG1-CB 4Å; I84-A117 PolarHBondContact O-N 3.01Å; V85-A117 WeakPolarHBondContact CA-O 2.83Å; V85-A117 HydrophobicContact CG2-CB 4.28Å; Y86-A117 WeakPolarHBondContact CD1-O 3.32Å; Y86-A117 PolarHBondContact N-O 3.26Å; A117-N119 PolarHBondContact O-N 2.84Å; A117-I146 VanDerWaalsContact CA-O 3.3Å; A117-I146 WeakPolarHBondContact CA-O 3.03Å; A117-L159 HydrophobicContact CB-CD2 4.07Å
118G98.9Very high97.2Very high0 Ų055.7 Ų55.70%029%0.294CS..EExtended strand (participates in β ladder)trans-84.696.7170.300000110.3I146 E147 T148G118-I146 PolarHBondContact N-O 3.07Å; G118-E147 CarbonylContact O-C 3.52Å; G118-E147 WeakPolarHBondContact O-CA 3.25Å; G118-T148 PolarHBondContact O-N 3.02Å
119N98.9Very high97.4Very high4 Ų454.9 Ų54.92%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-88.3165.3-173.2-166.435.9000112.6V17 I22 V85 Y86 I88 A117 T148 A150V17-N119 PolarHBondContact O-ND2 3.01Å; I22-N119 HydrophobicContact CD1-CB 4.07Å; V85-N119 HydrophobicContact CG1-CB 3.83Å; Y86-N119 PolarHBondContact O-N 3.05Å; I88-N119 WeakPolarHBondContact CG1-O 3.32Å; I88-N119 WeakPolarHBondContact CG2-O 3.37Å; I88-N119 PolarHBondContact N-O 3.38Å; A117-N119 PolarHBondContact O-N 2.84Å; N119-T148 CarbonylContact C-O 3.47Å; N119-T148 WeakPolarHBondContact CA-O 3.45Å; N119-T148 PolarHBondContact OD1-O 3.45Å; N119-T148 PolarHBondContact OD1-OG1 3.02Å; N119-A150 PolarHBondContact OD1-N 3.03Å
120K98.6Very high97.6Very high51 Ų5156 Ų5622%0.22229%0.292CS..  trans67.834.8-177.4-44.8-169.7-164.7168.50113.5G16 D87 I88 D122 L123 T148G16-K120 WeakPolarHBondContact O-CE 3.44Å; G16-K120 PolarHBondContact O-NZ 2.99Å; D87-K120 WeakPolarHBondContact OD1-CD 3.39Å; D87-K120 WeakPolarHBondContact OD2-CD 3.28Å; D87-K120 VanDerWaalsContact OD2-CE 3.25Å; D87-K120 WeakPolarHBondContact OD2-CE 3.49Å; D87-K120 IonicContact OD2-NZ 2.75Å; D87-K120 PolarHBondContact OD2-NZ 2.78Å; I88-K120 WeakPolarHBondContact CD1-O 3.19Å; I88-K120 WeakPolarHBondContact CG1-O 3.13Å; K120-D122 WeakPolarHBondContact CA-OD1 3.31Å; K120-D122 PolarHBondContact O-N 2.89Å; K120-L123 HydrophobicContact CB-CD1 4.23Å; K120-L123 HydrophobicContact CB-CG 4.5Å; K120-L123 HydrophobicContact CD-CD1 4.31Å; K120-L123 WeakPolarHBondContact O-CB 3.25Å; K120-L123 PolarHBondContact O-N 2.84Å; K120-T148 PolarHBondContact N-O 3.17Å
121N98.4Very high97.9Very high50 Ų5051.3 Ų51.327%0.26727%0.272SS..G310 helixtrans-55.4-25.4174.7130.6-9.5000112.9L123 G124 E147 T148N121-L123 PolarHBondContact O-N 2.81Å; N121-L123 VanDerWaalsContact O-N 3.07Å; N121-G124 PolarHBondContact O-N 3.37Å; N121-G124 VanDerWaalsContact O-N 3.12Å; N121-E147 HydrophobicContact CB-CB 4.23Å; N121-T148 PolarHBondContact N-O 2.91Å; N121-T148 VanDerWaalsContact N-O 3.09Å
122D98.5Very high98.3Very high43 Ų4351.2 Ų51.223%0.2326%0.264CS..G310 helixtrans-60.7-14.3173.758.5-76.1000114.1K120 S149 R151 N152K120-D122 WeakPolarHBondContact CA-OD1 3.31Å; K120-D122 PolarHBondContact O-N 2.89Å; D122-S149 VanDerWaalsContact CG-OG 3.29Å; D122-S149 WeakPolarHBondContact OD1-CB 3.27Å; D122-S149 PolarHBondContact OD1-OG 3.1Å; D122-R151 WeakPolarHBondContact OD2-CD 3.36Å; D122-R151 IonicContact OD2-NH1 2.77Å; D122-N152 WeakPolarHBondContact CB-ND2 3.39Å
123L98.1Very high98.4Very high58 Ų5853.4 Ų53.430%0.30427%0.274SS..G310 helixtrans-104.333176.5-56.9179.7000112.2T89 K120 N121 D125 I126T89-L123 HydrophobicContact CG2-CB 3.61Å; T89-L123 HydrophobicContact CG2-CD1 4.14Å; K120-L123 HydrophobicContact CB-CD1 4.23Å; K120-L123 HydrophobicContact CB-CG 4.5Å; K120-L123 HydrophobicContact CD-CD1 4.31Å; K120-L123 WeakPolarHBondContact O-CB 3.25Å; K120-L123 PolarHBondContact O-N 2.84Å; N121-L123 PolarHBondContact O-N 2.81Å; N121-L123 VanDerWaalsContact O-N 3.07Å; L123-D125 PolarHBondContact O-N 2.77Å; L123-I126 HydrophobicContact CB-CD1 4.29Å; L123-I126 HydrophobicContact CB-CG1 4.01Å; L123-I126 HydrophobicContact CD1-CD1 4.47Å; L123-I126 VanDerWaalsContact O-CG1 3.31Å; L123-I126 WeakPolarHBondContact O-CG1 3.2Å; L123-I126 PolarHBondContact O-N 2.56Å; L123-I126 VanDerWaalsContact O-N 3.1Å
124G97.6Very high98.4Very high35 Ų3552.7 Ų52.736%0.36127%0.27SS..G310 helixtrans-55.4-25.8-176.400000115.3N121 I126 R127N121-G124 PolarHBondContact O-N 3.37Å; N121-G124 VanDerWaalsContact O-N 3.12Å; G124-I126 VanDerWaalsContact C-N 3.26Å; G124-I126 PolarHBondContact O-N 3.47Å; G124-R127 VanDerWaalsContact O-CB 3.25Å; G124-R127 WeakPolarHBondContact O-CB 3.46Å; G124-R127 PolarHBondContact O-N 2.85Å
125D98Very high98.4Very high168 Ų16856.3 Ų56.390%0.89828%0.284SS*.G310 helixtrans-66.7-25.3179.2-63.1-30.9000113.5L123L123-D125 PolarHBondContact O-N 2.77Å
126I98.3Very high98.4Very high106 Ų10661.1 Ų61.154%0.54431%0.306SS..G310 helixtrans-113.427.2179.260.3163.7000111.6T89 L123 G124 E128T89-I126 HydrophobicContact CG2-CD1 3.99Å; T89-I126 HydrophobicContact CG2-CG1 3.81Å; L123-I126 HydrophobicContact CB-CD1 4.29Å; L123-I126 HydrophobicContact CB-CG1 4.01Å; L123-I126 HydrophobicContact CD1-CD1 4.47Å; L123-I126 VanDerWaalsContact O-CG1 3.31Å; L123-I126 WeakPolarHBondContact O-CG1 3.2Å; L123-I126 PolarHBondContact O-N 2.56Å; L123-I126 VanDerWaalsContact O-N 3.1Å; G124-I126 VanDerWaalsContact C-N 3.26Å; G124-I126 PolarHBondContact O-N 3.47Å; I126-E128 PolarHBondContact O-N 3.32Å
127R98.6Very high98.4Very high79 Ų7963.2 Ų63.230%0.29832%0.315SS..  trans-61.7131.3179.5174.2-178-69.4-90.15.8111.2I88 G124 V129 E147I88-R127 HydrophobicContact CD1-CB 4.46Å; G124-R127 VanDerWaalsContact O-CB 3.25Å; G124-R127 WeakPolarHBondContact O-CB 3.46Å; G124-R127 PolarHBondContact O-N 2.85Å; R127-V129 VanDerWaalsContact CD-O 3.25Å; R127-V129 WeakPolarHBondContact CD-O 3.49Å; R127-V129 WeakPolarHBondContact CG-O 3.43Å; R127-V129 PolarHBondContact NH1-O 2.95Å; R127-E147 IonicContact CZ-OE1 3.98Å; R127-E147 IonicContact CZ-OE2 3.19Å; R127-E147 IonicContact NH1-OE1 3.36Å; R127-E147 PolarHBondContact NH1-OE1 2.7Å; R127-E147 IonicContact NH1-OE2 2.68Å; R127-E147 IonicContact NH2-OE1 3.77Å; R127-E147 PolarHBondContact NH2-OE1 3.19Å; R127-E147 IonicContact NH2-OE2 2.7Å; R127-E147 PolarHBondContact NH2-OE2 2.92Å
128E98.7Very high98.4Very high113 Ų11363.2 Ų63.253%0.52832%0.315SS..  trans-106.8-25.1172-64.7-174.118000112.4I88 T89 K90 L91 I126 P130I88-E128 PolarHBondContact O-N 3.36Å; T89-E128 WeakPolarHBondContact O-CG 3.47Å; K90-E128 VanDerWaalsContact CA-OE2 3.32Å; K90-E128 WeakPolarHBondContact CA-OE2 3.3Å; L91-E128 HydrophobicContact CB-CB 4.28Å; L91-E128 PolarHBondContact N-OE2 3.31Å; I126-E128 PolarHBondContact O-N 3.32Å; E128-P130 WeakPolarHBondContact O-CD 3.1Å
129V98.5Very high98.4Very high0 Ų068.6 Ų68.60%034%0.341CS..SBendtrans-104.6111.4-179.3-174.40000110.1Y86 I88 L91 F94 R127 M131 A134Y86-V129 HydrophobicContact CD2-CG1 4.48Å; Y86-V129 HydrophobicContact CD2-CG2 4.24Å; Y86-V129 HydrophobicContact CE2-CB 3.87Å; Y86-V129 HydrophobicContact CE2-CG1 3.7Å; Y86-V129 HydrophobicContact CE2-CG2 4.07Å; I88-V129 PolarHBondContact O-N 2.78Å; L91-V129 HydrophobicContact CD1-CG2 4.19Å; F94-V129 HydrophobicContact CB-CG1 4.22Å; F94-V129 HydrophobicContact CB-CG2 3.82Å; F94-V129 HydrophobicContact CD1-CG1 3.98Å; F94-V129 HydrophobicContact CD2-CG1 4.29Å; F94-V129 HydrophobicContact CE1-CG1 4.44Å; F94-V129 HydrophobicContact CG-CG1 3.91Å; F94-V129 HydrophobicContact CG-CG2 4.41Å; R127-V129 VanDerWaalsContact CD-O 3.25Å; R127-V129 WeakPolarHBondContact CD-O 3.49Å; R127-V129 WeakPolarHBondContact CG-O 3.43Å; R127-V129 PolarHBondContact NH1-O 2.95Å; V129-M131 PolarHBondContact O-N 3.19Å; V129-A134 HydrophobicContact CG1-CB 4.27Å
130P98.4Very high98.4Very high65 Ų6572.7 Ų72.742%0.42237%0.369SS..  trans-60.7131174.9-22.433.9000111.2E128 K132 E133 A134E128-P130 WeakPolarHBondContact O-CD 3.1Å; P130-K132 PolarHBondContact O-N 3.42Å; P130-K132 VanDerWaalsContact O-N 3.15Å; P130-E133 HydrophobicContact CB-CB 4.37Å; P130-E133 PolarHBondContact O-N 3.38Å; P130-E133 VanDerWaalsContact O-N 3.08Å; P130-A134 PolarHBondContact O-N 3.08Å
131M98Very high98.3Very high96 Ų9671.7 Ų71.747%0.47337%0.366SS..Hα-helixtrans-55.1-37178.5-175.7-173.1-174.900111.9V129 A134 K135 F145 E147V129-M131 PolarHBondContact O-N 3.19Å; M131-A134 PolarHBondContact O-N 3.31Å; M131-K135 VanDerWaalsContact O-CB 3.28Å; M131-K135 WeakPolarHBondContact O-CB 3.41Å; M131-K135 PolarHBondContact O-N 3.25Å; M131-F145 HydrophobicContact CE-CE1 3.94Å; M131-F145 HydrophobicContact CG-CE1 3.92Å; M131-F145 HydrophobicContact CG-CZ 4.15Å; M131-E147 HydrophobicContact CG-CG 4.43Å
132K98.3Very high98.2Very high148 Ų14873.8 Ų73.864%0.64339%0.391SS*.Hα-helixtrans-59.4-47178-176.5178.7170.7-178.30112P130 A134 K135 E136P130-K132 PolarHBondContact O-N 3.42Å; P130-K132 VanDerWaalsContact O-N 3.15Å; K132-A134 PolarHBondContact O-N 3.36Å; K132-K135 PolarHBondContact O-N 3.43Å; K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 HydrophobicContact CG-CG 4.39Å; K132-E136 IonicContact NZ-OE1 2.89Å; K132-E136 WeakPolarHBondContact O-CB 3.37Å; K132-E136 VanDerWaalsContact O-CG 3.32Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 2.95Å
133E98.1Very high98.2Very high68 Ų6872.4 Ų72.432%0.31839%0.385SS..Hα-helixtrans-62-46.3179.8-176.3-172.5161.400111.2F94 K98 P130 K135 E136 F137F94-E133 HydrophobicContact CE1-CG 4.06Å; F94-E133 WeakPolarHBondContact CE1-OE1 3.46Å; K98-E133 IonicContact NZ-OE1 3.59Å; P130-E133 HydrophobicContact CB-CB 4.37Å; P130-E133 PolarHBondContact O-N 3.38Å; P130-E133 VanDerWaalsContact O-N 3.08Å; E133-K135 VanDerWaalsContact C-N 3.34Å; E133-K135 PolarHBondContact O-N 3.29Å; E133-E136 PolarHBondContact O-N 3.38Å; E133-F137 WeakPolarHBondContact O-CB 3.43Å; E133-F137 PolarHBondContact O-N 3.08Å
134A98.4Very high98.2Very high0 Ų070.6 Ų70.60%038%0.375CS..Hα-helixtrans-65.7-38.2-179.900000112.5Y86 F94 V129 P130 M131 K132 A138 F145Y86-A134 HydrophobicContact CE1-CB 4.23Å; Y86-A134 WeakPolarHBondContact OH-CB 3.42Å; F94-A134 HydrophobicContact CE2-CB 3.81Å; F94-A134 HydrophobicContact CZ-CB 4.04Å; V129-A134 HydrophobicContact CG1-CB 4.27Å; P130-A134 PolarHBondContact O-N 3.08Å; M131-A134 PolarHBondContact O-N 3.31Å; K132-A134 PolarHBondContact O-N 3.36Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.19Å; A134-F145 HydrophobicContact CB-CD2 4.48Å; A134-F145 HydrophobicContact CB-CE2 3.55Å; A134-F145 HydrophobicContact CB-CZ 3.83Å
135K98.6Very high98.3Very high99 Ų9970.3 Ų70.343%0.4336%0.364SS..Hα-helixtrans-66.3-48.6176-172.3-179.9177.9-166.60112M131 K132 E133 F137 A138 E139 F145M131-K135 VanDerWaalsContact O-CB 3.28Å; M131-K135 WeakPolarHBondContact O-CB 3.41Å; M131-K135 PolarHBondContact O-N 3.25Å; K132-K135 PolarHBondContact O-N 3.43Å; E133-K135 VanDerWaalsContact C-N 3.34Å; E133-K135 PolarHBondContact O-N 3.29Å; K135-F137 VanDerWaalsContact C-N 3.29Å; K135-F137 PolarHBondContact O-N 3.39Å; K135-A138 PolarHBondContact O-N 3.49Å; K135-E139 WeakPolarHBondContact CE-OE1 3.28Å; K135-E139 IonicContact NZ-OE1 3.38Å; K135-E139 WeakPolarHBondContact O-CG 3.27Å; K135-E139 PolarHBondContact O-N 3.15Å; K135-F145 HydrophobicContact CB-CD1 3.74Å; K135-F145 HydrophobicContact CB-CE1 3.81Å; K135-F145 HydrophobicContact CB-CG 4.31Å; K135-F145 HydrophobicContact CB-CZ 4.44Å; K135-F145 HydrophobicContact CD-CD1 4.47Å; K135-F145 HydrophobicContact CG-CD1 3.84Å; K135-F145 HydrophobicContact CG-CE1 4.33Å; K135-F145 HydrophobicContact CG-CG 4.44Å
136E98.8Very high98.3Very high101 Ų10162.6 Ų62.647%0.47232%0.323SS..Hα-helixtrans-60-40.8177.7-74.9173.3169.200111.2K132 E133 E139 S140K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 HydrophobicContact CG-CG 4.39Å; K132-E136 IonicContact NZ-OE1 2.89Å; K132-E136 WeakPolarHBondContact O-CB 3.37Å; K132-E136 VanDerWaalsContact O-CG 3.32Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 2.95Å; E133-E136 PolarHBondContact O-N 3.38Å; E136-E139 PolarHBondContact O-N 3.17Å; E136-S140 PolarHBondContact O-N 2.65Å
137F98.7Very high98.4Very high43 Ų4358.1 Ų58.119%0.18930%0.3CS..Hα-helixtrans-62.3-46.8174.3176.6-108.4000112.1F94 L97 K98 V101 I116 E133 K135 E139 S140 I141F94-F137 HydrophobicContact CE2-CD1 4.22Å; F94-F137 HydrophobicContact CZ-CB 4.02Å; F94-F137 HydrophobicContact CZ-CD1 4.08Å; F94-F137 HydrophobicContact CZ-CG 4.21Å; L97-F137 HydrophobicContact CD2-CD1 4.17Å; L97-F137 HydrophobicContact CD2-CE1 3.64Å; K98-F137 HydrophobicContact CB-CZ 4.17Å; K98-F137 HydrophobicContact CD-CE2 4.4Å; K98-F137 HydrophobicContact CG-CD1 4.49Å; K98-F137 HydrophobicContact CG-CE1 3.95Å; K98-F137 HydrophobicContact CG-CE2 3.99Å; K98-F137 HydrophobicContact CG-CZ 3.68Å; V101-F137 HydrophobicContact CB-CZ 4.36Å; V101-F137 HydrophobicContact CG1-CZ 4.27Å; V101-F137 HydrophobicContact CG2-CE1 4.1Å; V101-F137 HydrophobicContact CG2-CZ 4.26Å; I116-F137 HydrophobicContact CD1-CD1 3.74Å; I116-F137 HydrophobicContact CD1-CE1 3.76Å; E133-F137 WeakPolarHBondContact O-CB 3.43Å; E133-F137 PolarHBondContact O-N 3.08Å; K135-F137 VanDerWaalsContact C-N 3.29Å; K135-F137 PolarHBondContact O-N 3.39Å; F137-E139 VanDerWaalsContact C-N 3.35Å; F137-E139 PolarHBondContact O-N 2.91Å; F137-S140 WeakPolarHBondContact O-CB 3.4Å; F137-S140 PolarHBondContact O-N 2.99Å; F137-S140 PolarHBondContact O-OG 3.46Å; F137-I141 HydrophobicContact CE1-CD1 4.14Å; F137-I141 HydrophobicContact CE2-CG2 4.43Å; F137-I141 HydrophobicContact CZ-CD1 4.32Å; F137-I141 PolarHBondContact O-N 2.99Å
138A98.6Very high98.4Very high0 Ų054.4 Ų54.40%029%0.286CS..Hα-helixtrans-61.4-42.5178.200000112.3I116 A134 K135 S140 I141 A142 A143 F145I116-A138 HydrophobicContact CB-CB 4.48Å; I116-A138 HydrophobicContact CD1-CB 3.87Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.19Å; K135-A138 PolarHBondContact O-N 3.49Å; A138-S140 VanDerWaalsContact C-N 3.34Å; A138-S140 PolarHBondContact O-N 3.23Å; A138-I141 CarbonylContact O-C 3.59Å; A138-I141 VanDerWaalsContact O-CG1 3.23Å; A138-I141 WeakPolarHBondContact O-CG1 3.48Å; A138-I141 PolarHBondContact O-N 2.92Å; A138-A142 PolarHBondContact O-N 3.47Å; A138-A142 VanDerWaalsContact O-N 3.16Å; A138-A143 HydrophobicContact CB-CB 4.3Å; A138-A143 PolarHBondContact O-N 3.47Å; A138-F145 HydrophobicContact CB-CB 3.66Å; A138-F145 HydrophobicContact CB-CD2 4.17Å; A138-F145 HydrophobicContact CB-CG 4.22Å
139E98.4Very high98.4Very high114 Ų11449 Ų4953%0.53326%0.26SS..Hα-helixtrans-60.5-42.3175-72.6171.8174.500111.5K135 E136 F137 I141 A142K135-E139 WeakPolarHBondContact CE-OE1 3.28Å; K135-E139 IonicContact NZ-OE1 3.38Å; K135-E139 WeakPolarHBondContact O-CG 3.27Å; K135-E139 PolarHBondContact O-N 3.15Å; E136-E139 PolarHBondContact O-N 3.17Å; F137-E139 VanDerWaalsContact C-N 3.35Å; F137-E139 PolarHBondContact O-N 2.91Å; E139-I141 PolarHBondContact O-N 3.35Å; E139-A142 PolarHBondContact O-N 3.47Å
140S98.3Very high98.4Very high89 Ų8949.1 Ų49.162%0.62226%0.261SS*.Hα-helixtrans-60.3-20.6178.6810000114.3E136 F137 A138E136-S140 PolarHBondContact O-N 2.65Å; F137-S140 WeakPolarHBondContact O-CB 3.4Å; F137-S140 PolarHBondContact O-N 2.99Å; F137-S140 PolarHBondContact O-OG 3.46Å; A138-S140 VanDerWaalsContact C-N 3.34Å; A138-S140 PolarHBondContact O-N 3.23Å
141I96.9Very high98.4Very high30 Ų3051.4 Ų51.415%0.15426%0.261CS..THydrogen-bonded Turntrans-114.110.6179.366.9168.9000113.1V101 K105 I116 F137 A138 E139 A143V101-I141 HydrophobicContact CB-CD1 4.5Å; V101-I141 HydrophobicContact CG1-CD1 3.63Å; V101-I141 HydrophobicContact CG2-CD1 3.97Å; K105-I141 VanDerWaalsContact NZ-CG2 3.27Å; I116-I141 HydrophobicContact CD1-CD1 3.89Å; F137-I141 HydrophobicContact CE1-CD1 4.14Å; F137-I141 HydrophobicContact CE2-CG2 4.43Å; F137-I141 HydrophobicContact CZ-CD1 4.32Å; F137-I141 PolarHBondContact O-N 2.99Å; A138-I141 CarbonylContact O-C 3.59Å; A138-I141 VanDerWaalsContact O-CG1 3.23Å; A138-I141 WeakPolarHBondContact O-CG1 3.48Å; A138-I141 PolarHBondContact O-N 2.92Å; E139-I141 PolarHBondContact O-N 3.35Å; I141-A143 HydrophobicContact CD1-CB 3.74Å; I141-A143 HydrophobicContact CG1-CB 3.64Å; I141-A143 PolarHBondContact O-N 3.47Å
142A97Very high98.4Very high95 Ų9551.4 Ų51.479%0.78526%0.264SS*.THydrogen-bonded Turntrans53.532.8-17500000114A138 E139A138-A142 PolarHBondContact O-N 3.47Å; A138-A142 VanDerWaalsContact O-N 3.16Å; E139-A142 PolarHBondContact O-N 3.47Å
143A98.3Very high98.4Very high13 Ų1346.5 Ų46.511%0.10725%0.251CS..  trans-87.2149.3176.200000111.6V114 I116 A138 I141 F145V114-A143 HydrophobicContact CB-CB 4.06Å; V114-A143 HydrophobicContact CG1-CB 3.93Å; V114-A143 CarbonylContact O-C 3.47Å; V114-A143 VanDerWaalsContact O-CA 3.32Å; V114-A143 WeakPolarHBondContact O-CA 3.18Å; V114-A143 WeakPolarHBondContact O-CB 3.18Å; I116-A143 HydrophobicContact CD1-CB 4.27Å; I116-A143 HydrophobicContact CG1-CB 4.32Å; A138-A143 HydrophobicContact CB-CB 4.3Å; A138-A143 PolarHBondContact O-N 3.47Å; I141-A143 HydrophobicContact CD1-CB 3.74Å; I141-A143 HydrophobicContact CG1-CB 3.64Å; I141-A143 PolarHBondContact O-N 3.47Å; A143-F145 PolarHBondContact O-N 3.05Å
144I98.7Very high98.4Very high20 Ų2045.6 Ų45.610%0.10325%0.25CC..EExtended strand (participates in β ladder)trans-63.3132165.6-63.5163000107.8V113 V114 A115 I116 K162 I163 Q166V113-I144 HydrophobicContact CG1-CD1 3.7Å; V114-I144 PolarHBondContact O-N 3.2Å; A115-I144 CarbonylContact C-O 3.46Å; A115-I144 WeakPolarHBondContact CA-O 3.16Å; A115-I144 HydrophobicContact CB-CB 3.96Å; A115-I144 HydrophobicContact CB-CD1 4.45Å; A115-I144 HydrophobicContact CB-CG2 4.37Å; I116-I144 PolarHBondContact N-O 3.07Å; I144-K162 HydrophobicContact CD1-CB 4.17Å; I144-K162 HydrophobicContact CG2-CB 3.92Å; I144-K162 HydrophobicContact CG2-CD 3.79Å; I144-K162 HydrophobicContact CG2-CG 4.5Å; I144-I163 HydrophobicContact CD1-CG1 4.1Å; I144-Q166 HydrophobicContact CD1-CB 3.97Å; I144-Q166 HydrophobicContact CD1-CG 4.25Å
145F98.8Very high98.4Very high29 Ų2948.3 Ų48.313%0.12726%0.264CS..EExtended strand (participates in β ladder)trans-114.9134.8171.2-179.6-108.8000111.2Y86 I116 M131 A134 K135 A138 A143 E147Y86-F145 HydrophobicContact CE1-CE2 4.37Å; I116-F145 HydrophobicContact CB-CD2 4.31Å; I116-F145 HydrophobicContact CG2-CD2 3.89Å; I116-F145 HydrophobicContact CG2-CE2 4.21Å; M131-F145 HydrophobicContact CE-CE1 3.94Å; M131-F145 HydrophobicContact CG-CE1 3.92Å; M131-F145 HydrophobicContact CG-CZ 4.15Å; A134-F145 HydrophobicContact CB-CD2 4.48Å; A134-F145 HydrophobicContact CB-CE2 3.55Å; A134-F145 HydrophobicContact CB-CZ 3.83Å; K135-F145 HydrophobicContact CB-CD1 3.74Å; K135-F145 HydrophobicContact CB-CE1 3.81Å; K135-F145 HydrophobicContact CB-CG 4.31Å; K135-F145 HydrophobicContact CB-CZ 4.44Å; K135-F145 HydrophobicContact CD-CD1 4.47Å; K135-F145 HydrophobicContact CG-CD1 3.84Å; K135-F145 HydrophobicContact CG-CE1 4.33Å; K135-F145 HydrophobicContact CG-CG 4.44Å; A138-F145 HydrophobicContact CB-CB 3.66Å; A138-F145 HydrophobicContact CB-CD2 4.17Å; A138-F145 HydrophobicContact CB-CG 4.22Å; A143-F145 PolarHBondContact O-N 3.05Å; F145-E147 HydrophobicContact CE1-CG 4.27Å; F145-E147 HydrophobicContact CZ-CG 3.82Å
146I98.8Very high98.4Very high7 Ų743.7 Ų43.74%0.03624%0.244CC..EExtended strand (participates in β ladder)trans-155.3138.9172.4-163.3163.5000110.8I116 A117 G118 T148 N155 E158 L159 K162I116-I146 PolarHBondContact O-N 3.1Å; I116-I146 VanDerWaalsContact O-N 3.1Å; A117-I146 VanDerWaalsContact CA-O 3.3Å; A117-I146 WeakPolarHBondContact CA-O 3.03Å; G118-I146 PolarHBondContact N-O 3.07Å; I146-T148 HydrophobicContact CG2-CG2 4.11Å; I146-N155 HydrophobicContact CD1-CB 3.69Å; I146-N155 HydrophobicContact CG1-CB 3.83Å; I146-E158 HydrophobicContact CD1-CB 3.82Å; I146-E158 HydrophobicContact CD1-CG 3.73Å; I146-L159 HydrophobicContact CG2-CB 3.91Å; I146-L159 HydrophobicContact CG2-CD1 3.61Å; I146-L159 HydrophobicContact CG2-CG 4.22Å; I146-K162 HydrophobicContact CD1-CD 4.4Å
147E98.8Very high98.4Very high12 Ų1242 Ų426%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-92.9136.4167.6-67.1-164.7160.200110G118 N121 R127 M131 F145 N155G118-E147 CarbonylContact O-C 3.52Å; G118-E147 WeakPolarHBondContact O-CA 3.25Å; N121-E147 HydrophobicContact CB-CB 4.23Å; R127-E147 IonicContact CZ-OE1 3.98Å; R127-E147 IonicContact CZ-OE2 3.19Å; R127-E147 IonicContact NH1-OE1 3.36Å; R127-E147 PolarHBondContact NH1-OE1 2.7Å; R127-E147 IonicContact NH1-OE2 2.68Å; R127-E147 IonicContact NH2-OE1 3.77Å; R127-E147 PolarHBondContact NH2-OE1 3.19Å; R127-E147 IonicContact NH2-OE2 2.7Å; R127-E147 PolarHBondContact NH2-OE2 2.92Å; M131-E147 HydrophobicContact CG-CG 4.43Å; F145-E147 HydrophobicContact CE1-CG 4.27Å; F145-E147 HydrophobicContact CZ-CG 3.82Å; E147-N155 VanDerWaalsContact O-CB 3.26Å; E147-N155 WeakPolarHBondContact O-CB 3.3Å; E147-N155 PolarHBondContact O-ND2 2.94Å
148T98.9Very high98.4Very high0 Ų043.6 Ų43.60%024%0.244CC..EExtended strand (participates in β ladder)trans-124.6155.7-175.163.30000111.7G118 N119 K120 N121 I146 V154 N155 L159G118-T148 PolarHBondContact O-N 3.02Å; N119-T148 CarbonylContact C-O 3.47Å; N119-T148 WeakPolarHBondContact CA-O 3.45Å; N119-T148 PolarHBondContact OD1-O 3.45Å; N119-T148 PolarHBondContact OD1-OG1 3.02Å; K120-T148 PolarHBondContact N-O 3.17Å; N121-T148 PolarHBondContact N-O 2.91Å; N121-T148 VanDerWaalsContact N-O 3.09Å; I146-T148 HydrophobicContact CG2-CG2 4.11Å; T148-V154 WeakPolarHBondContact CA-O 3.41Å; T148-N155 HydrophobicContact CG2-CB 4.26Å; T148-L159 HydrophobicContact CG2-CD2 4.35Å
149S98.8Very high98.4Very high0 Ų043.6 Ų43.60%024%0.244CC..BIsolated β-bridgetrans-127.5107.4159.6174.70000108.5D122 R151 N152 A153 V154D122-S149 VanDerWaalsContact CG-OG 3.29Å; D122-S149 WeakPolarHBondContact OD1-CB 3.27Å; D122-S149 PolarHBondContact OD1-OG 3.1Å; S149-R151 PolarHBondContact O-N 3.18Å; S149-R151 PolarHBondContact OG-N 2.95Å; S149-N152 PolarHBondContact O-N 3.33Å; S149-N152 PolarHBondContact OG-N 2.91Å; S149-A153 CarbonylContact O-C 3.42Å; S149-A153 VanDerWaalsContact O-CA 3.29Å; S149-A153 WeakPolarHBondContact O-CA 3.19Å; S149-A153 PolarHBondContact O-N 2.99Å; S149-V154 PolarHBondContact N-O 2.88Å; S149-V154 PolarHBondContact O-N 3.42Å
150A98.6Very high98.4Very high2 Ų238.1 Ų38.12%0.01722%0.219CC..THydrogen-bonded Turntrans-59.9-33.1170.600000111.8I22 R25 F31 N119I22-A150 HydrophobicContact CG1-CB 4.15Å; R25-A150 HydrophobicContact CB-CB 4.5Å; R25-A150 PolarHBondContact NE-O 3.42Å; F31-A150 HydrophobicContact CD2-CB 4.09Å; F31-A150 HydrophobicContact CE2-CB 4.22Å; N119-A150 PolarHBondContact OD1-N 3.03Å
151R98.1Very high98.3Very high113 Ų11338 Ų3843%0.42621%0.208SC..THydrogen-bonded Turntrans-62.4-55178.5-173.7-174.3-174.2177.9-0.9111.3R25 F31 D122 S149R25-R151 PolarHBondContact NH2-O 3.16Å; F31-R151 HydrophobicContact CD1-CB 4.36Å; F31-R151 HydrophobicContact CD1-CG 4.13Å; F31-R151 HydrophobicContact CD2-CB 4.32Å; F31-R151 HydrophobicContact CE1-CB 4.07Å; F31-R151 HydrophobicContact CE1-CG 3.84Å; F31-R151 HydrophobicContact CE2-CB 4.02Å; F31-R151 HydrophobicContact CG-CB 4.48Å; F31-R151 HydrophobicContact CZ-CB 3.89Å; F31-R151 HydrophobicContact CZ-CG 4.13Å; D122-R151 WeakPolarHBondContact OD2-CD 3.36Å; D122-R151 IonicContact OD2-NH1 2.77Å; S149-R151 PolarHBondContact O-N 3.18Å; S149-R151 PolarHBondContact OG-N 2.95Å
152N98.1Very high98.3Very high97 Ų9739.9 Ų39.952%0.51922%0.216SC..THydrogen-bonded Turntrans-94.58.9-174.5-64.8-9.1000113.4D122 S149 V154D122-N152 WeakPolarHBondContact CB-ND2 3.39Å; S149-N152 PolarHBondContact O-N 3.33Å; S149-N152 PolarHBondContact OG-N 2.91Å; N152-V154 HydrophobicContact CB-CG2 3.95Å; N152-V154 PolarHBondContact O-N 2.68Å; N152-V154 VanDerWaalsContact O-N 3.12Å
153A98.2Very high98.3Very high45 Ų4535.4 Ų35.437%0.37218%0.178SC..THydrogen-bonded Turntrans58.217.2-175.200000115.3R25 S149 N155R25-A153 HydrophobicContact CG-CB 4.18Å; S149-A153 CarbonylContact O-C 3.42Å; S149-A153 VanDerWaalsContact O-CA 3.29Å; S149-A153 WeakPolarHBondContact O-CA 3.19Å; S149-A153 PolarHBondContact O-N 2.99Å; A153-N155 PolarHBondContact O-N 3.44Å
154V98.8Very high98.2Very high49 Ų4935.1 Ų35.130%0.29718%0.175SC..BIsolated β-bridgetrans-71125.2-177.8177.20000109.6T148 S149 N152 V156T148-V154 WeakPolarHBondContact CA-O 3.41Å; S149-V154 PolarHBondContact N-O 2.88Å; S149-V154 PolarHBondContact O-N 3.42Å; N152-V154 HydrophobicContact CB-CG2 3.95Å; N152-V154 PolarHBondContact O-N 2.68Å; N152-V154 VanDerWaalsContact O-N 3.12Å; V154-V156 PolarHBondContact O-N 3.37Å
155N98.7Very high97.9Very high56 Ų5641.8 Ų41.830%0.29920%0.204SC..THydrogen-bonded Turntrans58.88.6172.8-62.4-14.2000116.3I146 E147 T148 A153 E158 L159I146-N155 HydrophobicContact CD1-CB 3.69Å; I146-N155 HydrophobicContact CG1-CB 3.83Å; E147-N155 VanDerWaalsContact O-CB 3.26Å; E147-N155 WeakPolarHBondContact O-CB 3.3Å; E147-N155 PolarHBondContact O-ND2 2.94Å; T148-N155 HydrophobicContact CG2-CB 4.26Å; A153-N155 PolarHBondContact O-N 3.44Å; N155-E158 PolarHBondContact O-N 2.91Å; N155-E158 PolarHBondContact OD1-OE2 2.89Å; N155-L159 WeakPolarHBondContact O-CB 2.79Å; N155-L159 PolarHBondContact O-N 3.36Å
156V98.7Very high97.6Very high3 Ų346.1 Ų46.12%0.01822%0.224CC..Hα-helixtrans-65.9-48.2178.9172.80000110.6I22 R25 F26 V154 L159 F160I22-V156 HydrophobicContact CG2-CG1 4.27Å; R25-V156 HydrophobicContact CB-CG1 4.21Å; R25-V156 HydrophobicContact CB-CG2 4.47Å; R25-V156 HydrophobicContact CG-CB 4.08Å; R25-V156 HydrophobicContact CG-CG1 3.94Å; R25-V156 HydrophobicContact CG-CG2 3.94Å; F26-V156 HydrophobicContact CB-CG1 3.74Å; V154-V156 PolarHBondContact O-N 3.37Å; V156-L159 WeakPolarHBondContact O-CB 3.48Å; V156-L159 PolarHBondContact O-N 2.91Å; V156-F160 HydrophobicContact CG1-CE2 4.47Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.32Å
157E97.9Very high97.1Very high66 Ų6646.3 Ų46.331%0.30823%0.225SC..Hα-helixtrans-65.9-39.6176.1-170.367.8-149.200111.3F26 K46 L159 F160 Q161F26-E157 VanDerWaalsContact CD2-OE2 3.29Å; F26-E157 WeakPolarHBondContact CD2-OE2 3.43Å; F26-E157 WeakPolarHBondContact CE2-OE2 3.38Å; K46-E157 IonicContact NZ-OE1 3.71Å; K46-E157 IonicContact NZ-OE2 3.93Å; K46-E157 PolarHBondContact NZ-OE2 3.42Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 2.87Å; E157-F160 PolarHBondContact O-N 3.37Å; E157-Q161 HydrophobicContact CG-CG 4.47Å; E157-Q161 WeakPolarHBondContact O-CG 3Å; E157-Q161 PolarHBondContact O-N 3.2Å
158E98.4Very high96.2Very high75 Ų7549.9 Ų49.935%0.3525%0.25SC..Hα-helixtrans-61.6-37.9178.8-171.3-176.8158.200112.2I146 N155 F160 Q161 K162I146-E158 HydrophobicContact CD1-CB 3.82Å; I146-E158 HydrophobicContact CD1-CG 3.73Å; N155-E158 PolarHBondContact O-N 2.91Å; N155-E158 PolarHBondContact OD1-OE2 2.89Å; E158-F160 PolarHBondContact O-N 3.12Å; E158-Q161 PolarHBondContact O-N 3.03Å; E158-K162 HydrophobicContact CG-CG 4.44Å; E158-K162 WeakPolarHBondContact O-CG 3.3Å; E158-K162 PolarHBondContact O-N 2.9Å; E158-K162 WeakPolarHBondContact OE1-CE 3.49Å; E158-K162 IonicContact OE1-NZ 3.53Å; E158-K162 PolarHBondContact OE1-NZ 3.01Å
159L98.8Very high95Very high0 Ų054.4 Ų54.40%028%0.279CS..Hα-helixtrans-54.7-52.3174.6168.360.5000111.2I22 V83 A115 A117 I146 T148 N155 V156 E157 K162 I163I22-L159 HydrophobicContact CG2-CD2 4.26Å; V83-L159 HydrophobicContact CG1-CD1 4.39Å; V83-L159 HydrophobicContact CG1-CD2 3.92Å; A115-L159 HydrophobicContact CB-CD1 3.9Å; A117-L159 HydrophobicContact CB-CD2 4.07Å; I146-L159 HydrophobicContact CG2-CB 3.91Å; I146-L159 HydrophobicContact CG2-CD1 3.61Å; I146-L159 HydrophobicContact CG2-CG 4.22Å; T148-L159 HydrophobicContact CG2-CD2 4.35Å; N155-L159 WeakPolarHBondContact O-CB 2.79Å; N155-L159 PolarHBondContact O-N 3.36Å; V156-L159 WeakPolarHBondContact O-CB 3.48Å; V156-L159 PolarHBondContact O-N 2.91Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 2.87Å; L159-K162 PolarHBondContact O-N 2.91Å; L159-I163 HydrophobicContact CD1-CD1 4.02Å; L159-I163 HydrophobicContact CG-CD1 4.3Å; L159-I163 WeakPolarHBondContact O-CG1 3.47Å; L159-I163 PolarHBondContact O-N 2.95Å; L159-I163 VanDerWaalsContact O-N 3.16Å
160F98.3Very high93.4Very high0 Ų060.4 Ų60.40%031%0.311CS..Hα-helixtrans-70.4-32.8-179.9-69.1-83.8000112.3I22 F26 F57 I59 V156 E157 E158 I163 S164I22-F160 HydrophobicContact CG2-CE2 4.06Å; I22-F160 HydrophobicContact CG2-CZ 4.41Å; F26-F160 HydrophobicContact CB-CD2 3.97Å; F26-F160 HydrophobicContact CB-CE2 3.59Å; F26-F160 HydrophobicContact CB-CZ 4.31Å; F26-F160 HydrophobicContact CD1-CD1 4.07Å; F26-F160 AromaticContact CD1-CD2 3.65Å; F26-F160 HydrophobicContact CD1-CD2 3.65Å; F26-F160 HydrophobicContact CD1-CE1 4.04Å; F26-F160 AromaticContact CD1-CE2 3.64Å; F26-F160 HydrophobicContact CD1-CE2 3.64Å; F26-F160 AromaticContact CD1-CG 3.89Å; F26-F160 HydrophobicContact CD1-CG 3.89Å; F26-F160 AromaticContact CD1-CZ 3.84Å; F26-F160 HydrophobicContact CD1-CZ 3.84Å; F26-F160 HydrophobicContact CD2-CB 4.26Å; F26-F160 AromaticContact CD2-CD2 3.41Å; F26-F160 HydrophobicContact CD2-CD2 3.41Å; F26-F160 VanDerWaalsContact CD2-CD2 3.41Å; F26-F160 AromaticContact CD2-CE2 3.97Å; F26-F160 HydrophobicContact CD2-CE2 3.97Å; F26-F160 AromaticContact CD2-CG 3.97Å; F26-F160 HydrophobicContact CD2-CG 3.97Å; F26-F160 HydrophobicContact CE1-CB 4.13Å; F26-F160 AromaticContact CE1-CD1 3.77Å; F26-F160 HydrophobicContact CE1-CD1 3.77Å; F26-F160 AromaticContact CE1-CD2 3.9Å; F26-F160 HydrophobicContact CE1-CD2 3.9Å; F26-F160 HydrophobicContact CE1-CE1 4.13Å; F26-F160 HydrophobicContact CE1-CE2 4.27Å; F26-F160 AromaticContact CE1-CG 3.65Å; F26-F160 HydrophobicContact CE1-CG 3.65Å; F26-F160 HydrophobicContact CE1-CZ 4.37Å; F26-F160 HydrophobicContact CE2-CB 3.62Å; F26-F160 AromaticContact CE2-CD2 3.68Å; F26-F160 HydrophobicContact CE2-CD2 3.68Å; F26-F160 AromaticContact CE2-CG 3.74Å; F26-F160 HydrophobicContact CE2-CG 3.74Å; F26-F160 AromaticContact CG-CD2 3.39Å; F26-F160 HydrophobicContact CG-CD2 3.39Å; F26-F160 AromaticContact CG-CE2 3.46Å; F26-F160 HydrophobicContact CG-CE2 3.46Å; F26-F160 VanDerWaalsContact CG-CE2 3.46Å; F26-F160 HydrophobicContact CG-CG 4.04Å; F26-F160 HydrophobicContact CG-CZ 4.13Å; F26-F160 HydrophobicContact CZ-CB 3.55Å; F26-F160 HydrophobicContact CZ-CD1 4.09Å; F26-F160 AromaticContact CZ-CD2 3.92Å; F26-F160 HydrophobicContact CZ-CD2 3.92Å; F26-F160 AromaticContact CZ-CG 3.58Å; F26-F160 HydrophobicContact CZ-CG 3.58Å; F57-F160 HydrophobicContact CD1-CD1 4.06Å; F57-F160 HydrophobicContact CE1-CB 4.49Å; F57-F160 HydrophobicContact CE1-CD1 4Å; F57-F160 HydrophobicContact CE2-CB 4.32Å; F57-F160 HydrophobicContact CG-CD1 4.49Å; F57-F160 HydrophobicContact CZ-CB 4.07Å; F57-F160 HydrophobicContact CZ-CD1 4.39Å; F57-F160 WeakPolarHBondContact CZ-O 3.39Å; I59-F160 HydrophobicContact CD1-CE1 4.18Å; V156-F160 HydrophobicContact CG1-CE2 4.47Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.32Å; E157-F160 PolarHBondContact O-N 3.37Å; E158-F160 PolarHBondContact O-N 3.12Å; F160-I163 PolarHBondContact O-N 3.26Å; F160-S164 VanDerWaalsContact O-CB 3.26Å; F160-S164 WeakPolarHBondContact O-CB 3.48Å; F160-S164 PolarHBondContact O-N 3.07Å
161Q96.8Very high91.5Very high85 Ų8569 Ų6940%0.39735%0.35SS..Hα-helixtrans-65.6-37.8172.8-71.3178.85.700112.9E157 E158 S164 K165E157-Q161 HydrophobicContact CG-CG 4.47Å; E157-Q161 WeakPolarHBondContact O-CG 3Å; E157-Q161 PolarHBondContact O-N 3.2Å; E158-Q161 PolarHBondContact O-N 3.03Å; Q161-S164 WeakPolarHBondContact O-CB 3.42Å; Q161-S164 PolarHBondContact O-N 2.97Å; Q161-K165 WeakPolarHBondContact O-CG 3.17Å; Q161-K165 PolarHBondContact O-N 3.08Å; Q161-K165 VanDerWaalsContact O-N 3.12Å
162K97.4Very high88.9Confident71 Ų7170.6 Ų70.631%0.30937%0.367SS..Hα-helixtrans-64.7-44.8174.3-74.5-174.4-175.8175.50111.3I144 I146 E158 L159 S164 K165 Q166I144-K162 HydrophobicContact CD1-CB 4.17Å; I144-K162 HydrophobicContact CG2-CB 3.92Å; I144-K162 HydrophobicContact CG2-CD 3.79Å; I144-K162 HydrophobicContact CG2-CG 4.5Å; I146-K162 HydrophobicContact CD1-CD 4.4Å; E158-K162 HydrophobicContact CG-CG 4.44Å; E158-K162 WeakPolarHBondContact O-CG 3.3Å; E158-K162 PolarHBondContact O-N 2.9Å; E158-K162 WeakPolarHBondContact OE1-CE 3.49Å; E158-K162 IonicContact OE1-NZ 3.53Å; E158-K162 PolarHBondContact OE1-NZ 3.01Å; L159-K162 PolarHBondContact O-N 2.91Å; K162-S164 VanDerWaalsContact C-N 3.32Å; K162-S164 PolarHBondContact O-N 3.06Å; K162-K165 PolarHBondContact O-N 2.87Å; K162-Q166 WeakPolarHBondContact O-CB 2.83Å; K162-Q166 PolarHBondContact O-N 3.11Å
163I97.1Very high86.3Confident0 Ų070.3 Ų70.30%038%0.378CS..Hα-helixtrans-57.7-48.6174.8-68.1165.2000110.3F57 A81 V83 A115 I144 L159 F160 K165 Q166 I167F57-I163 HydrophobicContact CE1-CG2 4.2Å; A81-I163 HydrophobicContact CB-CG2 3.47Å; A81-I163 VanDerWaalsContact CB-CG2 3.47Å; V83-I163 HydrophobicContact CG2-CD1 3.48Å; V83-I163 VanDerWaalsContact CG2-CD1 3.48Å; A115-I163 HydrophobicContact CB-CD1 4.09Å; A115-I163 HydrophobicContact CB-CG1 4.07Å; I144-I163 HydrophobicContact CD1-CG1 4.1Å; L159-I163 HydrophobicContact CD1-CD1 4.02Å; L159-I163 HydrophobicContact CG-CD1 4.3Å; L159-I163 WeakPolarHBondContact O-CG1 3.47Å; L159-I163 PolarHBondContact O-N 2.95Å; L159-I163 VanDerWaalsContact O-N 3.16Å; F160-I163 PolarHBondContact O-N 3.26Å; I163-K165 VanDerWaalsContact C-N 3.26Å; I163-K165 PolarHBondContact O-N 3.29Å; I163-Q166 PolarHBondContact O-N 2.71Å; I163-Q166 VanDerWaalsContact O-N 3.13Å; I163-I167 HydrophobicContact CG2-CD1 3.67Å; I163-I167 HydrophobicContact CG2-CG1 4.37Å; I163-I167 WeakPolarHBondContact O-CG1 3.44Å; I163-I167 PolarHBondContact O-N 3.01Å; I163-I167 VanDerWaalsContact O-N 3.1Å
164S94.9Very high83.6Confident7 Ų776.7 Ų76.75%0.04940%0.4CS..Hα-helixtrans-53.2-40.3178-173.60000113.4C50 H55 F160 Q161 K162C50-S164 WeakPolarHBondContact CB-OG 3.49Å; C50-S164 PolarHBondContact SG-OG 2.84Å; H55-S164 PolarHBondContact CE1-O 3.44Å; H55-S164 PolarHBondContact CE1-OG 2.93Å; H55-S164 PolarHBondContact ND1-OG 3.06Å; F160-S164 VanDerWaalsContact O-CB 3.26Å; F160-S164 WeakPolarHBondContact O-CB 3.48Å; F160-S164 PolarHBondContact O-N 3.07Å; Q161-S164 WeakPolarHBondContact O-CB 3.42Å; Q161-S164 PolarHBondContact O-N 2.97Å; K162-S164 VanDerWaalsContact C-N 3.32Å; K162-S164 PolarHBondContact O-N 3.06Å
165K93.2Very high81Confident160 Ų16080.4 Ų80.470%0.69642%0.423SS*.Hα-helixtrans-80-27.4-179.4-70171.7-176.31760113.4Q161 K162 I163Q161-K165 WeakPolarHBondContact O-CG 3.17Å; Q161-K165 PolarHBondContact O-N 3.08Å; Q161-K165 VanDerWaalsContact O-N 3.12Å; K162-K165 PolarHBondContact O-N 2.87Å; I163-K165 VanDerWaalsContact C-N 3.26Å; I163-K165 PolarHBondContact O-N 3.29Å
166Q93.4Very high78.2Confident120 Ų12086.4 Ų86.456%0.56145%0.449SS*.Hα-helixtrans-82.7-28.9-177.2-164.771.534.100112.4V113 I144 K162 I163 P168V113-Q166 HydrophobicContact CG1-CB 3.98Å; V113-Q166 HydrophobicContact CG1-CG 3.87Å; V113-Q166 HydrophobicContact CG2-CB 4.26Å; V113-Q166 HydrophobicContact CG2-CG 4.01Å; I144-Q166 HydrophobicContact CD1-CB 3.97Å; I144-Q166 HydrophobicContact CD1-CG 4.25Å; K162-Q166 WeakPolarHBondContact O-CB 2.83Å; K162-Q166 PolarHBondContact O-N 3.11Å; I163-Q166 PolarHBondContact O-N 2.71Å; I163-Q166 VanDerWaalsContact O-N 3.13Å; Q166-P168 VanDerWaalsContact O-CD 3.31Å; Q166-P168 WeakPolarHBondContact O-CD 3.12Å
167I87.8Confident75.4Confident11 Ų1191 Ų916%0.05648%0.482CS..SBendtrans-67.5117.2177.9-66.7163.8000108.2R5 L7 A80 A81 V113 I163R5-I167 VanDerWaalsContact NH2-CG2 3.33Å; L7-I167 HydrophobicContact CB-CD1 4.46Å; L7-I167 HydrophobicContact CD1-CD1 3.84Å; L7-I167 HydrophobicContact CD2-CD1 4.07Å; L7-I167 HydrophobicContact CD2-CG2 4.12Å; L7-I167 HydrophobicContact CG-CD1 4.36Å; A80-I167 HydrophobicContact CB-CD1 3.86Å; A80-I167 HydrophobicContact CB-CG1 4.37Å; A80-I167 HydrophobicContact CB-CG2 4.46Å; A81-I167 HydrophobicContact CB-CD1 4.37Å; V113-I167 HydrophobicContact CB-CG1 4.34Å; V113-I167 HydrophobicContact CG2-CG1 3.78Å; I163-I167 HydrophobicContact CG2-CD1 3.67Å; I163-I167 HydrophobicContact CG2-CG1 4.37Å; I163-I167 WeakPolarHBondContact O-CG1 3.44Å; I163-I167 PolarHBondContact O-N 3.01Å; I163-I167 VanDerWaalsContact O-N 3.1Å
168P78.7Confident72.6Confident87 Ų8795.5 Ų95.557%0.56551%0.508SS*.PPolyproline II helixtrans-54.1142.9-178.3-2432.7000110.5R5 Q166R5-P168 PolarHBondContact NH1-O 3.22Å; R5-P168 PolarHBondContact NH2-O 2.86Å; Q166-P168 VanDerWaalsContact O-CD 3.31Å; Q166-P168 WeakPolarHBondContact O-CD 3.12Å
169P73.8Confident70Confident95 Ų9598.9 Ų98.962%0.61753%0.528SS*.PPolyproline II helixtrans-53.6150171.223.2-31.4000109.5Q171P169-Q171 PolarHBondContact O-N 3.35Å
170L66.4Low67.4Low127 Ų127102.7 Ų102.767%0.66556%0.555SS**  trans-56.1113.6167.1-71.7166.6000105.5R5 N172R5-L170 HydrophobicContact CG-CD1 4.38Å; L170-N172 PolarHBondContact O-N 3.25Å
171Q57.3Low64.8Low182 Ų182112.5 Ų112.585%0.8560%0.598SS**  trans-54.8118.4159.6-68.8179.214.600103P169 A173P169-Q171 PolarHBondContact O-N 3.35Å; Q171-A173 VanDerWaalsContact C-N 3.32Å; Q171-A173 PolarHBondContact O-N 3.28Å
172N45Very low62.3Low147 Ų147116.9 Ų116.979%0.78662%0.616SS**  trans-47.3117157.5-71.2-40.2000102.6L170 E174L170-N172 PolarHBondContact O-N 3.25Å; N172-E174 PolarHBondContact O-N 3.11Å
173A43.4Very low59.6Low90 Ų90121.7 Ų121.774%0.74464%0.644SS**  trans-52.3102163.100000102.7Q171 V175Q171-A173 VanDerWaalsContact C-N 3.32Å; Q171-A173 PolarHBondContact O-N 3.28Å; A173-V175 PolarHBondContact O-N 3.27Å
174E40.4Very low57.1Low179 Ų179127.9 Ų127.984%0.83668%0.682SS**  trans-52.4113163-74.4-172.8165.700101.2N172 E176N172-E174 PolarHBondContact O-N 3.11Å; E174-E176 PolarHBondContact O-N 3.3Å
175V44Very low54.8Low127 Ų127138.8 Ų138.877%0.7772%0.722SS**  trans-53.599.2168174.80000102.2A173 S177A173-V175 PolarHBondContact O-N 3.27Å; V175-S177 PolarHBondContact O-N 3.12Å
176E40.1Very low52.7Low182 Ų182136.3 Ų136.385%0.8572%0.722SS**  trans-52.5103.6162.9-82.3-173.1162.500102.9E174 N178E174-E176 PolarHBondContact O-N 3.3Å; E176-N178 PolarHBondContact O-N 3.07Å
177S39.8Very low50.6Low101 Ų101136.5 Ų136.571%0.70673%0.734SS**  trans-48.3119.2179.4460000106V175 D179V175-S177 PolarHBondContact O-N 3.12Å; S177-D179 VanDerWaalsContact C-N 3.31Å; S177-D179 PolarHBondContact O-N 3.39Å
178N40.8Very low48.7Very low160 Ų160143.2 Ų143.286%0.85677%0.77SS**  trans-34.895.8170.4-82.5-43.5000110E176 S180E176-N178 PolarHBondContact O-N 3.07Å; N178-S180 VanDerWaalsContact C-N 3.27Å; N178-S180 PolarHBondContact O-N 2.96Å
179D43.5Very low47.3Very low146 Ų146144.9 Ų144.978%0.78178%0.781SS**  trans-74.3100.7161.5-159.59000104.1S177 F181S177-D179 VanDerWaalsContact C-N 3.31Å; S177-D179 PolarHBondContact O-N 3.39Å; D179-F181 PolarHBondContact O-N 2.91Å
180S43.7Very low46.1Very low80 Ų80146.3 Ų146.356%0.55979%0.788SS**  trans-48.4104.4178.445.90000109.4N178 K182N178-S180 VanDerWaalsContact C-N 3.27Å; N178-S180 PolarHBondContact O-N 2.96Å; S180-K182 PolarHBondContact O-N 3.2Å
181F42.8Very low45.5Very low206 Ų206147 Ų14790%0.90480%0.797SS**  trans-60.292.3162.4-100.3-94.3000107.4D179 L183D179-F181 PolarHBondContact O-N 2.91Å; F181-L183 PolarHBondContact O-N 3.02Å
182K44.5Very low45.1Very low177 Ų177149.5 Ų149.577%0.7780%0.799SS**  trans-67.699.2167.8-73.3-174.8-179.3176.60107.2S180 T184S180-K182 PolarHBondContact O-N 3.2Å; K182-T184 PolarHBondContact O-N 2.95Å
183L41.3Very low45.5Very low172 Ų172154.1 Ų154.190%0.90181%0.806SS**  trans-62.787160-89146.9000108.4F181 R185F181-L183 PolarHBondContact O-N 3.02Å; L183-R185 PolarHBondContact O-N 2.96Å
184T45.4Very low45.9Very low129 Ų129156 Ų15679%0.79181%0.812SS**  trans-65.1111.316126.70000108.1K182K182-T184 PolarHBondContact O-N 2.95Å
185R44.9Very low46.4Very low236 Ų236157.3 Ų157.389%0.89184%0.838SS**PPolyproline II helixtrans-50.6130.5166.8-96176.9164.6173.7-4.4109.2L183L183-R185 PolarHBondContact O-N 2.96Å
186P50.2Low46.5Very low109 Ų109158.8 Ų158.871%0.70884%0.841SS**PPolyproline II helixtrans-64.4142.5167.726.4-31.5000109.5
187P48.5Very low46.9Very low124 Ų124157.6 Ų157.681%0.80584%0.841SS**PPolyproline II helixtrans-67.3139.5176.927.3-32.5000110.8
188N47.3Very low47.3Very low152 Ų152160.7 Ų160.781%0.81385%0.848SS**PPolyproline II helixtrans-57.7134.6175.3-82.5-19.5000111T190N188-T190 PolarHBondContact O-N 2.93Å
189P51.2Low47.7Very low122 Ų122160.8 Ų160.879%0.79285%0.848SS**PPolyproline II helixtrans-68.9119.117226.7-31.2000110T191P189-T191 PolarHBondContact O-N 3.09Å
190T48.6Very low47.9Very low124 Ų124161.7 Ų161.776%0.76185%0.852SS**PPolyproline II helixtrans-61.6125.8168.644.50000110.2N188 R192N188-T190 PolarHBondContact O-N 2.93Å; T190-R192 PolarHBondContact O-N 3.16Å
191T52.2Low48.2Very low142 Ų142167.1 Ų167.187%0.87187%0.872SS**  trans-58.2113.8170.337.40000110.8P189P189-T191 PolarHBondContact O-N 3.09Å
192R50.4Low48.6Very low234 Ų234164.4 Ų164.488%0.88387%0.87SS**PPolyproline II helixtrans-93.3120.2162.8-75.7-171.7-179.9-171.10.9108.9T190T190-R192 PolarHBondContact O-N 3.16Å
193R52.9Low48.9Very low245 Ų245163.4 Ų163.493%0.92588%0.877SS**PPolyproline II helixtrans-64.5129.2164.4-76.5176.5176178.7-2108.6
194C51.8Low49.5Very low130 Ų130162.7 Ų162.788%0.87888%0.875SS**PPolyproline II helixtrans-80139.3161.1-77.20000109.5
195C51.1Low49.9Very low205 Ų205165.7 Ų165.7100%1.38588%0.883SS**  trans-87.50156.4-65.90000109

Retrieved 195 of 195 residues in 144.1 ms (Link to these results)

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