G4VJK7_SCHMA Loading...

Putative beta-1,4-galactosyltransferase

AlphaFold DB , UniProt , Accession G4VJK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 261 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
1M98.2Very high97.6Very high9 Ų929.8 Ų29.84%0.04414%0.136CC..  01360-177.9179.258.500108.4V3 L25 V30 R31 H32 T33 Y92 A94 Y109M1-V3 HydrophobicContact CE-CG2 3.67Å; M1-L25 HydrophobicContact CE-CD1 3.78Å; M1-L25 HydrophobicContact CE-CD2 3.93Å; M1-V30 HydrophobicContact CB-CG1 4.4Å; M1-V30 HydrophobicContact CE-CG1 4.06Å; M1-R31 PolarHBondContact N-O 2.98Å; M1-H32 HydrophobicContact CE-CB 4.29Å; M1-H32 VanDerWaalsContact O-CA 3.24Å; M1-H32 WeakPolarHBondContact O-CA 3.47Å; M1-T33 PolarHBondContact O-N 3.32Å; M1-Y92 WeakPolarHBondContact CA-O 3.36Å; M1-Y92 HydrophobicContact CB-CD1 4.48Å; M1-Y92 HydrophobicContact CB-CD2 4.23Å; M1-Y92 HydrophobicContact CB-CE1 3.97Å; M1-Y92 HydrophobicContact CB-CE2 3.75Å; M1-Y92 HydrophobicContact CG-CD2 3.71Å; M1-Y92 HydrophobicContact CG-CE1 4.49Å; M1-Y92 HydrophobicContact CG-CE2 3.47Å; M1-Y92 VanDerWaalsContact CG-CE2 3.47Å; M1-Y92 HydrophobicContact CG-CG 4.38Å; M1-Y92 HydrophobicContact SD-CD2 3.93Å; M1-Y92 HydrophobicContact SD-CE2 3.29Å; M1-Y92 WeakPolarHBondContact SD-CE2 3.43Å; M1-A94 HydrophobicContact CE-CB 4.18Å; M1-A94 HydrophobicContact CG-CB 4.27Å; M1-A94 HydrophobicContact SD-CB 3.58Å; M1-A94 VanDerWaalsContact SD-CB 3.58Å; M1-Y109 HydrophobicContact CE-CD1 3.94Å; M1-Y109 HydrophobicContact SD-CD1 4.27Å
2A98.7Very high97.4Very high0 Ų033.8 Ų33.80%016%0.164CC..EExtended strand (participates in β ladder)trans-89120.4166.800000109L4 F35 Y92 L93 A94A2-L4 HydrophobicContact CB-CD2 4.07Å; A2-F35 HydrophobicContact CB-CD2 3.97Å; A2-F35 HydrophobicContact CB-CE2 3.84Å; A2-Y92 PolarHBondContact N-O 2.8Å; A2-L93 HydrophobicContact CB-CD2 3.88Å; A2-L93 CarbonylContact O-C 3.51Å; A2-L93 WeakPolarHBondContact O-CA 3.31Å; A2-A94 PolarHBondContact O-N 3.35Å
3V98.9Very high97.4Very high0 Ų031.5 Ų31.50%015%0.154CC..EExtended strand (participates in β ladder)trans-89.6110.6173.9-176.70000107.4M1 V5 F17 L21 L25 H32 T33 F34 F35 H96M1-V3 HydrophobicContact CE-CG2 3.67Å; V3-V5 HydrophobicContact CG1-CG2 4.02Å; V3-F17 HydrophobicContact CG1-CZ 4.2Å; V3-L21 HydrophobicContact CG1-CD2 4.07Å; V3-L25 HydrophobicContact CG2-CD1 4.19Å; V3-H32 HydrophobicContact CG2-CB 4.32Å; V3-T33 PolarHBondContact N-O 3.02Å; V3-F34 HydrophobicContact CB-CD1 3.89Å; V3-F34 HydrophobicContact CB-CE1 4.3Å; V3-F34 HydrophobicContact CG1-CD1 3.94Å; V3-F34 HydrophobicContact CG1-CE1 4.18Å; V3-F34 HydrophobicContact CG2-CD1 4.28Å; V3-F34 HydrophobicContact CG2-CE1 4.26Å; V3-F35 PolarHBondContact O-N 2.83Å; V3-H96 HydrophobicContact CG1-CB 4.11Å
4L98.9Very high97.4Very high0 Ų029.4 Ų29.40%014%0.143CC..EExtended strand (participates in β ladder)trans-99.8115.9-177.2-52.1-173.3000109.1A2 F35 L51 G54 A55 L93 A94 L95 H96A2-L4 HydrophobicContact CB-CD2 4.07Å; L4-F35 HydrophobicContact CD2-CB 3.98Å; L4-F35 HydrophobicContact CD2-CD2 4.23Å; L4-F35 HydrophobicContact CD2-CG 4.33Å; L4-L51 HydrophobicContact CB-CD2 3.87Å; L4-G54 WeakPolarHBondContact CD2-O 3.44Å; L4-A55 HydrophobicContact CD1-CB 4.2Å; L4-L93 HydrophobicContact CD1-CB 4.35Å; L4-L93 HydrophobicContact CD1-CD1 3.99Å; L4-L93 HydrophobicContact CD1-CD2 4.1Å; L4-L93 HydrophobicContact CD1-CG 4.37Å; L4-L93 HydrophobicContact CG-CD2 4.44Å; L4-A94 PolarHBondContact N-O 2.98Å; L4-L95 HydrophobicContact CD1-CD2 4Å; L4-H96 PolarHBondContact O-N 3.19Å
5V98.8Very high97.4Very high0 Ų033.8 Ų33.80%016%0.163CC..EExtended strand (participates in β ladder)trans-115.7104.9-176-173.20000109.1V3 F7 F17 F35 I36 I37 V98V3-V5 HydrophobicContact CG1-CG2 4.02Å; V5-F7 PolarHBondContact O-N 3.26Å; V5-F17 HydrophobicContact CG2-CE1 3.61Å; V5-F17 HydrophobicContact CG2-CZ 3.81Å; V5-F35 PolarHBondContact N-O 3.02Å; V5-I36 HydrophobicContact CB-CD1 3.76Å; V5-I36 HydrophobicContact CG1-CD1 4.31Å; V5-I36 HydrophobicContact CG2-CD1 3.78Å; V5-I37 PolarHBondContact O-N 3.14Å; V5-V98 HydrophobicContact CG1-CB 3.67Å; V5-V98 HydrophobicContact CG1-CG2 4.08Å
6P98.8Very high97.4Very high7 Ų736.7 Ų36.75%0.04518%0.176CC..EExtended strand (participates in β ladder)trans-69.5126.5173.330.7-29.8000108.1F45 R47 L50 L51 H96P6-F45 HydrophobicContact CB-CZ 3.9Å; P6-R47 HydrophobicContact CB-CG 4.19Å; P6-R47 HydrophobicContact CG-CG 3.83Å; P6-L50 HydrophobicContact CB-CB 3.83Å; P6-L50 HydrophobicContact CB-CD1 3.95Å; P6-L51 HydrophobicContact CB-CG 4.45Å; P6-L51 HydrophobicContact CG-CD2 4.19Å; P6-L51 HydrophobicContact CG-CG 4.25Å; P6-H96 VanDerWaalsContact CD-O 3.29Å; P6-H96 WeakPolarHBondContact CD-O 3.43Å
7F98.6Very high97.5Very high13 Ų1334.5 Ų34.56%0.05717%0.166CC..EExtended strand (participates in β ladder)trans-140138.4-162.6-170.1-93.8000113.1V5 R10 L14 I36 I37 N38 Q39 V98V5-F7 PolarHBondContact O-N 3.26Å; F7-R10 HydrophobicContact CD2-CB 4.18Å; F7-R10 HydrophobicContact CE2-CB 3.58Å; F7-R10 VanDerWaalsContact CE2-O 3.24Å; F7-R10 WeakPolarHBondContact CE2-O 3.46Å; F7-R10 VanDerWaalsContact CZ-C 3.48Å; F7-R10 HydrophobicContact CZ-CB 4.11Å; F7-L14 HydrophobicContact CD2-CD1 4.47Å; F7-L14 HydrophobicContact CE2-CB 3.81Å; F7-L14 HydrophobicContact CE2-CD1 4.24Å; F7-L14 HydrophobicContact CE2-CD2 3.97Å; F7-L14 HydrophobicContact CE2-CG 4.23Å; F7-L14 HydrophobicContact CZ-CB 4.22Å; F7-L14 HydrophobicContact CZ-CD2 3.96Å; F7-I36 HydrophobicContact CB-CG2 3.54Å; F7-I36 HydrophobicContact CD1-CG2 3.9Å; F7-I36 HydrophobicContact CD2-CG2 3.9Å; F7-I36 HydrophobicContact CG-CG2 3.49Å; F7-I36 VanDerWaalsContact CG-CG2 3.49Å; F7-I37 PolarHBondContact N-O 3.13Å; F7-N38 HydrophobicContact CD1-CB 4.22Å; F7-N38 WeakPolarHBondContact O-CA 3.2Å; F7-Q39 PolarHBondContact O-N 2.92Å; F7-V98 HydrophobicContact CD2-CG2 4.39Å; F7-V98 HydrophobicContact CE2-CG2 4.37Å
8R97.3Very high97.5Very high22 Ų2232.6 Ų32.68%0.08316%0.157CC..SBendtrans-165.3129.6163.8-179.4-174.4-75.8164.4-16.1108.6R10 Q39 D41 L43 F45R8-R10 WeakPolarHBondContact O-CG 3.46Å; R8-R10 PolarHBondContact O-N 3.23Å; R8-R10 PolarHBondContact O-NH1 3.17Å; R8-Q39 PolarHBondContact NE-O 3.27Å; R8-D41 PolarHBondContact NH2-O 2.91Å; R8-D41 IonicContact NH2-OD1 3.14Å; R8-D41 PolarHBondContact NH2-OD1 3.26Å; R8-L43 VanDerWaalsContact CZ-O 3.31Å; R8-L43 PolarHBondContact NH1-O 3.32Å; R8-L43 PolarHBondContact NH2-O 2.77Å; R8-F45 HydrophobicContact CB-CD2 3.85Å; R8-F45 HydrophobicContact CB-CE2 3.91Å
9D95.1Very high97.6Very high96 Ų9632.8 Ų32.851%0.51316%0.161SC..SBendtrans51.945.4172.5-50.8-28.8000114.2H200 K260D9-H200 PolarHBondContact O-CE1 2.84Å; D9-K260 IonicContact OD2-NZ 3.17Å; D9-K260 PolarHBondContact OD2-NZ 2.96Å
10R95.3Very high97.7Very high60 Ų6033.3 Ų33.323%0.22616%0.163CC..  trans-133.338.7179-64.8-65.2-178.6-74-4.1112.6F7 R8 T12 E13 L14 V98 H200F7-R10 HydrophobicContact CD2-CB 4.18Å; F7-R10 HydrophobicContact CE2-CB 3.58Å; F7-R10 VanDerWaalsContact CE2-O 3.24Å; F7-R10 WeakPolarHBondContact CE2-O 3.46Å; F7-R10 VanDerWaalsContact CZ-C 3.48Å; F7-R10 HydrophobicContact CZ-CB 4.11Å; R8-R10 WeakPolarHBondContact O-CG 3.46Å; R8-R10 PolarHBondContact O-N 3.23Å; R8-R10 PolarHBondContact O-NH1 3.17Å; R10-T12 VanDerWaalsContact C-N 3.34Å; R10-T12 PolarHBondContact O-N 3.28Å; R10-E13 WeakPolarHBondContact CA-OE2 3.44Å; R10-E13 HydrophobicContact CB-CB 4.39Å; R10-E13 WeakPolarHBondContact CB-OE2 3.34Å; R10-E13 WeakPolarHBondContact CD-OE1 3.42Å; R10-E13 PolarHBondContact O-N 2.98Å; R10-L14 WeakPolarHBondContact O-CB 3.34Å; R10-L14 PolarHBondContact O-N 2.8Å; R10-V98 HydrophobicContact CB-CG1 3.79Å; R10-V98 HydrophobicContact CG-CG1 4.03Å; R10-H200 VanDerWaalsContact CZ-CG 3.49Å; R10-H200 VanDerWaalsContact CZ-ND1 3.3Å; R10-H200 PolarHBondContact NE-ND1 2.87Å; R10-H200 PolarHBondContact NH1-ND1 3.06Å; R10-H200 VanDerWaalsContact NH1-ND1 3.15Å
11F94.7Very high97.7Very high121 Ų12131.7 Ų31.753%0.53116%0.155SC..Hα-helixtrans-65.6-37.2-170.7-173.1-104.6000112.5L14 Q15F11-L14 HydrophobicContact CD2-CD2 4.43Å; F11-L14 WeakPolarHBondContact O-CB 3.4Å; F11-L14 PolarHBondContact O-N 2.74Å; F11-Q15 HydrophobicContact CD1-CG 4.22Å; F11-Q15 VanDerWaalsContact CE1-CD 3.49Å; F11-Q15 HydrophobicContact CE1-CG 3.87Å; F11-Q15 HydrophobicContact CZ-CG 4.14Å; F11-Q15 WeakPolarHBondContact O-CG 3.34Å; F11-Q15 PolarHBondContact O-N 3.49Å
12T95.3Very high97.7Very high77 Ų7732.8 Ų32.847%0.47216%0.161SC..Hα-helixtrans-59.8-47.6174.8-51.60000111.1R10 L14 Q15 E16R10-T12 VanDerWaalsContact C-N 3.34Å; R10-T12 PolarHBondContact O-N 3.28Å; T12-L14 VanDerWaalsContact C-N 3.31Å; T12-L14 PolarHBondContact O-N 3.07Å; T12-Q15 WeakPolarHBondContact O-CB 3.44Å; T12-Q15 PolarHBondContact O-N 3.33Å; T12-E16 PolarHBondContact O-N 3.42Å
13E97.3Very high97.7Very high5 Ų537.2 Ų37.22%0.02319%0.185CC..Hα-helixtrans-63.9-38.5176-6389.9155.200111.5R10 Q15 E16 F17 V98 D99 I194 H200R10-E13 WeakPolarHBondContact CA-OE2 3.44Å; R10-E13 HydrophobicContact CB-CB 4.39Å; R10-E13 WeakPolarHBondContact CB-OE2 3.34Å; R10-E13 WeakPolarHBondContact CD-OE1 3.42Å; R10-E13 PolarHBondContact O-N 2.98Å; E13-Q15 VanDerWaalsContact C-N 3.26Å; E13-Q15 PolarHBondContact O-N 2.92Å; E13-E16 PolarHBondContact O-N 3.22Å; E13-E16 VanDerWaalsContact O-N 3.16Å; E13-F17 WeakPolarHBondContact O-CB 3.45Å; E13-F17 PolarHBondContact O-N 2.85Å; E13-V98 HydrophobicContact CB-CG1 4.23Å; E13-V98 HydrophobicContact CB-CG2 4.23Å; E13-D99 HydrophobicContact CG-CB 4.3Å; E13-I194 HydrophobicContact CB-CD1 3.89Å; E13-I194 HydrophobicContact CG-CD1 3.97Å; E13-I194 HydrophobicContact CG-CG1 4.18Å; E13-I194 WeakPolarHBondContact CG-O 3.33Å; E13-H200 IonicContact OE1-CD2 3.2Å; E13-H200 PolarHBondContact OE1-CD2 2.92Å; E13-H200 IonicContact OE1-CE1 2.65Å; E13-H200 IonicContact OE1-CG 3.41Å; E13-H200 IonicContact OE1-NE2 3.5Å; E13-H200 PolarHBondContact OE1-NE2 3.38Å; E13-H200 IonicContact OE2-NE2 3.75Å
14L97.7Very high97.7Very high1 Ų138.2 Ų38.21%0.00519%0.189CC..Hα-helixtrans-60.8-36.5176.8-16764.7000112.3F7 R10 F11 T12 E16 F17 I18 I36 V98 I238F7-L14 HydrophobicContact CD2-CD1 4.47Å; F7-L14 HydrophobicContact CE2-CB 3.81Å; F7-L14 HydrophobicContact CE2-CD1 4.24Å; F7-L14 HydrophobicContact CE2-CD2 3.97Å; F7-L14 HydrophobicContact CE2-CG 4.23Å; F7-L14 HydrophobicContact CZ-CB 4.22Å; F7-L14 HydrophobicContact CZ-CD2 3.96Å; R10-L14 WeakPolarHBondContact O-CB 3.34Å; R10-L14 PolarHBondContact O-N 2.8Å; F11-L14 HydrophobicContact CD2-CD2 4.43Å; F11-L14 WeakPolarHBondContact O-CB 3.4Å; F11-L14 PolarHBondContact O-N 2.74Å; T12-L14 VanDerWaalsContact C-N 3.31Å; T12-L14 PolarHBondContact O-N 3.07Å; L14-E16 VanDerWaalsContact C-N 3.33Å; L14-F17 HydrophobicContact CD1-CD1 4.34Å; L14-F17 PolarHBondContact O-N 3.45Å; L14-I18 HydrophobicContact CD1-CD1 4.03Å; L14-I18 HydrophobicContact CD1-CG1 3.99Å; L14-I18 HydrophobicContact CG-CD1 4.18Å; L14-I18 HydrophobicContact CG-CG1 4.33Å; L14-I18 PolarHBondContact O-N 3.15Å; L14-I36 HydrophobicContact CD1-CD1 3.63Å; L14-I36 HydrophobicContact CD1-CG1 4.07Å; L14-I36 HydrophobicContact CD1-CG2 4.36Å; L14-I36 HydrophobicContact CD2-CG1 4.47Å; L14-I36 HydrophobicContact CD2-CG2 4.26Å; L14-V98 HydrophobicContact CB-CG2 4.24Å; L14-V98 HydrophobicContact CD1-CG2 3.91Å; L14-I238 HydrophobicContact CB-CD1 4.48Å; L14-I238 HydrophobicContact CD2-CD1 3.97Å; L14-I238 HydrophobicContact CG-CD1 3.75Å
15Q97.4Very high97.7Very high96 Ų9638.2 Ų38.245%0.44919%0.189SC..Hα-helixtrans-65.5-34.3177-71.8179.8-61.300112.7F11 T12 E13 P19F11-Q15 HydrophobicContact CD1-CG 4.22Å; F11-Q15 VanDerWaalsContact CE1-CD 3.49Å; F11-Q15 HydrophobicContact CE1-CG 3.87Å; F11-Q15 HydrophobicContact CZ-CG 4.14Å; F11-Q15 WeakPolarHBondContact O-CG 3.34Å; F11-Q15 PolarHBondContact O-N 3.49Å; T12-Q15 WeakPolarHBondContact O-CB 3.44Å; T12-Q15 PolarHBondContact O-N 3.33Å; E13-Q15 VanDerWaalsContact C-N 3.26Å; E13-Q15 PolarHBondContact O-N 2.92Å; Q15-P19 WeakPolarHBondContact O-CD 3.43Å; Q15-P19 WeakPolarHBondContact O-CG 3.28Å
16E97.7Very high97.6Very high80 Ų8041.8 Ų41.837%0.37421%0.208SC..Hα-helixtrans-79.3-41.4172.8-69.6-170.1-128.600111.9T12 E13 L14 P19 H20 R192 I194T12-E16 PolarHBondContact O-N 3.42Å; E13-E16 PolarHBondContact O-N 3.22Å; E13-E16 VanDerWaalsContact O-N 3.16Å; L14-E16 VanDerWaalsContact C-N 3.33Å; E16-P19 WeakPolarHBondContact O-CD 3.1Å; E16-H20 WeakPolarHBondContact O-CB 3.11Å; E16-H20 PolarHBondContact O-N 3.5Å; E16-R192 IonicContact OE2-NH1 3.75Å; E16-R192 PolarHBondContact OE2-NH1 2.75Å; E16-I194 HydrophobicContact CB-CD1 3.85Å; E16-I194 HydrophobicContact CG-CD1 4.48Å
17F98.6Very high97.6Very high0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-60.5-53-173.1175.3-96.8000113.6V3 V5 E13 L14 H20 L21 F34 H96 V98 L101V3-F17 HydrophobicContact CG1-CZ 4.2Å; V5-F17 HydrophobicContact CG2-CE1 3.61Å; V5-F17 HydrophobicContact CG2-CZ 3.81Å; E13-F17 WeakPolarHBondContact O-CB 3.45Å; E13-F17 PolarHBondContact O-N 2.85Å; L14-F17 HydrophobicContact CD1-CD1 4.34Å; L14-F17 PolarHBondContact O-N 3.45Å; F17-H20 PolarHBondContact O-N 3.25Å; F17-L21 HydrophobicContact CE1-CD2 4.09Å; F17-L21 HydrophobicContact CE2-CB 4.47Å; F17-L21 HydrophobicContact CE2-CD2 3.69Å; F17-L21 HydrophobicContact CZ-CB 4.5Å; F17-L21 HydrophobicContact CZ-CD2 3.34Å; F17-L21 WeakPolarHBondContact O-CB 3.48Å; F17-L21 PolarHBondContact O-N 2.97Å; F17-F34 HydrophobicContact CE1-CD1 4.03Å; F17-F34 AromaticContact CE1-CE1 4Å; F17-F34 HydrophobicContact CE1-CE1 4Å; F17-H96 AromaticContact CE2-CE1 3.66Å; F17-H96 AromaticContact CE2-ND1 3.43Å; F17-H96 WeakPolarHBondContact CE2-ND1 3.22Å; F17-H96 HydrophobicContact CZ-CB 4.41Å; F17-H96 AromaticContact CZ-CG 3.98Å; F17-H96 AromaticContact CZ-ND1 3.88Å; F17-V98 HydrophobicContact CB-CG2 3.93Å; F17-V98 WeakPolarHBondContact CB-O 3.09Å; F17-V98 HydrophobicContact CD1-CG2 4.31Å; F17-V98 HydrophobicContact CD2-CG2 4.45Å; F17-V98 VanDerWaalsContact CD2-O 3.26Å; F17-V98 WeakPolarHBondContact CD2-O 3.32Å; F17-V98 HydrophobicContact CG-CG2 3.98Å; F17-L101 HydrophobicContact CB-CD2 4.23Å; F17-L101 HydrophobicContact CD2-CD2 3.8Å; F17-L101 HydrophobicContact CG-CD2 4.47Å
18I98.7Very high97.5Very high0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-60.5-54.8-174.4-65-166.4000112.1L14 H20 N22 F34 I238 I241 A243L14-I18 HydrophobicContact CD1-CD1 4.03Å; L14-I18 HydrophobicContact CD1-CG1 3.99Å; L14-I18 HydrophobicContact CG-CD1 4.18Å; L14-I18 HydrophobicContact CG-CG1 4.33Å; L14-I18 PolarHBondContact O-N 3.15Å; I18-H20 PolarHBondContact O-N 3.4Å; I18-N22 WeakPolarHBondContact O-CB 3.2Å; I18-N22 PolarHBondContact O-N 3.33Å; I18-F34 HydrophobicContact CG2-CD2 4.38Å; I18-F34 HydrophobicContact CG2-CE2 4.29Å; I18-I238 HydrophobicContact CB-CB 4.17Å; I18-I238 HydrophobicContact CB-CG2 4.29Å; I18-I238 HydrophobicContact CD1-CB 4.18Å; I18-I238 HydrophobicContact CD1-CD1 3.64Å; I18-I238 HydrophobicContact CD1-CG1 3.99Å; I18-I238 HydrophobicContact CG1-CD1 4.26Å; I18-I238 HydrophobicContact CG2-CB 4.17Å; I18-I241 HydrophobicContact CG2-CB 3.81Å; I18-I241 HydrophobicContact CG2-CD1 4.26Å; I18-I241 HydrophobicContact CG2-CG2 3.63Å; I18-A243 HydrophobicContact CD1-CB 3.62Å
19P98.6Very high97.5Very high36 Ų3654 Ų5423%0.23427%0.274CS..Hα-helixtrans-63.7-39.917923-32.1000113.2Q15 E16 N23 I241Q15-P19 WeakPolarHBondContact O-CD 3.43Å; Q15-P19 WeakPolarHBondContact O-CG 3.28Å; E16-P19 WeakPolarHBondContact O-CD 3.1Å; P19-N23 WeakPolarHBondContact O-CB 3.41Å; P19-N23 PolarHBondContact O-N 3.34Å; P19-N23 VanDerWaalsContact O-N 3.09Å; P19-I241 HydrophobicContact CB-CD1 4.03Å
20H98.7Very high97.7Very high42 Ų4249.9 Ų49.919%0.19425%0.253CS..Hα-helixtrans-61.7-55.7178.7-175.596.6000111.3E16 F17 I18 N22 N23 F24 L101 P102 E103E16-H20 WeakPolarHBondContact O-CB 3.11Å; E16-H20 PolarHBondContact O-N 3.5Å; F17-H20 PolarHBondContact O-N 3.25Å; I18-H20 PolarHBondContact O-N 3.4Å; H20-N22 PolarHBondContact O-N 2.81Å; H20-N23 PolarHBondContact O-N 2.95Å; H20-F24 WeakPolarHBondContact O-CB 3.44Å; H20-F24 PolarHBondContact O-N 3.09Å; H20-L101 HydrophobicContact CB-CD1 4.42Å; H20-L101 HydrophobicContact CB-CD2 4.35Å; H20-P102 PolarHBondContact NE2-O 3.23Å; H20-E103 IonicContact CE1-OE1 3Å; H20-E103 PolarHBondContact CE1-OE1 3.13Å; H20-E103 IonicContact CE1-OE2 3.56Å
21L98.7Very high97.8Very high0 Ų056.7 Ų56.70%028%0.278CS..Hα-helixtrans-68.8-35.5-176.6-172.456.8000111.6V3 F17 F24 L25 F34 P102 Y109V3-L21 HydrophobicContact CG1-CD2 4.07Å; F17-L21 HydrophobicContact CE1-CD2 4.09Å; F17-L21 HydrophobicContact CE2-CB 4.47Å; F17-L21 HydrophobicContact CE2-CD2 3.69Å; F17-L21 HydrophobicContact CZ-CB 4.5Å; F17-L21 HydrophobicContact CZ-CD2 3.34Å; F17-L21 WeakPolarHBondContact O-CB 3.48Å; F17-L21 PolarHBondContact O-N 2.97Å; L21-F24 HydrophobicContact CD1-CB 4.5Å; L21-F24 HydrophobicContact CD1-CD1 4.41Å; L21-F24 PolarHBondContact O-N 2.94Å; L21-L25 HydrophobicContact CD1-CD1 4.12Å; L21-L25 HydrophobicContact CD1-CD2 4.24Å; L21-L25 HydrophobicContact CD1-CG 3.86Å; L21-L25 HydrophobicContact CD2-CD1 4.43Å; L21-L25 HydrophobicContact CG-CD1 3.83Å; L21-L25 HydrophobicContact CG-CG 4.05Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.48Å; L21-F34 HydrophobicContact CB-CE1 4.25Å; L21-F34 HydrophobicContact CB-CZ 4.36Å; L21-F34 HydrophobicContact CD2-CE1 3.99Å; L21-F34 HydrophobicContact CG-CE1 4.19Å; L21-F34 HydrophobicContact CG-CZ 4.47Å; L21-P102 HydrophobicContact CD1-CG 3.88Å; L21-Y109 HydrophobicContact CD1-CE1 4.14Å; L21-Y109 HydrophobicContact CD1-CE2 4.44Å
22N98.7Very high97.9Very high33 Ų3352.5 Ų52.518%0.17626%0.26CS..Hα-helixtrans-59.7-48.1174.3175.476.9000111.7I18 H20 L25 N26 H32 F34 I241I18-N22 WeakPolarHBondContact O-CB 3.2Å; I18-N22 PolarHBondContact O-N 3.33Å; H20-N22 PolarHBondContact O-N 2.81Å; N22-L25 PolarHBondContact O-N 2.96Å; N22-N26 PolarHBondContact ND2-ND2 2.88Å; N22-N26 VanDerWaalsContact O-CB 3.31Å; N22-N26 WeakPolarHBondContact O-CB 3.41Å; N22-N26 PolarHBondContact O-N 2.95Å; N22-N26 PolarHBondContact O-ND2 2.75Å; N22-N26 VanDerWaalsContact O-ND2 3.13Å; N22-N26 PolarHBondContact OD1-ND2 2.92Å; N22-H32 PolarHBondContact OD1-NE2 2.97Å; N22-H32 VanDerWaalsContact OD1-NE2 3.15Å; N22-F34 HydrophobicContact CB-CE2 4.02Å; N22-F34 HydrophobicContact CB-CZ 4.07Å; N22-I241 HydrophobicContact CB-CD1 3.72Å; N22-I241 HydrophobicContact CB-CG1 4.31Å; N22-I241 HydrophobicContact CB-CG2 4.05Å; N22-I241 WeakPolarHBondContact ND2-CD1 3.39Å
23N98.5Very high98.1Very high93 Ų9350.3 Ų50.350%0.49725%0.247SC..Hα-helixtrans-61.7-46176.6-17646.6000111.2P19 H20 L25 N26 N27P19-N23 WeakPolarHBondContact O-CB 3.41Å; P19-N23 PolarHBondContact O-N 3.34Å; P19-N23 VanDerWaalsContact O-N 3.09Å; H20-N23 PolarHBondContact O-N 2.95Å; N23-L25 PolarHBondContact O-N 3.04Å; N23-N26 PolarHBondContact O-N 3.2Å; N23-N27 PolarHBondContact O-N 2.81Å; N23-N27 PolarHBondContact O-ND2 3.47Å
24F98.6Very high98.2Very high20 Ų2050.2 Ų50.29%0.08825%0.246CC..Hα-helixtrans-58.3-45.8178.7-169.5-90.4000112.4H20 L21 Q28 P102 D104 L107 Y109H20-F24 WeakPolarHBondContact O-CB 3.44Å; H20-F24 PolarHBondContact O-N 3.09Å; L21-F24 HydrophobicContact CD1-CB 4.5Å; L21-F24 HydrophobicContact CD1-CD1 4.41Å; L21-F24 PolarHBondContact O-N 2.94Å; F24-Q28 WeakPolarHBondContact O-CG 3.4Å; F24-Q28 PolarHBondContact O-N 3.05Å; F24-P102 HydrophobicContact CB-CG 4.49Å; F24-P102 HydrophobicContact CD1-CB 4.22Å; F24-P102 HydrophobicContact CD1-CG 3.65Å; F24-P102 HydrophobicContact CD2-CB 4.35Å; F24-P102 HydrophobicContact CD2-CG 4.08Å; F24-P102 WeakPolarHBondContact CD2-O 3.36Å; F24-P102 HydrophobicContact CE1-CB 3.83Å; F24-P102 HydrophobicContact CE1-CG 3.78Å; F24-P102 HydrophobicContact CE2-CB 3.99Å; F24-P102 HydrophobicContact CE2-CG 4.22Å; F24-P102 HydrophobicContact CG-CB 4.47Å; F24-P102 HydrophobicContact CG-CG 3.81Å; F24-P102 HydrophobicContact CZ-CB 3.73Å; F24-P102 HydrophobicContact CZ-CG 4.09Å; F24-D104 WeakPolarHBondContact CZ-O 3.41Å; F24-L107 WeakPolarHBondContact CE1-O 3.35Å; F24-L107 HydrophobicContact CZ-CB 4.1Å; F24-L107 WeakPolarHBondContact CZ-O 3.34Å; F24-Y109 HydrophobicContact CD1-CD2 4.19Å; F24-Y109 HydrophobicContact CD1-CE2 4.03Å; F24-Y109 AromaticContact CE1-CD2 3.77Å; F24-Y109 HydrophobicContact CE1-CD2 3.77Å; F24-Y109 AromaticContact CE1-CE2 3.62Å; F24-Y109 HydrophobicContact CE1-CE2 3.62Å
25L98.5Very high98.2Very high0 Ų050.1 Ų50.10%025%0.246CC..Hα-helixtrans-71.1-37.2178.9-67.6177.8000112.8M1 V3 L21 N22 N23 Q28 N29 V30 H32 Y109M1-L25 HydrophobicContact CE-CD1 3.78Å; M1-L25 HydrophobicContact CE-CD2 3.93Å; V3-L25 HydrophobicContact CG2-CD1 4.19Å; L21-L25 HydrophobicContact CD1-CD1 4.12Å; L21-L25 HydrophobicContact CD1-CD2 4.24Å; L21-L25 HydrophobicContact CD1-CG 3.86Å; L21-L25 HydrophobicContact CD2-CD1 4.43Å; L21-L25 HydrophobicContact CG-CD1 3.83Å; L21-L25 HydrophobicContact CG-CG 4.05Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.48Å; N22-L25 PolarHBondContact O-N 2.96Å; N23-L25 PolarHBondContact O-N 3.04Å; L25-Q28 CarbonylContact O-C 3.48Å; L25-Q28 WeakPolarHBondContact O-CA 3.24Å; L25-Q28 PolarHBondContact O-N 2.84Å; L25-N29 PolarHBondContact O-N 3.06Å; L25-V30 HydrophobicContact CB-CB 4.35Å; L25-V30 HydrophobicContact CD2-CB 4.33Å; L25-V30 HydrophobicContact CD2-CG1 4.34Å; L25-V30 PolarHBondContact O-N 2.92Å; L25-H32 HydrophobicContact CD1-CB 3.88Å; L25-H32 VanDerWaalsContact CD1-CG 3.5Å; L25-Y109 VanDerWaalsContact CD2-CB 3.41Å; L25-Y109 HydrophobicContact CD2-CD1 3.66Å; L25-Y109 HydrophobicContact CD2-CD2 3.92Å; L25-Y109 HydrophobicContact CD2-CE1 4.36Å; L25-Y109 HydrophobicContact CD2-CG 3.39Å
26N98Very high98.3Very high76 Ų7645.6 Ų45.641%0.40623%0.225SC..Hα-helixtrans-65.8-38.1176.3-73.1-25000111.7N22 N23 Q28 N29 H32N22-N26 PolarHBondContact ND2-ND2 2.88Å; N22-N26 VanDerWaalsContact O-CB 3.31Å; N22-N26 WeakPolarHBondContact O-CB 3.41Å; N22-N26 PolarHBondContact O-N 2.95Å; N22-N26 PolarHBondContact O-ND2 2.75Å; N22-N26 VanDerWaalsContact O-ND2 3.13Å; N22-N26 PolarHBondContact OD1-ND2 2.92Å; N23-N26 PolarHBondContact O-N 3.2Å; N26-Q28 PolarHBondContact O-N 2.85Å; N26-Q28 VanDerWaalsContact O-N 3.14Å; N26-N29 PolarHBondContact O-N 2.86Å; N26-H32 PolarHBondContact OD1-CE1 3.46Å
27N98.1Very high98.3Very high115 Ų11541.8 Ų41.862%0.61521%0.207SC*.THydrogen-bonded Turntrans-62.5-19.2172.2-69-22.5000113N23N23-N27 PolarHBondContact O-N 2.81Å; N23-N27 PolarHBondContact O-ND2 3.47Å
28Q97.2Very high98.4Very high31 Ų3143 Ų4315%0.14521%0.214CC..THydrogen-bonded Turntrans-98.74173.9-60.3-1749.200113.4F24 L25 N26 V30 L107F24-Q28 WeakPolarHBondContact O-CG 3.4Å; F24-Q28 PolarHBondContact O-N 3.05Å; L25-Q28 CarbonylContact O-C 3.48Å; L25-Q28 WeakPolarHBondContact O-CA 3.24Å; L25-Q28 PolarHBondContact O-N 2.84Å; N26-Q28 PolarHBondContact O-N 2.85Å; N26-Q28 VanDerWaalsContact O-N 3.14Å; Q28-V30 HydrophobicContact CB-CG2 3.85Å; Q28-V30 PolarHBondContact O-N 3.02Å; Q28-L107 PolarHBondContact NE2-O 2.79Å
29N97.4Very high98.3Very high151 Ų15143.1 Ų43.181%0.80721%0.214SC*.THydrogen-bonded Turntrans55.930.4-173.4-61.3-68.2000113.8L25 N26L25-N29 PolarHBondContact O-N 3.06Å; N26-N29 PolarHBondContact O-N 2.86Å
30V97.4Very high98.3Very high10 Ų1043.8 Ų43.86%0.06122%0.218CC..  trans-90.4108.8-179.6177.50000109.7M1 L25 Q28 H32 Y92M1-V30 HydrophobicContact CB-CG1 4.4Å; M1-V30 HydrophobicContact CE-CG1 4.06Å; L25-V30 HydrophobicContact CB-CB 4.35Å; L25-V30 HydrophobicContact CD2-CB 4.33Å; L25-V30 HydrophobicContact CD2-CG1 4.34Å; L25-V30 PolarHBondContact O-N 2.92Å; Q28-V30 HydrophobicContact CB-CG2 3.85Å; Q28-V30 PolarHBondContact O-N 3.02Å; V30-H32 PolarHBondContact O-N 3.46Å; V30-H32 PolarHBondContact O-ND1 3.46Å; V30-Y92 WeakPolarHBondContact CG1-OH 3.26Å
31R97.5Very high98.2Very high204 Ų20442.7 Ų42.777%0.7721%0.213SC*.  trans-65.1126.9170.4-67-168.1-63.8147.8-1.4110.5M1M1-R31 PolarHBondContact N-O 2.98Å
32H98.3Very high97.9Very high32 Ų3248.6 Ų48.615%0.14824%0.244CC..  trans-144.8158-172.760.9-82.5000113.2M1 V3 N22 L25 N26 V30 F34M1-H32 HydrophobicContact CE-CB 4.29Å; M1-H32 VanDerWaalsContact O-CA 3.24Å; M1-H32 WeakPolarHBondContact O-CA 3.47Å; V3-H32 HydrophobicContact CG2-CB 4.32Å; N22-H32 PolarHBondContact OD1-NE2 2.97Å; N22-H32 VanDerWaalsContact OD1-NE2 3.15Å; L25-H32 HydrophobicContact CD1-CB 3.88Å; L25-H32 VanDerWaalsContact CD1-CG 3.5Å; N26-H32 PolarHBondContact OD1-CE1 3.46Å; V30-H32 PolarHBondContact O-N 3.46Å; V30-H32 PolarHBondContact O-ND1 3.46Å; H32-F34 AromaticContact CD2-CE2 3.37Å; H32-F34 WeakPolarHBondContact CD2-CE2 3.13Å; H32-F34 AromaticContact CD2-CZ 3.53Å; H32-F34 AromaticContact NE2-CE2 3.42Å; H32-F34 WeakPolarHBondContact NE2-CE2 3.32Å; H32-F34 AromaticContact NE2-CZ 3.63Å
33T98.5Very high97.7Very high31 Ų3148.3 Ų48.319%0.1924%0.243CC..EExtended strand (participates in β ladder)trans-134.5133.6171.3-54.30000108.9M1 V3 F35 L87 I244M1-T33 PolarHBondContact O-N 3.32Å; V3-T33 PolarHBondContact N-O 3.02Å; T33-F35 HydrophobicContact CG2-CD2 4.23Å; T33-F35 HydrophobicContact CG2-CE2 3.68Å; T33-F35 HydrophobicContact CG2-CZ 4.04Å; T33-L87 HydrophobicContact CG2-CD1 3.88Å; T33-I244 HydrophobicContact CG2-CD1 4.26Å
34F98.8Very high97.5Very high3 Ų344.2 Ų44.21%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-88.2126177.2-63.8-78.7000111.6V3 F17 I18 L21 N22 H32 I241 A243 I244V3-F34 HydrophobicContact CB-CD1 3.89Å; V3-F34 HydrophobicContact CB-CE1 4.3Å; V3-F34 HydrophobicContact CG1-CD1 3.94Å; V3-F34 HydrophobicContact CG1-CE1 4.18Å; V3-F34 HydrophobicContact CG2-CD1 4.28Å; V3-F34 HydrophobicContact CG2-CE1 4.26Å; F17-F34 HydrophobicContact CE1-CD1 4.03Å; F17-F34 AromaticContact CE1-CE1 4Å; F17-F34 HydrophobicContact CE1-CE1 4Å; I18-F34 HydrophobicContact CG2-CD2 4.38Å; I18-F34 HydrophobicContact CG2-CE2 4.29Å; L21-F34 HydrophobicContact CB-CE1 4.25Å; L21-F34 HydrophobicContact CB-CZ 4.36Å; L21-F34 HydrophobicContact CD2-CE1 3.99Å; L21-F34 HydrophobicContact CG-CE1 4.19Å; L21-F34 HydrophobicContact CG-CZ 4.47Å; N22-F34 HydrophobicContact CB-CE2 4.02Å; N22-F34 HydrophobicContact CB-CZ 4.07Å; H32-F34 AromaticContact CD2-CE2 3.37Å; H32-F34 WeakPolarHBondContact CD2-CE2 3.13Å; H32-F34 AromaticContact CD2-CZ 3.53Å; H32-F34 AromaticContact NE2-CE2 3.42Å; H32-F34 WeakPolarHBondContact NE2-CE2 3.32Å; H32-F34 AromaticContact NE2-CZ 3.63Å; F34-I241 HydrophobicContact CD2-CG2 4.25Å; F34-I241 HydrophobicContact CE2-CG2 3.96Å; F34-A243 HydrophobicContact CB-CB 3.75Å; F34-I244 PolarHBondContact O-N 3.41Å
35F98.9Very high97.4Very high0 Ų046.1 Ų46.10%023%0.229CC..EExtended strand (participates in β ladder)trans-118.3109.4172-67.1-92.5000109.4A2 V3 L4 V5 T33 I37 S58 A61 L87 I244 I246A2-F35 HydrophobicContact CB-CD2 3.97Å; A2-F35 HydrophobicContact CB-CE2 3.84Å; V3-F35 PolarHBondContact O-N 2.83Å; L4-F35 HydrophobicContact CD2-CB 3.98Å; L4-F35 HydrophobicContact CD2-CD2 4.23Å; L4-F35 HydrophobicContact CD2-CG 4.33Å; V5-F35 PolarHBondContact N-O 3.02Å; T33-F35 HydrophobicContact CG2-CD2 4.23Å; T33-F35 HydrophobicContact CG2-CE2 3.68Å; T33-F35 HydrophobicContact CG2-CZ 4.04Å; F35-I37 HydrophobicContact CB-CD1 4.05Å; F35-S58 VanDerWaalsContact CZ-CB 3.49Å; F35-A61 HydrophobicContact CE1-CB 4.2Å; F35-A61 HydrophobicContact CZ-CB 4.37Å; F35-L87 HydrophobicContact CE1-CD1 4.15Å; F35-L87 HydrophobicContact CE2-CD1 4.35Å; F35-L87 HydrophobicContact CZ-CD1 3.49Å; F35-L87 VanDerWaalsContact CZ-CD1 3.49Å; F35-I244 CarbonylContact C-O 3.5Å; F35-I244 WeakPolarHBondContact CA-O 3.49Å; F35-I244 HydrophobicContact CD1-CB 4.21Å; F35-I244 HydrophobicContact CD1-CD1 4.33Å; F35-I244 HydrophobicContact CD1-CG2 4.45Å; F35-I244 HydrophobicContact CE1-CB 4.49Å; F35-I244 HydrophobicContact CE1-CD1 3.79Å; F35-I244 HydrophobicContact CZ-CD1 4.23Å; F35-I246 HydrophobicContact CD1-CD1 4.1Å
36I98.8Very high97.3Very high0 Ų046.1 Ų46.10%023%0.229CC..EExtended strand (participates in β ladder)trans-95.5106.7179.2-47-51.3000107.8V5 F7 L14 N38 A243 I244 I245 I246V5-I36 HydrophobicContact CB-CD1 3.76Å; V5-I36 HydrophobicContact CG1-CD1 4.31Å; V5-I36 HydrophobicContact CG2-CD1 3.78Å; F7-I36 HydrophobicContact CB-CG2 3.54Å; F7-I36 HydrophobicContact CD1-CG2 3.9Å; F7-I36 HydrophobicContact CD2-CG2 3.9Å; F7-I36 HydrophobicContact CG-CG2 3.49Å; F7-I36 VanDerWaalsContact CG-CG2 3.49Å; L14-I36 HydrophobicContact CD1-CD1 3.63Å; L14-I36 HydrophobicContact CD1-CG1 4.07Å; L14-I36 HydrophobicContact CD1-CG2 4.36Å; L14-I36 HydrophobicContact CD2-CG1 4.47Å; L14-I36 HydrophobicContact CD2-CG2 4.26Å; I36-N38 PolarHBondContact O-N 2.81Å; I36-A243 HydrophobicContact CG1-CB 4.43Å; I36-I244 PolarHBondContact N-O 2.97Å; I36-I245 HydrophobicContact CB-CB 4.3Å; I36-I245 HydrophobicContact CB-CG1 4.23Å; I36-I245 HydrophobicContact CG2-CG1 4.34Å; I36-I245 WeakPolarHBondContact O-CA 3.5Å; I36-I246 PolarHBondContact O-N 3.2Å
37I98.9Very high97.3Very high0 Ų043.8 Ų43.80%021%0.214CC..EExtended strand (participates in β ladder)trans-92.792.7-175.1-44.4-54.7000108.2V5 F7 F35 L50 V53 G54 I246 V248V5-I37 PolarHBondContact O-N 3.14Å; F7-I37 PolarHBondContact N-O 3.13Å; F35-I37 HydrophobicContact CB-CD1 4.05Å; I37-L50 HydrophobicContact CB-CB 4.33Å; I37-L50 HydrophobicContact CG2-CB 4.04Å; I37-L50 HydrophobicContact CG2-CD2 3.75Å; I37-L50 HydrophobicContact CG2-CG 4.49Å; I37-L50 WeakPolarHBondContact CG2-O 3.35Å; I37-V53 HydrophobicContact CG2-CB 4.04Å; I37-V53 HydrophobicContact CG2-CG1 3.67Å; I37-G54 VanDerWaalsContact CD1-CA 3.48Å; I37-I246 HydrophobicContact CD1-CB 4.36Å; I37-I246 HydrophobicContact CD1-CD1 4.15Å; I37-I246 HydrophobicContact CD1-CG1 4.46Å; I37-V248 HydrophobicContact CG2-CG2 3.91Å
38N98.8Very high97.2Very high26 Ų2638.3 Ų38.314%0.13919%0.185CC..EExtended strand (participates in β ladder)trans-89.6110.7-170.3-176.132.9000111.1F7 I36 V40 I245 I246 N247 V248F7-N38 HydrophobicContact CD1-CB 4.22Å; F7-N38 WeakPolarHBondContact O-CA 3.2Å; I36-N38 PolarHBondContact O-N 2.81Å; N38-V40 WeakPolarHBondContact ND2-CG1 3.41Å; N38-V40 PolarHBondContact O-N 2.9Å; N38-I245 HydrophobicContact CB-CD1 4.05Å; N38-I245 HydrophobicContact CB-CG1 3.9Å; N38-I246 PolarHBondContact N-O 2.93Å; N38-N247 PolarHBondContact ND2-OD1 3.35Å; N38-N247 WeakPolarHBondContact O-CA 3.39Å; N38-V248 PolarHBondContact O-N 3.12Å
39Q98.4Very high97.2Very high3 Ų336.9 Ų36.91%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-78.2107.7179.1-162-176.6-22.700110.7F7 R8 D41 R44 L50 L250F7-Q39 PolarHBondContact O-N 2.92Å; R8-Q39 PolarHBondContact NE-O 3.27Å; Q39-D41 WeakPolarHBondContact CG-OD2 3.37Å; Q39-D41 PolarHBondContact NE2-OD1 2.86Å; Q39-R44 PolarHBondContact NE2-O 2.9Å; Q39-L50 HydrophobicContact CB-CD1 3.92Å; Q39-L50 HydrophobicContact CB-CD2 3.72Å; Q39-L50 HydrophobicContact CB-CG 4.38Å; Q39-L50 HydrophobicContact CG-CD2 4.04Å; Q39-L250 HydrophobicContact CG-CD1 4.11Å; Q39-L250 HydrophobicContact CG-CG 4.26Å
40V97.7Very high97.3Very high50 Ų5029.7 Ų29.730%0.30314%0.14SC..  trans-108.23.1-174.7-58.20000114.3N38 V231 N247 V248 K249N38-V40 WeakPolarHBondContact ND2-CG1 3.41Å; N38-V40 PolarHBondContact O-N 2.9Å; V40-V231 HydrophobicContact CG2-CB 4.4Å; V40-V231 HydrophobicContact CG2-CG2 3.87Å; V40-N247 HydrophobicContact CG1-CB 3.83Å; V40-N247 HydrophobicContact CG2-CB 4.15Å; V40-V248 WeakPolarHBondContact CG2-O 3.49Å; V40-V248 PolarHBondContact N-O 2.97Å; V40-K249 HydrophobicContact CG2-CG 3.97Å
41D95.7Very high97.3Very high18 Ų1829.2 Ų29.210%0.09614%0.137CC..SBendtrans-75.4168.7163.357.477.4000111.6R8 Q39 L43 K249 L250R8-D41 PolarHBondContact NH2-O 2.91Å; R8-D41 IonicContact NH2-OD1 3.14Å; R8-D41 PolarHBondContact NH2-OD1 3.26Å; Q39-D41 WeakPolarHBondContact CG-OD2 3.37Å; Q39-D41 PolarHBondContact NE2-OD1 2.86Å; D41-L43 VanDerWaalsContact OD1-CB 3.22Å; D41-L43 WeakPolarHBondContact OD1-CB 3.4Å; D41-L43 PolarHBondContact OD1-N 2.91Å; D41-K249 HydrophobicContact CB-CB 4.27Å; D41-K249 HydrophobicContact CB-CG 4.22Å; D41-L250 PolarHBondContact OD2-N 3.47Å
42D94.2Very high97.4Very high124 Ų12419.5 Ų19.566%0.66310%0.101SC*.SBendtrans-91.77.3-180-58.8-47.8000113.2L259 K260D42-L259 HydrophobicContact CB-CD2 3.92Å; D42-L259 CarbonylContact O-C 3.59Å; D42-L259 WeakPolarHBondContact O-CA 3.36Å; D42-K260 WeakPolarHBondContact O-CB 3.17Å; D42-K260 PolarHBondContact O-N 2.79Å
43L94.3Very high97.4Very high28 Ų2818 Ų1815%0.1479%0.094CC..BIsolated β-bridgetrans-74.5163.1178.2-54.7173.2000110.3R8 D41 W158 L250 C252 L259R8-L43 VanDerWaalsContact CZ-O 3.31Å; R8-L43 PolarHBondContact NH1-O 3.32Å; R8-L43 PolarHBondContact NH2-O 2.77Å; D41-L43 VanDerWaalsContact OD1-CB 3.22Å; D41-L43 WeakPolarHBondContact OD1-CB 3.4Å; D41-L43 PolarHBondContact OD1-N 2.91Å; L43-W158 HydrophobicContact CB-CE3 3.93Å; L43-W158 HydrophobicContact CB-CH2 4.39Å; L43-W158 HydrophobicContact CB-CZ3 3.52Å; L43-W158 HydrophobicContact CD1-CE3 4.47Å; L43-W158 HydrophobicContact CD1-CH2 3.56Å; L43-W158 HydrophobicContact CD1-CZ2 4.48Å; L43-W158 HydrophobicContact CD1-CZ3 3.57Å; L43-W158 HydrophobicContact CG-CZ3 4.19Å; L43-L250 WeakPolarHBondContact CD1-O 3.46Å; L43-C252 HydrophobicContact CD1-CB 4.13Å; L43-L259 HydrophobicContact CD2-CD2 4.37Å
44R94.2Very high97.4Very high6 Ų616.5 Ų16.52%0.0239%0.085CC..PPolyproline II helixtrans-55.7153.1171.2-67.5171.280-131.8-4.6110.9Q39 N46 W158 D203 T206 K258Q39-R44 PolarHBondContact NE2-O 2.9Å; R44-N46 PolarHBondContact O-N 3.34Å; R44-W158 HydrophobicContact CB-CB 4.26Å; R44-W158 PolarHBondContact NH1-O 3.35Å; R44-D203 WeakPolarHBondContact CG-OD2 3.39Å; R44-D203 IonicContact CZ-OD1 3.33Å; R44-D203 IonicContact CZ-OD2 3.28Å; R44-D203 VanDerWaalsContact CZ-OD2 3.28Å; R44-D203 VanDerWaalsContact NE-CG 3.26Å; R44-D203 IonicContact NE-OD1 3.2Å; R44-D203 PolarHBondContact NE-OD1 3.02Å; R44-D203 IonicContact NE-OD2 2.65Å; R44-D203 PolarHBondContact NE-OD2 2.81Å; R44-D203 PolarHBondContact NH2-O 3.38Å; R44-D203 IonicContact NH2-OD1 2.71Å; R44-D203 PolarHBondContact NH2-OD1 2.81Å; R44-D203 IonicContact NH2-OD2 3.27Å; R44-D203 PolarHBondContact NH2-OD2 2.86Å; R44-T206 PolarHBondContact NH1-OG1 3.01Å; R44-T206 PolarHBondContact NH2-OG1 3.05Å; R44-K258 WeakPolarHBondContact CG-O 3.39Å; R44-K258 PolarHBondContact N-O 2.88Å
45F96Very high97.4Very high61 Ų6116.8 Ų16.827%0.2689%0.087SC..PPolyproline II helixtrans-64.1132.6-176.8-173.8-109.1000110.3P6 R8 R47 L50 G159P6-F45 HydrophobicContact CB-CZ 3.9Å; R8-F45 HydrophobicContact CB-CD2 3.85Å; R8-F45 HydrophobicContact CB-CE2 3.91Å; F45-R47 HydrophobicContact CD1-CB 4.42Å; F45-R47 HydrophobicContact CE1-CB 3.94Å; F45-L50 HydrophobicContact CD2-CD1 3.94Å; F45-L50 HydrophobicContact CE2-CD1 3.29Å; F45-L50 HydrophobicContact CZ-CD1 3.65Å; F45-G159 PolarHBondContact O-N 3.44Å
46N95.8Very high97.4Very high0 Ų019.4 Ų19.40%010%0.101CC..  trans-126.189.1-178.1-172.3-26.1000110.6R44 G48 A49 L50 N155 F157 W158 L250R44-N46 PolarHBondContact O-N 3.34Å; N46-G48 PolarHBondContact O-N 2.82Å; N46-A49 HydrophobicContact CB-CB 4.05Å; N46-A49 PolarHBondContact O-N 3.49Å; N46-A49 VanDerWaalsContact OD1-CB 3.22Å; N46-A49 WeakPolarHBondContact OD1-CB 3.43Å; N46-A49 PolarHBondContact OD1-N 3.44Å; N46-L50 WeakPolarHBondContact O-CG 3.49Å; N46-L50 PolarHBondContact O-N 2.79Å; N46-L50 VanDerWaalsContact O-N 3.09Å; N46-N155 PolarHBondContact ND2-O 3.38Å; N46-F157 VanDerWaalsContact CG-O 3.28Å; N46-F157 PolarHBondContact OD1-O 3.27Å; N46-W158 HydrophobicContact CB-CD2 4.11Å; N46-W158 HydrophobicContact CB-CE3 3.71Å; N46-W158 HydrophobicContact CB-CH2 4.23Å; N46-W158 HydrophobicContact CB-CZ3 3.76Å; N46-W158 VanDerWaalsContact ND2-CZ2 3.26Å; N46-W158 WeakPolarHBondContact ND2-CZ2 3.41Å; N46-L250 HydrophobicContact CB-CD1 3.84Å
47R97.6Very high97.4Very high27 Ų2719.9 Ų19.910%0.10210%0.103CC..Hα-helixtrans-59.4-46.6-175.4179166.4176-75.7-4.4112.7P6 F45 L50 L51 D97 G138 E163P6-R47 HydrophobicContact CB-CG 4.19Å; P6-R47 HydrophobicContact CG-CG 3.83Å; F45-R47 HydrophobicContact CD1-CB 4.42Å; F45-R47 HydrophobicContact CE1-CB 3.94Å; R47-L50 PolarHBondContact O-N 2.78Å; R47-L51 HydrophobicContact CG-CD1 4.07Å; R47-L51 WeakPolarHBondContact O-CG 3.47Å; R47-L51 PolarHBondContact O-N 3.33Å; R47-D97 IonicContact CZ-OD1 3.86Å; R47-D97 VanDerWaalsContact CZ-OD1 3.24Å; R47-D97 IonicContact NE-OD1 3.47Å; R47-D97 PolarHBondContact NE-OD1 2.61Å; R47-D97 IonicContact NH2-OD1 3.74Å; R47-D97 PolarHBondContact NH2-OD1 3.15Å; R47-G138 PolarHBondContact NH2-O 3.42Å; R47-E163 HydrophobicContact CB-CG 4.29Å; R47-E163 VanDerWaalsContact CD-OE1 3.31Å; R47-E163 WeakPolarHBondContact CD-OE1 3.45Å; R47-E163 IonicContact CZ-OE1 3.43Å; R47-E163 IonicContact NE-OE1 2.65Å; R47-E163 IonicContact NH1-OE1 2.61Å; R47-E163 PolarHBondContact NH1-OE1 3.48Å
48G97.1Very high97.4Very high0 Ų019.9 Ų19.90%010%0.103CC..Hα-helixtrans-62.4-46.1-178.700000112.8N46 L50 L51 N52N46-G48 PolarHBondContact O-N 2.82Å; G48-L50 PolarHBondContact O-N 3.19Å; G48-L51 PolarHBondContact O-N 3.21Å; G48-N52 PolarHBondContact O-N 3.16Å
49A96.9Very high97.4Very high1 Ų121.8 Ų21.81%0.00811%0.113CC..Hα-helixtrans-61.4-43.617600000112.4N46 L51 N52 V53 I226 L250N46-A49 HydrophobicContact CB-CB 4.05Å; N46-A49 PolarHBondContact O-N 3.49Å; N46-A49 VanDerWaalsContact OD1-CB 3.22Å; N46-A49 WeakPolarHBondContact OD1-CB 3.43Å; N46-A49 PolarHBondContact OD1-N 3.44Å; A49-L51 VanDerWaalsContact C-N 3.31Å; A49-L51 PolarHBondContact O-N 3Å; A49-N52 WeakPolarHBondContact O-CB 3.34Å; A49-N52 PolarHBondContact O-N 3.25Å; A49-V53 WeakPolarHBondContact O-CG2 3.47Å; A49-V53 PolarHBondContact O-N 3.37Å; A49-I226 HydrophobicContact CB-CD1 3.61Å; A49-L250 HydrophobicContact CB-CD1 3.74Å; A49-L250 HydrophobicContact CB-CD2 4.29Å
50L98.6Very high97.4Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-64.1-35.7177.8-66168.9000112.3P6 I37 Q39 F45 N46 R47 G48 V53 G54 V248 L250P6-L50 HydrophobicContact CB-CB 3.83Å; P6-L50 HydrophobicContact CB-CD1 3.95Å; I37-L50 HydrophobicContact CB-CB 4.33Å; I37-L50 HydrophobicContact CG2-CB 4.04Å; I37-L50 HydrophobicContact CG2-CD2 3.75Å; I37-L50 HydrophobicContact CG2-CG 4.49Å; I37-L50 WeakPolarHBondContact CG2-O 3.35Å; Q39-L50 HydrophobicContact CB-CD1 3.92Å; Q39-L50 HydrophobicContact CB-CD2 3.72Å; Q39-L50 HydrophobicContact CB-CG 4.38Å; Q39-L50 HydrophobicContact CG-CD2 4.04Å; F45-L50 HydrophobicContact CD2-CD1 3.94Å; F45-L50 HydrophobicContact CE2-CD1 3.29Å; F45-L50 HydrophobicContact CZ-CD1 3.65Å; N46-L50 WeakPolarHBondContact O-CG 3.49Å; N46-L50 PolarHBondContact O-N 2.79Å; N46-L50 VanDerWaalsContact O-N 3.09Å; R47-L50 PolarHBondContact O-N 2.78Å; G48-L50 PolarHBondContact O-N 3.19Å; L50-V53 PolarHBondContact O-N 2.89Å; L50-G54 PolarHBondContact O-N 3.44Å; L50-V248 HydrophobicContact CD2-CG2 3.61Å; L50-L250 HydrophobicContact CD2-CD1 4.1Å; L50-L250 HydrophobicContact CD2-CD2 4.37Å; L50-L250 HydrophobicContact CD2-CG 4.38Å; L50-L250 HydrophobicContact CG-CD1 4.26Å
51L98.7Very high97.4Very high0 Ų022.8 Ų22.80%011%0.114CC..Hα-helixtrans-68.6-36.4174.8-71.6170.2000112L4 P6 R47 G48 A49 G54 A55 L95 M153L4-L51 HydrophobicContact CB-CD2 3.87Å; P6-L51 HydrophobicContact CB-CG 4.45Å; P6-L51 HydrophobicContact CG-CD2 4.19Å; P6-L51 HydrophobicContact CG-CG 4.25Å; R47-L51 HydrophobicContact CG-CD1 4.07Å; R47-L51 WeakPolarHBondContact O-CG 3.47Å; R47-L51 PolarHBondContact O-N 3.33Å; G48-L51 PolarHBondContact O-N 3.21Å; A49-L51 VanDerWaalsContact C-N 3.31Å; A49-L51 PolarHBondContact O-N 3Å; L51-G54 PolarHBondContact O-N 2.97Å; L51-A55 PolarHBondContact O-N 3Å; L51-L95 HydrophobicContact CD1-CB 4.06Å; L51-L95 HydrophobicContact CD1-CD1 4.45Å; L51-L95 HydrophobicContact CD2-CB 3.96Å; L51-L95 HydrophobicContact CD2-CD2 4.04Å; L51-M153 HydrophobicContact CB-SD 4.02Å; L51-M153 HydrophobicContact CD1-CE 4.5Å; L51-M153 HydrophobicContact CD1-SD 3.37Å; L51-M153 WeakPolarHBondContact CD1-SD 3.47Å; L51-M153 HydrophobicContact CG-SD 4.33Å
52N98.7Very high97.5Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-61.1-48.1169.8-74.9-21000111.9G48 A49 G54 A55 L56 Y147 G152 M153 N155 L223 I226G48-N52 PolarHBondContact O-N 3.16Å; A49-N52 WeakPolarHBondContact O-CB 3.34Å; A49-N52 PolarHBondContact O-N 3.25Å; N52-G54 VanDerWaalsContact C-N 3.32Å; N52-G54 PolarHBondContact O-N 3.18Å; N52-A55 WeakPolarHBondContact O-CB 3.3Å; N52-A55 PolarHBondContact O-N 3.16Å; N52-L56 WeakPolarHBondContact O-CG 3.19Å; N52-L56 PolarHBondContact O-N 2.84Å; N52-L56 VanDerWaalsContact O-N 3.1Å; N52-Y147 PolarHBondContact N-OH 3.12Å; N52-Y147 WeakPolarHBondContact OD1-CE1 3.48Å; N52-Y147 PolarHBondContact OD1-OH 3.27Å; N52-G152 WeakPolarHBondContact OD1-CA 3.36Å; N52-M153 PolarHBondContact ND2-O 3.2Å; N52-M153 PolarHBondContact OD1-N 3.05Å; N52-N155 PolarHBondContact ND2-OD1 3.04Å; N52-L223 HydrophobicContact CB-CD1 4.08Å; N52-I226 HydrophobicContact CB-CB 4.46Å; N52-I226 HydrophobicContact CB-CG2 4.43Å
53V98.8Very high97.7Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-55.6-48.1174.2169.10000110.5I37 A49 L50 A55 L56 E57 I226 Y228 V248 L250I37-V53 HydrophobicContact CG2-CB 4.04Å; I37-V53 HydrophobicContact CG2-CG1 3.67Å; A49-V53 WeakPolarHBondContact O-CG2 3.47Å; A49-V53 PolarHBondContact O-N 3.37Å; L50-V53 PolarHBondContact O-N 2.89Å; V53-A55 VanDerWaalsContact C-N 3.3Å; V53-A55 PolarHBondContact O-N 3.37Å; V53-L56 PolarHBondContact O-N 3.36Å; V53-E57 HydrophobicContact CG1-CG 3.9Å; V53-E57 WeakPolarHBondContact O-CB 3.5Å; V53-E57 VanDerWaalsContact O-CG 3.27Å; V53-E57 WeakPolarHBondContact O-CG 3.49Å; V53-E57 PolarHBondContact O-N 3.48Å; V53-I226 HydrophobicContact CG2-CG1 4.06Å; V53-Y228 HydrophobicContact CB-CE2 4.49Å; V53-Y228 HydrophobicContact CG1-CD2 3.94Å; V53-Y228 HydrophobicContact CG1-CE2 3.77Å; V53-Y228 HydrophobicContact CG2-CD1 3.8Å; V53-Y228 HydrophobicContact CG2-CD2 3.82Å; V53-Y228 HydrophobicContact CG2-CE1 4.14Å; V53-Y228 HydrophobicContact CG2-CE2 4.16Å; V53-Y228 HydrophobicContact CG2-CG 3.63Å; V53-V248 HydrophobicContact CG1-CB 4.42Å; V53-V248 HydrophobicContact CG1-CG1 3.73Å; V53-V248 HydrophobicContact CG1-CG2 4.35Å; V53-L250 HydrophobicContact CG2-CD2 3.96Å
54G98.8Very high97.8Very high0 Ų023.4 Ų23.40%012%0.12CC..Hα-helixtrans-60.6-37.3178.300000113.5L4 I37 L50 L51 N52 S58L4-G54 WeakPolarHBondContact CD2-O 3.44Å; I37-G54 VanDerWaalsContact CD1-CA 3.48Å; L50-G54 PolarHBondContact O-N 3.44Å; L51-G54 PolarHBondContact O-N 2.97Å; N52-G54 VanDerWaalsContact C-N 3.32Å; N52-G54 PolarHBondContact O-N 3.18Å; G54-S58 WeakPolarHBondContact O-CB 3.45Å; G54-S58 PolarHBondContact O-N 2.61Å; G54-S58 PolarHBondContact O-OG 2.91Å
55A98.8Very high98Very high8 Ų823.6 Ų23.67%0.06612%0.124CC..Hα-helixtrans-64.6-42.5176.200000112L4 L51 N52 V53 S58 L59 L93 R144 Y147 L223L4-A55 HydrophobicContact CD1-CB 4.2Å; L51-A55 PolarHBondContact O-N 3Å; N52-A55 WeakPolarHBondContact O-CB 3.3Å; N52-A55 PolarHBondContact O-N 3.16Å; V53-A55 VanDerWaalsContact C-N 3.3Å; V53-A55 PolarHBondContact O-N 3.37Å; A55-S58 PolarHBondContact O-OG 2.8Å; A55-L59 WeakPolarHBondContact O-CB 3.39Å; A55-L59 PolarHBondContact O-N 3.08Å; A55-L93 HydrophobicContact CB-CD1 3.9Å; A55-R144 PolarHBondContact O-NH1 2.82Å; A55-Y147 HydrophobicContact CB-CD1 3.91Å; A55-Y147 HydrophobicContact CB-CE1 3.6Å; A55-L223 HydrophobicContact CB-CD1 4.23Å
56L98.7Very high98.1Very high56 Ų5621 Ų2129%0.29311%0.113SC..Hα-helixtrans-69.8-50.7177.7-65.3174.2000111.9N52 V53 S58 L59 E60 L223 I226 Y228N52-L56 WeakPolarHBondContact O-CG 3.19Å; N52-L56 PolarHBondContact O-N 2.84Å; N52-L56 VanDerWaalsContact O-N 3.1Å; V53-L56 PolarHBondContact O-N 3.36Å; L56-S58 PolarHBondContact O-N 2.92Å; L56-L59 WeakPolarHBondContact O-CB 3.44Å; L56-L59 PolarHBondContact O-N 3.26Å; L56-L59 VanDerWaalsContact O-N 3.11Å; L56-E60 PolarHBondContact O-N 3.44Å; L56-L223 HydrophobicContact CD1-CD1 4.22Å; L56-L223 HydrophobicContact CD2-CD1 3.78Å; L56-L223 HydrophobicContact CD2-CG 4.22Å; L56-L223 HydrophobicContact CG-CD1 3.69Å; L56-I226 HydrophobicContact CD1-CG2 3.64Å; L56-Y228 HydrophobicContact CD1-CE1 3.95Å
57E98.6Very high98.2Very high9 Ų925.7 Ų25.74%0.04214%0.137CC..Hα-helixtrans-68.3-34.6-175.6-69.2-64.6134.600113.1V53 L59 E60 A61 Y228 V230 R233 I246V53-E57 HydrophobicContact CG1-CG 3.9Å; V53-E57 WeakPolarHBondContact O-CB 3.5Å; V53-E57 VanDerWaalsContact O-CG 3.27Å; V53-E57 WeakPolarHBondContact O-CG 3.49Å; V53-E57 PolarHBondContact O-N 3.48Å; E57-L59 VanDerWaalsContact C-N 3.32Å; E57-E60 PolarHBondContact O-N 2.92Å; E57-A61 WeakPolarHBondContact O-CB 3.4Å; E57-A61 PolarHBondContact O-N 3.07Å; E57-A61 VanDerWaalsContact O-N 3.07Å; E57-Y228 HydrophobicContact CG-CE2 4.2Å; E57-Y228 WeakPolarHBondContact OE1-CE2 3.14Å; E57-Y228 PolarHBondContact OE1-OH 3.44Å; E57-V230 HydrophobicContact CG-CG2 4.43Å; E57-V230 WeakPolarHBondContact OE1-CG2 3.15Å; E57-R233 IonicContact OE1-NH2 2.72Å; E57-R233 PolarHBondContact OE1-NH2 3Å; E57-R233 IonicContact OE2-CZ 2.92Å; E57-R233 IonicContact OE2-NE 3.79Å; E57-R233 PolarHBondContact OE2-NE 2.79Å; E57-R233 IonicContact OE2-NH2 3.76Å; E57-R233 PolarHBondContact OE2-NH2 2.86Å; E57-I246 HydrophobicContact CB-CD1 3.52Å; E57-I246 HydrophobicContact CG-CD1 4.08Å; E57-I246 HydrophobicContact CG-CG2 4.35Å
58S98.7Very high98.3Very high0 Ų024.4 Ų24.40%013%0.132CC..Hα-helixtrans-68-34.9172.5610000111.9F35 G54 A55 L56 E62 R144F35-S58 VanDerWaalsContact CZ-CB 3.49Å; G54-S58 WeakPolarHBondContact O-CB 3.45Å; G54-S58 PolarHBondContact O-N 2.61Å; G54-S58 PolarHBondContact O-OG 2.91Å; A55-S58 PolarHBondContact O-OG 2.8Å; L56-S58 PolarHBondContact O-N 2.92Å; S58-E62 WeakPolarHBondContact O-CG 3.26Å; S58-E62 PolarHBondContact O-N 2.9Å; S58-R144 PolarHBondContact OG-NH1 3Å; S58-R144 VanDerWaalsContact OG-NH1 3.13Å; S58-R144 PolarHBondContact OG-NH2 2.86Å
59L98.5Very high98.3Very high67 Ų6726 Ų2635%0.35114%0.139SC..Hα-helixtrans-69.2-41.3174.8-176.163.9000111.3A55 L56 E57 A61 E62 V63 F89A55-L59 WeakPolarHBondContact O-CB 3.39Å; A55-L59 PolarHBondContact O-N 3.08Å; L56-L59 WeakPolarHBondContact O-CB 3.44Å; L56-L59 PolarHBondContact O-N 3.26Å; L56-L59 VanDerWaalsContact O-N 3.11Å; E57-L59 VanDerWaalsContact C-N 3.32Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A61 PolarHBondContact O-N 3.29Å; L59-E62 PolarHBondContact O-N 3.31Å; L59-E62 VanDerWaalsContact O-N 3.08Å; L59-V63 HydrophobicContact CD1-CG2 3.73Å; L59-V63 HydrophobicContact CG-CG2 4.08Å; L59-V63 WeakPolarHBondContact O-CG2 3.42Å; L59-V63 PolarHBondContact O-N 2.85Å; L59-F89 HydrophobicContact CD1-CD2 4.44Å; L59-F89 HydrophobicContact CD1-CE2 3.9Å
60E98.4Very high98.2Very high74 Ų7426.6 Ų26.635%0.34614%0.144SC..Hα-helixtrans-58.1-45.9176.2-178.660.3-163.300111.3L56 E57 E62 V63 N64 G65 I66L56-E60 PolarHBondContact O-N 3.44Å; E57-E60 PolarHBondContact O-N 2.92Å; E60-E62 PolarHBondContact O-N 2.91Å; E60-V63 PolarHBondContact O-N 2.81Å; E60-N64 VanDerWaalsContact CD-ND2 3.34Å; E60-N64 PolarHBondContact O-N 2.82Å; E60-N64 VanDerWaalsContact OE1-CB 3.26Å; E60-N64 WeakPolarHBondContact OE1-CB 3.37Å; E60-N64 PolarHBondContact OE1-ND2 2.85Å; E60-N64 PolarHBondContact OE2-ND2 2.87Å; E60-G65 PolarHBondContact O-N 2.72Å; E60-I66 HydrophobicContact CB-CG2 4.31Å; E60-I66 HydrophobicContact CG-CG2 3.77Å
61A98.5Very high97.8Very high0 Ų030.8 Ų30.80%017%0.165CC..Hα-helixtrans-61.2-30.8175.600000113.5F35 E57 L59 I66 K86 L87F35-A61 HydrophobicContact CE1-CB 4.2Å; F35-A61 HydrophobicContact CZ-CB 4.37Å; E57-A61 WeakPolarHBondContact O-CB 3.4Å; E57-A61 PolarHBondContact O-N 3.07Å; E57-A61 VanDerWaalsContact O-N 3.07Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A61 PolarHBondContact O-N 3.29Å; A61-I66 HydrophobicContact CB-CB 4.5Å; A61-I66 HydrophobicContact CB-CD1 3.68Å; A61-I66 HydrophobicContact CB-CG1 3.66Å; A61-I66 HydrophobicContact CB-CG2 4.1Å; A61-K86 WeakPolarHBondContact O-CA 3.38Å; A61-L87 HydrophobicContact CB-CD1 3.91Å; A61-L87 HydrophobicContact CB-CG 4.41Å; A61-L87 PolarHBondContact O-N 3.21Å
62E97.9Very high97.2Very high10 Ų1034 Ų345%0.04719%0.185CC..Hα-helixtrans-83.6-37.9-179-70.8168.7-167.100112.7S58 L59 E60 L87 F89 T90 R144S58-E62 WeakPolarHBondContact O-CG 3.26Å; S58-E62 PolarHBondContact O-N 2.9Å; L59-E62 PolarHBondContact O-N 3.31Å; L59-E62 VanDerWaalsContact O-N 3.08Å; E60-E62 PolarHBondContact O-N 2.91Å; E62-L87 WeakPolarHBondContact CA-O 3.46Å; E62-L87 HydrophobicContact CG-CB 4.17Å; E62-F89 HydrophobicContact CB-CD2 4.41Å; E62-F89 WeakPolarHBondContact OE2-CD2 3.5Å; E62-T90 VanDerWaalsContact CD-N 3.35Å; E62-T90 WeakPolarHBondContact OE1-CB 3.43Å; E62-T90 WeakPolarHBondContact OE1-CG2 3.26Å; E62-T90 PolarHBondContact OE1-OG1 3.34Å; E62-T90 PolarHBondContact OE2-N 3.13Å; E62-T90 PolarHBondContact OE2-OG1 3.45Å; E62-R144 VanDerWaalsContact CD-NH2 3.34Å; E62-R144 IonicContact OE1-CZ 2.86Å; E62-R144 IonicContact OE1-NH2 3.5Å; E62-R144 PolarHBondContact OE1-NH2 3.15Å; E62-R144 IonicContact OE2-CZ 3.95Å; E62-R144 IonicContact OE2-NE 2.78Å; E62-R144 PolarHBondContact OE2-NE 3.3Å; E62-R144 IonicContact OE2-NH2 3.59Å; E62-R144 PolarHBondContact OE2-NH2 3.5Å
63V97.9Very high96.4Very high71 Ų7139.9 Ų39.943%0.4321%0.212SC..Hα-helixtrans-89.4-54.1-173.9177.40000111.5L59 E60 K86L59-V63 HydrophobicContact CD1-CG2 3.73Å; L59-V63 HydrophobicContact CG-CG2 4.08Å; L59-V63 WeakPolarHBondContact O-CG2 3.42Å; L59-V63 PolarHBondContact O-N 2.85Å; E60-V63 PolarHBondContact O-N 2.81Å; V63-K86 WeakPolarHBondContact O-CE 3.18Å; V63-K86 PolarHBondContact O-NZ 3.43Å
64N97.8Very high95.6Very high101 Ų10145.9 Ų45.954%0.5424%0.238SC..THydrogen-bonded Turntrans-102.7-30.4-172.3-64.8-38.1000112E60E60-N64 VanDerWaalsContact CD-ND2 3.34Å; E60-N64 PolarHBondContact O-N 2.82Å; E60-N64 VanDerWaalsContact OE1-CB 3.26Å; E60-N64 WeakPolarHBondContact OE1-CB 3.37Å; E60-N64 PolarHBondContact OE1-ND2 2.85Å; E60-N64 PolarHBondContact OE2-ND2 2.87Å
65G98Very high94.8Very high11 Ų1152.7 Ų52.711%0.11328%0.275CS..  trans87.2151.9-168.900000111.4E60 L85E60-G65 PolarHBondContact O-N 2.72Å; G65-L85 VanDerWaalsContact CA-O 3.31Å; G65-L85 WeakPolarHBondContact CA-O 3.29Å
66I98.1Very high94Very high5 Ų557.3 Ų57.33%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-123.9144.7-176.850.7166.8000110.9E60 A61 V68 L85 I244E60-I66 HydrophobicContact CB-CG2 4.31Å; E60-I66 HydrophobicContact CG-CG2 3.77Å; A61-I66 HydrophobicContact CB-CB 4.5Å; A61-I66 HydrophobicContact CB-CD1 3.68Å; A61-I66 HydrophobicContact CB-CG1 3.66Å; A61-I66 HydrophobicContact CB-CG2 4.1Å; I66-V68 HydrophobicContact CD1-CG1 3.79Å; I66-V68 HydrophobicContact CG1-CG1 4.02Å; I66-V68 PolarHBondContact O-N 2.81Å; I66-L85 PolarHBondContact N-O 2.92Å; I66-L85 PolarHBondContact O-N 2.85Å; I66-I244 HydrophobicContact CD1-CD1 4.36Å; I66-I244 HydrophobicContact CD1-CG2 4.12Å
67I98.2Very high93.3Very high100 Ų10060.2 Ų60.251%0.51332%0.322SS..EExtended strand (participates in β ladder)trans-75.6123.9168.6-56.1-56.6000108.9Q83 C84 R233I67-Q83 WeakPolarHBondContact CA-O 3.5Å; I67-C84 HydrophobicContact CD1-CB 3.81Å; I67-R233 WeakPolarHBondContact O-CB 3.36Å
68V98.1Very high92.7Very high0 Ų067.9 Ų67.90%035%0.351CS..EExtended strand (participates in β ladder)trans-121136.7175.2-61.40000110.4I66 S82 Q83 L85 R233 L235 I244I66-V68 HydrophobicContact CD1-CG1 3.79Å; I66-V68 HydrophobicContact CG1-CG1 4.02Å; I66-V68 PolarHBondContact O-N 2.81Å; V68-S82 WeakPolarHBondContact O-CA 3.34Å; V68-Q83 HydrophobicContact CG2-CG 3.76Å; V68-Q83 PolarHBondContact N-O 3.39Å; V68-Q83 PolarHBondContact O-N 2.87Å; V68-L85 HydrophobicContact CG1-CB 4.36Å; V68-L85 HydrophobicContact CG1-CD2 4.31Å; V68-L85 HydrophobicContact CG2-CB 3.89Å; V68-L85 HydrophobicContact CG2-CD2 4.25Å; V68-R233 HydrophobicContact CG1-CB 4.1Å; V68-L235 HydrophobicContact CB-CB 4.34Å; V68-L235 HydrophobicContact CG2-CB 4.04Å; V68-I244 HydrophobicContact CG1-CG2 4.45Å
69E97.5Very high92.3Very high33 Ų3372.6 Ų72.615%0.15437%0.373CS..EExtended strand (participates in β ladder)trans-81.9140.9167.2-74.7176.9-174.700110L80 S81 K232 R233 R234 L235E69-L80 HydrophobicContact CB-CD1 3.87Å; E69-L80 HydrophobicContact CG-CD1 4.1Å; E69-L80 HydrophobicContact CG-CD2 4.46Å; E69-L80 HydrophobicContact CG-CG 4.43Å; E69-S81 CarbonylContact C-O 3.47Å; E69-S81 WeakPolarHBondContact CA-O 3.14Å; E69-K232 IonicContact OE1-NZ 3.85Å; E69-K232 PolarHBondContact OE1-NZ 3.37Å; E69-K232 VanDerWaalsContact OE2-CD 3.22Å; E69-K232 WeakPolarHBondContact OE2-CD 2.83Å; E69-K232 IonicContact OE2-NZ 2.8Å; E69-K232 PolarHBondContact OE2-NZ 2.74Å; E69-R233 PolarHBondContact N-O 3.17Å; E69-R234 HydrophobicContact CB-CG 4.16Å; E69-R234 CarbonylContact O-C 3.57Å; E69-R234 WeakPolarHBondContact O-CA 2.9Å; E69-R234 IonicContact OE2-CZ 3.48Å; E69-R234 IonicContact OE2-NE 3.37Å; E69-R234 PolarHBondContact OE2-NE 3.45Å; E69-R234 IonicContact OE2-NH2 3.25Å; E69-R234 PolarHBondContact OE2-NH2 3.27Å; E69-L235 PolarHBondContact O-N 2.65Å
70S94.3Very high91.9Very high14 Ų1474.1 Ų74.110%0.09838%0.381CS..EExtended strand (participates in β ladder)trans-126.5141169.2-56.20000108.6S81S70-S81 PolarHBondContact N-O 3.11Å; S70-S81 PolarHBondContact O-N 2.97Å; S70-S81 PolarHBondContact O-OG 2.86Å
71I90.1Very high91.7Very high88 Ų8873 Ų7345%0.45138%0.382SS..EExtended strand (participates in β ladder)trans-104.7115.4172.7-62.3173.5000106.9Y78 Q79 L80I71-Y78 HydrophobicContact CG2-CD1 3.71Å; I71-Y78 HydrophobicContact CG2-CG 4.36Å; I71-Q79 WeakPolarHBondContact CA-O 3.1Å; I71-L80 HydrophobicContact CG1-CD1 3.8Å
72T86.2Confident91.6Very high67 Ų6776.9 Ų76.941%0.41141%0.409SS..EExtended strand (participates in β ladder)trans-111.1137.4175.5550000109.6Q79T72-Q79 PolarHBondContact N-O 3.3Å; T72-Q79 PolarHBondContact O-N 3.4Å
73Q83.3Confident91.4Very high123 Ų12380.8 Ų80.858%0.57543%0.427SS*.EExtended strand (participates in β ladder)trans-91.5124.9172.2-167.3-179.312.900109.4L77 Y78Q73-L77 WeakPolarHBondContact CA-O 3.43Å; Q73-Y78 HydrophobicContact CB-CD1 4.37Å; Q73-Y78 HydrophobicContact CB-CE1 4.33Å; Q73-Y78 HydrophobicContact CG-CE1 4.35Å
74K80.8Confident91.4Very high126 Ų12681.5 Ų81.555%0.54844%0.435SS..EExtended strand (participates in β ladder)trans-133.8123173.5-171.8176.5-179.3178.20108.9S76 L77K74-S76 VanDerWaalsContact C-N 3.32Å; K74-S76 PolarHBondContact O-N 3.3Å; K74-L77 PolarHBondContact N-O 3.33Å; K74-L77 PolarHBondContact O-N 2.89Å
75N83.3Confident91.4Very high144 Ų14478.5 Ų78.577%0.7742%0.418SS*.THydrogen-bonded Turntrans50.747.8179.6-58.6-12.7000113.3L77N75-L77 PolarHBondContact O-N 2.98Å
76S81Confident91.4Very high104 Ų10484.5 Ų84.573%0.72744%0.441SS*.THydrogen-bonded Turntrans64.81.6-176.4-52.30000116.2K74K74-S76 VanDerWaalsContact C-N 3.32Å; K74-S76 PolarHBondContact O-N 3.3Å
77L85Confident91.4Very high118 Ų11885.5 Ų85.562%0.61845%0.446SS*.EExtended strand (participates in β ladder)trans-99.7136.8172.8-67.6167.7000110.4Q73 K74 N75Q73-L77 WeakPolarHBondContact CA-O 3.43Å; K74-L77 PolarHBondContact N-O 3.33Å; K74-L77 PolarHBondContact O-N 2.89Å; N75-L77 PolarHBondContact O-N 2.98Å
78Y86.4Confident91.3Very high169 Ų16984.8 Ų84.866%0.66345%0.448SS*.EExtended strand (participates in β ladder)trans-85.6126.1170.9-66-83.5000109.4I71 Q73I71-Y78 HydrophobicContact CG2-CD1 3.71Å; I71-Y78 HydrophobicContact CG2-CG 4.36Å; Q73-Y78 HydrophobicContact CB-CD1 4.37Å; Q73-Y78 HydrophobicContact CB-CE1 4.33Å; Q73-Y78 HydrophobicContact CG-CE1 4.35Å
79Q88.8Confident91.3Very high99 Ų9990.8 Ų90.846%0.46348%0.475SS..EExtended strand (participates in β ladder)trans-113.8130.8176-66.4-175.3-26.500109.3I71 T72I71-Q79 WeakPolarHBondContact CA-O 3.1Å; T72-Q79 PolarHBondContact N-O 3.3Å; T72-Q79 PolarHBondContact O-N 3.4Å
80L90.8Very high91.2Very high99 Ų9989.8 Ų89.852%0.51847%0.471SS..EExtended strand (participates in β ladder)trans-91.8122.4171.7-172.171.1000108.5E69 I71E69-L80 HydrophobicContact CB-CD1 3.87Å; E69-L80 HydrophobicContact CG-CD1 4.1Å; E69-L80 HydrophobicContact CG-CD2 4.46Å; E69-L80 HydrophobicContact CG-CG 4.43Å; I71-L80 HydrophobicContact CG1-CD1 3.8Å
81S93.7Very high91.4Very high51 Ų5195.7 Ų95.736%0.35750%0.495SS..EExtended strand (participates in β ladder)trans-119.3145.6172.2610000110E69 S70E69-S81 CarbonylContact C-O 3.47Å; E69-S81 WeakPolarHBondContact CA-O 3.14Å; S70-S81 PolarHBondContact N-O 3.11Å; S70-S81 PolarHBondContact O-N 2.97Å; S70-S81 PolarHBondContact O-OG 2.86Å
82S95.8Very high91.8Very high81 Ų8192.8 Ų92.857%0.56648%0.478SS*.EExtended strand (participates in β ladder)trans-111.3140.5170.1-64.30000109.8V68V68-S82 WeakPolarHBondContact O-CA 3.34Å
83Q95.4Very high92.4Very high92 Ų9289.6 Ų89.643%0.4346%0.459SS..EExtended strand (participates in β ladder)trans-140.9152.4174.961.9-179.5-12.900110.8I67 V68I67-Q83 WeakPolarHBondContact CA-O 3.5Å; V68-Q83 HydrophobicContact CG2-CG 3.76Å; V68-Q83 PolarHBondContact N-O 3.39Å; V68-Q83 PolarHBondContact O-N 2.87Å
84C97.1Very high93.1Very high87 Ų8783.8 Ų83.859%0.58843%0.432SS*.EExtended strand (participates in β ladder)trans-81.6119.3167.6-173.50000109.1I67I67-C84 HydrophobicContact CD1-CB 3.81Å
85L97.2Very high94Very high37 Ų3777.9 Ų77.919%0.19441%0.406CS..EExtended strand (participates in β ladder)trans-108.1111.3177.7179.464.3000109.1G65 I66 V68 L87 I244G65-L85 VanDerWaalsContact CA-O 3.31Å; G65-L85 WeakPolarHBondContact CA-O 3.29Å; I66-L85 PolarHBondContact N-O 2.92Å; I66-L85 PolarHBondContact O-N 2.85Å; V68-L85 HydrophobicContact CG1-CB 4.36Å; V68-L85 HydrophobicContact CG1-CD2 4.31Å; V68-L85 HydrophobicContact CG2-CB 3.89Å; V68-L85 HydrophobicContact CG2-CD2 4.25Å; L85-L87 HydrophobicContact CD1-CD2 4.09Å; L85-L87 HydrophobicContact CD2-CD2 4.18Å; L85-L87 HydrophobicContact CD2-CG 4.5Å; L85-L87 HydrophobicContact CG-CD2 4.05Å; L85-L87 HydrophobicContact CG-CG 4.25Å; L85-I244 HydrophobicContact CD2-CD1 3.67Å; L85-I244 HydrophobicContact CD2-CG1 4.16Å
86K97.9Very high94.7Very high137 Ų13771 Ų7160%0.59637%0.37SS*.  trans-105.1121.4170.5-173.1167.8-176160.70109.9A61 V63A61-K86 WeakPolarHBondContact O-CA 3.38Å; V63-K86 WeakPolarHBondContact O-CE 3.18Å; V63-K86 PolarHBondContact O-NZ 3.43Å
87L97.9Very high95.5Very high26 Ų2667.7 Ų67.714%0.13634%0.343CS..PPolyproline II helixtrans-98.3155.9-174.9-67.3174.7000112.4T33 F35 A61 E62 L85 I244T33-L87 HydrophobicContact CG2-CD1 3.88Å; F35-L87 HydrophobicContact CE1-CD1 4.15Å; F35-L87 HydrophobicContact CE2-CD1 4.35Å; F35-L87 HydrophobicContact CZ-CD1 3.49Å; F35-L87 VanDerWaalsContact CZ-CD1 3.49Å; A61-L87 HydrophobicContact CB-CD1 3.91Å; A61-L87 HydrophobicContact CB-CG 4.41Å; A61-L87 PolarHBondContact O-N 3.21Å; E62-L87 WeakPolarHBondContact CA-O 3.46Å; E62-L87 HydrophobicContact CG-CB 4.17Å; L85-L87 HydrophobicContact CD1-CD2 4.09Å; L85-L87 HydrophobicContact CD2-CD2 4.18Å; L85-L87 HydrophobicContact CD2-CG 4.5Å; L85-L87 HydrophobicContact CG-CD2 4.05Å; L85-L87 HydrophobicContact CG-CG 4.25Å; L87-I244 HydrophobicContact CD1-CD1 3.67Å
88P97Very high96.2Very high85 Ų8562.5 Ų62.555%0.55232%0.317SS*.PPolyproline II helixtrans-64.1136.1169.8-19.131.8000111.5
89F97.4Very high96.7Very high126 Ų12655.2 Ų55.255%0.55329%0.289SS*.PPolyproline II helixtrans-56.3137.3177.6-178.1-99.3000113L59 E62 K91L59-F89 HydrophobicContact CD1-CD2 4.44Å; L59-F89 HydrophobicContact CD1-CE2 3.9Å; E62-F89 HydrophobicContact CB-CD2 4.41Å; E62-F89 WeakPolarHBondContact OE2-CD2 3.5Å; F89-K91 HydrophobicContact CE1-CG 4.24Å
90T97Very high97.1Very high13 Ų1350.5 Ų50.58%0.0827%0.267CS..  trans-116.3134.5177670000111.8E62 R144E62-T90 VanDerWaalsContact CD-N 3.35Å; E62-T90 WeakPolarHBondContact OE1-CB 3.43Å; E62-T90 WeakPolarHBondContact OE1-CG2 3.26Å; E62-T90 PolarHBondContact OE1-OG1 3.34Å; E62-T90 PolarHBondContact OE2-N 3.13Å; E62-T90 PolarHBondContact OE2-OG1 3.45Å; T90-R144 WeakPolarHBondContact O-CD 3.4Å; T90-R144 PolarHBondContact O-NE 3.36Å; T90-R144 PolarHBondContact OG1-NE 2.94Å; T90-R144 PolarHBondContact OG1-NH2 3.45Å; T90-R144 VanDerWaalsContact OG1-NH2 3.16Å
91K97.5Very high97.4Very high138 Ų13845.8 Ų45.860%0.624%0.243SC*.SBendtrans-78.6-19.4-176.7-63.1-178179.6-178.20114.2F89 M111 R144F89-K91 HydrophobicContact CE1-CG 4.24Å; K91-M111 HydrophobicContact CB-SD 4.16Å; K91-M111 HydrophobicContact CD-SD 3.91Å; K91-R144 PolarHBondContact O-N 3.45Å
92Y98.5Very high97.6Very high26 Ų2643.4 Ų43.410%0.10223%0.226CC..EExtended strand (participates in β ladder)trans-151.8156-169.171.9-76.2000112M1 A2 V30 Y109 M111 I141 I142M1-Y92 WeakPolarHBondContact CA-O 3.36Å; M1-Y92 HydrophobicContact CB-CD1 4.48Å; M1-Y92 HydrophobicContact CB-CD2 4.23Å; M1-Y92 HydrophobicContact CB-CE1 3.97Å; M1-Y92 HydrophobicContact CB-CE2 3.75Å; M1-Y92 HydrophobicContact CG-CD2 3.71Å; M1-Y92 HydrophobicContact CG-CE1 4.49Å; M1-Y92 HydrophobicContact CG-CE2 3.47Å; M1-Y92 VanDerWaalsContact CG-CE2 3.47Å; M1-Y92 HydrophobicContact CG-CG 4.38Å; M1-Y92 HydrophobicContact SD-CD2 3.93Å; M1-Y92 HydrophobicContact SD-CE2 3.29Å; M1-Y92 WeakPolarHBondContact SD-CE2 3.43Å; A2-Y92 PolarHBondContact N-O 2.8Å; V30-Y92 WeakPolarHBondContact CG1-OH 3.26Å; Y92-Y109 PolarHBondContact OH-O 2.87Å; Y92-M111 HydrophobicContact CD1-CB 4.07Å; Y92-M111 HydrophobicContact CD1-CG 4Å; Y92-M111 HydrophobicContact CE1-CB 4.06Å; Y92-M111 HydrophobicContact CE1-CG 4.48Å; Y92-M111 HydrophobicContact CG-CB 4.5Å; Y92-M111 HydrophobicContact CG-CG 4.32Å; Y92-I141 HydrophobicContact CD2-CG2 3.39Å; Y92-I141 HydrophobicContact CE2-CG2 3.71Å; Y92-I142 CarbonylContact C-O 3.57Å; Y92-I142 WeakPolarHBondContact CA-O 3.45Å; Y92-I142 WeakPolarHBondContact CB-O 3.19Å
93L98.8Very high97.7Very high1 Ų142.5 Ų42.51%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-111.6146.2-174.3-53.5177.9000109.4A2 L4 A55 L95 I141 I142 R144 Y147A2-L93 HydrophobicContact CB-CD2 3.88Å; A2-L93 CarbonylContact O-C 3.51Å; A2-L93 WeakPolarHBondContact O-CA 3.31Å; L4-L93 HydrophobicContact CD1-CB 4.35Å; L4-L93 HydrophobicContact CD1-CD1 3.99Å; L4-L93 HydrophobicContact CD1-CD2 4.1Å; L4-L93 HydrophobicContact CD1-CG 4.37Å; L4-L93 HydrophobicContact CG-CD2 4.44Å; A55-L93 HydrophobicContact CB-CD1 3.9Å; L93-L95 HydrophobicContact CB-CD2 4.23Å; L93-I141 WeakPolarHBondContact O-CA 3.36Å; L93-I142 HydrophobicContact CB-CG2 4.15Å; L93-I142 PolarHBondContact N-O 3.3Å; L93-I142 PolarHBondContact O-N 2.85Å; L93-R144 HydrophobicContact CD1-CG 4.46Å; L93-R144 HydrophobicContact CD2-CG 3.92Å; L93-R144 HydrophobicContact CG-CG 3.96Å; L93-Y147 HydrophobicContact CD1-CD1 4.2Å; L93-Y147 HydrophobicContact CD1-CD2 4.35Å; L93-Y147 HydrophobicContact CD1-CG 3.99Å
94A98.8Very high97.8Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-109.5114.9158.400000108.5M1 A2 L4 I141M1-A94 HydrophobicContact CE-CB 4.18Å; M1-A94 HydrophobicContact CG-CB 4.27Å; M1-A94 HydrophobicContact SD-CB 3.58Å; M1-A94 VanDerWaalsContact SD-CB 3.58Å; A2-A94 PolarHBondContact O-N 3.35Å; L4-A94 PolarHBondContact N-O 2.98Å; A94-I141 HydrophobicContact CB-CG1 4.38Å
95L98.7Very high97.8Very high3 Ų338.3 Ų38.32%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-84.2109.5171-42.7-177.9000106.4L4 L51 L93 V139 L140 I142 Y147 M153 F167L4-L95 HydrophobicContact CD1-CD2 4Å; L51-L95 HydrophobicContact CD1-CB 4.06Å; L51-L95 HydrophobicContact CD1-CD1 4.45Å; L51-L95 HydrophobicContact CD2-CB 3.96Å; L51-L95 HydrophobicContact CD2-CD2 4.04Å; L93-L95 HydrophobicContact CB-CD2 4.23Å; L95-V139 WeakPolarHBondContact O-CA 3.29Å; L95-L140 HydrophobicContact CD1-CB 4.49Å; L95-L140 HydrophobicContact CD1-CD2 4.06Å; L95-L140 PolarHBondContact N-O 2.87Å; L95-L140 PolarHBondContact O-N 3.44Å; L95-I142 HydrophobicContact CD1-CG2 4.42Å; L95-I142 HydrophobicContact CG-CG2 4.37Å; L95-Y147 HydrophobicContact CD1-CD2 4.37Å; L95-Y147 HydrophobicContact CD1-CE2 3.86Å; L95-Y147 HydrophobicContact CD2-CE2 4.06Å; L95-M153 HydrophobicContact CD1-SD 4.39Å; L95-F167 HydrophobicContact CD1-CE1 4.06Å
96H98.7Very high97.7Very high0 Ų037.9 Ų37.90%019%0.194CC..EExtended strand (participates in β ladder)trans-133.8122-161.4-150.6-52.3000112.7V3 L4 P6 F17 L100 Y109 V139V3-H96 HydrophobicContact CG1-CB 4.11Å; L4-H96 PolarHBondContact O-N 3.19Å; P6-H96 VanDerWaalsContact CD-O 3.29Å; P6-H96 WeakPolarHBondContact CD-O 3.43Å; F17-H96 AromaticContact CE2-CE1 3.66Å; F17-H96 AromaticContact CE2-ND1 3.43Å; F17-H96 WeakPolarHBondContact CE2-ND1 3.22Å; F17-H96 HydrophobicContact CZ-CB 4.41Å; F17-H96 AromaticContact CZ-CG 3.98Å; F17-H96 AromaticContact CZ-ND1 3.88Å; H96-L100 PolarHBondContact CE1-O 3.03Å; H96-Y109 AromaticContact CD2-CE1 3.81Å; H96-Y109 AromaticContact NE2-CE1 3.75Å; H96-Y109 AromaticContact NE2-CZ 3.69Å; H96-Y109 PolarHBondContact NE2-OH 2.96Å; H96-V139 WeakPolarHBondContact CE1-CG2 3.41Å
97D98.1Very high97.7Very high33 Ų3331.3 Ų31.318%0.17617%0.165CC..  trans-70.2138.9169-64.3-2.7000110R47 D99 L100 G138R47-D97 IonicContact CZ-OD1 3.86Å; R47-D97 VanDerWaalsContact CZ-OD1 3.24Å; R47-D97 IonicContact NE-OD1 3.47Å; R47-D97 PolarHBondContact NE-OD1 2.61Å; R47-D97 IonicContact NH2-OD1 3.74Å; R47-D97 PolarHBondContact NH2-OD1 3.15Å; D97-D99 VanDerWaalsContact C-N 3.26Å; D97-D99 PolarHBondContact O-N 3.43Å; D97-L100 HydrophobicContact CB-CD1 4.07Å; D97-L100 HydrophobicContact CB-CG 4.36Å; D97-G138 PolarHBondContact N-O 2.88Å; D97-G138 VanDerWaalsContact N-O 3.09Å; D97-G138 WeakPolarHBondContact OD2-CA 3.33Å
98V98.1Very high97.7Very high9 Ų934.8 Ų34.86%0.05518%0.179CC..THydrogen-bonded Turntrans-69.7-22.9-175.869.40000113.1V5 F7 R10 E13 L14 F17V5-V98 HydrophobicContact CG1-CB 3.67Å; V5-V98 HydrophobicContact CG1-CG2 4.08Å; F7-V98 HydrophobicContact CD2-CG2 4.39Å; F7-V98 HydrophobicContact CE2-CG2 4.37Å; R10-V98 HydrophobicContact CB-CG1 3.79Å; R10-V98 HydrophobicContact CG-CG1 4.03Å; E13-V98 HydrophobicContact CB-CG1 4.23Å; E13-V98 HydrophobicContact CB-CG2 4.23Å; L14-V98 HydrophobicContact CB-CG2 4.24Å; L14-V98 HydrophobicContact CD1-CG2 3.91Å; F17-V98 HydrophobicContact CB-CG2 3.93Å; F17-V98 WeakPolarHBondContact CB-O 3.09Å; F17-V98 HydrophobicContact CD1-CG2 4.31Å; F17-V98 HydrophobicContact CD2-CG2 4.45Å; F17-V98 VanDerWaalsContact CD2-O 3.26Å; F17-V98 WeakPolarHBondContact CD2-O 3.32Å; F17-V98 HydrophobicContact CG-CG2 3.98Å
99D96.8Very high97.7Very high16 Ų1630.7 Ų30.79%0.08615%0.153CC..THydrogen-bonded Turntrans-97.32.2-174.264.3-9.1000113.7E13 D97 H193 I194 H195E13-D99 HydrophobicContact CG-CB 4.3Å; D97-D99 VanDerWaalsContact C-N 3.26Å; D97-D99 PolarHBondContact O-N 3.43Å; D99-H193 CarbonylContact O-C 3.59Å; D99-H193 WeakPolarHBondContact O-CA 3.14Å; D99-H193 PolarHBondContact O-CD2 3.27Å; D99-H193 IonicContact OD1-CD2 3.05Å; D99-H193 IonicContact OD1-NE2 2.91Å; D99-H193 IonicContact OD2-CD2 3.3Å; D99-H193 IonicContact OD2-NE2 3.4Å; D99-H193 PolarHBondContact OD2-NE2 3.35Å; D99-I194 HydrophobicContact CB-CG1 4.12Å; D99-I194 WeakPolarHBondContact O-CG1 3.27Å; D99-I194 PolarHBondContact O-N 2.8Å; D99-H195 IonicContact OD2-CE1 3.44Å; D99-H195 IonicContact OD2-CG 3.79Å; D99-H195 IonicContact OD2-ND1 2.89Å; D99-H195 PolarHBondContact OD2-ND1 3.44Å
100L97.5Very high97.6Very high1 Ų128.7 Ų28.71%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-106.9118177.2-71.6173.5000110.1H96 D97 I121 V139 F191 H193H96-L100 PolarHBondContact CE1-O 3.03Å; D97-L100 HydrophobicContact CB-CD1 4.07Å; D97-L100 HydrophobicContact CB-CG 4.36Å; L100-I121 HydrophobicContact CD1-CD1 3.98Å; L100-I121 HydrophobicContact CD1-CG2 4.37Å; L100-I121 HydrophobicContact CD2-CD1 3.76Å; L100-I121 HydrophobicContact CG-CD1 4.43Å; L100-V139 HydrophobicContact CB-CG2 4.3Å; L100-V139 HydrophobicContact CD1-CG2 4.38Å; L100-F191 HydrophobicContact CB-CD1 4.42Å; L100-H193 HydrophobicContact CD2-CB 3.95Å
101L98Very high97.5Very high0 Ų032.5 Ų32.50%017%0.166CC..EExtended strand (participates in β ladder)trans-114.1122.3-177.8-56.2-177.6000110F17 H20 E103 F191 R192 I194F17-L101 HydrophobicContact CB-CD2 4.23Å; F17-L101 HydrophobicContact CD2-CD2 3.8Å; F17-L101 HydrophobicContact CG-CD2 4.47Å; H20-L101 HydrophobicContact CB-CD1 4.42Å; H20-L101 HydrophobicContact CB-CD2 4.35Å; L101-E103 PolarHBondContact O-N 2.94Å; L101-F191 CarbonylContact O-C 3.53Å; L101-F191 VanDerWaalsContact O-CA 3.27Å; L101-F191 WeakPolarHBondContact O-CA 3.36Å; L101-R192 HydrophobicContact CB-CB 4.33Å; L101-R192 PolarHBondContact N-O 2.8Å; L101-R192 PolarHBondContact O-N 2.91Å; L101-I194 HydrophobicContact CD1-CD1 4.01Å; L101-I194 HydrophobicContact CD1-CG1 4.37Å; L101-I194 HydrophobicContact CD1-CG2 4.22Å; L101-I194 HydrophobicContact CG-CD1 4.37Å; L101-I194 HydrophobicContact CG-CG1 4.46Å
102P98Very high97.5Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-71.1129.6176.631-36.5000110.4H20 L21 F24 L107 Y109 F191H20-P102 PolarHBondContact NE2-O 3.23Å; L21-P102 HydrophobicContact CD1-CG 3.88Å; F24-P102 HydrophobicContact CB-CG 4.49Å; F24-P102 HydrophobicContact CD1-CB 4.22Å; F24-P102 HydrophobicContact CD1-CG 3.65Å; F24-P102 HydrophobicContact CD2-CB 4.35Å; F24-P102 HydrophobicContact CD2-CG 4.08Å; F24-P102 WeakPolarHBondContact CD2-O 3.36Å; F24-P102 HydrophobicContact CE1-CB 3.83Å; F24-P102 HydrophobicContact CE1-CG 3.78Å; F24-P102 HydrophobicContact CE2-CB 3.99Å; F24-P102 HydrophobicContact CE2-CG 4.22Å; F24-P102 HydrophobicContact CG-CB 4.47Å; F24-P102 HydrophobicContact CG-CG 3.81Å; F24-P102 HydrophobicContact CZ-CB 3.73Å; F24-P102 HydrophobicContact CZ-CG 4.09Å; P102-L107 HydrophobicContact CB-CD1 3.76Å; P102-Y109 HydrophobicContact CB-CE2 4.17Å; P102-Y109 HydrophobicContact CG-CE2 4Å; P102-Y109 WeakPolarHBondContact CG-OH 3.35Å; P102-F191 HydrophobicContact CB-CD1 4.34Å; P102-F191 HydrophobicContact CB-CE1 3.86Å; P102-F191 HydrophobicContact CB-CZ 4.3Å
103E97.8Very high97.4Very high62 Ų6227.3 Ų27.329%0.2915%0.151SC..  trans-110-37.8179.5-63-67.4168.400111.4H20 L101 P105 M186 K189 A190 R192H20-E103 IonicContact CE1-OE1 3Å; H20-E103 PolarHBondContact CE1-OE1 3.13Å; H20-E103 IonicContact CE1-OE2 3.56Å; L101-E103 PolarHBondContact O-N 2.94Å; E103-P105 WeakPolarHBondContact O-CD 3.2Å; E103-M186 HydrophobicContact CB-CE 4Å; E103-M186 HydrophobicContact CB-SD 4.39Å; E103-K189 WeakPolarHBondContact CB-O 3.41Å; E103-A190 PolarHBondContact N-O 2.81Å; E103-R192 HydrophobicContact CG-CB 3.86Å; E103-R192 VanDerWaalsContact OE1-CB 3.3Å; E103-R192 WeakPolarHBondContact OE1-CB 3.47Å; E103-R192 IonicContact OE1-CZ 2.82Å; E103-R192 IonicContact OE1-NE 3.93Å; E103-R192 PolarHBondContact OE1-NE 3.06Å; E103-R192 IonicContact OE1-NH2 3.54Å
104D97.4Very high97.3Very high6 Ų633.8 Ų33.83%0.03218%0.181CC..  trans-77.9120-178.7-166.1-40000111.2F24 A106 L107 V184 T185 M186 A190F24-D104 WeakPolarHBondContact CZ-O 3.41Å; D104-A106 PolarHBondContact O-N 3.11Å; D104-A106 WeakPolarHBondContact OD1-CB 2.99Å; D104-A106 PolarHBondContact OD1-N 3.36Å; D104-L107 HydrophobicContact CB-CD1 4.22Å; D104-L107 HydrophobicContact CB-CG 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.39Å; D104-L107 WeakPolarHBondContact O-CG 3.24Å; D104-L107 PolarHBondContact O-N 3.17Å; D104-V184 HydrophobicContact CB-CG1 4.16Å; D104-V184 WeakPolarHBondContact OD2-CG1 3.46Å; D104-T185 PolarHBondContact OD2-N 3.09Å; D104-T185 PolarHBondContact OD2-OG1 3.49Å; D104-M186 VanDerWaalsContact CA-SD 3.53Å; D104-M186 HydrophobicContact CB-CB 4.11Å; D104-M186 HydrophobicContact CB-CG 3.99Å; D104-M186 HydrophobicContact CB-SD 3.69Å; D104-M186 WeakPolarHBondContact OD2-CG 3.47Å; D104-M186 PolarHBondContact OD2-N 3.46Å; D104-A190 HydrophobicContact CB-CB 3.87Å; D104-A190 PolarHBondContact N-O 2.9Å
105P96.2Very high97.1Very high86 Ų8638.8 Ų38.856%0.55821%0.207SC*.THydrogen-bonded Turntrans-60.1-15.3177.8-23.234.4000114.6E103 L107 K108E103-P105 WeakPolarHBondContact O-CD 3.2Å; P105-L107 PolarHBondContact O-N 2.79Å; P105-K108 VanDerWaalsContact O-CE 3.31Å; P105-K108 WeakPolarHBondContact O-CE 3.31Å; P105-K108 PolarHBondContact O-NZ 2.83Å
106A96.3Very high97Very high27 Ų2738.6 Ų38.622%0.22321%0.206CC..THydrogen-bonded Turntrans-69.7-17.517300000113.2D104 K108 N183 V184D104-A106 PolarHBondContact O-N 3.11Å; D104-A106 WeakPolarHBondContact OD1-CB 2.99Å; D104-A106 PolarHBondContact OD1-N 3.36Å; A106-K108 PolarHBondContact O-N 3.44Å; A106-N183 WeakPolarHBondContact CB-O 3.45Å; A106-V184 HydrophobicContact CB-CG2 4.27Å
107L97.2Very high97Very high0 Ų038.6 Ų38.60%021%0.206CC..  trans-72.993.1174.9-62.2167.4000110.3F24 Q28 P102 D104 P105 L120 L125 P181 V184 A190 F191F24-L107 WeakPolarHBondContact CE1-O 3.35Å; F24-L107 HydrophobicContact CZ-CB 4.1Å; F24-L107 WeakPolarHBondContact CZ-O 3.34Å; Q28-L107 PolarHBondContact NE2-O 2.79Å; P102-L107 HydrophobicContact CB-CD1 3.76Å; D104-L107 HydrophobicContact CB-CD1 4.22Å; D104-L107 HydrophobicContact CB-CG 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.39Å; D104-L107 WeakPolarHBondContact O-CG 3.24Å; D104-L107 PolarHBondContact O-N 3.17Å; P105-L107 PolarHBondContact O-N 2.79Å; L107-L120 WeakPolarHBondContact CD2-O 3.49Å; L107-L125 HydrophobicContact CD2-CD1 4.22Å; L107-P181 HydrophobicContact CD2-CB 4.15Å; L107-P181 HydrophobicContact CD2-CG 3.81Å; L107-V184 HydrophobicContact CD2-CG2 3.82Å; L107-V184 HydrophobicContact CG-CG2 4.42Å; L107-A190 HydrophobicContact CD1-CB 4.31Å; L107-A190 WeakPolarHBondContact CD1-O 3.43Å; L107-F191 HydrophobicContact CD1-CD2 3.85Å; L107-F191 HydrophobicContact CD1-CE1 4.25Å; L107-F191 HydrophobicContact CD1-CE2 3.3Å; L107-F191 HydrophobicContact CD1-CZ 3.54Å; L107-F191 HydrophobicContact CD2-CE2 3.63Å; L107-F191 HydrophobicContact CD2-CZ 4.1Å; L107-F191 HydrophobicContact CG-CE2 4.09Å; L107-F191 HydrophobicContact CG-CZ 4.36Å
108K97.1Very high97Very high98 Ų9838.3 Ų38.343%0.42620%0.204SC..  trans-89.6122.6-174.9-58.5-50.2-174.1-172.80113P105 A106 N110P105-K108 VanDerWaalsContact O-CE 3.31Å; P105-K108 WeakPolarHBondContact O-CE 3.31Å; P105-K108 PolarHBondContact O-NZ 2.83Å; A106-K108 PolarHBondContact O-N 3.44Å; K108-N110 PolarHBondContact O-N 2.67Å
109Y97.8Very high97Very high0 Ų038.2 Ų38.20%020%0.203CC..  trans-8541176.3-76.9-112.8000112.9M1 L21 F24 L25 Y92 H96 P102 L120 V139 I141M1-Y109 HydrophobicContact CE-CD1 3.94Å; M1-Y109 HydrophobicContact SD-CD1 4.27Å; L21-Y109 HydrophobicContact CD1-CE1 4.14Å; L21-Y109 HydrophobicContact CD1-CE2 4.44Å; F24-Y109 HydrophobicContact CD1-CD2 4.19Å; F24-Y109 HydrophobicContact CD1-CE2 4.03Å; F24-Y109 AromaticContact CE1-CD2 3.77Å; F24-Y109 HydrophobicContact CE1-CD2 3.77Å; F24-Y109 AromaticContact CE1-CE2 3.62Å; F24-Y109 HydrophobicContact CE1-CE2 3.62Å; L25-Y109 VanDerWaalsContact CD2-CB 3.41Å; L25-Y109 HydrophobicContact CD2-CD1 3.66Å; L25-Y109 HydrophobicContact CD2-CD2 3.92Å; L25-Y109 HydrophobicContact CD2-CE1 4.36Å; L25-Y109 HydrophobicContact CD2-CG 3.39Å; Y92-Y109 PolarHBondContact OH-O 2.87Å; H96-Y109 AromaticContact CD2-CE1 3.81Å; H96-Y109 AromaticContact NE2-CE1 3.75Å; H96-Y109 AromaticContact NE2-CZ 3.69Å; H96-Y109 PolarHBondContact NE2-OH 2.96Å; P102-Y109 HydrophobicContact CB-CE2 4.17Å; P102-Y109 HydrophobicContact CG-CE2 4Å; P102-Y109 WeakPolarHBondContact CG-OH 3.35Å; Y109-L120 HydrophobicContact CD1-CD1 3.86Å; Y109-L120 HydrophobicContact CD2-CD1 3.66Å; Y109-L120 HydrophobicContact CE1-CD1 3.58Å; Y109-L120 HydrophobicContact CE2-CD1 3.34Å; Y109-L120 HydrophobicContact CG-CD1 3.92Å; Y109-V139 HydrophobicContact CE1-CG1 4.19Å; Y109-I141 VanDerWaalsContact CA-CD1 3.48Å; Y109-I141 HydrophobicContact CD1-CD1 3.67Å; Y109-I141 HydrophobicContact CD1-CG1 4.46Å; Y109-I141 HydrophobicContact CE1-CD1 4.4Å; Y109-I141 HydrophobicContact CG-CD1 3.85Å
110N94.4Very high97Very high83 Ų8337.5 Ų37.544%0.44420%0.199SC..PPolyproline II helixtrans-74.4161-176-69.4-17.3000111.8K108 P112K108-N110 PolarHBondContact O-N 2.67Å; N110-P112 WeakPolarHBondContact O-CD 3.17Å
111M96.8Very high96.9Very high93 Ų9337.4 Ų37.446%0.45820%0.199SC..PPolyproline II helixtrans-60.3126.8170-172.7177.574.100109.8K91 Y92K91-M111 HydrophobicContact CB-SD 4.16Å; K91-M111 HydrophobicContact CD-SD 3.91Å; Y92-M111 HydrophobicContact CD1-CB 4.07Å; Y92-M111 HydrophobicContact CD1-CG 4Å; Y92-M111 HydrophobicContact CE1-CB 4.06Å; Y92-M111 HydrophobicContact CE1-CG 4.48Å; Y92-M111 HydrophobicContact CG-CB 4.5Å; Y92-M111 HydrophobicContact CG-CG 4.32Å
112P96.7Very high96.8Very high1 Ų137.7 Ų37.71%0.00620%0.201CC..PPolyproline II helixtrans-60.2155.1177.2-2434.1000112.5N110 G116 I118 I141 K143N110-P112 WeakPolarHBondContact O-CD 3.17Å; P112-G116 WeakPolarHBondContact CB-O 3.44Å; P112-I118 HydrophobicContact CB-CD1 4.36Å; P112-I118 HydrophobicContact CB-CG1 4.2Å; P112-I118 HydrophobicContact CG-CD1 4.32Å; P112-I118 HydrophobicContact CG-CG1 4.32Å; P112-I141 HydrophobicContact CG-CB 4.23Å; P112-I141 HydrophobicContact CG-CG2 3.66Å; P112-I141 WeakPolarHBondContact CG-O 3.47Å; P112-K143 WeakPolarHBondContact O-CE 3.3Å; P112-K143 PolarHBondContact O-NZ 2.94Å; P112-K143 VanDerWaalsContact O-NZ 3.15Å
113S96.3Very high96.7Very high55 Ų5540.2 Ų40.239%0.38521%0.212SC..  trans-75.6176.2172.474.70000111.1L115 Q146S113-L115 PolarHBondContact O-N 3.34Å; S113-L115 WeakPolarHBondContact OG-CB 3.14Å; S113-L115 PolarHBondContact OG-N 3Å; S113-Q146 PolarHBondContact O-NE2 2.95Å
114E95.8Very high96.4Very high136 Ų13642 Ų4264%0.63622%0.217SC*.THydrogen-bonded Turntrans-67.7-16.6171.3-60.8-55.2150.600112.9G116 K143E114-G116 PolarHBondContact O-N 3.17Å; E114-K143 IonicContact OE1-NZ 3.65Å; E114-K143 PolarHBondContact OE1-NZ 2.95Å; E114-K143 IonicContact OE2-NZ 3.48Å; E114-K143 PolarHBondContact OE2-NZ 3.11Å
115L95.7Very high96.3Very high105 Ų10542 Ų4255%0.5522%0.216SC..THydrogen-bonded Turntrans-62.4-32.2178.8-64.7173.9000112.5S113 F176 K177S113-L115 PolarHBondContact O-N 3.34Å; S113-L115 WeakPolarHBondContact OG-CB 3.14Å; S113-L115 PolarHBondContact OG-N 3Å; L115-F176 CarbonylContact O-C 3.54Å; L115-F176 WeakPolarHBondContact O-CA 3.32Å; L115-K177 PolarHBondContact O-N 3.07Å
116G97.1Very high96.2Very high0 Ų038 Ų380%019%0.19CC..  trans151.4-173.7-179.400000113.5P112 E114 K177P112-G116 WeakPolarHBondContact CB-O 3.44Å; E114-G116 PolarHBondContact O-N 3.17Å; G116-K177 WeakPolarHBondContact CA-O 3.5Å
117P98.1Very high95.8Very high0 Ų039.1 Ų39.10%020%0.195CC..  trans-72.6163-177.132.7-37000112.5L140 I141 I142 L171 I178 V179P117-L140 HydrophobicContact CB-CD1 3.96Å; P117-L140 HydrophobicContact CB-CD2 4.21Å; P117-L140 HydrophobicContact CB-CG 4.07Å; P117-L140 HydrophobicContact CG-CD1 4.2Å; P117-I141 CarbonylContact C-O 3.58Å; P117-I141 WeakPolarHBondContact CA-O 3.34Å; P117-I141 WeakPolarHBondContact CB-O 3.39Å; P117-I142 HydrophobicContact CB-CB 3.94Å; P117-I142 HydrophobicContact CB-CD1 4.31Å; P117-I142 HydrophobicContact CB-CG1 4.05Å; P117-L171 HydrophobicContact CG-CD1 3.83Å; P117-L171 HydrophobicContact CG-CD2 3.89Å; P117-L171 HydrophobicContact CG-CG 4.45Å; P117-I178 HydrophobicContact CG-CG1 4.14Å; P117-V179 PolarHBondContact O-N 2.84Å
118I97.7Very high95.4Very high27 Ų2742.1 Ų42.114%0.13821%0.207CC..EExtended strand (participates in β ladder)trans-104.1115.2173.2-54.7168.1000108.4P112 L120 L140 I141 V179P112-I118 HydrophobicContact CB-CD1 4.36Å; P112-I118 HydrophobicContact CB-CG1 4.2Å; P112-I118 HydrophobicContact CG-CD1 4.32Å; P112-I118 HydrophobicContact CG-CG1 4.32Å; I118-L120 HydrophobicContact CG2-CD2 3.87Å; I118-L120 HydrophobicContact CG2-CG 4.35Å; I118-L140 CarbonylContact O-C 3.59Å; I118-L140 WeakPolarHBondContact O-CA 3.27Å; I118-I141 HydrophobicContact CB-CB 4.31Å; I118-I141 PolarHBondContact N-O 3.2Å; I118-I141 PolarHBondContact O-N 3.1Å; I118-V179 CarbonylContact C-O 3.6Å; I118-V179 VanDerWaalsContact CA-O 3.31Å; I118-V179 WeakPolarHBondContact CA-O 3.41Å
119H97.6Very high95Very high6 Ų638.5 Ų38.53%0.02819%0.191CC..EExtended strand (participates in β ladder)trans-88.8105.1170.1-179.2-143.9000108.8I121 P122 Y135 G137 V139 L140 I178 V179 T180 P181H119-I121 PolarHBondContact CE1-O 3.36Å; H119-I121 PolarHBondContact NE2-O 2.65Å; H119-P122 VanDerWaalsContact CE1-CA 3.47Å; H119-P122 WeakPolarHBondContact CE1-CA 3.42Å; H119-Y135 AromaticContact CE1-CD1 3.71Å; H119-Y135 AromaticContact CE1-CE1 3.92Å; H119-Y135 PolarHBondContact CE1-O 3.28Å; H119-Y135 AromaticContact NE2-CE1 3.82Å; H119-G137 PolarHBondContact NE2-O 3.42Å; H119-V139 PolarHBondContact CD2-O 2.86Å; H119-L140 HydrophobicContact CB-CD1 3.74Å; H119-I178 HydrophobicContact CB-CG2 3.54Å; H119-V179 PolarHBondContact N-O 3.47Å; H119-T180 HydrophobicContact CB-CG2 4.45Å; H119-P181 WeakPolarHBondContact O-CD 3.42Å
120L97.2Very high94.5Very high1 Ų144.8 Ų44.81%0.00522%0.215CC..SBendtrans-75.6-24-170.4-77.9-178000113.6L107 Y109 I118 P122 V139 I141 P181 F191L107-L120 WeakPolarHBondContact CD2-O 3.49Å; Y109-L120 HydrophobicContact CD1-CD1 3.86Å; Y109-L120 HydrophobicContact CD2-CD1 3.66Å; Y109-L120 HydrophobicContact CE1-CD1 3.58Å; Y109-L120 HydrophobicContact CE2-CD1 3.34Å; Y109-L120 HydrophobicContact CG-CD1 3.92Å; I118-L120 HydrophobicContact CG2-CD2 3.87Å; I118-L120 HydrophobicContact CG2-CG 4.35Å; L120-P122 WeakPolarHBondContact O-CD 3.37Å; L120-V139 HydrophobicContact CB-CB 4.13Å; L120-V139 HydrophobicContact CB-CG1 4.02Å; L120-V139 HydrophobicContact CD1-CG1 3.73Å; L120-V139 HydrophobicContact CG-CG1 4.32Å; L120-V139 PolarHBondContact N-O 2.86Å; L120-I141 HydrophobicContact CD1-CD1 3.51Å; L120-I141 HydrophobicContact CD1-CG1 3.99Å; L120-I141 HydrophobicContact CD2-CD1 4.41Å; L120-I141 HydrophobicContact CG-CD1 3.95Å; L120-I141 HydrophobicContact CG-CG1 4.23Å; L120-P181 HydrophobicContact CD2-CG 3.91Å; L120-P181 WeakPolarHBondContact O-CG 3.21Å; L120-F191 HydrophobicContact CB-CZ 4.03Å; L120-F191 VanDerWaalsContact O-CE2 3.26Å; L120-F191 WeakPolarHBondContact O-CE2 3.46Å
121I96.8Very high94.2Very high0 Ų048.2 Ų48.20%022%0.223CC..SBendtrans-123.264.3-177.9-167.3176.3000111.3L100 H119 H126 Y135 V139 F191L100-I121 HydrophobicContact CD1-CD1 3.98Å; L100-I121 HydrophobicContact CD1-CG2 4.37Å; L100-I121 HydrophobicContact CD2-CD1 3.76Å; L100-I121 HydrophobicContact CG-CD1 4.43Å; H119-I121 PolarHBondContact CE1-O 3.36Å; H119-I121 PolarHBondContact NE2-O 2.65Å; I121-H126 HydrophobicContact CD1-CB 4.26Å; I121-H126 HydrophobicContact CG1-CB 4.07Å; I121-Y135 HydrophobicContact CG2-CE1 4.26Å; I121-Y135 WeakPolarHBondContact O-CD1 3.43Å; I121-Y135 WeakPolarHBondContact O-CE1 3.38Å; I121-V139 HydrophobicContact CG2-CB 4.14Å; I121-V139 HydrophobicContact CG2-CG2 4.28Å; I121-F191 HydrophobicContact CB-CD2 3.89Å; I121-F191 HydrophobicContact CB-CE1 4.38Å; I121-F191 HydrophobicContact CB-CE2 3.62Å; I121-F191 HydrophobicContact CB-CG 4.37Å; I121-F191 HydrophobicContact CB-CZ 3.89Å; I121-F191 HydrophobicContact CD1-CB 3.69Å; I121-F191 HydrophobicContact CD1-CD1 3.95Å; I121-F191 HydrophobicContact CD1-CD2 3.7Å; I121-F191 HydrophobicContact CD1-CE2 4.3Å; I121-F191 HydrophobicContact CD1-CG 3.5Å; I121-F191 VanDerWaalsContact CD1-CG 3.5Å; I121-F191 HydrophobicContact CG1-CB 4.45Å; I121-F191 HydrophobicContact CG1-CD2 3.58Å; I121-F191 HydrophobicContact CG1-CE2 3.87Å; I121-F191 HydrophobicContact CG1-CG 3.95Å; I121-F191 HydrophobicContact CG1-CZ 4.47Å
122P95.6Very high93.9Very high5 Ų546.9 Ų46.93%0.03222%0.215CC..  trans-57.8162.217229.2-38000111.5H119 L120 Y124 L125 H126 T180H119-P122 VanDerWaalsContact CE1-CA 3.47Å; H119-P122 WeakPolarHBondContact CE1-CA 3.42Å; L120-P122 WeakPolarHBondContact O-CD 3.37Å; P122-Y124 HydrophobicContact CB-CD1 3.99Å; P122-Y124 HydrophobicContact CB-CE1 3.54Å; P122-Y124 HydrophobicContact CB-CE2 4.46Å; P122-Y124 HydrophobicContact CG-CD1 4.14Å; P122-Y124 HydrophobicContact CG-CD2 4.19Å; P122-Y124 HydrophobicContact CG-CE1 3.55Å; P122-Y124 HydrophobicContact CG-CE2 3.59Å; P122-Y124 HydrophobicContact CG-CG 4.44Å; P122-Y124 WeakPolarHBondContact CG-OH 3.5Å; P122-Y124 PolarHBondContact O-N 3.45Å; P122-L125 HydrophobicContact CG-CD1 4.13Å; P122-L125 HydrophobicContact CG-CG 4.13Å; P122-L125 PolarHBondContact O-N 2.87Å; P122-H126 PolarHBondContact O-N 2.68Å; P122-T180 HydrophobicContact CB-CG2 3.73Å; P122-T180 HydrophobicContact CG-CG2 4Å
123F94.7Very high93.6Very high54 Ų5454 Ų5424%0.23725%0.246CC..G310 helixtrans-47.1-45.2-173.979.7-88.3000113L125 H126 Y130 F132 K133F123-L125 PolarHBondContact O-N 2.91Å; F123-L125 VanDerWaalsContact O-N 3.11Å; F123-H126 PolarHBondContact O-N 2.81Å; F123-Y130 WeakPolarHBondContact CD2-O 3.34Å; F123-Y130 WeakPolarHBondContact O-CA 3.29Å; F123-F132 WeakPolarHBondContact CB-O 3.11Å; F123-K133 HydrophobicContact CD1-CB 4.4Å; F123-K133 WeakPolarHBondContact CD1-O 3.36Å; F123-K133 HydrophobicContact CD2-CG 4.45Å; F123-K133 HydrophobicContact CE1-CB 4.27Å; F123-K133 HydrophobicContact CE1-CG 4.24Å; F123-K133 HydrophobicContact CE2-CG 4.05Å; F123-K133 HydrophobicContact CZ-CB 4.47Å; F123-K133 HydrophobicContact CZ-CG 3.94Å
124Y92.9Very high93.3Very high99 Ų9956.5 Ų56.539%0.38825%0.251SS..G310 helixtrans-68-10.4-177.458.6-100.2000115P122 T180P122-Y124 HydrophobicContact CB-CD1 3.99Å; P122-Y124 HydrophobicContact CB-CE1 3.54Å; P122-Y124 HydrophobicContact CB-CE2 4.46Å; P122-Y124 HydrophobicContact CG-CD1 4.14Å; P122-Y124 HydrophobicContact CG-CD2 4.19Å; P122-Y124 HydrophobicContact CG-CE1 3.55Å; P122-Y124 HydrophobicContact CG-CE2 3.59Å; P122-Y124 HydrophobicContact CG-CG 4.44Å; P122-Y124 WeakPolarHBondContact CG-OH 3.5Å; P122-Y124 PolarHBondContact O-N 3.45Å; Y124-T180 WeakPolarHBondContact OH-CB 3.37Å; Y124-T180 PolarHBondContact OH-OG1 3.04Å; Y124-T180 VanDerWaalsContact OH-OG1 3.04Å
125L95.1Very high93.1Very high5 Ų550.6 Ų50.63%0.02622%0.223CC..G310 helixtrans-105.2-11.2170.4-60.1-175.1000112.7L107 P122 F123 V184 A190L107-L125 HydrophobicContact CD2-CD1 4.22Å; P122-L125 HydrophobicContact CG-CD1 4.13Å; P122-L125 HydrophobicContact CG-CG 4.13Å; P122-L125 PolarHBondContact O-N 2.87Å; F123-L125 PolarHBondContact O-N 2.91Å; F123-L125 VanDerWaalsContact O-N 3.11Å; L125-V184 HydrophobicContact CD1-CB 4.15Å; L125-V184 HydrophobicContact CD1-CG1 3.91Å; L125-V184 HydrophobicContact CD1-CG2 3.96Å; L125-V184 HydrophobicContact CD2-CB 4.28Å; L125-V184 HydrophobicContact CD2-CG1 3.75Å; L125-A190 HydrophobicContact CD2-CB 4.35Å
126H92.9Very high92.9Very high2 Ų246.4 Ų46.41%0.00920%0.203CC..  trans-82.9125.7-173.6-163.7-55000111.5I121 P122 F123 R128 Y129 Y130 Y135I121-H126 HydrophobicContact CD1-CB 4.26Å; I121-H126 HydrophobicContact CG1-CB 4.07Å; P122-H126 PolarHBondContact O-N 2.68Å; F123-H126 PolarHBondContact O-N 2.81Å; H126-R128 PolarHBondContact ND1-N 2.98Å; H126-R128 PolarHBondContact O-N 3.03Å; H126-Y129 AromaticContact CD2-CD2 3.68Å; H126-Y129 AromaticContact CE1-CD2 3.39Å; H126-Y129 WeakPolarHBondContact CE1-CD2 3.44Å; H126-Y129 AromaticContact CE1-CE2 3.76Å; H126-Y129 AromaticContact CG-CD2 3.85Å; H126-Y129 AromaticContact ND1-CD2 3.68Å; H126-Y129 PolarHBondContact ND1-N 3.47Å; H126-Y129 AromaticContact NE2-CD2 3.37Å; H126-Y129 WeakPolarHBondContact NE2-CD2 3.33Å; H126-Y129 AromaticContact NE2-CE2 3.75Å; H126-Y130 PolarHBondContact O-N 3.33Å; H126-Y135 HydrophobicContact CB-CE1 4.46Å; H126-Y135 AromaticContact CD2-CE1 3.41Å; H126-Y135 VanDerWaalsContact CD2-CE1 3.41Å; H126-Y135 WeakPolarHBondContact CD2-CE1 3.48Å; H126-Y135 AromaticContact CD2-CZ 3.32Å; H126-Y135 PolarHBondContact CD2-OH 3.2Å; H126-Y135 AromaticContact NE2-CZ 3.77Å; H126-Y135 PolarHBondContact NE2-OH 3.11Å
127P89.4Confident92.8Very high51 Ų5146.5 Ų46.533%0.33121%0.205SC..THydrogen-bonded Turntrans-67.4-4-17725.4-35.4000115.7H193P127-H193 HydrophobicContact CG-CB 3.58Å
128R88.8Confident92.7Very high64 Ų6446.6 Ų46.624%0.24221%0.205CC..THydrogen-bonded Turntrans-128.6-47.4-175.1-170.4-168.7-173.2102.22111.1H126 Y130 Y131 E197H126-R128 PolarHBondContact ND1-N 2.98Å; H126-R128 PolarHBondContact O-N 3.03Å; R128-Y130 VanDerWaalsContact C-N 3.33Å; R128-Y130 PolarHBondContact O-N 3.05Å; R128-Y131 WeakPolarHBondContact O-CE1 3.16Å; R128-E197 IonicContact CZ-OE1 2.87Å; R128-E197 IonicContact CZ-OE2 3.45Å; R128-E197 IonicContact NH1-OE1 2.66Å; R128-E197 PolarHBondContact NH1-OE1 2.99Å; R128-E197 IonicContact NH1-OE2 3.26Å; R128-E197 PolarHBondContact NH1-OE2 3.17Å; R128-E197 IonicContact NH2-OE1 3.78Å; R128-E197 IonicContact NH2-OE2 3.79Å; R128-E197 PolarHBondContact NH2-OE2 3.13Å
129Y87.8Confident92.7Very high22 Ų2245.3 Ų45.39%0.08620%0.199CC..THydrogen-bonded Turntrans-93.322.8-175.3-56.4-65.3000113.9H126 Y131 F132 Y135 W160 R202H126-Y129 AromaticContact CD2-CD2 3.68Å; H126-Y129 AromaticContact CE1-CD2 3.39Å; H126-Y129 WeakPolarHBondContact CE1-CD2 3.44Å; H126-Y129 AromaticContact CE1-CE2 3.76Å; H126-Y129 AromaticContact CG-CD2 3.85Å; H126-Y129 AromaticContact ND1-CD2 3.68Å; H126-Y129 PolarHBondContact ND1-N 3.47Å; H126-Y129 AromaticContact NE2-CD2 3.37Å; H126-Y129 WeakPolarHBondContact NE2-CD2 3.33Å; H126-Y129 AromaticContact NE2-CE2 3.75Å; Y129-Y131 PolarHBondContact O-N 2.8Å; Y129-F132 PolarHBondContact O-N 2.84Å; Y129-Y135 AromaticContact CD2-CD2 3.79Å; Y129-Y135 HydrophobicContact CD2-CD2 3.79Å; Y129-Y135 AromaticContact CD2-CE2 3.31Å; Y129-Y135 HydrophobicContact CD2-CE2 3.31Å; Y129-Y135 AromaticContact CD2-CZ 3.82Å; Y129-Y135 AromaticContact CE2-CE2 3.86Å; Y129-Y135 HydrophobicContact CE2-CE2 3.86Å; Y129-Y135 AromaticContact CG-CD2 3.85Å; Y129-Y135 HydrophobicContact CG-CD2 3.85Å; Y129-Y135 AromaticContact CG-CE2 3.88Å; Y129-Y135 HydrophobicContact CG-CE2 3.88Å; Y129-W160 HydrophobicContact CE1-CH2 4.34Å; Y129-W160 AromaticContact CE1-CZ2 3.92Å; Y129-W160 HydrophobicContact CE1-CZ2 3.92Å; Y129-W160 AromaticContact CZ-CZ2 3.76Å; Y129-W160 WeakPolarHBondContact OH-CZ2 3.35Å; Y129-R202 PolarHBondContact OH-NE 3.42Å; Y129-R202 VanDerWaalsContact OH-NE 3.08Å
130Y86.7Confident92.8Very high132 Ų13245.5 Ų45.552%0.51820%0.2SC..THydrogen-bonded Turntrans-61.6-12.7-179.167.3-93.5000115.2F123 H126 R128F123-Y130 WeakPolarHBondContact CD2-O 3.34Å; F123-Y130 WeakPolarHBondContact O-CA 3.29Å; H126-Y130 PolarHBondContact O-N 3.33Å; R128-Y130 VanDerWaalsContact C-N 3.33Å; R128-Y130 PolarHBondContact O-N 3.05Å
131Y88.8Confident92.8Very high155 Ų15545.4 Ų45.461%0.60820%0.2SC*.THydrogen-bonded Turntrans-95.9-11.2175.956.7-96.8000113.6R128 Y129R128-Y131 WeakPolarHBondContact O-CE1 3.16Å; Y129-Y131 PolarHBondContact O-N 2.8Å
132F89.5Confident92.9Very high64 Ų6445.4 Ų45.428%0.28120%0.2SC..  trans-104.794.7-175.5-176.2-128.5000110.8F123 Y129 E134 Y135F123-F132 WeakPolarHBondContact CB-O 3.11Å; Y129-F132 PolarHBondContact O-N 2.84Å; F132-E134 HydrophobicContact CE1-CB 4.28Å; F132-E134 HydrophobicContact CE2-CB 4Å; F132-E134 HydrophobicContact CZ-CB 3.8Å; F132-E134 PolarHBondContact O-N 2.87Å; F132-Y135 VanDerWaalsContact O-CB 3.25Å; F132-Y135 WeakPolarHBondContact O-CB 3.43Å; F132-Y135 PolarHBondContact O-N 3.25Å; F132-Y135 VanDerWaalsContact O-N 3.13Å
133K90.7Very high93.1Very high151 Ų15145.9 Ų45.966%0.65720%0.201SC*.THydrogen-bonded Turntrans-61.5-28.1-170.9-68.6-176.6179.3177.60113.9F123 Y135F123-K133 HydrophobicContact CD1-CB 4.4Å; F123-K133 WeakPolarHBondContact CD1-O 3.36Å; F123-K133 HydrophobicContact CD2-CG 4.45Å; F123-K133 HydrophobicContact CE1-CB 4.27Å; F123-K133 HydrophobicContact CE1-CG 4.24Å; F123-K133 HydrophobicContact CE2-CG 4.05Å; F123-K133 HydrophobicContact CZ-CB 4.47Å; F123-K133 HydrophobicContact CZ-CG 3.94Å; K133-Y135 VanDerWaalsContact C-N 3.32Å
134E89.5Confident93.2Very high107 Ų10744.3 Ų44.350%0.519%0.194SC..THydrogen-bonded Turntrans-84.4-4.8-176.8-63.671.3-15600113.5F132 A136 Q168F132-E134 HydrophobicContact CE1-CB 4.28Å; F132-E134 HydrophobicContact CE2-CB 4Å; F132-E134 HydrophobicContact CZ-CB 3.8Å; F132-E134 PolarHBondContact O-N 2.87Å; E134-A136 PolarHBondContact O-N 3.48Å; E134-Q168 PolarHBondContact O-NE2 3.43Å; E134-Q168 VanDerWaalsContact O-NE2 3.1Å
135Y92.1Very high93.5Very high13 Ų1344.2 Ų44.25%0.05120%0.203CC..  trans-47.8128.7-177.4177.8-103.4000113.2H119 I121 H126 Y129 F132 K133 G137 G138H119-Y135 AromaticContact CE1-CD1 3.71Å; H119-Y135 AromaticContact CE1-CE1 3.92Å; H119-Y135 PolarHBondContact CE1-O 3.28Å; H119-Y135 AromaticContact NE2-CE1 3.82Å; I121-Y135 HydrophobicContact CG2-CE1 4.26Å; I121-Y135 WeakPolarHBondContact O-CD1 3.43Å; I121-Y135 WeakPolarHBondContact O-CE1 3.38Å; H126-Y135 HydrophobicContact CB-CE1 4.46Å; H126-Y135 AromaticContact CD2-CE1 3.41Å; H126-Y135 VanDerWaalsContact CD2-CE1 3.41Å; H126-Y135 WeakPolarHBondContact CD2-CE1 3.48Å; H126-Y135 AromaticContact CD2-CZ 3.32Å; H126-Y135 PolarHBondContact CD2-OH 3.2Å; H126-Y135 AromaticContact NE2-CZ 3.77Å; H126-Y135 PolarHBondContact NE2-OH 3.11Å; Y129-Y135 AromaticContact CD2-CD2 3.79Å; Y129-Y135 HydrophobicContact CD2-CD2 3.79Å; Y129-Y135 AromaticContact CD2-CE2 3.31Å; Y129-Y135 HydrophobicContact CD2-CE2 3.31Å; Y129-Y135 AromaticContact CD2-CZ 3.82Å; Y129-Y135 AromaticContact CE2-CE2 3.86Å; Y129-Y135 HydrophobicContact CE2-CE2 3.86Å; Y129-Y135 AromaticContact CG-CD2 3.85Å; Y129-Y135 HydrophobicContact CG-CD2 3.85Å; Y129-Y135 AromaticContact CG-CE2 3.88Å; Y129-Y135 HydrophobicContact CG-CE2 3.88Å; F132-Y135 VanDerWaalsContact O-CB 3.25Å; F132-Y135 WeakPolarHBondContact O-CB 3.43Å; F132-Y135 PolarHBondContact O-N 3.25Å; F132-Y135 VanDerWaalsContact O-N 3.13Å; K133-Y135 VanDerWaalsContact C-N 3.32Å; Y135-G137 WeakPolarHBondContact CE1-O 3.45Å; Y135-G137 VanDerWaalsContact CZ-C 3.41Å; Y135-G137 PolarHBondContact OH-O 2.89Å; Y135-G138 WeakPolarHBondContact OH-CA 3.37Å; Y135-G138 PolarHBondContact OH-N 2.72Å
136A91.7Very high93.6Very high16 Ų1644.1 Ų44.113%0.13220%0.203CC..  trans-132.39.1-178.500000113.8E134 D164 Q168E134-A136 PolarHBondContact O-N 3.48Å; A136-D164 HydrophobicContact CB-CB 4.5Å; A136-Q168 HydrophobicContact CB-CB 4Å; A136-Q168 HydrophobicContact CB-CG 3.95Å
137G94.6Very high93.9Very high3 Ų344.1 Ų44.13%0.03120%0.203CC..  trans-83.7-166.4-177.700000114.5H119 Y135 V139 D164H119-G137 PolarHBondContact NE2-O 3.42Å; Y135-G137 WeakPolarHBondContact CE1-O 3.45Å; Y135-G137 VanDerWaalsContact CZ-C 3.41Å; Y135-G137 PolarHBondContact OH-O 2.89Å; G137-V139 PolarHBondContact O-N 2.84Å; G137-V139 VanDerWaalsContact O-N 3.11Å; G137-D164 VanDerWaalsContact CA-OD2 3.27Å; G137-D164 WeakPolarHBondContact CA-OD2 3.28Å; G137-D164 PolarHBondContact N-OD2 3.09Å
138G97Very high94.3Very high1 Ų146 Ų461%0.0121%0.213CC..SBendtrans81.4-92.6171.100000113R47 D97 Y135R47-G138 PolarHBondContact NH2-O 3.42Å; D97-G138 PolarHBondContact N-O 2.88Å; D97-G138 VanDerWaalsContact N-O 3.09Å; D97-G138 WeakPolarHBondContact OD2-CA 3.33Å; Y135-G138 WeakPolarHBondContact OH-CA 3.37Å; Y135-G138 PolarHBondContact OH-N 2.72Å
139V98.1Very high94.7Very high0 Ų047.5 Ų47.50%023%0.226CC..EExtended strand (participates in β ladder)trans-131.7113.4-174.3-171.10000111.5L95 H96 L100 Y109 H119 L120 I121 G137 F191L95-V139 WeakPolarHBondContact O-CA 3.29Å; H96-V139 WeakPolarHBondContact CE1-CG2 3.41Å; L100-V139 HydrophobicContact CB-CG2 4.3Å; L100-V139 HydrophobicContact CD1-CG2 4.38Å; Y109-V139 HydrophobicContact CE1-CG1 4.19Å; H119-V139 PolarHBondContact CD2-O 2.86Å; L120-V139 HydrophobicContact CB-CB 4.13Å; L120-V139 HydrophobicContact CB-CG1 4.02Å; L120-V139 HydrophobicContact CD1-CG1 3.73Å; L120-V139 HydrophobicContact CG-CG1 4.32Å; L120-V139 PolarHBondContact N-O 2.86Å; I121-V139 HydrophobicContact CG2-CB 4.14Å; I121-V139 HydrophobicContact CG2-CG2 4.28Å; G137-V139 PolarHBondContact O-N 2.84Å; G137-V139 VanDerWaalsContact O-N 3.11Å; V139-F191 HydrophobicContact CG2-CE1 4.16Å
140L98.4Very high95.2Very high10 Ų1047 Ų475%0.05223%0.225CC..EExtended strand (participates in β ladder)trans-127.7130.9177.3-172.385.5000110.6L95 P117 I118 H119 F167 L171 I178L95-L140 HydrophobicContact CD1-CB 4.49Å; L95-L140 HydrophobicContact CD1-CD2 4.06Å; L95-L140 PolarHBondContact N-O 2.87Å; L95-L140 PolarHBondContact O-N 3.44Å; P117-L140 HydrophobicContact CB-CD1 3.96Å; P117-L140 HydrophobicContact CB-CD2 4.21Å; P117-L140 HydrophobicContact CB-CG 4.07Å; P117-L140 HydrophobicContact CG-CD1 4.2Å; I118-L140 CarbonylContact O-C 3.59Å; I118-L140 WeakPolarHBondContact O-CA 3.27Å; H119-L140 HydrophobicContact CB-CD1 3.74Å; L140-F167 HydrophobicContact CD2-CD1 4.06Å; L140-F167 HydrophobicContact CD2-CE1 3.53Å; L140-L171 HydrophobicContact CD2-CD1 4.31Å; L140-I178 HydrophobicContact CD1-CG2 4.41Å
141I98.5Very high95.7Very high0 Ų041.9 Ų41.90%021%0.212CC..EExtended strand (participates in β ladder)trans-106.1127.6175.7-53.7-177.1000109.4Y92 L93 A94 Y109 P112 P117 I118 L120Y92-I141 HydrophobicContact CD2-CG2 3.39Å; Y92-I141 HydrophobicContact CE2-CG2 3.71Å; L93-I141 WeakPolarHBondContact O-CA 3.36Å; A94-I141 HydrophobicContact CB-CG1 4.38Å; Y109-I141 VanDerWaalsContact CA-CD1 3.48Å; Y109-I141 HydrophobicContact CD1-CD1 3.67Å; Y109-I141 HydrophobicContact CD1-CG1 4.46Å; Y109-I141 HydrophobicContact CE1-CD1 4.4Å; Y109-I141 HydrophobicContact CG-CD1 3.85Å; P112-I141 HydrophobicContact CG-CB 4.23Å; P112-I141 HydrophobicContact CG-CG2 3.66Å; P112-I141 WeakPolarHBondContact CG-O 3.47Å; P117-I141 CarbonylContact C-O 3.58Å; P117-I141 WeakPolarHBondContact CA-O 3.34Å; P117-I141 WeakPolarHBondContact CB-O 3.39Å; I118-I141 HydrophobicContact CB-CB 4.31Å; I118-I141 PolarHBondContact N-O 3.2Å; I118-I141 PolarHBondContact O-N 3.1Å; L120-I141 HydrophobicContact CD1-CD1 3.51Å; L120-I141 HydrophobicContact CD1-CG1 3.99Å; L120-I141 HydrophobicContact CD2-CD1 4.41Å; L120-I141 HydrophobicContact CG-CD1 3.95Å; L120-I141 HydrophobicContact CG-CG1 4.23Å
142I98.7Very high96.2Very high0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-143.3142.3-173.4-171.9166.5000111.3Y92 L93 L95 P117 Q146 Y147 F167 L171Y92-I142 CarbonylContact C-O 3.57Å; Y92-I142 WeakPolarHBondContact CA-O 3.45Å; Y92-I142 WeakPolarHBondContact CB-O 3.19Å; L93-I142 HydrophobicContact CB-CG2 4.15Å; L93-I142 PolarHBondContact N-O 3.3Å; L93-I142 PolarHBondContact O-N 2.85Å; L95-I142 HydrophobicContact CD1-CG2 4.42Å; L95-I142 HydrophobicContact CG-CG2 4.37Å; P117-I142 HydrophobicContact CB-CB 3.94Å; P117-I142 HydrophobicContact CB-CD1 4.31Å; P117-I142 HydrophobicContact CB-CG1 4.05Å; I142-Q146 HydrophobicContact CD1-CB 4.04Å; I142-Q146 HydrophobicContact CG1-CB 3.72Å; I142-Y147 HydrophobicContact CD1-CD2 4.23Å; I142-Y147 HydrophobicContact CG2-CD2 3.87Å; I142-Y147 HydrophobicContact CG2-CG 4.48Å; I142-F167 HydrophobicContact CD1-CE1 4.48Å; I142-F167 HydrophobicContact CD1-CZ 4.07Å; I142-L171 HydrophobicContact CD1-CD2 3.77Å
143K98.6Very high96.6Very high15 Ų1531.5 Ų31.57%0.06517%0.17CC..EExtended strand (participates in β ladder)trans-64.2145.8171.3-73179.4169.7153.40110.4P112 E114 T145 Q146 Y147P112-K143 WeakPolarHBondContact O-CE 3.3Å; P112-K143 PolarHBondContact O-NZ 2.94Å; P112-K143 VanDerWaalsContact O-NZ 3.15Å; E114-K143 IonicContact OE1-NZ 3.65Å; E114-K143 PolarHBondContact OE1-NZ 2.95Å; E114-K143 IonicContact OE2-NZ 3.48Å; E114-K143 PolarHBondContact OE2-NZ 3.11Å; K143-T145 PolarHBondContact O-N 3.25Å; K143-Q146 HydrophobicContact CB-CB 4.18Å; K143-Q146 HydrophobicContact CB-CG 3.91Å; K143-Q146 PolarHBondContact O-N 2.81Å; K143-Q146 VanDerWaalsContact O-N 3.1Å; K143-Y147 PolarHBondContact O-N 3.48Å
144R98.1Very high96.8Very high21 Ų2124.3 Ų24.38%0.07914%0.139CC..Hα-helixtrans-55.1-42.9173.9-75-171.4179.4-83.70.7111.3A55 S58 E62 T90 K91 L93 Q146 Y147 T148A55-R144 PolarHBondContact O-NH1 2.82Å; S58-R144 PolarHBondContact OG-NH1 3Å; S58-R144 VanDerWaalsContact OG-NH1 3.13Å; S58-R144 PolarHBondContact OG-NH2 2.86Å; E62-R144 VanDerWaalsContact CD-NH2 3.34Å; E62-R144 IonicContact OE1-CZ 2.86Å; E62-R144 IonicContact OE1-NH2 3.5Å; E62-R144 PolarHBondContact OE1-NH2 3.15Å; E62-R144 IonicContact OE2-CZ 3.95Å; E62-R144 IonicContact OE2-NE 2.78Å; E62-R144 PolarHBondContact OE2-NE 3.3Å; E62-R144 IonicContact OE2-NH2 3.59Å; E62-R144 PolarHBondContact OE2-NH2 3.5Å; T90-R144 WeakPolarHBondContact O-CD 3.4Å; T90-R144 PolarHBondContact O-NE 3.36Å; T90-R144 PolarHBondContact OG1-NE 2.94Å; T90-R144 PolarHBondContact OG1-NH2 3.45Å; T90-R144 VanDerWaalsContact OG1-NH2 3.16Å; K91-R144 PolarHBondContact O-N 3.45Å; L93-R144 HydrophobicContact CD1-CG 4.46Å; L93-R144 HydrophobicContact CD2-CG 3.92Å; L93-R144 HydrophobicContact CG-CG 3.96Å; R144-Q146 PolarHBondContact O-N 3.08Å; R144-Y147 PolarHBondContact O-N 3.42Å; R144-T148 PolarHBondContact O-N 2.79Å; R144-T148 PolarHBondContact O-OG1 3.41Å; R144-T148 VanDerWaalsContact O-OG1 3.12Å
145T98.1Very high97Very high97 Ų9720.2 Ų20.260%0.59512%0.12SC*.Hα-helixtrans-60.3-41.5177.651.90000112.8K143 L149K143-T145 PolarHBondContact O-N 3.25Å; T145-L149 VanDerWaalsContact O-CB 3.29Å; T145-L149 WeakPolarHBondContact O-CB 3.48Å; T145-L149 PolarHBondContact O-N 3.16Å
146Q98.4Very high97Very high3 Ų319.8 Ų19.81%0.01412%0.12CC..Hα-helixtrans-68.2-43.3176.5-66.6170.2-25.200111.1S113 I142 K143 R144 T148 L149 V150 F176S113-Q146 PolarHBondContact O-NE2 2.95Å; I142-Q146 HydrophobicContact CD1-CB 4.04Å; I142-Q146 HydrophobicContact CG1-CB 3.72Å; K143-Q146 HydrophobicContact CB-CB 4.18Å; K143-Q146 HydrophobicContact CB-CG 3.91Å; K143-Q146 PolarHBondContact O-N 2.81Å; K143-Q146 VanDerWaalsContact O-N 3.1Å; R144-Q146 PolarHBondContact O-N 3.08Å; Q146-T148 VanDerWaalsContact C-N 3.34Å; Q146-T148 PolarHBondContact O-N 3.46Å; Q146-L149 PolarHBondContact O-N 3.25Å; Q146-V150 PolarHBondContact O-N 3.3Å; Q146-V150 VanDerWaalsContact O-N 3.1Å; Q146-F176 HydrophobicContact CB-CE1 4.47Å; Q146-F176 HydrophobicContact CB-CE2 4.12Å; Q146-F176 HydrophobicContact CB-CZ 3.91Å; Q146-F176 HydrophobicContact CG-CE1 3.75Å; Q146-F176 HydrophobicContact CG-CE2 4.28Å; Q146-F176 HydrophobicContact CG-CZ 3.6Å
147Y98.6Very high97.1Very high1 Ų119.2 Ų19.20%0.00411%0.114CC..Hα-helixtrans-60-43.8176.6-165.7-94.8000111.8N52 A55 L93 L95 I142 K143 R144 V150 G151 G152 M153 F167 L223N52-Y147 PolarHBondContact N-OH 3.12Å; N52-Y147 WeakPolarHBondContact OD1-CE1 3.48Å; N52-Y147 PolarHBondContact OD1-OH 3.27Å; A55-Y147 HydrophobicContact CB-CD1 3.91Å; A55-Y147 HydrophobicContact CB-CE1 3.6Å; L93-Y147 HydrophobicContact CD1-CD1 4.2Å; L93-Y147 HydrophobicContact CD1-CD2 4.35Å; L93-Y147 HydrophobicContact CD1-CG 3.99Å; L95-Y147 HydrophobicContact CD1-CD2 4.37Å; L95-Y147 HydrophobicContact CD1-CE2 3.86Å; L95-Y147 HydrophobicContact CD2-CE2 4.06Å; I142-Y147 HydrophobicContact CD1-CD2 4.23Å; I142-Y147 HydrophobicContact CG2-CD2 3.87Å; I142-Y147 HydrophobicContact CG2-CG 4.48Å; K143-Y147 PolarHBondContact O-N 3.48Å; R144-Y147 PolarHBondContact O-N 3.42Å; Y147-V150 VanDerWaalsContact O-CG2 3.3Å; Y147-V150 WeakPolarHBondContact O-CG2 3.49Å; Y147-G151 PolarHBondContact O-N 3.1Å; Y147-G152 PolarHBondContact O-N 2.91Å; Y147-M153 HydrophobicContact CE2-CG 4.27Å; Y147-F167 HydrophobicContact CD2-CE2 4.43Å; Y147-F167 AromaticContact CD2-CZ 3.8Å; Y147-F167 HydrophobicContact CD2-CZ 3.8Å; Y147-F167 HydrophobicContact CE2-CE2 4.23Å; Y147-F167 AromaticContact CE2-CZ 3.79Å; Y147-F167 HydrophobicContact CE2-CZ 3.79Å; Y147-L223 HydrophobicContact CD1-CD2 4.11Å; Y147-L223 HydrophobicContact CE1-CD1 4.08Å; Y147-L223 HydrophobicContact CE1-CD2 4.33Å
148T98.1Very high97.1Very high90 Ų9019.5 Ų19.555%0.55211%0.114SC*.Hα-helixtrans-65.5-42.4174-580000111.9R144 Q146 V150 G151R144-T148 PolarHBondContact O-N 2.79Å; R144-T148 PolarHBondContact O-OG1 3.41Å; R144-T148 VanDerWaalsContact O-OG1 3.12Å; Q146-T148 VanDerWaalsContact C-N 3.34Å; Q146-T148 PolarHBondContact O-N 3.46Å; T148-V150 VanDerWaalsContact C-N 3.29Å; T148-V150 PolarHBondContact O-N 2.91Å; T148-G151 PolarHBondContact O-N 2.87Å
149L97.8Very high96.9Very high96 Ų9619.8 Ų19.850%0.50312%0.117SC..Hα-helixtrans-62.1-34.7-178.2-17565.8000113T145 Q146 G151 K174 F176T145-L149 VanDerWaalsContact O-CB 3.29Å; T145-L149 WeakPolarHBondContact O-CB 3.48Å; T145-L149 PolarHBondContact O-N 3.16Å; Q146-L149 PolarHBondContact O-N 3.25Å; L149-G151 VanDerWaalsContact C-N 3.27Å; L149-K174 WeakPolarHBondContact O-CE 3.37Å; L149-F176 HydrophobicContact CD2-CE2 4.03Å; L149-F176 HydrophobicContact CD2-CZ 3.66Å
150V97.7Very high96.7Very high12 Ų1223.7 Ų23.77%0.07313%0.132CC..THydrogen-bonded Turntrans-83.9-1175-55.50000113.4Q146 Y147 T148 F167 R170 L171 K174 F176Q146-V150 PolarHBondContact O-N 3.3Å; Q146-V150 VanDerWaalsContact O-N 3.1Å; Y147-V150 VanDerWaalsContact O-CG2 3.3Å; Y147-V150 WeakPolarHBondContact O-CG2 3.49Å; T148-V150 VanDerWaalsContact C-N 3.29Å; T148-V150 PolarHBondContact O-N 2.91Å; V150-F167 HydrophobicContact CG2-CE2 3.54Å; V150-F167 HydrophobicContact CG2-CZ 4.01Å; V150-R170 HydrophobicContact CB-CB 4.15Å; V150-R170 WeakPolarHBondContact O-CD 3.38Å; V150-L171 HydrophobicContact CG1-CD2 4.01Å; V150-K174 HydrophobicContact CG1-CB 4.11Å; V150-K174 HydrophobicContact CG1-CG 3.89Å; V150-F176 HydrophobicContact CG1-CD2 3.92Å; V150-F176 HydrophobicContact CG1-CE2 3.76Å
151G97.8Very high96.4Very high24 Ų2423.6 Ų23.625%0.24713%0.134CC..THydrogen-bonded Turntrans7227.6-177.500000113.8Y147 T148 L149 R170 G222 L223Y147-G151 PolarHBondContact O-N 3.1Å; T148-G151 PolarHBondContact O-N 2.87Å; L149-G151 VanDerWaalsContact C-N 3.27Å; G151-R170 PolarHBondContact O-NH1 3.1Å; G151-R170 VanDerWaalsContact O-NH1 3.09Å; G151-G222 CarbonylContact O-C 3.54Å; G151-G222 WeakPolarHBondContact O-CA 3.41Å; G151-L223 WeakPolarHBondContact O-CB 2.98Å; G151-L223 PolarHBondContact O-N 3.4Å
152G98.2Very high96.1Very high0 Ų026 Ų260%014%0.143CC..SBendtrans59.5-161.5-17500000113.7N52 Y147 F167 R170N52-G152 WeakPolarHBondContact OD1-CA 3.36Å; Y147-G152 PolarHBondContact O-N 2.91Å; G152-F167 WeakPolarHBondContact O-CE2 3.08Å; G152-R170 WeakPolarHBondContact O-CD 3.42Å; G152-R170 PolarHBondContact O-NH1 2.66Å
153M97.3Very high96Very high2 Ų226.7 Ų26.71%0.0115%0.146CC..SBendtrans-82.6160.2177-60.4-170.176.500111.2L51 N52 L95 Y147 E163 F167 G222L51-M153 HydrophobicContact CB-SD 4.02Å; L51-M153 HydrophobicContact CD1-CE 4.5Å; L51-M153 HydrophobicContact CD1-SD 3.37Å; L51-M153 WeakPolarHBondContact CD1-SD 3.47Å; L51-M153 HydrophobicContact CG-SD 4.33Å; N52-M153 PolarHBondContact ND2-O 3.2Å; N52-M153 PolarHBondContact OD1-N 3.05Å; L95-M153 HydrophobicContact CD1-SD 4.39Å; Y147-M153 HydrophobicContact CE2-CG 4.27Å; M153-E163 HydrophobicContact CE-CB 4.34Å; M153-E163 HydrophobicContact CE-CG 3.77Å; M153-E163 WeakPolarHBondContact CE-O 3.27Å; M153-F167 HydrophobicContact CB-CD2 4.25Å; M153-F167 HydrophobicContact CE-CB 3.81Å; M153-F167 HydrophobicContact CE-CD1 4.33Å; M153-F167 HydrophobicContact CE-CG 4.09Å; M153-F167 HydrophobicContact CG-CB 4.29Å; M153-F167 HydrophobicContact CG-CD1 4.21Å; M153-F167 HydrophobicContact CG-CD2 3.6Å; M153-F167 HydrophobicContact CG-CE1 4.44Å; M153-F167 HydrophobicContact CG-CE2 3.87Å; M153-F167 HydrophobicContact CG-CG 3.79Å; M153-F167 HydrophobicContact CG-CZ 4.29Å; M153-G222 VanDerWaalsContact O-CA 3.27Å; M153-G222 WeakPolarHBondContact O-CA 3.05Å
154S95.2Very high95.9Very high0 Ų027 Ų270%015%0.148CC..  trans-62.6146.2169171.60000112.2S156 F157 E166S154-S156 PolarHBondContact OG-N 3.28Å; S154-S156 VanDerWaalsContact OG-N 3.15Å; S154-F157 VanDerWaalsContact CB-CE2 3.46Å; S154-F157 WeakPolarHBondContact OG-CE2 3.47Å; S154-E166 WeakPolarHBondContact CB-OE2 3.21Å; S154-E166 PolarHBondContact N-OE2 3.21Å
155N94.2Very high95.7Very high20 Ų2026.8 Ų26.811%0.10715%0.149CC..SBendtrans-92.1-2.3175.9-58.6-32.6000112.4N46 N52 W158 G222 S225 I226N46-N155 PolarHBondContact ND2-O 3.38Å; N52-N155 PolarHBondContact ND2-OD1 3.04Å; N155-W158 PolarHBondContact O-NE1 2.94Å; N155-G222 PolarHBondContact ND2-N 3.09Å; N155-G222 PolarHBondContact ND2-O 3.15Å; N155-S225 PolarHBondContact ND2-OG 2.91Å; N155-I226 HydrophobicContact CB-CD1 4.18Å; N155-I226 VanDerWaalsContact ND2-CA 3.33Å; N155-I226 WeakPolarHBondContact ND2-CA 3.21Å; N155-I226 PolarHBondContact ND2-N 3.4Å; N155-I226 WeakPolarHBondContact OD1-CD1 3.41Å
156S92.9Very high95.6Very high5 Ų522.2 Ų22.24%0.03512%0.121CC..  trans-96.7-1.4-165.9-53.30000115.1S154 W158 V220S154-S156 PolarHBondContact OG-N 3.28Å; S154-S156 VanDerWaalsContact OG-N 3.15Å; S156-W158 VanDerWaalsContact O-CD1 3.29Å; S156-W158 PolarHBondContact O-N 3.42Å; S156-V220 WeakPolarHBondContact OG-CB 3.3Å; S156-V220 PolarHBondContact OG-O 3.41Å
157F93.3Very high95.6Very high3 Ų322.5 Ų22.51%0.01312%0.122CC..  trans-93.394.6-178.1-64.9-76.8000111.3N46 S154 R162 E163 E166 V212 L215 I216N46-F157 VanDerWaalsContact CG-O 3.28Å; N46-F157 PolarHBondContact OD1-O 3.27Å; S154-F157 VanDerWaalsContact CB-CE2 3.46Å; S154-F157 WeakPolarHBondContact OG-CE2 3.47Å; F157-R162 HydrophobicContact CD1-CB 3.69Å; F157-R162 HydrophobicContact CE1-CB 3.47Å; F157-R162 VanDerWaalsContact CE1-CB 3.47Å; F157-R162 HydrophobicContact CZ-CB 4.33Å; F157-E163 HydrophobicContact CB-CB 3.62Å; F157-E163 HydrophobicContact CD2-CB 3.64Å; F157-E163 HydrophobicContact CE2-CB 4.48Å; F157-E163 HydrophobicContact CG-CB 3.73Å; F157-E166 HydrophobicContact CE2-CB 3.56Å; F157-E166 HydrophobicContact CE2-CG 3.75Å; F157-E166 HydrophobicContact CZ-CB 3.64Å; F157-E166 HydrophobicContact CZ-CG 3.92Å; F157-V212 HydrophobicContact CD1-CG1 4.23Å; F157-V212 HydrophobicContact CE1-CG1 4.42Å; F157-L215 HydrophobicContact CE1-CB 3.88Å; F157-L215 HydrophobicContact CZ-CB 3.78Å; F157-I216 HydrophobicContact CE1-CG1 4.36Å; F157-I216 HydrophobicContact CZ-CG1 4.38Å
158W93.5Very high95.4Very high9 Ų923.9 Ų23.93%0.03413%0.129CC..  trans-98.3123.7177.9-60.988.6000109.9L43 R44 N46 N155 S156 T206 L250 C252 C257L43-W158 HydrophobicContact CB-CE3 3.93Å; L43-W158 HydrophobicContact CB-CH2 4.39Å; L43-W158 HydrophobicContact CB-CZ3 3.52Å; L43-W158 HydrophobicContact CD1-CE3 4.47Å; L43-W158 HydrophobicContact CD1-CH2 3.56Å; L43-W158 HydrophobicContact CD1-CZ2 4.48Å; L43-W158 HydrophobicContact CD1-CZ3 3.57Å; L43-W158 HydrophobicContact CG-CZ3 4.19Å; R44-W158 HydrophobicContact CB-CB 4.26Å; R44-W158 PolarHBondContact NH1-O 3.35Å; N46-W158 HydrophobicContact CB-CD2 4.11Å; N46-W158 HydrophobicContact CB-CE3 3.71Å; N46-W158 HydrophobicContact CB-CH2 4.23Å; N46-W158 HydrophobicContact CB-CZ3 3.76Å; N46-W158 VanDerWaalsContact ND2-CZ2 3.26Å; N46-W158 WeakPolarHBondContact ND2-CZ2 3.41Å; N155-W158 PolarHBondContact O-NE1 2.94Å; S156-W158 VanDerWaalsContact O-CD1 3.29Å; S156-W158 PolarHBondContact O-N 3.42Å; W158-T206 PolarHBondContact O-OG1 2.79Å; W158-L250 HydrophobicContact CH2-CB 3.81Å; W158-L250 HydrophobicContact CH2-CD1 4.08Å; W158-L250 HydrophobicContact CZ3-CB 4.4Å; W158-L250 HydrophobicContact CZ3-CD1 4.22Å; W158-C252 HydrophobicContact CH2-CB 4.18Å; W158-C252 HydrophobicContact CZ2-CB 3.72Å; W158-C257 VanDerWaalsContact CD2-SG 3.51Å; W158-C257 VanDerWaalsContact CZ2-SG 3.5Å; W158-C257 PolarHBondContact NE1-SG 2.97Å
159G93.5Very high95.3Very high8 Ų822.3 Ų22.38%0.08212%0.116CC..SBendtrans95.2-166.7-171.300000112.7F45F45-G159 PolarHBondContact O-N 3.44Å
160W93.5Very high95.3Very high81 Ų8119.3 Ų19.331%0.30710%0.098SC..SBendtrans-82.7127.8-177.6-178.582000112.4Y129 R202 D203 V204 Y207Y129-W160 HydrophobicContact CE1-CH2 4.34Å; Y129-W160 AromaticContact CE1-CZ2 3.92Å; Y129-W160 HydrophobicContact CE1-CZ2 3.92Å; Y129-W160 AromaticContact CZ-CZ2 3.76Å; Y129-W160 WeakPolarHBondContact OH-CZ2 3.35Å; W160-R202 HydrophobicContact CB-CB 4.08Å; W160-R202 HydrophobicContact CD2-CB 4.33Å; W160-R202 HydrophobicContact CD2-CG 4.34Å; W160-R202 HydrophobicContact CG-CB 3.88Å; W160-R202 HydrophobicContact CG-CG 3.92Å; W160-D203 PolarHBondContact N-O 3.48Å; W160-V204 HydrophobicContact CE3-CG1 3.91Å; W160-Y207 AromaticContact CE3-CD2 3.73Å; W160-Y207 HydrophobicContact CE3-CD2 3.73Å; W160-Y207 HydrophobicContact CE3-CE2 4.1Å; W160-Y207 HydrophobicContact CE3-CG 4.3Å; W160-Y207 HydrophobicContact CH2-CD2 4.48Å; W160-Y207 HydrophobicContact CH2-CE2 4.02Å; W160-Y207 AromaticContact CZ3-CD2 3.46Å; W160-Y207 HydrophobicContact CZ3-CD2 3.46Å; W160-Y207 VanDerWaalsContact CZ3-CD2 3.46Å; W160-Y207 HydrophobicContact CZ3-CE1 4.5Å; W160-Y207 AromaticContact CZ3-CE2 3.39Å; W160-Y207 HydrophobicContact CZ3-CE2 3.39Å; W160-Y207 HydrophobicContact CZ3-CG 4.08Å; W160-Y207 AromaticContact CZ3-CZ 3.94Å
161G92.5Very high95.3Very high9 Ų918.8 Ų18.89%0.09310%0.095CC..SBendtrans98.8162.1160.600000116E163G161-E163 VanDerWaalsContact C-N 3.29Å; G161-E163 VanDerWaalsContact C-OE2 3.24Å; G161-E163 WeakPolarHBondContact CA-OE2 3.31Å; G161-E163 PolarHBondContact O-N 3.09Å
162R93.2Very high95.2Very high50 Ų5023.3 Ų23.319%0.18911%0.108CC..SBendtrans79.2-14.3175.8-51.8-54.1-164.8170.9-0.6116.2F157 D164 D165 E166 Y207 I216F157-R162 HydrophobicContact CD1-CB 3.69Å; F157-R162 HydrophobicContact CE1-CB 3.47Å; F157-R162 VanDerWaalsContact CE1-CB 3.47Å; F157-R162 HydrophobicContact CZ-CB 4.33Å; R162-D164 VanDerWaalsContact C-N 3.31Å; R162-D165 WeakPolarHBondContact CD-OD2 3.21Å; R162-D165 IonicContact CZ-OD2 3.83Å; R162-D165 IonicContact NE-OD2 3.94Å; R162-D165 IonicContact NH1-OD2 2.91Å; R162-D165 PolarHBondContact NH1-OD2 2.81Å; R162-E166 WeakPolarHBondContact O-CB 3.15Å; R162-E166 PolarHBondContact O-N 3.05Å; R162-E166 VanDerWaalsContact O-N 3.09Å; R162-Y207 HydrophobicContact CG-CD2 4.25Å; R162-Y207 HydrophobicContact CG-CE2 4.18Å; R162-Y207 PolarHBondContact NH2-OH 2.71Å; R162-I216 HydrophobicContact CB-CD1 4.17Å; R162-I216 HydrophobicContact CB-CG1 4.11Å; R162-I216 HydrophobicContact CG-CD1 4.09Å
163E95.2Very high95.1Very high14 Ų1430 Ų307%0.06514%0.143CC..Hα-helixtrans-70.6-31.5179.185.5-64.4167.300112.4R47 M153 F157 G161 F167R47-E163 HydrophobicContact CB-CG 4.29Å; R47-E163 VanDerWaalsContact CD-OE1 3.31Å; R47-E163 WeakPolarHBondContact CD-OE1 3.45Å; R47-E163 IonicContact CZ-OE1 3.43Å; R47-E163 IonicContact NE-OE1 2.65Å; R47-E163 IonicContact NH1-OE1 2.61Å; R47-E163 PolarHBondContact NH1-OE1 3.48Å; M153-E163 HydrophobicContact CE-CB 4.34Å; M153-E163 HydrophobicContact CE-CG 3.77Å; M153-E163 WeakPolarHBondContact CE-O 3.27Å; F157-E163 HydrophobicContact CB-CB 3.62Å; F157-E163 HydrophobicContact CD2-CB 3.64Å; F157-E163 HydrophobicContact CE2-CB 4.48Å; F157-E163 HydrophobicContact CG-CB 3.73Å; G161-E163 VanDerWaalsContact C-N 3.29Å; G161-E163 VanDerWaalsContact C-OE2 3.24Å; G161-E163 WeakPolarHBondContact CA-OE2 3.31Å; G161-E163 PolarHBondContact O-N 3.09Å; E163-F167 WeakPolarHBondContact O-CB 3.37Å; E163-F167 PolarHBondContact O-N 2.93Å; E163-F167 VanDerWaalsContact O-N 3.12Å
164D96.5Very high95.1Very high21 Ų2135.6 Ų35.611%0.11217%0.167CC..Hα-helixtrans-75.4-42174.455.1-12.5000112.3A136 G137 R162 E166 F167 Q168A136-D164 HydrophobicContact CB-CB 4.5Å; G137-D164 VanDerWaalsContact CA-OD2 3.27Å; G137-D164 WeakPolarHBondContact CA-OD2 3.28Å; G137-D164 PolarHBondContact N-OD2 3.09Å; R162-D164 VanDerWaalsContact C-N 3.31Å; D164-E166 VanDerWaalsContact C-N 3.34Å; D164-E166 PolarHBondContact O-N 2.91Å; D164-F167 PolarHBondContact O-N 3.21Å; D164-Q168 WeakPolarHBondContact O-CB 3.04Å; D164-Q168 PolarHBondContact O-N 2.92Å
165D94.6Very high95.2Very high18 Ų1838.4 Ų38.410%0.09620%0.197CC..Hα-helixtrans-55-49.4172.6-67.5-24.2000110.9R162 Q168 I169R162-D165 WeakPolarHBondContact CD-OD2 3.21Å; R162-D165 IonicContact CZ-OD2 3.83Å; R162-D165 IonicContact NE-OD2 3.94Å; R162-D165 IonicContact NH1-OD2 2.91Å; R162-D165 PolarHBondContact NH1-OD2 2.81Å; D165-Q168 WeakPolarHBondContact O-CB 3.26Å; D165-Q168 PolarHBondContact O-N 2.92Å; D165-I169 PolarHBondContact O-N 2.99Å
166E95.9Very high95.3Very high1 Ų138.7 Ų38.71%0.00520%0.197CC..Hα-helixtrans-65.4-43.4178.6-171.9-81.5152.700111.9S154 F157 R162 D164 Q168 I169 R170 P219S154-E166 WeakPolarHBondContact CB-OE2 3.21Å; S154-E166 PolarHBondContact N-OE2 3.21Å; F157-E166 HydrophobicContact CE2-CB 3.56Å; F157-E166 HydrophobicContact CE2-CG 3.75Å; F157-E166 HydrophobicContact CZ-CB 3.64Å; F157-E166 HydrophobicContact CZ-CG 3.92Å; R162-E166 WeakPolarHBondContact O-CB 3.15Å; R162-E166 PolarHBondContact O-N 3.05Å; R162-E166 VanDerWaalsContact O-N 3.09Å; D164-E166 VanDerWaalsContact C-N 3.34Å; D164-E166 PolarHBondContact O-N 2.91Å; E166-Q168 VanDerWaalsContact C-N 3.27Å; E166-Q168 PolarHBondContact O-N 3.29Å; E166-I169 WeakPolarHBondContact O-CA 3.49Å; E166-I169 WeakPolarHBondContact O-CB 3.39Å; E166-I169 PolarHBondContact O-N 3.02Å; E166-R170 VanDerWaalsContact CD-NE 3.3Å; E166-R170 PolarHBondContact O-N 3.36Å; E166-R170 VanDerWaalsContact OE1-CG 3.3Å; E166-R170 WeakPolarHBondContact OE1-CG 3.46Å; E166-R170 IonicContact OE1-CZ 3.24Å; E166-R170 IonicContact OE1-NE 3.89Å; E166-R170 PolarHBondContact OE1-NE 3.05Å; E166-R170 IonicContact OE1-NH2 2.72Å; E166-R170 PolarHBondContact OE1-NH2 3.01Å; E166-R170 IonicContact OE2-CZ 2.89Å; E166-R170 IonicContact OE2-NE 2.94Å; E166-R170 PolarHBondContact OE2-NE 3.08Å; E166-R170 VanDerWaalsContact OE2-NE 3.14Å; E166-R170 IonicContact OE2-NH2 3.7Å; E166-P219 HydrophobicContact CG-CB 3.85Å; E166-P219 HydrophobicContact CG-CG 4.43Å; E166-P219 WeakPolarHBondContact OE1-CB 3.34Å; E166-P219 WeakPolarHBondContact OE1-CG 3.32Å
167F97.5Very high95.5Very high8 Ų845.3 Ų45.34%0.03523%0.225CC..Hα-helixtrans-63.6-35.4178.3-170.4-121.8000112.3L95 L140 I142 Y147 V150 G152 M153 E163 D164 I169 R170 L171L95-F167 HydrophobicContact CD1-CE1 4.06Å; L140-F167 HydrophobicContact CD2-CD1 4.06Å; L140-F167 HydrophobicContact CD2-CE1 3.53Å; I142-F167 HydrophobicContact CD1-CE1 4.48Å; I142-F167 HydrophobicContact CD1-CZ 4.07Å; Y147-F167 HydrophobicContact CD2-CE2 4.43Å; Y147-F167 AromaticContact CD2-CZ 3.8Å; Y147-F167 HydrophobicContact CD2-CZ 3.8Å; Y147-F167 HydrophobicContact CE2-CE2 4.23Å; Y147-F167 AromaticContact CE2-CZ 3.79Å; Y147-F167 HydrophobicContact CE2-CZ 3.79Å; V150-F167 HydrophobicContact CG2-CE2 3.54Å; V150-F167 HydrophobicContact CG2-CZ 4.01Å; G152-F167 WeakPolarHBondContact O-CE2 3.08Å; M153-F167 HydrophobicContact CB-CD2 4.25Å; M153-F167 HydrophobicContact CE-CB 3.81Å; M153-F167 HydrophobicContact CE-CD1 4.33Å; M153-F167 HydrophobicContact CE-CG 4.09Å; M153-F167 HydrophobicContact CG-CB 4.29Å; M153-F167 HydrophobicContact CG-CD1 4.21Å; M153-F167 HydrophobicContact CG-CD2 3.6Å; M153-F167 HydrophobicContact CG-CE1 4.44Å; M153-F167 HydrophobicContact CG-CE2 3.87Å; M153-F167 HydrophobicContact CG-CG 3.79Å; M153-F167 HydrophobicContact CG-CZ 4.29Å; E163-F167 WeakPolarHBondContact O-CB 3.37Å; E163-F167 PolarHBondContact O-N 2.93Å; E163-F167 VanDerWaalsContact O-N 3.12Å; D164-F167 PolarHBondContact O-N 3.21Å; F167-I169 VanDerWaalsContact C-N 3.26Å; F167-I169 PolarHBondContact O-N 3.19Å; F167-R170 WeakPolarHBondContact O-CB 3.39Å; F167-R170 PolarHBondContact O-N 3.11Å; F167-L171 HydrophobicContact CD1-CD1 3.95Å; F167-L171 HydrophobicContact CE1-CD1 3.88Å; F167-L171 HydrophobicContact CE1-CG 4.3Å; F167-L171 HydrophobicContact CZ-CD1 4.49Å; F167-L171 HydrophobicContact CZ-CD2 4.39Å; F167-L171 HydrophobicContact CZ-CG 4.44Å; F167-L171 WeakPolarHBondContact O-CG 3.47Å; F167-L171 PolarHBondContact O-N 3.37Å
168Q95.9Very high95.7Very high30 Ų3047.2 Ų47.214%0.1424%0.235CC..Hα-helixtrans-58.6-39.3172.5-155.7-160.555.400111.7E134 A136 D164 D165 E166 L171 K172 I178E134-Q168 PolarHBondContact O-NE2 3.43Å; E134-Q168 VanDerWaalsContact O-NE2 3.1Å; A136-Q168 HydrophobicContact CB-CB 4Å; A136-Q168 HydrophobicContact CB-CG 3.95Å; D164-Q168 WeakPolarHBondContact O-CB 3.04Å; D164-Q168 PolarHBondContact O-N 2.92Å; D165-Q168 WeakPolarHBondContact O-CB 3.26Å; D165-Q168 PolarHBondContact O-N 2.92Å; E166-Q168 VanDerWaalsContact C-N 3.27Å; E166-Q168 PolarHBondContact O-N 3.29Å; Q168-L171 PolarHBondContact O-N 2.89Å; Q168-K172 VanDerWaalsContact CD-NZ 3.33Å; Q168-K172 WeakPolarHBondContact O-CG 3.47Å; Q168-K172 PolarHBondContact O-N 2.65Å; Q168-I178 HydrophobicContact CB-CD1 4.4Å; Q168-I178 HydrophobicContact CG-CD1 3.33Å
169I95.7Very high95.8Very high58 Ų5849.5 Ų49.530%0.29725%0.25SC..Hα-helixtrans-66.3-45.4175.8-65.8168.2000110.3D165 E166 F167 L171 K172 L173 I216D165-I169 PolarHBondContact O-N 2.99Å; E166-I169 WeakPolarHBondContact O-CA 3.49Å; E166-I169 WeakPolarHBondContact O-CB 3.39Å; E166-I169 PolarHBondContact O-N 3.02Å; F167-I169 VanDerWaalsContact C-N 3.26Å; F167-I169 PolarHBondContact O-N 3.19Å; I169-L171 VanDerWaalsContact C-N 3.28Å; I169-L171 PolarHBondContact O-N 2.91Å; I169-K172 PolarHBondContact O-N 3.49Å; I169-L173 HydrophobicContact CG2-CD1 3.74Å; I169-L173 HydrophobicContact CG2-CG 4.06Å; I169-L173 WeakPolarHBondContact O-CB 3.41Å; I169-L173 VanDerWaalsContact O-CG 3.32Å; I169-L173 WeakPolarHBondContact O-CG 3.33Å; I169-L173 PolarHBondContact O-N 3.45Å; I169-I216 HydrophobicContact CD1-CG2 3.5Å; I169-I216 VanDerWaalsContact CD1-CG2 3.5Å
170R96.9Very high95.8Very high32 Ų3251.5 Ų51.512%0.12126%0.26CS..Hα-helixtrans-55.5-44.3176.3-62.4-168.9-177.3-148.6-12.9112.3V150 G151 G152 E166 F167 L173 K174 G221V150-R170 HydrophobicContact CB-CB 4.15Å; V150-R170 WeakPolarHBondContact O-CD 3.38Å; G151-R170 PolarHBondContact O-NH1 3.1Å; G151-R170 VanDerWaalsContact O-NH1 3.09Å; G152-R170 WeakPolarHBondContact O-CD 3.42Å; G152-R170 PolarHBondContact O-NH1 2.66Å; E166-R170 VanDerWaalsContact CD-NE 3.3Å; E166-R170 PolarHBondContact O-N 3.36Å; E166-R170 VanDerWaalsContact OE1-CG 3.3Å; E166-R170 WeakPolarHBondContact OE1-CG 3.46Å; E166-R170 IonicContact OE1-CZ 3.24Å; E166-R170 IonicContact OE1-NE 3.89Å; E166-R170 PolarHBondContact OE1-NE 3.05Å; E166-R170 IonicContact OE1-NH2 2.72Å; E166-R170 PolarHBondContact OE1-NH2 3.01Å; E166-R170 IonicContact OE2-CZ 2.89Å; E166-R170 IonicContact OE2-NE 2.94Å; E166-R170 PolarHBondContact OE2-NE 3.08Å; E166-R170 VanDerWaalsContact OE2-NE 3.14Å; E166-R170 IonicContact OE2-NH2 3.7Å; F167-R170 WeakPolarHBondContact O-CB 3.39Å; F167-R170 PolarHBondContact O-N 3.11Å; R170-L173 PolarHBondContact O-N 3.2Å; R170-K174 PolarHBondContact O-N 2.94Å; R170-G221 PolarHBondContact NH1-O 2.95Å; R170-G221 PolarHBondContact NH2-O 3.24Å
171L97.4Very high95.9Very high2 Ų248.5 Ų48.51%0.0125%0.252CS..Hα-helixtrans-61.1-49.9177.5-70.1165.9000111.5P117 L140 I142 V150 F167 Q168 I169 L173 K174 G175 F176 I178P117-L171 HydrophobicContact CG-CD1 3.83Å; P117-L171 HydrophobicContact CG-CD2 3.89Å; P117-L171 HydrophobicContact CG-CG 4.45Å; L140-L171 HydrophobicContact CD2-CD1 4.31Å; I142-L171 HydrophobicContact CD1-CD2 3.77Å; V150-L171 HydrophobicContact CG1-CD2 4.01Å; F167-L171 HydrophobicContact CD1-CD1 3.95Å; F167-L171 HydrophobicContact CE1-CD1 3.88Å; F167-L171 HydrophobicContact CE1-CG 4.3Å; F167-L171 HydrophobicContact CZ-CD1 4.49Å; F167-L171 HydrophobicContact CZ-CD2 4.39Å; F167-L171 HydrophobicContact CZ-CG 4.44Å; F167-L171 WeakPolarHBondContact O-CG 3.47Å; F167-L171 PolarHBondContact O-N 3.37Å; Q168-L171 PolarHBondContact O-N 2.89Å; I169-L171 VanDerWaalsContact C-N 3.28Å; I169-L171 PolarHBondContact O-N 2.91Å; L171-L173 PolarHBondContact O-N 3.05Å; L171-K174 PolarHBondContact O-N 3.44Å; L171-G175 PolarHBondContact O-N 3.06Å; L171-F176 HydrophobicContact CB-CB 4.44Å; L171-F176 HydrophobicContact CD2-CD2 4.07Å; L171-F176 WeakPolarHBondContact O-CB 3.38Å; L171-F176 PolarHBondContact O-N 2.94Å; L171-I178 HydrophobicContact CB-CD1 4.48Å; L171-I178 HydrophobicContact CD1-CD1 3.94Å; L171-I178 HydrophobicContact CD1-CG1 4.18Å
172K96Very high95.7Very high118 Ų11854.4 Ų54.451%0.51328%0.28SS..Hα-helixtrans-62.1-41.3179.3-73.5170.7176.5171.40112.2Q168 I169 K174 G175Q168-K172 VanDerWaalsContact CD-NZ 3.33Å; Q168-K172 WeakPolarHBondContact O-CG 3.47Å; Q168-K172 PolarHBondContact O-N 2.65Å; I169-K172 PolarHBondContact O-N 3.49Å; K172-K174 PolarHBondContact O-N 3.27Å; K172-G175 WeakPolarHBondContact O-CA 3.32Å; K172-G175 PolarHBondContact O-N 3.4Å
173L96Very high95.7Very high142 Ų14258.5 Ų58.574%0.74331%0.305SS*.Hα-helixtrans-64.3-26.5178.1-72.9175.3000113.2I169 R170 L171 G175I169-L173 HydrophobicContact CG2-CD1 3.74Å; I169-L173 HydrophobicContact CG2-CG 4.06Å; I169-L173 WeakPolarHBondContact O-CB 3.41Å; I169-L173 VanDerWaalsContact O-CG 3.32Å; I169-L173 WeakPolarHBondContact O-CG 3.33Å; I169-L173 PolarHBondContact O-N 3.45Å; R170-L173 PolarHBondContact O-N 3.2Å; L171-L173 PolarHBondContact O-N 3.05Å; L173-G175 VanDerWaalsContact C-N 3.3Å
174K96.8Very high95.7Very high118 Ų11859.3 Ų59.351%0.51331%0.311SS..THydrogen-bonded Turntrans-89.39.1171.6-66.9-60.9-1721770113.6L149 V150 R170 L171 K172 F176L149-K174 WeakPolarHBondContact O-CE 3.37Å; V150-K174 HydrophobicContact CG1-CB 4.11Å; V150-K174 HydrophobicContact CG1-CG 3.89Å; R170-K174 PolarHBondContact O-N 2.94Å; L171-K174 PolarHBondContact O-N 3.44Å; K172-K174 PolarHBondContact O-N 3.27Å; K174-F176 VanDerWaalsContact C-N 3.3Å; K174-F176 HydrophobicContact CB-CD2 3.89Å; K174-F176 HydrophobicContact CB-CE2 3.88Å; K174-F176 PolarHBondContact O-N 3.32Å
175G97.4Very high95.5Very high60 Ų6064.1 Ų64.162%0.61934%0.341SS*.THydrogen-bonded Turntrans78.49.2176.200000114.7L171 K172 L173L171-G175 PolarHBondContact O-N 3.06Å; K172-G175 WeakPolarHBondContact O-CA 3.32Å; K172-G175 PolarHBondContact O-N 3.4Å; L173-G175 VanDerWaalsContact C-N 3.3Å
176F98Very high95.6Very high26 Ų2667 Ų6711%0.11436%0.355CS..  trans-74.9136178.9-65.6-54.8000111.7L115 Q146 L149 V150 L171 K174L115-F176 CarbonylContact O-C 3.54Å; L115-F176 WeakPolarHBondContact O-CA 3.32Å; Q146-F176 HydrophobicContact CB-CE1 4.47Å; Q146-F176 HydrophobicContact CB-CE2 4.12Å; Q146-F176 HydrophobicContact CB-CZ 3.91Å; Q146-F176 HydrophobicContact CG-CE1 3.75Å; Q146-F176 HydrophobicContact CG-CE2 4.28Å; Q146-F176 HydrophobicContact CG-CZ 3.6Å; L149-F176 HydrophobicContact CD2-CE2 4.03Å; L149-F176 HydrophobicContact CD2-CZ 3.66Å; V150-F176 HydrophobicContact CG1-CD2 3.92Å; V150-F176 HydrophobicContact CG1-CE2 3.76Å; L171-F176 HydrophobicContact CB-CB 4.44Å; L171-F176 HydrophobicContact CD2-CD2 4.07Å; L171-F176 WeakPolarHBondContact O-CB 3.38Å; L171-F176 PolarHBondContact O-N 2.94Å; K174-F176 VanDerWaalsContact C-N 3.3Å; K174-F176 HydrophobicContact CB-CD2 3.89Å; K174-F176 HydrophobicContact CB-CE2 3.88Å; K174-F176 PolarHBondContact O-N 3.32Å
177K96.6Very high95.4Very high143 Ų14368.4 Ų68.462%0.62237%0.369SS*.  trans-91.7120.6169.4-64.6-175.7-179.5-179.20109L115 G116 V179L115-K177 PolarHBondContact O-N 3.07Å; G116-K177 WeakPolarHBondContact CA-O 3.5Å; K177-V179 PolarHBondContact O-N 3.19Å
178I96.3Very high95.3Very high44 Ų4472.1 Ų72.123%0.22639%0.389CS..  trans-77.2110.2173.7-57.2175.2000107.5P117 H119 L140 Q168 L171P117-I178 HydrophobicContact CG-CG1 4.14Å; H119-I178 HydrophobicContact CB-CG2 3.54Å; L140-I178 HydrophobicContact CD1-CG2 4.41Å; Q168-I178 HydrophobicContact CB-CD1 4.4Å; Q168-I178 HydrophobicContact CG-CD1 3.33Å; L171-I178 HydrophobicContact CB-CD1 4.48Å; L171-I178 HydrophobicContact CD1-CD1 3.94Å; L171-I178 HydrophobicContact CD1-CG1 4.18Å
179V95.7Very high95.2Very high57 Ų5778.3 Ų78.335%0.34542%0.416SS..BIsolated β-bridgetrans-85.6142.3179.8-178.90000108.9P117 I118 H119 K177P117-V179 PolarHBondContact O-N 2.84Å; I118-V179 CarbonylContact C-O 3.6Å; I118-V179 VanDerWaalsContact CA-O 3.31Å; I118-V179 WeakPolarHBondContact CA-O 3.41Å; H119-V179 PolarHBondContact N-O 3.47Å; K177-V179 PolarHBondContact O-N 3.19Å
180T95.3Very high95.3Very high49 Ų4975.5 Ų75.530%0.30140%0.401SS..  trans-116.7154.1174.656.10000110H119 P122 Y124H119-T180 HydrophobicContact CB-CG2 4.45Å; P122-T180 HydrophobicContact CB-CG2 3.73Å; P122-T180 HydrophobicContact CG-CG2 4Å; Y124-T180 WeakPolarHBondContact OH-CB 3.37Å; Y124-T180 PolarHBondContact OH-OG1 3.04Å; Y124-T180 VanDerWaalsContact OH-OG1 3.04Å
181P94.3Very high95.3Very high19 Ų1974.2 Ų74.212%0.12340%0.397CS..  trans-54.3139177.6-29.435.1000112.8L107 H119 L120 V184L107-P181 HydrophobicContact CD2-CB 4.15Å; L107-P181 HydrophobicContact CD2-CG 3.81Å; H119-P181 WeakPolarHBondContact O-CD 3.42Å; L120-P181 HydrophobicContact CD2-CG 3.91Å; L120-P181 WeakPolarHBondContact O-CG 3.21Å; P181-V184 HydrophobicContact CB-CG2 3.53Å
182I89.6Confident95.2Very high133 Ų13378.8 Ų78.868%0.68241%0.414SS*.SBendtrans-103.4153.9168.260.3173.1000109V184I182-V184 VanDerWaalsContact C-N 3.28Å; I182-V184 PolarHBondContact O-N 2.79Å
183N92.2Very high95.1Very high135 Ų13575.3 Ų75.372%0.72240%0.399SS*.SBendtrans6521175.4-48.8-33.5000115.8A106 T185A106-N183 WeakPolarHBondContact CB-O 3.45Å; N183-T185 PolarHBondContact O-N 3.22Å
184V94.4Very high95Very high31 Ų3169.7 Ų69.719%0.18837%0.37CS..  trans-68.7127.6168.2178.50000108.6D104 A106 L107 L125 P181 I182 A190D104-V184 HydrophobicContact CB-CG1 4.16Å; D104-V184 WeakPolarHBondContact OD2-CG1 3.46Å; A106-V184 HydrophobicContact CB-CG2 4.27Å; L107-V184 HydrophobicContact CD2-CG2 3.82Å; L107-V184 HydrophobicContact CG-CG2 4.42Å; L125-V184 HydrophobicContact CD1-CB 4.15Å; L125-V184 HydrophobicContact CD1-CG1 3.91Å; L125-V184 HydrophobicContact CD1-CG2 3.96Å; L125-V184 HydrophobicContact CD2-CB 4.28Å; L125-V184 HydrophobicContact CD2-CG1 3.75Å; P181-V184 HydrophobicContact CB-CG2 3.53Å; I182-V184 VanDerWaalsContact C-N 3.28Å; I182-V184 PolarHBondContact O-N 2.79Å; V184-A190 HydrophobicContact CG1-CB 3.47Å; V184-A190 VanDerWaalsContact CG1-CB 3.47Å
185T93.3Very high94.5Very high122 Ų12265.7 Ų65.775%0.74835%0.353SS*.  trans-107.8-24.7-171.559.60000112.9D104 N183 G187D104-T185 PolarHBondContact OD2-N 3.09Å; D104-T185 PolarHBondContact OD2-OG1 3.49Å; N183-T185 PolarHBondContact O-N 3.22Å; T185-G187 VanDerWaalsContact C-N 3.27Å; T185-G187 PolarHBondContact O-N 3.22Å
186M95.8Very high93.8Very high80 Ų8067.3 Ų67.339%0.39434%0.344SS..SBendtrans-79.4-4.6-176.2-65.7-179.767.300114.2E103 D104 L188 K189 A190E103-M186 HydrophobicContact CB-CE 4Å; E103-M186 HydrophobicContact CB-SD 4.39Å; D104-M186 VanDerWaalsContact CA-SD 3.53Å; D104-M186 HydrophobicContact CB-CB 4.11Å; D104-M186 HydrophobicContact CB-CG 3.99Å; D104-M186 HydrophobicContact CB-SD 3.69Å; D104-M186 WeakPolarHBondContact OD2-CG 3.47Å; D104-M186 PolarHBondContact OD2-N 3.46Å; M186-L188 PolarHBondContact O-N 3.04Å; M186-K189 HydrophobicContact CB-CB 4.25Å; M186-K189 HydrophobicContact CE-CB 4.16Å; M186-K189 WeakPolarHBondContact CE-O 3.33Å; M186-K189 WeakPolarHBondContact O-CB 3.27Å; M186-K189 PolarHBondContact O-N 3.31Å; M186-A190 HydrophobicContact CB-CB 4.2Å
187G93.5Very high93Very high29 Ų2971 Ų7130%0.29936%0.362SS..G310 helixtrans54.6-128-179.300000112.1T185 K189 A190T185-G187 VanDerWaalsContact C-N 3.27Å; T185-G187 PolarHBondContact O-N 3.22Å; G187-K189 PolarHBondContact O-N 3.2Å; G187-K189 VanDerWaalsContact O-N 3.11Å; G187-A190 WeakPolarHBondContact O-CB 3.37Å; G187-A190 PolarHBondContact O-N 3Å
188L93.6Very high92.1Very high87 Ų8770.9 Ų70.946%0.45537%0.368SS..G310 helixtrans-64.6-12.4178-62.4178.8000114.4M186M186-L188 PolarHBondContact O-N 3.04Å
189K95.1Very high91.3Very high159 Ų15975.3 Ų75.369%0.69139%0.388SS*.G310 helixtrans-89.7-0.6173-61.9-178.4179.3179.50112.8E103 M186 G187 F191E103-K189 WeakPolarHBondContact CB-O 3.41Å; M186-K189 HydrophobicContact CB-CB 4.25Å; M186-K189 HydrophobicContact CE-CB 4.16Å; M186-K189 WeakPolarHBondContact CE-O 3.33Å; M186-K189 WeakPolarHBondContact O-CB 3.27Å; M186-K189 PolarHBondContact O-N 3.31Å; G187-K189 PolarHBondContact O-N 3.2Å; G187-K189 VanDerWaalsContact O-N 3.11Å; K189-F191 PolarHBondContact O-N 3.38Å
190A96.5Very high90.7Very high0 Ų074 Ų740%038%0.377CS..SBendtrans-64.7-22.9178.600000112.7E103 D104 L107 L125 V184 M186 G187E103-A190 PolarHBondContact N-O 2.81Å; D104-A190 HydrophobicContact CB-CB 3.87Å; D104-A190 PolarHBondContact N-O 2.9Å; L107-A190 HydrophobicContact CD1-CB 4.31Å; L107-A190 WeakPolarHBondContact CD1-O 3.43Å; L125-A190 HydrophobicContact CD2-CB 4.35Å; V184-A190 HydrophobicContact CG1-CB 3.47Å; V184-A190 VanDerWaalsContact CG1-CB 3.47Å; M186-A190 HydrophobicContact CB-CB 4.2Å; G187-A190 WeakPolarHBondContact O-CB 3.37Å; G187-A190 PolarHBondContact O-N 3Å
191F96.8Very high90.4Very high4 Ų479.4 Ų79.42%0.01840%0.397CS..EExtended strand (participates in β ladder)trans-127.2135.2169.7-77.6-93.4000111L100 L101 P102 L107 L120 I121 V139 K189L100-F191 HydrophobicContact CB-CD1 4.42Å; L101-F191 CarbonylContact O-C 3.53Å; L101-F191 VanDerWaalsContact O-CA 3.27Å; L101-F191 WeakPolarHBondContact O-CA 3.36Å; P102-F191 HydrophobicContact CB-CD1 4.34Å; P102-F191 HydrophobicContact CB-CE1 3.86Å; P102-F191 HydrophobicContact CB-CZ 4.3Å; L107-F191 HydrophobicContact CD1-CD2 3.85Å; L107-F191 HydrophobicContact CD1-CE1 4.25Å; L107-F191 HydrophobicContact CD1-CE2 3.3Å; L107-F191 HydrophobicContact CD1-CZ 3.54Å; L107-F191 HydrophobicContact CD2-CE2 3.63Å; L107-F191 HydrophobicContact CD2-CZ 4.1Å; L107-F191 HydrophobicContact CG-CE2 4.09Å; L107-F191 HydrophobicContact CG-CZ 4.36Å; L120-F191 HydrophobicContact CB-CZ 4.03Å; L120-F191 VanDerWaalsContact O-CE2 3.26Å; L120-F191 WeakPolarHBondContact O-CE2 3.46Å; I121-F191 HydrophobicContact CB-CD2 3.89Å; I121-F191 HydrophobicContact CB-CE1 4.38Å; I121-F191 HydrophobicContact CB-CE2 3.62Å; I121-F191 HydrophobicContact CB-CG 4.37Å; I121-F191 HydrophobicContact CB-CZ 3.89Å; I121-F191 HydrophobicContact CD1-CB 3.69Å; I121-F191 HydrophobicContact CD1-CD1 3.95Å; I121-F191 HydrophobicContact CD1-CD2 3.7Å; I121-F191 HydrophobicContact CD1-CE2 4.3Å; I121-F191 HydrophobicContact CD1-CG 3.5Å; I121-F191 VanDerWaalsContact CD1-CG 3.5Å; I121-F191 HydrophobicContact CG1-CB 4.45Å; I121-F191 HydrophobicContact CG1-CD2 3.58Å; I121-F191 HydrophobicContact CG1-CE2 3.87Å; I121-F191 HydrophobicContact CG1-CG 3.95Å; I121-F191 HydrophobicContact CG1-CZ 4.47Å; V139-F191 HydrophobicContact CG2-CE1 4.16Å; K189-F191 PolarHBondContact O-N 3.38Å
192R95.6Very high90.2Very high98 Ų9880.9 Ų80.937%0.3740%0.4SS..EExtended strand (participates in β ladder)trans-92.6123167.2179.7163.555.9113.7-1108.9E16 L101 E103 I194E16-R192 IonicContact OE2-NH1 3.75Å; E16-R192 PolarHBondContact OE2-NH1 2.75Å; L101-R192 HydrophobicContact CB-CB 4.33Å; L101-R192 PolarHBondContact N-O 2.8Å; L101-R192 PolarHBondContact O-N 2.91Å; E103-R192 HydrophobicContact CG-CB 3.86Å; E103-R192 VanDerWaalsContact OE1-CB 3.3Å; E103-R192 WeakPolarHBondContact OE1-CB 3.47Å; E103-R192 IonicContact OE1-CZ 2.82Å; E103-R192 IonicContact OE1-NE 3.93Å; E103-R192 PolarHBondContact OE1-NE 3.06Å; E103-R192 IonicContact OE1-NH2 3.54Å; R192-I194 HydrophobicContact CG-CG2 4.04Å
193H94.8Very high90.4Very high45 Ų4576.5 Ų76.521%0.20838%0.378CS..EExtended strand (participates in β ladder)trans-102100.4178.5-171.6-159.5000109.9D99 L100 P127 H195D99-H193 CarbonylContact O-C 3.59Å; D99-H193 WeakPolarHBondContact O-CA 3.14Å; D99-H193 PolarHBondContact O-CD2 3.27Å; D99-H193 IonicContact OD1-CD2 3.05Å; D99-H193 IonicContact OD1-NE2 2.91Å; D99-H193 IonicContact OD2-CD2 3.3Å; D99-H193 IonicContact OD2-NE2 3.4Å; D99-H193 PolarHBondContact OD2-NE2 3.35Å; L100-H193 HydrophobicContact CD2-CB 3.95Å; P127-H193 HydrophobicContact CG-CB 3.58Å; H193-H195 VanDerWaalsContact C-N 3.27Å; H193-H195 AromaticContact CE1-CG 3.95Å; H193-H195 VanDerWaalsContact NE2-CB 3.28Å; H193-H195 WeakPolarHBondContact NE2-CB 3.4Å; H193-H195 AromaticContact NE2-CG 3.8Å; H193-H195 AromaticContact NE2-ND1 3.94Å; H193-H195 PolarHBondContact O-N 3.05Å; H193-H195 VanDerWaalsContact O-N 3.13Å
194I93.2Very high90.4Very high25 Ų2573.4 Ų73.413%0.12836%0.364CS..  trans-88.160.7-177.654.5165.5000111.3E13 E16 D99 L101 R192E13-I194 HydrophobicContact CB-CD1 3.89Å; E13-I194 HydrophobicContact CG-CD1 3.97Å; E13-I194 HydrophobicContact CG-CG1 4.18Å; E13-I194 WeakPolarHBondContact CG-O 3.33Å; E16-I194 HydrophobicContact CB-CD1 3.85Å; E16-I194 HydrophobicContact CG-CD1 4.48Å; D99-I194 HydrophobicContact CB-CG1 4.12Å; D99-I194 WeakPolarHBondContact O-CG1 3.27Å; D99-I194 PolarHBondContact O-N 2.8Å; L101-I194 HydrophobicContact CD1-CD1 4.01Å; L101-I194 HydrophobicContact CD1-CG1 4.37Å; L101-I194 HydrophobicContact CD1-CG2 4.22Å; L101-I194 HydrophobicContact CG-CD1 4.37Å; L101-I194 HydrophobicContact CG-CG1 4.46Å; R192-I194 HydrophobicContact CG-CG2 4.04Å
195H87.2Confident90.1Very high33 Ų3378.9 Ų78.915%0.15339%0.385CS..  trans-113.5109.6-174.5-172.897.7000111.9D99 H193 E197 H200 R202D99-H195 IonicContact OD2-CE1 3.44Å; D99-H195 IonicContact OD2-CG 3.79Å; D99-H195 IonicContact OD2-ND1 2.89Å; D99-H195 PolarHBondContact OD2-ND1 3.44Å; H193-H195 VanDerWaalsContact C-N 3.27Å; H193-H195 AromaticContact CE1-CG 3.95Å; H193-H195 VanDerWaalsContact NE2-CB 3.28Å; H193-H195 WeakPolarHBondContact NE2-CB 3.4Å; H193-H195 AromaticContact NE2-CG 3.8Å; H193-H195 AromaticContact NE2-ND1 3.94Å; H193-H195 PolarHBondContact O-N 3.05Å; H193-H195 VanDerWaalsContact O-N 3.13Å; H195-E197 PolarHBondContact O-N 2.86Å; H195-H200 PolarHBondContact CE1-O 3.1Å; H195-H200 PolarHBondContact NE2-O 2.91Å; H195-R202 PolarHBondContact NE2-NH1 3.25Å
196Q82.7Confident90Very high95 Ų9573.7 Ų73.744%0.44435%0.353SS..  trans-83.794.7175.9-58-173.622.500110.1D198 H199 H200Q196-D198 PolarHBondContact O-N 3.39Å; Q196-D198 VanDerWaalsContact O-N 3.16Å; Q196-H199 HydrophobicContact CB-CB 4.15Å; Q196-H199 PolarHBondContact O-N 3.31Å; Q196-H199 VanDerWaalsContact O-N 3.08Å; Q196-H199 PolarHBondContact OE1-CE1 3.01Å; Q196-H199 PolarHBondContact OE1-ND1 3.12Å; Q196-H200 WeakPolarHBondContact O-CB 3.22Å; Q196-H200 PolarHBondContact O-N 3.47Å
197E81.1Confident89.7Confident104 Ų10471.8 Ų71.849%0.48634%0.342SS..THydrogen-bonded Turntrans-55.3-36.2-174.5-72.3-165.1-142.100113.8R128 H195 H199 K201R128-E197 IonicContact CZ-OE1 2.87Å; R128-E197 IonicContact CZ-OE2 3.45Å; R128-E197 IonicContact NH1-OE1 2.66Å; R128-E197 PolarHBondContact NH1-OE1 2.99Å; R128-E197 IonicContact NH1-OE2 3.26Å; R128-E197 PolarHBondContact NH1-OE2 3.17Å; R128-E197 IonicContact NH2-OE1 3.78Å; R128-E197 IonicContact NH2-OE2 3.79Å; R128-E197 PolarHBondContact NH2-OE2 3.13Å; H195-E197 PolarHBondContact O-N 2.86Å; E197-H199 PolarHBondContact O-N 3.47Å; E197-K201 VanDerWaalsContact O-CG 3.26Å; E197-K201 WeakPolarHBondContact O-CG 3.42Å; E197-K201 PolarHBondContact O-N 2.9Å
198D77.4Confident89.6Confident140 Ų14079.4 Ų79.475%0.74936%0.363SS*.THydrogen-bonded Turntrans-67.7-35.6-179.4-66.1-36000112.6Q196Q196-D198 PolarHBondContact O-N 3.39Å; Q196-D198 VanDerWaalsContact O-N 3.16Å
199H78.9Confident89.5Confident137 Ų13777.5 Ų77.563%0.63435%0.353SS*.THydrogen-bonded Turntrans-90-26.2179-61.9105.3000112.7Q196 E197Q196-H199 HydrophobicContact CB-CB 4.15Å; Q196-H199 PolarHBondContact O-N 3.31Å; Q196-H199 VanDerWaalsContact O-N 3.08Å; Q196-H199 PolarHBondContact OE1-CE1 3.01Å; Q196-H199 PolarHBondContact OE1-ND1 3.12Å; E197-H199 PolarHBondContact O-N 3.47Å
200H84.1Confident89.3Confident28 Ų2874.7 Ų74.713%0.1335%0.351CS..SBendtrans-126.146.7-168.9-62.7-42.7000112.6D9 R10 E13 H195 Q196 R202D9-H200 PolarHBondContact O-CE1 2.84Å; R10-H200 VanDerWaalsContact CZ-CG 3.49Å; R10-H200 VanDerWaalsContact CZ-ND1 3.3Å; R10-H200 PolarHBondContact NE-ND1 2.87Å; R10-H200 PolarHBondContact NH1-ND1 3.06Å; R10-H200 VanDerWaalsContact NH1-ND1 3.15Å; E13-H200 IonicContact OE1-CD2 3.2Å; E13-H200 PolarHBondContact OE1-CD2 2.92Å; E13-H200 IonicContact OE1-CE1 2.65Å; E13-H200 IonicContact OE1-CG 3.41Å; E13-H200 IonicContact OE1-NE2 3.5Å; E13-H200 PolarHBondContact OE1-NE2 3.38Å; E13-H200 IonicContact OE2-NE2 3.75Å; H195-H200 PolarHBondContact CE1-O 3.1Å; H195-H200 PolarHBondContact NE2-O 2.91Å; Q196-H200 WeakPolarHBondContact O-CB 3.22Å; Q196-H200 PolarHBondContact O-N 3.47Å; H200-R202 PolarHBondContact O-N 3.38Å
201K88.7Confident88.9Confident164 Ų16479.2 Ų79.271%0.71338%0.375SS*.  trans-50.9131.2178.8-66.3-176.5-178.2179.60111.9E197E197-K201 VanDerWaalsContact O-CG 3.26Å; E197-K201 WeakPolarHBondContact O-CG 3.42Å; E197-K201 PolarHBondContact O-N 2.9Å
202R90.8Very high88.6Confident49 Ų4979.2 Ų79.219%0.18538%0.376CS..  trans-67.4130.9173.6-72.8173.9177.265.59.1109.9Y129 W160 H195 H200 V204Y129-R202 PolarHBondContact OH-NE 3.42Å; Y129-R202 VanDerWaalsContact OH-NE 3.08Å; W160-R202 HydrophobicContact CB-CB 4.08Å; W160-R202 HydrophobicContact CD2-CB 4.33Å; W160-R202 HydrophobicContact CD2-CG 4.34Å; W160-R202 HydrophobicContact CG-CB 3.88Å; W160-R202 HydrophobicContact CG-CG 3.92Å; H195-R202 PolarHBondContact NE2-NH1 3.25Å; H200-R202 PolarHBondContact O-N 3.38Å; R202-V204 HydrophobicContact CB-CG1 3.93Å; R202-V204 PolarHBondContact O-N 3.46Å
203D92.1Very high88.5Confident41 Ų4177.4 Ų77.422%0.21938%0.376CS..  trans-82.881.7177.4-178.34.7000111.1R44 W160 K205R44-D203 WeakPolarHBondContact CG-OD2 3.39Å; R44-D203 IonicContact CZ-OD1 3.33Å; R44-D203 IonicContact CZ-OD2 3.28Å; R44-D203 VanDerWaalsContact CZ-OD2 3.28Å; R44-D203 VanDerWaalsContact NE-CG 3.26Å; R44-D203 IonicContact NE-OD1 3.2Å; R44-D203 PolarHBondContact NE-OD1 3.02Å; R44-D203 IonicContact NE-OD2 2.65Å; R44-D203 PolarHBondContact NE-OD2 2.81Å; R44-D203 PolarHBondContact NH2-O 3.38Å; R44-D203 IonicContact NH2-OD1 2.71Å; R44-D203 PolarHBondContact NH2-OD1 2.81Å; R44-D203 IonicContact NH2-OD2 3.27Å; R44-D203 PolarHBondContact NH2-OD2 2.86Å; W160-D203 PolarHBondContact N-O 3.48Å; D203-K205 VanDerWaalsContact C-N 3.34Å; D203-K205 PolarHBondContact O-N 3.18Å
204V92Very high88.4Confident70 Ų7079.4 Ų79.442%0.42439%0.387SS..  trans-86.65.3-172-59.70000114.7W160 R202 T206 Y207W160-V204 HydrophobicContact CE3-CG1 3.91Å; R202-V204 HydrophobicContact CB-CG1 3.93Å; R202-V204 PolarHBondContact O-N 3.46Å; V204-T206 PolarHBondContact O-N 2.85Å; V204-T206 VanDerWaalsContact O-N 3.08Å; V204-Y207 VanDerWaalsContact O-CB 3.3Å; V204-Y207 WeakPolarHBondContact O-CB 3.26Å; V204-Y207 PolarHBondContact O-N 3.2Å
205K90Very high88.3Confident146 Ų14679 Ų7964%0.63539%0.386SS*.THydrogen-bonded Turntrans-58.2-29.3-170.6-65.1-175.8176.2-170.70114.6D203 S261D203-K205 VanDerWaalsContact C-N 3.34Å; D203-K205 PolarHBondContact O-N 3.18Å; K205-S261 VanDerWaalsContact NZ-CB 3.34Å; K205-S261 PolarHBondContact NZ-OG 2.98Å
206T89.1Confident88.5Confident13 Ų1378.5 Ų78.58%0.0838%0.384CS..THydrogen-bonded Turntrans-95.4-11.6178.234.80000114.2R44 W158 V204 Y208 N209 V212R44-T206 PolarHBondContact NH1-OG1 3.01Å; R44-T206 PolarHBondContact NH2-OG1 3.05Å; W158-T206 PolarHBondContact O-OG1 2.79Å; V204-T206 PolarHBondContact O-N 2.85Å; V204-T206 VanDerWaalsContact O-N 3.08Å; T206-Y208 PolarHBondContact O-N 2.73Å; T206-Y208 VanDerWaalsContact O-N 3.15Å; T206-N209 WeakPolarHBondContact O-CB 3.19Å; T206-N209 PolarHBondContact O-N 3.06Å; T206-V212 HydrophobicContact CG2-CG2 3.92Å; T206-V212 WeakPolarHBondContact O-CB 3.26Å
207Y90.2Very high88.8Confident41 Ų4184.2 Ų84.216%0.16140%0.401CS..THydrogen-bonded Turntrans-60.4-35-165.7-178-99000113.3W160 R162 V204W160-Y207 AromaticContact CE3-CD2 3.73Å; W160-Y207 HydrophobicContact CE3-CD2 3.73Å; W160-Y207 HydrophobicContact CE3-CE2 4.1Å; W160-Y207 HydrophobicContact CE3-CG 4.3Å; W160-Y207 HydrophobicContact CH2-CD2 4.48Å; W160-Y207 HydrophobicContact CH2-CE2 4.02Å; W160-Y207 AromaticContact CZ3-CD2 3.46Å; W160-Y207 HydrophobicContact CZ3-CD2 3.46Å; W160-Y207 VanDerWaalsContact CZ3-CD2 3.46Å; W160-Y207 HydrophobicContact CZ3-CE1 4.5Å; W160-Y207 AromaticContact CZ3-CE2 3.39Å; W160-Y207 HydrophobicContact CZ3-CE2 3.39Å; W160-Y207 HydrophobicContact CZ3-CG 4.08Å; W160-Y207 AromaticContact CZ3-CZ 3.94Å; R162-Y207 HydrophobicContact CG-CD2 4.25Å; R162-Y207 HydrophobicContact CG-CE2 4.18Å; R162-Y207 PolarHBondContact NH2-OH 2.71Å; V204-Y207 VanDerWaalsContact O-CB 3.3Å; V204-Y207 WeakPolarHBondContact O-CB 3.26Å; V204-Y207 PolarHBondContact O-N 3.2Å
208Y91.7Very high89.2Confident189 Ų18983.8 Ų83.874%0.74140%0.403SS*.THydrogen-bonded Turntrans-100.22.8178.1-59.4-69.4000114T206 P210T206-Y208 PolarHBondContact O-N 2.73Å; T206-Y208 VanDerWaalsContact O-N 3.15Å; Y208-P210 WeakPolarHBondContact O-CD 3.25Å
209N90.6Very high89.4Confident47 Ų4779.6 Ų79.625%0.25138%0.383SS..  trans-66.2123.5178.3-179.4-17000109.2T206 D211 V212 V213T206-N209 WeakPolarHBondContact O-CB 3.19Å; T206-N209 PolarHBondContact O-N 3.06Å; N209-D211 PolarHBondContact O-N 3.36Å; N209-D211 PolarHBondContact OD1-N 2.87Å; N209-V212 HydrophobicContact CB-CB 4.14Å; N209-V212 HydrophobicContact CB-CG2 3.89Å; N209-V212 WeakPolarHBondContact O-CA 3.48Å; N209-V212 WeakPolarHBondContact O-CB 3.41Å; N209-V212 PolarHBondContact O-N 3.49Å; N209-V213 PolarHBondContact O-N 3.14Å
210P92Very high89.7Confident99 Ų9976.9 Ų76.964%0.64338%0.376SS*.Hα-helixtrans-53-37.2179-27.835.7000114.2Y208 V212 V213 N214Y208-P210 WeakPolarHBondContact O-CD 3.25Å; P210-V212 VanDerWaalsContact C-N 3.3Å; P210-V212 PolarHBondContact O-N 3.31Å; P210-V213 PolarHBondContact O-N 3.06Å; P210-N214 WeakPolarHBondContact O-CB 3.22Å; P210-N214 PolarHBondContact O-N 3.03Å
211D88.9Confident89.9Confident95 Ų9577.2 Ų77.251%0.50839%0.386SS..Hα-helixtrans-64.6-37.7177.9-64.8-31.6000111.3N209 N214 L215N209-D211 PolarHBondContact O-N 3.36Å; N209-D211 PolarHBondContact OD1-N 2.87Å; D211-N214 PolarHBondContact O-N 3.31Å; D211-L215 WeakPolarHBondContact O-CG 3.49Å; D211-L215 PolarHBondContact O-N 3.34Å
212V90Very high90.3Very high4 Ų469.6 Ų69.62%0.02435%0.354CS..Hα-helixtrans-73.2-38178.31760000111.1F157 T206 N209 P210 N214 L215 N256F157-V212 HydrophobicContact CD1-CG1 4.23Å; F157-V212 HydrophobicContact CE1-CG1 4.42Å; T206-V212 HydrophobicContact CG2-CG2 3.92Å; T206-V212 WeakPolarHBondContact O-CB 3.26Å; N209-V212 HydrophobicContact CB-CB 4.14Å; N209-V212 HydrophobicContact CB-CG2 3.89Å; N209-V212 WeakPolarHBondContact O-CA 3.48Å; N209-V212 WeakPolarHBondContact O-CB 3.41Å; N209-V212 PolarHBondContact O-N 3.49Å; P210-V212 VanDerWaalsContact C-N 3.3Å; P210-V212 PolarHBondContact O-N 3.31Å; V212-N214 VanDerWaalsContact C-N 3.29Å; V212-N214 PolarHBondContact O-N 3.26Å; V212-L215 WeakPolarHBondContact O-CB 3.43Å; V212-L215 PolarHBondContact O-N 3.26Å; V212-N256 HydrophobicContact CG2-CB 4.49Å; V212-N256 WeakPolarHBondContact CG2-ND2 3.42Å
213V92.2Very high90.6Very high61 Ų6167.9 Ų67.937%0.3735%0.349SS..Hα-helixtrans-63.4-38.4172.9176.20000110.8N209 P210 L215 I216N209-V213 PolarHBondContact O-N 3.14Å; P210-V213 PolarHBondContact O-N 3.06Å; V213-L215 VanDerWaalsContact C-N 3.26Å; V213-L215 PolarHBondContact O-N 2.82Å; V213-I216 HydrophobicContact CG1-CD1 4.48Å; V213-I216 WeakPolarHBondContact O-CB 3.32Å; V213-I216 WeakPolarHBondContact O-CG1 3.45Å; V213-I216 PolarHBondContact O-N 3.42Å
214N92.7Very high90.8Very high86 Ų8672.5 Ų72.546%0.4638%0.379SS..Hα-helixtrans-63.4-31.1177.3-173.745.7000112.7P210 D211 V212 I216 R217 N218P210-N214 WeakPolarHBondContact O-CB 3.22Å; P210-N214 PolarHBondContact O-N 3.03Å; D211-N214 PolarHBondContact O-N 3.31Å; V212-N214 VanDerWaalsContact C-N 3.29Å; V212-N214 PolarHBondContact O-N 3.26Å; N214-I216 PolarHBondContact O-N 2.66Å; N214-I216 VanDerWaalsContact O-N 3.16Å; N214-R217 PolarHBondContact O-N 3.14Å; N214-R217 VanDerWaalsContact O-N 3.11Å; N214-N218 PolarHBondContact O-N 3.22Å; N214-N218 PolarHBondContact OD1-ND2 2.98Å
215L91.8Very high90.9Very high17 Ų1772.3 Ų72.39%0.08938%0.38CS..THydrogen-bonded Turntrans-61-21.9176.3-68.6171.2000113.6F157 D211 V212 V213 R217 N218 P219 V220F157-L215 HydrophobicContact CE1-CB 3.88Å; F157-L215 HydrophobicContact CZ-CB 3.78Å; D211-L215 WeakPolarHBondContact O-CG 3.49Å; D211-L215 PolarHBondContact O-N 3.34Å; V212-L215 WeakPolarHBondContact O-CB 3.43Å; V212-L215 PolarHBondContact O-N 3.26Å; V213-L215 VanDerWaalsContact C-N 3.26Å; V213-L215 PolarHBondContact O-N 2.82Å; L215-R217 VanDerWaalsContact C-N 3.26Å; L215-R217 PolarHBondContact O-N 2.94Å; L215-N218 CarbonylContact O-C 3.5Å; L215-P219 VanDerWaalsContact O-CA 3.24Å; L215-P219 WeakPolarHBondContact O-CA 3.48Å; L215-V220 HydrophobicContact CD2-CG2 4.09Å
216I91.7Very high91.2Very high23 Ų2366.5 Ų66.512%0.11836%0.356CS..THydrogen-bonded Turntrans-63.1-36.6176.3-59.9170.2000110.9F157 R162 I169 V213 N214F157-I216 HydrophobicContact CE1-CG1 4.36Å; F157-I216 HydrophobicContact CZ-CG1 4.38Å; R162-I216 HydrophobicContact CB-CD1 4.17Å; R162-I216 HydrophobicContact CB-CG1 4.11Å; R162-I216 HydrophobicContact CG-CD1 4.09Å; I169-I216 HydrophobicContact CD1-CG2 3.5Å; I169-I216 VanDerWaalsContact CD1-CG2 3.5Å; V213-I216 HydrophobicContact CG1-CD1 4.48Å; V213-I216 WeakPolarHBondContact O-CB 3.32Å; V213-I216 WeakPolarHBondContact O-CG1 3.45Å; V213-I216 PolarHBondContact O-N 3.42Å; N214-I216 PolarHBondContact O-N 2.66Å; N214-I216 VanDerWaalsContact O-N 3.16Å
217R88.6Confident91.5Very high215 Ų21570.6 Ų70.681%0.81138%0.377SS*.THydrogen-bonded Turntrans-97.7-28.9-178.8-65.4-176.2179.91770.4112.7N214 L215 P219N214-R217 PolarHBondContact O-N 3.14Å; N214-R217 VanDerWaalsContact O-N 3.11Å; L215-R217 VanDerWaalsContact C-N 3.26Å; L215-R217 PolarHBondContact O-N 2.94Å; R217-P219 VanDerWaalsContact C-CD 3.41Å; R217-P219 WeakPolarHBondContact O-CD 3.35Å
218N89.4Confident91.8Very high95 Ų9571 Ų7151%0.50838%0.379SS..SBendtrans-123.667.5-178.6-61.2-64.6000109.7N214 L215N214-N218 PolarHBondContact O-N 3.22Å; N214-N218 PolarHBondContact OD1-ND2 2.98Å; L215-N218 CarbonylContact O-C 3.5Å
219P81.7Confident92.1Very high52 Ų5264.9 Ų64.934%0.33836%0.361SS..  trans-70143.5-174.830.7-37.6000111.4E166 L215 R217E166-P219 HydrophobicContact CG-CB 3.85Å; E166-P219 HydrophobicContact CG-CG 4.43Å; E166-P219 WeakPolarHBondContact OE1-CB 3.34Å; E166-P219 WeakPolarHBondContact OE1-CG 3.32Å; L215-P219 VanDerWaalsContact O-CA 3.24Å; L215-P219 WeakPolarHBondContact O-CA 3.48Å; R217-P219 VanDerWaalsContact C-CD 3.41Å; R217-P219 WeakPolarHBondContact O-CD 3.35Å
220V84.4Confident92.5Very high80 Ų8064.2 Ų64.249%0.48536%0.359SS..  trans-108.9126.3176.9-179.50000109.3S156 L215S156-V220 WeakPolarHBondContact OG-CB 3.3Å; S156-V220 PolarHBondContact OG-O 3.41Å; L215-V220 HydrophobicContact CD2-CG2 4.09Å
221G90.4Very high92.8Very high34 Ų3463 Ų6335%0.35135%0.35SS..  trans72.8-174.4175.900000116R170 S225R170-G221 PolarHBondContact NH1-O 2.95Å; R170-G221 PolarHBondContact NH2-O 3.24Å; G221-S225 WeakPolarHBondContact CA-OG 3.14Å
222G95.8Very high93.2Very high4 Ų461.6 Ų61.64%0.04134%0.339CS..  trans173.1-147.5176.700000112.6G151 M153 N155 T224 S225 I226G151-G222 CarbonylContact O-C 3.54Å; G151-G222 WeakPolarHBondContact O-CA 3.41Å; M153-G222 VanDerWaalsContact O-CA 3.27Å; M153-G222 WeakPolarHBondContact O-CA 3.05Å; N155-G222 PolarHBondContact ND2-N 3.09Å; N155-G222 PolarHBondContact ND2-O 3.15Å; G222-T224 VanDerWaalsContact C-N 3.29Å; G222-T224 PolarHBondContact O-N 3.4Å; G222-S225 PolarHBondContact N-OG 3.37Å; G222-S225 PolarHBondContact O-N 2.81Å; G222-S225 VanDerWaalsContact O-N 3.14Å; G222-I226 PolarHBondContact O-N 3.39Å
223L97.5Very high93.6Very high13 Ų1364.1 Ų64.17%0.06835%0.348CS..THydrogen-bonded Turntrans-54.5-40-174.6-175.959.5000113.8N52 A55 L56 Y147 G151 I226N52-L223 HydrophobicContact CB-CD1 4.08Å; A55-L223 HydrophobicContact CB-CD1 4.23Å; L56-L223 HydrophobicContact CD1-CD1 4.22Å; L56-L223 HydrophobicContact CD2-CD1 3.78Å; L56-L223 HydrophobicContact CD2-CG 4.22Å; L56-L223 HydrophobicContact CG-CD1 3.69Å; Y147-L223 HydrophobicContact CD1-CD2 4.11Å; Y147-L223 HydrophobicContact CE1-CD1 4.08Å; Y147-L223 HydrophobicContact CE1-CD2 4.33Å; G151-L223 WeakPolarHBondContact O-CB 2.98Å; G151-L223 PolarHBondContact O-N 3.4Å; L223-I226 WeakPolarHBondContact O-CG2 2.98Å
224T95.8Very high93.9Very high139 Ų13965 Ų6585%0.85335%0.345SS*.THydrogen-bonded Turntrans-89.3-12.2-176.155.70000113.6G222G222-T224 VanDerWaalsContact C-N 3.29Å; G222-T224 PolarHBondContact O-N 3.4Å
225S95Very high94.1Very high65 Ų6563 Ų6346%0.45533%0.334SS..THydrogen-bonded Turntrans-113.97.1-178.380.90000112.6N155 G221 G222 N227N155-S225 PolarHBondContact ND2-OG 2.91Å; G221-S225 WeakPolarHBondContact CA-OG 3.14Å; G222-S225 PolarHBondContact N-OG 3.37Å; G222-S225 PolarHBondContact O-N 2.81Å; G222-S225 VanDerWaalsContact O-N 3.14Å; S225-N227 PolarHBondContact O-N 1.93Å
226I95.3Very high94.3Very high24 Ų2464.3 Ų64.312%0.12334%0.34CS..  trans-67.1129.5176.8-176.360.4000109.2A49 N52 V53 L56 N155 G222 L223 Y228 L250A49-I226 HydrophobicContact CB-CD1 3.61Å; N52-I226 HydrophobicContact CB-CB 4.46Å; N52-I226 HydrophobicContact CB-CG2 4.43Å; V53-I226 HydrophobicContact CG2-CG1 4.06Å; L56-I226 HydrophobicContact CD1-CG2 3.64Å; N155-I226 HydrophobicContact CB-CD1 4.18Å; N155-I226 VanDerWaalsContact ND2-CA 3.33Å; N155-I226 WeakPolarHBondContact ND2-CA 3.21Å; N155-I226 PolarHBondContact ND2-N 3.4Å; N155-I226 WeakPolarHBondContact OD1-CD1 3.41Å; G222-I226 PolarHBondContact O-N 3.39Å; L223-I226 WeakPolarHBondContact O-CG2 2.98Å; I226-Y228 HydrophobicContact CG1-CD1 4.07Å; I226-Y228 HydrophobicContact CG2-CD1 4.14Å; I226-Y228 HydrophobicContact CG2-CE1 4.15Å; I226-L250 HydrophobicContact CD1-CD2 4.38Å
227N95.3Very high94.5Very high99 Ų9968 Ų6853%0.52936%0.364SS..  trans-110.9116.2178.4-169.81.7000109.3S225 Y251S225-N227 PolarHBondContact O-N 1.93Å; N227-Y251 PolarHBondContact O-N 3.15Å; N227-Y251 WeakPolarHBondContact OD1-CD2 3.46Å
228Y97.6Very high94.9Very high50 Ų5058.5 Ų58.520%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-154158.7-177.273.4-75.6000111.7V53 L56 E57 I226 V230 V248 K249V53-Y228 HydrophobicContact CB-CE2 4.49Å; V53-Y228 HydrophobicContact CG1-CD2 3.94Å; V53-Y228 HydrophobicContact CG1-CE2 3.77Å; V53-Y228 HydrophobicContact CG2-CD1 3.8Å; V53-Y228 HydrophobicContact CG2-CD2 3.82Å; V53-Y228 HydrophobicContact CG2-CE1 4.14Å; V53-Y228 HydrophobicContact CG2-CE2 4.16Å; V53-Y228 HydrophobicContact CG2-CG 3.63Å; L56-Y228 HydrophobicContact CD1-CE1 3.95Å; E57-Y228 HydrophobicContact CG-CE2 4.2Å; E57-Y228 WeakPolarHBondContact OE1-CE2 3.14Å; E57-Y228 PolarHBondContact OE1-OH 3.44Å; I226-Y228 HydrophobicContact CG1-CD1 4.07Å; I226-Y228 HydrophobicContact CG2-CD1 4.14Å; I226-Y228 HydrophobicContact CG2-CE1 4.15Å; Y228-V230 HydrophobicContact CD2-CG2 4.11Å; Y228-V230 HydrophobicContact CE2-CG2 3.63Å; Y228-V248 HydrophobicContact CD2-CB 4.46Å; Y228-V248 HydrophobicContact CD2-CG1 4.23Å; Y228-K249 CarbonylContact C-O 3.49Å; Y228-K249 WeakPolarHBondContact CA-O 3.4Å; Y228-K249 WeakPolarHBondContact CB-O 3.45Å
229T98Very high95.2Very high60 Ų6058 Ų5837%0.36833%0.333SS..EExtended strand (participates in β ladder)trans-119.9133167.7-67.60000109.3V231 V248 K249 Y251T229-V231 PolarHBondContact O-N 3.26Å; T229-V248 WeakPolarHBondContact O-CA 3.44Å; T229-K249 PolarHBondContact N-O 3.08Å; T229-K249 PolarHBondContact O-N 3.36Å; T229-Y251 VanDerWaalsContact OG1-CE2 3.26Å; T229-Y251 WeakPolarHBondContact OG1-CE2 3.49Å; T229-Y251 PolarHBondContact OG1-OH 3.49Å
230V98.6Very high95.9Very high33 Ų3360.9 Ų60.920%0.236%0.355CS..EExtended strand (participates in β ladder)trans-79.5112.8166.4-1780000109.1E57 Y228 R233 I246 V248E57-V230 HydrophobicContact CG-CG2 4.43Å; E57-V230 WeakPolarHBondContact OE1-CG2 3.15Å; Y228-V230 HydrophobicContact CD2-CG2 4.11Å; Y228-V230 HydrophobicContact CE2-CG2 3.63Å; V230-R233 HydrophobicContact CG1-CG 3.65Å; V230-I246 HydrophobicContact CG1-CG2 3.8Å; V230-I246 HydrophobicContact CG2-CG2 4.16Å; V230-V248 HydrophobicContact CG2-CG1 4.16Å
231V98.2Very high96.6Very high74 Ų7458 Ų5845%0.44834%0.336SS..EExtended strand (participates in β ladder)trans-76.3-42.7177.9178.90000110.6V40 T229 N247 K249V40-V231 HydrophobicContact CG2-CB 4.4Å; V40-V231 HydrophobicContact CG2-CG2 3.87Å; T229-V231 PolarHBondContact O-N 3.26Å; V231-N247 HydrophobicContact CB-CB 4.22Å; V231-N247 PolarHBondContact N-O 3.29Å; V231-K249 HydrophobicContact CG2-CD 4Å; V231-K249 HydrophobicContact CG2-CG 3.72Å
232K97.4Very high96.9Very high65 Ų6560.1 Ų60.128%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-162.9141.9-174.3-168.8159.3-76.7-119.20110.7E69 R234 N247E69-K232 IonicContact OE1-NZ 3.85Å; E69-K232 PolarHBondContact OE1-NZ 3.37Å; E69-K232 VanDerWaalsContact OE2-CD 3.22Å; E69-K232 WeakPolarHBondContact OE2-CD 2.83Å; E69-K232 IonicContact OE2-NZ 2.8Å; E69-K232 PolarHBondContact OE2-NZ 2.74Å; K232-R234 HydrophobicContact CD-CG 4.43Å; K232-R234 HydrophobicContact CG-CG 4.07Å; K232-N247 HydrophobicContact CB-CB 4.26Å; K232-N247 PolarHBondContact N-O 3.26Å; K232-N247 PolarHBondContact O-N 3.48Å
233R98.5Very high97Very high58 Ų5860 Ų6022%0.21934%0.342CS..EExtended strand (participates in β ladder)trans-115.6130.3169.2-56.5-175.5-179.389.2-5.9108.4E57 I67 V68 E69 V230 I245 I246E57-R233 IonicContact OE1-NH2 2.72Å; E57-R233 PolarHBondContact OE1-NH2 3Å; E57-R233 IonicContact OE2-CZ 2.92Å; E57-R233 IonicContact OE2-NE 3.79Å; E57-R233 PolarHBondContact OE2-NE 2.79Å; E57-R233 IonicContact OE2-NH2 3.76Å; E57-R233 PolarHBondContact OE2-NH2 2.86Å; I67-R233 WeakPolarHBondContact O-CB 3.36Å; V68-R233 HydrophobicContact CG1-CB 4.1Å; E69-R233 PolarHBondContact N-O 3.17Å; V230-R233 HydrophobicContact CG1-CG 3.65Å; R233-I245 CarbonylContact C-O 3.58Å; R233-I245 WeakPolarHBondContact CA-O 3.37Å; R233-I246 HydrophobicContact CG-CG1 4.49Å; R233-I246 HydrophobicContact CG-CG2 4.26Å
234R97.7Very high97Very high79 Ų7959.5 Ų59.530%0.29834%0.34SS..EExtended strand (participates in β ladder)trans-127.2140.8174.4-53.7-169.9156.7-178.8-2.9111.6E69 K232 I236 I244 I245E69-R234 HydrophobicContact CB-CG 4.16Å; E69-R234 CarbonylContact O-C 3.57Å; E69-R234 WeakPolarHBondContact O-CA 2.9Å; E69-R234 IonicContact OE2-CZ 3.48Å; E69-R234 IonicContact OE2-NE 3.37Å; E69-R234 PolarHBondContact OE2-NE 3.45Å; E69-R234 IonicContact OE2-NH2 3.25Å; E69-R234 PolarHBondContact OE2-NH2 3.27Å; K232-R234 HydrophobicContact CD-CG 4.43Å; K232-R234 HydrophobicContact CG-CG 4.07Å; R234-I236 HydrophobicContact CB-CG2 4.21Å; R234-I244 WeakPolarHBondContact O-CA 3.24Å; R234-I245 HydrophobicContact CB-CG2 3.62Å; R234-I245 HydrophobicContact CG-CG2 4.34Å; R234-I245 PolarHBondContact N-O 3.16Å; R234-I245 PolarHBondContact O-N 3.08Å
235L97.7Very high97.2Very high44 Ų4454 Ų5423%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-89.4114163.6-17965.5000107.6V68 E69 P242 I244V68-L235 HydrophobicContact CB-CB 4.34Å; V68-L235 HydrophobicContact CG2-CB 4.04Å; E69-L235 PolarHBondContact O-N 2.65Å; L235-P242 HydrophobicContact CD1-CB 4.08Å; L235-I244 HydrophobicContact CD1-CG1 4.26Å
236I96.2Very high97.4Very high44 Ų4451 Ų5123%0.22628%0.284CS..EExtended strand (participates in β ladder)trans-112.5163.6177.163167.7000109.7R234 I238 P242 A243 I245R234-I236 HydrophobicContact CB-CG2 4.21Å; I236-I238 HydrophobicContact CD1-CG1 4.48Å; I236-P242 WeakPolarHBondContact O-CA 3.3Å; I236-A243 HydrophobicContact CG1-CB 4.13Å; I236-A243 WeakPolarHBondContact CG1-O 3.4Å; I236-A243 PolarHBondContact N-O 3.11Å; I236-A243 PolarHBondContact O-N 2.66Å; I236-I245 HydrophobicContact CD1-CB 4.45Å; I236-I245 HydrophobicContact CD1-CG2 4.46Å; I236-I245 HydrophobicContact CG2-CG2 3.94Å
237T96.1Very high97.5Very high100 Ų10051.4 Ų51.461%0.61329%0.286SS*.EExtended strand (participates in β ladder)trans-124.2137.1168.557.10000110.1I241T237-I241 VanDerWaalsContact CA-O 3.28Å; T237-I241 WeakPolarHBondContact CA-O 3.34Å
238I96.6Very high97.7Very high16 Ų1646.7 Ų46.78%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-123.5120.4169.4-59.8-167000106.4L14 I18 I236 S240 I241L14-I238 HydrophobicContact CB-CD1 4.48Å; L14-I238 HydrophobicContact CD2-CD1 3.97Å; L14-I238 HydrophobicContact CG-CD1 3.75Å; I18-I238 HydrophobicContact CB-CB 4.17Å; I18-I238 HydrophobicContact CB-CG2 4.29Å; I18-I238 HydrophobicContact CD1-CB 4.18Å; I18-I238 HydrophobicContact CD1-CD1 3.64Å; I18-I238 HydrophobicContact CD1-CG1 3.99Å; I18-I238 HydrophobicContact CG1-CD1 4.26Å; I18-I238 HydrophobicContact CG2-CB 4.17Å; I236-I238 HydrophobicContact CD1-CG1 4.48Å; I238-S240 PolarHBondContact O-N 3.02Å; I238-I241 PolarHBondContact N-O 3.07Å; I238-I241 WeakPolarHBondContact O-CB 3.39Å; I238-I241 PolarHBondContact O-N 2.71Å
239S96.2Very high97.7Very high85 Ų8549 Ų4959%0.59427%0.272SS*.THydrogen-bonded Turntrans51.543.2-173.4-56.80000112.9I241S239-I241 PolarHBondContact O-N 3.2Å
240S95.8Very high97.6Very high112 Ų11246.3 Ų46.378%0.78326%0.256SS*.THydrogen-bonded Turntrans649.1-175.9-51.70000115.9I238I238-S240 PolarHBondContact O-N 3.02Å
241I97.9Very high97.3Very high20 Ų2050 Ų5010%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-96.9125.7179.2-60.9151.4000108.7I18 P19 N22 F34 T237 I238 S239I18-I241 HydrophobicContact CG2-CB 3.81Å; I18-I241 HydrophobicContact CG2-CD1 4.26Å; I18-I241 HydrophobicContact CG2-CG2 3.63Å; P19-I241 HydrophobicContact CB-CD1 4.03Å; N22-I241 HydrophobicContact CB-CD1 3.72Å; N22-I241 HydrophobicContact CB-CG1 4.31Å; N22-I241 HydrophobicContact CB-CG2 4.05Å; N22-I241 WeakPolarHBondContact ND2-CD1 3.39Å; F34-I241 HydrophobicContact CD2-CG2 4.25Å; F34-I241 HydrophobicContact CE2-CG2 3.96Å; T237-I241 VanDerWaalsContact CA-O 3.28Å; T237-I241 WeakPolarHBondContact CA-O 3.34Å; I238-I241 PolarHBondContact N-O 3.07Å; I238-I241 WeakPolarHBondContact O-CB 3.39Å; I238-I241 PolarHBondContact O-N 2.71Å; S239-I241 PolarHBondContact O-N 3.2Å
242P97.3Very high96.5Very high78 Ų7848.5 Ų48.551%0.50626%0.259SS..EExtended strand (participates in β ladder)trans-73.2139.4-178.129.5-34.2000112L235 I236L235-P242 HydrophobicContact CD1-CB 4.08Å; I236-P242 WeakPolarHBondContact O-CA 3.3Å
243A98.3Very high95.2Very high1 Ų152.6 Ų52.61%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-141.8148.2169.600000111I18 F34 I36 I236I18-A243 HydrophobicContact CD1-CB 3.62Å; F34-A243 HydrophobicContact CB-CB 3.75Å; I36-A243 HydrophobicContact CG1-CB 4.43Å; I236-A243 HydrophobicContact CG1-CB 4.13Å; I236-A243 WeakPolarHBondContact CG1-O 3.4Å; I236-A243 PolarHBondContact N-O 3.11Å; I236-A243 PolarHBondContact O-N 2.66Å
244I98.5Very high93.7Very high3 Ų351.2 Ų51.22%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-101.9113.7177.8-58.3167.4000107.7T33 F34 F35 I36 I66 V68 L85 L87 R234 L235 I246T33-I244 HydrophobicContact CG2-CD1 4.26Å; F34-I244 PolarHBondContact O-N 3.41Å; F35-I244 CarbonylContact C-O 3.5Å; F35-I244 WeakPolarHBondContact CA-O 3.49Å; F35-I244 HydrophobicContact CD1-CB 4.21Å; F35-I244 HydrophobicContact CD1-CD1 4.33Å; F35-I244 HydrophobicContact CD1-CG2 4.45Å; F35-I244 HydrophobicContact CE1-CB 4.49Å; F35-I244 HydrophobicContact CE1-CD1 3.79Å; F35-I244 HydrophobicContact CZ-CD1 4.23Å; I36-I244 PolarHBondContact N-O 2.97Å; I66-I244 HydrophobicContact CD1-CD1 4.36Å; I66-I244 HydrophobicContact CD1-CG2 4.12Å; V68-I244 HydrophobicContact CG1-CG2 4.45Å; L85-I244 HydrophobicContact CD2-CD1 3.67Å; L85-I244 HydrophobicContact CD2-CG1 4.16Å; L87-I244 HydrophobicContact CD1-CD1 3.67Å; R234-I244 WeakPolarHBondContact O-CA 3.24Å; L235-I244 HydrophobicContact CD1-CG1 4.26Å; I244-I246 HydrophobicContact CG2-CD1 4.3Å; I244-I246 HydrophobicContact CG2-CG1 3.88Å
245I98.5Very high92Very high25 Ų2555.8 Ų55.813%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-93.3127.5170.8-171.6169.8000109.5I36 N38 R233 R234 I236I36-I245 HydrophobicContact CB-CB 4.3Å; I36-I245 HydrophobicContact CB-CG1 4.23Å; I36-I245 HydrophobicContact CG2-CG1 4.34Å; I36-I245 WeakPolarHBondContact O-CA 3.5Å; N38-I245 HydrophobicContact CB-CD1 4.05Å; N38-I245 HydrophobicContact CB-CG1 3.9Å; R233-I245 CarbonylContact C-O 3.58Å; R233-I245 WeakPolarHBondContact CA-O 3.37Å; R234-I245 HydrophobicContact CB-CG2 3.62Å; R234-I245 HydrophobicContact CG-CG2 4.34Å; R234-I245 PolarHBondContact N-O 3.16Å; R234-I245 PolarHBondContact O-N 3.08Å; I236-I245 HydrophobicContact CD1-CB 4.45Å; I236-I245 HydrophobicContact CD1-CG2 4.46Å; I236-I245 HydrophobicContact CG2-CG2 3.94Å
246I98.7Very high90.5Very high0 Ų054.5 Ų54.50%030%0.304CS..EExtended strand (participates in β ladder)trans-117.8104.7-178.6-51.9-173.7000107.1F35 I36 I37 N38 E57 V230 R233 I244 V248F35-I246 HydrophobicContact CD1-CD1 4.1Å; I36-I246 PolarHBondContact O-N 3.2Å; I37-I246 HydrophobicContact CD1-CB 4.36Å; I37-I246 HydrophobicContact CD1-CD1 4.15Å; I37-I246 HydrophobicContact CD1-CG1 4.46Å; N38-I246 PolarHBondContact N-O 2.93Å; E57-I246 HydrophobicContact CB-CD1 3.52Å; E57-I246 HydrophobicContact CG-CD1 4.08Å; E57-I246 HydrophobicContact CG-CG2 4.35Å; V230-I246 HydrophobicContact CG1-CG2 3.8Å; V230-I246 HydrophobicContact CG2-CG2 4.16Å; R233-I246 HydrophobicContact CG-CG1 4.49Å; R233-I246 HydrophobicContact CG-CG2 4.26Å; I244-I246 HydrophobicContact CG2-CD1 4.3Å; I244-I246 HydrophobicContact CG2-CG1 3.88Å; I246-V248 HydrophobicContact CG2-CG1 3.6Å; I246-V248 PolarHBondContact O-N 3.32Å
247N98.7Very high89.1Confident33 Ų3354 Ų5418%0.17630%0.304CS..EExtended strand (participates in β ladder)trans-77.5117.5175-69.7-7.2000108.6N38 V40 V231 K232N38-N247 PolarHBondContact ND2-OD1 3.35Å; N38-N247 WeakPolarHBondContact O-CA 3.39Å; V40-N247 HydrophobicContact CG1-CB 3.83Å; V40-N247 HydrophobicContact CG2-CB 4.15Å; V231-N247 HydrophobicContact CB-CB 4.22Å; V231-N247 PolarHBondContact N-O 3.29Å; K232-N247 HydrophobicContact CB-CB 4.26Å; K232-N247 PolarHBondContact N-O 3.26Å; K232-N247 PolarHBondContact O-N 3.48Å
248V98.6Very high87.9Confident0 Ų055.9 Ų55.90%030%0.303CS..EExtended strand (participates in β ladder)trans-125.2141.6-176.9-60.20000112.1I37 N38 V40 L50 V53 Y228 T229 V230 I246 L250I37-V248 HydrophobicContact CG2-CG2 3.91Å; N38-V248 PolarHBondContact O-N 3.12Å; V40-V248 WeakPolarHBondContact CG2-O 3.49Å; V40-V248 PolarHBondContact N-O 2.97Å; L50-V248 HydrophobicContact CD2-CG2 3.61Å; V53-V248 HydrophobicContact CG1-CB 4.42Å; V53-V248 HydrophobicContact CG1-CG1 3.73Å; V53-V248 HydrophobicContact CG1-CG2 4.35Å; Y228-V248 HydrophobicContact CD2-CB 4.46Å; Y228-V248 HydrophobicContact CD2-CG1 4.23Å; T229-V248 WeakPolarHBondContact O-CA 3.44Å; V230-V248 HydrophobicContact CG2-CG1 4.16Å; I246-V248 HydrophobicContact CG2-CG1 3.6Å; I246-V248 PolarHBondContact O-N 3.32Å; V248-L250 HydrophobicContact CG2-CD2 4.45Å
249K97.9Very high86.7Confident98 Ų9861 Ų6143%0.42633%0.33SS..EExtended strand (participates in β ladder)trans-102.3120164.9-71.2-177.4177-171.20107.9V40 D41 Y228 T229 V231V40-K249 HydrophobicContact CG2-CG 3.97Å; D41-K249 HydrophobicContact CB-CB 4.27Å; D41-K249 HydrophobicContact CB-CG 4.22Å; Y228-K249 CarbonylContact C-O 3.49Å; Y228-K249 WeakPolarHBondContact CA-O 3.4Å; Y228-K249 WeakPolarHBondContact CB-O 3.45Å; T229-K249 PolarHBondContact N-O 3.08Å; T229-K249 PolarHBondContact O-N 3.36Å; V231-K249 HydrophobicContact CG2-CD 4Å; V231-K249 HydrophobicContact CG2-CG 3.72Å
250L96.4Very high85.2Confident5 Ų562.3 Ų62.33%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-82.5138170.6-57.1-179.1000109.2Q39 D41 L43 N46 A49 L50 V53 W158 I226 V248Q39-L250 HydrophobicContact CG-CD1 4.11Å; Q39-L250 HydrophobicContact CG-CG 4.26Å; D41-L250 PolarHBondContact OD2-N 3.47Å; L43-L250 WeakPolarHBondContact CD1-O 3.46Å; N46-L250 HydrophobicContact CB-CD1 3.84Å; A49-L250 HydrophobicContact CB-CD1 3.74Å; A49-L250 HydrophobicContact CB-CD2 4.29Å; L50-L250 HydrophobicContact CD2-CD1 4.1Å; L50-L250 HydrophobicContact CD2-CD2 4.37Å; L50-L250 HydrophobicContact CD2-CG 4.38Å; L50-L250 HydrophobicContact CG-CD1 4.26Å; V53-L250 HydrophobicContact CG2-CD2 3.96Å; W158-L250 HydrophobicContact CH2-CB 3.81Å; W158-L250 HydrophobicContact CH2-CD1 4.08Å; W158-L250 HydrophobicContact CZ3-CB 4.4Å; W158-L250 HydrophobicContact CZ3-CD1 4.22Å; I226-L250 HydrophobicContact CD1-CD2 4.38Å; V248-L250 HydrophobicContact CG2-CD2 4.45Å
251Y93Very high83.4Confident109 Ų10963.1 Ų63.143%0.42733%0.331SS..PPolyproline II helixtrans-100.1151.6168.3-61.4-80.6000109.5N227 T229N227-Y251 PolarHBondContact O-N 3.15Å; N227-Y251 WeakPolarHBondContact OD1-CD2 3.46Å; T229-Y251 VanDerWaalsContact OG1-CE2 3.26Å; T229-Y251 WeakPolarHBondContact OG1-CE2 3.49Å; T229-Y251 PolarHBondContact OG1-OH 3.49Å
252C81.1Confident82.6Confident44 Ų4465.3 Ų65.330%0.29734%0.342SS..  trans-132.2137.8-179.1-175.20000112.7L43 W158 S254 C257L43-C252 HydrophobicContact CD1-CB 4.13Å; W158-C252 HydrophobicContact CH2-CB 4.18Å; W158-C252 HydrophobicContact CZ2-CB 3.72Å; C252-S254 PolarHBondContact SG-N 2.98Å; C252-S254 PolarHBondContact SG-OG 3.07Å; C252-C257 HydrophobicContact CB-CB 3.45Å; C252-C257 VanDerWaalsContact CB-CB 3.45Å; C252-C257 WeakPolarHBondContact CB-SG 3.44Å; C252-C257 WeakPolarHBondContact SG-CB 3.49Å; C252-C257 CovalentContact SG-SG 1.93Å; C252-C257 PolarHBondContact SG-SG 3.4Å
253D69.3Low81.9Confident151 Ų15164.6 Ų64.681%0.80733%0.334SS*.  trans-112-0.9173.357.9-1.7000113.1
254S67.3Low80.9Confident29 Ų2968.2 Ų68.220%0.20335%0.352CS..SBendtrans-96.4147.7-174.484.50000114.1C252 N256 C257C252-S254 PolarHBondContact SG-N 2.98Å; C252-S254 PolarHBondContact SG-OG 3.07Å; S254-N256 PolarHBondContact O-N 2.97Å; S254-C257 WeakPolarHBondContact O-CB 3.34Å; S254-C257 PolarHBondContact O-N 3.15Å; S254-C257 VanDerWaalsContact O-N 3.15Å; S254-C257 PolarHBondContact OG-SG 2.91Å; S254-C257 VanDerWaalsContact OG-SG 3.36Å
255M62.6Low79.9Confident174 Ų17472 Ų7286%0.85737%0.372SS*.THydrogen-bonded Turntrans-58.7-19.2174.2-75.1-170-87.600114.1C257M255-C257 VanDerWaalsContact C-N 3.29Å; M255-C257 PolarHBondContact O-N 3.06Å
256N65.4Low78.8Confident18 Ų1874.9 Ų74.910%0.09639%0.387CS..THydrogen-bonded Turntrans-86.1-2-177.8-68.4-41.3000113.5V212 S254 K258V212-N256 HydrophobicContact CG2-CB 4.49Å; V212-N256 WeakPolarHBondContact CG2-ND2 3.42Å; S254-N256 PolarHBondContact O-N 2.97Å; N256-K258 PolarHBondContact O-N 3.43Å
257C67.4Low77.4Confident33 Ų3379.9 Ų79.922%0.22341%0.413CS..  trans-78.696.3177.6-73.70000111.4W158 C252 S254 M255W158-C257 VanDerWaalsContact CD2-SG 3.51Å; W158-C257 VanDerWaalsContact CZ2-SG 3.5Å; W158-C257 PolarHBondContact NE1-SG 2.97Å; C252-C257 HydrophobicContact CB-CB 3.45Å; C252-C257 VanDerWaalsContact CB-CB 3.45Å; C252-C257 WeakPolarHBondContact CB-SG 3.44Å; C252-C257 WeakPolarHBondContact SG-CB 3.49Å; C252-C257 CovalentContact SG-SG 1.93Å; C252-C257 PolarHBondContact SG-SG 3.4Å; S254-C257 WeakPolarHBondContact O-CB 3.34Å; S254-C257 PolarHBondContact O-N 3.15Å; S254-C257 VanDerWaalsContact O-N 3.15Å; S254-C257 PolarHBondContact OG-SG 2.91Å; S254-C257 VanDerWaalsContact OG-SG 3.36Å; M255-C257 VanDerWaalsContact C-N 3.29Å; M255-C257 PolarHBondContact O-N 3.06Å
258K70Confident75.9Confident140 Ų14083.3 Ų83.361%0.60943%0.429SS*.  trans-110.1147.5170.9-61.8-171.3178.5-176.40108.6R44 N256R44-K258 WeakPolarHBondContact CG-O 3.39Å; R44-K258 PolarHBondContact N-O 2.88Å; N256-K258 PolarHBondContact O-N 3.43Å
259L72.4Confident74.2Confident122 Ų12289.7 Ų89.764%0.63946%0.462SS*.BIsolated β-bridgetrans-58.1149.7168.3-65.1170.2000109.3D42 L43 S261D42-L259 HydrophobicContact CB-CD2 3.92Å; D42-L259 CarbonylContact O-C 3.59Å; D42-L259 WeakPolarHBondContact O-CA 3.36Å; L43-L259 HydrophobicContact CD2-CD2 4.37Å; L259-S261 PolarHBondContact O-N 3.19Å
260K63.9Low72.2Confident113 Ų11389 Ų8949%0.49147%0.465SS..  trans-59.6110.7166.9-172.7-177.3178.8-170.90106.7D9 D42D9-K260 IonicContact OD2-NZ 3.17Å; D9-K260 PolarHBondContact OD2-NZ 2.96Å; D42-K260 WeakPolarHBondContact O-CB 3.17Å; D42-K260 PolarHBondContact O-N 2.79Å
261S57.5Low70Confident130 Ų13096.6 Ų96.691%0.90951%0.505SS*.  trans-72.40173.160.90000111.8K205 L259K205-S261 VanDerWaalsContact NZ-CB 3.34Å; K205-S261 PolarHBondContact NZ-OG 2.98Å; L259-S261 PolarHBondContact O-N 3.19Å

Retrieved 261 of 261 residues in 83.4 ms (Link to these results)

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