A0A3Q0KQR0_SCHMA Loading...

Putative prion interactor pint1

AlphaFold DB , UniProt , Accession A0A3Q0KQR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 201 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M46.4Very low86.1Confident237 Ų23778.4 Ų78.4100%1.16739%0.387SS*.  0135.40-82.3161.759.400108N3M1-N3 PolarHBondContact O-N 3.08Å
2K60Low87.1Confident204 Ų20471.8 Ų71.889%0.88736%0.355SS*.  trans-66.8116.4168.3-77.6-175.6176.3-177.50106.8V4K2-V4 PolarHBondContact O-N 3.21Å; K2-V4 VanDerWaalsContact O-N 3.08Å
3N72.7Confident88Confident44 Ų4466.3 Ų66.324%0.23533%0.328CS..  trans-70.3100.6176.5-173.5-2.4000107.9M1 Q5 I188 G191 A192 T193M1-N3 PolarHBondContact O-N 3.08Å; N3-Q5 PolarHBondContact O-N 2.79Å; N3-Q5 PolarHBondContact OD1-NE2 3.09Å; N3-I188 PolarHBondContact ND2-O 3.04Å; N3-I188 VanDerWaalsContact ND2-O 3.13Å; N3-G191 WeakPolarHBondContact ND2-CA 3.36Å; N3-G191 PolarHBondContact ND2-O 3.18Å; N3-A192 VanDerWaalsContact ND2-C 3.28Å; N3-A192 PolarHBondContact ND2-N 3.23Å; N3-A192 PolarHBondContact ND2-O 2.76Å; N3-T193 PolarHBondContact OD1-OG1 3.48Å
4V86.8Confident88.8Confident117 Ų11762.9 Ų62.971%0.70931%0.312SS*.  trans-72.7119.6-175.3179.90000108.4K2K2-V4 PolarHBondContact O-N 3.21Å; K2-V4 VanDerWaalsContact O-N 3.08Å
5Q95.4Very high89.5Confident24 Ų2459.4 Ų59.411%0.11229%0.294CS..  trans-91.7147.9177.7-60.7-61.5-35.300110.4N3 F7 F10 A40 A192N3-Q5 PolarHBondContact O-N 2.79Å; N3-Q5 PolarHBondContact OD1-NE2 3.09Å; Q5-F7 VanDerWaalsContact C-N 3.31Å; Q5-F10 HydrophobicContact CB-CE2 4.34Å; Q5-F10 HydrophobicContact CB-CZ 4.02Å; Q5-F10 HydrophobicContact CG-CE2 4Å; Q5-F10 HydrophobicContact CG-CZ 3.99Å; Q5-A40 HydrophobicContact CB-CB 3.87Å; Q5-A40 HydrophobicContact CG-CB 4.07Å; Q5-A192 PolarHBondContact NE2-O 3.24Å
6K94.8Very high90.1Very high130 Ų13056.6 Ų56.657%0.56528%0.28SS*.SBendtrans-66.1-33.8176.8179.6178.5179.2178.60112.8D195K6-D195 WeakPolarHBondContact CD-OD1 3.42Å; K6-D195 IonicContact NZ-OD1 3.49Å; K6-D195 PolarHBondContact NZ-OD1 3.27Å; K6-D195 IonicContact NZ-OD2 2.74Å; K6-D195 PolarHBondContact NZ-OD2 2.77Å
7F97.3Very high90.6Very high19 Ų1954.4 Ų54.48%0.08327%0.273CS..SBendtrans-105.3148.6-179.1-56.5-78000110.3Q5 F10 A40 A106 I138 V196Q5-F7 VanDerWaalsContact C-N 3.31Å; F7-F10 HydrophobicContact CB-CE1 4.34Å; F7-F10 HydrophobicContact CD2-CE1 4.15Å; F7-A40 WeakPolarHBondContact O-CB 3.5Å; F7-A106 HydrophobicContact CD1-CB 3.97Å; F7-A106 HydrophobicContact CD2-CB 3.72Å; F7-A106 HydrophobicContact CE1-CB 3.94Å; F7-A106 HydrophobicContact CE2-CB 3.69Å; F7-A106 HydrophobicContact CG-CB 3.86Å; F7-A106 HydrophobicContact CZ-CB 3.81Å; F7-I138 HydrophobicContact CD2-CD1 4.23Å; F7-I138 HydrophobicContact CE2-CD1 4.05Å; F7-V196 HydrophobicContact CE2-CG2 4.49Å; F7-V196 HydrophobicContact CZ-CG2 4Å
8A97.3Very high91Very high37 Ų3751.8 Ų51.831%0.30626%0.26SS..SBendtrans-76.5-31173.600000111.9A40 Q104A8-A40 VanDerWaalsContact O-CB 3.26Å; A8-A40 WeakPolarHBondContact O-CB 3.48Å; A8-A40 PolarHBondContact O-N 2.99Å; A8-Q104 WeakPolarHBondContact CA-O 3.49Å; A8-Q104 HydrophobicContact CB-CB 4.19Å; A8-Q104 WeakPolarHBondContact CB-O 3.45Å; A8-Q104 PolarHBondContact N-O 3.02Å
9Y98.7Very high91.4Very high50 Ų5050.9 Ų50.920%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-132.9147.3178.7-59.6-87.7000112.7M37 I38 N39 E46 L98 Q104 F105 A106Y9-M37 HydrophobicContact CD1-CE 4.36Å; Y9-M37 HydrophobicContact CD1-CG 3.78Å; Y9-M37 HydrophobicContact CD1-SD 4.27Å; Y9-M37 HydrophobicContact CE1-CE 4.07Å; Y9-M37 HydrophobicContact CE1-CG 4.42Å; Y9-M37 HydrophobicContact CE1-SD 4.45Å; Y9-M37 HydrophobicContact CG-CG 4.3Å; Y9-I38 CarbonylContact C-O 3.56Å; Y9-I38 VanDerWaalsContact CA-O 3.23Å; Y9-I38 WeakPolarHBondContact CA-O 3.47Å; Y9-N39 HydrophobicContact CD1-CB 4.18Å; Y9-N39 HydrophobicContact CE1-CB 3.98Å; Y9-E46 WeakPolarHBondContact CE1-OE2 3.49Å; Y9-L98 HydrophobicContact CD2-CD1 4.4Å; Y9-L98 HydrophobicContact CD2-CD2 3.53Å; Y9-L98 HydrophobicContact CE2-CD2 3.72Å; Y9-L98 HydrophobicContact CG-CD2 4.42Å; Y9-Q104 PolarHBondContact N-O 2.85Å; Y9-F105 WeakPolarHBondContact O-CA 3.14Å; Y9-F105 WeakPolarHBondContact O-CB 3.35Å; Y9-A106 PolarHBondContact O-N 2.87Å
10F98.8Very high91.6Very high0 Ų051.4 Ų51.40%026%0.26CS..EExtended strand (participates in β ladder)trans-109.4126.9166.1-62.9-62.4000109.1Q5 F7 I38 A40 A106 V108 I138 L184 I188 L194Q5-F10 HydrophobicContact CB-CE2 4.34Å; Q5-F10 HydrophobicContact CB-CZ 4.02Å; Q5-F10 HydrophobicContact CG-CE2 4Å; Q5-F10 HydrophobicContact CG-CZ 3.99Å; F7-F10 HydrophobicContact CB-CE1 4.34Å; F7-F10 HydrophobicContact CD2-CE1 4.15Å; F10-I38 HydrophobicContact CB-CB 4.45Å; F10-I38 PolarHBondContact N-O 3.13Å; F10-I38 PolarHBondContact O-N 3.5Å; F10-A40 HydrophobicContact CD2-CB 3.98Å; F10-A40 HydrophobicContact CE2-CB 3.59Å; F10-A40 HydrophobicContact CZ-CB 4.27Å; F10-A106 WeakPolarHBondContact CA-O 3.08Å; F10-V108 HydrophobicContact CB-CG2 3.83Å; F10-V108 HydrophobicContact CD1-CG2 3.81Å; F10-V108 HydrophobicContact CG-CG2 4.11Å; F10-I138 HydrophobicContact CD1-CD1 4.28Å; F10-I138 HydrophobicContact CE1-CD1 3.97Å; F10-L184 HydrophobicContact CB-CD2 3.79Å; F10-L184 HydrophobicContact CD2-CD2 4.17Å; F10-L184 HydrophobicContact CG-CD2 4.09Å; F10-I188 HydrophobicContact CD2-CD1 4.14Å; F10-I188 HydrophobicContact CE2-CD1 3.65Å; F10-I188 HydrophobicContact CZ-CD1 4.49Å; F10-L194 HydrophobicContact CD1-CD2 4.09Å; F10-L194 HydrophobicContact CE1-CB 3.68Å; F10-L194 HydrophobicContact CE1-CD2 3.72Å; F10-L194 HydrophobicContact CE1-CG 4.3Å; F10-L194 HydrophobicContact CE2-CD2 4.48Å; F10-L194 HydrophobicContact CZ-CB 3.71Å; F10-L194 HydrophobicContact CZ-CD1 4.46Å; F10-L194 HydrophobicContact CZ-CD2 3.94Å; F10-L194 HydrophobicContact CZ-CG 4.26Å
11M98.9Very high91.7Very high0 Ų054.7 Ų54.70%027%0.274CS..EExtended strand (participates in β ladder)trans-100.191.7178.6-56.2-60.4-98.600108.2L13 V35 L36 M37 F89 F92 L93 L98 F105 A106 F107 V108M11-L13 PolarHBondContact O-N 3.46Å; M11-V35 HydrophobicContact CB-CG1 3.78Å; M11-V35 HydrophobicContact CE-CG1 4.23Å; M11-V35 HydrophobicContact SD-CG1 4.46Å; M11-L36 WeakPolarHBondContact CA-O 3.38Å; M11-M37 HydrophobicContact CE-CB 4.41Å; M11-M37 HydrophobicContact CE-CG 4.44Å; M11-M37 HydrophobicContact SD-CB 3.83Å; M11-M37 HydrophobicContact SD-CG 3.7Å; M11-F89 HydrophobicContact CE-CZ 4.23Å; M11-F92 HydrophobicContact CE-CE1 3.96Å; M11-L93 HydrophobicContact CE-CD2 3.72Å; M11-L98 HydrophobicContact CE-CD1 4.18Å; M11-L98 HydrophobicContact SD-CD1 4.41Å; M11-F105 HydrophobicContact CB-CD2 4.42Å; M11-F105 HydrophobicContact CG-CB 4.04Å; M11-F105 HydrophobicContact CG-CD2 3.39Å; M11-F105 HydrophobicContact CG-CE2 4.07Å; M11-F105 HydrophobicContact CG-CG 3.89Å; M11-A106 PolarHBondContact N-O 3.05Å; M11-F107 HydrophobicContact CB-CD1 3.53Å; M11-F107 HydrophobicContact CB-CD2 4.48Å; M11-F107 HydrophobicContact CB-CE1 3.54Å; M11-F107 HydrophobicContact CB-CE2 4.49Å; M11-F107 HydrophobicContact CB-CG 4.02Å; M11-F107 HydrophobicContact CB-CZ 4.04Å; M11-F107 HydrophobicContact CG-CE1 4.4Å; M11-F107 HydrophobicContact CG-CZ 4.45Å; M11-F107 CarbonylContact O-C 3.57Å; M11-F107 VanDerWaalsContact O-CA 3.27Å; M11-F107 WeakPolarHBondContact O-CA 3.39Å; M11-F107 VanDerWaalsContact O-CD1 3.29Å; M11-F107 WeakPolarHBondContact O-CD1 3.45Å; M11-V108 PolarHBondContact O-N 3.23Å
12V98.9Very high94Very high0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-74.8124.2-179.6172.30000109.1V35 L36 I38 V108 C177 I180 A181 L184V12-V35 CarbonylContact O-C 3.57Å; V12-V35 WeakPolarHBondContact O-CA 3.48Å; V12-L36 HydrophobicContact CB-CB 4.3Å; V12-L36 PolarHBondContact N-O 2.85Å; V12-L36 PolarHBondContact O-N 3.24Å; V12-I38 HydrophobicContact CB-CD1 4.46Å; V12-I38 HydrophobicContact CG2-CD1 3.59Å; V12-V108 WeakPolarHBondContact CA-O 3.46Å; V12-V108 HydrophobicContact CG2-CB 4.23Å; V12-C177 HydrophobicContact CG1-CB 4.18Å; V12-C177 WeakPolarHBondContact CG1-O 3.38Å; V12-I180 HydrophobicContact CG1-CB 3.73Å; V12-I180 HydrophobicContact CG1-CG2 3.39Å; V12-I180 HydrophobicContact CG2-CG2 4.44Å; V12-A181 HydrophobicContact CG2-CB 4.33Å; V12-L184 HydrophobicContact CG2-CD2 3.73Å
13L98.8Very high95.4Very high0 Ų048 Ų480%024%0.243CC..EExtended strand (participates in β ladder)trans-135.5142.6-173.7173.9154000110.3M11 F15 F33 V35 F107 V108 T109 D114 L115 F134M11-L13 PolarHBondContact O-N 3.46Å; L13-F15 HydrophobicContact CD1-CD1 4.5Å; L13-F15 HydrophobicContact CD1-CE1 3.65Å; L13-F15 HydrophobicContact CD1-CE2 4.32Å; L13-F15 HydrophobicContact CD1-CZ 3.57Å; L13-F15 HydrophobicContact CD2-CD1 4.11Å; L13-F15 HydrophobicContact CD2-CD2 4.01Å; L13-F15 HydrophobicContact CD2-CE1 3.96Å; L13-F15 HydrophobicContact CD2-CE2 3.86Å; L13-F15 HydrophobicContact CD2-CG 4.14Å; L13-F15 HydrophobicContact CD2-CZ 3.86Å; L13-F15 HydrophobicContact CG-CD1 4.27Å; L13-F15 HydrophobicContact CG-CE1 3.89Å; L13-F15 HydrophobicContact CG-CZ 4.1Å; L13-F33 HydrophobicContact CD1-CE1 4.05Å; L13-F33 HydrophobicContact CD1-CZ 4.39Å; L13-V35 HydrophobicContact CB-CG2 4.26Å; L13-V35 HydrophobicContact CD1-CG2 3.9Å; L13-V35 HydrophobicContact CG-CG2 4.33Å; L13-F107 HydrophobicContact CB-CD1 3.85Å; L13-F107 HydrophobicContact CB-CE1 4.27Å; L13-F107 HydrophobicContact CD1-CD1 3.78Å; L13-F107 HydrophobicContact CD1-CE1 3.68Å; L13-F107 HydrophobicContact CG-CD1 4.48Å; L13-V108 PolarHBondContact N-O 3.12Å; L13-T109 HydrophobicContact CB-CG2 4.43Å; L13-T109 HydrophobicContact CD2-CG2 3.91Å; L13-D114 HydrophobicContact CD2-CB 3.79Å; L13-L115 HydrophobicContact CD1-CD2 4.49Å; L13-L115 HydrophobicContact CD2-CD2 4.31Å; L13-L115 HydrophobicContact CD2-CG 4.48Å; L13-F134 HydrophobicContact CD1-CE1 3.82Å
14D98.8Very high96.3Very high19 Ų1955.4 Ų55.410%0.10227%0.273CS..  trans-152.2111.2175-160.868000108.3P34 D176 C177 I180D14-P34 WeakPolarHBondContact O-CD 3.45Å; D14-P34 WeakPolarHBondContact O-CG 3.5Å; D14-D176 HydrophobicContact CB-CB 4.41Å; D14-D176 VanDerWaalsContact OD2-CB 3.24Å; D14-D176 WeakPolarHBondContact OD2-CB 3.45Å; D14-C177 PolarHBondContact N-SG 3.3Å; D14-I180 HydrophobicContact CB-CD1 3.94Å
15F98.8Very high96.6Very high10 Ų1051 Ų514%0.04425%0.245CC..  trans-88139.7-177.8-66.5-40.7000111L13 I30 F33 D114 L115 L119L13-F15 HydrophobicContact CD1-CD1 4.5Å; L13-F15 HydrophobicContact CD1-CE1 3.65Å; L13-F15 HydrophobicContact CD1-CE2 4.32Å; L13-F15 HydrophobicContact CD1-CZ 3.57Å; L13-F15 HydrophobicContact CD2-CD1 4.11Å; L13-F15 HydrophobicContact CD2-CD2 4.01Å; L13-F15 HydrophobicContact CD2-CE1 3.96Å; L13-F15 HydrophobicContact CD2-CE2 3.86Å; L13-F15 HydrophobicContact CD2-CG 4.14Å; L13-F15 HydrophobicContact CD2-CZ 3.86Å; L13-F15 HydrophobicContact CG-CD1 4.27Å; L13-F15 HydrophobicContact CG-CE1 3.89Å; L13-F15 HydrophobicContact CG-CZ 4.1Å; F15-I30 HydrophobicContact CB-CG1 4.24Å; F15-I30 HydrophobicContact CB-CG2 4.28Å; F15-I30 HydrophobicContact CD1-CD1 4.33Å; F15-I30 HydrophobicContact CD1-CG2 3.93Å; F15-I30 HydrophobicContact CD2-CD1 3.63Å; F15-I30 HydrophobicContact CD2-CG1 4.03Å; F15-I30 HydrophobicContact CE1-CD1 4.33Å; F15-I30 HydrophobicContact CE1-CG2 4.48Å; F15-I30 HydrophobicContact CE2-CD1 3.65Å; F15-I30 HydrophobicContact CG-CD1 3.99Å; F15-I30 HydrophobicContact CG-CG1 4.05Å; F15-I30 HydrophobicContact CG-CG2 4.13Å; F15-I30 HydrophobicContact CZ-CD1 3.98Å; F15-F33 HydrophobicContact CD1-CD1 4.47Å; F15-F33 HydrophobicContact CD1-CD2 4.32Å; F15-F33 HydrophobicContact CD1-CG 4.21Å; F15-F33 HydrophobicContact CE1-CB 4.36Å; F15-F33 AromaticContact CE1-CD1 3.65Å; F15-F33 HydrophobicContact CE1-CD1 3.65Å; F15-F33 AromaticContact CE1-CD2 3.51Å; F15-F33 HydrophobicContact CE1-CD2 3.51Å; F15-F33 AromaticContact CE1-CE1 3.64Å; F15-F33 HydrophobicContact CE1-CE1 3.64Å; F15-F33 AromaticContact CE1-CE2 3.49Å; F15-F33 HydrophobicContact CE1-CE2 3.49Å; F15-F33 VanDerWaalsContact CE1-CE2 3.49Å; F15-F33 AromaticContact CE1-CG 3.57Å; F15-F33 HydrophobicContact CE1-CG 3.57Å; F15-F33 AromaticContact CE1-CZ 3.54Å; F15-F33 HydrophobicContact CE1-CZ 3.54Å; F15-F33 HydrophobicContact CZ-CD2 4.1Å; F15-F33 HydrophobicContact CZ-CE1 4.14Å; F15-F33 AromaticContact CZ-CE2 3.64Å; F15-F33 HydrophobicContact CZ-CE2 3.64Å; F15-F33 AromaticContact CZ-CZ 3.64Å; F15-F33 HydrophobicContact CZ-CZ 3.64Å; F15-D114 HydrophobicContact CD2-CB 3.73Å; F15-D114 HydrophobicContact CE2-CB 4.24Å; F15-D114 HydrophobicContact CG-CB 4.47Å; F15-D114 PolarHBondContact N-OD1 2.97Å; F15-L115 HydrophobicContact CE2-CD2 4.16Å; F15-L119 HydrophobicContact CE2-CB 3.94Å
16E98.7Very high96.3Very high15 Ų1555.5 Ų55.57%0.0728%0.276CS..EExtended strand (participates in β ladder)trans-97.7143.5158.5-58-57.3157.600109.8I30 I31 E32 T69 I71 H171E16-I30 CarbonylContact O-C 3.42Å; E16-I30 WeakPolarHBondContact O-CA 3.23Å; E16-I31 HydrophobicContact CB-CG1 4.23Å; E16-I31 WeakPolarHBondContact O-CG1 3.26Å; E16-I31 PolarHBondContact O-N 3.4Å; E16-E32 HydrophobicContact CB-CB 3.84Å; E16-E32 HydrophobicContact CG-CB 4.17Å; E16-E32 PolarHBondContact N-O 2.93Å; E16-E32 PolarHBondContact O-N 3.38Å; E16-T69 HydrophobicContact CB-CG2 4.04Å; E16-T69 HydrophobicContact CG-CG2 4.23Å; E16-I71 HydrophobicContact CB-CD1 3.94Å; E16-I71 HydrophobicContact CG-CD1 4.39Å; E16-H171 WeakPolarHBondContact CG-O 3.42Å; E16-H171 VanDerWaalsContact OE1-C 3.25Å; E16-H171 WeakPolarHBondContact OE1-CA 3.3Å; E16-H171 VanDerWaalsContact OE1-O 3.12Å
17A98.7Very high96.3Very high19 Ų1951 Ų5116%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-136.6154.3-176.400000112.3C19 A28 E29 M118A17-C19 PolarHBondContact O-N 2.76Å; A17-A28 HydrophobicContact CB-CB 4.44Å; A17-E29 CarbonylContact C-O 3.55Å; A17-E29 WeakPolarHBondContact CA-O 3.49Å; A17-E29 WeakPolarHBondContact CB-O 3.11Å; A17-M118 HydrophobicContact CB-CE 4.14Å; A17-M118 HydrophobicContact CB-CG 4.32Å; A17-M118 HydrophobicContact CB-SD 3.65Å
18T98.7Very high96.3Very high7 Ų751.6 Ų51.64%0.04327%0.268CS..  trans-52.5130.9170.861.50000109.7L25 A28 E29 I31 P55 L61T18-L25 WeakPolarHBondContact OG1-CD1 3.35Å; T18-A28 WeakPolarHBondContact O-CB 3.38Å; T18-A28 WeakPolarHBondContact OG1-CA 3.17Å; T18-E29 HydrophobicContact CG2-CB 4.13Å; T18-E29 PolarHBondContact N-O 2.98Å; T18-E29 PolarHBondContact OG1-N 3.45Å; T18-I31 HydrophobicContact CG2-CG2 3.6Å; T18-P55 HydrophobicContact CG2-CB 3.91Å; T18-P55 HydrophobicContact CG2-CG 4.16Å; T18-L61 HydrophobicContact CG2-CD2 3.93Å
19C97.8Very high96.4Very high35 Ų3549.9 Ų49.924%0.23625%0.254CS..  trans-145.7168.3176.154.40000110.6A17 S62 C65A17-C19 PolarHBondContact O-N 2.76Å; C19-S62 PolarHBondContact O-OG 3.28Å; C19-C65 WeakPolarHBondContact O-CB 3.47Å
20E96.5Very high96.4Very high61 Ų6147.5 Ų47.529%0.28524%0.244SC..  trans-137.1153.7175.8-68.7-174-176.500109.8R23 L25E20-R23 IonicContact OE1-CZ 2.66Å; E20-R23 IonicContact OE1-NH2 2.77Å; E20-R23 PolarHBondContact OE1-NH2 3.43Å; E20-R23 IonicContact OE2-CZ 3.1Å; E20-R23 IonicContact OE2-NE 3.64Å; E20-R23 PolarHBondContact OE2-NE 3.35Å; E20-R23 IonicContact OE2-NH2 3.65Å; E20-R23 PolarHBondContact OE2-NH2 2.97Å; E20-L25 HydrophobicContact CG-CD1 4.49Å; E20-L25 HydrophobicContact CG-CD2 3.96Å; E20-L25 HydrophobicContact CG-CG 4.21Å; E20-L25 WeakPolarHBondContact OE1-CD2 3.18Å
21Q94.1Very high96.4Very high120 Ų12047.5 Ų47.556%0.56124%0.244SC*.SBendtrans-67.7135.6171.7-163.2178.2-2000109.6R23 F64Q21-R23 PolarHBondContact O-N 3.25Å; Q21-F64 HydrophobicContact CB-CB 3.9Å; Q21-F64 HydrophobicContact CB-CD1 4.43Å; Q21-F64 HydrophobicContact CB-CD2 3.81Å; Q21-F64 HydrophobicContact CB-CE2 4.49Å; Q21-F64 HydrophobicContact CB-CG 3.78Å; Q21-F64 HydrophobicContact CG-CD2 3.98Å; Q21-F64 HydrophobicContact CG-CE2 4.33Å; Q21-F64 HydrophobicContact CG-CG 4.44Å
22D92.8Very high96.4Very high160 Ų16047.5 Ų47.586%0.85624%0.244SC*.SBendtrans60.5-1.5173.4-53.3-41.9000117.2
23R90.9Very high96.4Very high142 Ų14247.5 Ų47.554%0.53624%0.244SC..  trans-130.7137.8177.6175.6166.479.2142.61.1111.5E20 Q21E20-R23 IonicContact OE1-CZ 2.66Å; E20-R23 IonicContact OE1-NH2 2.77Å; E20-R23 PolarHBondContact OE1-NH2 3.43Å; E20-R23 IonicContact OE2-CZ 3.1Å; E20-R23 IonicContact OE2-NE 3.64Å; E20-R23 PolarHBondContact OE2-NE 3.35Å; E20-R23 IonicContact OE2-NH2 3.65Å; E20-R23 PolarHBondContact OE2-NH2 2.97Å; Q21-R23 PolarHBondContact O-N 3.25Å
24K90.4Very high96.4Very high199 Ų19947.5 Ų47.587%0.86524%0.244SC*.  trans-85.5122.2165.5-67.6-176.8-179.5178.20109.4
25L93Very high96.4Very high23 Ų2346.6 Ų46.612%0.1224%0.239CC..  trans-60.2137168.3-69.2174.6000109.6T18 E20 V27T18-L25 WeakPolarHBondContact OG1-CD1 3.35Å; E20-L25 HydrophobicContact CG-CD1 4.49Å; E20-L25 HydrophobicContact CG-CD2 3.96Å; E20-L25 HydrophobicContact CG-CG 4.21Å; E20-L25 WeakPolarHBondContact OE1-CD2 3.18Å; L25-V27 PolarHBondContact O-N 3.29Å
26P89.5Confident96.4Very high120 Ų12046.1 Ų46.178%0.77924%0.237SC*.SBendtrans-56-37175.5-26.435000112.5
27V94.6Very high96.4Very high36 Ų3645.7 Ų45.722%0.21824%0.235CC..SBendtrans-135111.3171.2-1780000106.9L25 I57 N58 A125L25-V27 PolarHBondContact O-N 3.29Å; V27-I57 HydrophobicContact CB-CD1 4.16Å; V27-I57 HydrophobicContact CG1-CD1 3.72Å; V27-N58 PolarHBondContact O-ND2 3.29Å; V27-A125 HydrophobicContact CB-CB 4.45Å; V27-A125 HydrophobicContact CG1-CB 3.66Å; V27-A125 HydrophobicContact CG2-CB 3.91Å
28A98.1Very high96.4Very high30 Ų3044.8 Ų44.825%0.24823%0.228CC..  trans-76.3151.8163.600000109A17 T18 M118A17-A28 HydrophobicContact CB-CB 4.44Å; T18-A28 WeakPolarHBondContact O-CB 3.38Å; T18-A28 WeakPolarHBondContact OG1-CA 3.17Å; A28-M118 VanDerWaalsContact C-CE 3.46Å; A28-M118 HydrophobicContact CB-CE 3.83Å; A28-M118 HydrophobicContact CB-SD 3.98Å; A28-M118 WeakPolarHBondContact O-CE 3.29Å
29E98.7Very high96.4Very high2 Ų245.6 Ų45.61%0.00923%0.232CC..  trans-124.2132.3178.8-68.1-179.910000109.9A17 T18 I31 P55 T56 I57 N58 Q122A17-E29 CarbonylContact C-O 3.55Å; A17-E29 WeakPolarHBondContact CA-O 3.49Å; A17-E29 WeakPolarHBondContact CB-O 3.11Å; T18-E29 HydrophobicContact CG2-CB 4.13Å; T18-E29 PolarHBondContact N-O 2.98Å; T18-E29 PolarHBondContact OG1-N 3.45Å; E29-I31 PolarHBondContact O-N 3.15Å; E29-P55 HydrophobicContact CB-CB 4.01Å; E29-P55 WeakPolarHBondContact OE2-CB 3.47Å; E29-T56 PolarHBondContact OE1-N 3.11Å; E29-T56 PolarHBondContact OE1-OG1 3.03Å; E29-T56 VanDerWaalsContact OE1-OG1 3.12Å; E29-T56 PolarHBondContact OE2-N 2.78Å; E29-I57 VanDerWaalsContact CD-N 3.29Å; E29-I57 HydrophobicContact CG-CB 4.43Å; E29-I57 PolarHBondContact OE1-N 3.25Å; E29-I57 WeakPolarHBondContact OE2-CA 3.47Å; E29-I57 WeakPolarHBondContact OE2-CB 3.36Å; E29-I57 PolarHBondContact OE2-N 2.84Å; E29-N58 PolarHBondContact OE2-N 3.3Å; E29-Q122 HydrophobicContact CG-CG 4.44Å
30I98.9Very high96.4Very high0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-57.8130.3170.7-63.4162.9000108.1F15 E16 E32 F33 V53 L82 M118 L119 Q122F15-I30 HydrophobicContact CB-CG1 4.24Å; F15-I30 HydrophobicContact CB-CG2 4.28Å; F15-I30 HydrophobicContact CD1-CD1 4.33Å; F15-I30 HydrophobicContact CD1-CG2 3.93Å; F15-I30 HydrophobicContact CD2-CD1 3.63Å; F15-I30 HydrophobicContact CD2-CG1 4.03Å; F15-I30 HydrophobicContact CE1-CD1 4.33Å; F15-I30 HydrophobicContact CE1-CG2 4.48Å; F15-I30 HydrophobicContact CE2-CD1 3.65Å; F15-I30 HydrophobicContact CG-CD1 3.99Å; F15-I30 HydrophobicContact CG-CG1 4.05Å; F15-I30 HydrophobicContact CG-CG2 4.13Å; F15-I30 HydrophobicContact CZ-CD1 3.98Å; E16-I30 CarbonylContact O-C 3.42Å; E16-I30 WeakPolarHBondContact O-CA 3.23Å; I30-E32 WeakPolarHBondContact CG2-O 3.11Å; I30-F33 HydrophobicContact CG2-CB 4.49Å; I30-F33 HydrophobicContact CG2-CD2 4.46Å; I30-V53 HydrophobicContact CG2-CG2 4.13Å; I30-V53 WeakPolarHBondContact O-CB 3.34Å; I30-L82 HydrophobicContact CD1-CD1 4.22Å; I30-L82 HydrophobicContact CD1-CD2 4.33Å; I30-M118 HydrophobicContact CG1-CE 4.22Å; I30-M118 HydrophobicContact CG1-CG 3.95Å; I30-L119 HydrophobicContact CD1-CB 4.28Å; I30-L119 HydrophobicContact CD1-CD1 3.92Å; I30-Q122 VanDerWaalsContact CG1-OE1 3.3Å
31I98.8Very high96.3Very high0 Ų046.7 Ų46.70%025%0.247CC..EExtended strand (participates in β ladder)trans-121-16.4178.658.2173000112.8E16 T18 E29 Y52 V53 P55 L61 I71 V76E16-I31 HydrophobicContact CB-CG1 4.23Å; E16-I31 WeakPolarHBondContact O-CG1 3.26Å; E16-I31 PolarHBondContact O-N 3.4Å; T18-I31 HydrophobicContact CG2-CG2 3.6Å; E29-I31 PolarHBondContact O-N 3.15Å; I31-Y52 CarbonylContact O-C 3.3Å; I31-Y52 VanDerWaalsContact O-CA 3.29Å; I31-Y52 WeakPolarHBondContact O-CA 3.47Å; I31-V53 PolarHBondContact O-N 3.03Å; I31-P55 HydrophobicContact CG2-CB 4.29Å; I31-P55 HydrophobicContact CG2-CG 3.97Å; I31-L61 HydrophobicContact CD1-CD1 4.33Å; I31-L61 HydrophobicContact CD1-CD2 4.11Å; I31-L61 HydrophobicContact CG2-CD2 4.08Å; I31-I71 HydrophobicContact CD1-CB 4.36Å; I31-I71 HydrophobicContact CD1-CD1 3.77Å; I31-I71 HydrophobicContact CD1-CG2 4.39Å; I31-I71 HydrophobicContact CG1-CD1 3.83Å; I31-V76 HydrophobicContact CB-CG1 4.2Å
32E98.9Very high96.4Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-133.2132.5168.5-166.7178-178.900109.9E16 I30 P34 H50 Y52 I71 G173 I174E16-E32 HydrophobicContact CB-CB 3.84Å; E16-E32 HydrophobicContact CG-CB 4.17Å; E16-E32 PolarHBondContact N-O 2.93Å; E16-E32 PolarHBondContact O-N 3.38Å; I30-E32 WeakPolarHBondContact CG2-O 3.11Å; E32-P34 HydrophobicContact CG-CG 4.24Å; E32-H50 IonicContact OE1-CD2 3.22Å; E32-H50 IonicContact OE1-CE1 2.66Å; E32-H50 IonicContact OE1-NE2 2.87Å; E32-H50 PolarHBondContact OE1-NE2 3.22Å; E32-Y52 HydrophobicContact CB-CD1 4.15Å; E32-Y52 HydrophobicContact CB-CE1 4.21Å; E32-Y52 HydrophobicContact CG-CD1 4.03Å; E32-Y52 HydrophobicContact CG-CE1 3.78Å; E32-I71 HydrophobicContact CB-CD1 3.76Å; E32-G173 PolarHBondContact OE2-N 2.84Å; E32-I174 PolarHBondContact OE1-N 3.5Å
33F98.9Very high96.7Very high0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-126.983.2-178.9-160.7-47.2000109.8L13 F15 I30 V35 F49 H50 R51 V53 L82 V85 L86 F89 F134L13-F33 HydrophobicContact CD1-CE1 4.05Å; L13-F33 HydrophobicContact CD1-CZ 4.39Å; F15-F33 HydrophobicContact CD1-CD1 4.47Å; F15-F33 HydrophobicContact CD1-CD2 4.32Å; F15-F33 HydrophobicContact CD1-CG 4.21Å; F15-F33 HydrophobicContact CE1-CB 4.36Å; F15-F33 AromaticContact CE1-CD1 3.65Å; F15-F33 HydrophobicContact CE1-CD1 3.65Å; F15-F33 AromaticContact CE1-CD2 3.51Å; F15-F33 HydrophobicContact CE1-CD2 3.51Å; F15-F33 AromaticContact CE1-CE1 3.64Å; F15-F33 HydrophobicContact CE1-CE1 3.64Å; F15-F33 AromaticContact CE1-CE2 3.49Å; F15-F33 HydrophobicContact CE1-CE2 3.49Å; F15-F33 VanDerWaalsContact CE1-CE2 3.49Å; F15-F33 AromaticContact CE1-CG 3.57Å; F15-F33 HydrophobicContact CE1-CG 3.57Å; F15-F33 AromaticContact CE1-CZ 3.54Å; F15-F33 HydrophobicContact CE1-CZ 3.54Å; F15-F33 HydrophobicContact CZ-CD2 4.1Å; F15-F33 HydrophobicContact CZ-CE1 4.14Å; F15-F33 AromaticContact CZ-CE2 3.64Å; F15-F33 HydrophobicContact CZ-CE2 3.64Å; F15-F33 AromaticContact CZ-CZ 3.64Å; F15-F33 HydrophobicContact CZ-CZ 3.64Å; I30-F33 HydrophobicContact CG2-CB 4.49Å; I30-F33 HydrophobicContact CG2-CD2 4.46Å; F33-V35 HydrophobicContact CD1-CG2 4.03Å; F33-V35 HydrophobicContact CE1-CG2 3.67Å; F33-F49 HydrophobicContact CB-CE1 4.39Å; F33-F49 AromaticContact CD1-CD1 3.92Å; F33-F49 HydrophobicContact CD1-CD1 3.92Å; F33-F49 AromaticContact CD1-CE1 3.67Å; F33-F49 HydrophobicContact CD1-CE1 3.67Å; F33-F49 HydrophobicContact CE1-CD1 4.43Å; F33-F49 HydrophobicContact CE1-CE1 4.24Å; F33-F49 HydrophobicContact CG-CE1 4.09Å; F33-F49 WeakPolarHBondContact O-CD1 3.44Å; F33-H50 WeakPolarHBondContact O-CA 3.16Å; F33-R51 PolarHBondContact N-O 2.88Å; F33-R51 PolarHBondContact O-N 3.28Å; F33-R51 VanDerWaalsContact O-N 3.08Å; F33-V53 HydrophobicContact CB-CG2 3.97Å; F33-L82 HydrophobicContact CD2-CD1 4.22Å; F33-L82 HydrophobicContact CE2-CD1 4.3Å; F33-V85 HydrophobicContact CB-CG1 4.18Å; F33-V85 HydrophobicContact CD2-CG1 3.87Å; F33-V85 HydrophobicContact CG-CG1 4.11Å; F33-L86 HydrophobicContact CE2-CD2 3.97Å; F33-L86 HydrophobicContact CZ-CD2 4.4Å; F33-F89 HydrophobicContact CE1-CD2 4.24Å; F33-F89 HydrophobicContact CE1-CE2 4.47Å; F33-F134 HydrophobicContact CE1-CZ 4.29Å; F33-F134 HydrophobicContact CZ-CE1 4.26Å; F33-F134 HydrophobicContact CZ-CE2 4.24Å; F33-F134 AromaticContact CZ-CZ 3.57Å; F33-F134 HydrophobicContact CZ-CZ 3.57Å
34P98.8Very high97Very high0 Ų036.6 Ų36.60%021%0.206CC..EExtended strand (participates in β ladder)trans-95.3140.5172.125.7-11.3000111.8D14 E32 F49 G173 I174D14-P34 WeakPolarHBondContact O-CD 3.45Å; D14-P34 WeakPolarHBondContact O-CG 3.5Å; E32-P34 HydrophobicContact CG-CG 4.24Å; P34-F49 CarbonylContact C-O 3.53Å; P34-F49 WeakPolarHBondContact CA-O 3.48Å; P34-G173 WeakPolarHBondContact CG-O 3.23Å; P34-I174 HydrophobicContact CB-CB 4.12Å; P34-I174 HydrophobicContact CB-CD1 3.91Å
35V98.9Very high97.4Very high0 Ų029.3 Ų29.30%018%0.178CC..EExtended strand (participates in β ladder)trans-140.5126.4168.7-175.20000110.1M11 V12 L13 F33 F49 F89 F107M11-V35 HydrophobicContact CB-CG1 3.78Å; M11-V35 HydrophobicContact CE-CG1 4.23Å; M11-V35 HydrophobicContact SD-CG1 4.46Å; V12-V35 CarbonylContact O-C 3.57Å; V12-V35 WeakPolarHBondContact O-CA 3.48Å; L13-V35 HydrophobicContact CB-CG2 4.26Å; L13-V35 HydrophobicContact CD1-CG2 3.9Å; L13-V35 HydrophobicContact CG-CG2 4.33Å; F33-V35 HydrophobicContact CD1-CG2 4.03Å; F33-V35 HydrophobicContact CE1-CG2 3.67Å; V35-F49 HydrophobicContact CB-CB 4.21Å; V35-F49 PolarHBondContact N-O 2.79Å; V35-F49 PolarHBondContact O-N 3.3Å; V35-F89 HydrophobicContact CB-CE2 4.1Å; V35-F89 HydrophobicContact CG1-CE2 4.37Å; V35-F89 HydrophobicContact CG1-CZ 4.48Å; V35-F89 HydrophobicContact CG2-CE2 3.77Å; V35-F89 HydrophobicContact CG2-CZ 4.2Å; V35-F107 HydrophobicContact CG1-CE1 4.02Å; V35-F107 HydrophobicContact CG2-CE1 4.12Å
36L98.9Very high97.7Very high0 Ų032.7 Ų32.70%019%0.193CC..EExtended strand (participates in β ladder)trans-99.5121.9169.1-53180000109.8M11 V12 I38 T45 V48 I174 C177 H178 A181M11-L36 WeakPolarHBondContact CA-O 3.38Å; V12-L36 HydrophobicContact CB-CB 4.3Å; V12-L36 PolarHBondContact N-O 2.85Å; V12-L36 PolarHBondContact O-N 3.24Å; L36-I38 HydrophobicContact CB-CG1 4.48Å; L36-I38 PolarHBondContact O-N 3.07Å; L36-T45 HydrophobicContact CB-CG2 4.34Å; L36-T45 HydrophobicContact CD2-CG2 4.47Å; L36-V48 HydrophobicContact CD2-CB 4.23Å; L36-V48 HydrophobicContact CD2-CG1 3.81Å; L36-V48 HydrophobicContact CD2-CG2 3.63Å; L36-I174 HydrophobicContact CD2-CD1 3.91Å; L36-C177 HydrophobicContact CD1-CB 3.92Å; L36-C177 WeakPolarHBondContact CD1-O 3.49Å; L36-C177 HydrophobicContact CG-CB 3.95Å; L36-H178 HydrophobicContact CD1-CB 4.45Å; L36-A181 HydrophobicContact CD1-CB 4Å
37M98.8Very high98.1Very high6 Ų627.8 Ų27.83%0.0316%0.163CC..EExtended strand (participates in β ladder)trans-86.6109.2173.7-177179.290.600109.5Y9 M11 T45 E46 A47 N96 L98Y9-M37 HydrophobicContact CD1-CE 4.36Å; Y9-M37 HydrophobicContact CD1-CG 3.78Å; Y9-M37 HydrophobicContact CD1-SD 4.27Å; Y9-M37 HydrophobicContact CE1-CE 4.07Å; Y9-M37 HydrophobicContact CE1-CG 4.42Å; Y9-M37 HydrophobicContact CE1-SD 4.45Å; Y9-M37 HydrophobicContact CG-CG 4.3Å; M11-M37 HydrophobicContact CE-CB 4.41Å; M11-M37 HydrophobicContact CE-CG 4.44Å; M11-M37 HydrophobicContact SD-CB 3.83Å; M11-M37 HydrophobicContact SD-CG 3.7Å; M37-T45 CarbonylContact O-C 3.47Å; M37-T45 WeakPolarHBondContact O-CA 3.34Å; M37-E46 HydrophobicContact CE-CB 3.61Å; M37-E46 PolarHBondContact O-N 3.19Å; M37-A47 HydrophobicContact CB-CB 4.08Å; M37-A47 WeakPolarHBondContact CB-O 3.34Å; M37-A47 HydrophobicContact CE-CB 3.65Å; M37-A47 PolarHBondContact N-O 2.97Å; M37-A47 HydrophobicContact SD-CB 4.14Å; M37-N96 HydrophobicContact SD-CB 4.15Å; M37-L98 HydrophobicContact CG-CD1 4.38Å; M37-L98 HydrophobicContact SD-CD1 3.54Å; M37-L98 VanDerWaalsContact SD-CD1 3.54Å
38I98.8Very high98.3Very high0 Ų029.6 Ų29.60%017%0.174CC..EExtended strand (participates in β ladder)trans-108124-177.9-59.1174.9000109.4Y9 F10 V12 L36 A40 Q44 A181 L184Y9-I38 CarbonylContact C-O 3.56Å; Y9-I38 VanDerWaalsContact CA-O 3.23Å; Y9-I38 WeakPolarHBondContact CA-O 3.47Å; F10-I38 HydrophobicContact CB-CB 4.45Å; F10-I38 PolarHBondContact N-O 3.13Å; F10-I38 PolarHBondContact O-N 3.5Å; V12-I38 HydrophobicContact CB-CD1 4.46Å; V12-I38 HydrophobicContact CG2-CD1 3.59Å; L36-I38 HydrophobicContact CB-CG1 4.48Å; L36-I38 PolarHBondContact O-N 3.07Å; I38-A40 PolarHBondContact O-N 3.32Å; I38-Q44 WeakPolarHBondContact CA-O 3.49Å; I38-A181 HydrophobicContact CD1-CB 3.47Å; I38-A181 VanDerWaalsContact CD1-CB 3.47Å; I38-L184 HydrophobicContact CD1-CD2 4.08Å
39N98.3Very high98.3Very high24 Ų2428.4 Ų28.413%0.12816%0.163CC..EExtended strand (participates in β ladder)trans-71.2122.2172.9177.8-44.1000110.1Y9 S41 T42 L43 Q44 E46Y9-N39 HydrophobicContact CD1-CB 4.18Å; Y9-N39 HydrophobicContact CE1-CB 3.98Å; N39-S41 PolarHBondContact O-N 3.01Å; N39-S41 WeakPolarHBondContact OD1-CA 3.24Å; N39-S41 WeakPolarHBondContact OD1-CB 3.39Å; N39-S41 PolarHBondContact OD1-N 2.92Å; N39-T42 WeakPolarHBondContact CB-OG1 3.36Å; N39-T42 PolarHBondContact O-N 3.26Å; N39-T42 PolarHBondContact OD1-N 2.85Å; N39-T42 VanDerWaalsContact OD1-N 3.09Å; N39-L43 WeakPolarHBondContact O-CA 3.32Å; N39-L43 PolarHBondContact O-N 2.85Å; N39-Q44 PolarHBondContact N-O 3.3Å; N39-E46 VanDerWaalsContact CB-CD 3.47Å; N39-E46 HydrophobicContact CB-CG 4.02Å; N39-E46 WeakPolarHBondContact CB-OE1 3.48Å; N39-E46 PolarHBondContact ND2-OE1 3.16Å
40A97.3Very high98.3Very high6 Ų630.8 Ų30.85%0.0517%0.174CC..THydrogen-bonded Turntrans-67.8-21-173.200000113.6Q5 F7 A8 F10 I38Q5-A40 HydrophobicContact CB-CB 3.87Å; Q5-A40 HydrophobicContact CG-CB 4.07Å; F7-A40 WeakPolarHBondContact O-CB 3.5Å; A8-A40 VanDerWaalsContact O-CB 3.26Å; A8-A40 WeakPolarHBondContact O-CB 3.48Å; A8-A40 PolarHBondContact O-N 2.99Å; F10-A40 HydrophobicContact CD2-CB 3.98Å; F10-A40 HydrophobicContact CE2-CB 3.59Å; F10-A40 HydrophobicContact CZ-CB 4.27Å; I38-A40 PolarHBondContact O-N 3.32Å
41S95.7Very high98.3Very high112 Ų11235.6 Ų35.678%0.78319%0.193SC*.THydrogen-bonded Turntrans-89.1-41.3178.4-65.50000113N39N39-S41 PolarHBondContact O-N 3.01Å; N39-S41 WeakPolarHBondContact OD1-CA 3.24Å; N39-S41 WeakPolarHBondContact OD1-CB 3.39Å; N39-S41 PolarHBondContact OD1-N 2.92Å
42T96.4Very high98.3Very high70 Ų7038 Ų3843%0.42920%0.202SC..THydrogen-bonded Turntrans-93.6-18-177.268.30000112.7N39 Q44N39-T42 WeakPolarHBondContact CB-OG1 3.36Å; N39-T42 PolarHBondContact O-N 3.26Å; N39-T42 PolarHBondContact OD1-N 2.85Å; N39-T42 VanDerWaalsContact OD1-N 3.09Å; T42-Q44 PolarHBondContact O-N 3.38Å; T42-Q44 PolarHBondContact OG1-N 2.85Å
43L97.2Very high98.3Very high23 Ų2338.1 Ų38.112%0.1220%0.203CC..  trans59.314.7-172.6-57.4-177.7000114.1N39 R185 I188 R189N39-L43 WeakPolarHBondContact O-CA 3.32Å; N39-L43 PolarHBondContact O-N 2.85Å; L43-R185 HydrophobicContact CB-CG 4.22Å; L43-R185 PolarHBondContact O-NE 2.99Å; L43-I188 HydrophobicContact CD1-CB 4.41Å; L43-I188 HydrophobicContact CD1-CG2 4.09Å; L43-I188 HydrophobicContact CD2-CB 4.38Å; L43-I188 HydrophobicContact CD2-CD1 3.68Å; L43-I188 HydrophobicContact CD2-CG2 4.06Å; L43-R189 HydrophobicContact CD1-CG 4.36Å
44Q98.3Very high98.3Very high118 Ų11842.8 Ų42.855%0.55122%0.22SC*.  trans-85.7146.7176.4-59.6-55.4-42.900110.8I38 N39 T42 E46I38-Q44 WeakPolarHBondContact CA-O 3.49Å; N39-Q44 PolarHBondContact N-O 3.3Å; T42-Q44 PolarHBondContact O-N 3.38Å; T42-Q44 PolarHBondContact OG1-N 2.85Å; Q44-E46 PolarHBondContact O-N 2.9Å
45T98.6Very high98.3Very high45 Ų4542.9 Ų42.928%0.27622%0.221SC..EExtended strand (participates in β ladder)trans-75117.7164.8-63.50000107.8L36 M37 A47 V48 R185L36-T45 HydrophobicContact CB-CG2 4.34Å; L36-T45 HydrophobicContact CD2-CG2 4.47Å; M37-T45 CarbonylContact O-C 3.47Å; M37-T45 WeakPolarHBondContact O-CA 3.34Å; T45-A47 WeakPolarHBondContact CG2-O 3.4Å; T45-V48 HydrophobicContact CG2-CG2 3.79Å; T45-R185 PolarHBondContact OG1-NH2 2.99Å
46E98.6Very high98.3Very high94 Ų9446.1 Ų46.144%0.43924%0.241SC..EExtended strand (participates in β ladder)trans-100.6-24.4-177.9-70.2-171.3179.400112.7Y9 M37 N39 Q44Y9-E46 WeakPolarHBondContact CE1-OE2 3.49Å; M37-E46 HydrophobicContact CE-CB 3.61Å; M37-E46 PolarHBondContact O-N 3.19Å; N39-E46 VanDerWaalsContact CB-CD 3.47Å; N39-E46 HydrophobicContact CB-CG 4.02Å; N39-E46 WeakPolarHBondContact CB-OE1 3.48Å; N39-E46 PolarHBondContact ND2-OE1 3.16Å; Q44-E46 PolarHBondContact O-N 2.9Å
47A98.6Very high98.2Very high18 Ų1849.8 Ų49.815%0.14926%0.26CS..EExtended strand (participates in β ladder)trans-151158173.300000111.1M37 T45 F92M37-A47 HydrophobicContact CB-CB 4.08Å; M37-A47 WeakPolarHBondContact CB-O 3.34Å; M37-A47 HydrophobicContact CE-CB 3.65Å; M37-A47 PolarHBondContact N-O 2.97Å; M37-A47 HydrophobicContact SD-CB 4.14Å; T45-A47 WeakPolarHBondContact CG2-O 3.4Å; A47-F92 HydrophobicContact CB-CE2 3.94Å; A47-F92 HydrophobicContact CB-CZ 3.73Å
48V98.8Very high98.1Very high74 Ų7451.3 Ų51.345%0.44827%0.268SS..EExtended strand (participates in β ladder)trans-130.5127.7177.6178.40000108.6L36 T45 H50 I174L36-V48 HydrophobicContact CD2-CB 4.23Å; L36-V48 HydrophobicContact CD2-CG1 3.81Å; L36-V48 HydrophobicContact CD2-CG2 3.63Å; T45-V48 HydrophobicContact CG2-CG2 3.79Å; V48-H50 HydrophobicContact CG1-CB 4.39Å; V48-I174 HydrophobicContact CG1-CD1 4.07Å
49F98.9Very high98Very high4 Ų454.6 Ų54.62%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-105.4129.7164.1-179.2-88.1000108F33 P34 V35 R51 V85 I88 F89 F92F33-F49 HydrophobicContact CB-CE1 4.39Å; F33-F49 AromaticContact CD1-CD1 3.92Å; F33-F49 HydrophobicContact CD1-CD1 3.92Å; F33-F49 AromaticContact CD1-CE1 3.67Å; F33-F49 HydrophobicContact CD1-CE1 3.67Å; F33-F49 HydrophobicContact CE1-CD1 4.43Å; F33-F49 HydrophobicContact CE1-CE1 4.24Å; F33-F49 HydrophobicContact CG-CE1 4.09Å; F33-F49 WeakPolarHBondContact O-CD1 3.44Å; P34-F49 CarbonylContact C-O 3.53Å; P34-F49 WeakPolarHBondContact CA-O 3.48Å; V35-F49 HydrophobicContact CB-CB 4.21Å; V35-F49 PolarHBondContact N-O 2.79Å; V35-F49 PolarHBondContact O-N 3.3Å; F49-R51 HydrophobicContact CE1-CB 4.18Å; F49-R51 HydrophobicContact CE1-CG 3.81Å; F49-R51 HydrophobicContact CE2-CG 4.2Å; F49-R51 HydrophobicContact CZ-CB 4.35Å; F49-R51 HydrophobicContact CZ-CG 3.58Å; F49-V85 HydrophobicContact CE1-CG1 4.16Å; F49-V85 HydrophobicContact CZ-CG1 4.02Å; F49-I88 HydrophobicContact CE2-CB 4.49Å; F49-I88 HydrophobicContact CE2-CG2 3.91Å; F49-I88 HydrophobicContact CZ-CG2 4.4Å; F49-F89 HydrophobicContact CB-CD2 4.3Å; F49-F89 HydrophobicContact CB-CE2 4.22Å; F49-F89 AromaticContact CD1-CD2 3.71Å; F49-F89 HydrophobicContact CD1-CD2 3.71Å; F49-F89 HydrophobicContact CD1-CE2 4.22Å; F49-F89 AromaticContact CD2-CD2 3.79Å; F49-F89 HydrophobicContact CD2-CD2 3.79Å; F49-F89 HydrophobicContact CD2-CE2 4.48Å; F49-F89 HydrophobicContact CE1-CB 4.43Å; F49-F89 AromaticContact CE1-CD2 3.86Å; F49-F89 HydrophobicContact CE1-CD2 3.86Å; F49-F89 HydrophobicContact CE2-CB 4.09Å; F49-F89 AromaticContact CE2-CD2 3.92Å; F49-F89 HydrophobicContact CE2-CD2 3.92Å; F49-F89 AromaticContact CG-CD2 3.67Å; F49-F89 HydrophobicContact CG-CD2 3.67Å; F49-F89 HydrophobicContact CG-CE2 4.07Å; F49-F89 HydrophobicContact CZ-CB 3.91Å; F49-F89 AromaticContact CZ-CD2 3.95Å; F49-F89 HydrophobicContact CZ-CD2 3.95Å; F49-F89 HydrophobicContact CZ-CG 4.44Å; F49-F92 HydrophobicContact CB-CD1 4.21Å; F49-F92 HydrophobicContact CB-CD2 4.24Å; F49-F92 HydrophobicContact CB-CE1 4.13Å; F49-F92 HydrophobicContact CB-CE2 4.16Å; F49-F92 HydrophobicContact CB-CG 4.27Å; F49-F92 HydrophobicContact CB-CZ 4.1Å; F49-F92 HydrophobicContact CD2-CB 3.85Å; F49-F92 HydrophobicContact CD2-CD1 4.38Å; F49-F92 HydrophobicContact CD2-CD2 4.14Å; F49-F92 AromaticContact CD2-CG 3.87Å; F49-F92 HydrophobicContact CD2-CG 3.87Å; F49-F92 HydrophobicContact CE2-CB 4.3Å
50H98.8Very high98Very high52 Ų5259 Ų5924%0.24132%0.317CS..EExtended strand (participates in β ladder)trans-149.9120.9177-179.5-139.9000109.6E32 F33 V48 I174E32-H50 IonicContact OE1-CD2 3.22Å; E32-H50 IonicContact OE1-CE1 2.66Å; E32-H50 IonicContact OE1-NE2 2.87Å; E32-H50 PolarHBondContact OE1-NE2 3.22Å; F33-H50 WeakPolarHBondContact O-CA 3.16Å; V48-H50 HydrophobicContact CG1-CB 4.39Å; H50-I174 HydrophobicContact CB-CD1 4.49Å
51R98.8Very high98Very high101 Ų10159.3 Ų59.338%0.38132%0.317SS..EExtended strand (participates in β ladder)trans-139136.8177.1-67-64.4-178.9-86.3-0.3109.4F33 F49 V85F33-R51 PolarHBondContact N-O 2.88Å; F33-R51 PolarHBondContact O-N 3.28Å; F33-R51 VanDerWaalsContact O-N 3.08Å; F49-R51 HydrophobicContact CE1-CB 4.18Å; F49-R51 HydrophobicContact CE1-CG 3.81Å; F49-R51 HydrophobicContact CE2-CG 4.2Å; F49-R51 HydrophobicContact CZ-CB 4.35Å; F49-R51 HydrophobicContact CZ-CG 3.58Å; R51-V85 HydrophobicContact CB-CG1 4.09Å; R51-V85 HydrophobicContact CB-CG2 4.44Å; R51-V85 HydrophobicContact CG-CG1 4.41Å
52Y98.9Very high98.2Very high52 Ų5255.3 Ų55.320%0.20429%0.29CS..EExtended strand (participates in β ladder)trans-75.4153.4155.3-66-64.8000108.9I31 E32 I71 M75I31-Y52 CarbonylContact O-C 3.3Å; I31-Y52 VanDerWaalsContact O-CA 3.29Å; I31-Y52 WeakPolarHBondContact O-CA 3.47Å; E32-Y52 HydrophobicContact CB-CD1 4.15Å; E32-Y52 HydrophobicContact CB-CE1 4.21Å; E32-Y52 HydrophobicContact CG-CD1 4.03Å; E32-Y52 HydrophobicContact CG-CE1 3.78Å; Y52-I71 HydrophobicContact CD1-CD1 4.32Å; Y52-I71 HydrophobicContact CD1-CG1 4.49Å; Y52-I71 HydrophobicContact CD1-CG2 4.32Å; Y52-I71 HydrophobicContact CE1-CD1 4.07Å; Y52-I71 HydrophobicContact CE1-CG1 3.96Å; Y52-I71 HydrophobicContact CE1-CG2 4.42Å; Y52-M75 WeakPolarHBondContact CB-O 3.44Å; Y52-M75 HydrophobicContact CD1-CE 4.46Å; Y52-M75 HydrophobicContact CD2-CB 4.46Å; Y52-M75 HydrophobicContact CD2-CE 4.32Å; Y52-M75 HydrophobicContact CE1-CE 3.67Å; Y52-M75 HydrophobicContact CE2-CE 3.49Å; Y52-M75 VanDerWaalsContact CE2-CE 3.49Å; Y52-M75 WeakPolarHBondContact OH-CE 3.3Å
53V98.9Very high98.2Very high1 Ų158.9 Ų58.91%0.00631%0.306CS..  trans-126.9130-175.5-169.90000108.1I30 I31 F33 P55 P80 L82 V85I30-V53 HydrophobicContact CG2-CG2 4.13Å; I30-V53 WeakPolarHBondContact O-CB 3.34Å; I31-V53 PolarHBondContact O-N 3.03Å; F33-V53 HydrophobicContact CB-CG2 3.97Å; V53-P55 VanDerWaalsContact O-CD 3.28Å; V53-P55 WeakPolarHBondContact O-CD 3.08Å; V53-P80 WeakPolarHBondContact CA-O 3.45Å; V53-L82 HydrophobicContact CG1-CB 3.95Å; V53-L82 VanDerWaalsContact CG1-N 3.35Å; V53-V85 HydrophobicContact CG1-CG2 4.21Å; V53-V85 HydrophobicContact CG2-CB 4.45Å; V53-V85 HydrophobicContact CG2-CG1 4.25Å; V53-V85 HydrophobicContact CG2-CG2 4.07Å
54R98.8Very high98.3Very high98 Ų9861 Ų6137%0.3732%0.315SS..  trans-76.9118.4177.5-174.8179.267.1-137.8-6.4110.2V76 D77 Q79 P80R54-V76 VanDerWaalsContact CB-O 3.25Å; R54-V76 WeakPolarHBondContact CB-O 3.38Å; R54-V76 WeakPolarHBondContact CG-O 3.27Å; R54-D77 WeakPolarHBondContact CD-O 3.39Å; R54-Q79 HydrophobicContact CB-CB 4.28Å; R54-Q79 WeakPolarHBondContact CB-O 3.29Å; R54-Q79 PolarHBondContact NH1-O 3.25Å; R54-Q79 VanDerWaalsContact NH1-O 3.13Å; R54-P80 PolarHBondContact N-O 3.17Å
55P98.7Very high98.3Very high3 Ų355.4 Ų55.42%0.01929%0.288CS..  trans-69.6142.4171.425.3-26000110.6T18 E29 I31 V53 N58 L61T18-P55 HydrophobicContact CG2-CB 3.91Å; T18-P55 HydrophobicContact CG2-CG 4.16Å; E29-P55 HydrophobicContact CB-CB 4.01Å; E29-P55 WeakPolarHBondContact OE2-CB 3.47Å; I31-P55 HydrophobicContact CG2-CB 4.29Å; I31-P55 HydrophobicContact CG2-CG 3.97Å; V53-P55 VanDerWaalsContact O-CD 3.28Å; V53-P55 WeakPolarHBondContact O-CD 3.08Å; P55-N58 WeakPolarHBondContact CB-O 3.42Å; P55-L61 HydrophobicContact CG-CD2 4.18Å
56T98Very high98.3Very high68 Ų6855 Ų5542%0.41729%0.285SS..SBendtrans-117.4-20.8-174.757.80000113.3E29 D81E29-T56 PolarHBondContact OE1-N 3.11Å; E29-T56 PolarHBondContact OE1-OG1 3.03Å; E29-T56 VanDerWaalsContact OE1-OG1 3.12Å; E29-T56 PolarHBondContact OE2-N 2.78Å; T56-D81 HydrophobicContact CG2-CB 4.03Å
57I96.8Very high98.2Very high77 Ų7757.5 Ų57.540%0.39530%0.297SS..SBendtrans-94.9-44.4178.1-58.6169.6000110V27 E29 P59 A125V27-I57 HydrophobicContact CB-CD1 4.16Å; V27-I57 HydrophobicContact CG1-CD1 3.72Å; E29-I57 VanDerWaalsContact CD-N 3.29Å; E29-I57 HydrophobicContact CG-CB 4.43Å; E29-I57 PolarHBondContact OE1-N 3.25Å; E29-I57 WeakPolarHBondContact OE2-CA 3.47Å; E29-I57 WeakPolarHBondContact OE2-CB 3.36Å; E29-I57 PolarHBondContact OE2-N 2.84Å; I57-P59 VanDerWaalsContact C-CD 3.48Å; I57-P59 WeakPolarHBondContact O-CD 3.4Å; I57-A125 HydrophobicContact CD1-CB 4.16Å
58N96.4Very high98.2Very high37 Ų3759.2 Ų59.220%0.19830%0.304CS..SBendtrans-121.371.9175.7-42.8-86.2000109V27 E29 P55 V60V27-N58 PolarHBondContact O-ND2 3.29Å; E29-N58 PolarHBondContact OE2-N 3.3Å; P55-N58 WeakPolarHBondContact CB-O 3.42Å; N58-V60 PolarHBondContact O-N 3.06Å
59P97.3Very high98.2Very high69 Ų6955.8 Ų55.845%0.44828%0.283SS..  trans-66.5-24.3-169.925.7-35.1000113.9I57 Q73I57-P59 VanDerWaalsContact C-CD 3.48Å; I57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-Q73 PolarHBondContact O-NE2 2.81Å
60V98.1Very high98.2Very high117 Ų11757.3 Ų57.371%0.70930%0.299SS*.SBendtrans-94.1116.9179.4-176.70000109.2N58N58-V60 PolarHBondContact O-N 3.06Å
61L98.4Very high98.1Very high12 Ų1254.9 Ų54.96%0.06329%0.289CS..PPolyproline II helixtrans-68.4137.8175-55.5-172.9000109.7T18 I31 P55 I71 V76T18-L61 HydrophobicContact CG2-CD2 3.93Å; I31-L61 HydrophobicContact CD1-CD1 4.33Å; I31-L61 HydrophobicContact CD1-CD2 4.11Å; I31-L61 HydrophobicContact CG2-CD2 4.08Å; P55-L61 HydrophobicContact CG-CD2 4.18Å; L61-I71 HydrophobicContact CD1-CG2 3.99Å; L61-V76 HydrophobicContact CD1-CG1 4.44Å; L61-V76 HydrophobicContact CD1-CG2 3.99Å; L61-V76 HydrophobicContact CD2-CG2 4.45Å; L61-V76 HydrophobicContact CG-CG2 4.17Å
62S98.1Very high98.1Very high29 Ų2954.1 Ų54.120%0.20329%0.291CS..PPolyproline II helixtrans-72.5156.3172.374.90000111C19 F64 C65 T66C19-S62 PolarHBondContact O-OG 3.28Å; S62-F64 PolarHBondContact O-N 3Å; S62-C65 PolarHBondContact O-N 3.29Å; S62-C65 VanDerWaalsContact O-N 3.14Å; S62-C65 WeakPolarHBondContact OG-CB 3.46Å; S62-C65 PolarHBondContact OG-N 3.48Å; S62-T66 PolarHBondContact O-N 3.11Å; S62-T66 PolarHBondContact O-OG1 3.03Å; S62-T66 VanDerWaalsContact O-OG1 3.09Å
63D98Very high98.1Very high144 Ų14454 Ų5477%0.7729%0.293SS*.Hα-helixtrans-56.3-39.5172.6-66.2-21.6000110.9T66 E67D63-T66 PolarHBondContact O-N 2.99Å; D63-E67 WeakPolarHBondContact O-CB 3.48Å; D63-E67 PolarHBondContact O-N 2.96Å
64F98.2Very high98.1Very high69 Ų6957.7 Ų57.730%0.30332%0.318SS..Hα-helixtrans-63-44176.5179-96.5000112.7Q21 S62 T66 E67 L68Q21-F64 HydrophobicContact CB-CB 3.9Å; Q21-F64 HydrophobicContact CB-CD1 4.43Å; Q21-F64 HydrophobicContact CB-CD2 3.81Å; Q21-F64 HydrophobicContact CB-CE2 4.49Å; Q21-F64 HydrophobicContact CB-CG 3.78Å; Q21-F64 HydrophobicContact CG-CD2 3.98Å; Q21-F64 HydrophobicContact CG-CE2 4.33Å; Q21-F64 HydrophobicContact CG-CG 4.44Å; S62-F64 PolarHBondContact O-N 3Å; F64-T66 VanDerWaalsContact C-N 3.31Å; F64-T66 PolarHBondContact O-N 3.12Å; F64-E67 PolarHBondContact O-N 3.38Å; F64-L68 HydrophobicContact CE1-CD2 4.1Å; F64-L68 HydrophobicContact CZ-CD2 4.43Å; F64-L68 VanDerWaalsContact O-CB 3.25Å; F64-L68 WeakPolarHBondContact O-CB 3.48Å; F64-L68 PolarHBondContact O-N 3.36Å
65C98.3Very high98.1Very high0 Ų055.5 Ų55.50%031%0.313CS..Hα-helixtrans-63.4-41.8177.2-177.30000111.2C19 S62 L68 T69C19-C65 WeakPolarHBondContact O-CB 3.47Å; S62-C65 PolarHBondContact O-N 3.29Å; S62-C65 VanDerWaalsContact O-N 3.14Å; S62-C65 WeakPolarHBondContact OG-CB 3.46Å; S62-C65 PolarHBondContact OG-N 3.48Å; C65-L68 PolarHBondContact O-N 3.4Å; C65-T69 WeakPolarHBondContact O-CB 3.46Å; C65-T69 WeakPolarHBondContact O-CG2 3.47Å; C65-T69 PolarHBondContact O-N 2.86Å; C65-T69 PolarHBondContact O-OG1 2.88Å
66T98.4Very high98.1Very high35 Ų3555.4 Ų55.422%0.21531%0.312CS..Hα-helixtrans-63.7-44.9175.9-57.50000111.3S62 D63 F64 G70 I71 I72S62-T66 PolarHBondContact O-N 3.11Å; S62-T66 PolarHBondContact O-OG1 3.03Å; S62-T66 VanDerWaalsContact O-OG1 3.09Å; D63-T66 PolarHBondContact O-N 2.99Å; F64-T66 VanDerWaalsContact C-N 3.31Å; F64-T66 PolarHBondContact O-N 3.12Å; T66-G70 WeakPolarHBondContact O-CA 3.32Å; T66-G70 PolarHBondContact O-N 3.44Å; T66-I71 WeakPolarHBondContact CA-O 3.38Å; T66-I71 WeakPolarHBondContact CG2-O 3.44Å; T66-I71 PolarHBondContact OG1-O 3.26Å; T66-I72 HydrophobicContact CG2-CB 4.44Å; T66-I72 HydrophobicContact CG2-CG2 3.7Å
67E98.2Very high98.1Very high147 Ų14755.6 Ų55.669%0.68731%0.311SS*.Hα-helixtrans-66.1-40.6177.9-176.9178.7-179.200112D63 F64 R169D63-E67 WeakPolarHBondContact O-CB 3.48Å; D63-E67 PolarHBondContact O-N 2.96Å; F64-E67 PolarHBondContact O-N 3.38Å; E67-R169 PolarHBondContact O-NH2 2.94Å
68L98.1Very high98.1Very high55 Ų5559.1 Ų59.129%0.28833%0.33SS..Hα-helixtrans-66-57.6178.7-175.665.2000109.9F64 C65 R169 H171F64-L68 HydrophobicContact CE1-CD2 4.1Å; F64-L68 HydrophobicContact CZ-CD2 4.43Å; F64-L68 VanDerWaalsContact O-CB 3.25Å; F64-L68 WeakPolarHBondContact O-CB 3.48Å; F64-L68 PolarHBondContact O-N 3.36Å; C65-L68 PolarHBondContact O-N 3.4Å; L68-R169 PolarHBondContact O-NH2 2.85Å; L68-H171 HydrophobicContact CD1-CB 4.47Å; L68-H171 WeakPolarHBondContact CD1-CD2 3.25Å; L68-H171 HydrophobicContact CG-CB 4.23Å; L68-H171 WeakPolarHBondContact O-CB 3.44Å
69T98.3Very high98.3Very high2 Ų260 Ų601%0.01233%0.333CS..Hα-helixtrans-86.5-24.6-168.465.50000114E16 C65 I71 H171E16-T69 HydrophobicContact CB-CG2 4.04Å; E16-T69 HydrophobicContact CG-CG2 4.23Å; C65-T69 WeakPolarHBondContact O-CB 3.46Å; C65-T69 WeakPolarHBondContact O-CG2 3.47Å; C65-T69 PolarHBondContact O-N 2.86Å; C65-T69 PolarHBondContact O-OG1 2.88Å; T69-I71 WeakPolarHBondContact OG1-CB 3.5Å; T69-I71 PolarHBondContact OG1-N 2.9Å; T69-I71 VanDerWaalsContact OG1-N 3.12Å; T69-H171 CarbonylContact C-O 3.59Å; T69-H171 WeakPolarHBondContact CA-O 3.43Å; T69-H171 WeakPolarHBondContact CB-O 3.43Å
70G98Very high98.3Very high35 Ų3558.5 Ų58.536%0.36132%0.323SS..  trans78.22.5-167.900000114.2T66T66-G70 WeakPolarHBondContact O-CA 3.32Å; T66-G70 PolarHBondContact O-N 3.44Å
71I98.6Very high98.3Very high2 Ų255 Ų551%0.0130%0.3CS..  trans-84.8116.7178.4-56.6169000108.9E16 I31 E32 Y52 L61 T66 T69 M75 V76E16-I71 HydrophobicContact CB-CD1 3.94Å; E16-I71 HydrophobicContact CG-CD1 4.39Å; I31-I71 HydrophobicContact CD1-CB 4.36Å; I31-I71 HydrophobicContact CD1-CD1 3.77Å; I31-I71 HydrophobicContact CD1-CG2 4.39Å; I31-I71 HydrophobicContact CG1-CD1 3.83Å; E32-I71 HydrophobicContact CB-CD1 3.76Å; Y52-I71 HydrophobicContact CD1-CD1 4.32Å; Y52-I71 HydrophobicContact CD1-CG1 4.49Å; Y52-I71 HydrophobicContact CD1-CG2 4.32Å; Y52-I71 HydrophobicContact CE1-CD1 4.07Å; Y52-I71 HydrophobicContact CE1-CG1 3.96Å; Y52-I71 HydrophobicContact CE1-CG2 4.42Å; L61-I71 HydrophobicContact CD1-CG2 3.99Å; T66-I71 WeakPolarHBondContact CA-O 3.38Å; T66-I71 WeakPolarHBondContact CG2-O 3.44Å; T66-I71 PolarHBondContact OG1-O 3.26Å; T69-I71 WeakPolarHBondContact OG1-CB 3.5Å; T69-I71 PolarHBondContact OG1-N 2.9Å; T69-I71 VanDerWaalsContact OG1-N 3.12Å; I71-M75 HydrophobicContact CG2-CB 4.13Å; I71-V76 HydrophobicContact CG2-CG1 3.75Å
72I98.4Very high98.4Very high84 Ų8454.5 Ų54.543%0.43130%0.298SS..  trans-92.4158.9175.263.6172.2000111.1T66 S74 M75T66-I72 HydrophobicContact CG2-CB 4.44Å; T66-I72 HydrophobicContact CG2-CG2 3.7Å; I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 VanDerWaalsContact CD1-OG 3.29Å; I72-S74 WeakPolarHBondContact CD1-OG 3.22Å; I72-S74 PolarHBondContact O-N 2.89Å; I72-M75 HydrophobicContact CG1-CG 3.68Å; I72-M75 HydrophobicContact CG1-SD 3.66Å; I72-M75 VanDerWaalsContact O-CB 3.3Å; I72-M75 WeakPolarHBondContact O-CB 3.33Å; I72-M75 PolarHBondContact O-N 3.5Å
73Q98.7Very high98.4Very high51 Ų5154.9 Ų54.924%0.23830%0.3CS..Hα-helixtrans-49.7-45.3-176.6-170.162.254.800114P59 M75 V76 D77P59-Q73 PolarHBondContact O-NE2 2.81Å; Q73-M75 PolarHBondContact O-N 2.86Å; Q73-M75 VanDerWaalsContact O-N 3.09Å; Q73-V76 VanDerWaalsContact O-CG2 3.23Å; Q73-V76 WeakPolarHBondContact O-CG2 3.2Å; Q73-V76 PolarHBondContact O-N 2.92Å; Q73-D77 WeakPolarHBondContact CG-OD1 3.42Å; Q73-D77 PolarHBondContact NE2-OD1 3.22Å; Q73-D77 VanDerWaalsContact O-CG 3.3Å; Q73-D77 PolarHBondContact O-N 3.46Å; Q73-D77 VanDerWaalsContact O-N 3.09Å
74S98.4Very high98.4Very high78 Ų7850.7 Ų50.755%0.54528%0.28SS..Hα-helixtrans-65.7-15.2-178.758.80000114.2I72 V76I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 VanDerWaalsContact CD1-OG 3.29Å; I72-S74 WeakPolarHBondContact CD1-OG 3.22Å; I72-S74 PolarHBondContact O-N 2.89Å; S74-V76 VanDerWaalsContact C-N 3.34Å
75M98.6Very high98.5Very high52 Ų5247.4 Ų47.426%0.25627%0.265SS..Hα-helixtrans-77.4-22.5174.9-64.7169.863.800112.2Y52 I71 I72 Q73 Q79Y52-M75 WeakPolarHBondContact CB-O 3.44Å; Y52-M75 HydrophobicContact CD1-CE 4.46Å; Y52-M75 HydrophobicContact CD2-CB 4.46Å; Y52-M75 HydrophobicContact CD2-CE 4.32Å; Y52-M75 HydrophobicContact CE1-CE 3.67Å; Y52-M75 HydrophobicContact CE2-CE 3.49Å; Y52-M75 VanDerWaalsContact CE2-CE 3.49Å; Y52-M75 WeakPolarHBondContact OH-CE 3.3Å; I71-M75 HydrophobicContact CG2-CB 4.13Å; I72-M75 HydrophobicContact CG1-CG 3.68Å; I72-M75 HydrophobicContact CG1-SD 3.66Å; I72-M75 VanDerWaalsContact O-CB 3.3Å; I72-M75 WeakPolarHBondContact O-CB 3.33Å; I72-M75 PolarHBondContact O-N 3.5Å; Q73-M75 PolarHBondContact O-N 2.86Å; Q73-M75 VanDerWaalsContact O-N 3.09Å; M75-Q79 WeakPolarHBondContact O-CG 3.27Å; M75-Q79 PolarHBondContact O-NE2 3.28Å
76V98.7Very high98.5Very high0 Ų047.9 Ų47.90%027%0.268CS..Hα-helixtrans-109.8-23.8-176.8-59.70000113.8I31 R54 L61 I71 Q73 S74 D78 Q79I31-V76 HydrophobicContact CB-CG1 4.2Å; R54-V76 VanDerWaalsContact CB-O 3.25Å; R54-V76 WeakPolarHBondContact CB-O 3.38Å; R54-V76 WeakPolarHBondContact CG-O 3.27Å; L61-V76 HydrophobicContact CD1-CG1 4.44Å; L61-V76 HydrophobicContact CD1-CG2 3.99Å; L61-V76 HydrophobicContact CD2-CG2 4.45Å; L61-V76 HydrophobicContact CG-CG2 4.17Å; I71-V76 HydrophobicContact CG2-CG1 3.75Å; Q73-V76 VanDerWaalsContact O-CG2 3.23Å; Q73-V76 WeakPolarHBondContact O-CG2 3.2Å; Q73-V76 PolarHBondContact O-N 2.92Å; S74-V76 VanDerWaalsContact C-N 3.34Å; V76-D78 PolarHBondContact O-N 2.8Å; V76-Q79 WeakPolarHBondContact O-CB 3.37Å; V76-Q79 PolarHBondContact O-N 3.17Å; V76-Q79 VanDerWaalsContact O-N 3.15Å
77D98.4Very high98.5Very high73 Ų7353 Ų5339%0.3929%0.287SS..THydrogen-bonded Turntrans-52.8-46.7-173.5-77.2-21.7000114.1R54 Q73R54-D77 WeakPolarHBondContact CD-O 3.39Å; Q73-D77 WeakPolarHBondContact CG-OD1 3.42Å; Q73-D77 PolarHBondContact NE2-OD1 3.22Å; Q73-D77 VanDerWaalsContact O-CG 3.3Å; Q73-D77 PolarHBondContact O-N 3.46Å; Q73-D77 VanDerWaalsContact O-N 3.09Å
78D97.5Very high98.5Very high150 Ų15048.4 Ų48.480%0.80227%0.267SS*.THydrogen-bonded Turntrans-99.914.5-175.6-67.5-43.6000113.3V76V76-D78 PolarHBondContact O-N 2.8Å
79Q98.8Very high98.6Very high57 Ų5745.8 Ų45.827%0.26625%0.253SS..SBendtrans-86.3160.7-178.3-58.5-61.7-34.500112.5R54 M75 V76R54-Q79 HydrophobicContact CB-CB 4.28Å; R54-Q79 WeakPolarHBondContact CB-O 3.29Å; R54-Q79 PolarHBondContact NH1-O 3.25Å; R54-Q79 VanDerWaalsContact NH1-O 3.13Å; M75-Q79 WeakPolarHBondContact O-CG 3.27Å; M75-Q79 PolarHBondContact O-NE2 3.28Å; V76-Q79 WeakPolarHBondContact O-CB 3.37Å; V76-Q79 PolarHBondContact O-N 3.17Å; V76-Q79 VanDerWaalsContact O-N 3.15Å
80P98.7Very high98.6Very high37 Ų3748.2 Ų48.224%0.2427%0.266CS..PPolyproline II helixtrans-65.1151169.8-14.929.3000111.5V53 R54 T84 V85 I88V53-P80 WeakPolarHBondContact CA-O 3.45Å; R54-P80 PolarHBondContact N-O 3.17Å; P80-T84 HydrophobicContact CB-CG2 3.71Å; P80-V85 HydrophobicContact CB-CG2 3.92Å; P80-V85 HydrophobicContact CG-CG2 4.46Å; P80-I88 HydrophobicContact CB-CD1 4.43Å; P80-I88 HydrophobicContact CG-CD1 4.1Å
81D98.7Very high98.6Very high42 Ų4250 Ų5023%0.22527%0.272CS..PPolyproline II helixtrans-73.6167.2171.560.918.1000111.8T56 P83 T84 V85T56-D81 HydrophobicContact CG2-CB 4.03Å; D81-P83 WeakPolarHBondContact OD1-CD 3.33Å; D81-T84 PolarHBondContact O-N 3.49Å; D81-T84 WeakPolarHBondContact OD1-CB 3.44Å; D81-T84 PolarHBondContact OD1-N 2.88Å; D81-T84 PolarHBondContact OD1-OG1 3.18Å; D81-V85 WeakPolarHBondContact O-CG2 3.42Å; D81-V85 PolarHBondContact O-N 2.9Å
82L98.8Very high98.6Very high2 Ų251.3 Ų51.31%0.0128%0.278CS..Hα-helixtrans-55.4-46.7-177179.466.9000113.4I30 F33 V53 T84 V85 L86 L119 Q122 L126I30-L82 HydrophobicContact CD1-CD1 4.22Å; I30-L82 HydrophobicContact CD1-CD2 4.33Å; F33-L82 HydrophobicContact CD2-CD1 4.22Å; F33-L82 HydrophobicContact CE2-CD1 4.3Å; V53-L82 HydrophobicContact CG1-CB 3.95Å; V53-L82 VanDerWaalsContact CG1-N 3.35Å; L82-T84 PolarHBondContact O-N 3.42Å; L82-V85 PolarHBondContact O-N 2.99Å; L82-V85 VanDerWaalsContact O-N 3.14Å; L82-L86 HydrophobicContact CD1-CD1 4.35Å; L82-L86 HydrophobicContact CD1-CD2 4.46Å; L82-L86 HydrophobicContact CD1-CG 4.06Å; L82-L86 HydrophobicContact CG-CD1 4.06Å; L82-L86 HydrophobicContact CG-CG 4.23Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 2.66Å; L82-L119 HydrophobicContact CD2-CD1 4.18Å; L82-Q122 HydrophobicContact CD2-CB 4.24Å; L82-Q122 HydrophobicContact CD2-CG 3.8Å; L82-L126 HydrophobicContact CB-CD1 4.18Å; L82-L126 HydrophobicContact CD2-CD1 4.08Å
83P98.8Very high98.6Very high37 Ų3747.3 Ų47.324%0.2426%0.258CS..Hα-helixtrans-57.3-37.4177.4-23.532.9000112.8D81 K87 L126 I128D81-P83 WeakPolarHBondContact OD1-CD 3.33Å; P83-K87 WeakPolarHBondContact O-CG 3.35Å; P83-K87 PolarHBondContact O-N 3.46Å; P83-L126 HydrophobicContact CG-CD1 4.11Å; P83-I128 HydrophobicContact CB-CD1 4.44Å; P83-I128 HydrophobicContact CG-CD1 4.19Å
84T98.8Very high98.6Very high57 Ų5748.9 Ų48.935%0.3527%0.268SS..Hα-helixtrans-71.2-43.2175.9-55.70000111.3P80 D81 L82 L86 K87 I88P80-T84 HydrophobicContact CB-CG2 3.71Å; D81-T84 PolarHBondContact O-N 3.49Å; D81-T84 WeakPolarHBondContact OD1-CB 3.44Å; D81-T84 PolarHBondContact OD1-N 2.88Å; D81-T84 PolarHBondContact OD1-OG1 3.18Å; L82-T84 PolarHBondContact O-N 3.42Å; T84-L86 VanDerWaalsContact C-N 3.31Å; T84-L86 PolarHBondContact O-N 2.95Å; T84-K87 WeakPolarHBondContact O-CB 3.46Å; T84-K87 PolarHBondContact O-N 3.46Å; T84-K87 VanDerWaalsContact O-N 3.11Å; T84-I88 HydrophobicContact CG2-CD1 4.21Å; T84-I88 WeakPolarHBondContact O-CG1 3.31Å; T84-I88 PolarHBondContact O-N 2.87Å
85V98.9Very high98.6Very high0 Ų048.9 Ų48.90%027%0.273CS..Hα-helixtrans-60.6-39.2176174.50000111.7F33 F49 R51 V53 P80 D81 L82 K87 I88 F89F33-V85 HydrophobicContact CB-CG1 4.18Å; F33-V85 HydrophobicContact CD2-CG1 3.87Å; F33-V85 HydrophobicContact CG-CG1 4.11Å; F49-V85 HydrophobicContact CE1-CG1 4.16Å; F49-V85 HydrophobicContact CZ-CG1 4.02Å; R51-V85 HydrophobicContact CB-CG1 4.09Å; R51-V85 HydrophobicContact CB-CG2 4.44Å; R51-V85 HydrophobicContact CG-CG1 4.41Å; V53-V85 HydrophobicContact CG1-CG2 4.21Å; V53-V85 HydrophobicContact CG2-CB 4.45Å; V53-V85 HydrophobicContact CG2-CG1 4.25Å; V53-V85 HydrophobicContact CG2-CG2 4.07Å; P80-V85 HydrophobicContact CB-CG2 3.92Å; P80-V85 HydrophobicContact CG-CG2 4.46Å; D81-V85 WeakPolarHBondContact O-CG2 3.42Å; D81-V85 PolarHBondContact O-N 2.9Å; L82-V85 PolarHBondContact O-N 2.99Å; L82-V85 VanDerWaalsContact O-N 3.14Å; V85-K87 VanDerWaalsContact C-N 3.34Å; V85-K87 PolarHBondContact O-N 3.24Å; V85-I88 PolarHBondContact O-N 2.87Å; V85-F89 WeakPolarHBondContact O-CB 3.46Å; V85-F89 PolarHBondContact O-N 2.78Å
86L98.8Very high98.5Very high10 Ų1048.8 Ų48.85%0.05227%0.273CS..Hα-helixtrans-62.7-37.6174.4-70.5172.5000112.4F33 L82 T84 F89 N90 I128 P131 F134F33-L86 HydrophobicContact CE2-CD2 3.97Å; F33-L86 HydrophobicContact CZ-CD2 4.4Å; L82-L86 HydrophobicContact CD1-CD1 4.35Å; L82-L86 HydrophobicContact CD1-CD2 4.46Å; L82-L86 HydrophobicContact CD1-CG 4.06Å; L82-L86 HydrophobicContact CG-CD1 4.06Å; L82-L86 HydrophobicContact CG-CG 4.23Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 2.66Å; T84-L86 VanDerWaalsContact C-N 3.31Å; T84-L86 PolarHBondContact O-N 2.95Å; L86-F89 PolarHBondContact O-N 3.48Å; L86-N90 PolarHBondContact O-N 3.49Å; L86-N90 PolarHBondContact O-ND2 2.75Å; L86-I128 HydrophobicContact CD1-CD1 3.81Å; L86-P131 HydrophobicContact CD2-CG 4.41Å; L86-F134 HydrophobicContact CD2-CE2 3.81Å
87K98.7Very high98.4Very high141 Ų14154.9 Ų54.961%0.61331%0.306SS*.Hα-helixtrans-65.8-42.1172.7-70.3171-177.5172.70111.8P83 T84 V85 F89 N90 S91P83-K87 WeakPolarHBondContact O-CG 3.35Å; P83-K87 PolarHBondContact O-N 3.46Å; T84-K87 WeakPolarHBondContact O-CB 3.46Å; T84-K87 PolarHBondContact O-N 3.46Å; T84-K87 VanDerWaalsContact O-N 3.11Å; V85-K87 VanDerWaalsContact C-N 3.34Å; V85-K87 PolarHBondContact O-N 3.24Å; K87-F89 VanDerWaalsContact C-N 3.27Å; K87-F89 PolarHBondContact O-N 3.05Å; K87-N90 WeakPolarHBondContact O-CB 3.24Å; K87-N90 PolarHBondContact O-N 3.04Å; K87-S91 PolarHBondContact O-N 3.38Å; K87-S91 VanDerWaalsContact O-N 3.08Å; K87-S91 PolarHBondContact O-OG 3.08Å
88I98.8Very high98.4Very high52 Ų5251.6 Ų51.627%0.26729%0.288SS..Hα-helixtrans-63-38.1175.4-60167.1000109.9F49 P80 T84 V85 S91 F92F49-I88 HydrophobicContact CE2-CB 4.49Å; F49-I88 HydrophobicContact CE2-CG2 3.91Å; F49-I88 HydrophobicContact CZ-CG2 4.4Å; P80-I88 HydrophobicContact CB-CD1 4.43Å; P80-I88 HydrophobicContact CG-CD1 4.1Å; T84-I88 HydrophobicContact CG2-CD1 4.21Å; T84-I88 WeakPolarHBondContact O-CG1 3.31Å; T84-I88 PolarHBondContact O-N 2.87Å; V85-I88 PolarHBondContact O-N 2.87Å; I88-S91 PolarHBondContact O-N 3.09Å; I88-F92 PolarHBondContact O-N 2.8Å
89F98.8Very high98.2Very high0 Ų047.2 Ų47.20%027%0.265CS..Hα-helixtrans-65.8-39.1175.6-169.4-103.9000112.4M11 F33 V35 F49 V85 L86 K87 S91 F92 L93 F107 Y133 F134M11-F89 HydrophobicContact CE-CZ 4.23Å; F33-F89 HydrophobicContact CE1-CD2 4.24Å; F33-F89 HydrophobicContact CE1-CE2 4.47Å; V35-F89 HydrophobicContact CB-CE2 4.1Å; V35-F89 HydrophobicContact CG1-CE2 4.37Å; V35-F89 HydrophobicContact CG1-CZ 4.48Å; V35-F89 HydrophobicContact CG2-CE2 3.77Å; V35-F89 HydrophobicContact CG2-CZ 4.2Å; F49-F89 HydrophobicContact CB-CD2 4.3Å; F49-F89 HydrophobicContact CB-CE2 4.22Å; F49-F89 AromaticContact CD1-CD2 3.71Å; F49-F89 HydrophobicContact CD1-CD2 3.71Å; F49-F89 HydrophobicContact CD1-CE2 4.22Å; F49-F89 AromaticContact CD2-CD2 3.79Å; F49-F89 HydrophobicContact CD2-CD2 3.79Å; F49-F89 HydrophobicContact CD2-CE2 4.48Å; F49-F89 HydrophobicContact CE1-CB 4.43Å; F49-F89 AromaticContact CE1-CD2 3.86Å; F49-F89 HydrophobicContact CE1-CD2 3.86Å; F49-F89 HydrophobicContact CE2-CB 4.09Å; F49-F89 AromaticContact CE2-CD2 3.92Å; F49-F89 HydrophobicContact CE2-CD2 3.92Å; F49-F89 AromaticContact CG-CD2 3.67Å; F49-F89 HydrophobicContact CG-CD2 3.67Å; F49-F89 HydrophobicContact CG-CE2 4.07Å; F49-F89 HydrophobicContact CZ-CB 3.91Å; F49-F89 AromaticContact CZ-CD2 3.95Å; F49-F89 HydrophobicContact CZ-CD2 3.95Å; F49-F89 HydrophobicContact CZ-CG 4.44Å; V85-F89 WeakPolarHBondContact O-CB 3.46Å; V85-F89 PolarHBondContact O-N 2.78Å; L86-F89 PolarHBondContact O-N 3.48Å; K87-F89 VanDerWaalsContact C-N 3.27Å; K87-F89 PolarHBondContact O-N 3.05Å; F89-S91 VanDerWaalsContact C-N 3.34Å; F89-S91 PolarHBondContact O-N 3.19Å; F89-F92 HydrophobicContact CD2-CD1 4.26Å; F89-F92 AromaticContact CE2-CD1 3.92Å; F89-F92 HydrophobicContact CE2-CD1 3.92Å; F89-F92 HydrophobicContact CE2-CE1 4.34Å; F89-F92 WeakPolarHBondContact O-CB 3.45Å; F89-F92 PolarHBondContact O-N 2.99Å; F89-F92 VanDerWaalsContact O-N 3.13Å; F89-L93 HydrophobicContact CD1-CD1 4.19Å; F89-L93 HydrophobicContact CD1-CG 4.32Å; F89-L93 HydrophobicContact CE1-CD1 3.84Å; F89-L93 HydrophobicContact CE1-CD2 4.06Å; F89-L93 HydrophobicContact CE1-CG 3.94Å; F89-L93 HydrophobicContact CZ-CD2 4.06Å; F89-L93 HydrophobicContact CZ-CG 4.34Å; F89-L93 PolarHBondContact O-N 3.12Å; F89-F107 AromaticContact CE1-CZ 3.69Å; F89-F107 HydrophobicContact CE1-CZ 3.69Å; F89-F107 HydrophobicContact CZ-CE1 4.13Å; F89-F107 AromaticContact CZ-CZ 3.6Å; F89-F107 HydrophobicContact CZ-CZ 3.6Å; F89-Y133 AromaticContact CD1-CE2 3.77Å; F89-Y133 HydrophobicContact CD1-CE2 3.77Å; F89-Y133 AromaticContact CD1-CZ 3.99Å; F89-Y133 HydrophobicContact CE1-CD2 4.34Å; F89-Y133 AromaticContact CE1-CE2 3.64Å; F89-Y133 HydrophobicContact CE1-CE2 3.64Å; F89-F134 HydrophobicContact CD1-CE2 4.34Å; F89-F134 AromaticContact CD1-CZ 3.87Å; F89-F134 HydrophobicContact CD1-CZ 3.87Å; F89-F134 HydrophobicContact CE1-CE1 4.39Å; F89-F134 AromaticContact CE1-CZ 3.74Å; F89-F134 HydrophobicContact CE1-CZ 3.74Å; F89-F134 HydrophobicContact CZ-CZ 4.5Å
90N98.3Very high97.9Very high52 Ų5248.2 Ų48.228%0.27828%0.275SS..Hα-helixtrans-57.6-46.6170.4-73.9-31.9000111.6L86 K87 F92 L93 D94 Y133L86-N90 PolarHBondContact O-N 3.49Å; L86-N90 PolarHBondContact O-ND2 2.75Å; K87-N90 WeakPolarHBondContact O-CB 3.24Å; K87-N90 PolarHBondContact O-N 3.04Å; N90-F92 VanDerWaalsContact C-N 3.25Å; N90-F92 PolarHBondContact O-N 3.16Å; N90-L93 WeakPolarHBondContact O-CB 3.43Å; N90-L93 PolarHBondContact O-N 3.35Å; N90-D94 PolarHBondContact O-N 3.49Å; N90-Y133 VanDerWaalsContact OD1-CE1 3.3Å; N90-Y133 WeakPolarHBondContact OD1-CE1 3.38Å; N90-Y133 PolarHBondContact OD1-OH 3.01Å
91S98.5Very high97.5Very high72 Ų7252.7 Ų52.750%0.50330%0.295SS..Hα-helixtrans-62.8-32.2176.1-58.10000112.9K87 I88 F89 D94 A95K87-S91 PolarHBondContact O-N 3.38Å; K87-S91 VanDerWaalsContact O-N 3.08Å; K87-S91 PolarHBondContact O-OG 3.08Å; I88-S91 PolarHBondContact O-N 3.09Å; F89-S91 VanDerWaalsContact C-N 3.34Å; F89-S91 PolarHBondContact O-N 3.19Å; S91-D94 PolarHBondContact O-N 3.46Å; S91-A95 WeakPolarHBondContact O-CB 3.33Å; S91-A95 PolarHBondContact O-N 2.93Å
92F98.7Very high97.3Very high31 Ų3156 Ų5614%0.13632%0.319CS..Hα-helixtrans-65.2-41.9171.7172.7-94.5000111.8M11 A47 F49 I88 F89 N90 A95 N96M11-F92 HydrophobicContact CE-CE1 3.96Å; A47-F92 HydrophobicContact CB-CE2 3.94Å; A47-F92 HydrophobicContact CB-CZ 3.73Å; F49-F92 HydrophobicContact CB-CD1 4.21Å; F49-F92 HydrophobicContact CB-CD2 4.24Å; F49-F92 HydrophobicContact CB-CE1 4.13Å; F49-F92 HydrophobicContact CB-CE2 4.16Å; F49-F92 HydrophobicContact CB-CG 4.27Å; F49-F92 HydrophobicContact CB-CZ 4.1Å; F49-F92 HydrophobicContact CD2-CB 3.85Å; F49-F92 HydrophobicContact CD2-CD1 4.38Å; F49-F92 HydrophobicContact CD2-CD2 4.14Å; F49-F92 AromaticContact CD2-CG 3.87Å; F49-F92 HydrophobicContact CD2-CG 3.87Å; F49-F92 HydrophobicContact CE2-CB 4.3Å; I88-F92 PolarHBondContact O-N 2.8Å; F89-F92 HydrophobicContact CD2-CD1 4.26Å; F89-F92 AromaticContact CE2-CD1 3.92Å; F89-F92 HydrophobicContact CE2-CD1 3.92Å; F89-F92 HydrophobicContact CE2-CE1 4.34Å; F89-F92 WeakPolarHBondContact O-CB 3.45Å; F89-F92 PolarHBondContact O-N 2.99Å; F89-F92 VanDerWaalsContact O-N 3.13Å; N90-F92 VanDerWaalsContact C-N 3.25Å; N90-F92 PolarHBondContact O-N 3.16Å; F92-A95 PolarHBondContact O-N 3.46Å; F92-N96 PolarHBondContact O-N 2.85Å; F92-N96 PolarHBondContact O-ND2 3.02Å
93L98.6Very high97.2Very high0 Ų057.8 Ų57.80%033%0.326CS..Hα-helixtrans-64.4-41.3174-64.3177.7000111.9M11 F89 N90 N96 N97 L98 N99 F105 Y133M11-L93 HydrophobicContact CE-CD2 3.72Å; F89-L93 HydrophobicContact CD1-CD1 4.19Å; F89-L93 HydrophobicContact CD1-CG 4.32Å; F89-L93 HydrophobicContact CE1-CD1 3.84Å; F89-L93 HydrophobicContact CE1-CD2 4.06Å; F89-L93 HydrophobicContact CE1-CG 3.94Å; F89-L93 HydrophobicContact CZ-CD2 4.06Å; F89-L93 HydrophobicContact CZ-CG 4.34Å; F89-L93 PolarHBondContact O-N 3.12Å; N90-L93 WeakPolarHBondContact O-CB 3.43Å; N90-L93 PolarHBondContact O-N 3.35Å; L93-N96 CarbonylContact O-C 3.56Å; L93-N96 PolarHBondContact O-N 3.46Å; L93-N97 PolarHBondContact O-N 3.45Å; L93-N97 VanDerWaalsContact O-N 3.16Å; L93-L98 HydrophobicContact CB-CB 4.48Å; L93-L98 HydrophobicContact CD2-CB 4.15Å; L93-L98 PolarHBondContact O-N 3.18Å; L93-N99 HydrophobicContact CB-CB 3.97Å; L93-F105 HydrophobicContact CD1-CZ 4.11Å; L93-F105 HydrophobicContact CD2-CE1 4.01Å; L93-F105 HydrophobicContact CD2-CZ 3.94Å; L93-Y133 HydrophobicContact CD1-CD1 3.85Å; L93-Y133 HydrophobicContact CD1-CD2 4.34Å; L93-Y133 HydrophobicContact CD1-CE1 3.6Å; L93-Y133 HydrophobicContact CD1-CE2 4.04Å; L93-Y133 HydrophobicContact CD1-CG 4.23Å
94D97.8Very high97.1Very high84 Ų8461.1 Ų61.145%0.44934%0.338SS..Hα-helixtrans-60.8-48176.5-67.4-32.1000111.2N90 S91 N96 N97 N99N90-D94 PolarHBondContact O-N 3.49Å; S91-D94 PolarHBondContact O-N 3.46Å; D94-N96 PolarHBondContact O-N 2.81Å; D94-N97 PolarHBondContact O-N 3.33Å; D94-N99 WeakPolarHBondContact OD1-CB 3.3Å; D94-N99 PolarHBondContact OD1-ND2 3.43Å
95A98.3Very high97Very high78 Ų7858.6 Ų58.665%0.64532%0.322SS*.Hα-helixtrans-61.4-25.9179.600000113.2S91 F92S91-A95 WeakPolarHBondContact O-CB 3.33Å; S91-A95 PolarHBondContact O-N 2.93Å; F92-A95 PolarHBondContact O-N 3.46Å
96N98.1Very high97Very high49 Ų4958.8 Ų58.826%0.26232%0.324SS..THydrogen-bonded Turntrans-97.56.2176.4-70.1-78.3000113.5M37 F92 L93 D94 L98M37-N96 HydrophobicContact SD-CB 4.15Å; F92-N96 PolarHBondContact O-N 2.85Å; F92-N96 PolarHBondContact O-ND2 3.02Å; L93-N96 CarbonylContact O-C 3.56Å; L93-N96 PolarHBondContact O-N 3.46Å; D94-N96 PolarHBondContact O-N 2.81Å; N96-L98 HydrophobicContact CB-CD1 4.12Å; N96-L98 HydrophobicContact CB-CG 4.06Å; N96-L98 PolarHBondContact O-N 3.18Å
97N96.5Very high97Very high129 Ų12958.3 Ų58.369%0.6932%0.321SS*.THydrogen-bonded Turntrans5634.5-176.1-52.8-76.7000113.5L93 D94L93-N97 PolarHBondContact O-N 3.45Å; L93-N97 VanDerWaalsContact O-N 3.16Å; D94-N97 PolarHBondContact O-N 3.33Å
98L97Very high97Very high3 Ų351.6 Ų51.62%0.01629%0.292CS..  trans-102.8-11.8-178.8-68.3-177.1000113.3Y9 M11 M37 L93 N96 T100 F105Y9-L98 HydrophobicContact CD2-CD1 4.4Å; Y9-L98 HydrophobicContact CD2-CD2 3.53Å; Y9-L98 HydrophobicContact CE2-CD2 3.72Å; Y9-L98 HydrophobicContact CG-CD2 4.42Å; M11-L98 HydrophobicContact CE-CD1 4.18Å; M11-L98 HydrophobicContact SD-CD1 4.41Å; M37-L98 HydrophobicContact CG-CD1 4.38Å; M37-L98 HydrophobicContact SD-CD1 3.54Å; M37-L98 VanDerWaalsContact SD-CD1 3.54Å; L93-L98 HydrophobicContact CB-CB 4.48Å; L93-L98 HydrophobicContact CD2-CB 4.15Å; L93-L98 PolarHBondContact O-N 3.18Å; N96-L98 HydrophobicContact CB-CD1 4.12Å; N96-L98 HydrophobicContact CB-CG 4.06Å; N96-L98 PolarHBondContact O-N 3.18Å; L98-T100 PolarHBondContact O-N 2.75Å; L98-F105 HydrophobicContact CB-CD1 3.83Å; L98-F105 HydrophobicContact CB-CE1 3.89Å; L98-F105 HydrophobicContact CD1-CD1 4.24Å; L98-F105 HydrophobicContact CD2-CD1 4.31Å; L98-F105 HydrophobicContact CG-CD1 4.35Å; L98-F105 WeakPolarHBondContact O-CE1 3.49Å
99N93.2Very high97Very high59 Ų5949.1 Ų49.132%0.31628%0.279SS..  trans-81.134.3-178-15817.7000114.1L93 D94L93-N99 HydrophobicContact CB-CB 3.97Å; D94-N99 WeakPolarHBondContact OD1-CB 3.3Å; D94-N99 PolarHBondContact OD1-ND2 3.43Å
100T92.6Very high97Very high78 Ų7850.4 Ų50.448%0.47929%0.288SS..SBendtrans-116.9132.9179.657.80000110.6L98 P102 Y103L98-T100 PolarHBondContact O-N 2.75Å; T100-P102 CarbonylContact O-C 3.55Å; T100-P102 VanDerWaalsContact O-C 3.3Å; T100-P102 VanDerWaalsContact O-O 3.14Å; T100-Y103 WeakPolarHBondContact O-CA 3.21Å; T100-Y103 PolarHBondContact O-N 2.87Å
101I91.9Very high97Very high131 Ų13148.4 Ų48.467%0.67228%0.28SS*.SBendtrans-89.6140.2179.2-65.2169.8000110.4Y103I101-Y103 HydrophobicContact CG1-CD1 4.47Å; I101-Y103 HydrophobicContact CG1-CE1 4.01Å; I101-Y103 HydrophobicContact CG1-CE2 4.07Å
102P93.9Very high96.9Very high111 Ų11147.1 Ų47.172%0.72127%0.267SS*.SBendcis-68.1137.4-530-34.7000111.3T100 Q104T100-P102 CarbonylContact O-C 3.55Å; T100-P102 VanDerWaalsContact O-C 3.3Å; T100-P102 VanDerWaalsContact O-O 3.14Å; P102-Q104 PolarHBondContact O-N 2.88Å
103Y95.9Very high96.9Very high40 Ų4049.6 Ų49.616%0.15729%0.287CS..PPolyproline II helixtrans-57.9126.6-178.9-60.8-65.2000110T100 I101 F105 D132 Y133T100-Y103 WeakPolarHBondContact O-CA 3.21Å; T100-Y103 PolarHBondContact O-N 2.87Å; I101-Y103 HydrophobicContact CG1-CD1 4.47Å; I101-Y103 HydrophobicContact CG1-CE1 4.01Å; I101-Y103 HydrophobicContact CG1-CE2 4.07Å; Y103-F105 AromaticContact CD1-CE1 3.75Å; Y103-F105 HydrophobicContact CD1-CE1 3.75Å; Y103-F105 HydrophobicContact CD1-CZ 4.03Å; Y103-F105 HydrophobicContact CG-CE1 4.17Å; Y103-F105 HydrophobicContact CG-CZ 4.28Å; Y103-F105 PolarHBondContact O-N 3.45Å; Y103-D132 HydrophobicContact CE2-CB 4.42Å; Y103-Y133 HydrophobicContact CE1-CD1 4.16Å; Y103-Y133 AromaticContact CZ-CD1 3.95Å
104Q96.4Very high96.9Very high106 Ų10650.3 Ų50.350%0.49529%0.291SS..SBendtrans-80.99.3177.9-61.3-17294.900112.5A8 Y9 P102A8-Q104 WeakPolarHBondContact CA-O 3.49Å; A8-Q104 HydrophobicContact CB-CB 4.19Å; A8-Q104 WeakPolarHBondContact CB-O 3.45Å; A8-Q104 PolarHBondContact N-O 3.02Å; Y9-Q104 PolarHBondContact N-O 2.85Å; P102-Q104 PolarHBondContact O-N 2.88Å
105F98.3Very high96.9Very high4 Ų446.3 Ų46.32%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-131.9160.9-17970.6-96.2000111Y9 M11 L93 L98 Y103 F107 Y133Y9-F105 WeakPolarHBondContact O-CA 3.14Å; Y9-F105 WeakPolarHBondContact O-CB 3.35Å; M11-F105 HydrophobicContact CB-CD2 4.42Å; M11-F105 HydrophobicContact CG-CB 4.04Å; M11-F105 HydrophobicContact CG-CD2 3.39Å; M11-F105 HydrophobicContact CG-CE2 4.07Å; M11-F105 HydrophobicContact CG-CG 3.89Å; L93-F105 HydrophobicContact CD1-CZ 4.11Å; L93-F105 HydrophobicContact CD2-CE1 4.01Å; L93-F105 HydrophobicContact CD2-CZ 3.94Å; L98-F105 HydrophobicContact CB-CD1 3.83Å; L98-F105 HydrophobicContact CB-CE1 3.89Å; L98-F105 HydrophobicContact CD1-CD1 4.24Å; L98-F105 HydrophobicContact CD2-CD1 4.31Å; L98-F105 HydrophobicContact CG-CD1 4.35Å; L98-F105 WeakPolarHBondContact O-CE1 3.49Å; Y103-F105 AromaticContact CD1-CE1 3.75Å; Y103-F105 HydrophobicContact CD1-CE1 3.75Å; Y103-F105 HydrophobicContact CD1-CZ 4.03Å; Y103-F105 HydrophobicContact CG-CE1 4.17Å; Y103-F105 HydrophobicContact CG-CZ 4.28Å; Y103-F105 PolarHBondContact O-N 3.45Å; F105-F107 HydrophobicContact CD2-CE2 4.38Å; F105-F107 HydrophobicContact CE2-CD2 4.11Å; F105-F107 AromaticContact CE2-CE2 3.63Å; F105-F107 HydrophobicContact CE2-CE2 3.63Å; F105-F107 HydrophobicContact CE2-CZ 4.35Å; F105-Y133 HydrophobicContact CZ-CG 4.18Å
106A98.5Very high96.9Very high4 Ų448.1 Ų48.13%0.03326%0.263CS..EExtended strand (participates in β ladder)trans-134.7144.7168.400000110.3F7 Y9 F10 M11 I138F7-A106 HydrophobicContact CD1-CB 3.97Å; F7-A106 HydrophobicContact CD2-CB 3.72Å; F7-A106 HydrophobicContact CE1-CB 3.94Å; F7-A106 HydrophobicContact CE2-CB 3.69Å; F7-A106 HydrophobicContact CG-CB 3.86Å; F7-A106 HydrophobicContact CZ-CB 3.81Å; Y9-A106 PolarHBondContact O-N 2.87Å; F10-A106 WeakPolarHBondContact CA-O 3.08Å; M11-A106 PolarHBondContact N-O 3.05Å; A106-I138 HydrophobicContact CB-CD1 3.86Å; A106-I138 HydrophobicContact CB-CG1 4.08Å
107F98.8Very high96.9Very high0 Ų047.9 Ų47.90%026%0.264CS..EExtended strand (participates in β ladder)trans-71.1144170.7-79.4-84.2000111.5M11 L13 V35 F89 F105 L115 Y133 F134 W137 I138M11-F107 HydrophobicContact CB-CD1 3.53Å; M11-F107 HydrophobicContact CB-CD2 4.48Å; M11-F107 HydrophobicContact CB-CE1 3.54Å; M11-F107 HydrophobicContact CB-CE2 4.49Å; M11-F107 HydrophobicContact CB-CG 4.02Å; M11-F107 HydrophobicContact CB-CZ 4.04Å; M11-F107 HydrophobicContact CG-CE1 4.4Å; M11-F107 HydrophobicContact CG-CZ 4.45Å; M11-F107 CarbonylContact O-C 3.57Å; M11-F107 VanDerWaalsContact O-CA 3.27Å; M11-F107 WeakPolarHBondContact O-CA 3.39Å; M11-F107 VanDerWaalsContact O-CD1 3.29Å; M11-F107 WeakPolarHBondContact O-CD1 3.45Å; L13-F107 HydrophobicContact CB-CD1 3.85Å; L13-F107 HydrophobicContact CB-CE1 4.27Å; L13-F107 HydrophobicContact CD1-CD1 3.78Å; L13-F107 HydrophobicContact CD1-CE1 3.68Å; L13-F107 HydrophobicContact CG-CD1 4.48Å; V35-F107 HydrophobicContact CG1-CE1 4.02Å; V35-F107 HydrophobicContact CG2-CE1 4.12Å; F89-F107 AromaticContact CE1-CZ 3.69Å; F89-F107 HydrophobicContact CE1-CZ 3.69Å; F89-F107 HydrophobicContact CZ-CE1 4.13Å; F89-F107 AromaticContact CZ-CZ 3.6Å; F89-F107 HydrophobicContact CZ-CZ 3.6Å; F105-F107 HydrophobicContact CD2-CE2 4.38Å; F105-F107 HydrophobicContact CE2-CD2 4.11Å; F105-F107 AromaticContact CE2-CE2 3.63Å; F105-F107 HydrophobicContact CE2-CE2 3.63Å; F105-F107 HydrophobicContact CE2-CZ 4.35Å; F107-L115 HydrophobicContact CB-CD1 3.7Å; F107-L115 HydrophobicContact CG-CD1 4.16Å; F107-Y133 VanDerWaalsContact CD2-O 3.31Å; F107-Y133 WeakPolarHBondContact CD2-O 3.24Å; F107-Y133 AromaticContact CE2-CD2 3.77Å; F107-Y133 HydrophobicContact CE2-CD2 3.77Å; F107-Y133 HydrophobicContact CZ-CD2 4.36Å; F107-F134 HydrophobicContact CD1-CD1 4.44Å; F107-F134 HydrophobicContact CD1-CE1 4.11Å; F107-F134 AromaticContact CD2-CD1 3.84Å; F107-F134 HydrophobicContact CD2-CD1 3.84Å; F107-F134 HydrophobicContact CD2-CE1 4.07Å; F107-F134 HydrophobicContact CE1-CD1 4.2Å; F107-F134 AromaticContact CE1-CE1 3.5Å; F107-F134 HydrophobicContact CE1-CE1 3.5Å; F107-F134 HydrophobicContact CE1-CZ 4.4Å; F107-F134 AromaticContact CE2-CD1 3.56Å; F107-F134 HydrophobicContact CE2-CD1 3.56Å; F107-F134 AromaticContact CE2-CE1 3.44Å; F107-F134 HydrophobicContact CE2-CE1 3.44Å; F107-F134 VanDerWaalsContact CE2-CE1 3.44Å; F107-F134 HydrophobicContact CE2-CG 4.48Å; F107-F134 HydrophobicContact CE2-CZ 4.28Å; F107-F134 HydrophobicContact CG-CD1 4.27Å; F107-F134 HydrophobicContact CG-CE1 4.37Å; F107-F134 AromaticContact CZ-CD1 3.76Å; F107-F134 HydrophobicContact CZ-CD1 3.76Å; F107-F134 AromaticContact CZ-CE1 3.12Å; F107-F134 HydrophobicContact CZ-CE1 3.12Å; F107-F134 AromaticContact CZ-CZ 3.82Å; F107-F134 HydrophobicContact CZ-CZ 3.82Å; F107-W137 HydrophobicContact CB-CB 4.13Å; F107-W137 WeakPolarHBondContact O-CA 3.13Å; F107-I138 PolarHBondContact O-N 2.72Å
108V98.9Very high97Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-125123.6174.8-1750000108.6F10 M11 V12 L13 I138 L140 L184 L194F10-V108 HydrophobicContact CB-CG2 3.83Å; F10-V108 HydrophobicContact CD1-CG2 3.81Å; F10-V108 HydrophobicContact CG-CG2 4.11Å; M11-V108 PolarHBondContact O-N 3.23Å; V12-V108 WeakPolarHBondContact CA-O 3.46Å; V12-V108 HydrophobicContact CG2-CB 4.23Å; L13-V108 PolarHBondContact N-O 3.12Å; V108-I138 WeakPolarHBondContact CA-O 3.44Å; V108-I138 HydrophobicContact CG2-CB 4.22Å; V108-L140 HydrophobicContact CG1-CB 4.15Å; V108-L140 HydrophobicContact CG1-CD1 4.05Å; V108-L184 HydrophobicContact CG1-CD2 4.45Å; V108-L184 HydrophobicContact CG2-CD2 4.25Å; V108-L194 HydrophobicContact CG2-CD2 4.36Å
109T98.8Very high97Very high0 Ų042.8 Ų42.80%024%0.236CC..EExtended strand (participates in β ladder)trans-129.2155.3-176.155.30000111.2L13 G111 D114 L115 I138 L140L13-T109 HydrophobicContact CB-CG2 4.43Å; L13-T109 HydrophobicContact CD2-CG2 3.91Å; T109-G111 VanDerWaalsContact C-N 3.34Å; T109-G111 WeakPolarHBondContact CB-O 3.36Å; T109-G111 PolarHBondContact O-N 2.84Å; T109-G111 VanDerWaalsContact O-N 3.11Å; T109-G111 PolarHBondContact OG1-O 3.3Å; T109-D114 HydrophobicContact CG2-CB 4.42Å; T109-L115 HydrophobicContact CG2-CD1 3.81Å; T109-L115 HydrophobicContact CG2-CG 4.08Å; T109-I138 PolarHBondContact N-O 3.02Å; T109-L140 WeakPolarHBondContact O-CB 3.37Å; T109-L140 PolarHBondContact O-N 3.08Å
110C98.2Very high97.3Very high28 Ų2841.4 Ų41.419%0.18923%0.23CC..SBendtrans-85.473.6174.5-177.20000111.7M155 M158 I180C110-M155 PolarHBondContact SG-N 3.49Å; C110-M158 WeakPolarHBondContact SG-CE 3.45Å; C110-I180 HydrophobicContact CB-CD1 3.62Å; C110-I180 HydrophobicContact CB-CG1 3.97Å
111G97.5Very high97.5Very high9 Ų946.1 Ų46.19%0.09324%0.239CC..SBendtrans106-172.1-171.300000111.2T109 N139T109-G111 VanDerWaalsContact C-N 3.34Å; T109-G111 WeakPolarHBondContact CB-O 3.36Å; T109-G111 PolarHBondContact O-N 2.84Å; T109-G111 VanDerWaalsContact O-N 3.11Å; T109-G111 PolarHBondContact OG1-O 3.3Å; G111-N139 VanDerWaalsContact CA-OD1 3.29Å; G111-N139 WeakPolarHBondContact CA-OD1 3.35Å; G111-N139 PolarHBondContact N-OD1 3.12Å
112D97.7Very high97.8Very high45 Ų4540 Ų4024%0.24121%0.207CC..SBendtrans-101.3-6.6-175.7-58.7-47000113.3D114 K116 W137 N139D112-D114 PolarHBondContact O-N 3.38Å; D112-K116 HydrophobicContact CB-CB 4Å; D112-K116 HydrophobicContact CB-CD 3.86Å; D112-K116 WeakPolarHBondContact O-CA 3.14Å; D112-K116 WeakPolarHBondContact O-CB 3.39Å; D112-K116 PolarHBondContact O-N 3.48Å; D112-W137 HydrophobicContact CB-CZ2 4.12Å; D112-W137 PolarHBondContact OD1-NE1 3.5Å; D112-N139 WeakPolarHBondContact OD1-CB 3.47Å; D112-N139 PolarHBondContact OD1-ND2 3.34Å; D112-N139 PolarHBondContact OD2-ND2 2.87Å
113C97.4Very high98Very high83 Ų8334.7 Ų34.756%0.56117%0.173SC*.Hα-helixtrans-60.1-48.2-164.3-163.20000112.7L115 T117 M118C113-L115 PolarHBondContact O-N 3.44Å; C113-T117 CarbonylContact O-C 3.51Å; C113-T117 WeakPolarHBondContact O-CA 3.03Å; C113-T117 WeakPolarHBondContact O-CB 3.45Å; C113-T117 PolarHBondContact O-N 3.42Å; C113-M118 PolarHBondContact O-N 2.88Å
114D98.4Very high98.1Very high15 Ų1541.4 Ų41.48%0.0820%0.203CC..Iπ-helixtrans-56.8-51.7-174.5-59.3-54.2000112.8L13 F15 T109 D112 M118 L119L13-D114 HydrophobicContact CD2-CB 3.79Å; F15-D114 HydrophobicContact CD2-CB 3.73Å; F15-D114 HydrophobicContact CE2-CB 4.24Å; F15-D114 HydrophobicContact CG-CB 4.47Å; F15-D114 PolarHBondContact N-OD1 2.97Å; T109-D114 HydrophobicContact CG2-CB 4.42Å; D112-D114 PolarHBondContact O-N 3.38Å; D114-M118 WeakPolarHBondContact O-CB 2.9Å; D114-M118 PolarHBondContact O-N 3.3Å; D114-L119 WeakPolarHBondContact O-CB 3.29Å; D114-L119 PolarHBondContact O-N 2.96Å
115L98.6Very high98.2Very high1 Ų138.7 Ų38.71%0.00520%0.199CC..Iπ-helixtrans-97.6-23-171.7-60.8-179.1000113.6L13 F15 F107 T109 C113 L119 P120 F134 W137L13-L115 HydrophobicContact CD1-CD2 4.49Å; L13-L115 HydrophobicContact CD2-CD2 4.31Å; L13-L115 HydrophobicContact CD2-CG 4.48Å; F15-L115 HydrophobicContact CE2-CD2 4.16Å; F107-L115 HydrophobicContact CB-CD1 3.7Å; F107-L115 HydrophobicContact CG-CD1 4.16Å; T109-L115 HydrophobicContact CG2-CD1 3.81Å; T109-L115 HydrophobicContact CG2-CG 4.08Å; C113-L115 PolarHBondContact O-N 3.44Å; L115-L119 HydrophobicContact CD2-CD2 4.06Å; L115-P120 WeakPolarHBondContact O-CD 3.49Å; L115-P120 WeakPolarHBondContact O-CG 3.49Å; L115-F134 HydrophobicContact CD1-CD1 4.46Å; L115-F134 HydrophobicContact CD2-CB 4.18Å; L115-F134 HydrophobicContact CD2-CD1 3.57Å; L115-F134 HydrophobicContact CD2-CE1 4.31Å; L115-F134 HydrophobicContact CD2-CG 4.15Å; L115-W137 HydrophobicContact CB-CD2 3.73Å; L115-W137 HydrophobicContact CB-CE3 3.47Å; L115-W137 VanDerWaalsContact CB-CE3 3.47Å; L115-W137 HydrophobicContact CB-CG 4.24Å; L115-W137 HydrophobicContact CB-CZ3 3.9Å; L115-W137 HydrophobicContact CD1-CB 3.56Å; L115-W137 HydrophobicContact CD1-CD2 4.22Å; L115-W137 HydrophobicContact CD1-CE3 4.24Å; L115-W137 HydrophobicContact CD1-CG 3.94Å
116K98.5Very high98.2Very high115 Ų11540.9 Ų40.950%0.521%0.211SC..Iπ-helixtrans-82.5-33.4174.1-165.4175.3179.3174.20112.7D112 W137 I200D112-K116 HydrophobicContact CB-CB 4Å; D112-K116 HydrophobicContact CB-CD 3.86Å; D112-K116 WeakPolarHBondContact O-CA 3.14Å; D112-K116 WeakPolarHBondContact O-CB 3.39Å; D112-K116 PolarHBondContact O-N 3.48Å; K116-W137 HydrophobicContact CB-CH2 3.63Å; K116-W137 HydrophobicContact CB-CZ2 3.63Å; K116-W137 HydrophobicContact CD-CZ2 4.42Å; K116-W137 HydrophobicContact CG-CH2 4.08Å; K116-W137 HydrophobicContact CG-CZ2 4.21Å; K116-I200 HydrophobicContact CG-CG2 4.48Å
117T97.3Very high98.1Very high45 Ų4544 Ų4428%0.27624%0.244SC..Iπ-helixtrans-126.6-55.3-167-55.60000112.7C113 R121C113-T117 CarbonylContact O-C 3.51Å; C113-T117 WeakPolarHBondContact O-CA 3.03Å; C113-T117 WeakPolarHBondContact O-CB 3.45Å; C113-T117 PolarHBondContact O-N 3.42Å; T117-R121 HydrophobicContact CG2-CG 4.42Å; T117-R121 WeakPolarHBondContact O-CB 3.46Å; T117-R121 WeakPolarHBondContact O-CG 3.45Å; T117-R121 PolarHBondContact O-N 3.43Å
118M98.1Very high98.1Very high25 Ų2546.6 Ų46.612%0.12326%0.257CS..Iπ-helixtrans-63.5-63.4-169.9-169.655.1-113.500111.3A17 A28 I30 C113 D114 R121 Q122A17-M118 HydrophobicContact CB-CE 4.14Å; A17-M118 HydrophobicContact CB-CG 4.32Å; A17-M118 HydrophobicContact CB-SD 3.65Å; A28-M118 VanDerWaalsContact C-CE 3.46Å; A28-M118 HydrophobicContact CB-CE 3.83Å; A28-M118 HydrophobicContact CB-SD 3.98Å; A28-M118 WeakPolarHBondContact O-CE 3.29Å; I30-M118 HydrophobicContact CG1-CE 4.22Å; I30-M118 HydrophobicContact CG1-CG 3.95Å; C113-M118 PolarHBondContact O-N 2.88Å; D114-M118 WeakPolarHBondContact O-CB 2.9Å; D114-M118 PolarHBondContact O-N 3.3Å; M118-R121 PolarHBondContact O-N 2.94Å; M118-Q122 HydrophobicContact CE-CB 4.27Å; M118-Q122 PolarHBondContact O-N 3.32Å; M118-Q122 VanDerWaalsContact O-N 3.12Å
119L98.6Very high98Very high0 Ų053.7 Ų53.70%030%0.295CS..Hα-helixtrans-61-48.8-179.6178.668.6000112.5F15 I30 L82 D114 L115 R121 Q122 C123 V130 F134F15-L119 HydrophobicContact CE2-CB 3.94Å; I30-L119 HydrophobicContact CD1-CB 4.28Å; I30-L119 HydrophobicContact CD1-CD1 3.92Å; L82-L119 HydrophobicContact CD2-CD1 4.18Å; D114-L119 WeakPolarHBondContact O-CB 3.29Å; D114-L119 PolarHBondContact O-N 2.96Å; L115-L119 HydrophobicContact CD2-CD2 4.06Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 3.13Å; L119-Q122 PolarHBondContact O-N 3.26Å; L119-C123 WeakPolarHBondContact O-CB 3.48Å; L119-C123 PolarHBondContact O-N 2.98Å; L119-C123 PolarHBondContact O-SG 3.37Å; L119-C123 VanDerWaalsContact O-SG 3.39Å; L119-V130 HydrophobicContact CD2-CG1 4.08Å; L119-V130 HydrophobicContact CG-CG1 4.48Å; L119-F134 HydrophobicContact CD2-CB 3.81Å; L119-F134 HydrophobicContact CD2-CD1 4.2Å; L119-F134 HydrophobicContact CD2-CD2 3.54Å; L119-F134 HydrophobicContact CD2-CE2 4.12Å; L119-F134 HydrophobicContact CD2-CG 3.6Å
120P98.3Very high98Very high29 Ų2954.6 Ų54.619%0.18830%0.3CS..Hα-helixtrans-60.9-36.8179.2-26.236.3000114.3L115 K124 V130 I200L115-P120 WeakPolarHBondContact O-CD 3.49Å; L115-P120 WeakPolarHBondContact O-CG 3.49Å; P120-K124 VanDerWaalsContact O-CB 3.32Å; P120-K124 WeakPolarHBondContact O-CB 3.34Å; P120-K124 PolarHBondContact O-N 3.08Å; P120-V130 HydrophobicContact CB-CG2 4.1Å; P120-V130 HydrophobicContact CG-CG2 4.24Å; P120-I200 HydrophobicContact CB-CD1 4.4Å; P120-I200 HydrophobicContact CG-CD1 3.66Å
121R97.9Very high98Very high177 Ų17754.5 Ų54.567%0.66830%0.299SS*.Hα-helixtrans-67.6-43.2177.5-77.9-178.3176.3-171.20.9111.8T117 M118 L119 K124 A125T117-R121 HydrophobicContact CG2-CG 4.42Å; T117-R121 WeakPolarHBondContact O-CB 3.46Å; T117-R121 WeakPolarHBondContact O-CG 3.45Å; T117-R121 PolarHBondContact O-N 3.43Å; M118-R121 PolarHBondContact O-N 2.94Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 3.13Å; R121-K124 PolarHBondContact O-N 3.45Å; R121-A125 PolarHBondContact O-N 2.96Å
122Q98.3Very high98Very high2 Ų258.4 Ų58.41%0.00932%0.318CS..Hα-helixtrans-69.1-43.2178.5-167.7177.81.200111.5E29 I30 L82 M118 L119 K124 A125 L126E29-Q122 HydrophobicContact CG-CG 4.44Å; I30-Q122 VanDerWaalsContact CG1-OE1 3.3Å; L82-Q122 HydrophobicContact CD2-CB 4.24Å; L82-Q122 HydrophobicContact CD2-CG 3.8Å; M118-Q122 HydrophobicContact CE-CB 4.27Å; M118-Q122 PolarHBondContact O-N 3.32Å; M118-Q122 VanDerWaalsContact O-N 3.12Å; L119-Q122 PolarHBondContact O-N 3.26Å; Q122-K124 VanDerWaalsContact C-N 3.29Å; Q122-K124 PolarHBondContact O-N 3.07Å; Q122-A125 PolarHBondContact O-N 2.8Å; Q122-A125 VanDerWaalsContact O-N 3.09Å; Q122-L126 HydrophobicContact CG-CD1 4Å; Q122-L126 HydrophobicContact CG-CG 4.42Å; Q122-L126 WeakPolarHBondContact O-CG 3.46Å; Q122-L126 PolarHBondContact O-N 3.08Å
123C98.4Very high98Very high1 Ų156.7 Ų56.71%0.00731%0.308CS..Hα-helixtrans-54.8-45.5173-76.30000111.7L119 A125 L126 G127 I128 V130L119-C123 WeakPolarHBondContact O-CB 3.48Å; L119-C123 PolarHBondContact O-N 2.98Å; L119-C123 PolarHBondContact O-SG 3.37Å; L119-C123 VanDerWaalsContact O-SG 3.39Å; C123-A125 PolarHBondContact O-N 2.96Å; C123-L126 CarbonylContact O-C 3.51Å; C123-L126 PolarHBondContact O-N 3.24Å; C123-G127 PolarHBondContact O-N 2.8Å; C123-I128 CarbonylContact C-O 3.55Å; C123-I128 HydrophobicContact CB-CG1 3.95Å; C123-I128 WeakPolarHBondContact CB-O 3.1Å; C123-I128 PolarHBondContact O-N 2.77Å; C123-V130 HydrophobicContact CB-CG2 3.79Å
124K98Very high98Very high181 Ų18152.8 Ų52.879%0.78728%0.282SS*.Hα-helixtrans-60.8-42.6175.2-176.4179.6-179.7-179.90112.6P120 R121 Q122 L126 G127P120-K124 VanDerWaalsContact O-CB 3.32Å; P120-K124 WeakPolarHBondContact O-CB 3.34Å; P120-K124 PolarHBondContact O-N 3.08Å; R121-K124 PolarHBondContact O-N 3.45Å; Q122-K124 VanDerWaalsContact C-N 3.29Å; Q122-K124 PolarHBondContact O-N 3.07Å; K124-L126 VanDerWaalsContact C-N 3.29Å; K124-L126 PolarHBondContact O-N 2.99Å; K124-G127 PolarHBondContact O-N 3.16Å
125A98Very high98Very high49 Ų4954.7 Ų54.741%0.40529%0.289SS..Hα-helixtrans-66-32.517800000112.6V27 I57 R121 Q122 C123V27-A125 HydrophobicContact CB-CB 4.45Å; V27-A125 HydrophobicContact CG1-CB 3.66Å; V27-A125 HydrophobicContact CG2-CB 3.91Å; I57-A125 HydrophobicContact CD1-CB 4.16Å; R121-A125 PolarHBondContact O-N 2.96Å; Q122-A125 PolarHBondContact O-N 2.8Å; Q122-A125 VanDerWaalsContact O-N 3.09Å; C123-A125 PolarHBondContact O-N 2.96Å
126L97.7Very high98Very high49 Ų4958.5 Ų58.526%0.25731%0.307SS..Hα-helixtrans-86.1-5.9177.7-65.6174.1000113.7L82 P83 Q122 C123 K124 I128L82-L126 HydrophobicContact CB-CD1 4.18Å; L82-L126 HydrophobicContact CD2-CD1 4.08Å; P83-L126 HydrophobicContact CG-CD1 4.11Å; Q122-L126 HydrophobicContact CG-CD1 4Å; Q122-L126 HydrophobicContact CG-CG 4.42Å; Q122-L126 WeakPolarHBondContact O-CG 3.46Å; Q122-L126 PolarHBondContact O-N 3.08Å; C123-L126 CarbonylContact O-C 3.51Å; C123-L126 PolarHBondContact O-N 3.24Å; K124-L126 VanDerWaalsContact C-N 3.29Å; K124-L126 PolarHBondContact O-N 2.99Å; L126-I128 VanDerWaalsContact C-N 3.31Å; L126-I128 HydrophobicContact CB-CD1 4.47Å; L126-I128 HydrophobicContact CB-CG1 4.09Å; L126-I128 HydrophobicContact CD1-CD1 4.37Å; L126-I128 PolarHBondContact O-N 3.14Å
127G97.7Very high98Very high71 Ų7153 Ų5373%0.73228%0.283SS*.THydrogen-bonded Turntrans66.829.5-17700000113.9C123 K124C123-G127 PolarHBondContact O-N 2.8Å; K124-G127 PolarHBondContact O-N 3.16Å
128I97.7Very high98.1Very high54 Ų5450.9 Ų50.928%0.27727%0.27SS..  trans-115.6155.2177.364.5170.8000111.1P83 L86 C123 L126P83-I128 HydrophobicContact CB-CD1 4.44Å; P83-I128 HydrophobicContact CG-CD1 4.19Å; L86-I128 HydrophobicContact CD1-CD1 3.81Å; C123-I128 CarbonylContact C-O 3.55Å; C123-I128 HydrophobicContact CB-CG1 3.95Å; C123-I128 WeakPolarHBondContact CB-O 3.1Å; C123-I128 PolarHBondContact O-N 2.77Å; L126-I128 VanDerWaalsContact C-N 3.31Å; L126-I128 HydrophobicContact CB-CD1 4.47Å; L126-I128 HydrophobicContact CB-CG1 4.09Å; L126-I128 HydrophobicContact CD1-CD1 4.37Å; L126-I128 PolarHBondContact O-N 3.14Å
129D97.8Very high98.1Very high148 Ų14849.9 Ų49.979%0.79127%0.265SS*.PPolyproline II helixtrans-77.4149.1175.2-67.9-43000112P131D129-P131 WeakPolarHBondContact O-CD 3.34Å
130V98.5Very high98.1Very high19 Ų1949.9 Ų49.912%0.11527%0.265CS..PPolyproline II helixtrans-75.8122.8167.4-178.90000108.1L119 P120 C123 F134 K135 I200L119-V130 HydrophobicContact CD2-CG1 4.08Å; L119-V130 HydrophobicContact CG-CG1 4.48Å; P120-V130 HydrophobicContact CB-CG2 4.1Å; P120-V130 HydrophobicContact CG-CG2 4.24Å; C123-V130 HydrophobicContact CB-CG2 3.79Å; V130-F134 HydrophobicContact CG1-CB 3.9Å; V130-K135 HydrophobicContact CG1-CG 4.37Å; V130-K135 VanDerWaalsContact O-CE 3.25Å; V130-K135 WeakPolarHBondContact O-CE 3.42Å; V130-I200 HydrophobicContact CG1-CD1 4.28Å
131P97.8Very high98.1Very high26 Ų2650.2 Ų50.217%0.16926%0.264CS..PPolyproline II helixtrans-55140.7176-25.832.6000112.8L86 D129 Y133 F134L86-P131 HydrophobicContact CD2-CG 4.41Å; D129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-Y133 VanDerWaalsContact C-N 3.26Å; P131-Y133 HydrophobicContact CB-CD1 4.23Å; P131-Y133 HydrophobicContact CB-CD2 4.25Å; P131-Y133 HydrophobicContact CB-CE1 3.71Å; P131-Y133 HydrophobicContact CB-CE2 3.81Å; P131-Y133 HydrophobicContact CB-CG 4.47Å; P131-Y133 VanDerWaalsContact CB-CZ 3.46Å; P131-Y133 HydrophobicContact CG-CE2 4.47Å; P131-Y133 PolarHBondContact O-N 3.23Å; P131-Y133 VanDerWaalsContact O-N 3.16Å; P131-F134 HydrophobicContact CB-CD2 3.91Å; P131-F134 HydrophobicContact CB-CE2 4.45Å; P131-F134 HydrophobicContact CG-CD2 3.91Å; P131-F134 HydrophobicContact CG-CE2 4.23Å; P131-F134 WeakPolarHBondContact O-CB 3.32Å; P131-F134 PolarHBondContact O-N 3.15Å
132D97.5Very high98.2Very high92 Ų9244.6 Ų44.649%0.49225%0.245SC..G310 helixtrans-59.2-33.8-171.6-73.7-28.4000113.8Y103 F134 K135Y103-D132 HydrophobicContact CE2-CB 4.42Å; D132-F134 PolarHBondContact O-N 2.85Å; D132-K135 WeakPolarHBondContact O-CB 3.25Å; D132-K135 PolarHBondContact O-N 3.22Å; D132-K135 WeakPolarHBondContact OD1-CE 3.06Å; D132-K135 IonicContact OD1-NZ 2.72Å; D132-K135 PolarHBondContact OD1-NZ 3.17Å
133Y97.5Very high98.2Very high9 Ų945 Ų454%0.03525%0.248CC..G310 helixtrans-67.7-15.4177.751.2-107000113.9F89 N90 L93 Y103 F105 F107 P131F89-Y133 AromaticContact CD1-CE2 3.77Å; F89-Y133 HydrophobicContact CD1-CE2 3.77Å; F89-Y133 AromaticContact CD1-CZ 3.99Å; F89-Y133 HydrophobicContact CE1-CD2 4.34Å; F89-Y133 AromaticContact CE1-CE2 3.64Å; F89-Y133 HydrophobicContact CE1-CE2 3.64Å; N90-Y133 VanDerWaalsContact OD1-CE1 3.3Å; N90-Y133 WeakPolarHBondContact OD1-CE1 3.38Å; N90-Y133 PolarHBondContact OD1-OH 3.01Å; L93-Y133 HydrophobicContact CD1-CD1 3.85Å; L93-Y133 HydrophobicContact CD1-CD2 4.34Å; L93-Y133 HydrophobicContact CD1-CE1 3.6Å; L93-Y133 HydrophobicContact CD1-CE2 4.04Å; L93-Y133 HydrophobicContact CD1-CG 4.23Å; Y103-Y133 HydrophobicContact CE1-CD1 4.16Å; Y103-Y133 AromaticContact CZ-CD1 3.95Å; F105-Y133 HydrophobicContact CZ-CG 4.18Å; F107-Y133 VanDerWaalsContact CD2-O 3.31Å; F107-Y133 WeakPolarHBondContact CD2-O 3.24Å; F107-Y133 AromaticContact CE2-CD2 3.77Å; F107-Y133 HydrophobicContact CE2-CD2 3.77Å; F107-Y133 HydrophobicContact CZ-CD2 4.36Å; P131-Y133 VanDerWaalsContact C-N 3.26Å; P131-Y133 HydrophobicContact CB-CD1 4.23Å; P131-Y133 HydrophobicContact CB-CD2 4.25Å; P131-Y133 HydrophobicContact CB-CE1 3.71Å; P131-Y133 HydrophobicContact CB-CE2 3.81Å; P131-Y133 HydrophobicContact CB-CG 4.47Å; P131-Y133 VanDerWaalsContact CB-CZ 3.46Å; P131-Y133 HydrophobicContact CG-CE2 4.47Å; P131-Y133 PolarHBondContact O-N 3.23Å; P131-Y133 VanDerWaalsContact O-N 3.16Å
134F98.5Very high98.2Very high0 Ų045.6 Ų45.60%025%0.25CS..G310 helixtrans-90.1-8.9172.1-72.1-55.2000113.5L13 F33 L86 F89 F107 L115 L119 V130 P131 D132 Q136L13-F134 HydrophobicContact CD1-CE1 3.82Å; F33-F134 HydrophobicContact CE1-CZ 4.29Å; F33-F134 HydrophobicContact CZ-CE1 4.26Å; F33-F134 HydrophobicContact CZ-CE2 4.24Å; F33-F134 AromaticContact CZ-CZ 3.57Å; F33-F134 HydrophobicContact CZ-CZ 3.57Å; L86-F134 HydrophobicContact CD2-CE2 3.81Å; F89-F134 HydrophobicContact CD1-CE2 4.34Å; F89-F134 AromaticContact CD1-CZ 3.87Å; F89-F134 HydrophobicContact CD1-CZ 3.87Å; F89-F134 HydrophobicContact CE1-CE1 4.39Å; F89-F134 AromaticContact CE1-CZ 3.74Å; F89-F134 HydrophobicContact CE1-CZ 3.74Å; F89-F134 HydrophobicContact CZ-CZ 4.5Å; F107-F134 HydrophobicContact CD1-CD1 4.44Å; F107-F134 HydrophobicContact CD1-CE1 4.11Å; F107-F134 AromaticContact CD2-CD1 3.84Å; F107-F134 HydrophobicContact CD2-CD1 3.84Å; F107-F134 HydrophobicContact CD2-CE1 4.07Å; F107-F134 HydrophobicContact CE1-CD1 4.2Å; F107-F134 AromaticContact CE1-CE1 3.5Å; F107-F134 HydrophobicContact CE1-CE1 3.5Å; F107-F134 HydrophobicContact CE1-CZ 4.4Å; F107-F134 AromaticContact CE2-CD1 3.56Å; F107-F134 HydrophobicContact CE2-CD1 3.56Å; F107-F134 AromaticContact CE2-CE1 3.44Å; F107-F134 HydrophobicContact CE2-CE1 3.44Å; F107-F134 VanDerWaalsContact CE2-CE1 3.44Å; F107-F134 HydrophobicContact CE2-CG 4.48Å; F107-F134 HydrophobicContact CE2-CZ 4.28Å; F107-F134 HydrophobicContact CG-CD1 4.27Å; F107-F134 HydrophobicContact CG-CE1 4.37Å; F107-F134 AromaticContact CZ-CD1 3.76Å; F107-F134 HydrophobicContact CZ-CD1 3.76Å; F107-F134 AromaticContact CZ-CE1 3.12Å; F107-F134 HydrophobicContact CZ-CE1 3.12Å; F107-F134 AromaticContact CZ-CZ 3.82Å; F107-F134 HydrophobicContact CZ-CZ 3.82Å; L115-F134 HydrophobicContact CD1-CD1 4.46Å; L115-F134 HydrophobicContact CD2-CB 4.18Å; L115-F134 HydrophobicContact CD2-CD1 3.57Å; L115-F134 HydrophobicContact CD2-CE1 4.31Å; L115-F134 HydrophobicContact CD2-CG 4.15Å; L119-F134 HydrophobicContact CD2-CB 3.81Å; L119-F134 HydrophobicContact CD2-CD1 4.2Å; L119-F134 HydrophobicContact CD2-CD2 3.54Å; L119-F134 HydrophobicContact CD2-CE2 4.12Å; L119-F134 HydrophobicContact CD2-CG 3.6Å; V130-F134 HydrophobicContact CG1-CB 3.9Å; P131-F134 HydrophobicContact CB-CD2 3.91Å; P131-F134 HydrophobicContact CB-CE2 4.45Å; P131-F134 HydrophobicContact CG-CD2 3.91Å; P131-F134 HydrophobicContact CG-CE2 4.23Å; P131-F134 WeakPolarHBondContact O-CB 3.32Å; P131-F134 PolarHBondContact O-N 3.15Å; D132-F134 PolarHBondContact O-N 2.85Å; F134-Q136 PolarHBondContact O-N 3.43Å
135K98.4Very high98.2Very high55 Ų5538.6 Ų38.624%0.23922%0.224CC..SBendtrans-77.4-7.4-174.4-65.4-176.6179.8167.30114V130 D132 N199 I200V130-K135 HydrophobicContact CG1-CG 4.37Å; V130-K135 VanDerWaalsContact O-CE 3.25Å; V130-K135 WeakPolarHBondContact O-CE 3.42Å; D132-K135 WeakPolarHBondContact O-CB 3.25Å; D132-K135 PolarHBondContact O-N 3.22Å; D132-K135 WeakPolarHBondContact OD1-CE 3.06Å; D132-K135 IonicContact OD1-NZ 2.72Å; D132-K135 PolarHBondContact OD1-NZ 3.17Å; K135-N199 CarbonylContact O-C 3.44Å; K135-N199 WeakPolarHBondContact O-CA 3.41Å; K135-N199 WeakPolarHBondContact O-CB 3.42Å; K135-I200 HydrophobicContact CB-CG1 3.89Å; K135-I200 HydrophobicContact CG-CD1 4.22Å; K135-I200 HydrophobicContact CG-CG1 3.96Å; K135-I200 PolarHBondContact O-N 3Å
136Q98.2Very high98.1Very high81 Ų8142.7 Ų42.738%0.37924%0.238SC..EExtended strand (participates in β ladder)trans-139.8142.6174.560.9-178.1-1100110.1F134 V196 G198 N199F134-Q136 PolarHBondContact O-N 3.43Å; Q136-V196 HydrophobicContact CB-CG1 3.87Å; Q136-V196 HydrophobicContact CB-CG2 4.26Å; Q136-V196 HydrophobicContact CG-CG2 4.34Å; Q136-G198 WeakPolarHBondContact CA-O 3.48Å; Q136-N199 HydrophobicContact CB-CB 4.35Å
137W98.7Very high98.1Very high1 Ų142.5 Ų42.50%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-152.8169-17863.592.1000111.6F107 D112 L115 K116 T197 G198 I200F107-W137 HydrophobicContact CB-CB 4.13Å; F107-W137 WeakPolarHBondContact O-CA 3.13Å; D112-W137 HydrophobicContact CB-CZ2 4.12Å; D112-W137 PolarHBondContact OD1-NE1 3.5Å; L115-W137 HydrophobicContact CB-CD2 3.73Å; L115-W137 HydrophobicContact CB-CE3 3.47Å; L115-W137 VanDerWaalsContact CB-CE3 3.47Å; L115-W137 HydrophobicContact CB-CG 4.24Å; L115-W137 HydrophobicContact CB-CZ3 3.9Å; L115-W137 HydrophobicContact CD1-CB 3.56Å; L115-W137 HydrophobicContact CD1-CD2 4.22Å; L115-W137 HydrophobicContact CD1-CE3 4.24Å; L115-W137 HydrophobicContact CD1-CG 3.94Å; K116-W137 HydrophobicContact CB-CH2 3.63Å; K116-W137 HydrophobicContact CB-CZ2 3.63Å; K116-W137 HydrophobicContact CD-CZ2 4.42Å; K116-W137 HydrophobicContact CG-CH2 4.08Å; K116-W137 HydrophobicContact CG-CZ2 4.21Å; W137-T197 PolarHBondContact O-N 3.17Å; W137-G198 PolarHBondContact N-O 3.26Å; W137-G198 PolarHBondContact O-N 3.38Å; W137-G198 VanDerWaalsContact O-N 3.08Å; W137-I200 HydrophobicContact CH2-CG2 3.92Å; W137-I200 HydrophobicContact CZ3-CG1 4.43Å; W137-I200 HydrophobicContact CZ3-CG2 4.13Å
138I98.8Very high98Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-108.6116.2175.6-48.7-173.8000107.5F7 F10 A106 F107 V108 T109 L140 V143 L194 D195 T197F7-I138 HydrophobicContact CD2-CD1 4.23Å; F7-I138 HydrophobicContact CE2-CD1 4.05Å; F10-I138 HydrophobicContact CD1-CD1 4.28Å; F10-I138 HydrophobicContact CE1-CD1 3.97Å; A106-I138 HydrophobicContact CB-CD1 3.86Å; A106-I138 HydrophobicContact CB-CG1 4.08Å; F107-I138 PolarHBondContact O-N 2.72Å; V108-I138 WeakPolarHBondContact CA-O 3.44Å; V108-I138 HydrophobicContact CG2-CB 4.22Å; T109-I138 PolarHBondContact N-O 3.02Å; I138-L140 PolarHBondContact O-N 2.65Å; I138-V143 HydrophobicContact CG2-CG2 3.55Å; I138-L194 HydrophobicContact CD1-CB 3.83Å; I138-L194 HydrophobicContact CD1-CD2 4.12Å; I138-L194 HydrophobicContact CG2-CD2 4Å; I138-L194 HydrophobicContact CG2-CG 4.33Å; I138-D195 WeakPolarHBondContact CG1-O 3.37Å; I138-D195 WeakPolarHBondContact CG2-O 3.45Å; I138-T197 HydrophobicContact CG2-CG2 4.48Å
139N98.6Very high97.9Very high4 Ų443.6 Ų43.62%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-83109176.3179.8-19.9000108.6G111 D112 K141 Q142 V143 T197G111-N139 VanDerWaalsContact CA-OD1 3.29Å; G111-N139 WeakPolarHBondContact CA-OD1 3.35Å; G111-N139 PolarHBondContact N-OD1 3.12Å; D112-N139 WeakPolarHBondContact OD1-CB 3.47Å; D112-N139 PolarHBondContact OD1-ND2 3.34Å; D112-N139 PolarHBondContact OD2-ND2 2.87Å; N139-K141 PolarHBondContact O-N 2.91Å; N139-K141 VanDerWaalsContact O-N 3.12Å; N139-K141 VanDerWaalsContact OD1-CB 3.29Å; N139-K141 WeakPolarHBondContact OD1-CB 3.36Å; N139-K141 PolarHBondContact OD1-N 3.44Å; N139-Q142 HydrophobicContact CB-CG 4.18Å; N139-Q142 WeakPolarHBondContact O-CB 3.46Å; N139-Q142 PolarHBondContact O-N 3.21Å; N139-V143 PolarHBondContact O-N 3.2Å; N139-T197 VanDerWaalsContact CB-OG1 3.24Å; N139-T197 WeakPolarHBondContact CB-OG1 3.36Å; N139-T197 PolarHBondContact N-OG1 2.66Å
140L98.6Very high97.7Very high0 Ų042.7 Ų42.70%024%0.235CC..Hα-helixtrans-58.6-28.9-176.2-169.769.6000112.7V108 T109 I138 Q142 V143 Y144 M158 I180 I183 L184 L187V108-L140 HydrophobicContact CG1-CB 4.15Å; V108-L140 HydrophobicContact CG1-CD1 4.05Å; T109-L140 WeakPolarHBondContact O-CB 3.37Å; T109-L140 PolarHBondContact O-N 3.08Å; I138-L140 PolarHBondContact O-N 2.65Å; L140-Q142 VanDerWaalsContact C-N 3.3Å; L140-Q142 PolarHBondContact O-N 3.11Å; L140-V143 PolarHBondContact O-N 3.25Å; L140-Y144 WeakPolarHBondContact O-CB 3.49Å; L140-Y144 PolarHBondContact O-N 3.25Å; L140-M158 HydrophobicContact CD2-CE 3.88Å; L140-M158 HydrophobicContact CD2-SD 4.3Å; L140-M158 HydrophobicContact CG-CE 4.25Å; L140-M158 HydrophobicContact CG-SD 4.2Å; L140-I180 HydrophobicContact CD2-CB 4.35Å; L140-I180 HydrophobicContact CD2-CG2 3.63Å; L140-I183 HydrophobicContact CD1-CG2 4.32Å; L140-I183 HydrophobicContact CD2-CB 3.83Å; L140-I183 HydrophobicContact CD2-CD1 4.28Å; L140-I183 HydrophobicContact CD2-CG2 3.58Å; L140-I183 HydrophobicContact CG-CG2 4.06Å; L140-L184 HydrophobicContact CD1-CB 4.06Å; L140-L184 HydrophobicContact CD1-CD1 4.24Å; L140-L187 HydrophobicContact CD1-CD1 3.77Å; L140-L187 HydrophobicContact CG-CD1 4.3Å
141K98.6Very high97.6Very high35 Ų3546.9 Ų46.915%0.15225%0.252CS..Hα-helixtrans-65.2-34.6176.8-58-178.861.6172.90112.1N139 C145 F151 P152 F153 M158N139-K141 PolarHBondContact O-N 2.91Å; N139-K141 VanDerWaalsContact O-N 3.12Å; N139-K141 VanDerWaalsContact OD1-CB 3.29Å; N139-K141 WeakPolarHBondContact OD1-CB 3.36Å; N139-K141 PolarHBondContact OD1-N 3.44Å; K141-C145 WeakPolarHBondContact O-CB 3.49Å; K141-C145 PolarHBondContact O-N 2.59Å; K141-F151 HydrophobicContact CB-CE1 4.26Å; K141-F151 HydrophobicContact CB-CE2 4.15Å; K141-F151 HydrophobicContact CB-CZ 3.78Å; K141-F151 HydrophobicContact CD-CE1 4.47Å; K141-F151 VanDerWaalsContact CE-CE1 3.45Å; K141-P152 HydrophobicContact CB-CG 3.8Å; K141-P152 WeakPolarHBondContact CE-O 3.01Å; K141-P152 HydrophobicContact CG-CG 4.03Å; K141-P152 PolarHBondContact NZ-O 2.89Å; K141-P152 VanDerWaalsContact NZ-O 3.12Å; K141-P152 WeakPolarHBondContact O-CD 3.49Å; K141-F153 PolarHBondContact NZ-O 2.95Å; K141-M158 HydrophobicContact CG-CE 4.1Å; K141-M158 HydrophobicContact CG-SD 4.32Å
142Q98.4Very high97.5Very high60 Ų6045.8 Ų45.828%0.2825%0.245SC..Hα-helixtrans-71.6-43.2175-65.4-17445.400110.9N139 L140 Y144 C145 N146 F151 T197N139-Q142 HydrophobicContact CB-CG 4.18Å; N139-Q142 WeakPolarHBondContact O-CB 3.46Å; N139-Q142 PolarHBondContact O-N 3.21Å; L140-Q142 VanDerWaalsContact C-N 3.3Å; L140-Q142 PolarHBondContact O-N 3.11Å; Q142-Y144 VanDerWaalsContact C-N 3.32Å; Q142-Y144 PolarHBondContact O-N 3.44Å; Q142-C145 WeakPolarHBondContact O-CB 3.34Å; Q142-C145 PolarHBondContact O-N 3.49Å; Q142-N146 VanDerWaalsContact O-CG 3.22Å; Q142-N146 PolarHBondContact O-N 3.3Å; Q142-N146 PolarHBondContact O-ND2 3.34Å; Q142-N146 PolarHBondContact O-OD1 2.82Å; Q142-F151 HydrophobicContact CG-CE2 4.15Å; Q142-T197 HydrophobicContact CB-CG2 4.23Å
143V98.4Very high97.4Very high10 Ų1050.1 Ų50.16%0.06126%0.26CS..Hα-helixtrans-59.1-46.5175.1-174.90000110.4I138 N139 L140 C145 N146 V147 L187 A192 L194I138-V143 HydrophobicContact CG2-CG2 3.55Å; N139-V143 PolarHBondContact O-N 3.2Å; L140-V143 PolarHBondContact O-N 3.25Å; V143-C145 PolarHBondContact O-N 3.07Å; V143-N146 PolarHBondContact O-N 3.19Å; V143-V147 WeakPolarHBondContact O-CG2 3.43Å; V143-V147 PolarHBondContact O-N 3.23Å; V143-V147 VanDerWaalsContact O-N 3.17Å; V143-L187 HydrophobicContact CB-CD1 4.31Å; V143-L187 HydrophobicContact CG1-CB 4.39Å; V143-L187 HydrophobicContact CG1-CD1 4.01Å; V143-A192 HydrophobicContact CG1-CB 3.84Å; V143-L194 HydrophobicContact CG1-CD1 4.09Å; V143-L194 HydrophobicContact CG1-CG 4.17Å; V143-L194 HydrophobicContact CG2-CD2 4.47Å; V143-L194 HydrophobicContact CG2-CG 4.15Å
144Y98.5Very high97.3Very high14 Ų1450.7 Ų50.76%0.05527%0.269CS..Hα-helixtrans-56.9-48.1174.8-179-79000111.5L140 Q142 N146 V147 M148 Q150 P152 M158 G161 L162 L187L140-Y144 WeakPolarHBondContact O-CB 3.49Å; L140-Y144 PolarHBondContact O-N 3.25Å; Q142-Y144 VanDerWaalsContact C-N 3.32Å; Q142-Y144 PolarHBondContact O-N 3.44Å; Y144-N146 VanDerWaalsContact C-N 3.28Å; Y144-N146 PolarHBondContact O-N 2.94Å; Y144-V147 PolarHBondContact O-N 3.27Å; Y144-M148 HydrophobicContact CD1-CB 4.01Å; Y144-M148 HydrophobicContact CD1-CG 4.09Å; Y144-M148 HydrophobicContact CD2-CG 3.99Å; Y144-M148 HydrophobicContact CE1-CB 3.62Å; Y144-M148 HydrophobicContact CE1-CG 3.84Å; Y144-M148 HydrophobicContact CE2-CB 4.43Å; Y144-M148 HydrophobicContact CE2-CG 3.74Å; Y144-M148 HydrophobicContact CG-CG 4.16Å; Y144-M148 WeakPolarHBondContact O-CB 3.43Å; Y144-M148 WeakPolarHBondContact O-CG 3.14Å; Y144-M148 PolarHBondContact O-N 2.88Å; Y144-Q150 VanDerWaalsContact CD1-O 3.3Å; Y144-Q150 WeakPolarHBondContact CD1-O 3.29Å; Y144-Q150 WeakPolarHBondContact CE1-O 3.33Å; Y144-P152 HydrophobicContact CD1-CB 3.95Å; Y144-P152 HydrophobicContact CD1-CG 3.71Å; Y144-P152 HydrophobicContact CE1-CB 4.08Å; Y144-P152 HydrophobicContact CE1-CG 4.35Å; Y144-P152 HydrophobicContact CG-CB 4.45Å; Y144-P152 HydrophobicContact CG-CG 4.02Å; Y144-M158 HydrophobicContact CD1-CG 4.33Å; Y144-M158 HydrophobicContact CD2-CB 3.68Å; Y144-M158 HydrophobicContact CD2-CG 3.49Å; Y144-M158 VanDerWaalsContact CD2-CG 3.49Å; Y144-M158 HydrophobicContact CD2-SD 3.96Å; Y144-M158 HydrophobicContact CE2-CB 3.78Å; Y144-M158 HydrophobicContact CE2-CG 3.89Å; Y144-M158 HydrophobicContact CG-CB 4.43Å; Y144-M158 HydrophobicContact CG-CG 3.74Å; Y144-M158 HydrophobicContact CG-SD 3.92Å; Y144-G161 WeakPolarHBondContact OH-CA 3.44Å; Y144-L162 HydrophobicContact CD2-CD1 4.13Å; Y144-L162 HydrophobicContact CD2-CG 4.44Å; Y144-L162 HydrophobicContact CE2-CD1 4.05Å; Y144-L162 HydrophobicContact CE2-CG 3.91Å; Y144-L187 HydrophobicContact CD2-CD2 4.12Å
145C97.9Very high97.3Very high34 Ų3451.2 Ų51.223%0.2327%0.271CS..Hα-helixtrans-59-39.9179-171.30000112.2K141 Q142 V143 V147 G149 F151K141-C145 WeakPolarHBondContact O-CB 3.49Å; K141-C145 PolarHBondContact O-N 2.59Å; Q142-C145 WeakPolarHBondContact O-CB 3.34Å; Q142-C145 PolarHBondContact O-N 3.49Å; V143-C145 PolarHBondContact O-N 3.07Å; C145-V147 VanDerWaalsContact C-N 3.32Å; C145-V147 PolarHBondContact O-N 2.95Å; C145-G149 VanDerWaalsContact O-CA 3.27Å; C145-G149 WeakPolarHBondContact O-CA 3.35Å; C145-G149 PolarHBondContact O-N 3.47Å; C145-F151 HydrophobicContact CB-CB 4.4Å; C145-F151 HydrophobicContact CB-CD2 3.83Å
146N97Very high97.2Very high134 Ų13452.9 Ų52.972%0.71728%0.281SS*.Hα-helixtrans-67-32.7179.8-66.9-14.3000112.6Q142 V143 Y144Q142-N146 VanDerWaalsContact O-CG 3.22Å; Q142-N146 PolarHBondContact O-N 3.3Å; Q142-N146 PolarHBondContact O-ND2 3.34Å; Q142-N146 PolarHBondContact O-OD1 2.82Å; V143-N146 PolarHBondContact O-N 3.19Å; Y144-N146 VanDerWaalsContact C-N 3.28Å; Y144-N146 PolarHBondContact O-N 2.94Å
147V96.5Very high97.2Very high46 Ų4651 Ų5128%0.27928%0.276SS..Hα-helixtrans-86.5-44.4-179.7178.40000111.7V143 Y144 C145 L187 C190 A192V143-V147 WeakPolarHBondContact O-CG2 3.43Å; V143-V147 PolarHBondContact O-N 3.23Å; V143-V147 VanDerWaalsContact O-N 3.17Å; Y144-V147 PolarHBondContact O-N 3.27Å; C145-V147 VanDerWaalsContact C-N 3.32Å; C145-V147 PolarHBondContact O-N 2.95Å; V147-L187 HydrophobicContact CB-CD2 3.94Å; V147-L187 HydrophobicContact CG1-CD2 4.09Å; V147-L187 HydrophobicContact CG2-CD2 4.11Å; V147-C190 HydrophobicContact CG1-CB 3.65Å; V147-A192 HydrophobicContact CG2-CB 3.65Å
148M95.7Very high97.2Very high77 Ų7750.9 Ų50.938%0.37928%0.276SS..Hα-helixtrans-98.4-7.7-169.2-55.7-56.7-6900113.3Y144 Q150 L162 L187Y144-M148 HydrophobicContact CD1-CB 4.01Å; Y144-M148 HydrophobicContact CD1-CG 4.09Å; Y144-M148 HydrophobicContact CD2-CG 3.99Å; Y144-M148 HydrophobicContact CE1-CB 3.62Å; Y144-M148 HydrophobicContact CE1-CG 3.84Å; Y144-M148 HydrophobicContact CE2-CB 4.43Å; Y144-M148 HydrophobicContact CE2-CG 3.74Å; Y144-M148 HydrophobicContact CG-CG 4.16Å; Y144-M148 WeakPolarHBondContact O-CB 3.43Å; Y144-M148 WeakPolarHBondContact O-CG 3.14Å; Y144-M148 PolarHBondContact O-N 2.88Å; M148-Q150 PolarHBondContact O-N 2.74Å; M148-L162 HydrophobicContact CE-CD2 4.01Å; M148-L162 HydrophobicContact CG-CD2 4.41Å; M148-L162 HydrophobicContact SD-CD2 3.79Å; M148-L187 HydrophobicContact CG-CD2 4.38Å
149G95.4Very high97.2Very high71 Ų7151 Ų5173%0.73228%0.277SS*.SBendtrans74.72.4178.100000115.4C145C145-G149 VanDerWaalsContact O-CA 3.27Å; C145-G149 WeakPolarHBondContact O-CA 3.35Å; C145-G149 PolarHBondContact O-N 3.47Å
150Q94.2Very high97.2Very high129 Ų12955 Ų5560%0.60331%0.305SS*.SBendtrans-135.8132179.8-176.5178.3-100111.1Y144 M148Y144-Q150 VanDerWaalsContact CD1-O 3.3Å; Y144-Q150 WeakPolarHBondContact CD1-O 3.29Å; Y144-Q150 WeakPolarHBondContact CE1-O 3.33Å; M148-Q150 PolarHBondContact O-N 2.74Å
151F95.8Very high97.1Very high106 Ų10656.6 Ų56.647%0.46532%0.321SS..  trans-72.8126.6175.9-160.3-92.4000110.6K141 Q142 C145K141-F151 HydrophobicContact CB-CE1 4.26Å; K141-F151 HydrophobicContact CB-CE2 4.15Å; K141-F151 HydrophobicContact CB-CZ 3.78Å; K141-F151 HydrophobicContact CD-CE1 4.47Å; K141-F151 VanDerWaalsContact CE-CE1 3.45Å; Q142-F151 HydrophobicContact CG-CE2 4.15Å; C145-F151 HydrophobicContact CB-CB 4.4Å; C145-F151 HydrophobicContact CB-CD2 3.83Å
152P96.9Very high97.1Very high3 Ų356 Ų562%0.01932%0.319CS..  trans-82.8155.1-174.332.7-33.2000111.8K141 Y144 M158K141-P152 HydrophobicContact CB-CG 3.8Å; K141-P152 WeakPolarHBondContact CE-O 3.01Å; K141-P152 HydrophobicContact CG-CG 4.03Å; K141-P152 PolarHBondContact NZ-O 2.89Å; K141-P152 VanDerWaalsContact NZ-O 3.12Å; K141-P152 WeakPolarHBondContact O-CD 3.49Å; Y144-P152 HydrophobicContact CD1-CB 3.95Å; Y144-P152 HydrophobicContact CD1-CG 3.71Å; Y144-P152 HydrophobicContact CE1-CB 4.08Å; Y144-P152 HydrophobicContact CE1-CG 4.35Å; Y144-P152 HydrophobicContact CG-CB 4.45Å; Y144-P152 HydrophobicContact CG-CG 4.02Å; P152-M158 HydrophobicContact CB-CG 3.39Å; P152-M158 HydrophobicContact CB-SD 4.32Å; P152-M158 HydrophobicContact CG-CG 3.46Å; P152-M158 VanDerWaalsContact CG-CG 3.46Å; P152-M158 HydrophobicContact CG-SD 3.71Å
153F94.2Very high97Very high183 Ų18360.4 Ų60.480%0.80335%0.345SS*.SBendtrans-70.1-38.6174.8-70.9-74.2000112.3K141K141-F153 PolarHBondContact NZ-O 2.95Å
154G95.7Very high97Very high22 Ų2261.7 Ų61.723%0.22735%0.351CS..SBendtrans-178.9-166.7-179.700000110.8M156 S157 M158G154-M156 PolarHBondContact O-N 3.01Å; G154-S157 WeakPolarHBondContact O-CB 3.42Å; G154-S157 PolarHBondContact O-N 3.26Å; G154-S157 VanDerWaalsContact O-N 3.17Å; G154-M158 PolarHBondContact O-N 2.88Å
155M97.9Very high97Very high11 Ų1169.6 Ų69.65%0.05439%0.386CS..Hα-helixtrans-55.1-48.8-176.2-174.5-17762.500112.8C110 S157 M158 L159 H170 D176 N179 I180 I183C110-M155 PolarHBondContact SG-N 3.49Å; M155-S157 VanDerWaalsContact C-N 3.27Å; M155-S157 PolarHBondContact O-N 3.24Å; M155-M158 WeakPolarHBondContact O-CB 3.36Å; M155-M158 PolarHBondContact O-N 3.35Å; M155-L159 HydrophobicContact CG-CD1 4.23Å; M155-L159 HydrophobicContact CG-CG 4.44Å; M155-L159 PolarHBondContact O-N 2.81Å; M155-H170 WeakPolarHBondContact CE-ND1 2.91Å; M155-D176 HydrophobicContact CE-CB 4.15Å; M155-D176 WeakPolarHBondContact CE-OD1 3.11Å; M155-D176 HydrophobicContact SD-CB 4.16Å; M155-N179 HydrophobicContact CE-CB 4.21Å; M155-N179 HydrophobicContact CG-CB 4.42Å; M155-N179 HydrophobicContact SD-CB 3.48Å; M155-N179 WeakPolarHBondContact SD-CB 3.1Å; M155-I180 HydrophobicContact CG-CG1 4.28Å; M155-I180 HydrophobicContact SD-CD1 4.48Å; M155-I180 HydrophobicContact SD-CG1 3.82Å; M155-I183 HydrophobicContact CG-CD1 3.8Å
156M98Very high97Very high89 Ų8970.1 Ų70.144%0.43839%0.385SS..Hα-helixtrans-59.8-35.6-179.5-64-57.8-73.600113.2G154 L159 S160 H166G154-M156 PolarHBondContact O-N 3.01Å; M156-L159 HydrophobicContact SD-CD1 4.03Å; M156-S160 WeakPolarHBondContact O-CB 3.39Å; M156-S160 PolarHBondContact O-N 2.76Å; M156-H166 HydrophobicContact CE-CB 4.07Å; M156-H166 HydrophobicContact SD-CB 4.28Å
157S97.9Very high97.1Very high41 Ų4167 Ų6729%0.28737%0.371SS..Hα-helixtrans-68.2-37.4175173.80000111.8G154 M155 G161G154-S157 WeakPolarHBondContact O-CB 3.42Å; G154-S157 PolarHBondContact O-N 3.26Å; G154-S157 VanDerWaalsContact O-N 3.17Å; M155-S157 VanDerWaalsContact C-N 3.27Å; M155-S157 PolarHBondContact O-N 3.24Å; S157-G161 PolarHBondContact O-N 3.37Å
158M98.6Very high97.1Very high0 Ų067.4 Ų67.40%038%0.384CS..Hα-helixtrans-69.4-43.5176.4-65.7-170.9-74.600111.8C110 L140 K141 Y144 P152 G154 M155 S160 G161 L162 I183C110-M158 WeakPolarHBondContact SG-CE 3.45Å; L140-M158 HydrophobicContact CD2-CE 3.88Å; L140-M158 HydrophobicContact CD2-SD 4.3Å; L140-M158 HydrophobicContact CG-CE 4.25Å; L140-M158 HydrophobicContact CG-SD 4.2Å; K141-M158 HydrophobicContact CG-CE 4.1Å; K141-M158 HydrophobicContact CG-SD 4.32Å; Y144-M158 HydrophobicContact CD1-CG 4.33Å; Y144-M158 HydrophobicContact CD2-CB 3.68Å; Y144-M158 HydrophobicContact CD2-CG 3.49Å; Y144-M158 VanDerWaalsContact CD2-CG 3.49Å; Y144-M158 HydrophobicContact CD2-SD 3.96Å; Y144-M158 HydrophobicContact CE2-CB 3.78Å; Y144-M158 HydrophobicContact CE2-CG 3.89Å; Y144-M158 HydrophobicContact CG-CB 4.43Å; Y144-M158 HydrophobicContact CG-CG 3.74Å; Y144-M158 HydrophobicContact CG-SD 3.92Å; P152-M158 HydrophobicContact CB-CG 3.39Å; P152-M158 HydrophobicContact CB-SD 4.32Å; P152-M158 HydrophobicContact CG-CG 3.46Å; P152-M158 VanDerWaalsContact CG-CG 3.46Å; P152-M158 HydrophobicContact CG-SD 3.71Å; G154-M158 PolarHBondContact O-N 2.88Å; M155-M158 WeakPolarHBondContact O-CB 3.36Å; M155-M158 PolarHBondContact O-N 3.35Å; M158-S160 PolarHBondContact O-N 3.39Å; M158-G161 PolarHBondContact O-N 2.87Å; M158-L162 WeakPolarHBondContact O-CB 3.41Å; M158-L162 WeakPolarHBondContact O-CG 3.34Å; M158-L162 PolarHBondContact O-N 3.14Å; M158-I183 HydrophobicContact CB-CD1 3.76Å; M158-I183 HydrophobicContact CB-CG1 4.21Å; M158-I183 HydrophobicContact CB-CG2 4.14Å; M158-I183 HydrophobicContact CE-CD1 4.14Å; M158-I183 HydrophobicContact SD-CG2 4.27Å
159L98.6Very high97.1Very high3 Ų369.4 Ų69.42%0.01639%0.388CS..Hα-helixtrans-56.7-50.2175-72.7172.4000111.1M155 M156 L162 N163 I164 H166 N179 I183M155-L159 HydrophobicContact CG-CD1 4.23Å; M155-L159 HydrophobicContact CG-CG 4.44Å; M155-L159 PolarHBondContact O-N 2.81Å; M156-L159 HydrophobicContact SD-CD1 4.03Å; L159-L162 CarbonylContact O-C 3.56Å; L159-L162 PolarHBondContact O-N 2.97Å; L159-N163 PolarHBondContact O-N 3.39Å; L159-N163 VanDerWaalsContact O-N 3.11Å; L159-I164 HydrophobicContact CD2-CB 3.77Å; L159-I164 HydrophobicContact CD2-CG2 3.59Å; L159-I164 PolarHBondContact O-N 2.87Å; L159-H166 HydrophobicContact CD1-CB 3.88Å; L159-N179 HydrophobicContact CD1-CB 4.15Å; L159-N179 HydrophobicContact CD2-CB 4.36Å; L159-I183 HydrophobicContact CD2-CD1 3.91Å; L159-I183 HydrophobicContact CD2-CG1 3.68Å; L159-I183 HydrophobicContact CG-CD1 3.9Å; L159-I183 HydrophobicContact CG-CG1 4.14Å
160S97.6Very high97.2Very high88 Ų8869.1 Ų69.162%0.61537%0.367SS*.Hα-helixtrans-59.3-48.5178.2-176.90000112M156 M158 L162 N163M156-S160 WeakPolarHBondContact O-CB 3.39Å; M156-S160 PolarHBondContact O-N 2.76Å; M158-S160 PolarHBondContact O-N 3.39Å; S160-L162 PolarHBondContact O-N 3.11Å; S160-N163 PolarHBondContact O-N 3.07Å
161G97.6Very high97.2Very high32 Ų3266 Ų6633%0.3335%0.352SS..Hα-helixtrans-65.8-23.2-179.300000114.7Y144 S157 M158Y144-G161 WeakPolarHBondContact OH-CA 3.44Å; S157-G161 PolarHBondContact O-N 3.37Å; M158-G161 PolarHBondContact O-N 2.87Å
162L97.8Very high97.3Very high22 Ų2261.7 Ų61.712%0.11534%0.336CS..THydrogen-bonded Turntrans-96.84.1174.3-66.9166.5000113.3Y144 M148 M158 L159 S160 I164 I183 E186 L187Y144-L162 HydrophobicContact CD2-CD1 4.13Å; Y144-L162 HydrophobicContact CD2-CG 4.44Å; Y144-L162 HydrophobicContact CE2-CD1 4.05Å; Y144-L162 HydrophobicContact CE2-CG 3.91Å; M148-L162 HydrophobicContact CE-CD2 4.01Å; M148-L162 HydrophobicContact CG-CD2 4.41Å; M148-L162 HydrophobicContact SD-CD2 3.79Å; M158-L162 WeakPolarHBondContact O-CB 3.41Å; M158-L162 WeakPolarHBondContact O-CG 3.34Å; M158-L162 PolarHBondContact O-N 3.14Å; L159-L162 CarbonylContact O-C 3.56Å; L159-L162 PolarHBondContact O-N 2.97Å; S160-L162 PolarHBondContact O-N 3.11Å; L162-I164 HydrophobicContact CB-CD1 3.78Å; L162-I164 HydrophobicContact CB-CG1 3.85Å; L162-I164 HydrophobicContact CD1-CD1 4.11Å; L162-I164 PolarHBondContact O-N 3.26Å; L162-I183 HydrophobicContact CD1-CB 4.34Å; L162-I183 HydrophobicContact CD1-CG1 4.45Å; L162-I183 HydrophobicContact CD1-CG2 3.71Å; L162-E186 HydrophobicContact CD1-CB 4.42Å; L162-E186 HydrophobicContact CD2-CG 4.26Å; L162-L187 HydrophobicContact CD1-CD2 4.15Å; L162-L187 HydrophobicContact CD1-CG 4.23Å; L162-L187 HydrophobicContact CD2-CD2 4.26Å
163N97.7Very high97.4Very high154 Ų15461.6 Ų61.682%0.82434%0.335SS*.THydrogen-bonded Turntrans54.435.2-173.9-58.8-65.5000113.6L159 S160L159-N163 PolarHBondContact O-N 3.39Å; L159-N163 VanDerWaalsContact O-N 3.11Å; S160-N163 PolarHBondContact O-N 3.07Å
164I98.3Very high97.6Very high37 Ų3754.1 Ų54.119%0.1930%0.303CS..PPolyproline II helixtrans-95.8125.9175.5-56.6172.4000108.3L159 L162 H166 N182 I183 E186L159-I164 HydrophobicContact CD2-CB 3.77Å; L159-I164 HydrophobicContact CD2-CG2 3.59Å; L159-I164 PolarHBondContact O-N 2.87Å; L162-I164 HydrophobicContact CB-CD1 3.78Å; L162-I164 HydrophobicContact CB-CG1 3.85Å; L162-I164 HydrophobicContact CD1-CD1 4.11Å; L162-I164 PolarHBondContact O-N 3.26Å; I164-H166 PolarHBondContact O-N 3.42Å; I164-N182 HydrophobicContact CG2-CB 4.23Å; I164-I183 HydrophobicContact CD1-CG1 4.45Å; I164-E186 HydrophobicContact CD1-CB 3.86Å; I164-E186 HydrophobicContact CD1-CG 4.26Å
165K98Very high97.8Very high179 Ų17955.3 Ų55.378%0.77830%0.304SS*.PPolyproline II helixtrans-71.6128.9174.6-176.4-179.9175.4-1770109.9
166H98.2Very high97.8Very high45 Ų4555 Ų5521%0.20830%0.303CS..PPolyproline II helixtrans-60.6135.3169.7177.5-94.9000111.2M156 L159 I164 G168 N179M156-H166 HydrophobicContact CE-CB 4.07Å; M156-H166 HydrophobicContact SD-CB 4.28Å; L159-H166 HydrophobicContact CD1-CB 3.88Å; I164-H166 PolarHBondContact O-N 3.42Å; H166-G168 PolarHBondContact CE1-O 3.41Å; H166-G168 VanDerWaalsContact CE1-O 3.23Å; H166-N179 WeakPolarHBondContact CA-OD1 3.16Å
167T97.8Very high97.8Very high69 Ų6950.8 Ų50.842%0.42328%0.282SS..  trans-120.5150175.753.70000111.1N179T167-N179 PolarHBondContact N-OD1 3.05Å; T167-N179 VanDerWaalsContact N-OD1 3.09Å; T167-N179 PolarHBondContact O-ND2 2.9Å
168G97.1Very high97.9Very high55 Ų5552.2 Ų52.257%0.56728%0.284SS*.SBendtrans75-153179.800000112.7H166 D175H166-G168 PolarHBondContact CE1-O 3.41Å; H166-G168 VanDerWaalsContact CE1-O 3.23Å; G168-D175 WeakPolarHBondContact CA-OD2 3.25Å
169R96.4Very high97.9Very high118 Ų11852.2 Ų52.245%0.44528%0.284SS..  trans-110.9125.6-177.8170.8169.7-178.967.87110.3E67 L68 S172 D175E67-R169 PolarHBondContact O-NH2 2.94Å; L68-R169 PolarHBondContact O-NH2 2.85Å; R169-S172 WeakPolarHBondContact O-CB 3.14Å; R169-S172 PolarHBondContact O-N 2.87Å; R169-S172 VanDerWaalsContact O-N 3.14Å; R169-D175 PolarHBondContact N-OD2 3.39Å; R169-D175 WeakPolarHBondContact O-CB 3.29Å
170H96.2Very high97.9Very high66 Ų6652 Ų5231%0.30628%0.283SS..THydrogen-bonded Turntrans-63.4139.1171.6-168.526.2000110.3M155 S172 D176M155-H170 WeakPolarHBondContact CE-ND1 2.91Å; H170-S172 PolarHBondContact O-N 3.39Å; H170-D176 WeakPolarHBondContact CA-OD1 3.17Å; H170-D176 IonicContact CE1-OD2 2.75Å; H170-D176 PolarHBondContact CE1-OD2 3.09Å; H170-D176 IonicContact ND1-OD1 3.01Å; H170-D176 PolarHBondContact ND1-OD1 2.73Å; H170-D176 IonicContact ND1-OD2 3.76Å; H170-D176 PolarHBondContact ND1-OD2 3.27Å
171H95.5Very high98Very high62 Ų6247.9 Ų47.929%0.28725%0.254SS..THydrogen-bonded Turntrans69.312.5-172.5-52.8-60.2000114.9E16 L68 T69 D176E16-H171 WeakPolarHBondContact CG-O 3.42Å; E16-H171 VanDerWaalsContact OE1-C 3.25Å; E16-H171 WeakPolarHBondContact OE1-CA 3.3Å; E16-H171 VanDerWaalsContact OE1-O 3.12Å; L68-H171 HydrophobicContact CD1-CB 4.47Å; L68-H171 WeakPolarHBondContact CD1-CD2 3.25Å; L68-H171 HydrophobicContact CG-CB 4.23Å; L68-H171 WeakPolarHBondContact O-CB 3.44Å; T69-H171 CarbonylContact C-O 3.59Å; T69-H171 WeakPolarHBondContact CA-O 3.43Å; T69-H171 WeakPolarHBondContact CB-O 3.43Å; H171-D176 WeakPolarHBondContact CA-OD2 3.28Å; H171-D176 PolarHBondContact N-OD1 2.92Å; H171-D176 PolarHBondContact N-OD2 3.15Å
172S98.1Very high98Very high17 Ų1748.9 Ų48.912%0.11925%0.252CS..  trans-90.3116.7153.81740000106.9R169 H170 I174 D175 D176R169-S172 WeakPolarHBondContact O-CB 3.14Å; R169-S172 PolarHBondContact O-N 2.87Å; R169-S172 VanDerWaalsContact O-N 3.14Å; H170-S172 PolarHBondContact O-N 3.39Å; S172-I174 PolarHBondContact O-N 2.68Å; S172-I174 VanDerWaalsContact O-N 3.15Å; S172-D175 PolarHBondContact O-N 3.09Å; S172-D176 PolarHBondContact O-N 2.99Å
173G98.3Very high98.1Very high0 Ų047.8 Ų47.80%025%0.246CC..Hα-helixtrans-59.1-36.3-169.900000112.5E32 P34 C177E32-G173 PolarHBondContact OE2-N 2.84Å; P34-G173 WeakPolarHBondContact CG-O 3.23Å; G173-C177 WeakPolarHBondContact O-CB 3.38Å; G173-C177 PolarHBondContact O-N 3.46Å; G173-C177 PolarHBondContact O-SG 3.13Å
174I98.7Very high98.1Very high26 Ų2640.5 Ų40.513%0.13321%0.207CC..Hα-helixtrans-68.3-39.8176.7-170.659.3000113E32 P34 L36 V48 H50 S172 C177 H178E32-I174 PolarHBondContact OE1-N 3.5Å; P34-I174 HydrophobicContact CB-CB 4.12Å; P34-I174 HydrophobicContact CB-CD1 3.91Å; L36-I174 HydrophobicContact CD2-CD1 3.91Å; V48-I174 HydrophobicContact CG1-CD1 4.07Å; H50-I174 HydrophobicContact CB-CD1 4.49Å; S172-I174 PolarHBondContact O-N 2.68Å; S172-I174 VanDerWaalsContact O-N 3.15Å; I174-C177 WeakPolarHBondContact O-CB 3.41Å; I174-C177 PolarHBondContact O-N 2.81Å; I174-H178 PolarHBondContact O-CD2 2.8Å; I174-H178 PolarHBondContact O-N 2.93Å; I174-H178 VanDerWaalsContact O-N 3.08Å
175D98.7Very high98.1Very high47 Ų4740 Ų4025%0.25120%0.203SC..Hα-helixtrans-70-41176.9-75.8-18.4000110.7G168 R169 S172 C177 H178 N179G168-D175 WeakPolarHBondContact CA-OD2 3.25Å; R169-D175 PolarHBondContact N-OD2 3.39Å; R169-D175 WeakPolarHBondContact O-CB 3.29Å; S172-D175 PolarHBondContact O-N 3.09Å; D175-C177 VanDerWaalsContact C-N 3.34Å; D175-C177 PolarHBondContact O-N 3.17Å; D175-H178 WeakPolarHBondContact O-CB 3.13Å; D175-H178 PolarHBondContact O-N 2.92Å; D175-H178 VanDerWaalsContact O-N 3.12Å; D175-N179 PolarHBondContact O-N 2.63Å; D175-N179 PolarHBondContact O-ND2 3.12Å
176D98.8Very high98.1Very high5 Ų534.3 Ų34.33%0.02718%0.179CC..Hα-helixtrans-63.3-41.4175.1-78.20.2000110.2D14 M155 H170 H171 S172 H178 N179 I180D14-D176 HydrophobicContact CB-CB 4.41Å; D14-D176 VanDerWaalsContact OD2-CB 3.24Å; D14-D176 WeakPolarHBondContact OD2-CB 3.45Å; M155-D176 HydrophobicContact CE-CB 4.15Å; M155-D176 WeakPolarHBondContact CE-OD1 3.11Å; M155-D176 HydrophobicContact SD-CB 4.16Å; H170-D176 WeakPolarHBondContact CA-OD1 3.17Å; H170-D176 IonicContact CE1-OD2 2.75Å; H170-D176 PolarHBondContact CE1-OD2 3.09Å; H170-D176 IonicContact ND1-OD1 3.01Å; H170-D176 PolarHBondContact ND1-OD1 2.73Å; H170-D176 IonicContact ND1-OD2 3.76Å; H170-D176 PolarHBondContact ND1-OD2 3.27Å; H171-D176 WeakPolarHBondContact CA-OD2 3.28Å; H171-D176 PolarHBondContact N-OD1 2.92Å; H171-D176 PolarHBondContact N-OD2 3.15Å; S172-D176 PolarHBondContact O-N 2.99Å; D176-H178 VanDerWaalsContact C-N 3.33Å; D176-H178 PolarHBondContact O-N 3.4Å; D176-N179 PolarHBondContact O-N 3Å; D176-N179 VanDerWaalsContact O-N 3.16Å; D176-I180 WeakPolarHBondContact O-CB 3.48Å; D176-I180 VanDerWaalsContact O-CG1 3.22Å; D176-I180 WeakPolarHBondContact O-CG1 3.22Å; D176-I180 PolarHBondContact O-N 3.12Å
177C98.9Very high98.1Very high0 Ų032.2 Ų32.20%017%0.169CC..Hα-helixtrans-56.1-43.4170-79.30000112.7V12 D14 L36 G173 I174 D175 I180 A181V12-C177 HydrophobicContact CG1-CB 4.18Å; V12-C177 WeakPolarHBondContact CG1-O 3.38Å; D14-C177 PolarHBondContact N-SG 3.3Å; L36-C177 HydrophobicContact CD1-CB 3.92Å; L36-C177 WeakPolarHBondContact CD1-O 3.49Å; L36-C177 HydrophobicContact CG-CB 3.95Å; G173-C177 WeakPolarHBondContact O-CB 3.38Å; G173-C177 PolarHBondContact O-N 3.46Å; G173-C177 PolarHBondContact O-SG 3.13Å; I174-C177 WeakPolarHBondContact O-CB 3.41Å; I174-C177 PolarHBondContact O-N 2.81Å; D175-C177 VanDerWaalsContact C-N 3.34Å; D175-C177 PolarHBondContact O-N 3.17Å; C177-I180 PolarHBondContact O-N 3.01Å; C177-A181 VanDerWaalsContact O-CB 3.24Å; C177-A181 WeakPolarHBondContact O-CB 3.19Å; C177-A181 PolarHBondContact O-N 3.35Å
178H98.8Very high98.1Very high71 Ų7129.4 Ų29.433%0.32915%0.152SC..Hα-helixtrans-64.1-40177-83.1-64.9000112.4L36 I174 D175 D176 A181 N182L36-H178 HydrophobicContact CD1-CB 4.45Å; I174-H178 PolarHBondContact O-CD2 2.8Å; I174-H178 PolarHBondContact O-N 2.93Å; I174-H178 VanDerWaalsContact O-N 3.08Å; D175-H178 WeakPolarHBondContact O-CB 3.13Å; D175-H178 PolarHBondContact O-N 2.92Å; D175-H178 VanDerWaalsContact O-N 3.12Å; D176-H178 VanDerWaalsContact C-N 3.33Å; D176-H178 PolarHBondContact O-N 3.4Å; H178-A181 WeakPolarHBondContact O-CB 3.5Å; H178-A181 PolarHBondContact O-N 2.79Å; H178-N182 VanDerWaalsContact O-CG 3.23Å; H178-N182 PolarHBondContact O-N 3.43Å; H178-N182 PolarHBondContact O-ND2 3.25Å
179N98.9Very high98Very high0 Ų034.1 Ų34.10%015%0.152CC..Hα-helixtrans-68.1-44.1175.9-75.3-76.7000112M155 L159 H166 T167 D175 D176 A181 N182 I183M155-N179 HydrophobicContact CE-CB 4.21Å; M155-N179 HydrophobicContact CG-CB 4.42Å; M155-N179 HydrophobicContact SD-CB 3.48Å; M155-N179 WeakPolarHBondContact SD-CB 3.1Å; L159-N179 HydrophobicContact CD1-CB 4.15Å; L159-N179 HydrophobicContact CD2-CB 4.36Å; H166-N179 WeakPolarHBondContact CA-OD1 3.16Å; T167-N179 PolarHBondContact N-OD1 3.05Å; T167-N179 VanDerWaalsContact N-OD1 3.09Å; T167-N179 PolarHBondContact O-ND2 2.9Å; D175-N179 PolarHBondContact O-N 2.63Å; D175-N179 PolarHBondContact O-ND2 3.12Å; D176-N179 PolarHBondContact O-N 3Å; D176-N179 VanDerWaalsContact O-N 3.16Å; N179-A181 VanDerWaalsContact C-N 3.3Å; N179-A181 PolarHBondContact O-N 3.35Å; N179-N182 WeakPolarHBondContact O-CB 3.41Å; N179-N182 PolarHBondContact O-N 3Å; N179-N182 VanDerWaalsContact O-N 3.12Å; N179-I183 WeakPolarHBondContact O-CG1 3.37Å; N179-I183 PolarHBondContact O-N 3.31Å
180I98.9Very high98Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-58.7-43173.6-68.9166.2000110.3V12 D14 C110 L140 M155 D176 C177 N182 I183 L184V12-I180 HydrophobicContact CG1-CB 3.73Å; V12-I180 HydrophobicContact CG1-CG2 3.39Å; V12-I180 HydrophobicContact CG2-CG2 4.44Å; D14-I180 HydrophobicContact CB-CD1 3.94Å; C110-I180 HydrophobicContact CB-CD1 3.62Å; C110-I180 HydrophobicContact CB-CG1 3.97Å; L140-I180 HydrophobicContact CD2-CB 4.35Å; L140-I180 HydrophobicContact CD2-CG2 3.63Å; M155-I180 HydrophobicContact CG-CG1 4.28Å; M155-I180 HydrophobicContact SD-CD1 4.48Å; M155-I180 HydrophobicContact SD-CG1 3.82Å; D176-I180 WeakPolarHBondContact O-CB 3.48Å; D176-I180 VanDerWaalsContact O-CG1 3.22Å; D176-I180 WeakPolarHBondContact O-CG1 3.22Å; D176-I180 PolarHBondContact O-N 3.12Å; C177-I180 PolarHBondContact O-N 3.01Å; I180-N182 VanDerWaalsContact C-N 3.33Å; I180-N182 PolarHBondContact O-N 2.87Å; I180-I183 PolarHBondContact O-N 3.46Å; I180-L184 WeakPolarHBondContact O-CB 3.36Å; I180-L184 PolarHBondContact O-N 3Å
181A98.9Very high97.9Very high0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-60.9-40.4174.900000112.3V12 L36 I38 C177 H178 N179 L184 R185V12-A181 HydrophobicContact CG2-CB 4.33Å; L36-A181 HydrophobicContact CD1-CB 4Å; I38-A181 HydrophobicContact CD1-CB 3.47Å; I38-A181 VanDerWaalsContact CD1-CB 3.47Å; C177-A181 VanDerWaalsContact O-CB 3.24Å; C177-A181 WeakPolarHBondContact O-CB 3.19Å; C177-A181 PolarHBondContact O-N 3.35Å; H178-A181 WeakPolarHBondContact O-CB 3.5Å; H178-A181 PolarHBondContact O-N 2.79Å; N179-A181 VanDerWaalsContact C-N 3.3Å; N179-A181 PolarHBondContact O-N 3.35Å; A181-L184 PolarHBondContact O-N 2.99Å; A181-R185 WeakPolarHBondContact O-CG 3.5Å; A181-R185 PolarHBondContact O-N 3.36Å
182N98.8Very high97.9Very high53 Ų5328.2 Ų28.228%0.28315%0.151SC..Hα-helixtrans-66-41.4176.6-69.3-24000112I164 H178 N179 I180 R185 E186I164-N182 HydrophobicContact CG2-CB 4.23Å; H178-N182 VanDerWaalsContact O-CG 3.23Å; H178-N182 PolarHBondContact O-N 3.43Å; H178-N182 PolarHBondContact O-ND2 3.25Å; N179-N182 WeakPolarHBondContact O-CB 3.41Å; N179-N182 PolarHBondContact O-N 3Å; N179-N182 VanDerWaalsContact O-N 3.12Å; I180-N182 VanDerWaalsContact C-N 3.33Å; I180-N182 PolarHBondContact O-N 2.87Å; N182-R185 PolarHBondContact O-N 2.94Å; N182-R185 PolarHBondContact OD1-NH1 3.14Å; N182-E186 PolarHBondContact O-N 3.09Å; N182-E186 VanDerWaalsContact O-N 3.11Å
183I98.8Very high97.8Very high0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-60.6-49.5172.8-65.3157.5000110.4L140 M155 M158 L159 L162 I164 N179 I180 R185 E186 L187L140-I183 HydrophobicContact CD1-CG2 4.32Å; L140-I183 HydrophobicContact CD2-CB 3.83Å; L140-I183 HydrophobicContact CD2-CD1 4.28Å; L140-I183 HydrophobicContact CD2-CG2 3.58Å; L140-I183 HydrophobicContact CG-CG2 4.06Å; M155-I183 HydrophobicContact CG-CD1 3.8Å; M158-I183 HydrophobicContact CB-CD1 3.76Å; M158-I183 HydrophobicContact CB-CG1 4.21Å; M158-I183 HydrophobicContact CB-CG2 4.14Å; M158-I183 HydrophobicContact CE-CD1 4.14Å; M158-I183 HydrophobicContact SD-CG2 4.27Å; L159-I183 HydrophobicContact CD2-CD1 3.91Å; L159-I183 HydrophobicContact CD2-CG1 3.68Å; L159-I183 HydrophobicContact CG-CD1 3.9Å; L159-I183 HydrophobicContact CG-CG1 4.14Å; L162-I183 HydrophobicContact CD1-CB 4.34Å; L162-I183 HydrophobicContact CD1-CG1 4.45Å; L162-I183 HydrophobicContact CD1-CG2 3.71Å; I164-I183 HydrophobicContact CD1-CG1 4.45Å; N179-I183 WeakPolarHBondContact O-CG1 3.37Å; N179-I183 PolarHBondContact O-N 3.31Å; I180-I183 PolarHBondContact O-N 3.46Å; I183-R185 VanDerWaalsContact C-N 3.34Å; I183-R185 PolarHBondContact O-N 3.33Å; I183-E186 PolarHBondContact O-N 3.29Å; I183-E186 VanDerWaalsContact O-N 3.15Å; I183-L187 HydrophobicContact CG2-CD1 3.72Å; I183-L187 HydrophobicContact CG2-CG 4.12Å; I183-L187 WeakPolarHBondContact O-CG 3.39Å; I183-L187 PolarHBondContact O-N 2.82Å
184L98.7Very high97.8Very high0 Ų031.9 Ų31.90%017%0.173CC..Hα-helixtrans-54.4-49.4179170.461.4000111.9F10 V12 I38 V108 L140 I180 A181 E186 L187 I188 L194F10-L184 HydrophobicContact CB-CD2 3.79Å; F10-L184 HydrophobicContact CD2-CD2 4.17Å; F10-L184 HydrophobicContact CG-CD2 4.09Å; V12-L184 HydrophobicContact CG2-CD2 3.73Å; I38-L184 HydrophobicContact CD1-CD2 4.08Å; V108-L184 HydrophobicContact CG1-CD2 4.45Å; V108-L184 HydrophobicContact CG2-CD2 4.25Å; L140-L184 HydrophobicContact CD1-CB 4.06Å; L140-L184 HydrophobicContact CD1-CD1 4.24Å; I180-L184 WeakPolarHBondContact O-CB 3.36Å; I180-L184 PolarHBondContact O-N 3Å; A181-L184 PolarHBondContact O-N 2.99Å; L184-E186 VanDerWaalsContact C-N 3.3Å; L184-E186 PolarHBondContact O-N 2.72Å; L184-L187 PolarHBondContact O-N 2.81Å; L184-I188 HydrophobicContact CD1-CD1 3.8Å; L184-I188 HydrophobicContact CD1-CG1 4.26Å; L184-I188 HydrophobicContact CG-CD1 4.1Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 3.34Å; L184-L194 HydrophobicContact CD1-CD1 4.1Å; L184-L194 HydrophobicContact CD1-CD2 3.25Å; L184-L194 HydrophobicContact CD1-CG 4.3Å
185R98.2Very high97.7Very high27 Ų2734.2 Ų34.210%0.10219%0.185CC..Hα-helixtrans-57.9-44.9178.2-71.3168.5178126.77.1111.3L43 T45 A181 N182 I183 I188 R189L43-R185 HydrophobicContact CB-CG 4.22Å; L43-R185 PolarHBondContact O-NE 2.99Å; T45-R185 PolarHBondContact OG1-NH2 2.99Å; A181-R185 WeakPolarHBondContact O-CG 3.5Å; A181-R185 PolarHBondContact O-N 3.36Å; N182-R185 PolarHBondContact O-N 2.94Å; N182-R185 PolarHBondContact OD1-NH1 3.14Å; I183-R185 VanDerWaalsContact C-N 3.34Å; I183-R185 PolarHBondContact O-N 3.33Å; R185-I188 PolarHBondContact O-N 3.09Å; R185-R189 WeakPolarHBondContact O-CG 3.36Å; R185-R189 PolarHBondContact O-N 3.49Å
186E98.2Very high97.7Very high60 Ų6033.8 Ų33.828%0.2818%0.184SC..Hα-helixtrans-68.5-42.5-178.5-164.256.3-153.300111.8L162 I164 N182 I183 L184 I188 R189 C190L162-E186 HydrophobicContact CD1-CB 4.42Å; L162-E186 HydrophobicContact CD2-CG 4.26Å; I164-E186 HydrophobicContact CD1-CB 3.86Å; I164-E186 HydrophobicContact CD1-CG 4.26Å; N182-E186 PolarHBondContact O-N 3.09Å; N182-E186 VanDerWaalsContact O-N 3.11Å; I183-E186 PolarHBondContact O-N 3.29Å; I183-E186 VanDerWaalsContact O-N 3.15Å; L184-E186 VanDerWaalsContact C-N 3.3Å; L184-E186 PolarHBondContact O-N 2.72Å; E186-I188 VanDerWaalsContact C-N 3.29Å; E186-I188 PolarHBondContact O-N 2.88Å; E186-R189 CarbonylContact O-C 3.54Å; E186-R189 WeakPolarHBondContact O-CA 3.47Å; E186-R189 WeakPolarHBondContact O-CB 3.33Å; E186-R189 PolarHBondContact O-N 2.76Å; E186-R189 IonicContact OE2-CZ 3.99Å; E186-R189 IonicContact OE2-NH1 2.97Å; E186-R189 PolarHBondContact OE2-NH1 3.45Å; E186-C190 PolarHBondContact O-N 3.01Å; E186-C190 PolarHBondContact O-SG 2.85Å
187L98Very high97.6Very high0 Ų035.7 Ų35.70%020%0.196CC..Hα-helixtrans-58.3-41.5174-67.8174.4000111.8L140 V143 Y144 V147 M148 L162 I183 L184 R189 C190 G191 A192L140-L187 HydrophobicContact CD1-CD1 3.77Å; L140-L187 HydrophobicContact CG-CD1 4.3Å; V143-L187 HydrophobicContact CB-CD1 4.31Å; V143-L187 HydrophobicContact CG1-CB 4.39Å; V143-L187 HydrophobicContact CG1-CD1 4.01Å; Y144-L187 HydrophobicContact CD2-CD2 4.12Å; V147-L187 HydrophobicContact CB-CD2 3.94Å; V147-L187 HydrophobicContact CG1-CD2 4.09Å; V147-L187 HydrophobicContact CG2-CD2 4.11Å; M148-L187 HydrophobicContact CG-CD2 4.38Å; L162-L187 HydrophobicContact CD1-CD2 4.15Å; L162-L187 HydrophobicContact CD1-CG 4.23Å; L162-L187 HydrophobicContact CD2-CD2 4.26Å; I183-L187 HydrophobicContact CG2-CD1 3.72Å; I183-L187 HydrophobicContact CG2-CG 4.12Å; I183-L187 WeakPolarHBondContact O-CG 3.39Å; I183-L187 PolarHBondContact O-N 2.82Å; L184-L187 PolarHBondContact O-N 2.81Å; L187-R189 PolarHBondContact O-N 3.48Å; L187-C190 CarbonylContact O-C 3.58Å; L187-C190 WeakPolarHBondContact O-CB 3.37Å; L187-C190 PolarHBondContact O-N 3.32Å; L187-G191 PolarHBondContact O-N 2.74Å; L187-A192 HydrophobicContact CB-CB 4.11Å; L187-A192 WeakPolarHBondContact O-CB 3.47Å; L187-A192 PolarHBondContact O-N 2.88Å
188I97.7Very high97.6Very high11 Ų1136 Ų366%0.05620%0.2CC..Hα-helixtrans-64.4-39.9175.7-67.9167.7000111.4N3 F10 L43 L184 R185 E186 C190 G191 L194N3-I188 PolarHBondContact ND2-O 3.04Å; N3-I188 VanDerWaalsContact ND2-O 3.13Å; F10-I188 HydrophobicContact CD2-CD1 4.14Å; F10-I188 HydrophobicContact CE2-CD1 3.65Å; F10-I188 HydrophobicContact CZ-CD1 4.49Å; L43-I188 HydrophobicContact CD1-CB 4.41Å; L43-I188 HydrophobicContact CD1-CG2 4.09Å; L43-I188 HydrophobicContact CD2-CB 4.38Å; L43-I188 HydrophobicContact CD2-CD1 3.68Å; L43-I188 HydrophobicContact CD2-CG2 4.06Å; L184-I188 HydrophobicContact CD1-CD1 3.8Å; L184-I188 HydrophobicContact CD1-CG1 4.26Å; L184-I188 HydrophobicContact CG-CD1 4.1Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 3.34Å; R185-I188 PolarHBondContact O-N 3.09Å; E186-I188 VanDerWaalsContact C-N 3.29Å; E186-I188 PolarHBondContact O-N 2.88Å; I188-C190 VanDerWaalsContact C-N 3.31Å; I188-C190 PolarHBondContact O-N 2.65Å; I188-G191 WeakPolarHBondContact O-CA 3.41Å; I188-G191 PolarHBondContact O-N 3.12Å; I188-L194 HydrophobicContact CD1-CD1 4.08Å; I188-L194 HydrophobicContact CG1-CD1 3.6Å
189R95.4Very high97.5Very high153 Ų15338 Ų3858%0.57721%0.213SC*.Hα-helixtrans-64.5-35174.4-70.8178.1-168.5127.21.1112.3L43 R185 E186 L187 G191L43-R189 HydrophobicContact CD1-CG 4.36Å; R185-R189 WeakPolarHBondContact O-CG 3.36Å; R185-R189 PolarHBondContact O-N 3.49Å; E186-R189 CarbonylContact O-C 3.54Å; E186-R189 WeakPolarHBondContact O-CA 3.47Å; E186-R189 WeakPolarHBondContact O-CB 3.33Å; E186-R189 PolarHBondContact O-N 2.76Å; E186-R189 IonicContact OE2-CZ 3.99Å; E186-R189 IonicContact OE2-NH1 2.97Å; E186-R189 PolarHBondContact OE2-NH1 3.45Å; L187-R189 PolarHBondContact O-N 3.48Å; R189-G191 PolarHBondContact O-N 3.22Å
190C94.9Very high97.5Very high67 Ų6740 Ų4045%0.45322%0.223SC..THydrogen-bonded Turntrans-71.2-1.2170.8-63.80000113.6V147 E186 L187 I188V147-C190 HydrophobicContact CG1-CB 3.65Å; E186-C190 PolarHBondContact O-N 3.01Å; E186-C190 PolarHBondContact O-SG 2.85Å; L187-C190 CarbonylContact O-C 3.58Å; L187-C190 WeakPolarHBondContact O-CB 3.37Å; L187-C190 PolarHBondContact O-N 3.32Å; I188-C190 VanDerWaalsContact C-N 3.31Å; I188-C190 PolarHBondContact O-N 2.65Å
191G94.1Very high96.8Very high48 Ų4851.7 Ų51.750%0.49527%0.274SS..THydrogen-bonded Turntrans102.19.8174.900000115N3 L187 I188 R189 T193N3-G191 WeakPolarHBondContact ND2-CA 3.36Å; N3-G191 PolarHBondContact ND2-O 3.18Å; L187-G191 PolarHBondContact O-N 2.74Å; I188-G191 WeakPolarHBondContact O-CA 3.41Å; I188-G191 PolarHBondContact O-N 3.12Å; R189-G191 PolarHBondContact O-N 3.22Å; G191-T193 PolarHBondContact O-N 2.75Å
192A96.5Very high96.6Very high7 Ų754.3 Ų54.36%0.05829%0.287CS..PPolyproline II helixtrans-64.2123.5176.800000112.1N3 Q5 V143 V147 L187 L194N3-A192 VanDerWaalsContact ND2-C 3.28Å; N3-A192 PolarHBondContact ND2-N 3.23Å; N3-A192 PolarHBondContact ND2-O 2.76Å; Q5-A192 PolarHBondContact NE2-O 3.24Å; V143-A192 HydrophobicContact CG1-CB 3.84Å; V147-A192 HydrophobicContact CG2-CB 3.65Å; L187-A192 HydrophobicContact CB-CB 4.11Å; L187-A192 WeakPolarHBondContact O-CB 3.47Å; L187-A192 PolarHBondContact O-N 2.88Å; A192-L194 HydrophobicContact CB-CD1 3.98Å
193T95.9Very high96.5Very high93 Ų9354.3 Ų54.357%0.57129%0.288SS*.PPolyproline II helixtrans-97.8122.5162.3-53.90000107.9N3 G191N3-T193 PolarHBondContact OD1-OG1 3.48Å; G191-T193 PolarHBondContact O-N 2.75Å
194L97.4Very high96.4Very high2 Ų257.3 Ų57.31%0.0130%0.304CS..PPolyproline II helixtrans-90.7137.2-174.1-8578.9000111.7F10 V108 I138 V143 L184 I188 A192F10-L194 HydrophobicContact CD1-CD2 4.09Å; F10-L194 HydrophobicContact CE1-CB 3.68Å; F10-L194 HydrophobicContact CE1-CD2 3.72Å; F10-L194 HydrophobicContact CE1-CG 4.3Å; F10-L194 HydrophobicContact CE2-CD2 4.48Å; F10-L194 HydrophobicContact CZ-CB 3.71Å; F10-L194 HydrophobicContact CZ-CD1 4.46Å; F10-L194 HydrophobicContact CZ-CD2 3.94Å; F10-L194 HydrophobicContact CZ-CG 4.26Å; V108-L194 HydrophobicContact CG2-CD2 4.36Å; I138-L194 HydrophobicContact CD1-CB 3.83Å; I138-L194 HydrophobicContact CD1-CD2 4.12Å; I138-L194 HydrophobicContact CG2-CD2 4Å; I138-L194 HydrophobicContact CG2-CG 4.33Å; V143-L194 HydrophobicContact CG1-CD1 4.09Å; V143-L194 HydrophobicContact CG1-CG 4.17Å; V143-L194 HydrophobicContact CG2-CD2 4.47Å; V143-L194 HydrophobicContact CG2-CG 4.15Å; L184-L194 HydrophobicContact CD1-CD1 4.1Å; L184-L194 HydrophobicContact CD1-CD2 3.25Å; L184-L194 HydrophobicContact CD1-CG 4.3Å; I188-L194 HydrophobicContact CD1-CD1 4.08Å; I188-L194 HydrophobicContact CG1-CD1 3.6Å; A192-L194 HydrophobicContact CB-CD1 3.98Å
195D96.9Very high96.3Very high75 Ų7560.7 Ų60.740%0.40132%0.322SS..  trans-140.2165.1167.9-153.5-15.4000109.9K6 I138 T197K6-D195 WeakPolarHBondContact CD-OD1 3.42Å; K6-D195 IonicContact NZ-OD1 3.49Å; K6-D195 PolarHBondContact NZ-OD1 3.27Å; K6-D195 IonicContact NZ-OD2 2.74Å; K6-D195 PolarHBondContact NZ-OD2 2.77Å; I138-D195 WeakPolarHBondContact CG1-O 3.37Å; I138-D195 WeakPolarHBondContact CG2-O 3.45Å; D195-T197 WeakPolarHBondContact O-CG2 3.42Å; D195-T197 PolarHBondContact O-N 2.79Å
196V98.1Very high96.1Very high38 Ų3862.8 Ų62.823%0.2334%0.335CS..  trans-56.5129.3177.3171.40000110.5F7 Q136 G198F7-V196 HydrophobicContact CE2-CG2 4.49Å; F7-V196 HydrophobicContact CZ-CG2 4Å; Q136-V196 HydrophobicContact CB-CG1 3.87Å; Q136-V196 HydrophobicContact CB-CG2 4.26Å; Q136-V196 HydrophobicContact CG-CG2 4.34Å; V196-G198 WeakPolarHBondContact CG1-O 3.4Å
197T98.3Very high96Very high44 Ų4463 Ų6327%0.2734%0.339SS..  trans-121-10178.865.70000113.3W137 I138 N139 Q142 D195W137-T197 PolarHBondContact O-N 3.17Å; I138-T197 HydrophobicContact CG2-CG2 4.48Å; N139-T197 VanDerWaalsContact CB-OG1 3.24Å; N139-T197 WeakPolarHBondContact CB-OG1 3.36Å; N139-T197 PolarHBondContact N-OG1 2.66Å; Q142-T197 HydrophobicContact CB-CG2 4.23Å; D195-T197 WeakPolarHBondContact O-CG2 3.42Å; D195-T197 PolarHBondContact O-N 2.79Å
198G97.7Very high95.9Very high8 Ų867.5 Ų67.58%0.08236%0.363CS..EExtended strand (participates in β ladder)trans-139.6144.7179.300000110.8Q136 W137 V196Q136-G198 WeakPolarHBondContact CA-O 3.48Å; W137-G198 PolarHBondContact N-O 3.26Å; W137-G198 PolarHBondContact O-N 3.38Å; W137-G198 VanDerWaalsContact O-N 3.08Å; V196-G198 WeakPolarHBondContact CG1-O 3.4Å
199N98.1Very high95.7Very high111 Ų11171.8 Ų71.859%0.59439%0.387SS*.EExtended strand (participates in β ladder)trans-152161.5172.761.181.9000111.8K135 Q136K135-N199 CarbonylContact O-C 3.44Å; K135-N199 WeakPolarHBondContact O-CA 3.41Å; K135-N199 WeakPolarHBondContact O-CB 3.42Å; Q136-N199 HydrophobicContact CB-CB 4.35Å
200I97.5Very high95.8Very high43 Ų4365.1 Ų65.122%0.22137%0.371CS..  trans-124.2159.5164.957.6177.4000109.2K116 P120 V130 K135 W137K116-I200 HydrophobicContact CG-CG2 4.48Å; P120-I200 HydrophobicContact CB-CD1 4.4Å; P120-I200 HydrophobicContact CG-CD1 3.66Å; V130-I200 HydrophobicContact CG1-CD1 4.28Å; K135-I200 HydrophobicContact CB-CG1 3.89Å; K135-I200 HydrophobicContact CG-CD1 4.22Å; K135-I200 HydrophobicContact CG-CG1 3.96Å; K135-I200 PolarHBondContact O-N 3Å; W137-I200 HydrophobicContact CH2-CG2 3.92Å; W137-I200 HydrophobicContact CZ3-CG1 4.43Å; W137-I200 HydrophobicContact CZ3-CG2 4.13Å
201K83.8Confident95.8Very high245 Ų24564.9 Ų64.9100%1.06536%0.363SS*.  trans-840174.1-67.9-173.8177.7-176.90110.9

Retrieved 201 of 201 residues in 210.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).