G4VF81_SCHMA Loading...

Large ribosomal subunit protein eL27

AlphaFold DB , UniProt , Accession G4VF81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 143 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low53.3Low242 Ų242143.4 Ų143.4100%1.19278%0.781SS**  0820-63.5-162.9-179.800109.3R3M1-R3 PolarHBondContact O-N 2.9Å
2S43.3Very low56.2Low113 Ų113133 Ų13379%0.7972%0.724SS**  trans-65.8116.617131.90000107.8D4S2-D4 PolarHBondContact O-N 3.16Å
3R47.4Very low58.8Low248 Ų248133.3 Ų133.394%0.93671%0.708SS**  trans-57.6106.8175.4-71.7175.9176.2171.2-1.2108.1M1 G5M1-R3 PolarHBondContact O-N 2.9Å; R3-G5 PolarHBondContact O-N 3.13Å
4D43.6Very low61.3Low153 Ų153129.6 Ų129.682%0.81870%0.695SS**  trans-42.7112.7162.4-73.4-57.7000108.3S2 K6S2-D4 PolarHBondContact O-N 3.16Å; D4-K6 PolarHBondContact O-N 2.94Å
5G42.6Very low63.4Low78 Ų78122.3 Ų122.380%0.80466%0.662SS**  trans-66.183.2-176.700000109.2R3 T7R3-G5 PolarHBondContact O-N 3.13Å; G5-T7 PolarHBondContact O-N 3.4Å
6K42.1Very low65.4Low186 Ų186115.6 Ų115.681%0.80963%0.626SS**  trans-37.4127.9170.2-77.3176.7175.51770108.8D4 A8D4-K6 PolarHBondContact O-N 2.94Å; K6-A8 PolarHBondContact O-N 3.19Å
7T44Very low67.3Low150 Ų150108.8 Ų108.892%0.9259%0.589SS**  trans-48.350.9160.532.70000113G5 V9G5-T7 PolarHBondContact O-N 3.4Å; T7-V9 PolarHBondContact O-N 2.99Å
8A56.3Low69Low82 Ų82102.7 Ų102.768%0.67856%0.557SS**  trans-84.4106.8170.800000107.1K6 R10K6-A8 PolarHBondContact O-N 3.19Å; A8-R10 PolarHBondContact O-N 3.2Å
9V64.8Low70.5Confident108 Ų10897.9 Ų97.966%0.65553%0.531SS*.  trans-55107.6177.3178.40000109T7 L11T7-V9 PolarHBondContact O-N 2.99Å; V9-L11 PolarHBondContact O-N 3.04Å
10R79.3Confident71.9Confident102 Ų10293.3 Ų93.339%0.38551%0.505SS..  trans-59.6111.9176.6-172.2179.1-178.4-175.34.7108.9A8 R13 S35 D37A8-R10 PolarHBondContact O-N 3.2Å; R10-R13 HydrophobicContact CB-CG 4.08Å; R10-R13 HydrophobicContact CG-CG 4.3Å; R10-R13 VanDerWaalsContact O-CG 3.3Å; R10-R13 WeakPolarHBondContact O-CG 3.48Å; R10-R13 PolarHBondContact O-NE 3.15Å; R10-S35 VanDerWaalsContact CZ-OG 3.31Å; R10-S35 PolarHBondContact NH2-O 3.33Å; R10-S35 PolarHBondContact NH2-OG 3.12Å; R10-D37 IonicContact CZ-OD1 3.48Å; R10-D37 IonicContact CZ-OD2 2.93Å; R10-D37 IonicContact NE-OD1 3.36Å; R10-D37 PolarHBondContact NE-OD1 3.34Å; R10-D37 IonicContact NE-OD2 2.67Å; R10-D37 PolarHBondContact NE-OD2 2.94Å; R10-D37 IonicContact NH1-OD2 3.91Å; R10-D37 IonicContact NH2-OD1 2.78Å; R10-D37 PolarHBondContact NH2-OD1 3.23Å; R10-D37 IonicContact NH2-OD2 2.89Å; R10-D37 PolarHBondContact NH2-OD2 3.14Å
11L84.8Confident73.1Confident115 Ų11593.4 Ų93.460%0.60251%0.505SS*.SBendtrans-68-37.5-177.8-65.9174.5000111.8V9 R13 P89V9-L11 PolarHBondContact O-N 3.04Å; L11-R13 PolarHBondContact O-N 3.24Å; L11-P89 HydrophobicContact CB-CB 4.38Å; L11-P89 HydrophobicContact CB-CG 4.48Å; L11-P89 HydrophobicContact CD1-CG 4.39Å
12M87.7Confident75.9Confident19 Ų1983.6 Ų83.69%0.09446%0.463CS..SBendtrans-94.359.4-176.4-63.1-65.3-177.800112.2V18 V32 S35 Y84 L87 P89M12-V18 HydrophobicContact CE-CG1 4.27Å; M12-V18 HydrophobicContact SD-CG1 3.63Å; M12-V32 HydrophobicContact SD-CG2 4.36Å; M12-S35 WeakPolarHBondContact O-CB 3.3Å; M12-S35 PolarHBondContact O-OG 2.97Å; M12-Y84 HydrophobicContact CB-CD1 4.39Å; M12-Y84 HydrophobicContact CB-CE1 3.77Å; M12-Y84 HydrophobicContact CE-CD1 4.49Å; M12-Y84 HydrophobicContact CG-CD1 3.84Å; M12-Y84 HydrophobicContact CG-CE1 3.75Å; M12-Y84 HydrophobicContact CG-CG 4.36Å; M12-Y84 HydrophobicContact SD-CD1 4.4Å; M12-L87 HydrophobicContact CE-CB 3.76Å; M12-P89 HydrophobicContact CE-CB 3.97Å; M12-P89 HydrophobicContact CE-CG 4.1Å; M12-P89 HydrophobicContact SD-CB 4.36Å
13R90.7Very high78.5Confident137 Ų13780.8 Ų80.852%0.51745%0.452SS..  trans-82.4149.4174-74176.5-62.3163.93.6111.6R10 L11 G15 V16R10-R13 HydrophobicContact CB-CG 4.08Å; R10-R13 HydrophobicContact CG-CG 4.3Å; R10-R13 VanDerWaalsContact O-CG 3.3Å; R10-R13 WeakPolarHBondContact O-CG 3.48Å; R10-R13 PolarHBondContact O-NE 3.15Å; L11-R13 PolarHBondContact O-N 3.24Å; R13-G15 PolarHBondContact O-N 3.43Å; R13-V16 HydrophobicContact CB-CG2 3.93Å; R13-V16 WeakPolarHBondContact O-CB 3.48Å; R13-V16 WeakPolarHBondContact O-CG2 3.46Å; R13-V16 PolarHBondContact O-N 3.38Å; R13-V16 VanDerWaalsContact O-N 3.1Å
14P93Very high80.8Confident82 Ų8278 Ų7853%0.53244%0.441SS..THydrogen-bonded Turntrans-50.3136.5166.9-27.436.5000111.7V16 V32 I33P14-V16 VanDerWaalsContact C-N 3.32Å; P14-V16 PolarHBondContact O-N 3.19Å; P14-V32 CarbonylContact C-O 3.52Å; P14-V32 VanDerWaalsContact CA-O 3.32Å; P14-V32 WeakPolarHBondContact CA-O 3.44Å; P14-I33 WeakPolarHBondContact CB-O 3.42Å
15G94.1Very high83.4Confident19 Ų1972 Ų7220%0.19641%0.407CS..THydrogen-bonded Turntrans86.5-12-176.600000115.1R13 V32 S93 V94R13-G15 PolarHBondContact O-N 3.43Å; G15-V32 PolarHBondContact N-O 3.14Å; G15-S93 CarbonylContact O-C 3.59Å; G15-S93 WeakPolarHBondContact O-CA 3.46Å; G15-V94 PolarHBondContact O-N 3.45Å
16V95.4Very high86Confident15 Ų1570.2 Ų70.29%0.09139%0.385CS..EExtended strand (participates in β ladder)trans-71136173.5176.50000110R13 P14 V32R13-V16 HydrophobicContact CB-CG2 3.93Å; R13-V16 WeakPolarHBondContact O-CB 3.48Å; R13-V16 WeakPolarHBondContact O-CG2 3.46Å; R13-V16 PolarHBondContact O-N 3.38Å; R13-V16 VanDerWaalsContact O-N 3.1Å; P14-V16 VanDerWaalsContact C-N 3.32Å; P14-V16 PolarHBondContact O-N 3.19Å; V16-V32 PolarHBondContact O-N 3.15Å
17V97Very high88.6Confident0 Ų062 Ų620%035%0.353CS..EExtended strand (participates in β ladder)trans-82130.8172.4-179.10000109.3K29 A30 I31 T90 H92 V94 W136 F137V17-K29 HydrophobicContact CG1-CB 4.45Å; V17-A30 CarbonylContact C-O 3.55Å; V17-A30 VanDerWaalsContact CA-O 3.3Å; V17-A30 WeakPolarHBondContact CA-O 3.41Å; V17-I31 HydrophobicContact CG2-CG1 4.34Å; V17-T90 WeakPolarHBondContact O-CB 3.38Å; V17-T90 PolarHBondContact O-N 3.3Å; V17-T90 VanDerWaalsContact O-N 3.08Å; V17-T90 PolarHBondContact O-OG1 3.1Å; V17-H92 HydrophobicContact CB-CB 4.04Å; V17-H92 WeakPolarHBondContact CB-O 3.38Å; V17-H92 HydrophobicContact CG2-CB 4.07Å; V17-H92 PolarHBondContact N-O 3.01Å; V17-V94 HydrophobicContact CG2-CB 4.14Å; V17-V94 HydrophobicContact CG2-CG2 3.43Å; V17-V94 VanDerWaalsContact CG2-CG2 3.43Å; V17-W136 HydrophobicContact CG1-CZ3 3.83Å; V17-F137 HydrophobicContact CB-CD2 4.48Å; V17-F137 HydrophobicContact CG1-CD2 3.67Å; V17-F137 HydrophobicContact CG1-CE2 3.94Å; V17-F137 HydrophobicContact CG2-CD2 3.9Å; V17-F137 HydrophobicContact CG2-CE2 4.33Å
18V97.5Very high91.2Very high0 Ų057.7 Ų57.70%032%0.32CS..EExtended strand (participates in β ladder)trans-122.1150.7177.9-63.60000109.8M12 A30 V32 V50 L87 M88M12-V18 HydrophobicContact CE-CG1 4.27Å; M12-V18 HydrophobicContact SD-CG1 3.63Å; V18-A30 HydrophobicContact CG2-CB 4.05Å; V18-A30 WeakPolarHBondContact CG2-O 3.47Å; V18-A30 PolarHBondContact N-O 3.15Å; V18-A30 PolarHBondContact O-N 3.1Å; V18-V32 HydrophobicContact CG1-CG2 3.57Å; V18-V32 HydrophobicContact CG2-CG2 4.08Å; V18-V50 HydrophobicContact CG2-CG1 4.18Å; V18-L87 HydrophobicContact CB-CB 4.38Å; V18-L87 HydrophobicContact CB-CD2 4.33Å; V18-L87 HydrophobicContact CG2-CD1 4.36Å; V18-L87 HydrophobicContact CG2-CD2 3.86Å; V18-M88 CarbonylContact C-O 3.59Å; V18-M88 VanDerWaalsContact CA-O 3.31Å; V18-M88 WeakPolarHBondContact CA-O 3.33Å
19L97.7Very high93.2Very high12 Ų1254 Ų546%0.06329%0.288CS..EExtended strand (participates in β ladder)trans-99.7129.3168.8-77.6167.3000109K29 L87 M88 T90 L141L19-K29 HydrophobicContact CD2-CB 4.4Å; L19-K29 HydrophobicContact CD2-CG 3.46Å; L19-K29 VanDerWaalsContact CD2-CG 3.46Å; L19-K29 HydrophobicContact CG-CG 4.48Å; L19-L87 CarbonylContact O-C 3.09Å; L19-L87 WeakPolarHBondContact O-CA 3.3Å; L19-M88 HydrophobicContact CB-CB 4.24Å; L19-M88 HydrophobicContact CB-CE 4.21Å; L19-M88 HydrophobicContact CD1-CE 3.35Å; L19-M88 HydrophobicContact CG-CE 4.34Å; L19-M88 PolarHBondContact N-O 3.37Å; L19-M88 PolarHBondContact O-N 2.86Å; L19-T90 HydrophobicContact CD1-CG2 4.09Å; L19-T90 HydrophobicContact CG-CG2 4.07Å; L19-L141 HydrophobicContact CD1-CD2 4.01Å; L19-L141 HydrophobicContact CD2-CD2 3.9Å
20V98.1Very high94.8Very high4 Ų448.8 Ų48.82%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-78.9123.8176.1178.80000108.6A22 Y25 A26 G27 R28 A30 F78 L87V20-A22 WeakPolarHBondContact CG1-O 3.37Å; V20-Y25 VanDerWaalsContact CB-O 3.31Å; V20-Y25 WeakPolarHBondContact CB-O 3.28Å; V20-Y25 WeakPolarHBondContact CG1-O 3.36Å; V20-A26 CarbonylContact O-C 3.56Å; V20-A26 WeakPolarHBondContact O-CA 3.27Å; V20-G27 PolarHBondContact O-N 3.32Å; V20-R28 PolarHBondContact N-O 3.36Å; V20-A30 HydrophobicContact CG2-CB 4.31Å; V20-F78 HydrophobicContact CG2-CE2 4.43Å; V20-F78 HydrophobicContact CG2-CZ 4.11Å; V20-L87 HydrophobicContact CG2-CD2 3.98Å
21L98Very high95.6Very high96 Ų9644 Ų4450%0.50324%0.239SC..  trans-90.9-32.6-176.8-62.5179.4000112.9A26 H86 M88L21-A26 WeakPolarHBondContact O-CB 3.44Å; L21-H86 PolarHBondContact N-O 2.87Å; L21-M88 HydrophobicContact CD1-CB 4.1Å; L21-M88 HydrophobicContact CD2-CB 3.9Å; L21-M88 HydrophobicContact CG-CB 4.08Å
22A97Very high96.2Very high37 Ų3738.6 Ų38.631%0.30621%0.211SC..SBendtrans-128.1156.6-170.500000114.6V20 H86V20-A22 WeakPolarHBondContact CG1-O 3.37Å; A22-H86 HydrophobicContact CB-CB 4.07Å
23G96.6Very high96.6Very high54 Ų5438.6 Ų38.656%0.55721%0.211SC*.SBendtrans78.3-167.6176.600000114.2Y25 A26G23-Y25 PolarHBondContact O-N 3.13Å; G23-A26 WeakPolarHBondContact O-CB 3.3Å; G23-A26 PolarHBondContact O-N 3.31Å
24R97.1Very high96.7Very high189 Ų18937.2 Ų37.271%0.71321%0.209SC*.THydrogen-bonded Turntrans-50.2-27.9-174.9-179.8176.7174.31647.3115.5
25Y97.5Very high96.7Very high27 Ų2734 Ų3411%0.10619%0.188CC..THydrogen-bonded Turntrans-10620.9-177.7-55.3-61.4000112.7V20 G23 G27 R28 D54 F78 K80V20-Y25 VanDerWaalsContact CB-O 3.31Å; V20-Y25 WeakPolarHBondContact CB-O 3.28Å; V20-Y25 WeakPolarHBondContact CG1-O 3.36Å; G23-Y25 PolarHBondContact O-N 3.13Å; Y25-G27 PolarHBondContact O-N 2.76Å; Y25-R28 WeakPolarHBondContact O-CB 3.35Å; Y25-R28 WeakPolarHBondContact O-CG 3.35Å; Y25-R28 PolarHBondContact O-N 2.9Å; Y25-R28 VanDerWaalsContact O-N 3.1Å; Y25-D54 HydrophobicContact CD1-CB 4.42Å; Y25-D54 HydrophobicContact CE1-CB 4.11Å; Y25-F78 HydrophobicContact CD1-CB 4.31Å; Y25-F78 AromaticContact CD1-CD1 3.67Å; Y25-F78 HydrophobicContact CD1-CD1 3.67Å; Y25-F78 HydrophobicContact CD1-CD2 4.47Å; Y25-F78 HydrophobicContact CD1-CE1 4.03Å; Y25-F78 AromaticContact CD1-CG 3.91Å; Y25-F78 HydrophobicContact CD1-CG 3.91Å; Y25-F78 HydrophobicContact CD2-CB 4.36Å; Y25-F78 HydrophobicContact CD2-CD1 4.37Å; Y25-F78 AromaticContact CD2-CD2 3.71Å; Y25-F78 HydrophobicContact CD2-CD2 3.71Å; Y25-F78 HydrophobicContact CD2-CE2 4.02Å; Y25-F78 AromaticContact CD2-CG 3.9Å; Y25-F78 HydrophobicContact CD2-CG 3.9Å; Y25-F78 HydrophobicContact CD2-CZ 4.46Å; Y25-F78 HydrophobicContact CE1-CB 3.76Å; Y25-F78 AromaticContact CE1-CD1 3.93Å; Y25-F78 HydrophobicContact CE1-CD1 3.93Å; Y25-F78 AromaticContact CE1-CG 3.87Å; Y25-F78 HydrophobicContact CE1-CG 3.87Å; Y25-F78 HydrophobicContact CE2-CB 3.82Å; Y25-F78 AromaticContact CE2-CD2 3.91Å; Y25-F78 HydrophobicContact CE2-CD2 3.91Å; Y25-F78 AromaticContact CE2-CG 3.87Å; Y25-F78 HydrophobicContact CE2-CG 3.87Å; Y25-F78 AromaticContact CG-CD1 3.92Å; Y25-F78 HydrophobicContact CG-CD1 3.92Å; Y25-F78 HydrophobicContact CG-CD2 4.02Å; Y25-F78 AromaticContact CG-CE1 3.99Å; Y25-F78 HydrophobicContact CG-CE1 3.99Å; Y25-F78 HydrophobicContact CG-CE2 4.1Å; Y25-F78 AromaticContact CG-CG 3.93Å; Y25-F78 HydrophobicContact CG-CG 3.93Å; Y25-F78 HydrophobicContact CG-CZ 4.08Å; Y25-F78 VanDerWaalsContact CZ-CB 3.47Å; Y25-F78 AromaticContact CZ-CG 3.85Å; Y25-K80 HydrophobicContact CD2-CD 3.94Å; Y25-K80 HydrophobicContact CE2-CD 4.1Å
26A97.7Very high96.7Very high41 Ų4135.2 Ų35.234%0.33919%0.187SC..THydrogen-bonded Turntrans-53.2138174.500000111.6V20 L21 G23 R28V20-A26 CarbonylContact O-C 3.56Å; V20-A26 WeakPolarHBondContact O-CA 3.27Å; L21-A26 WeakPolarHBondContact O-CB 3.44Å; G23-A26 WeakPolarHBondContact O-CB 3.3Å; G23-A26 PolarHBondContact O-N 3.31Å; A26-R28 PolarHBondContact O-N 3.09Å
27G97.2Very high96.5Very high13 Ų1338.1 Ų38.113%0.13420%0.202CC..THydrogen-bonded Turntrans69.411.5-175.900000115.9V20 Y25 F143V20-G27 PolarHBondContact O-N 3.32Å; Y25-G27 PolarHBondContact O-N 2.76Å; G27-F143 VanDerWaalsContact CA-CE1 3.45Å; G27-F143 VanDerWaalsContact CA-CZ 3.47Å
28R98.1Very high96.1Very high59 Ų5947.1 Ų47.122%0.22324%0.244CC..  trans-92.5143.2173.8-53.5-55174.8145.25.8110.9V20 Y25 A26 I53 D54 F78V20-R28 PolarHBondContact N-O 3.36Å; Y25-R28 WeakPolarHBondContact O-CB 3.35Å; Y25-R28 WeakPolarHBondContact O-CG 3.35Å; Y25-R28 PolarHBondContact O-N 2.9Å; Y25-R28 VanDerWaalsContact O-N 3.1Å; A26-R28 PolarHBondContact O-N 3.09Å; R28-I53 WeakPolarHBondContact CD-O 3.43Å; R28-D54 PolarHBondContact NH1-O 3.02Å; R28-F78 HydrophobicContact CB-CE1 3.75Å; R28-F78 HydrophobicContact CB-CZ 4.07Å; R28-F78 HydrophobicContact CG-CE1 4.3Å
29K98.2Very high95.6Very high4 Ų447.8 Ų47.82%0.01725%0.251CS..EExtended strand (participates in β ladder)trans-81.3137.4172.9-66.1169.1-179.5170.90108.8V17 L19 G52 I53 Y56 W136 F137 H139V17-K29 HydrophobicContact CG1-CB 4.45Å; L19-K29 HydrophobicContact CD2-CB 4.4Å; L19-K29 HydrophobicContact CD2-CG 3.46Å; L19-K29 VanDerWaalsContact CD2-CG 3.46Å; L19-K29 HydrophobicContact CG-CG 4.48Å; K29-G52 WeakPolarHBondContact O-CA 3.37Å; K29-I53 PolarHBondContact O-N 2.91Å; K29-I53 VanDerWaalsContact O-N 3.09Å; K29-Y56 WeakPolarHBondContact CB-OH 3.45Å; K29-Y56 HydrophobicContact CD-CE1 4.49Å; K29-Y56 WeakPolarHBondContact CG-OH 3.38Å; K29-Y56 PolarHBondContact N-OH 3.24Å; K29-W136 HydrophobicContact CD-CE3 4.19Å; K29-W136 HydrophobicContact CD-CH2 4.19Å; K29-W136 HydrophobicContact CD-CZ3 3.97Å; K29-W136 HydrophobicContact CG-CH2 4.48Å; K29-W136 HydrophobicContact CG-CZ3 4.43Å; K29-W136 PolarHBondContact NZ-O 3.03Å; K29-F137 HydrophobicContact CB-CD2 3.89Å; K29-F137 HydrophobicContact CB-CE2 3.76Å; K29-F137 WeakPolarHBondContact CD-O 3.33Å; K29-H139 PolarHBondContact NZ-O 3.24Å
30A98Very high95.2Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-140.5160.1176.400000110.7V17 V18 V20 V50 V51 F78V17-A30 CarbonylContact C-O 3.55Å; V17-A30 VanDerWaalsContact CA-O 3.3Å; V17-A30 WeakPolarHBondContact CA-O 3.41Å; V18-A30 HydrophobicContact CG2-CB 4.05Å; V18-A30 WeakPolarHBondContact CG2-O 3.47Å; V18-A30 PolarHBondContact N-O 3.15Å; V18-A30 PolarHBondContact O-N 3.1Å; V20-A30 HydrophobicContact CG2-CB 4.31Å; A30-V50 HydrophobicContact CB-CB 3.92Å; A30-V50 HydrophobicContact CB-CG2 3.99Å; A30-V51 CarbonylContact C-O 3.49Å; A30-V51 VanDerWaalsContact CA-O 3.28Å; A30-V51 WeakPolarHBondContact CA-O 3.22Å; A30-F78 HydrophobicContact CB-CE2 4.38Å; A30-F78 HydrophobicContact CB-CZ 4.1Å
31I97.2Very high94.8Very high2 Ų253.3 Ų53.31%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-109.6132.3176.2-60.1164.3000106.9V17 I33 V50 V51 V94 I96 F98 F137V17-I31 HydrophobicContact CG2-CG1 4.34Å; I31-I33 HydrophobicContact CG2-CD1 4.38Å; I31-I33 PolarHBondContact O-N 3.15Å; I31-V50 CarbonylContact O-C 3.52Å; I31-V50 VanDerWaalsContact O-CA 3.24Å; I31-V50 WeakPolarHBondContact O-CA 3.27Å; I31-V51 PolarHBondContact N-O 3.08Å; I31-V51 PolarHBondContact O-N 3.01Å; I31-V94 HydrophobicContact CD1-CB 3.88Å; I31-V94 HydrophobicContact CD1-CG1 3.67Å; I31-V94 HydrophobicContact CG1-CB 4.26Å; I31-I96 HydrophobicContact CD1-CD1 3.97Å; I31-F98 HydrophobicContact CD1-CE2 4.21Å; I31-F98 HydrophobicContact CD1-CZ 4.37Å; I31-F137 HydrophobicContact CD1-CE1 3.9Å; I31-F137 HydrophobicContact CD1-CE2 4.17Å; I31-F137 HydrophobicContact CD1-CZ 3.67Å; I31-F137 HydrophobicContact CG1-CD2 4.48Å; I31-F137 HydrophobicContact CG1-CE1 4.33Å; I31-F137 HydrophobicContact CG1-CE2 3.69Å; I31-F137 HydrophobicContact CG1-CZ 3.61Å
32V96.1Very high94.3Very high0 Ų054.7 Ų54.70%031%0.31CS..EExtended strand (participates in β ladder)trans-70.1122.5171.6177.60000108.5M12 P14 G15 V16 V18 A48 V50M12-V32 HydrophobicContact SD-CG2 4.36Å; P14-V32 CarbonylContact C-O 3.52Å; P14-V32 VanDerWaalsContact CA-O 3.32Å; P14-V32 WeakPolarHBondContact CA-O 3.44Å; G15-V32 PolarHBondContact N-O 3.14Å; V16-V32 PolarHBondContact O-N 3.15Å; V18-V32 HydrophobicContact CG1-CG2 3.57Å; V18-V32 HydrophobicContact CG2-CG2 4.08Å; V32-A48 HydrophobicContact CG1-CB 3.98Å; V32-A48 HydrophobicContact CG2-CB 4.37Å; V32-V50 HydrophobicContact CG2-CG1 4.34Å
33I95.4Very high94Very high20 Ų2055.8 Ų55.810%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-94.2-47.8175.5-56.4-53000110.2P14 I31 L49 V51 F98 T100 I103P14-I33 WeakPolarHBondContact CB-O 3.42Å; I31-I33 HydrophobicContact CG2-CD1 4.38Å; I31-I33 PolarHBondContact O-N 3.15Å; I33-L49 HydrophobicContact CB-CG 4.5Å; I33-L49 PolarHBondContact N-O 2.91Å; I33-V51 HydrophobicContact CD1-CB 4.14Å; I33-V51 HydrophobicContact CD1-CG2 3.86Å; I33-V51 HydrophobicContact CG1-CB 4.15Å; I33-V51 HydrophobicContact CG1-CG2 3.53Å; I33-F98 HydrophobicContact CD1-CB 4.26Å; I33-F98 HydrophobicContact CD1-CD2 3.21Å; I33-F98 HydrophobicContact CD1-CE2 3.6Å; I33-F98 HydrophobicContact CD1-CG 3.86Å; I33-T100 HydrophobicContact CG2-CG2 4.32Å; I33-I103 HydrophobicContact CG1-CG2 4.4Å; I33-I103 HydrophobicContact CG2-CG2 4.42Å
34K93.6Very high93.9Very high108 Ų10859 Ų5947%0.4732%0.319SS..EExtended strand (participates in β ladder)trans-145.9129.7-179.6-173.2164.3176.31710109.7Y36 A48 L49K34-Y36 HydrophobicContact CB-CE2 4.13Å; K34-Y36 HydrophobicContact CD-CE1 4.37Å; K34-Y36 HydrophobicContact CD-CE2 4.13Å; K34-Y36 WeakPolarHBondContact CD-OH 3.34Å; K34-Y36 WeakPolarHBondContact CE-OH 3.49Å; K34-Y36 HydrophobicContact CG-CD2 4.46Å; K34-Y36 HydrophobicContact CG-CE2 3.74Å; K34-A48 CarbonylContact O-C 3.55Å; K34-A48 WeakPolarHBondContact O-CA 3.34Å; K34-L49 HydrophobicContact CB-CB 4.43Å; K34-L49 PolarHBondContact N-O 3.1Å; K34-L49 PolarHBondContact O-N 2.96Å
35S93.2Very high93.7Very high15 Ų1554.4 Ų54.411%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-103.3138.6179.531.30000110.6R10 M12 Y84R10-S35 VanDerWaalsContact CZ-OG 3.31Å; R10-S35 PolarHBondContact NH2-O 3.33Å; R10-S35 PolarHBondContact NH2-OG 3.12Å; M12-S35 WeakPolarHBondContact O-CB 3.3Å; M12-S35 PolarHBondContact O-OG 2.97Å; S35-Y84 WeakPolarHBondContact CA-OH 3.35Å; S35-Y84 WeakPolarHBondContact CB-OH 3.22Å
36Y93.3Very high93.6Very high44 Ų4454 Ų5417%0.17331%0.305CS..EExtended strand (participates in β ladder)trans-125.888.8179.1-61.7-92.5000107.3K34 G39 G46 H47 Y84 K105K34-Y36 HydrophobicContact CB-CE2 4.13Å; K34-Y36 HydrophobicContact CD-CE1 4.37Å; K34-Y36 HydrophobicContact CD-CE2 4.13Å; K34-Y36 WeakPolarHBondContact CD-OH 3.34Å; K34-Y36 WeakPolarHBondContact CE-OH 3.49Å; K34-Y36 HydrophobicContact CG-CD2 4.46Å; K34-Y36 HydrophobicContact CG-CE2 3.74Å; Y36-G39 PolarHBondContact O-N 3.48Å; Y36-G46 WeakPolarHBondContact O-CA 3.05Å; Y36-H47 WeakPolarHBondContact CA-O 3.28Å; Y36-H47 WeakPolarHBondContact CB-O 3.35Å; Y36-H47 AromaticContact CD2-CD2 3.81Å; Y36-H47 AromaticContact CD2-NE2 3.81Å; Y36-H47 AromaticContact CG-NE2 3.77Å; Y36-H47 PolarHBondContact N-O 3.29Å; Y36-H47 PolarHBondContact O-N 2.68Å; Y36-Y84 PolarHBondContact N-OH 3.1Å; Y36-K105 HydrophobicContact CE1-CD 4.02Å; Y36-K105 HydrophobicContact CE2-CD 3.96Å; Y36-K105 HydrophobicContact CE2-CG 4.21Å; Y36-K105 VanDerWaalsContact CG-NZ 3.29Å; Y36-K105 WeakPolarHBondContact OH-CD 3.49Å
37D91.2Very high93.4Very high75 Ų7552 Ų5240%0.40129%0.289SS..SBendtrans-73.3-41.8-170.5-65.4-5.2000112.1R10 G39 G46 Y84R10-D37 IonicContact CZ-OD1 3.48Å; R10-D37 IonicContact CZ-OD2 2.93Å; R10-D37 IonicContact NE-OD1 3.36Å; R10-D37 PolarHBondContact NE-OD1 3.34Å; R10-D37 IonicContact NE-OD2 2.67Å; R10-D37 PolarHBondContact NE-OD2 2.94Å; R10-D37 IonicContact NH1-OD2 3.91Å; R10-D37 IonicContact NH2-OD1 2.78Å; R10-D37 PolarHBondContact NH2-OD1 3.23Å; R10-D37 IonicContact NH2-OD2 2.89Å; R10-D37 PolarHBondContact NH2-OD2 3.14Å; D37-G39 PolarHBondContact O-N 3.02Å; D37-G46 WeakPolarHBondContact O-CA 3.47Å; D37-Y84 WeakPolarHBondContact OD1-CE2 3.18Å; D37-Y84 PolarHBondContact OD1-OH 2.79Å
38E89Confident93.4Very high190 Ų19051.4 Ų51.489%0.88828%0.283SS*.SBendtrans-83.41.9178.2-60.8174.4179.300112.6
39G88.4Confident93.2Very high13 Ų1348.6 Ų48.613%0.13427%0.272CS..  trans81.6-152.5-174.300000113.5Y36 D37 K43 Y45Y36-G39 PolarHBondContact O-N 3.48Å; D37-G39 PolarHBondContact O-N 3.02Å; G39-K43 CarbonylContact C-O 3.55Å; G39-K43 WeakPolarHBondContact CA-O 3.41Å; G39-Y45 WeakPolarHBondContact CA-O 3.49Å
40S88.9Confident93.2Very high38 Ų3848.4 Ų48.427%0.26627%0.272SS..BIsolated β-bridgetrans-156.8166.3176.353.90000109.5E42 K43 H47 K105S40-E42 PolarHBondContact O-N 3.21Å; S40-K43 PolarHBondContact N-O 2.95Å; S40-K43 CarbonylContact O-C 3.52Å; S40-K43 PolarHBondContact O-N 2.94Å; S40-H47 PolarHBondContact OG-CE1 3.1Å; S40-K105 VanDerWaalsContact CB-NZ 3.34Å; S40-K105 PolarHBondContact OG-NZ 3.32Å; S40-K105 VanDerWaalsContact OG-NZ 3.07Å
41G88.4Confident93.1Very high95 Ų9548.4 Ų48.498%0.97927%0.272SS*.THydrogen-bonded Turntrans-51.2-32.4179.100000114.9
42E88.7Confident93.2Very high124 Ų12448.3 Ų48.358%0.57927%0.271SS*.THydrogen-bonded Turntrans-78.6-23.4176.2-66.8172.7-156.600114.5S40 K109S40-E42 PolarHBondContact O-N 3.21Å; E42-K109 WeakPolarHBondContact OE1-CE 3.43Å; E42-K109 IonicContact OE1-NZ 2.62Å; E42-K109 PolarHBondContact OE1-NZ 3.22Å; E42-K109 IonicContact OE2-NZ 3.86Å
43K90.4Very high93.3Very high61 Ų6148.3 Ų48.327%0.26527%0.271SS..BIsolated β-bridgetrans-147.3103.5-170.3-71.9-179.1176.3-1790109.5G39 S40 Y45 V81G39-K43 CarbonylContact C-O 3.55Å; G39-K43 WeakPolarHBondContact CA-O 3.41Å; S40-K43 PolarHBondContact N-O 2.95Å; S40-K43 CarbonylContact O-C 3.52Å; S40-K43 PolarHBondContact O-N 2.94Å; K43-Y45 HydrophobicContact CB-CD1 4.5Å; K43-Y45 HydrophobicContact CB-CE1 4.07Å; K43-Y45 HydrophobicContact CB-CE2 4.27Å; K43-Y45 HydrophobicContact CD-CE2 4.1Å; K43-Y45 VanDerWaalsContact CD-OH 3.31Å; K43-Y45 WeakPolarHBondContact CD-OH 3.33Å; K43-Y45 WeakPolarHBondContact CE-OH 3.49Å; K43-Y45 HydrophobicContact CG-CE1 4.19Å; K43-Y45 HydrophobicContact CG-CE2 4.46Å; K43-Y45 PolarHBondContact O-N 3.09Å; K43-Y45 VanDerWaalsContact O-N 3.13Å; K43-V81 HydrophobicContact CD-CG1 4.49Å
44P93.7Very high93.4Very high121 Ų12148.6 Ų48.679%0.78627%0.273SS*.  trans-76.12.7-173.531.8-36.9000114
45Y94.1Very high93.5Very high93 Ų9350.4 Ų50.437%0.36528%0.277SS..SBendtrans-108.9155.6-178.953.4-98.4000111.9G39 K43 H47 N83G39-Y45 WeakPolarHBondContact CA-O 3.49Å; K43-Y45 HydrophobicContact CB-CD1 4.5Å; K43-Y45 HydrophobicContact CB-CE1 4.07Å; K43-Y45 HydrophobicContact CB-CE2 4.27Å; K43-Y45 HydrophobicContact CD-CE2 4.1Å; K43-Y45 VanDerWaalsContact CD-OH 3.31Å; K43-Y45 WeakPolarHBondContact CD-OH 3.33Å; K43-Y45 WeakPolarHBondContact CE-OH 3.49Å; K43-Y45 HydrophobicContact CG-CE1 4.19Å; K43-Y45 HydrophobicContact CG-CE2 4.46Å; K43-Y45 PolarHBondContact O-N 3.09Å; K43-Y45 VanDerWaalsContact O-N 3.13Å; Y45-H47 HydrophobicContact CD2-CB 4.25Å; Y45-H47 HydrophobicContact CE2-CB 4.16Å; Y45-H47 PolarHBondContact O-N 3.16Å; Y45-H47 PolarHBondContact O-ND1 3.35Å; Y45-N83 HydrophobicContact CD2-CB 3.99Å; Y45-N83 HydrophobicContact CE2-CB 3.8Å
46G94.1Very high93.7Very high17 Ų1750.5 Ų50.518%0.17528%0.275CS..  trans-60.2128.317500000113Y36 D37 N83 Y84Y36-G46 WeakPolarHBondContact O-CA 3.05Å; D37-G46 WeakPolarHBondContact O-CA 3.47Å; G46-N83 PolarHBondContact O-OD1 3.1Å; G46-Y84 PolarHBondContact O-N 2.85Å; G46-Y84 VanDerWaalsContact O-N 3.1Å
47H95.2Very high93.9Very high0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-151.8158.6-17859-90.4000112.8Y36 S40 Y45 V81 V82 Y84 K105Y36-H47 WeakPolarHBondContact CA-O 3.28Å; Y36-H47 WeakPolarHBondContact CB-O 3.35Å; Y36-H47 AromaticContact CD2-CD2 3.81Å; Y36-H47 AromaticContact CD2-NE2 3.81Å; Y36-H47 AromaticContact CG-NE2 3.77Å; Y36-H47 PolarHBondContact N-O 3.29Å; Y36-H47 PolarHBondContact O-N 2.68Å; S40-H47 PolarHBondContact OG-CE1 3.1Å; Y45-H47 HydrophobicContact CD2-CB 4.25Å; Y45-H47 HydrophobicContact CE2-CB 4.16Å; Y45-H47 PolarHBondContact O-N 3.16Å; Y45-H47 PolarHBondContact O-ND1 3.35Å; H47-V81 HydrophobicContact CB-CG1 4.23Å; H47-V81 WeakPolarHBondContact CD2-CG1 3.23Å; H47-V82 CarbonylContact C-O 3.47Å; H47-V82 VanDerWaalsContact CA-O 3.28Å; H47-V82 WeakPolarHBondContact CA-O 3.39Å; H47-V82 VanDerWaalsContact CB-O 3.26Å; H47-V82 WeakPolarHBondContact CB-O 3.36Å; H47-Y84 VanDerWaalsContact C-CE1 3.43Å; H47-K105 WeakPolarHBondContact NE2-CE 3.45Å; H47-K105 PolarHBondContact NE2-NZ 2.99Å
48A95.6Very high94.1Very high0 Ų053 Ų530%028%0.281CS..EExtended strand (participates in β ladder)trans-120.1145.2174.300000112.1V32 K34 V50 V81 V82 Y84 L87V32-A48 HydrophobicContact CG1-CB 3.98Å; V32-A48 HydrophobicContact CG2-CB 4.37Å; K34-A48 CarbonylContact O-C 3.55Å; K34-A48 WeakPolarHBondContact O-CA 3.34Å; A48-V50 HydrophobicContact CB-CG1 3.88Å; A48-V81 CarbonylContact O-C 3.59Å; A48-V81 WeakPolarHBondContact O-CA 3.37Å; A48-V82 PolarHBondContact N-O 2.74Å; A48-V82 PolarHBondContact O-N 3.4Å; A48-Y84 HydrophobicContact CB-CD1 4.36Å; A48-Y84 HydrophobicContact CB-CE1 3.7Å; A48-L87 HydrophobicContact CB-CD1 4.05Å
49L95.7Very high94.3Very high1 Ų153.6 Ų53.61%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-79.7119.9157.7-18063.4000108I33 K34 V79 V81 I103 M108I33-L49 HydrophobicContact CB-CG 4.5Å; I33-L49 PolarHBondContact N-O 2.91Å; K34-L49 HydrophobicContact CB-CB 4.43Å; K34-L49 PolarHBondContact N-O 3.1Å; K34-L49 PolarHBondContact O-N 2.96Å; L49-V79 HydrophobicContact CD1-CG1 3.88Å; L49-V81 HydrophobicContact CD1-CG2 3.85Å; L49-I103 HydrophobicContact CD2-CG2 4.04Å; L49-I103 WeakPolarHBondContact CD2-O 3.47Å; L49-I103 HydrophobicContact CG-CG2 4.46Å; L49-M108 HydrophobicContact CD1-CG 4.23Å
50V96.6Very high94.5Very high0 Ų055.9 Ų55.90%028%0.283CS..EExtended strand (participates in β ladder)trans-122.1147.7-177-54.70000111.7V18 A30 I31 V32 A48 F78 V79 K80 V82 L87V18-V50 HydrophobicContact CG2-CG1 4.18Å; A30-V50 HydrophobicContact CB-CB 3.92Å; A30-V50 HydrophobicContact CB-CG2 3.99Å; I31-V50 CarbonylContact O-C 3.52Å; I31-V50 VanDerWaalsContact O-CA 3.24Å; I31-V50 WeakPolarHBondContact O-CA 3.27Å; V32-V50 HydrophobicContact CG2-CG1 4.34Å; A48-V50 HydrophobicContact CB-CG1 3.88Å; V50-F78 HydrophobicContact CG2-CE2 4.26Å; V50-V79 WeakPolarHBondContact O-CA 3.46Å; V50-K80 WeakPolarHBondContact CG2-O 3.39Å; V50-K80 PolarHBondContact N-O 3.38Å; V50-K80 PolarHBondContact O-N 2.8Å; V50-V82 HydrophobicContact CG2-CG2 3.82Å; V50-L87 HydrophobicContact CG1-CD1 4Å
51V97.6Very high94.8Very high0 Ų056.7 Ų56.70%028%0.284CS..EExtended strand (participates in β ladder)trans-115.3119.6170172.80000108.1A30 I31 I33 F78 V79 F98 I103 A121 L125A30-V51 CarbonylContact C-O 3.49Å; A30-V51 VanDerWaalsContact CA-O 3.28Å; A30-V51 WeakPolarHBondContact CA-O 3.22Å; I31-V51 PolarHBondContact N-O 3.08Å; I31-V51 PolarHBondContact O-N 3.01Å; I33-V51 HydrophobicContact CD1-CB 4.14Å; I33-V51 HydrophobicContact CD1-CG2 3.86Å; I33-V51 HydrophobicContact CG1-CB 4.15Å; I33-V51 HydrophobicContact CG1-CG2 3.53Å; V51-F78 WeakPolarHBondContact CA-O 3.41Å; V51-V79 HydrophobicContact CG2-CG1 4.2Å; V51-V79 HydrophobicContact CG2-CG2 4.13Å; V51-F98 HydrophobicContact CB-CZ 4.39Å; V51-F98 HydrophobicContact CG1-CE1 4.03Å; V51-F98 HydrophobicContact CG1-CZ 4Å; V51-I103 HydrophobicContact CG2-CD1 4Å; V51-I103 HydrophobicContact CG2-CG2 3.93Å; V51-A121 HydrophobicContact CG1-CB 3.63Å; V51-L125 HydrophobicContact CG1-CD1 4.21Å
52G97.6Very high95Very high0 Ų064.4 Ų64.40%028%0.284CS..EExtended strand (participates in β ladder)trans-135.1179.3-177.600000114.4K29 P77 F78K29-G52 WeakPolarHBondContact O-CA 3.37Å; G52-P77 CarbonylContact O-C 3.59Å; G52-P77 WeakPolarHBondContact O-CA 3.48Å; G52-F78 VanDerWaalsContact C-CD1 3.46Å; G52-F78 PolarHBondContact N-O 2.91Å; G52-F78 WeakPolarHBondContact O-CD1 3.24Å; G52-F78 PolarHBondContact O-N 3.31Å
53I98Very high95.4Very high0 Ų069.1 Ų69.10%030%0.296CS..EExtended strand (participates in β ladder)trans-106.5112-175.3-60.6174.1000110.6R28 K29 R55 Y56 I75 L125 F137 F138R28-I53 WeakPolarHBondContact CD-O 3.43Å; K29-I53 PolarHBondContact O-N 2.91Å; K29-I53 VanDerWaalsContact O-N 3.09Å; I53-R55 VanDerWaalsContact CG2-C 3.42Å; I53-R55 WeakPolarHBondContact CG2-O 3.14Å; I53-Y56 HydrophobicContact CB-CD1 4Å; I53-Y56 HydrophobicContact CB-CE1 3.8Å; I53-Y56 HydrophobicContact CD1-CD1 4.07Å; I53-Y56 HydrophobicContact CD1-CE1 4.04Å; I53-Y56 HydrophobicContact CG1-CE1 4.5Å; I53-Y56 HydrophobicContact CG2-CD1 3.5Å; I53-Y56 HydrophobicContact CG2-CD2 4.18Å; I53-Y56 HydrophobicContact CG2-CE1 3.83Å; I53-Y56 HydrophobicContact CG2-CE2 4.47Å; I53-Y56 HydrophobicContact CG2-CG 3.71Å; I53-I75 HydrophobicContact CG1-CG2 4.14Å; I53-I75 HydrophobicContact CG2-CG2 3.98Å; I53-L125 HydrophobicContact CG1-CD1 4.17Å; I53-F137 HydrophobicContact CD1-CD1 3.89Å; I53-F137 HydrophobicContact CD1-CE1 3.47Å; I53-F137 VanDerWaalsContact CD1-CE1 3.47Å; I53-F137 HydrophobicContact CD1-CZ 4.05Å; I53-F137 HydrophobicContact CG1-CE1 4.03Å; I53-F137 HydrophobicContact CG1-CZ 4.23Å; I53-F138 HydrophobicContact CD1-CD1 3.7Å; I53-F138 HydrophobicContact CD1-CE1 4.03Å
54D97.5Very high95.7Very high25 Ų2567 Ų6713%0.13429%0.287CS..EExtended strand (participates in β ladder)trans-80-47.6172.7179.926.9000110.4Y25 R28 K76 F78Y25-D54 HydrophobicContact CD1-CB 4.42Å; Y25-D54 HydrophobicContact CE1-CB 4.11Å; R28-D54 PolarHBondContact NH1-O 3.02Å; D54-K76 WeakPolarHBondContact CA-O 3.22Å; D54-K76 HydrophobicContact CB-CD 4.41Å; D54-K76 HydrophobicContact CB-CG 4.45Å; D54-K76 WeakPolarHBondContact CB-O 3.49Å; D54-K76 PolarHBondContact N-O 3.47Å; D54-K76 WeakPolarHBondContact OD2-CD 3.46Å; D54-K76 VanDerWaalsContact OD2-CE 3.28Å; D54-K76 WeakPolarHBondContact OD2-CE 3.35Å; D54-K76 IonicContact OD2-NZ 2.76Å; D54-K76 PolarHBondContact OD2-NZ 2.91Å; D54-F78 HydrophobicContact CB-CD1 4.07Å
55R97.2Very high95.8Very high147 Ų14763.5 Ų63.556%0.55527%0.273SS*.EExtended strand (participates in β ladder)trans-116.1109.3173.8-167.9-179.1-68.1-177.5-2.6109.6I53 I75 K76I53-R55 VanDerWaalsContact CG2-C 3.42Å; I53-R55 WeakPolarHBondContact CG2-O 3.14Å; R55-I75 WeakPolarHBondContact O-CA 3.17Å; R55-K76 HydrophobicContact CB-CB 3.5Å; R55-K76 HydrophobicContact CB-CD 4.49Å; R55-K76 PolarHBondContact N-O 3.1Å; R55-K76 VanDerWaalsContact N-O 3.1Å; R55-K76 PolarHBondContact O-N 2.91Å; R55-K76 VanDerWaalsContact O-N 3.09Å
56Y97.2Very high95.9Very high17 Ų1767.7 Ų67.77%0.06729%0.293CS..PPolyproline II helixtrans-68.2150.5174.2-67.8-82.7000111.3K29 I53 F137 F138 K140K29-Y56 WeakPolarHBondContact CB-OH 3.45Å; K29-Y56 HydrophobicContact CD-CE1 4.49Å; K29-Y56 WeakPolarHBondContact CG-OH 3.38Å; K29-Y56 PolarHBondContact N-OH 3.24Å; I53-Y56 HydrophobicContact CB-CD1 4Å; I53-Y56 HydrophobicContact CB-CE1 3.8Å; I53-Y56 HydrophobicContact CD1-CD1 4.07Å; I53-Y56 HydrophobicContact CD1-CE1 4.04Å; I53-Y56 HydrophobicContact CG1-CE1 4.5Å; I53-Y56 HydrophobicContact CG2-CD1 3.5Å; I53-Y56 HydrophobicContact CG2-CD2 4.18Å; I53-Y56 HydrophobicContact CG2-CE1 3.83Å; I53-Y56 HydrophobicContact CG2-CE2 4.47Å; I53-Y56 HydrophobicContact CG2-CG 3.71Å; Y56-F137 WeakPolarHBondContact CE1-O 3.43Å; Y56-F138 VanDerWaalsContact CD1-O 3.3Å; Y56-F138 WeakPolarHBondContact CD1-O 3.25Å; Y56-K140 HydrophobicContact CD2-CB 3.6Å; Y56-K140 HydrophobicContact CD2-CG 3.71Å; Y56-K140 HydrophobicContact CE2-CB 3.99Å; Y56-K140 HydrophobicContact CE2-CG 3.84Å; Y56-K140 HydrophobicContact CG-CB 3.96Å
57P96.5Very high96Very high17 Ų1775.7 Ų75.711%0.1132%0.323CS..PPolyproline II helixtrans-62.1147.2169.629.1-31.4000109.5R72 I75 Y129 F138P57-R72 CarbonylContact C-O 3.6Å; P57-R72 WeakPolarHBondContact CA-O 3.42Å; P57-I75 HydrophobicContact CB-CG1 4.31Å; P57-I75 HydrophobicContact CG-CD1 4.34Å; P57-I75 HydrophobicContact CG-CG1 4.26Å; P57-Y129 HydrophobicContact CB-CD1 4.14Å; P57-Y129 HydrophobicContact CB-CD2 4.42Å; P57-Y129 HydrophobicContact CB-CE1 3.63Å; P57-Y129 HydrophobicContact CB-CE2 3.96Å; P57-Y129 HydrophobicContact CG-CD1 4.28Å; P57-Y129 HydrophobicContact CG-CD2 3.75Å; P57-Y129 HydrophobicContact CG-CE1 4.04Å; P57-Y129 HydrophobicContact CG-CE2 3.48Å; P57-Y129 VanDerWaalsContact CG-CE2 3.48Å; P57-Y129 HydrophobicContact CG-CG 4.15Å; P57-F138 WeakPolarHBondContact CD-O 3.38Å; P57-F138 HydrophobicContact CG-CB 4.19Å
58R95.3Very high96Very high155 Ų15582.3 Ų82.359%0.58535%0.348SS*.PPolyproline II helixtrans-92152.3179.8-62.8177.2-179.9179-4109.5I60 R72R58-I60 PolarHBondContact O-N 3.05Å; R58-R72 HydrophobicContact CB-CB 4.05Å; R58-R72 HydrophobicContact CB-CG 3.93Å; R58-R72 PolarHBondContact N-O 2.9Å
59R93.4Very high95.9Very high202 Ų20285.3 Ų85.376%0.76236%0.363SS*.PPolyproline II helixtrans-52.3129.5174.9-176.4178.3178.8-173.51.2111.3L61 R72R59-L61 HydrophobicContact CG-CD2 4.5Å; R59-R72 WeakPolarHBondContact O-CD 3.44Å
60I93Very high95.8Very high61 Ų6191.5 Ų91.531%0.31339%0.392SS..PPolyproline II helixtrans-97.3139.2175.5-57.5173.2000108R58 M69 R72 S73R58-I60 PolarHBondContact O-N 3.05Å; I60-M69 HydrophobicContact CG2-CB 4.33Å; I60-M69 HydrophobicContact CG2-CG 3.81Å; I60-M69 HydrophobicContact CG2-SD 3.9Å; I60-R72 HydrophobicContact CG1-CB 4.4Å; I60-S73 VanDerWaalsContact CD1-OG 3.3Å; I60-S73 WeakPolarHBondContact CD1-OG 3.31Å
61L94.6Very high95.8Very high54 Ų5494.5 Ų94.528%0.28341%0.413SS..  trans-119.3146.7174.1-59.2170.5000108.5R59 R63 M64R59-L61 HydrophobicContact CG-CD2 4.5Å; L61-R63 HydrophobicContact CB-CG 4.27Å; L61-R63 PolarHBondContact O-N 3.14Å; L61-R63 VanDerWaalsContact O-N 3.15Å; L61-M64 HydrophobicContact CB-CE 3.75Å; L61-M64 HydrophobicContact CB-CG 4.24Å; L61-M64 HydrophobicContact CD1-CE 3.8Å; L61-M64 HydrophobicContact CG-CE 3.66Å; L61-M64 WeakPolarHBondContact O-CB 3.43Å; L61-M64 WeakPolarHBondContact O-CG 3.2Å; L61-M64 PolarHBondContact O-N 3.31Å
62R93.7Very high95.6Very high257 Ų25797 Ų9797%0.9742%0.423SS*.THydrogen-bonded Turntrans-56.1-33.4-176.5-64.3179.773-179.52113.6M64R62-M64 PolarHBondContact O-N 3.47Å
63R96.4Very high95.5Very high223 Ų22398.2 Ų98.284%0.84243%0.431SS*.THydrogen-bonded Turntrans-70.5-6.2178.567.5179.4175.3-178.1-1.2115.6L61L61-R63 HydrophobicContact CB-CG 4.27Å; L61-R63 PolarHBondContact O-N 3.14Å; L61-R63 VanDerWaalsContact O-N 3.15Å
64M96.2Very high95.3Very high16 Ų16103.6 Ų103.68%0.07945%0.454CS..SBendtrans-81135.2-176.2-64.7-172.6-168.200111L61 R62 R68 M69 R72L61-M64 HydrophobicContact CB-CE 3.75Å; L61-M64 HydrophobicContact CB-CG 4.24Å; L61-M64 HydrophobicContact CD1-CE 3.8Å; L61-M64 HydrophobicContact CG-CE 3.66Å; L61-M64 WeakPolarHBondContact O-CB 3.43Å; L61-M64 WeakPolarHBondContact O-CG 3.2Å; L61-M64 PolarHBondContact O-N 3.31Å; R62-M64 PolarHBondContact O-N 3.47Å; M64-R68 HydrophobicContact CB-CB 4.36Å; M64-R68 HydrophobicContact SD-CG 4.21Å; M64-M69 HydrophobicContact CB-CG 3.73Å; M64-M69 WeakPolarHBondContact O-CE 3.49Å; M64-R72 PolarHBondContact SD-NH1 2.85Å
65G96.7Very high95.3Very high48 Ų48102.7 Ų102.750%0.49545%0.449SS..  trans-65.6157.417100000113.1K67 R68 M69G65-K67 VanDerWaalsContact C-N 3.35Å; G65-K67 PolarHBondContact O-N 3Å; G65-R68 WeakPolarHBondContact O-CA 3.39Å; G65-R68 WeakPolarHBondContact O-CB 3.37Å; G65-R68 PolarHBondContact O-N 3.4Å; G65-M69 PolarHBondContact O-N 3.18Å
66K95.2Very high95.3Very high181 Ų181100 Ų10079%0.78744%0.441SS*.Hα-helixtrans-49.7-47.5-174.9-65.6-178.6179.7178.30113.6R68 M69 E70K66-R68 VanDerWaalsContact C-N 3.32Å; K66-R68 PolarHBondContact O-N 2.92Å; K66-M69 HydrophobicContact CG-CE 4.19Å; K66-M69 PolarHBondContact O-N 3.24Å; K66-E70 PolarHBondContact O-N 3.38Å
67K96Very high95.3Very high185 Ų18599.6 Ų99.680%0.80444%0.441SS*.Hα-helixtrans-58.5-40177.1-172.2176.6-177.6177.10112.8G65 S71G65-K67 VanDerWaalsContact C-N 3.35Å; G65-K67 PolarHBondContact O-N 3Å; K67-S71 PolarHBondContact O-N 3.03Å; K67-S71 VanDerWaalsContact O-N 3.13Å; K67-S71 PolarHBondContact O-OG 3.39Å
68R96.1Very high95.4Very high140 Ų14098.8 Ų98.853%0.52844%0.436SS..Hα-helixtrans-73.2-37.1178.9-166.1173.4-169-170.8-0.4111.4M64 G65 K66 S71 R72M64-R68 HydrophobicContact CB-CB 4.36Å; M64-R68 HydrophobicContact SD-CG 4.21Å; G65-R68 WeakPolarHBondContact O-CA 3.39Å; G65-R68 WeakPolarHBondContact O-CB 3.37Å; G65-R68 PolarHBondContact O-N 3.4Å; K66-R68 VanDerWaalsContact C-N 3.32Å; K66-R68 PolarHBondContact O-N 2.92Å; R68-S71 WeakPolarHBondContact CA-OG 3.3Å; R68-S71 PolarHBondContact O-OG 3.34Å; R68-R72 WeakPolarHBondContact O-CG 3.47Å; R68-R72 PolarHBondContact O-N 3.43Å
69M94.1Very high95.4Very high62 Ų6291.8 Ų91.831%0.30541%0.41SS..Hα-helixtrans-62.9-49.3173.8-63.8-166.7-79.300111I60 M64 G65 K66 S71 R72 S73I60-M69 HydrophobicContact CG2-CB 4.33Å; I60-M69 HydrophobicContact CG2-CG 3.81Å; I60-M69 HydrophobicContact CG2-SD 3.9Å; M64-M69 HydrophobicContact CB-CG 3.73Å; M64-M69 WeakPolarHBondContact O-CE 3.49Å; G65-M69 PolarHBondContact O-N 3.18Å; K66-M69 HydrophobicContact CG-CE 4.19Å; K66-M69 PolarHBondContact O-N 3.24Å; M69-S71 PolarHBondContact O-N 3.47Å; M69-R72 PolarHBondContact O-N 2.65Å; M69-R72 VanDerWaalsContact O-N 3.1Å; M69-S73 PolarHBondContact O-N 2.95Å; M69-S73 PolarHBondContact O-OG 3.12Å; M69-S73 VanDerWaalsContact O-OG 3.13Å
70E93.5Very high95.5Very high131 Ų13186 Ų8661%0.61239%0.391SS*.Hα-helixtrans-60-46.1-179.8-168.9-168.8167.600112.3K66 R72 S73 K74K66-E70 PolarHBondContact O-N 3.38Å; E70-R72 VanDerWaalsContact C-N 3.25Å; E70-R72 PolarHBondContact O-N 3.36Å; E70-S73 PolarHBondContact O-N 3.49Å; E70-K74 PolarHBondContact O-N 3.09Å
71S95.1Very high95.6Very high63 Ų6384.2 Ų84.244%0.44138%0.382SS..Hα-helixtrans-61.5-31.517760.50000113.5K67 R68 M69K67-S71 PolarHBondContact O-N 3.03Å; K67-S71 VanDerWaalsContact O-N 3.13Å; K67-S71 PolarHBondContact O-OG 3.39Å; R68-S71 WeakPolarHBondContact CA-OG 3.3Å; R68-S71 PolarHBondContact O-OG 3.34Å; M69-S71 PolarHBondContact O-N 3.47Å
72R95Very high95.7Very high54 Ų5482.1 Ų82.120%0.20437%0.372CS..Hα-helixtrans-78.1-28.4176.1-78.6-163.1154.9110.4-2.3113.6P57 R58 R59 I60 M64 R68 M69 E70 K74P57-R72 CarbonylContact C-O 3.6Å; P57-R72 WeakPolarHBondContact CA-O 3.42Å; R58-R72 HydrophobicContact CB-CB 4.05Å; R58-R72 HydrophobicContact CB-CG 3.93Å; R58-R72 PolarHBondContact N-O 2.9Å; R59-R72 WeakPolarHBondContact O-CD 3.44Å; I60-R72 HydrophobicContact CG1-CB 4.4Å; M64-R72 PolarHBondContact SD-NH1 2.85Å; R68-R72 WeakPolarHBondContact O-CG 3.47Å; R68-R72 PolarHBondContact O-N 3.43Å; M69-R72 PolarHBondContact O-N 2.65Å; M69-R72 VanDerWaalsContact O-N 3.1Å; E70-R72 VanDerWaalsContact C-N 3.25Å; E70-R72 PolarHBondContact O-N 3.36Å; R72-K74 PolarHBondContact O-N 3.24Å
73S94.1Very high95.8Very high24 Ų2471.3 Ų71.317%0.16833%0.333CS..THydrogen-bonded Turntrans-75.7-5.7174.5-56.20000113.8I60 M69 E70 I75I60-S73 VanDerWaalsContact CD1-OG 3.3Å; I60-S73 WeakPolarHBondContact CD1-OG 3.31Å; M69-S73 PolarHBondContact O-N 2.95Å; M69-S73 PolarHBondContact O-OG 3.12Å; M69-S73 VanDerWaalsContact O-OG 3.13Å; E70-S73 PolarHBondContact O-N 3.49Å; S73-I75 PolarHBondContact O-N 3.46Å; S73-I75 VanDerWaalsContact O-N 3.16Å
74K95.2Very high95.8Very high114 Ų11462.6 Ų62.650%0.49630%0.301SS..  trans-68.8112-179.2-71.7179.4-176.7-178.60111.9E70 R72E70-K74 PolarHBondContact O-N 3.09Å; R72-K74 PolarHBondContact O-N 3.24Å
75I96.8Very high95.8Very high5 Ų568 Ų683%0.02633%0.33CS..  trans-88.5137.6171.1-56.2-177.1000111I53 R55 P57 S73 L125 Q126 Y129 F138I53-I75 HydrophobicContact CG1-CG2 4.14Å; I53-I75 HydrophobicContact CG2-CG2 3.98Å; R55-I75 WeakPolarHBondContact O-CA 3.17Å; P57-I75 HydrophobicContact CB-CG1 4.31Å; P57-I75 HydrophobicContact CG-CD1 4.34Å; P57-I75 HydrophobicContact CG-CG1 4.26Å; S73-I75 PolarHBondContact O-N 3.46Å; S73-I75 VanDerWaalsContact O-N 3.16Å; I75-L125 HydrophobicContact CD1-CB 4.25Å; I75-L125 HydrophobicContact CG2-CB 4.41Å; I75-L125 HydrophobicContact CG2-CD1 4.39Å; I75-Q126 HydrophobicContact CB-CG 4.14Å; I75-Q126 HydrophobicContact CD1-CG 4.42Å; I75-Q126 HydrophobicContact CG1-CG 4.23Å; I75-Y129 HydrophobicContact CD1-CG 4.25Å; I75-F138 HydrophobicContact CD1-CD1 3.7Å; I75-F138 HydrophobicContact CD1-CE1 3.7Å
76K97.5Very high95.8Very high90 Ų9069.7 Ų69.739%0.39133%0.325SS..EExtended strand (participates in β ladder)trans-108.5109.7167.2-172.9-173.2175.8-154.50108.9D54 R55D54-K76 WeakPolarHBondContact CA-O 3.22Å; D54-K76 HydrophobicContact CB-CD 4.41Å; D54-K76 HydrophobicContact CB-CG 4.45Å; D54-K76 WeakPolarHBondContact CB-O 3.49Å; D54-K76 PolarHBondContact N-O 3.47Å; D54-K76 WeakPolarHBondContact OD2-CD 3.46Å; D54-K76 VanDerWaalsContact OD2-CE 3.28Å; D54-K76 WeakPolarHBondContact OD2-CE 3.35Å; D54-K76 IonicContact OD2-NZ 2.76Å; D54-K76 PolarHBondContact OD2-NZ 2.91Å; R55-K76 HydrophobicContact CB-CB 3.5Å; R55-K76 HydrophobicContact CB-CD 4.49Å; R55-K76 PolarHBondContact N-O 3.1Å; R55-K76 VanDerWaalsContact N-O 3.1Å; R55-K76 PolarHBondContact O-N 2.91Å; R55-K76 VanDerWaalsContact O-N 3.09Å
77P97.6Very high95.9Very high9 Ų961.4 Ų61.46%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-84.5163.4178.334.5-37000112.8G52 K118 A121 K122 L125G52-P77 CarbonylContact O-C 3.59Å; G52-P77 WeakPolarHBondContact O-CA 3.48Å; P77-K118 VanDerWaalsContact CG-O 3.22Å; P77-K118 WeakPolarHBondContact CG-O 3.26Å; P77-A121 HydrophobicContact CB-CB 3.99Å; P77-A121 HydrophobicContact CG-CB 4.15Å; P77-K122 HydrophobicContact CG-CB 3.77Å; P77-L125 HydrophobicContact CB-CD1 3.92Å
78F97.1Very high95.9Very high0 Ų056.8 Ų56.80%027%0.272CS..EExtended strand (participates in β ladder)trans-126.7152.1160.266.6-92.1000109.8V20 Y25 R28 A30 V50 V51 G52 D54 K80V20-F78 HydrophobicContact CG2-CE2 4.43Å; V20-F78 HydrophobicContact CG2-CZ 4.11Å; Y25-F78 HydrophobicContact CD1-CB 4.31Å; Y25-F78 AromaticContact CD1-CD1 3.67Å; Y25-F78 HydrophobicContact CD1-CD1 3.67Å; Y25-F78 HydrophobicContact CD1-CD2 4.47Å; Y25-F78 HydrophobicContact CD1-CE1 4.03Å; Y25-F78 AromaticContact CD1-CG 3.91Å; Y25-F78 HydrophobicContact CD1-CG 3.91Å; Y25-F78 HydrophobicContact CD2-CB 4.36Å; Y25-F78 HydrophobicContact CD2-CD1 4.37Å; Y25-F78 AromaticContact CD2-CD2 3.71Å; Y25-F78 HydrophobicContact CD2-CD2 3.71Å; Y25-F78 HydrophobicContact CD2-CE2 4.02Å; Y25-F78 AromaticContact CD2-CG 3.9Å; Y25-F78 HydrophobicContact CD2-CG 3.9Å; Y25-F78 HydrophobicContact CD2-CZ 4.46Å; Y25-F78 HydrophobicContact CE1-CB 3.76Å; Y25-F78 AromaticContact CE1-CD1 3.93Å; Y25-F78 HydrophobicContact CE1-CD1 3.93Å; Y25-F78 AromaticContact CE1-CG 3.87Å; Y25-F78 HydrophobicContact CE1-CG 3.87Å; Y25-F78 HydrophobicContact CE2-CB 3.82Å; Y25-F78 AromaticContact CE2-CD2 3.91Å; Y25-F78 HydrophobicContact CE2-CD2 3.91Å; Y25-F78 AromaticContact CE2-CG 3.87Å; Y25-F78 HydrophobicContact CE2-CG 3.87Å; Y25-F78 AromaticContact CG-CD1 3.92Å; Y25-F78 HydrophobicContact CG-CD1 3.92Å; Y25-F78 HydrophobicContact CG-CD2 4.02Å; Y25-F78 AromaticContact CG-CE1 3.99Å; Y25-F78 HydrophobicContact CG-CE1 3.99Å; Y25-F78 HydrophobicContact CG-CE2 4.1Å; Y25-F78 AromaticContact CG-CG 3.93Å; Y25-F78 HydrophobicContact CG-CG 3.93Å; Y25-F78 HydrophobicContact CG-CZ 4.08Å; Y25-F78 VanDerWaalsContact CZ-CB 3.47Å; Y25-F78 AromaticContact CZ-CG 3.85Å; R28-F78 HydrophobicContact CB-CE1 3.75Å; R28-F78 HydrophobicContact CB-CZ 4.07Å; R28-F78 HydrophobicContact CG-CE1 4.3Å; A30-F78 HydrophobicContact CB-CE2 4.38Å; A30-F78 HydrophobicContact CB-CZ 4.1Å; V50-F78 HydrophobicContact CG2-CE2 4.26Å; V51-F78 WeakPolarHBondContact CA-O 3.41Å; G52-F78 VanDerWaalsContact C-CD1 3.46Å; G52-F78 PolarHBondContact N-O 2.91Å; G52-F78 WeakPolarHBondContact O-CD1 3.24Å; G52-F78 PolarHBondContact O-N 3.31Å; D54-F78 HydrophobicContact CB-CD1 4.07Å; F78-K80 HydrophobicContact CD2-CB 4.22Å
79V96.6Very high95.9Very high9 Ų952.6 Ų52.66%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-124.6128.8170.9-170.40000106.2L49 V50 V51 I103 M108 A117 K118 A121L49-V79 HydrophobicContact CD1-CG1 3.88Å; V50-V79 WeakPolarHBondContact O-CA 3.46Å; V51-V79 HydrophobicContact CG2-CG1 4.2Å; V51-V79 HydrophobicContact CG2-CG2 4.13Å; V79-I103 HydrophobicContact CG1-CG2 3.85Å; V79-M108 HydrophobicContact CB-CE 3.74Å; V79-M108 HydrophobicContact CB-SD 3.94Å; V79-M108 HydrophobicContact CG1-CE 3.3Å; V79-M108 HydrophobicContact CG1-SD 3.72Å; V79-A117 HydrophobicContact CG2-CB 4.48Å; V79-K118 HydrophobicContact CG2-CG 4.23Å; V79-A121 HydrophobicContact CG2-CB 4.31Å
80K95.9Very high95.9Very high80 Ų8050.9 Ų50.935%0.34826%0.255SS..EExtended strand (participates in β ladder)trans-152.5148.7-175.2-165.5173.3179.4-174.90110.9Y25 V50 F78 V82Y25-K80 HydrophobicContact CD2-CD 3.94Å; Y25-K80 HydrophobicContact CE2-CD 4.1Å; V50-K80 WeakPolarHBondContact CG2-O 3.39Å; V50-K80 PolarHBondContact N-O 3.38Å; V50-K80 PolarHBondContact O-N 2.8Å; F78-K80 HydrophobicContact CD2-CB 4.22Å; K80-V82 HydrophobicContact CB-CG2 4.06Å; K80-V82 HydrophobicContact CD-CG2 4.08Å; K80-V82 HydrophobicContact CG-CG2 3.92Å
81V95.3Very high96Very high23 Ų2355.4 Ų55.414%0.13927%0.267CS..EExtended strand (participates in β ladder)trans-91.4123.5165.1-179.70000108.6K43 H47 A48 L49 K105 M108K43-V81 HydrophobicContact CD-CG1 4.49Å; H47-V81 HydrophobicContact CB-CG1 4.23Å; H47-V81 WeakPolarHBondContact CD2-CG1 3.23Å; A48-V81 CarbonylContact O-C 3.59Å; A48-V81 WeakPolarHBondContact O-CA 3.37Å; L49-V81 HydrophobicContact CD1-CG2 3.85Å; V81-K105 HydrophobicContact CG2-CG 4.28Å; V81-M108 HydrophobicContact CG2-CG 4.32Å
82V96Very high96Very high10 Ų1055.4 Ų55.46%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-129.9134.9-172.3-171.50000109.8H47 A48 V50 K80 H86 L87H47-V82 CarbonylContact C-O 3.47Å; H47-V82 VanDerWaalsContact CA-O 3.28Å; H47-V82 WeakPolarHBondContact CA-O 3.39Å; H47-V82 VanDerWaalsContact CB-O 3.26Å; H47-V82 WeakPolarHBondContact CB-O 3.36Å; A48-V82 PolarHBondContact N-O 2.74Å; A48-V82 PolarHBondContact O-N 3.4Å; V50-V82 HydrophobicContact CG2-CG2 3.82Å; K80-V82 HydrophobicContact CB-CG2 4.06Å; K80-V82 HydrophobicContact CD-CG2 4.08Å; K80-V82 HydrophobicContact CG-CG2 3.92Å; V82-H86 HydrophobicContact CG1-CB 3.79Å; V82-L87 HydrophobicContact CB-CD1 4.2Å; V82-L87 HydrophobicContact CB-CD2 4.04Å; V82-L87 HydrophobicContact CB-CG 4.13Å; V82-L87 HydrophobicContact CG1-CD1 4.39Å; V82-L87 HydrophobicContact CG1-CD2 3.72Å; V82-L87 HydrophobicContact CG1-CG 3.79Å
83N96Very high96Very high30 Ų3056.9 Ų56.916%0.1628%0.278CS..EExtended strand (participates in β ladder)trans-60.3140.2172-176.5-27.7000109.8Y45 G46 N85 H86Y45-N83 HydrophobicContact CD2-CB 3.99Å; Y45-N83 HydrophobicContact CE2-CB 3.8Å; G46-N83 PolarHBondContact O-OD1 3.1Å; N83-N85 PolarHBondContact O-N 3.49Å; N83-N85 PolarHBondContact OD1-N 2.91Å; N83-H86 PolarHBondContact O-N 2.77Å
84Y95.5Very high95.9Very high40 Ų4055.9 Ų55.916%0.15727%0.271CS..G310 helixtrans-55.6-34.5175.8-68.7-26.6000114.1M12 S35 Y36 D37 G46 H47 A48 H86 L87M12-Y84 HydrophobicContact CB-CD1 4.39Å; M12-Y84 HydrophobicContact CB-CE1 3.77Å; M12-Y84 HydrophobicContact CE-CD1 4.49Å; M12-Y84 HydrophobicContact CG-CD1 3.84Å; M12-Y84 HydrophobicContact CG-CE1 3.75Å; M12-Y84 HydrophobicContact CG-CG 4.36Å; M12-Y84 HydrophobicContact SD-CD1 4.4Å; S35-Y84 WeakPolarHBondContact CA-OH 3.35Å; S35-Y84 WeakPolarHBondContact CB-OH 3.22Å; Y36-Y84 PolarHBondContact N-OH 3.1Å; D37-Y84 WeakPolarHBondContact OD1-CE2 3.18Å; D37-Y84 PolarHBondContact OD1-OH 2.79Å; G46-Y84 PolarHBondContact O-N 2.85Å; G46-Y84 VanDerWaalsContact O-N 3.1Å; H47-Y84 VanDerWaalsContact C-CE1 3.43Å; A48-Y84 HydrophobicContact CB-CD1 4.36Å; A48-Y84 HydrophobicContact CB-CE1 3.7Å; Y84-H86 PolarHBondContact O-N 3.3Å; Y84-H86 VanDerWaalsContact O-N 3.08Å; Y84-L87 HydrophobicContact CD1-CD1 4.32Å; Y84-L87 PolarHBondContact O-N 3.23Å
85N95.7Very high95.7Very high129 Ų12956.7 Ų56.769%0.6928%0.281SS*.G310 helixtrans-61.9-20.9176.6-63.7-8.5000112.6N83N83-N85 PolarHBondContact O-N 3.49Å; N83-N85 PolarHBondContact OD1-N 2.91Å
86H97.2Very high95.5Very high85 Ų8557.5 Ų57.539%0.39429%0.285SS..G310 helixtrans-100.111.8177.5-54.1155.9000112.7L21 A22 V82 N83 Y84L21-H86 PolarHBondContact N-O 2.87Å; A22-H86 HydrophobicContact CB-CB 4.07Å; V82-H86 HydrophobicContact CG1-CB 3.79Å; N83-H86 PolarHBondContact O-N 2.77Å; Y84-H86 PolarHBondContact O-N 3.3Å; Y84-H86 VanDerWaalsContact O-N 3.08Å
87L97Very high95.2Very high7 Ų758.5 Ų58.54%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-124.2123.7177.9-65.4179000109.7M12 V18 L19 V20 A48 V50 V82 Y84M12-L87 HydrophobicContact CE-CB 3.76Å; V18-L87 HydrophobicContact CB-CB 4.38Å; V18-L87 HydrophobicContact CB-CD2 4.33Å; V18-L87 HydrophobicContact CG2-CD1 4.36Å; V18-L87 HydrophobicContact CG2-CD2 3.86Å; L19-L87 CarbonylContact O-C 3.09Å; L19-L87 WeakPolarHBondContact O-CA 3.3Å; V20-L87 HydrophobicContact CG2-CD2 3.98Å; A48-L87 HydrophobicContact CB-CD1 4.05Å; V50-L87 HydrophobicContact CG1-CD1 4Å; V82-L87 HydrophobicContact CB-CD1 4.2Å; V82-L87 HydrophobicContact CB-CD2 4.04Å; V82-L87 HydrophobicContact CB-CG 4.13Å; V82-L87 HydrophobicContact CG1-CD1 4.39Å; V82-L87 HydrophobicContact CG1-CD2 3.72Å; V82-L87 HydrophobicContact CG1-CG 3.79Å; Y84-L87 HydrophobicContact CD1-CD1 4.32Å; Y84-L87 PolarHBondContact O-N 3.23Å
88M96.4Very high94.9Very high88 Ų8858.8 Ų58.843%0.43330%0.299SS..EExtended strand (participates in β ladder)trans-93.2115.8168-171.1177.779.800108.8V18 L19 L21V18-M88 CarbonylContact C-O 3.59Å; V18-M88 VanDerWaalsContact CA-O 3.31Å; V18-M88 WeakPolarHBondContact CA-O 3.33Å; L19-M88 HydrophobicContact CB-CB 4.24Å; L19-M88 HydrophobicContact CB-CE 4.21Å; L19-M88 HydrophobicContact CD1-CE 3.35Å; L19-M88 HydrophobicContact CG-CE 4.34Å; L19-M88 PolarHBondContact N-O 3.37Å; L19-M88 PolarHBondContact O-N 2.86Å; L21-M88 HydrophobicContact CD1-CB 4.1Å; L21-M88 HydrophobicContact CD2-CB 3.9Å; L21-M88 HydrophobicContact CG-CB 4.08Å
89P95.5Very high94.7Very high51 Ų5161.8 Ų61.833%0.33132%0.315SS..EExtended strand (participates in β ladder)trans-66.1148.2174.329-32.4000110.3L11 M12L11-P89 HydrophobicContact CB-CB 4.38Å; L11-P89 HydrophobicContact CB-CG 4.48Å; L11-P89 HydrophobicContact CD1-CG 4.39Å; M12-P89 HydrophobicContact CE-CB 3.97Å; M12-P89 HydrophobicContact CE-CG 4.1Å; M12-P89 HydrophobicContact SD-CB 4.36Å
90T95.8Very high94.4Very high26 Ų2665.6 Ų65.616%0.1634%0.338CS..EExtended strand (participates in β ladder)trans-124161.7176.478.20000109.9V17 L19 H92 W136V17-T90 WeakPolarHBondContact O-CB 3.38Å; V17-T90 PolarHBondContact O-N 3.3Å; V17-T90 VanDerWaalsContact O-N 3.08Å; V17-T90 PolarHBondContact O-OG1 3.1Å; L19-T90 HydrophobicContact CD1-CG2 4.09Å; L19-T90 HydrophobicContact CG-CG2 4.07Å; T90-H92 PolarHBondContact O-N 3.43Å; T90-H92 PolarHBondContact OG1-N 2.62Å; T90-W136 HydrophobicContact CG2-CH2 4.09Å
91R94.7Very high94.2Very high227 Ų22770 Ų7086%0.85736%0.357SS*.EExtended strand (participates in β ladder)trans-62-22.6173.7-177.6-179.763.8-178.2-2.5113
92H95.7Very high94Very high63 Ų6371.7 Ų71.729%0.29237%0.365SS..EExtended strand (participates in β ladder)trans-76.5136.2-172.3-62.6-76.6000111.5V17 T90 W136V17-H92 HydrophobicContact CB-CB 4.04Å; V17-H92 WeakPolarHBondContact CB-O 3.38Å; V17-H92 HydrophobicContact CG2-CB 4.07Å; V17-H92 PolarHBondContact N-O 3.01Å; T90-H92 PolarHBondContact O-N 3.43Å; T90-H92 PolarHBondContact OG1-N 2.62Å; H92-W136 HydrophobicContact CB-CE3 4.19Å; H92-W136 HydrophobicContact CB-CZ3 4.16Å; H92-W136 AromaticContact CD2-CD2 3.62Å; H92-W136 AromaticContact CD2-CE2 3.94Å; H92-W136 AromaticContact CD2-CE3 3.29Å; H92-W136 AromaticContact CD2-CH2 3.7Å; H92-W136 AromaticContact CD2-CZ3 3.32Å; H92-W136 WeakPolarHBondContact CD2-CZ3 3.36Å; H92-W136 AromaticContact CG-CE3 3.66Å; H92-W136 AromaticContact CG-CZ3 3.88Å; H92-W136 AromaticContact NE2-CD2 3.52Å; H92-W136 AromaticContact NE2-CE2 3.74Å; H92-W136 AromaticContact NE2-CE3 3.72Å; H92-W136 AromaticContact NE2-CG 3.93Å
93S93.7Very high93.8Very high84 Ų8471.3 Ų71.359%0.58736%0.363SS*.EExtended strand (participates in β ladder)trans-118.1148167.757.20000109.8G15G15-S93 CarbonylContact O-C 3.59Å; G15-S93 WeakPolarHBondContact O-CA 3.46Å
94V93Very high93.7Very high3 Ų372.1 Ų72.12%0.01837%0.367CS..  trans-134.5114.4179.5174.10000107.7G15 V17 I31 I96 N134 F137G15-V94 PolarHBondContact O-N 3.45Å; V17-V94 HydrophobicContact CG2-CB 4.14Å; V17-V94 HydrophobicContact CG2-CG2 3.43Å; V17-V94 VanDerWaalsContact CG2-CG2 3.43Å; I31-V94 HydrophobicContact CD1-CB 3.88Å; I31-V94 HydrophobicContact CD1-CG1 3.67Å; I31-V94 HydrophobicContact CG1-CB 4.26Å; V94-I96 VanDerWaalsContact C-N 3.31Å; V94-I96 HydrophobicContact CG1-CB 4.39Å; V94-I96 HydrophobicContact CG1-CD1 3.49Å; V94-I96 VanDerWaalsContact CG1-CD1 3.49Å; V94-I96 HydrophobicContact CG1-CG1 3.57Å; V94-I96 PolarHBondContact O-N 3.5Å; V94-I96 VanDerWaalsContact O-N 3.09Å; V94-N134 HydrophobicContact CG2-CB 4.03Å; V94-F137 HydrophobicContact CG2-CB 4.31Å; V94-F137 HydrophobicContact CG2-CG 4.33Å
95N90.4Very high93.4Very high131 Ų13171.9 Ų71.970%0.70137%0.367SS*.  trans-87.164.3-178.1-171.211.2000111.3R128N95-R128 PolarHBondContact O-NH2 3.39Å
96I92.3Very high93.1Very high22 Ų2270.5 Ų70.511%0.11336%0.359CS..  trans-94.5121.4172-66.1164.8000108.4I31 V94 F98 K124 L125 R128I31-I96 HydrophobicContact CD1-CD1 3.97Å; V94-I96 VanDerWaalsContact C-N 3.31Å; V94-I96 HydrophobicContact CG1-CB 4.39Å; V94-I96 HydrophobicContact CG1-CD1 3.49Å; V94-I96 VanDerWaalsContact CG1-CD1 3.49Å; V94-I96 HydrophobicContact CG1-CG1 3.57Å; V94-I96 PolarHBondContact O-N 3.5Å; V94-I96 VanDerWaalsContact O-N 3.09Å; I96-F98 HydrophobicContact CB-CD2 4.17Å; I96-F98 HydrophobicContact CB-CE2 3.61Å; I96-F98 HydrophobicContact CB-CZ 3.94Å; I96-F98 HydrophobicContact CD1-CZ 4.25Å; I96-F98 HydrophobicContact CG2-CD1 4.19Å; I96-F98 HydrophobicContact CG2-CD2 3.87Å; I96-F98 HydrophobicContact CG2-CE1 3.82Å; I96-F98 HydrophobicContact CG2-CE2 3.49Å; I96-F98 VanDerWaalsContact CG2-CE2 3.49Å; I96-F98 HydrophobicContact CG2-CG 4.23Å; I96-F98 HydrophobicContact CG2-CZ 3.46Å; I96-F98 VanDerWaalsContact CG2-CZ 3.46Å; I96-F98 VanDerWaalsContact O-CD2 3.23Å; I96-F98 WeakPolarHBondContact O-CD2 3.23Å; I96-F98 PolarHBondContact O-N 2.61Å; I96-K124 HydrophobicContact CG2-CB 3.83Å; I96-K124 HydrophobicContact CG2-CG 4.47Å; I96-L125 HydrophobicContact CD1-CD2 3.93Å; I96-R128 HydrophobicContact CD1-CB 3.94Å; I96-R128 HydrophobicContact CD1-CG 3.91Å; I96-R128 HydrophobicContact CG1-CB 4.24Å; I96-R128 HydrophobicContact CG1-CG 4.11Å
97V91.6Very high92.7Very high112 Ų11266.6 Ų66.668%0.67934%0.341SS*.  trans-76.8106.9173.5-174.10000108.8
98F92.1Very high92.3Very high15 Ų1567.4 Ų67.47%0.06635%0.345CS..  trans-98.3142.2171.7-65.9-80.6000109.9I31 I33 V51 I96 T100 I103 A121 K124 L125I31-F98 HydrophobicContact CD1-CE2 4.21Å; I31-F98 HydrophobicContact CD1-CZ 4.37Å; I33-F98 HydrophobicContact CD1-CB 4.26Å; I33-F98 HydrophobicContact CD1-CD2 3.21Å; I33-F98 HydrophobicContact CD1-CE2 3.6Å; I33-F98 HydrophobicContact CD1-CG 3.86Å; V51-F98 HydrophobicContact CB-CZ 4.39Å; V51-F98 HydrophobicContact CG1-CE1 4.03Å; V51-F98 HydrophobicContact CG1-CZ 4Å; I96-F98 HydrophobicContact CB-CD2 4.17Å; I96-F98 HydrophobicContact CB-CE2 3.61Å; I96-F98 HydrophobicContact CB-CZ 3.94Å; I96-F98 HydrophobicContact CD1-CZ 4.25Å; I96-F98 HydrophobicContact CG2-CD1 4.19Å; I96-F98 HydrophobicContact CG2-CD2 3.87Å; I96-F98 HydrophobicContact CG2-CE1 3.82Å; I96-F98 HydrophobicContact CG2-CE2 3.49Å; I96-F98 VanDerWaalsContact CG2-CE2 3.49Å; I96-F98 HydrophobicContact CG2-CG 4.23Å; I96-F98 HydrophobicContact CG2-CZ 3.46Å; I96-F98 VanDerWaalsContact CG2-CZ 3.46Å; I96-F98 VanDerWaalsContact O-CD2 3.23Å; I96-F98 WeakPolarHBondContact O-CD2 3.23Å; I96-F98 PolarHBondContact O-N 2.61Å; F98-T100 PolarHBondContact O-N 2.97Å; F98-T100 VanDerWaalsContact O-N 3.11Å; F98-I103 HydrophobicContact CB-CD1 4.16Å; F98-I103 HydrophobicContact CD1-CD1 3.86Å; F98-I103 HydrophobicContact CG-CD1 4.31Å; F98-A121 HydrophobicContact CE1-CB 4.49Å; F98-K124 HydrophobicContact CD1-CB 4.22Å; F98-K124 HydrophobicContact CD1-CG 4.27Å; F98-K124 HydrophobicContact CE1-CB 3.88Å; F98-K124 HydrophobicContact CE1-CG 4.44Å; F98-L125 HydrophobicContact CZ-CD2 4.42Å
99D91.9Very high92Very high62 Ų6269.2 Ų69.233%0.33235%0.351SS..  trans-71107.5173-172.4-9.4000110.4K101 I102 I103D99-K101 PolarHBondContact O-N 2.86Å; D99-K101 VanDerWaalsContact OD1-CB 3.24Å; D99-K101 WeakPolarHBondContact OD1-CB 3.28Å; D99-K101 PolarHBondContact OD1-N 2.69Å; D99-I102 HydrophobicContact CB-CB 4.38Å; D99-I102 HydrophobicContact CB-CD1 4.09Å; D99-I102 HydrophobicContact CB-CG1 4.22Å; D99-I102 PolarHBondContact O-N 2.86Å; D99-I102 WeakPolarHBondContact OD2-CD1 3.24Å; D99-I102 WeakPolarHBondContact OD2-CG1 3.4Å; D99-I103 PolarHBondContact O-N 2.94Å
100T90.5Very high91.8Very high89 Ų8970.2 Ų70.255%0.54635%0.353SS..THydrogen-bonded Turntrans-71.6-15.6-179.957.30000112.9I33 F98I33-T100 HydrophobicContact CG2-CG2 4.32Å; F98-T100 PolarHBondContact O-N 2.97Å; F98-T100 VanDerWaalsContact O-N 3.11Å
101K91Very high91.7Very high174 Ų17476.4 Ų76.476%0.75738%0.378SS*.THydrogen-bonded Turntrans-72.4-36.5171.5-59.6-179.5179.6179.40110.7D99 N104D99-K101 PolarHBondContact O-N 2.86Å; D99-K101 VanDerWaalsContact OD1-CB 3.24Å; D99-K101 WeakPolarHBondContact OD1-CB 3.28Å; D99-K101 PolarHBondContact OD1-N 2.69Å; K101-N104 PolarHBondContact O-ND2 2.75Å
102I92.1Very high91.7Very high58 Ų5868.7 Ų68.730%0.29736%0.359SS..THydrogen-bonded Turntrans-83.9-46177.4-58173.8000110.6D99 N104 A107 K116 A117 E120D99-I102 HydrophobicContact CB-CB 4.38Å; D99-I102 HydrophobicContact CB-CD1 4.09Å; D99-I102 HydrophobicContact CB-CG1 4.22Å; D99-I102 PolarHBondContact O-N 2.86Å; D99-I102 WeakPolarHBondContact OD2-CD1 3.24Å; D99-I102 WeakPolarHBondContact OD2-CG1 3.4Å; I102-N104 PolarHBondContact O-N 3.02Å; I102-A107 WeakPolarHBondContact O-CB 3.34Å; I102-K116 HydrophobicContact CG2-CB 4.47Å; I102-A117 HydrophobicContact CG2-CB 4.41Å; I102-E120 HydrophobicContact CD1-CG 4.45Å; I102-E120 HydrophobicContact CG2-CB 4.33Å
103I92.5Very high91.7Very high2 Ų269.1 Ų69.11%0.0136%0.363CS..SBendtrans-93.882.8-178.4-56.1-171.4000109.2I33 L49 V51 V79 F98 D99 A117 E120 A121I33-I103 HydrophobicContact CG1-CG2 4.4Å; I33-I103 HydrophobicContact CG2-CG2 4.42Å; L49-I103 HydrophobicContact CD2-CG2 4.04Å; L49-I103 WeakPolarHBondContact CD2-O 3.47Å; L49-I103 HydrophobicContact CG-CG2 4.46Å; V51-I103 HydrophobicContact CG2-CD1 4Å; V51-I103 HydrophobicContact CG2-CG2 3.93Å; V79-I103 HydrophobicContact CG1-CG2 3.85Å; F98-I103 HydrophobicContact CB-CD1 4.16Å; F98-I103 HydrophobicContact CD1-CD1 3.86Å; F98-I103 HydrophobicContact CG-CD1 4.31Å; D99-I103 PolarHBondContact O-N 2.94Å; I103-A117 HydrophobicContact CG1-CB 4.18Å; I103-E120 HydrophobicContact CD1-CG 4.37Å; I103-A121 HydrophobicContact CD1-CB 4.21Å
104N92.5Very high91.7Very high47 Ų4770 Ų7025%0.25135%0.354SS..SBendtrans-131.1176.2178.567.844.6000112.2K101 I102 N106 A107K101-N104 PolarHBondContact O-ND2 2.75Å; I102-N104 PolarHBondContact O-N 3.02Å; N104-N106 PolarHBondContact O-N 2.88Å; N104-N106 WeakPolarHBondContact OD1-CA 3.32Å; N104-N106 WeakPolarHBondContact OD1-CB 3.4Å; N104-N106 PolarHBondContact OD1-N 3.2Å; N104-A107 PolarHBondContact O-N 3.1Å; N104-A107 PolarHBondContact OD1-N 2.83Å
105K90.6Very high91.9Very high35 Ų3576.6 Ų76.615%0.15238%0.382CS..SBendtrans-61.4-39.9177.4-79.8-179.6164.2171.10112.8Y36 S40 H47 V81 A107 M108Y36-K105 HydrophobicContact CE1-CD 4.02Å; Y36-K105 HydrophobicContact CE2-CD 3.96Å; Y36-K105 HydrophobicContact CE2-CG 4.21Å; Y36-K105 VanDerWaalsContact CG-NZ 3.29Å; Y36-K105 WeakPolarHBondContact OH-CD 3.49Å; S40-K105 VanDerWaalsContact CB-NZ 3.34Å; S40-K105 PolarHBondContact OG-NZ 3.32Å; S40-K105 VanDerWaalsContact OG-NZ 3.07Å; H47-K105 WeakPolarHBondContact NE2-CE 3.45Å; H47-K105 PolarHBondContact NE2-NZ 2.99Å; V81-K105 HydrophobicContact CG2-CG 4.28Å; K105-A107 VanDerWaalsContact C-N 3.32Å; K105-A107 PolarHBondContact O-N 3.1Å; K105-M108 VanDerWaalsContact O-CB 3.3Å; K105-M108 WeakPolarHBondContact O-CB 3.21Å; K105-M108 PolarHBondContact O-N 2.92Å
106N89.3Confident92.1Very high100 Ų10076.5 Ų76.554%0.53538%0.375SS..G310 helixtrans-66.2-35.1-178.4-63.8-19000112.1N104 M108 K109N104-N106 PolarHBondContact O-N 2.88Å; N104-N106 WeakPolarHBondContact OD1-CA 3.32Å; N104-N106 WeakPolarHBondContact OD1-CB 3.4Å; N104-N106 PolarHBondContact OD1-N 3.2Å; N106-M108 PolarHBondContact O-N 2.64Å; N106-M108 VanDerWaalsContact O-N 3.1Å; N106-K109 WeakPolarHBondContact O-CB 3.44Å; N106-K109 PolarHBondContact O-N 3.11Å
107A88.8Confident92.3Very high2 Ų275.5 Ų75.52%0.01737%0.37CS..G310 helixtrans-62.2-17.8173.500000112.7I102 N104 K105 L113 R114 A117I102-A107 WeakPolarHBondContact O-CB 3.34Å; N104-A107 PolarHBondContact O-N 3.1Å; N104-A107 PolarHBondContact OD1-N 2.83Å; K105-A107 VanDerWaalsContact C-N 3.32Å; K105-A107 PolarHBondContact O-N 3.1Å; A107-L113 HydrophobicContact CB-CB 3.94Å; A107-R114 WeakPolarHBondContact O-CA 3.33Å; A107-R114 VanDerWaalsContact O-CB 3.27Å; A107-R114 WeakPolarHBondContact O-CB 3.32Å; A107-R114 PolarHBondContact O-N 2.8Å; A107-R114 VanDerWaalsContact O-N 3.08Å; A107-A117 HydrophobicContact CB-CB 4.36Å
108M87.3Confident92.5Very high24 Ų2473.6 Ų73.612%0.11835%0.353CS..G310 helixtrans-83.1-13174-57.4-56.9113.400112.8L49 V79 V81 K105 N106 R114 A117L49-M108 HydrophobicContact CD1-CG 4.23Å; V79-M108 HydrophobicContact CB-CE 3.74Å; V79-M108 HydrophobicContact CB-SD 3.94Å; V79-M108 HydrophobicContact CG1-CE 3.3Å; V79-M108 HydrophobicContact CG1-SD 3.72Å; V81-M108 HydrophobicContact CG2-CG 4.32Å; K105-M108 VanDerWaalsContact O-CB 3.3Å; K105-M108 WeakPolarHBondContact O-CB 3.21Å; K105-M108 PolarHBondContact O-N 2.92Å; N106-M108 PolarHBondContact O-N 2.64Å; N106-M108 VanDerWaalsContact O-N 3.1Å; M108-R114 PolarHBondContact O-NE 2.83Å; M108-R114 PolarHBondContact O-NH2 2.89Å; M108-R114 HydrophobicContact SD-CG 4.38Å; M108-A117 HydrophobicContact CE-CB 4.13Å
109K89.7Confident92.7Very high127 Ų12777.6 Ų77.655%0.55237%0.374SS*.THydrogen-bonded Turntrans-85.1-47.2178.6-61.6-177.2-179.8179.20111.6E42 N106E42-K109 WeakPolarHBondContact OE1-CE 3.43Å; E42-K109 IonicContact OE1-NZ 2.62Å; E42-K109 PolarHBondContact OE1-NZ 3.22Å; E42-K109 IonicContact OE2-NZ 3.86Å; N106-K109 WeakPolarHBondContact O-CB 3.44Å; N106-K109 PolarHBondContact O-N 3.11Å
110D92.8Very high92.9Very high72 Ų7276.4 Ų76.439%0.38537%0.367SS..SBendtrans-90138.5179.4172.534000113.1S112 L113 R114D110-S112 PolarHBondContact OD1-N 2.76Å; D110-S112 VanDerWaalsContact OD1-N 3.14Å; D110-S112 VanDerWaalsContact OD2-CB 3.27Å; D110-S112 WeakPolarHBondContact OD2-CB 3.49Å; D110-S112 PolarHBondContact OD2-N 2.66Å; D110-L113 HydrophobicContact CB-CB 4.31Å; D110-L113 HydrophobicContact CB-CD1 4.23Å; D110-L113 HydrophobicContact CB-CG 4.26Å; D110-L113 WeakPolarHBondContact OD2-CG 3.35Å; D110-L113 PolarHBondContact OD2-N 2.82Å; D110-L113 VanDerWaalsContact OD2-N 3.09Å; D110-R114 VanDerWaalsContact O-CB 3.23Å; D110-R114 WeakPolarHBondContact O-CB 3.46Å; D110-R114 PolarHBondContact O-N 3.09Å
111K94Very high93.2Very high155 Ų15572.2 Ų72.267%0.67434%0.341SS*.Hα-helixtrans-65.2-36.8177.9-172.4178.1-179.4-179.20112.2K115K111-K115 WeakPolarHBondContact O-CG 3.44Å; K111-K115 PolarHBondContact O-N 2.86Å; K111-K115 VanDerWaalsContact O-N 3.15Å
112S94.8Very high93.5Very high65 Ų6567.5 Ų67.546%0.45532%0.32SS..Hα-helixtrans-69.3-50.7179.9-171.80000110.8D110 R114 K115 K116D110-S112 PolarHBondContact OD1-N 2.76Å; D110-S112 VanDerWaalsContact OD1-N 3.14Å; D110-S112 VanDerWaalsContact OD2-CB 3.27Å; D110-S112 WeakPolarHBondContact OD2-CB 3.49Å; D110-S112 PolarHBondContact OD2-N 2.66Å; S112-R114 VanDerWaalsContact C-N 3.31Å; S112-R114 PolarHBondContact O-N 2.84Å; S112-K115 WeakPolarHBondContact O-CB 3.09Å; S112-K115 PolarHBondContact O-N 3.4Å; S112-K115 VanDerWaalsContact O-N 3.1Å; S112-K116 PolarHBondContact O-N 2.85Å; S112-K116 VanDerWaalsContact O-N 3.15Å
113L94.9Very high93.6Very high73 Ų7369.2 Ų69.238%0.38233%0.33SS..Hα-helixtrans-60.2-39.3174.9-63.9179.5000112.5A107 D110 K115 K116 A117A107-L113 HydrophobicContact CB-CB 3.94Å; D110-L113 HydrophobicContact CB-CB 4.31Å; D110-L113 HydrophobicContact CB-CD1 4.23Å; D110-L113 HydrophobicContact CB-CG 4.26Å; D110-L113 WeakPolarHBondContact OD2-CG 3.35Å; D110-L113 PolarHBondContact OD2-N 2.82Å; D110-L113 VanDerWaalsContact OD2-N 3.09Å; L113-K115 VanDerWaalsContact C-N 3.28Å; L113-K115 PolarHBondContact O-N 2.77Å; L113-K116 PolarHBondContact O-N 2.67Å; L113-K116 VanDerWaalsContact O-N 3.15Å; L113-A117 PolarHBondContact O-N 3.41Å
114R94.7Very high93.8Very high103 Ų10372.4 Ų72.439%0.38934%0.343SS..Hα-helixtrans-62.1-34.6176.1-161.5-174-63.2173.20.2112.4A107 M108 D110 S112 K118A107-R114 WeakPolarHBondContact O-CA 3.33Å; A107-R114 VanDerWaalsContact O-CB 3.27Å; A107-R114 WeakPolarHBondContact O-CB 3.32Å; A107-R114 PolarHBondContact O-N 2.8Å; A107-R114 VanDerWaalsContact O-N 3.08Å; M108-R114 PolarHBondContact O-NE 2.83Å; M108-R114 PolarHBondContact O-NH2 2.89Å; M108-R114 HydrophobicContact SD-CG 4.38Å; D110-R114 VanDerWaalsContact O-CB 3.23Å; D110-R114 WeakPolarHBondContact O-CB 3.46Å; D110-R114 PolarHBondContact O-N 3.09Å; S112-R114 VanDerWaalsContact C-N 3.31Å; S112-R114 PolarHBondContact O-N 2.84Å; R114-K118 WeakPolarHBondContact O-CG 3.38Å; R114-K118 PolarHBondContact O-N 2.97Å; R114-K118 VanDerWaalsContact O-N 3.12Å
115K95.6Very high94Very high141 Ų14170.1 Ų70.161%0.61333%0.331SS*.Hα-helixtrans-66.8-44.7173.9-75.9177.9178.3-177.40110.9K111 S112 L113 K118 L119K111-K115 WeakPolarHBondContact O-CG 3.44Å; K111-K115 PolarHBondContact O-N 2.86Å; K111-K115 VanDerWaalsContact O-N 3.15Å; S112-K115 WeakPolarHBondContact O-CB 3.09Å; S112-K115 PolarHBondContact O-N 3.4Å; S112-K115 VanDerWaalsContact O-N 3.1Å; L113-K115 VanDerWaalsContact C-N 3.28Å; L113-K115 PolarHBondContact O-N 2.77Å; K115-K118 PolarHBondContact O-N 3.08Å; K115-L119 PolarHBondContact O-N 2.92Å
116K95.7Very high94.2Very high129 Ų12970.3 Ų70.356%0.56133%0.333SS*.Hα-helixtrans-60.2-47.4176.4-65.9-174.9-174.5-176.20111.7I102 S112 L113 K118 L119 E120I102-K116 HydrophobicContact CG2-CB 4.47Å; S112-K116 PolarHBondContact O-N 2.85Å; S112-K116 VanDerWaalsContact O-N 3.15Å; L113-K116 PolarHBondContact O-N 2.67Å; L113-K116 VanDerWaalsContact O-N 3.15Å; K116-K118 VanDerWaalsContact C-N 3.33Å; K116-K118 PolarHBondContact O-N 2.84Å; K116-L119 WeakPolarHBondContact O-CB 3.28Å; K116-L119 PolarHBondContact O-N 2.97Å; K116-L119 VanDerWaalsContact O-N 3.1Å; K116-E120 PolarHBondContact O-N 3.08Å
117A96.1Very high94.4Very high0 Ų071.8 Ų71.80%034%0.336CS..Hα-helixtrans-59.5-39.6176.300000113.2V79 I102 I103 A107 M108 L113 A121V79-A117 HydrophobicContact CG2-CB 4.48Å; I102-A117 HydrophobicContact CG2-CB 4.41Å; I103-A117 HydrophobicContact CG1-CB 4.18Å; A107-A117 HydrophobicContact CB-CB 4.36Å; M108-A117 HydrophobicContact CE-CB 4.13Å; L113-A117 PolarHBondContact O-N 3.41Å; A117-A121 WeakPolarHBondContact O-CB 3.31Å; A117-A121 PolarHBondContact O-N 3.27Å
118K96.3Very high94.7Very high73 Ų7374 Ų7432%0.31734%0.344SS..Hα-helixtrans-68.9-35.2175-76.9177.3179.1-179.10112.8P77 V79 R114 K115 K116 K122P77-K118 VanDerWaalsContact CG-O 3.22Å; P77-K118 WeakPolarHBondContact CG-O 3.26Å; V79-K118 HydrophobicContact CG2-CG 4.23Å; R114-K118 WeakPolarHBondContact O-CG 3.38Å; R114-K118 PolarHBondContact O-N 2.97Å; R114-K118 VanDerWaalsContact O-N 3.12Å; K115-K118 PolarHBondContact O-N 3.08Å; K116-K118 VanDerWaalsContact C-N 3.33Å; K116-K118 PolarHBondContact O-N 2.84Å; K118-K122 VanDerWaalsContact O-CB 3.3Å; K118-K122 WeakPolarHBondContact O-CB 3.42Å; K118-K122 PolarHBondContact O-N 2.82Å
119L96.2Very high95Very high99 Ų9975 Ų7552%0.51835%0.347SS..Hα-helixtrans-65.7-47.5176.6-17961.5000110.5K115 K116 A121 K122 L123K115-L119 PolarHBondContact O-N 2.92Å; K116-L119 WeakPolarHBondContact O-CB 3.28Å; K116-L119 PolarHBondContact O-N 2.97Å; K116-L119 VanDerWaalsContact O-N 3.1Å; L119-A121 PolarHBondContact O-N 2.86Å; L119-K122 WeakPolarHBondContact O-CB 3.31Å; L119-K122 PolarHBondContact O-N 2.83Å; L119-K122 VanDerWaalsContact O-N 3.1Å; L119-L123 HydrophobicContact CG-CD1 4.48Å; L119-L123 WeakPolarHBondContact O-CG 3.36Å; L119-L123 PolarHBondContact O-N 3.34Å
120E95.6Very high95.2Very high37 Ų3776.8 Ų76.817%0.17336%0.355CS..Hα-helixtrans-57.6-50.6175.8-179.857.1-157.300111.3I102 I103 K116 K122 L123 K124I102-E120 HydrophobicContact CD1-CG 4.45Å; I102-E120 HydrophobicContact CG2-CB 4.33Å; I103-E120 HydrophobicContact CD1-CG 4.37Å; K116-E120 PolarHBondContact O-N 3.08Å; E120-K122 PolarHBondContact O-N 3.35Å; E120-L123 PolarHBondContact O-N 3.31Å; E120-K124 PolarHBondContact O-N 3Å; E120-K124 VanDerWaalsContact O-N 3.14Å; E120-K124 WeakPolarHBondContact OE1-CE 3.47Å
121A96.7Very high95.2Very high0 Ų076.2 Ų76.20%036%0.357CS..Hα-helixtrans-56.7-39.2175.600000112.5V51 P77 V79 F98 I103 A117 L119 L125V51-A121 HydrophobicContact CG1-CB 3.63Å; P77-A121 HydrophobicContact CB-CB 3.99Å; P77-A121 HydrophobicContact CG-CB 4.15Å; V79-A121 HydrophobicContact CG2-CB 4.31Å; F98-A121 HydrophobicContact CE1-CB 4.49Å; I103-A121 HydrophobicContact CD1-CB 4.21Å; A117-A121 WeakPolarHBondContact O-CB 3.31Å; A117-A121 PolarHBondContact O-N 3.27Å; L119-A121 PolarHBondContact O-N 2.86Å; A121-L125 VanDerWaalsContact O-CB 3.25Å; A121-L125 WeakPolarHBondContact O-CB 3.3Å; A121-L125 WeakPolarHBondContact O-CD1 3.36Å; A121-L125 WeakPolarHBondContact O-CG 3.39Å; A121-L125 PolarHBondContact O-N 3.07Å
122K96.8Very high95Very high76 Ų7675 Ų7533%0.3336%0.357SS..Hα-helixtrans-64.5-47.1179.7-179.3-175.9171.7-165.20111P77 K118 L119 E120 Q126P77-K122 HydrophobicContact CG-CB 3.77Å; K118-K122 VanDerWaalsContact O-CB 3.3Å; K118-K122 WeakPolarHBondContact O-CB 3.42Å; K118-K122 PolarHBondContact O-N 2.82Å; L119-K122 WeakPolarHBondContact O-CB 3.31Å; L119-K122 PolarHBondContact O-N 2.83Å; L119-K122 VanDerWaalsContact O-N 3.1Å; E120-K122 PolarHBondContact O-N 3.35Å; K122-Q126 VanDerWaalsContact CE-NE2 3.35Å; K122-Q126 HydrophobicContact CG-CG 4.41Å; K122-Q126 WeakPolarHBondContact O-CB 3.34Å; K122-Q126 VanDerWaalsContact O-CG 3.28Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-N 2.83Å
123L95.5Very high94.9Very high94 Ų9475.9 Ų75.949%0.49235%0.354SS..Hα-helixtrans-61.6-50.3-177.8-68.2175.1000110.8L119 E120 L125 Q126 Q127L119-L123 HydrophobicContact CG-CD1 4.48Å; L119-L123 WeakPolarHBondContact O-CG 3.36Å; L119-L123 PolarHBondContact O-N 3.34Å; E120-L123 PolarHBondContact O-N 3.31Å; L123-L125 PolarHBondContact O-N 2.97Å; L123-Q126 PolarHBondContact O-N 3.49Å; L123-Q127 WeakPolarHBondContact O-CB 3.32Å; L123-Q127 PolarHBondContact O-N 2.85Å
124K95.8Very high94.8Very high68 Ų6874.8 Ų74.830%0.29635%0.349SS..Hα-helixtrans-62-44.1179.2-64.8-67.1-176.7177.60112.8I96 F98 E120 Q127 R128I96-K124 HydrophobicContact CG2-CB 3.83Å; I96-K124 HydrophobicContact CG2-CG 4.47Å; F98-K124 HydrophobicContact CD1-CB 4.22Å; F98-K124 HydrophobicContact CD1-CG 4.27Å; F98-K124 HydrophobicContact CE1-CB 3.88Å; F98-K124 HydrophobicContact CE1-CG 4.44Å; E120-K124 PolarHBondContact O-N 3Å; E120-K124 VanDerWaalsContact O-N 3.14Å; E120-K124 WeakPolarHBondContact OE1-CE 3.47Å; K124-Q127 PolarHBondContact O-N 3.48Å; K124-R128 PolarHBondContact O-N 2.93Å
125L96.4Very high94.8Very high0 Ų073.2 Ų73.20%035%0.352CS..Hα-helixtrans-66-39.1178-73173.9000112.5V51 I53 I75 P77 I96 F98 A121 L123 Y129 F137 F138V51-L125 HydrophobicContact CG1-CD1 4.21Å; I53-L125 HydrophobicContact CG1-CD1 4.17Å; I75-L125 HydrophobicContact CD1-CB 4.25Å; I75-L125 HydrophobicContact CG2-CB 4.41Å; I75-L125 HydrophobicContact CG2-CD1 4.39Å; P77-L125 HydrophobicContact CB-CD1 3.92Å; I96-L125 HydrophobicContact CD1-CD2 3.93Å; F98-L125 HydrophobicContact CZ-CD2 4.42Å; A121-L125 VanDerWaalsContact O-CB 3.25Å; A121-L125 WeakPolarHBondContact O-CB 3.3Å; A121-L125 WeakPolarHBondContact O-CD1 3.36Å; A121-L125 WeakPolarHBondContact O-CG 3.39Å; A121-L125 PolarHBondContact O-N 3.07Å; L123-L125 PolarHBondContact O-N 2.97Å; L125-Y129 WeakPolarHBondContact O-CB 3.49Å; L125-Y129 PolarHBondContact O-N 3.45Å; L125-F137 HydrophobicContact CD2-CE1 3.67Å; L125-F137 HydrophobicContact CD2-CZ 4.43Å; L125-F138 HydrophobicContact CB-CE1 4.41Å; L125-F138 HydrophobicContact CD2-CE1 4.15Å; L125-F138 HydrophobicContact CD2-CZ 4.41Å; L125-F138 WeakPolarHBondContact O-CE1 3.42Å
126Q94.5Very high94.8Very high38 Ų3870.6 Ų70.618%0.17834%0.338CS..Hα-helixtrans-68.6-39.3176.2-75.8-175.6-12.700112I75 K122 L123 Y129 K130I75-Q126 HydrophobicContact CB-CG 4.14Å; I75-Q126 HydrophobicContact CD1-CG 4.42Å; I75-Q126 HydrophobicContact CG1-CG 4.23Å; K122-Q126 VanDerWaalsContact CE-NE2 3.35Å; K122-Q126 HydrophobicContact CG-CG 4.41Å; K122-Q126 WeakPolarHBondContact O-CB 3.34Å; K122-Q126 VanDerWaalsContact O-CG 3.28Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-N 2.83Å; L123-Q126 PolarHBondContact O-N 3.49Å; Q126-Y129 PolarHBondContact O-N 3.1Å; Q126-K130 WeakPolarHBondContact O-CG 3.16Å; Q126-K130 PolarHBondContact O-N 3.43Å
127Q94.2Very high94.8Very high131 Ų13164.6 Ų64.661%0.61231%0.312SS*.Hα-helixtrans-60-49174.6-174.6179.47.200110.8L123 K124 Y129 K130 S131L123-Q127 WeakPolarHBondContact O-CB 3.32Å; L123-Q127 PolarHBondContact O-N 2.85Å; K124-Q127 PolarHBondContact O-N 3.48Å; Q127-Y129 VanDerWaalsContact C-N 3.34Å; Q127-Y129 PolarHBondContact O-N 3.13Å; Q127-K130 PolarHBondContact O-N 2.76Å; Q127-S131 PolarHBondContact O-N 3.43Å
128R94.9Very high94.8Very high49 Ų4964.7 Ų64.719%0.18531%0.313CS..Hα-helixtrans-64.2-36.2177.5-175.870.383.4178.522.9112.9N95 I96 K124 K130 S131 E133 F138N95-R128 PolarHBondContact O-NH2 3.39Å; I96-R128 HydrophobicContact CD1-CB 3.94Å; I96-R128 HydrophobicContact CD1-CG 3.91Å; I96-R128 HydrophobicContact CG1-CB 4.24Å; I96-R128 HydrophobicContact CG1-CG 4.11Å; K124-R128 PolarHBondContact O-N 2.93Å; R128-K130 VanDerWaalsContact C-N 3.33Å; R128-K130 PolarHBondContact O-N 2.6Å; R128-S131 PolarHBondContact O-N 2.93Å; R128-S131 PolarHBondContact O-OG 2.89Å; R128-E133 HydrophobicContact CG-CB 4.43Å; R128-E133 IonicContact CZ-OE1 3.97Å; R128-E133 IonicContact CZ-OE2 3.47Å; R128-E133 IonicContact NH1-OE1 2.86Å; R128-E133 PolarHBondContact NH1-OE1 2.99Å; R128-E133 IonicContact NH1-OE2 2.61Å; R128-E133 PolarHBondContact NH1-OE2 3.1Å; R128-F138 HydrophobicContact CB-CE2 4.35Å; R128-F138 HydrophobicContact CB-CZ 3.9Å; R128-F138 HydrophobicContact CG-CE2 3.81Å; R128-F138 HydrophobicContact CG-CZ 3.8Å
129Y94.6Very high94.8Very high45 Ų4567 Ų6718%0.17632%0.324CS..Hα-helixtrans-64.6-38.1174.5177.2-114.1000112.2P57 I75 L125 Q126 Q127 S131 N132 F138P57-Y129 HydrophobicContact CB-CD1 4.14Å; P57-Y129 HydrophobicContact CB-CD2 4.42Å; P57-Y129 HydrophobicContact CB-CE1 3.63Å; P57-Y129 HydrophobicContact CB-CE2 3.96Å; P57-Y129 HydrophobicContact CG-CD1 4.28Å; P57-Y129 HydrophobicContact CG-CD2 3.75Å; P57-Y129 HydrophobicContact CG-CE1 4.04Å; P57-Y129 HydrophobicContact CG-CE2 3.48Å; P57-Y129 VanDerWaalsContact CG-CE2 3.48Å; P57-Y129 HydrophobicContact CG-CG 4.15Å; I75-Y129 HydrophobicContact CD1-CG 4.25Å; L125-Y129 WeakPolarHBondContact O-CB 3.49Å; L125-Y129 PolarHBondContact O-N 3.45Å; Q126-Y129 PolarHBondContact O-N 3.1Å; Q127-Y129 VanDerWaalsContact C-N 3.34Å; Q127-Y129 PolarHBondContact O-N 3.13Å; Y129-S131 VanDerWaalsContact C-N 3.32Å; Y129-S131 PolarHBondContact O-N 3.23Å; Y129-N132 PolarHBondContact O-N 2.78Å; Y129-N132 VanDerWaalsContact O-N 3.12Å; Y129-F138 HydrophobicContact CD2-CB 3.77Å; Y129-F138 HydrophobicContact CD2-CD1 4.08Å; Y129-F138 HydrophobicContact CD2-CD2 4.19Å; Y129-F138 AromaticContact CD2-CG 3.74Å; Y129-F138 HydrophobicContact CD2-CG 3.74Å; Y129-F138 HydrophobicContact CE2-CB 4.21Å; Y129-F138 HydrophobicContact CG-CD1 4.38Å; Y129-F138 HydrophobicContact CG-CG 4.44Å
130K92.4Very high94.8Very high164 Ų16468.5 Ų68.571%0.71333%0.327SS*.Hα-helixtrans-67.2-29.9178.1-73.6175.6-179.8-1760112.9Q126 Q127 R128 N132Q126-K130 WeakPolarHBondContact O-CG 3.16Å; Q126-K130 PolarHBondContact O-N 3.43Å; Q127-K130 PolarHBondContact O-N 2.76Å; R128-K130 VanDerWaalsContact C-N 3.33Å; R128-K130 PolarHBondContact O-N 2.6Å; K130-N132 PolarHBondContact O-N 3.25Å
131S92.8Very high94.8Very high61 Ų6169.3 Ų69.343%0.42733%0.332SS..THydrogen-bonded Turntrans-75.8-1.6173.466.20000113.7Q127 R128 Y129 E133Q127-S131 PolarHBondContact O-N 3.43Å; R128-S131 PolarHBondContact O-N 2.93Å; R128-S131 PolarHBondContact O-OG 2.89Å; Y129-S131 VanDerWaalsContact C-N 3.32Å; Y129-S131 PolarHBondContact O-N 3.23Å; S131-E133 WeakPolarHBondContact CB-OE1 2.98Å; S131-E133 PolarHBondContact O-N 2.67Å; S131-E133 PolarHBondContact OG-OE1 3.36Å
132N90.8Very high94.7Very high128 Ų12880.8 Ų80.868%0.68438%0.375SS*.THydrogen-bonded Turntrans58.324.5-178.2-16443.4000114Y129 K130Y129-N132 PolarHBondContact O-N 2.78Å; Y129-N132 VanDerWaalsContact O-N 3.12Å; K130-N132 PolarHBondContact O-N 3.25Å
133E92.6Very high94.4Very high84 Ų8486.6 Ų86.639%0.39340%0.401SS..  trans-87.1152.6176.2-73.7176.6-95.600111.5R128 S131 F138R128-E133 HydrophobicContact CG-CB 4.43Å; R128-E133 IonicContact CZ-OE1 3.97Å; R128-E133 IonicContact CZ-OE2 3.47Å; R128-E133 IonicContact NH1-OE1 2.86Å; R128-E133 PolarHBondContact NH1-OE1 2.99Å; R128-E133 IonicContact NH1-OE2 2.61Å; R128-E133 PolarHBondContact NH1-OE2 3.1Å; S131-E133 WeakPolarHBondContact CB-OE1 2.98Å; S131-E133 PolarHBondContact O-N 2.67Å; S131-E133 PolarHBondContact OG-OE1 3.36Å; E133-F138 WeakPolarHBondContact O-CD2 3.44Å; E133-F138 WeakPolarHBondContact O-CE2 3.3Å
134N93.3Very high94.4Very high51 Ų5186.2 Ų86.227%0.27340%0.396SS..  trans49.653.4-179.5-51110.6000113.8V94 W136 F137 F138V94-N134 HydrophobicContact CG2-CB 4.03Å; N134-W136 PolarHBondContact O-N 3.39Å; N134-W136 VanDerWaalsContact O-N 3.1Å; N134-F137 HydrophobicContact CB-CB 4.17Å; N134-F137 WeakPolarHBondContact O-CB 3.37Å; N134-F137 PolarHBondContact O-N 2.92Å; N134-F138 HydrophobicContact CB-CE2 4.5Å; N134-F138 WeakPolarHBondContact O-CD2 3.34Å
135P94Very high94.3Very high70 Ų7087.2 Ų87.246%0.45540%0.402SS..Hα-helixtrans-56.5-35.4-173.822.3-34.2000112.9F137 F138 H139P135-F137 VanDerWaalsContact C-N 3.29Å; P135-F137 PolarHBondContact O-N 3.43Å; P135-F138 PolarHBondContact O-N 2.66Å; P135-H139 PolarHBondContact O-N 3.3Å; P135-H139 VanDerWaalsContact O-N 3.1Å
136W95.4Very high94.2Very high86 Ų8692 Ų9233%0.32642%0.424SS..Hα-helixtrans-58.1-39.4175.4-174.587.8000112.3V17 K29 T90 H92 N134 F138 H139V17-W136 HydrophobicContact CG1-CZ3 3.83Å; K29-W136 HydrophobicContact CD-CE3 4.19Å; K29-W136 HydrophobicContact CD-CH2 4.19Å; K29-W136 HydrophobicContact CD-CZ3 3.97Å; K29-W136 HydrophobicContact CG-CH2 4.48Å; K29-W136 HydrophobicContact CG-CZ3 4.43Å; K29-W136 PolarHBondContact NZ-O 3.03Å; T90-W136 HydrophobicContact CG2-CH2 4.09Å; H92-W136 HydrophobicContact CB-CE3 4.19Å; H92-W136 HydrophobicContact CB-CZ3 4.16Å; H92-W136 AromaticContact CD2-CD2 3.62Å; H92-W136 AromaticContact CD2-CE2 3.94Å; H92-W136 AromaticContact CD2-CE3 3.29Å; H92-W136 AromaticContact CD2-CH2 3.7Å; H92-W136 AromaticContact CD2-CZ3 3.32Å; H92-W136 WeakPolarHBondContact CD2-CZ3 3.36Å; H92-W136 AromaticContact CG-CE3 3.66Å; H92-W136 AromaticContact CG-CZ3 3.88Å; H92-W136 AromaticContact NE2-CD2 3.52Å; H92-W136 AromaticContact NE2-CE2 3.74Å; H92-W136 AromaticContact NE2-CE3 3.72Å; H92-W136 AromaticContact NE2-CG 3.93Å; N134-W136 PolarHBondContact O-N 3.39Å; N134-W136 VanDerWaalsContact O-N 3.1Å; W136-F138 VanDerWaalsContact C-N 3.35Å; W136-F138 PolarHBondContact O-N 2.98Å; W136-H139 PolarHBondContact O-N 3.32Å
137F96.6Very high94.2Very high2 Ų295.2 Ų95.21%0.00944%0.438CS..Hα-helixtrans-65.5-38.8-179.5-178.3-106.3000112.1V17 K29 I31 I53 Y56 V94 L125 N134 P135V17-F137 HydrophobicContact CB-CD2 4.48Å; V17-F137 HydrophobicContact CG1-CD2 3.67Å; V17-F137 HydrophobicContact CG1-CE2 3.94Å; V17-F137 HydrophobicContact CG2-CD2 3.9Å; V17-F137 HydrophobicContact CG2-CE2 4.33Å; K29-F137 HydrophobicContact CB-CD2 3.89Å; K29-F137 HydrophobicContact CB-CE2 3.76Å; K29-F137 WeakPolarHBondContact CD-O 3.33Å; I31-F137 HydrophobicContact CD1-CE1 3.9Å; I31-F137 HydrophobicContact CD1-CE2 4.17Å; I31-F137 HydrophobicContact CD1-CZ 3.67Å; I31-F137 HydrophobicContact CG1-CD2 4.48Å; I31-F137 HydrophobicContact CG1-CE1 4.33Å; I31-F137 HydrophobicContact CG1-CE2 3.69Å; I31-F137 HydrophobicContact CG1-CZ 3.61Å; I53-F137 HydrophobicContact CD1-CD1 3.89Å; I53-F137 HydrophobicContact CD1-CE1 3.47Å; I53-F137 VanDerWaalsContact CD1-CE1 3.47Å; I53-F137 HydrophobicContact CD1-CZ 4.05Å; I53-F137 HydrophobicContact CG1-CE1 4.03Å; I53-F137 HydrophobicContact CG1-CZ 4.23Å; Y56-F137 WeakPolarHBondContact CE1-O 3.43Å; V94-F137 HydrophobicContact CG2-CB 4.31Å; V94-F137 HydrophobicContact CG2-CG 4.33Å; L125-F137 HydrophobicContact CD2-CE1 3.67Å; L125-F137 HydrophobicContact CD2-CZ 4.43Å; N134-F137 HydrophobicContact CB-CB 4.17Å; N134-F137 WeakPolarHBondContact O-CB 3.37Å; N134-F137 PolarHBondContact O-N 2.92Å; P135-F137 VanDerWaalsContact C-N 3.29Å; P135-F137 PolarHBondContact O-N 3.43Å
138F96.3Very high94.2Very high3 Ų392.9 Ų92.91%0.01343%0.428CS..Hα-helixtrans-83.7-9.9-178.4-63.8-73.2000114.1I53 Y56 P57 I75 L125 R128 Y129 E133 N134 P135 W136I53-F138 HydrophobicContact CD1-CD1 3.7Å; I53-F138 HydrophobicContact CD1-CE1 4.03Å; Y56-F138 VanDerWaalsContact CD1-O 3.3Å; Y56-F138 WeakPolarHBondContact CD1-O 3.25Å; P57-F138 WeakPolarHBondContact CD-O 3.38Å; P57-F138 HydrophobicContact CG-CB 4.19Å; I75-F138 HydrophobicContact CD1-CD1 3.7Å; I75-F138 HydrophobicContact CD1-CE1 3.7Å; L125-F138 HydrophobicContact CB-CE1 4.41Å; L125-F138 HydrophobicContact CD2-CE1 4.15Å; L125-F138 HydrophobicContact CD2-CZ 4.41Å; L125-F138 WeakPolarHBondContact O-CE1 3.42Å; R128-F138 HydrophobicContact CB-CE2 4.35Å; R128-F138 HydrophobicContact CB-CZ 3.9Å; R128-F138 HydrophobicContact CG-CE2 3.81Å; R128-F138 HydrophobicContact CG-CZ 3.8Å; Y129-F138 HydrophobicContact CD2-CB 3.77Å; Y129-F138 HydrophobicContact CD2-CD1 4.08Å; Y129-F138 HydrophobicContact CD2-CD2 4.19Å; Y129-F138 AromaticContact CD2-CG 3.74Å; Y129-F138 HydrophobicContact CD2-CG 3.74Å; Y129-F138 HydrophobicContact CE2-CB 4.21Å; Y129-F138 HydrophobicContact CG-CD1 4.38Å; Y129-F138 HydrophobicContact CG-CG 4.44Å; E133-F138 WeakPolarHBondContact O-CD2 3.44Å; E133-F138 WeakPolarHBondContact O-CE2 3.3Å; N134-F138 HydrophobicContact CB-CE2 4.5Å; N134-F138 WeakPolarHBondContact O-CD2 3.34Å; P135-F138 PolarHBondContact O-N 2.66Å; W136-F138 VanDerWaalsContact C-N 3.35Å; W136-F138 PolarHBondContact O-N 2.98Å
139H95.2Very high94.1Very high121 Ų12195.9 Ų95.956%0.5644%0.444SS*.SBendtrans-86.2131.1172.4-72.9180000111.8K29 P135 W136 L141K29-H139 PolarHBondContact NZ-O 3.24Å; P135-H139 PolarHBondContact O-N 3.3Å; P135-H139 VanDerWaalsContact O-N 3.1Å; W136-H139 PolarHBondContact O-N 3.32Å; H139-L141 PolarHBondContact O-N 2.74Å
140K96Very high94.1Very high130 Ų13099.5 Ų99.557%0.56546%0.463SS*.PPolyproline II helixtrans-60.7129.6175.3-173.5-172.7172.9-166.30109.9Y56 R142Y56-K140 HydrophobicContact CD2-CB 3.6Å; Y56-K140 HydrophobicContact CD2-CG 3.71Å; Y56-K140 HydrophobicContact CE2-CB 3.99Å; Y56-K140 HydrophobicContact CE2-CG 3.84Å; Y56-K140 HydrophobicContact CG-CB 3.96Å; K140-R142 PolarHBondContact O-N 2.94Å
141L95.7Very high94.2Very high55 Ų5594.5 Ų94.529%0.28844%0.444SS..PPolyproline II helixtrans-66129.1167.5-170.268.6000109L19 H139 F143L19-L141 HydrophobicContact CD1-CD2 4.01Å; L19-L141 HydrophobicContact CD2-CD2 3.9Å; H139-L141 PolarHBondContact O-N 2.74Å; L141-F143 HydrophobicContact CB-CD1 4.28Å; L141-F143 HydrophobicContact CB-CE1 4.45Å; L141-F143 HydrophobicContact CD2-CD1 3.9Å; L141-F143 HydrophobicContact CD2-CE1 4.31Å; L141-F143 HydrophobicContact CG-CD1 3.94Å
142R94.8Very high94.3Very high240 Ų24097.3 Ų97.391%0.90645%0.445SS*.PPolyproline II helixtrans-99.8117.3176.9-62.8-174.6-179.8-167.70.3107.8K140K140-R142 PolarHBondContact O-N 2.94Å
143F91.1Very high94.6Very high198 Ų19894.5 Ų94.587%0.86842%0.423SS*.  trans-152.20173.163.2-86.5000106.3G27 L141G27-F143 VanDerWaalsContact CA-CE1 3.45Å; G27-F143 VanDerWaalsContact CA-CZ 3.47Å; L141-F143 HydrophobicContact CB-CD1 4.28Å; L141-F143 HydrophobicContact CB-CE1 4.45Å; L141-F143 HydrophobicContact CD2-CD1 3.9Å; L141-F143 HydrophobicContact CD2-CE1 4.31Å; L141-F143 HydrophobicContact CG-CD1 3.94Å

Retrieved 143 of 143 residues in 41.6 ms (Link to these results)

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