A0A087YQV6_POEFO Loading...

ADP-ribosylation factor-like 4Cb

AlphaFold DB , UniProt , Accession A0A087YQV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 193 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
1M37.3Very low46.4Very low244 Ų244120.6 Ų120.6100%1.20270%0.696SS**  094.60-68.2178-173.900107.5
2G35.7Very low48.7Very low76 Ų76121.5 Ų121.578%0.78469%0.689SS**  trans-82.5118.9-17500000110.8S4G2-S4 PolarHBondContact O-N 2.86Å; G2-S4 VanDerWaalsContact O-N 3.07Å
3N39.7Very low51.9Low145 Ų145115.6 Ų115.678%0.77566%0.66SS**  trans-69104.1171.7-85.7-15.9000109.2F5N3-F5 WeakPolarHBondContact O-CD2 3.46Å; N3-F5 PolarHBondContact O-N 3.39Å; N3-F5 VanDerWaalsContact O-N 3.15Å
4S43.6Very low55Low95 Ų95107.9 Ų107.966%0.66462%0.616SS**  trans-73.6103.3-179.1-153.60000110.5G2 S6G2-S4 PolarHBondContact O-N 2.86Å; G2-S4 VanDerWaalsContact O-N 3.07Å; S4-S6 PolarHBondContact O-N 3.28Å; S4-S6 PolarHBondContact OG-OG 3.07Å
5F50.4Low57.8Low166 Ų166103.5 Ų103.573%0.72859%0.588SS**  trans-76.43.8169.6-75.9-85000113N3 N7N3-F5 WeakPolarHBondContact O-CD2 3.46Å; N3-F5 PolarHBondContact O-N 3.39Å; N3-F5 VanDerWaalsContact O-N 3.15Å; F5-N7 PolarHBondContact O-N 3.15Å
6S51.1Low60.4Low76 Ų7697.1 Ų97.153%0.53155%0.552SS.*  trans-81.2114.2-177.962.30000112.2S4S4-S6 PolarHBondContact O-N 3.28Å; S4-S6 PolarHBondContact OG-OG 3.07Å
7N43.6Very low62.6Low141 Ų14191.4 Ų91.475%0.75452%0.519SS*.  trans158.523.7148.3-79.2-19.4000114.3F5F5-N7 PolarHBondContact O-N 3.15Å
8I54.2Low64.6Low35 Ų3586.3 Ų86.318%0.17949%0.49CS..SBendtrans-86.8125.2147.8-71.1161.2000104.4A10 V180I8-A10 PolarHBondContact O-N 3.48Å; I8-V180 HydrophobicContact CD1-CB 3.83Å; I8-V180 HydrophobicContact CD1-CG1 3.66Å; I8-V180 HydrophobicContact CD1-CG2 3.6Å
9S51.3Low66.4Low66 Ų6681.8 Ų81.846%0.46247%0.465SS..  trans-54.3121.6-176.270.20000108F11 Q12S9-F11 PolarHBondContact O-N 3.08Å; S9-Q12 PolarHBondContact O-N 3.07Å
10A51.5Low68Low87 Ų8777.7 Ų77.772%0.71944%0.441SS*.THydrogen-bonded Turntrans-62.15.4176.500000112.9I8I8-A10 PolarHBondContact O-N 3.48Å
11F51.5Low69.5Low196 Ų19674.5 Ų74.586%0.8642%0.423SS*.THydrogen-bonded Turntrans-105.4-14.3-173.9-64.2-74.2000113.9S9S9-F11 PolarHBondContact O-N 3.08Å
12Q74.6Confident72.3Confident131 Ų13164.8 Ų64.861%0.61238%0.376SS*.SBendtrans-97.8108.4-177.5-146.1174.77.400110.9S9 L14S9-Q12 PolarHBondContact O-N 3.07Å; Q12-L14 PolarHBondContact O-N 3.23Å
13S89.9Confident75.3Confident45 Ų4565 Ų6532%0.31537%0.365SS..  trans-56.7132.6174.5-169.30000110S63S13-S63 CarbonylContact C-O 3.47Å; S13-S63 WeakPolarHBondContact CA-O 3.39Å; S13-S63 PolarHBondContact OG-O 3.31Å; S13-S63 PolarHBondContact OG-OG 3.1Å; S13-S63 VanDerWaalsContact OG-OG 3.06Å
14L95.8Very high78.1Confident7 Ų758.2 Ų58.24%0.03733%0.329CS..EExtended strand (participates in β ladder)trans-73.4139.3174.4-59.2-176.4000110Q12 I16 I62 S63 C64 H65 D87 Y176 I179 R183Q12-L14 PolarHBondContact O-N 3.23Å; L14-I16 HydrophobicContact CB-CD1 4.14Å; L14-I16 HydrophobicContact CB-CG1 4.34Å; L14-I62 HydrophobicContact CD1-CG2 3.68Å; L14-I62 HydrophobicContact CG-CG2 3.84Å; L14-S63 PolarHBondContact N-O 2.82Å; L14-C64 CarbonylContact O-C 3.51Å; L14-C64 WeakPolarHBondContact O-CA 3.22Å; L14-H65 PolarHBondContact O-N 3.43Å; L14-D87 WeakPolarHBondContact CA-OD2 3.4Å; L14-D87 HydrophobicContact CD2-CB 4.46Å; L14-Y176 HydrophobicContact CD1-CD2 3.92Å; L14-Y176 HydrophobicContact CD1-CE2 4.39Å; L14-I179 HydrophobicContact CD1-CD1 4.12Å; L14-I179 HydrophobicContact CD2-CG2 4.15Å; L14-R183 VanDerWaalsContact CD2-CZ 3.47Å; L14-R183 VanDerWaalsContact CD2-NH1 3.34Å
15H97Very high80.7Confident43 Ų4354.2 Ų54.220%0.19930%0.303CS..EExtended strand (participates in β ladder)trans-98.2111.6173.9-179.9-152.9000109.7W67 C85 T86 D87H15-W67 AromaticContact CD2-CD1 3.3Å; H15-W67 AromaticContact CD2-NE1 3.3Å; H15-W67 PolarHBondContact CD2-NE1 2.89Å; H15-W67 VanDerWaalsContact CD2-NE1 3.3Å; H15-W67 AromaticContact NE2-CD1 3.03Å; H15-W67 AromaticContact NE2-CE2 3.83Å; H15-W67 AromaticContact NE2-CG 3.88Å; H15-W67 AromaticContact NE2-NE1 2.96Å; H15-W67 PolarHBondContact NE2-NE1 3.25Å; H15-C85 PolarHBondContact ND1-O 3.15Å; H15-C85 VanDerWaalsContact ND1-O 3.11Å; H15-T86 CarbonylContact O-C 3.58Å; H15-D87 PolarHBondContact N-OD2 2.83Å; H15-D87 PolarHBondContact O-N 2.91Å
16I98.3Very high83Confident1 Ų146.9 Ų46.91%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-119.1131.4-175.8-51.7-59.9000109.1L14 C64 H65 F66 W67 D87 G88 I90 L175 I179L14-I16 HydrophobicContact CB-CD1 4.14Å; L14-I16 HydrophobicContact CB-CG1 4.34Å; I16-C64 HydrophobicContact CG1-CB 4.41Å; I16-H65 PolarHBondContact N-O 3.34Å; I16-F66 HydrophobicContact CB-CD1 3.89Å; I16-F66 HydrophobicContact CB-CE1 3.97Å; I16-F66 HydrophobicContact CG1-CE1 4.41Å; I16-F66 HydrophobicContact CG2-CD1 3.88Å; I16-F66 HydrophobicContact CG2-CE1 3.76Å; I16-F66 CarbonylContact O-C 3.42Å; I16-F66 VanDerWaalsContact O-CA 3.27Å; I16-F66 WeakPolarHBondContact O-CA 3.36Å; I16-W67 PolarHBondContact O-N 3.04Å; I16-D87 HydrophobicContact CD1-CB 4.39Å; I16-G88 WeakPolarHBondContact CA-O 3.36Å; I16-I90 HydrophobicContact CG2-CD1 3.86Å; I16-I90 HydrophobicContact CG2-CG1 3.81Å; I16-L175 HydrophobicContact CD1-CD2 4.13Å; I16-L175 HydrophobicContact CG2-CD2 4.13Å; I16-I179 HydrophobicContact CD1-CD1 3.68Å
17V98.6Very high85.2Confident0 Ų044 Ų440%025%0.25CS..EExtended strand (participates in β ladder)trans-103.6140.6170.568.30000109.8L19 W67 V69 T86 G88 I89 I90V17-L19 HydrophobicContact CG1-CD1 4.3Å; V17-L19 HydrophobicContact CG1-CG 4.29Å; V17-L19 HydrophobicContact CG2-CD2 3.73Å; V17-L19 HydrophobicContact CG2-CG 3.95Å; V17-W67 HydrophobicContact CG2-CB 4.29Å; V17-V69 HydrophobicContact CG2-CG2 3.93Å; V17-T86 HydrophobicContact CB-CG2 3.77Å; V17-T86 HydrophobicContact CG1-CG2 3.77Å; V17-G88 PolarHBondContact N-O 2.83Å; V17-I89 HydrophobicContact CG1-CB 4.24Å; V17-I89 HydrophobicContact CG1-CG1 3.76Å; V17-I89 HydrophobicContact CG1-CG2 4.23Å; V17-I90 PolarHBondContact O-N 3.05Å
18M98.5Very high87.8Confident0 Ų038.2 Ų38.20%022%0.22CC..EExtended strand (participates in β ladder)trans-112.2118.6174.1-165.5179.7-63.600109.7K26 V29 L30 F66 W67 V69 I90 V92M18-K26 HydrophobicContact CG-CB 4.01Å; M18-K26 HydrophobicContact CG-CD 4.31Å; M18-K26 HydrophobicContact CG-CG 4.03Å; M18-K26 VanDerWaalsContact SD-C 3.54Å; M18-K26 WeakPolarHBondContact SD-CA 3.47Å; M18-K26 HydrophobicContact SD-CB 3.62Å; M18-K26 HydrophobicContact SD-CG 4.2Å; M18-V29 HydrophobicContact CE-CB 4.14Å; M18-V29 HydrophobicContact CE-CG1 3.69Å; M18-V29 HydrophobicContact SD-CB 4.15Å; M18-V29 HydrophobicContact SD-CG1 4.28Å; M18-L30 HydrophobicContact CE-CB 4.31Å; M18-F66 HydrophobicContact CE-CD1 4.37Å; M18-W67 PolarHBondContact N-O 3.4Å; M18-V69 PolarHBondContact O-N 3.26Å; M18-I90 CarbonylContact C-O 3.59Å; M18-I90 WeakPolarHBondContact CA-O 3.4Å; M18-I90 HydrophobicContact CB-CB 4.49Å; M18-I90 HydrophobicContact CE-CD1 4.31Å; M18-I90 HydrophobicContact CE-CG2 4.49Å; M18-I90 HydrophobicContact CG-CB 4.18Å; M18-I90 HydrophobicContact CG-CG2 4.09Å; M18-V92 HydrophobicContact CG-CG2 3.81Å; M18-V92 HydrophobicContact SD-CG2 3.92Å
19L98.7Very high89.9Confident0 Ų036.6 Ų36.60%021%0.212CC..EExtended strand (participates in β ladder)trans-125.9171.9-176.4-57.2179000109.9V17 K26 V69 W79 I89 I90 Y91 V92 V111V17-L19 HydrophobicContact CG1-CD1 4.3Å; V17-L19 HydrophobicContact CG1-CG 4.29Å; V17-L19 HydrophobicContact CG2-CD2 3.73Å; V17-L19 HydrophobicContact CG2-CG 3.95Å; L19-K26 WeakPolarHBondContact O-CD 3.45Å; L19-V69 HydrophobicContact CD2-CB 3.93Å; L19-V69 HydrophobicContact CD2-CG2 3.98Å; L19-W79 HydrophobicContact CB-CD2 4.48Å; L19-W79 HydrophobicContact CB-CE3 4.47Å; L19-W79 HydrophobicContact CD1-CB 4.39Å; L19-W79 HydrophobicContact CD1-CE3 4.45Å; L19-W79 HydrophobicContact CD2-CB 4.08Å; L19-W79 HydrophobicContact CD2-CD2 3.95Å; L19-W79 HydrophobicContact CD2-CG 3.7Å; L19-I89 HydrophobicContact CD1-CG2 4.26Å; L19-I90 PolarHBondContact N-O 2.83Å; L19-Y91 HydrophobicContact CB-CD2 3.98Å; L19-Y91 HydrophobicContact CB-CE2 4.38Å; L19-Y91 CarbonylContact O-C 3.51Å; L19-Y91 WeakPolarHBondContact O-CA 3.37Å; L19-V92 PolarHBondContact O-N 2.93Å; L19-V111 HydrophobicContact CD1-CG1 3.71Å; L19-V111 HydrophobicContact CD1-CG2 4.04Å
20G98.6Very high92.1Very high0 Ų033.5 Ų33.50%019%0.19CC..  trans131.9160-173.900000111.4K26 G71 W79G20-K26 WeakPolarHBondContact O-CE 3.48Å; G20-K26 PolarHBondContact O-NZ 3.42Å; G20-G71 WeakPolarHBondContact O-CA 3.49Å; G20-W79 VanDerWaalsContact O-CZ2 3.26Å; G20-W79 WeakPolarHBondContact O-CZ2 3.21Å
21L98.7Very high94.3Very high10 Ų1031.9 Ų31.95%0.05217%0.166CC..  trans-59.5160.6-177.3-51.8-172.2000111.8A24 K26 R100 E103 A104L21-A24 WeakPolarHBondContact O-CB 3.47Å; L21-A24 PolarHBondContact O-N 3.1Å; L21-K26 PolarHBondContact O-NZ 3Å; L21-R100 HydrophobicContact CD1-CB 3.88Å; L21-E103 HydrophobicContact CD1-CB 4.17Å; L21-E103 HydrophobicContact CD1-CG 4.05Å; L21-E103 HydrophobicContact CD2-CG 4.18Å; L21-A104 HydrophobicContact CD1-CB 3.87Å; L21-A104 HydrophobicContact CG-CB 4.03Å
22D97.9Very high96.4Very high41 Ų4123.7 Ų23.722%0.21913%0.129CC..THydrogen-bonded Turntrans-56.4150.6168.955.6-81000111A24 G71 Q72 R76 R100D22-A24 PolarHBondContact O-N 3.37Å; D22-G71 PolarHBondContact N-O 3.28Å; D22-Q72 HydrophobicContact CB-CG 3.97Å; D22-R76 IonicContact OD1-NH2 3.02Å; D22-R100 PolarHBondContact O-NH1 3.2Å; D22-R100 PolarHBondContact O-NH2 2.76Å; D22-R100 VanDerWaalsContact O-NH2 3.13Å; D22-R100 IonicContact OD1-NH1 2.89Å; D22-R100 IonicContact OD2-CZ 2.85Å; D22-R100 IonicContact OD2-NH1 3.39Å; D22-R100 PolarHBondContact OD2-NH1 3Å
23S97.5Very high97.4Very high80 Ų8018.8 Ų18.856%0.55911%0.107SC*.THydrogen-bonded Turntrans65.7-1.5-178.7-47.80000116.2G25 K128S23-G25 PolarHBondContact O-N 3.37Å; S23-K128 VanDerWaalsContact O-CE 3.27Å; S23-K128 WeakPolarHBondContact O-CE 3.37Å; S23-K128 PolarHBondContact O-NZ 3.37Å
24A98.3Very high97.7Very high2 Ų220.5 Ų20.52%0.01711%0.109CC..SBendtrans-64.8-19.2174.300000114.1L21 D22 V92 N127L21-A24 WeakPolarHBondContact O-CB 3.47Å; L21-A24 PolarHBondContact O-N 3.1Å; D22-A24 PolarHBondContact O-N 3.37Å; A24-V92 HydrophobicContact CB-CB 4.38Å; A24-V92 HydrophobicContact CB-CG1 4.17Å; A24-V92 WeakPolarHBondContact CB-O 3.36Å; A24-V92 WeakPolarHBondContact O-CG1 3.49Å; A24-N127 PolarHBondContact O-ND2 2.99Å
25G98.1Very high97.6Very high12 Ų1224.9 Ų24.912%0.12413%0.128CC..  trans100.321.8176.200000115.5S23 T27 T28 V29S23-G25 PolarHBondContact O-N 3.37Å; G25-T27 PolarHBondContact O-N 3.14Å; G25-T28 WeakPolarHBondContact O-CB 3.45Å; G25-T28 PolarHBondContact O-N 3.32Å; G25-V29 WeakPolarHBondContact O-CG2 3.25Å; G25-V29 PolarHBondContact O-N 3.09Å
26K98.5Very high97.4Very high11 Ų1128.6 Ų28.65%0.04815%0.149CC..Hα-helixtrans-51.9-57178.4-63.4-177.1-60.5-67.30113.3M18 L19 G20 L21 T28 V29 L30 D68 V69 V92M18-K26 HydrophobicContact CG-CB 4.01Å; M18-K26 HydrophobicContact CG-CD 4.31Å; M18-K26 HydrophobicContact CG-CG 4.03Å; M18-K26 VanDerWaalsContact SD-C 3.54Å; M18-K26 WeakPolarHBondContact SD-CA 3.47Å; M18-K26 HydrophobicContact SD-CB 3.62Å; M18-K26 HydrophobicContact SD-CG 4.2Å; L19-K26 WeakPolarHBondContact O-CD 3.45Å; G20-K26 WeakPolarHBondContact O-CE 3.48Å; G20-K26 PolarHBondContact O-NZ 3.42Å; L21-K26 PolarHBondContact O-NZ 3Å; K26-T28 PolarHBondContact O-N 2.91Å; K26-V29 WeakPolarHBondContact O-CB 3.46Å; K26-V29 PolarHBondContact O-N 2.99Å; K26-L30 PolarHBondContact O-N 3.2Å; K26-D68 VanDerWaalsContact CB-OD1 3.22Å; K26-D68 WeakPolarHBondContact CB-OD1 3.41Å; K26-V69 WeakPolarHBondContact CE-O 3.23Å; K26-V92 HydrophobicContact CB-CG2 4.44Å; K26-V92 HydrophobicContact CG-CB 3.78Å; K26-V92 HydrophobicContact CG-CG2 3.79Å
27T97.9Very high97Very high16 Ų1634.9 Ų34.910%0.09818%0.179CC..Hα-helixtrans-61.6-34.5179.5-43.90000111.9G25 L30 Y31 T41 T44 D68G25-T27 PolarHBondContact O-N 3.14Å; T27-L30 PolarHBondContact O-N 2.9Å; T27-Y31 HydrophobicContact CG2-CD2 4.09Å; T27-Y31 HydrophobicContact CG2-CE1 4.39Å; T27-Y31 HydrophobicContact CG2-CE2 3.81Å; T27-Y31 WeakPolarHBondContact O-CB 3.38Å; T27-Y31 PolarHBondContact O-N 3.34Å; T27-T41 HydrophobicContact CG2-CG2 3.67Å; T27-T44 PolarHBondContact OG1-OG1 2.94Å; T27-D68 WeakPolarHBondContact CA-OD2 3.42Å; T27-D68 WeakPolarHBondContact CB-OD2 3.48Å; T27-D68 PolarHBondContact OG1-OD2 3.49Å
28T98.1Very high96.5Very high19 Ų1939.8 Ų39.812%0.11720%0.2CC..Hα-helixtrans-64.7-43.1173.9-430000111.7G25 K26 Y31 R32 F38 A162 I163G25-T28 WeakPolarHBondContact O-CB 3.45Å; G25-T28 PolarHBondContact O-N 3.32Å; K26-T28 PolarHBondContact O-N 2.91Å; T28-Y31 PolarHBondContact O-N 3.38Å; T28-R32 WeakPolarHBondContact O-CB 3.22Å; T28-R32 PolarHBondContact O-N 3.31Å; T28-F38 HydrophobicContact CG2-CD2 4.19Å; T28-F38 HydrophobicContact CG2-CE2 4.05Å; T28-A162 HydrophobicContact CG2-CB 3.78Å; T28-I163 HydrophobicContact CG2-CG2 4.29Å
29V98.4Very high96.2Very high2 Ų242.1 Ų42.11%0.01221%0.214CC..Hα-helixtrans-60.2-46.9173.1171.40000110.4M18 G25 K26 Y31 R32 L33 V92 A162 L168M18-V29 HydrophobicContact CE-CB 4.14Å; M18-V29 HydrophobicContact CE-CG1 3.69Å; M18-V29 HydrophobicContact SD-CB 4.15Å; M18-V29 HydrophobicContact SD-CG1 4.28Å; G25-V29 WeakPolarHBondContact O-CG2 3.25Å; G25-V29 PolarHBondContact O-N 3.09Å; K26-V29 WeakPolarHBondContact O-CB 3.46Å; K26-V29 PolarHBondContact O-N 2.99Å; V29-Y31 PolarHBondContact O-N 3.37Å; V29-R32 PolarHBondContact O-N 3.48Å; V29-L33 HydrophobicContact CG1-CD1 4.12Å; V29-L33 WeakPolarHBondContact O-CG 3.33Å; V29-L33 PolarHBondContact O-N 3.4Å; V29-V92 HydrophobicContact CG2-CG1 4.41Å; V29-V92 HydrophobicContact CG2-CG2 4.5Å; V29-A162 HydrophobicContact CG2-CB 3.69Å; V29-L168 HydrophobicContact CG1-CD1 4.3Å; V29-L168 HydrophobicContact CG1-CD2 3.93Å; V29-L168 HydrophobicContact CG2-CD2 4.19Å
30L97.9Very high95.7Very high0 Ų048.7 Ų48.70%025%0.249CC..Hα-helixtrans-59-49.6179.4-177.268.6000112M18 K26 T27 L33 K34 N48 E50 I52 F66 D68M18-L30 HydrophobicContact CE-CB 4.31Å; K26-L30 PolarHBondContact O-N 3.2Å; T27-L30 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 3.34Å; L30-K34 WeakPolarHBondContact O-CB 3.42Å; L30-K34 PolarHBondContact O-N 3.02Å; L30-N48 WeakPolarHBondContact CD2-ND2 3.46Å; L30-E50 HydrophobicContact CD1-CB 4.1Å; L30-E50 HydrophobicContact CD1-CG 4.48Å; L30-E50 HydrophobicContact CD2-CB 4.23Å; L30-E50 HydrophobicContact CD2-CG 3.78Å; L30-E50 HydrophobicContact CG-CB 4.34Å; L30-E50 HydrophobicContact CG-CG 4.18Å; L30-I52 HydrophobicContact CD1-CD1 3.92Å; L30-F66 HydrophobicContact CD1-CB 3.39Å; L30-F66 HydrophobicContact CD1-CD1 4.18Å; L30-F66 HydrophobicContact CD1-CD2 4.13Å; L30-F66 HydrophobicContact CD1-CG 3.66Å; L30-D68 HydrophobicContact CD2-CB 3.82Å
31Y97.1Very high95.3Very high53 Ų5351.3 Ų51.321%0.20827%0.265CS..Hα-helixtrans-69.8-34.2-179.1-73.3-8000112.5T27 T28 V29 K34 F35 V39 T41T27-Y31 HydrophobicContact CG2-CD2 4.09Å; T27-Y31 HydrophobicContact CG2-CE1 4.39Å; T27-Y31 HydrophobicContact CG2-CE2 3.81Å; T27-Y31 WeakPolarHBondContact O-CB 3.38Å; T27-Y31 PolarHBondContact O-N 3.34Å; T28-Y31 PolarHBondContact O-N 3.38Å; V29-Y31 PolarHBondContact O-N 3.37Å; Y31-K34 PolarHBondContact O-N 3.42Å; Y31-F35 HydrophobicContact CD1-CD2 4.34Å; Y31-F35 AromaticContact CD1-CE2 3.72Å; Y31-F35 HydrophobicContact CD1-CE2 3.72Å; Y31-F35 HydrophobicContact CE1-CE2 4.19Å; Y31-F35 HydrophobicContact CG-CD2 4.21Å; Y31-F35 AromaticContact CG-CE2 3.92Å; Y31-F35 HydrophobicContact CG-CE2 3.92Å; Y31-F35 WeakPolarHBondContact O-CD2 3.33Å; Y31-F35 PolarHBondContact O-N 2.93Å; Y31-V39 HydrophobicContact CD2-CB 3.84Å; Y31-V39 HydrophobicContact CD2-CG1 3.79Å; Y31-V39 HydrophobicContact CD2-CG2 4.49Å; Y31-V39 HydrophobicContact CE2-CG1 4.16Å; Y31-V39 HydrophobicContact CG-CB 4.48Å; Y31-T41 HydrophobicContact CD2-CG2 3.78Å; Y31-T41 HydrophobicContact CE2-CG2 4.01Å
32R96.8Very high94.9Very high24 Ų2456.6 Ų56.69%0.09130%0.298CS..Hα-helixtrans-59.9-47.8170.9179.556.560.4176.7-0.9111.5T28 V29 K34 N36 E37 F38 A162 I163 L168T28-R32 WeakPolarHBondContact O-CB 3.22Å; T28-R32 PolarHBondContact O-N 3.31Å; V29-R32 PolarHBondContact O-N 3.48Å; R32-K34 PolarHBondContact O-N 3.45Å; R32-N36 PolarHBondContact NH1-O 3.17Å; R32-N36 VanDerWaalsContact NH1-O 3.14Å; R32-N36 VanDerWaalsContact O-CA 3.22Å; R32-N36 WeakPolarHBondContact O-CA 3.17Å; R32-N36 PolarHBondContact O-N 2.93Å; R32-E37 VanDerWaalsContact NH1-CA 3.33Å; R32-F38 VanDerWaalsContact NH2-CB 3.26Å; R32-A162 PolarHBondContact NE-O 2.8Å; R32-I163 PolarHBondContact NH2-O 2.86Å; R32-L168 HydrophobicContact CB-CD1 3.78Å; R32-L168 HydrophobicContact CG-CD1 3.39Å
33L95.7Very high94.6Very high28 Ų2858.8 Ų58.815%0.14731%0.314CS..Hα-helixtrans-63.3-31.6176.4-71.7171.2000112.6V29 L30 I52 F66 L168 M172V29-L33 HydrophobicContact CG1-CD1 4.12Å; V29-L33 WeakPolarHBondContact O-CG 3.33Å; V29-L33 PolarHBondContact O-N 3.4Å; L30-L33 PolarHBondContact O-N 3.34Å; L33-I52 HydrophobicContact CB-CD1 3.89Å; L33-F66 HydrophobicContact CD1-CE1 4.37Å; L33-F66 HydrophobicContact CD1-CZ 4.09Å; L33-L168 HydrophobicContact CD2-CB 4.03Å; L33-L168 HydrophobicContact CG-CD1 4.38Å; L33-M172 HydrophobicContact CD1-CG 4.32Å; L33-M172 HydrophobicContact CD1-SD 4.22Å; L33-M172 HydrophobicContact CD2-CG 4.05Å
34K95.4Very high94.1Very high82 Ų8256.3 Ų56.336%0.35730%0.296SS..Hα-helixtrans-80.8-48-176.4179.565.8178.6177.10113.1L30 Y31 R32 K51 I52L30-K34 WeakPolarHBondContact O-CB 3.42Å; L30-K34 PolarHBondContact O-N 3.02Å; Y31-K34 PolarHBondContact O-N 3.42Å; R32-K34 PolarHBondContact O-N 3.45Å; K34-K51 PolarHBondContact NZ-O 3.13Å; K34-I52 HydrophobicContact CB-CD1 3.89Å; K34-I52 HydrophobicContact CB-CG1 4.28Å; K34-I52 HydrophobicContact CD-CD1 4.39Å; K34-I52 HydrophobicContact CD-CG1 3.85Å
35F94Very high93.5Very high98 Ų9864 Ų6443%0.4334%0.335SS..Hα-helixtrans-108.9-12.4-167.8-55.4-61.1000113Y31 E37 V39Y31-F35 HydrophobicContact CD1-CD2 4.34Å; Y31-F35 AromaticContact CD1-CE2 3.72Å; Y31-F35 HydrophobicContact CD1-CE2 3.72Å; Y31-F35 HydrophobicContact CE1-CE2 4.19Å; Y31-F35 HydrophobicContact CG-CD2 4.21Å; Y31-F35 AromaticContact CG-CE2 3.92Å; Y31-F35 HydrophobicContact CG-CE2 3.92Å; Y31-F35 WeakPolarHBondContact O-CD2 3.33Å; Y31-F35 PolarHBondContact O-N 2.93Å; F35-E37 HydrophobicContact CB-CB 4.44Å; F35-E37 PolarHBondContact O-N 3.06Å; F35-V39 HydrophobicContact CD2-CG2 4Å
36N92.4Very high93.1Very high121 Ų12164 Ų6465%0.64734%0.336SS*.SBendtrans56.122.2-170.2-16237.8000113.7R32R32-N36 PolarHBondContact NH1-O 3.17Å; R32-N36 VanDerWaalsContact NH1-O 3.14Å; R32-N36 VanDerWaalsContact O-CA 3.22Å; R32-N36 WeakPolarHBondContact O-CA 3.17Å; R32-N36 PolarHBondContact O-N 2.93Å
37E89.1Confident92.9Very high134 Ų13468 Ų6863%0.62635%0.353SS*.SBendtrans-134.4159.9-177.1-71.5-177.6178.300111R32 F35R32-E37 VanDerWaalsContact NH1-CA 3.33Å; F35-E37 HydrophobicContact CB-CB 4.44Å; F35-E37 PolarHBondContact O-N 3.06Å
38F89.3Confident92.7Very high103 Ų10369 Ų6945%0.45236%0.358SS..  trans-80.9126173.7177-113.8000109T28 R32 N40 I163T28-F38 HydrophobicContact CG2-CD2 4.19Å; T28-F38 HydrophobicContact CG2-CE2 4.05Å; R32-F38 VanDerWaalsContact NH2-CB 3.26Å; F38-N40 VanDerWaalsContact CE1-OD1 3.26Å; F38-N40 WeakPolarHBondContact CE1-OD1 3.22Å; F38-N40 WeakPolarHBondContact CZ-OD1 3.44Å; F38-I163 HydrophobicContact CD2-CB 4.05Å; F38-I163 HydrophobicContact CD2-CG2 3.88Å; F38-I163 HydrophobicContact CE2-CB 4.35Å; F38-I163 HydrophobicContact CE2-CG2 3.7Å
39V91Very high92.6Very high48 Ų4870.6 Ų70.629%0.29137%0.367SS..  trans-120.6127.9175.2-1790000107.9Y31 F35 T41Y31-V39 HydrophobicContact CD2-CB 3.84Å; Y31-V39 HydrophobicContact CD2-CG1 3.79Å; Y31-V39 HydrophobicContact CD2-CG2 4.49Å; Y31-V39 HydrophobicContact CE2-CG1 4.16Å; Y31-V39 HydrophobicContact CG-CB 4.48Å; F35-V39 HydrophobicContact CD2-CG2 4Å; V39-T41 PolarHBondContact O-N 3.35Å
40N88.6Confident92.5Very high138 Ų13872.5 Ų72.574%0.73838%0.376SS*.  trans-64.1129.9172.4-75.4-53.4000109.7F38F38-N40 VanDerWaalsContact CE1-OD1 3.26Å; F38-N40 WeakPolarHBondContact CE1-OD1 3.22Å; F38-N40 WeakPolarHBondContact CZ-OD1 3.44Å
41T91.3Very high92.5Very high56 Ų5679.2 Ų79.234%0.34441%0.405SS..  trans-117.6144.9-17757.40000111.1T27 Y31 V39T27-T41 HydrophobicContact CG2-CG2 3.67Å; Y31-T41 HydrophobicContact CD2-CG2 3.78Å; Y31-T41 HydrophobicContact CE2-CG2 4.01Å; V39-T41 PolarHBondContact O-N 3.35Å
42V89.8Confident92.4Very high121 Ų12177 Ų7773%0.73340%0.397SS*.PPolyproline II helixtrans-97.9160.2165.5-63.60000109.8T44V42-T44 PolarHBondContact O-N 3.37Å
43P91.1Very high92.3Very high87 Ų8784.4 Ų84.457%0.56543%0.425SS*.PPolyproline II helixtrans-54.7126.6176-25.934.7000112.3I45P43-I45 PolarHBondContact O-N 3.42Å
44T87.2Confident92.2Very high27 Ų2783.5 Ų83.517%0.16642%0.42CS..PPolyproline II helixtrans-64.7118.3-179.7-47.80000111.4T27 V42 G46 L75T27-T44 PolarHBondContact OG1-OG1 2.94Å; V42-T44 PolarHBondContact O-N 3.37Å; T44-G46 PolarHBondContact O-N 2.96Å; T44-L75 WeakPolarHBondContact O-CD1 3.2Å
45I86.4Confident92Very high163 Ų16383 Ų8384%0.83643%0.427SS*.SBendtrans-90.884.9175.4-52.3176.7000107.8P43P43-I45 PolarHBondContact O-N 3.42Å
46G90.3Very high91.7Very high14 Ų1481.7 Ų81.714%0.14443%0.425CS..SBendtrans106.8-102.1-17900000112.3T44 G70T44-G46 PolarHBondContact O-N 2.96Å; G46-G70 PolarHBondContact O-N 3.04Å
47F93.6Very high91.6Very high95 Ų9578.1 Ų78.142%0.41742%0.416SS..EExtended strand (participates in β ladder)trans-150.3162-179.371.6-80.6000112.1T49 W67 D68 Y82F47-T49 HydrophobicContact CD2-CG2 3.8Å; F47-T49 HydrophobicContact CE2-CG2 3.79Å; F47-W67 AromaticContact CD2-CE3 3.79Å; F47-W67 HydrophobicContact CD2-CE3 3.79Å; F47-W67 AromaticContact CD2-CZ3 3.86Å; F47-W67 HydrophobicContact CD2-CZ3 3.86Å; F47-W67 HydrophobicContact CE2-CE3 4.03Å; F47-W67 AromaticContact CE2-CZ3 3.6Å; F47-W67 HydrophobicContact CE2-CZ3 3.6Å; F47-W67 HydrophobicContact CZ-CZ3 4.33Å; F47-D68 CarbonylContact C-O 3.54Å; F47-D68 WeakPolarHBondContact CA-O 3.31Å; F47-D68 WeakPolarHBondContact CB-O 3.22Å; F47-Y82 HydrophobicContact CB-CE1 4.44Å; F47-Y82 HydrophobicContact CD1-CE1 4.08Å; F47-Y82 HydrophobicContact CD1-CE2 4.43Å; F47-Y82 AromaticContact CD1-CZ 3.61Å; F47-Y82 WeakPolarHBondContact CD1-OH 3.13Å; F47-Y82 HydrophobicContact CD2-CE1 4.25Å; F47-Y82 HydrophobicContact CE1-CE1 4.41Å; F47-Y82 WeakPolarHBondContact CE1-OH 3.37Å; F47-Y82 AromaticContact CG-CE1 3.99Å; F47-Y82 HydrophobicContact CG-CE1 3.99Å; F47-Y82 AromaticContact CG-CZ 3.89Å
48N93.9Very high91.6Very high37 Ų3776.8 Ų76.820%0.19842%0.418CS..EExtended strand (participates in β ladder)trans-128.3149.5169.2-176.329.2000110L30 W67 D68L30-N48 WeakPolarHBondContact CD2-ND2 3.46Å; N48-W67 WeakPolarHBondContact O-CA 3.27Å; N48-D68 HydrophobicContact CB-CB 4.35Å; N48-D68 PolarHBondContact N-O 3.4Å; N48-D68 PolarHBondContact O-N 2.92Å
49T95.5Very high91.5Very high51 Ų5172 Ų7231%0.31340%0.397SS..EExtended strand (participates in β ladder)trans-129.3129.6177.359.80000112.2F47 F66 W67F47-T49 HydrophobicContact CD2-CG2 3.8Å; F47-T49 HydrophobicContact CE2-CG2 3.79Å; T49-F66 VanDerWaalsContact CA-O 3.24Å; T49-F66 WeakPolarHBondContact CA-O 3.44Å; T49-W67 HydrophobicContact CG2-CD2 3.57Å; T49-W67 HydrophobicContact CG2-CE3 3.39Å; T49-W67 HydrophobicContact CG2-CG 4.19Å; T49-W67 HydrophobicContact CG2-CH2 4.08Å; T49-W67 HydrophobicContact CG2-CZ2 4.23Å; T49-W67 HydrophobicContact CG2-CZ3 3.65Å
50E97.1Very high91.4Very high43 Ų4376.8 Ų76.820%0.20141%0.414CS..EExtended strand (participates in β ladder)trans-134.2138.9178.9-70.4-65.8166.200111.5L30 I52 F66L30-E50 HydrophobicContact CD1-CB 4.1Å; L30-E50 HydrophobicContact CD1-CG 4.48Å; L30-E50 HydrophobicContact CD2-CB 4.23Å; L30-E50 HydrophobicContact CD2-CG 3.78Å; L30-E50 HydrophobicContact CG-CB 4.34Å; L30-E50 HydrophobicContact CG-CG 4.18Å; E50-I52 HydrophobicContact CB-CD1 4.47Å; E50-I52 HydrophobicContact CB-CG1 4.27Å; E50-F66 PolarHBondContact N-O 3.34Å; E50-F66 VanDerWaalsContact N-O 3.1Å; E50-F66 PolarHBondContact O-N 3.47Å
51K96.5Very high91.5Very high141 Ų14171.1 Ų71.161%0.61339%0.388SS*.EExtended strand (participates in β ladder)trans-97.4121.3168-70.6177.6-176.4173.40108.9K34 C64 H65K34-K51 PolarHBondContact NZ-O 3.13Å; K51-C64 WeakPolarHBondContact CA-O 3.4Å; K51-H65 HydrophobicContact CG-CB 4.44Å
52I95.8Very high91.6Very high7 Ų770 Ų704%0.03638%0.38CS..EExtended strand (participates in β ladder)trans-126.5129-176.7-52.6-178.8000108.4L30 L33 K34 E50 L54 C64 F66L30-I52 HydrophobicContact CD1-CD1 3.92Å; L33-I52 HydrophobicContact CB-CD1 3.89Å; K34-I52 HydrophobicContact CB-CD1 3.89Å; K34-I52 HydrophobicContact CB-CG1 4.28Å; K34-I52 HydrophobicContact CD-CD1 4.39Å; K34-I52 HydrophobicContact CD-CG1 3.85Å; E50-I52 HydrophobicContact CB-CD1 4.47Å; E50-I52 HydrophobicContact CB-CG1 4.27Å; I52-L54 HydrophobicContact CG2-CD2 4.39Å; I52-C64 PolarHBondContact N-O 3.18Å; I52-C64 PolarHBondContact O-N 3.29Å; I52-F66 HydrophobicContact CB-CD2 4.21Å; I52-F66 HydrophobicContact CB-CE2 3.97Å; I52-F66 HydrophobicContact CD1-CD2 3.69Å; I52-F66 HydrophobicContact CD1-CE2 3.78Å; I52-F66 HydrophobicContact CG1-CD2 3.93Å; I52-F66 HydrophobicContact CG1-CE2 4.11Å
53R95.2Very high91.8Very high178 Ų17866.2 Ų66.267%0.67236%0.358SS*.EExtended strand (participates in β ladder)trans-96.3113.5167.4-174.8178.8-176.586.41.8107.4S55 G61 I62R53-S55 PolarHBondContact O-N 2.8Å; R53-G61 PolarHBondContact NH1-O 3.1Å; R53-G61 VanDerWaalsContact NH1-O 3.09Å; R53-G61 PolarHBondContact NH2-O 3.38Å; R53-I62 WeakPolarHBondContact CA-O 3.42Å
54L93.4Very high92.1Very high9 Ų962.1 Ų62.15%0.04733%0.332CS..  trans-62.9132.6-177.9-59.5177.2000110I52 A59 G61 I62 M172I52-L54 HydrophobicContact CG2-CD2 4.39Å; L54-A59 HydrophobicContact CD1-CB 3.55Å; L54-G61 PolarHBondContact O-N 3.44Å; L54-I62 PolarHBondContact N-O 3.09Å; L54-M172 HydrophobicContact CD1-CB 4.28Å; L54-M172 HydrophobicContact CD1-CE 4.01Å; L54-M172 HydrophobicContact CD2-CE 4.38Å; L54-M172 HydrophobicContact CD2-CG 4.4Å
55S90.2Very high92.6Very high71 Ų7163.1 Ų63.150%0.49734%0.335SS..  trans-98.4-21.2-173.752.40000113.7R53 K60R53-S55 PolarHBondContact O-N 2.8Å; S55-K60 WeakPolarHBondContact O-CD 3.29Å; S55-K60 WeakPolarHBondContact O-CE 3.33Å; S55-K60 WeakPolarHBondContact O-CG 3.23Å
56N89Confident93.1Very high72 Ų7255.4 Ų55.439%0.38530%0.295SS..SBendtrans-125.1169.1-166.8-58.2-18.8000111.3K60 D169N56-K60 PolarHBondContact O-N 3.38Å; N56-D169 HydrophobicContact CB-CB 4.32Å; N56-D169 VanDerWaalsContact CB-OD2 3.29Å; N56-D169 WeakPolarHBondContact CB-OD2 3.5Å; N56-D169 PolarHBondContact ND2-OD2 2.94Å
57G89Confident93.5Very high46 Ų4657.6 Ų57.647%0.47430%0.299SS..SBendtrans67.5-166.8175.100000115.2A59 K60 D173G57-A59 VanDerWaalsContact C-N 3.3Å; G57-K60 VanDerWaalsContact O-CB 3.25Å; G57-K60 WeakPolarHBondContact O-CB 3.3Å; G57-K60 PolarHBondContact O-N 3.26Å; G57-D173 WeakPolarHBondContact CA-OD2 3.27Å
58T88.9Confident93.7Very high106 Ų10653.1 Ų53.165%0.6528%0.279SS*.THydrogen-bonded Turntrans-71.7-23.7175.666.90000113.3K60 D173T58-K60 PolarHBondContact O-N 2.91Å; T58-D173 WeakPolarHBondContact CA-OD1 3.42Å; T58-D173 VanDerWaalsContact N-CG 3.25Å; T58-D173 PolarHBondContact N-OD1 2.79Å; T58-D173 PolarHBondContact N-OD2 3.5Å; T58-D173 PolarHBondContact OG1-OD1 3.23Å; T58-D173 PolarHBondContact OG1-OD2 3.03Å
59A87.8Confident93.8Very high1 Ų151.3 Ų51.31%0.00827%0.27CS..THydrogen-bonded Turntrans-83.14.7175.600000112.9L54 G57 G61 I62 D173 Y176L54-A59 HydrophobicContact CD1-CB 3.55Å; G57-A59 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 3.47Å; A59-I62 VanDerWaalsContact O-CB 3.22Å; A59-I62 WeakPolarHBondContact O-CB 3.1Å; A59-I62 WeakPolarHBondContact O-CG1 3.27Å; A59-I62 PolarHBondContact O-N 2.81Å; A59-I62 VanDerWaalsContact O-N 3.1Å; A59-D173 WeakPolarHBondContact CB-OD1 3.42Å; A59-D173 PolarHBondContact N-OD1 3.13Å; A59-Y176 HydrophobicContact CB-CD1 3.98Å; A59-Y176 HydrophobicContact CB-CG 3.91Å
60K90.1Very high93.9Very high149 Ų14949 Ų4965%0.64826%0.255SS*.THydrogen-bonded Turntrans-51.8132.7177.9178.8173.2-174.5171.70112.3S55 N56 G57 T58 I62S55-K60 WeakPolarHBondContact O-CD 3.29Å; S55-K60 WeakPolarHBondContact O-CE 3.33Å; S55-K60 WeakPolarHBondContact O-CG 3.23Å; N56-K60 PolarHBondContact O-N 3.38Å; G57-K60 VanDerWaalsContact O-CB 3.25Å; G57-K60 WeakPolarHBondContact O-CB 3.3Å; G57-K60 PolarHBondContact O-N 3.26Å; T58-K60 PolarHBondContact O-N 2.91Å; K60-I62 VanDerWaalsContact C-N 3.27Å; K60-I62 PolarHBondContact O-N 3.29Å
61G90.5Very high93.9Very high20 Ų2047.1 Ų47.121%0.20625%0.248CC..THydrogen-bonded Turntrans84.3-6.2179.200000114.4R53 L54 A59R53-G61 PolarHBondContact NH1-O 3.1Å; R53-G61 VanDerWaalsContact NH1-O 3.09Å; R53-G61 PolarHBondContact NH2-O 3.38Å; L54-G61 PolarHBondContact O-N 3.44Å; A59-G61 PolarHBondContact O-N 3.47Å
62I92.2Very high93.9Very high32 Ų3242.7 Ų42.716%0.16423%0.229CC..  trans-74.3133.4173.7-58.6-61.8000109.6L14 R53 L54 A59 K60 Y176L14-I62 HydrophobicContact CD1-CG2 3.68Å; L14-I62 HydrophobicContact CG-CG2 3.84Å; R53-I62 WeakPolarHBondContact CA-O 3.42Å; L54-I62 PolarHBondContact N-O 3.09Å; A59-I62 VanDerWaalsContact O-CB 3.22Å; A59-I62 WeakPolarHBondContact O-CB 3.1Å; A59-I62 WeakPolarHBondContact O-CG1 3.27Å; A59-I62 PolarHBondContact O-N 2.81Å; A59-I62 VanDerWaalsContact O-N 3.1Å; K60-I62 VanDerWaalsContact C-N 3.27Å; K60-I62 PolarHBondContact O-N 3.29Å; I62-Y176 HydrophobicContact CD1-CE2 3.83Å; I62-Y176 HydrophobicContact CG1-CD2 4.28Å; I62-Y176 HydrophobicContact CG1-CE2 3.8Å
63S95.1Very high94Very high41 Ų4149.4 Ų49.429%0.28726%0.261SS..EExtended strand (participates in β ladder)trans-87.7129.4169.8-179.60000109.1S13 L14S13-S63 CarbonylContact C-O 3.47Å; S13-S63 WeakPolarHBondContact CA-O 3.39Å; S13-S63 PolarHBondContact OG-O 3.31Å; S13-S63 PolarHBondContact OG-OG 3.1Å; S13-S63 VanDerWaalsContact OG-OG 3.06Å; L14-S63 PolarHBondContact N-O 2.82Å
64C96.6Very high94Very high1 Ų148.5 Ų48.51%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-120.7134.2175-65.80000109L14 I16 K51 I52 F66L14-C64 CarbonylContact O-C 3.51Å; L14-C64 WeakPolarHBondContact O-CA 3.22Å; I16-C64 HydrophobicContact CG1-CB 4.41Å; K51-C64 WeakPolarHBondContact CA-O 3.4Å; I52-C64 PolarHBondContact N-O 3.18Å; I52-C64 PolarHBondContact O-N 3.29Å; C64-F66 HydrophobicContact CB-CD2 3.87Å; C64-F66 HydrophobicContact CB-CE2 3.31Å; C64-F66 HydrophobicContact CB-CZ 3.88Å
65H97.2Very high94.1Very high49 Ų4949.1 Ų49.123%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-104.2107.2169.1-173.1-154.4000107.9L14 I16 K51 W67L14-H65 PolarHBondContact O-N 3.43Å; I16-H65 PolarHBondContact N-O 3.34Å; K51-H65 HydrophobicContact CG-CB 4.44Å; H65-W67 AromaticContact CE1-CE2 3.86Å; H65-W67 AromaticContact CE1-CZ2 3.87Å; H65-W67 AromaticContact CE1-NE1 3.57Å; H65-W67 AromaticContact ND1-NE1 3.58Å
66F97.9Very high94.5Very high0 Ų046.5 Ų46.50%024%0.244CC..EExtended strand (participates in β ladder)trans-92.1139.6-177.1-73-89.2000111.1I16 M18 L30 L33 T49 E50 I52 C64 I90 M172I16-F66 HydrophobicContact CB-CD1 3.89Å; I16-F66 HydrophobicContact CB-CE1 3.97Å; I16-F66 HydrophobicContact CG1-CE1 4.41Å; I16-F66 HydrophobicContact CG2-CD1 3.88Å; I16-F66 HydrophobicContact CG2-CE1 3.76Å; I16-F66 CarbonylContact O-C 3.42Å; I16-F66 VanDerWaalsContact O-CA 3.27Å; I16-F66 WeakPolarHBondContact O-CA 3.36Å; M18-F66 HydrophobicContact CE-CD1 4.37Å; L30-F66 HydrophobicContact CD1-CB 3.39Å; L30-F66 HydrophobicContact CD1-CD1 4.18Å; L30-F66 HydrophobicContact CD1-CD2 4.13Å; L30-F66 HydrophobicContact CD1-CG 3.66Å; L33-F66 HydrophobicContact CD1-CE1 4.37Å; L33-F66 HydrophobicContact CD1-CZ 4.09Å; T49-F66 VanDerWaalsContact CA-O 3.24Å; T49-F66 WeakPolarHBondContact CA-O 3.44Å; E50-F66 PolarHBondContact N-O 3.34Å; E50-F66 VanDerWaalsContact N-O 3.1Å; E50-F66 PolarHBondContact O-N 3.47Å; I52-F66 HydrophobicContact CB-CD2 4.21Å; I52-F66 HydrophobicContact CB-CE2 3.97Å; I52-F66 HydrophobicContact CD1-CD2 3.69Å; I52-F66 HydrophobicContact CD1-CE2 3.78Å; I52-F66 HydrophobicContact CG1-CD2 3.93Å; I52-F66 HydrophobicContact CG1-CE2 4.11Å; C64-F66 HydrophobicContact CB-CD2 3.87Å; C64-F66 HydrophobicContact CB-CE2 3.31Å; C64-F66 HydrophobicContact CB-CZ 3.88Å; F66-I90 HydrophobicContact CE1-CD1 3.8Å; F66-M172 HydrophobicContact CE1-CE 4.26Å; F66-M172 HydrophobicContact CE1-SD 4.32Å; F66-M172 HydrophobicContact CZ-CE 3.72Å; F66-M172 HydrophobicContact CZ-SD 4.09Å
67W97.8Very high94.8Very high61 Ų6147.6 Ų47.623%0.23126%0.255CS..EExtended strand (participates in β ladder)trans-117.1102.6168.1-65.873.4000108.7H15 I16 V17 M18 F47 N48 T49 H65 Y82H15-W67 AromaticContact CD2-CD1 3.3Å; H15-W67 AromaticContact CD2-NE1 3.3Å; H15-W67 PolarHBondContact CD2-NE1 2.89Å; H15-W67 VanDerWaalsContact CD2-NE1 3.3Å; H15-W67 AromaticContact NE2-CD1 3.03Å; H15-W67 AromaticContact NE2-CE2 3.83Å; H15-W67 AromaticContact NE2-CG 3.88Å; H15-W67 AromaticContact NE2-NE1 2.96Å; H15-W67 PolarHBondContact NE2-NE1 3.25Å; I16-W67 PolarHBondContact O-N 3.04Å; V17-W67 HydrophobicContact CG2-CB 4.29Å; M18-W67 PolarHBondContact N-O 3.4Å; F47-W67 AromaticContact CD2-CE3 3.79Å; F47-W67 HydrophobicContact CD2-CE3 3.79Å; F47-W67 AromaticContact CD2-CZ3 3.86Å; F47-W67 HydrophobicContact CD2-CZ3 3.86Å; F47-W67 HydrophobicContact CE2-CE3 4.03Å; F47-W67 AromaticContact CE2-CZ3 3.6Å; F47-W67 HydrophobicContact CE2-CZ3 3.6Å; F47-W67 HydrophobicContact CZ-CZ3 4.33Å; N48-W67 WeakPolarHBondContact O-CA 3.27Å; T49-W67 HydrophobicContact CG2-CD2 3.57Å; T49-W67 HydrophobicContact CG2-CE3 3.39Å; T49-W67 HydrophobicContact CG2-CG 4.19Å; T49-W67 HydrophobicContact CG2-CH2 4.08Å; T49-W67 HydrophobicContact CG2-CZ2 4.23Å; T49-W67 HydrophobicContact CG2-CZ3 3.65Å; H65-W67 AromaticContact CE1-CE2 3.86Å; H65-W67 AromaticContact CE1-CZ2 3.87Å; H65-W67 AromaticContact CE1-NE1 3.57Å; H65-W67 AromaticContact ND1-NE1 3.58Å; W67-Y82 HydrophobicContact CD2-CD1 4.33Å; W67-Y82 AromaticContact CE3-CD1 3.5Å; W67-Y82 HydrophobicContact CE3-CD1 3.5Å; W67-Y82 VanDerWaalsContact CE3-CD1 3.5Å; W67-Y82 AromaticContact CE3-CE1 3.62Å; W67-Y82 HydrophobicContact CE3-CE1 3.62Å; W67-Y82 AromaticContact CZ3-CD1 3.88Å; W67-Y82 HydrophobicContact CZ3-CD1 3.88Å; W67-Y82 AromaticContact CZ3-CE1 3.6Å; W67-Y82 HydrophobicContact CZ3-CE1 3.6Å
68D97.4Very high95.1Very high0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-86.6113.9172.4169.735.6000109K26 T27 L30 F47 N48K26-D68 VanDerWaalsContact CB-OD1 3.22Å; K26-D68 WeakPolarHBondContact CB-OD1 3.41Å; T27-D68 WeakPolarHBondContact CA-OD2 3.42Å; T27-D68 WeakPolarHBondContact CB-OD2 3.48Å; T27-D68 PolarHBondContact OG1-OD2 3.49Å; L30-D68 HydrophobicContact CD2-CB 3.82Å; F47-D68 CarbonylContact C-O 3.54Å; F47-D68 WeakPolarHBondContact CA-O 3.31Å; F47-D68 WeakPolarHBondContact CB-O 3.22Å; N48-D68 HydrophobicContact CB-CB 4.35Å; N48-D68 PolarHBondContact N-O 3.4Å; N48-D68 PolarHBondContact O-N 2.92Å
69V97.6Very high95.5Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-106.3136.7-174.7-168.90000109.7V17 M18 L19 K26 G71 Y82V17-V69 HydrophobicContact CG2-CG2 3.93Å; M18-V69 PolarHBondContact O-N 3.26Å; L19-V69 HydrophobicContact CD2-CB 3.93Å; L19-V69 HydrophobicContact CD2-CG2 3.98Å; K26-V69 WeakPolarHBondContact CE-O 3.23Å; V69-G71 PolarHBondContact O-N 3.49Å; V69-Y82 HydrophobicContact CG1-CD2 3.84Å; V69-Y82 HydrophobicContact CG1-CE2 4.38Å; V69-Y82 HydrophobicContact CG1-CG 4.5Å; V69-Y82 HydrophobicContact CG2-CD2 4.01Å; V69-Y82 HydrophobicContact CG2-CG 3.82Å
70G96.9Very high95.9Very high1 Ų147.9 Ų47.91%0.0124%0.237CC..  trans-54.3136.2178.500000112.5G46 W79G46-G70 PolarHBondContact O-N 3.04Å; G70-W79 PolarHBondContact O-NE1 2.98Å
71G97.2Very high96.2Very high4 Ų444.1 Ų44.14%0.04123%0.229CC..  trans-98-5.3-174.100000115.5G20 D22 V69 R76G20-G71 WeakPolarHBondContact O-CA 3.49Å; D22-G71 PolarHBondContact N-O 3.28Å; V69-G71 PolarHBondContact O-N 3.49Å; G71-R76 PolarHBondContact O-NE 2.69Å; G71-R76 PolarHBondContact O-NH2 3.44Å
72Q97Very high96.4Very high49 Ų4945.7 Ų45.723%0.22923%0.229CC..SBendtrans-61.1142176.9-64.9178.616.700109.2D22 K74 L75 R76D22-Q72 HydrophobicContact CB-CG 3.97Å; Q72-K74 VanDerWaalsContact C-N 3.25Å; Q72-K74 HydrophobicContact CB-CG 4.38Å; Q72-K74 PolarHBondContact O-N 3.39Å; Q72-K74 VanDerWaalsContact O-N 3.1Å; Q72-L75 HydrophobicContact CB-CD1 4.34Å; Q72-L75 HydrophobicContact CB-CG 4.39Å; Q72-L75 WeakPolarHBondContact O-CA 3.46Å; Q72-L75 WeakPolarHBondContact O-CB 3.39Å; Q72-L75 PolarHBondContact O-N 2.94Å; Q72-R76 WeakPolarHBondContact O-CG 3.48Å; Q72-R76 PolarHBondContact O-N 3.49Å
73E96.6Very high96.6Very high148 Ų14844.1 Ų44.169%0.69222%0.221SC*.G310 helixtrans-45.8-47.8-176.4-170.2-176.8176.300113.1L75 R76E73-L75 PolarHBondContact O-N 2.88Å; E73-L75 VanDerWaalsContact O-N 3.1Å; E73-R76 PolarHBondContact O-N 2.96Å; E73-R76 VanDerWaalsContact O-N 3.13Å
74K96.4Very high96.5Very high159 Ų15947.7 Ų47.769%0.69123%0.228SC*.G310 helixtrans-59.9-21.6178.373.3-172.4-174-164.80115.1Q72Q72-K74 VanDerWaalsContact C-N 3.25Å; Q72-K74 HydrophobicContact CB-CG 4.38Å; Q72-K74 PolarHBondContact O-N 3.39Å; Q72-K74 VanDerWaalsContact O-N 3.1Å
75L96Very high96.2Very high22 Ų2253 Ų5312%0.11527%0.265CS..G310 helixtrans-97-18.9-179.4-60.5179.4000112.8T44 Q72 E73 P77 L78T44-L75 WeakPolarHBondContact O-CD1 3.2Å; Q72-L75 HydrophobicContact CB-CD1 4.34Å; Q72-L75 HydrophobicContact CB-CG 4.39Å; Q72-L75 WeakPolarHBondContact O-CA 3.46Å; Q72-L75 WeakPolarHBondContact O-CB 3.39Å; Q72-L75 PolarHBondContact O-N 2.94Å; E73-L75 PolarHBondContact O-N 2.88Å; E73-L75 VanDerWaalsContact O-N 3.1Å; L75-P77 VanDerWaalsContact C-N 3.32Å; L75-L78 HydrophobicContact CD2-CD1 4.31Å; L75-L78 WeakPolarHBondContact O-CB 3.06Å; L75-L78 WeakPolarHBondContact O-CG 3.49Å; L75-L78 PolarHBondContact O-N 2.94Å
76R97.2Very high96.2Very high15 Ų1551 Ų516%0.05726%0.256CS..G310 helixtrans-58.9-28.6-177.8-57.4-174.7-165.2150.53.6115.2D22 G71 Q72 E73 L78 W79 E103D22-R76 IonicContact OD1-NH2 3.02Å; G71-R76 PolarHBondContact O-NE 2.69Å; G71-R76 PolarHBondContact O-NH2 3.44Å; Q72-R76 WeakPolarHBondContact O-CG 3.48Å; Q72-R76 PolarHBondContact O-N 3.49Å; E73-R76 PolarHBondContact O-N 2.96Å; E73-R76 VanDerWaalsContact O-N 3.13Å; R76-L78 PolarHBondContact O-N 2.75Å; R76-L78 VanDerWaalsContact O-N 3.08Å; R76-W79 HydrophobicContact CB-CD2 4.24Å; R76-W79 HydrophobicContact CG-CD2 4.38Å; R76-W79 HydrophobicContact CG-CH2 4.28Å; R76-W79 HydrophobicContact CG-CZ2 3.81Å; R76-W79 VanDerWaalsContact O-CB 3.27Å; R76-W79 WeakPolarHBondContact O-CB 3.44Å; R76-W79 VanDerWaalsContact O-CG 3.31Å; R76-W79 PolarHBondContact O-N 3.29Å; R76-E103 IonicContact CZ-OE1 2.7Å; R76-E103 IonicContact NH1-OE1 3.68Å; R76-E103 PolarHBondContact NH1-OE1 3.4Å; R76-E103 IonicContact NH2-OE1 2.63Å; R76-E103 PolarHBondContact NH2-OE1 2.97Å
77P96.1Very high96.2Very high96 Ų9652.5 Ų52.562%0.62326%0.264SS*.G310 helixtrans-54.7-26.9170.8-29.137.3000114L75 W79L75-P77 VanDerWaalsContact C-N 3.32Å; P77-W79 VanDerWaalsContact C-N 3.3Å; P77-W79 PolarHBondContact O-N 2.81Å
78L95.4Very high96.2Very high64 Ų6449.6 Ų49.634%0.33525%0.253SS..G310 helixtrans-72.2-21.3178.4-59.4173.9000113.3L75 R76 K80 S81 Y82L75-L78 HydrophobicContact CD2-CD1 4.31Å; L75-L78 WeakPolarHBondContact O-CB 3.06Å; L75-L78 WeakPolarHBondContact O-CG 3.49Å; L75-L78 PolarHBondContact O-N 2.94Å; R76-L78 PolarHBondContact O-N 2.75Å; R76-L78 VanDerWaalsContact O-N 3.08Å; L78-K80 PolarHBondContact O-N 2.86Å; L78-S81 PolarHBondContact O-N 3.43Å; L78-Y82 HydrophobicContact CB-CD2 3.83Å; L78-Y82 HydrophobicContact CB-CE2 3.77Å; L78-Y82 HydrophobicContact CD1-CE2 4.31Å; L78-Y82 HydrophobicContact CG-CE2 4.45Å; L78-Y82 VanDerWaalsContact O-CD2 3.25Å; L78-Y82 WeakPolarHBondContact O-CD2 3.1Å; L78-Y82 PolarHBondContact O-N 3.06Å; L78-Y82 VanDerWaalsContact O-N 3.11Å
79W97.4Very high96.3Very high1 Ų149.8 Ų49.80%0.00425%0.254CS..Hα-helixtrans-57.2-37-175.9-68.16.6000112.2L19 G20 G70 R76 P77 S81 Y82 S83 Y91 E107 V111L19-W79 HydrophobicContact CB-CD2 4.48Å; L19-W79 HydrophobicContact CB-CE3 4.47Å; L19-W79 HydrophobicContact CD1-CB 4.39Å; L19-W79 HydrophobicContact CD1-CE3 4.45Å; L19-W79 HydrophobicContact CD2-CB 4.08Å; L19-W79 HydrophobicContact CD2-CD2 3.95Å; L19-W79 HydrophobicContact CD2-CG 3.7Å; G20-W79 VanDerWaalsContact O-CZ2 3.26Å; G20-W79 WeakPolarHBondContact O-CZ2 3.21Å; G70-W79 PolarHBondContact O-NE1 2.98Å; R76-W79 HydrophobicContact CB-CD2 4.24Å; R76-W79 HydrophobicContact CG-CD2 4.38Å; R76-W79 HydrophobicContact CG-CH2 4.28Å; R76-W79 HydrophobicContact CG-CZ2 3.81Å; R76-W79 VanDerWaalsContact O-CB 3.27Å; R76-W79 WeakPolarHBondContact O-CB 3.44Å; R76-W79 VanDerWaalsContact O-CG 3.31Å; R76-W79 PolarHBondContact O-N 3.29Å; P77-W79 VanDerWaalsContact C-N 3.3Å; P77-W79 PolarHBondContact O-N 2.81Å; W79-S81 VanDerWaalsContact C-N 3.31Å; W79-S81 PolarHBondContact O-N 3.15Å; W79-Y82 PolarHBondContact O-N 2.82Å; W79-S83 VanDerWaalsContact O-CB 3.31Å; W79-S83 WeakPolarHBondContact O-CB 3.33Å; W79-S83 PolarHBondContact O-N 3.19Å; W79-S83 PolarHBondContact O-OG 3.27Å; W79-Y91 HydrophobicContact CH2-CE2 4.21Å; W79-Y91 AromaticContact CZ3-CE2 3.92Å; W79-Y91 HydrophobicContact CZ3-CE2 3.92Å; W79-E107 HydrophobicContact CH2-CB 4.34Å; W79-E107 HydrophobicContact CZ3-CB 3.75Å; W79-V111 HydrophobicContact CB-CG2 4.46Å; W79-V111 HydrophobicContact CE3-CG2 3.56Å; W79-V111 HydrophobicContact CZ3-CG2 4.19Å
80K96.1Very high96.3Very high93 Ų9349.8 Ų49.840%0.40425%0.254SS..Hα-helixtrans-58.6-42.2175.9-177.3176.5179.4177.80112.2L78 R84 F114L78-K80 PolarHBondContact O-N 2.86Å; K80-R84 WeakPolarHBondContact O-CG 3.25Å; K80-F114 HydrophobicContact CB-CD2 4.07Å; K80-F114 HydrophobicContact CB-CE2 3.62Å; K80-F114 HydrophobicContact CB-CZ 3.88Å; K80-F114 HydrophobicContact CD-CD1 4.49Å; K80-F114 HydrophobicContact CD-CE1 4.4Å; K80-F114 HydrophobicContact CG-CD1 4.48Å; K80-F114 HydrophobicContact CG-CD2 4.05Å; K80-F114 HydrophobicContact CG-CE1 4.48Å; K80-F114 HydrophobicContact CG-CE2 4.06Å; K80-F114 HydrophobicContact CG-CG 4.28Å; K80-F114 HydrophobicContact CG-CZ 4.29Å
81S95.4Very high96.4Very high70 Ų7049.8 Ų49.849%0.4925%0.253SS..Hα-helixtrans-73.4-42.5-178.2-63.40000111.5L78 W79 R84L78-S81 PolarHBondContact O-N 3.43Å; W79-S81 VanDerWaalsContact C-N 3.31Å; W79-S81 PolarHBondContact O-N 3.15Å; S81-R84 WeakPolarHBondContact O-CG 3.38Å
82Y95.4Very high96.5Very high53 Ų5349.6 Ų49.621%0.20825%0.252CS..Hα-helixtrans-76.6-23.9-177.6-73-69.8000114F47 W67 V69 L78 W79 R84F47-Y82 HydrophobicContact CB-CE1 4.44Å; F47-Y82 HydrophobicContact CD1-CE1 4.08Å; F47-Y82 HydrophobicContact CD1-CE2 4.43Å; F47-Y82 AromaticContact CD1-CZ 3.61Å; F47-Y82 WeakPolarHBondContact CD1-OH 3.13Å; F47-Y82 HydrophobicContact CD2-CE1 4.25Å; F47-Y82 HydrophobicContact CE1-CE1 4.41Å; F47-Y82 WeakPolarHBondContact CE1-OH 3.37Å; F47-Y82 AromaticContact CG-CE1 3.99Å; F47-Y82 HydrophobicContact CG-CE1 3.99Å; F47-Y82 AromaticContact CG-CZ 3.89Å; W67-Y82 HydrophobicContact CD2-CD1 4.33Å; W67-Y82 AromaticContact CE3-CD1 3.5Å; W67-Y82 HydrophobicContact CE3-CD1 3.5Å; W67-Y82 VanDerWaalsContact CE3-CD1 3.5Å; W67-Y82 AromaticContact CE3-CE1 3.62Å; W67-Y82 HydrophobicContact CE3-CE1 3.62Å; W67-Y82 AromaticContact CZ3-CD1 3.88Å; W67-Y82 HydrophobicContact CZ3-CD1 3.88Å; W67-Y82 AromaticContact CZ3-CE1 3.6Å; W67-Y82 HydrophobicContact CZ3-CE1 3.6Å; V69-Y82 HydrophobicContact CG1-CD2 3.84Å; V69-Y82 HydrophobicContact CG1-CE2 4.38Å; V69-Y82 HydrophobicContact CG1-CG 4.5Å; V69-Y82 HydrophobicContact CG2-CD2 4.01Å; V69-Y82 HydrophobicContact CG2-CG 3.82Å; L78-Y82 HydrophobicContact CB-CD2 3.83Å; L78-Y82 HydrophobicContact CB-CE2 3.77Å; L78-Y82 HydrophobicContact CD1-CE2 4.31Å; L78-Y82 HydrophobicContact CG-CE2 4.45Å; L78-Y82 VanDerWaalsContact O-CD2 3.25Å; L78-Y82 WeakPolarHBondContact O-CD2 3.1Å; L78-Y82 PolarHBondContact O-N 3.06Å; L78-Y82 VanDerWaalsContact O-N 3.11Å; W79-Y82 PolarHBondContact O-N 2.82Å; Y82-R84 VanDerWaalsContact C-N 3.28Å; Y82-R84 PolarHBondContact O-N 3.2Å
83S96Very high96.6Very high0 Ų047.5 Ų47.50%024%0.242CC..THydrogen-bonded Turntrans-79.8-8.3177.775.90000114W79 T86 N117W79-S83 VanDerWaalsContact O-CB 3.31Å; W79-S83 WeakPolarHBondContact O-CB 3.33Å; W79-S83 PolarHBondContact O-N 3.19Å; W79-S83 PolarHBondContact O-OG 3.27Å; S83-T86 WeakPolarHBondContact O-CB 3.49Å; S83-T86 VanDerWaalsContact O-CG2 3.25Å; S83-T86 WeakPolarHBondContact O-CG2 3.22Å; S83-T86 PolarHBondContact O-N 3.27Å; S83-T86 PolarHBondContact O-OG1 2.95Å; S83-N117 WeakPolarHBondContact CB-OD1 3.25Å; S83-N117 PolarHBondContact O-OD1 3.03Å; S83-N117 VanDerWaalsContact O-OD1 3.13Å; S83-N117 PolarHBondContact OG-ND2 2.95Å; S83-N117 PolarHBondContact OG-OD1 3.16Å
84R93Very high96.7Very high115 Ų11541.3 Ų41.343%0.43421%0.214SC..THydrogen-bonded Turntrans-61.7137.3-177.5-69.3-176.2162.9169.2-7.7111.9K80 S81 Y82 T86 E116K80-R84 WeakPolarHBondContact O-CG 3.25Å; S81-R84 WeakPolarHBondContact O-CG 3.38Å; Y82-R84 VanDerWaalsContact C-N 3.28Å; Y82-R84 PolarHBondContact O-N 3.2Å; R84-T86 PolarHBondContact O-N 2.81Å; R84-E116 HydrophobicContact CG-CB 4.18Å; R84-E116 HydrophobicContact CG-CG 4.09Å; R84-E116 IonicContact CZ-OE1 2.67Å; R84-E116 IonicContact NE-OE1 3.11Å; R84-E116 PolarHBondContact NE-OE1 3.34Å; R84-E116 IonicContact NH2-OE1 2.63Å; R84-E116 PolarHBondContact NH2-OE1 2.93Å
85C91.3Very high96.8Very high114 Ų11433.8 Ų33.877%0.7718%0.181SC*.THydrogen-bonded Turntrans5330.6175-57.40000113H15H15-C85 PolarHBondContact ND1-O 3.15Å; H15-C85 VanDerWaalsContact ND1-O 3.11Å
86T96.6Very high96.9Very high6 Ų635.1 Ų35.14%0.03719%0.19CC..  trans-80.1143172.954.50000109.5H15 V17 S83 R84 G88H15-T86 CarbonylContact O-C 3.58Å; V17-T86 HydrophobicContact CB-CG2 3.77Å; V17-T86 HydrophobicContact CG1-CG2 3.77Å; S83-T86 WeakPolarHBondContact O-CB 3.49Å; S83-T86 VanDerWaalsContact O-CG2 3.25Å; S83-T86 WeakPolarHBondContact O-CG2 3.22Å; S83-T86 PolarHBondContact O-N 3.27Å; S83-T86 PolarHBondContact O-OG1 2.95Å; R84-T86 PolarHBondContact O-N 2.81Å; T86-G88 VanDerWaalsContact C-N 3.33Å
87D97.4Very high97Very high32 Ų3236.2 Ų36.217%0.17120%0.197CC..SBendtrans-71.9-34.1172-72.4-61.4000111L14 H15 I16 P121 I179 R183L14-D87 WeakPolarHBondContact CA-OD2 3.4Å; L14-D87 HydrophobicContact CD2-CB 4.46Å; H15-D87 PolarHBondContact N-OD2 2.83Å; H15-D87 PolarHBondContact O-N 2.91Å; I16-D87 HydrophobicContact CD1-CB 4.39Å; D87-P121 VanDerWaalsContact O-CD 3.25Å; D87-P121 WeakPolarHBondContact O-CD 3.4Å; D87-I179 HydrophobicContact CB-CD1 4.1Å; D87-I179 HydrophobicContact CB-CG2 4.2Å; D87-I179 WeakPolarHBondContact O-CG1 3.21Å; D87-R183 IonicContact OD1-CZ 3.12Å; D87-R183 IonicContact OD1-NE 3.14Å; D87-R183 PolarHBondContact OD1-NE 3.43Å; D87-R183 IonicContact OD1-NH2 2.74Å; D87-R183 PolarHBondContact OD1-NH2 2.87Å; D87-R183 IonicContact OD2-NH2 3.29Å; D87-R183 PolarHBondContact OD2-NH2 2.8Å
88G98.2Very high97Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-156.4156.9178.600000112.9I16 V17 T86I16-G88 WeakPolarHBondContact CA-O 3.36Å; V17-G88 PolarHBondContact N-O 2.83Å; T86-G88 VanDerWaalsContact C-N 3.33Å
89I98.8Very high97.1Very high3 Ų339.2 Ų39.22%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-112.7129.8177.2-62.1165.6000108V17 L19 V111 N117 T120 P121 L122 L123V17-I89 HydrophobicContact CG1-CB 4.24Å; V17-I89 HydrophobicContact CG1-CG1 3.76Å; V17-I89 HydrophobicContact CG1-CG2 4.23Å; L19-I89 HydrophobicContact CD1-CG2 4.26Å; I89-V111 HydrophobicContact CD1-CG1 4.14Å; I89-N117 HydrophobicContact CD1-CB 4.27Å; I89-T120 HydrophobicContact CD1-CG2 3.99Å; I89-T120 HydrophobicContact CG1-CG2 3.86Å; I89-P121 PolarHBondContact N-O 2.92Å; I89-L122 HydrophobicContact CB-CD1 4.25Å; I89-L122 HydrophobicContact CG2-CD1 3.92Å; I89-L122 WeakPolarHBondContact O-CA 3.24Å; I89-L123 PolarHBondContact O-N 3.13Å
90I98.9Very high97.1Very high1 Ų142 Ų421%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-100.8124.3163.8-60.5-178.3000107.5I16 V17 M18 L19 F66 V92 L123 I125 M172 L175I16-I90 HydrophobicContact CG2-CD1 3.86Å; I16-I90 HydrophobicContact CG2-CG1 3.81Å; V17-I90 PolarHBondContact O-N 3.05Å; M18-I90 CarbonylContact C-O 3.59Å; M18-I90 WeakPolarHBondContact CA-O 3.4Å; M18-I90 HydrophobicContact CB-CB 4.49Å; M18-I90 HydrophobicContact CE-CD1 4.31Å; M18-I90 HydrophobicContact CE-CG2 4.49Å; M18-I90 HydrophobicContact CG-CB 4.18Å; M18-I90 HydrophobicContact CG-CG2 4.09Å; L19-I90 PolarHBondContact N-O 2.83Å; F66-I90 HydrophobicContact CE1-CD1 3.8Å; I90-V92 HydrophobicContact CG2-CG2 3.97Å; I90-L123 CarbonylContact C-O 3.55Å; I90-L123 VanDerWaalsContact CA-O 3.31Å; I90-L123 WeakPolarHBondContact CA-O 3.27Å; I90-L123 HydrophobicContact CD1-CD2 4.29Å; I90-L123 HydrophobicContact CG1-CB 4.35Å; I90-L123 HydrophobicContact CG1-CD2 4.14Å; I90-I125 HydrophobicContact CG2-CG1 3.7Å; I90-M172 HydrophobicContact CD1-SD 3.74Å; I90-L175 HydrophobicContact CD1-CD2 4.01Å; I90-L175 HydrophobicContact CG1-CD2 3.68Å
91Y98.9Very high97.2Very high0 Ų037.6 Ų37.60%020%0.202CC..EExtended strand (participates in β ladder)trans-113.7110.6174.3-163.4-88.7000109.4L19 W79 V93 A104 L108 L123 V124 I125L19-Y91 HydrophobicContact CB-CD2 3.98Å; L19-Y91 HydrophobicContact CB-CE2 4.38Å; L19-Y91 CarbonylContact O-C 3.51Å; L19-Y91 WeakPolarHBondContact O-CA 3.37Å; W79-Y91 HydrophobicContact CH2-CE2 4.21Å; W79-Y91 AromaticContact CZ3-CE2 3.92Å; W79-Y91 HydrophobicContact CZ3-CE2 3.92Å; Y91-V93 HydrophobicContact CD1-CG2 3.64Å; Y91-V93 HydrophobicContact CE1-CG2 3.79Å; Y91-A104 HydrophobicContact CE1-CB 4.32Å; Y91-A104 WeakPolarHBondContact OH-CA 3.36Å; Y91-A104 PolarHBondContact OH-O 2.9Å; Y91-L108 HydrophobicContact CD1-CB 4.46Å; Y91-L108 HydrophobicContact CD1-CD1 4.12Å; Y91-L108 HydrophobicContact CD1-CD2 4.5Å; Y91-L108 HydrophobicContact CD2-CB 4.33Å; Y91-L108 HydrophobicContact CD2-CD1 3.6Å; Y91-L108 HydrophobicContact CE1-CB 4.1Å; Y91-L108 HydrophobicContact CE2-CB 3.94Å; Y91-L108 HydrophobicContact CE2-CD1 4.07Å; Y91-L108 HydrophobicContact CG-CD1 3.64Å; Y91-L123 PolarHBondContact N-O 2.89Å; Y91-V124 CarbonylContact O-C 3.57Å; Y91-V124 VanDerWaalsContact O-CA 3.3Å; Y91-V124 WeakPolarHBondContact O-CA 3.49Å; Y91-I125 PolarHBondContact O-N 3.32Å
92V98.9Very high97.3Very high1 Ų139.6 Ų39.61%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-92.8130-176.2-171.20000109.6M18 L19 A24 K26 V29 I90 I125 N127M18-V92 HydrophobicContact CG-CG2 3.81Å; M18-V92 HydrophobicContact SD-CG2 3.92Å; L19-V92 PolarHBondContact O-N 2.93Å; A24-V92 HydrophobicContact CB-CB 4.38Å; A24-V92 HydrophobicContact CB-CG1 4.17Å; A24-V92 WeakPolarHBondContact CB-O 3.36Å; A24-V92 WeakPolarHBondContact O-CG1 3.49Å; K26-V92 HydrophobicContact CB-CG2 4.44Å; K26-V92 HydrophobicContact CG-CB 3.78Å; K26-V92 HydrophobicContact CG-CG2 3.79Å; V29-V92 HydrophobicContact CG2-CG1 4.41Å; V29-V92 HydrophobicContact CG2-CG2 4.5Å; I90-V92 HydrophobicContact CG2-CG2 3.97Å; V92-I125 HydrophobicContact CG1-CB 4.42Å; V92-I125 HydrophobicContact CG1-CG2 4.46Å; V92-I125 HydrophobicContact CG2-CB 4.33Å; V92-N127 HydrophobicContact CG1-CB 3.84Å
93V98.8Very high97.5Very high4 Ų440.1 Ų40.12%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-121.8134.7-177.8179.40000109Y91 S95 L101 V124 I125 N127 I140 L144Y91-V93 HydrophobicContact CD1-CG2 3.64Å; Y91-V93 HydrophobicContact CE1-CG2 3.79Å; V93-S95 PolarHBondContact O-N 3.42Å; V93-L101 HydrophobicContact CG1-CD2 3.43Å; V93-L101 VanDerWaalsContact CG1-CD2 3.43Å; V93-V124 HydrophobicContact CG2-CG1 3.95Å; V93-I125 PolarHBondContact N-O 3.4Å; V93-N127 WeakPolarHBondContact O-CB 3.24Å; V93-N127 PolarHBondContact O-N 2.62Å; V93-I140 HydrophobicContact CG1-CG2 4.29Å; V93-L144 HydrophobicContact CG2-CD1 4Å
94D98.7Very high97.6Very high19 Ų1940.3 Ų40.310%0.10221%0.21CC..EExtended strand (participates in β ladder)trans-76.4113168.9-171.6-23.5000108.9V96 D97 K128D94-V96 PolarHBondContact O-N 3.29Å; D94-V96 PolarHBondContact OD1-N 3.28Å; D94-D97 HydrophobicContact CB-CB 3.77Å; D94-D97 PolarHBondContact O-N 2.91Å; D94-D97 PolarHBondContact OD1-N 3Å; D94-K128 WeakPolarHBondContact OD1-CD 3.41Å; D94-K128 IonicContact OD1-NZ 3.22Å; D94-K128 VanDerWaalsContact OD2-CE 3.27Å; D94-K128 WeakPolarHBondContact OD2-CE 3.36Å; D94-K128 IonicContact OD2-NZ 3.52Å; D94-K128 PolarHBondContact OD2-NZ 3.17Å
95S98.7Very high97.9Very high0 Ų037.1 Ų37.10%020%0.199CC..SBendtrans-72.3-11.4-176.6-51.60000113.3V93 N127 Q129 L135 I140V93-S95 PolarHBondContact O-N 3.42Å; S95-N127 WeakPolarHBondContact CB-O 3.28Å; S95-N127 PolarHBondContact N-O 3.34Å; S95-N127 PolarHBondContact OG-N 3.04Å; S95-N127 PolarHBondContact OG-O 3.01Å; S95-Q129 VanDerWaalsContact CB-NE2 3.31Å; S95-Q129 PolarHBondContact OG-NE2 3.06Å; S95-L135 WeakPolarHBondContact O-CB 3.37Å; S95-L135 WeakPolarHBondContact O-CG 3.25Å; S95-L135 PolarHBondContact O-N 3.45Å; S95-I140 WeakPolarHBondContact OG-CD1 3.37Å
96V98.3Very high98.2Very high50 Ų5035.4 Ų35.430%0.30319%0.185SC..SBendtrans-98.5-23.4-178.9-175.10000111.6D94 V98 L131D94-V96 PolarHBondContact O-N 3.29Å; D94-V96 PolarHBondContact OD1-N 3.28Å; V96-V98 VanDerWaalsContact C-N 3.31Å; V96-V98 PolarHBondContact O-N 2.91Å; V96-L131 HydrophobicContact CG2-CB 3.64Å; V96-L131 HydrophobicContact CG2-CD1 3.93Å; V96-L131 HydrophobicContact CG2-CG 4.4Å
97D97.7Very high98.3Very high38 Ų3836.4 Ų36.420%0.20319%0.189CC..  trans-87.667.6-173.5-162-16.8000111.8D94 D99 R100D94-D97 HydrophobicContact CB-CB 3.77Å; D94-D97 PolarHBondContact O-N 2.91Å; D94-D97 PolarHBondContact OD1-N 3Å; D97-D99 PolarHBondContact O-N 3.14Å; D97-R100 PolarHBondContact O-N 2.95Å; D97-R100 PolarHBondContact OD1-N 2.99Å; D97-R100 IonicContact OD1-NE 3.09Å; D97-R100 IonicContact OD2-CZ 3.73Å; D97-R100 IonicContact OD2-NE 2.95Å; D97-R100 PolarHBondContact OD2-NE 3.32Å; D97-R100 IonicContact OD2-NH2 3.98Å; D97-R100 PolarHBondContact OD2-NH2 3.25Å
98V96.5Very high98.4Very high66 Ų6634.9 Ų34.940%0.418%0.181SC..G310 helixtrans-59.2-36.8-177.2-172.20000111.6V96 R100 L101 L135V96-V98 VanDerWaalsContact C-N 3.31Å; V96-V98 PolarHBondContact O-N 2.91Å; V98-R100 PolarHBondContact O-N 2.76Å; V98-L101 WeakPolarHBondContact O-CB 3.33Å; V98-L101 PolarHBondContact O-N 3.11Å; V98-L101 VanDerWaalsContact O-N 3.13Å; V98-L135 HydrophobicContact CG1-CD1 4.49Å; V98-L135 HydrophobicContact CG2-CD1 3.78Å; V98-L135 HydrophobicContact CG2-CD2 4.45Å; V98-L135 HydrophobicContact CG2-CG 4.12Å
99D97.4Very high98.4Very high158 Ų15835.8 Ų35.885%0.84519%0.185SC*.G310 helixtrans-62.6-29.2-177.1-64.3-25.3000112.4D97D97-D99 PolarHBondContact O-N 3.14Å
100R98.1Very high98.4Very high58 Ų5840.1 Ų40.122%0.21920%0.204CC..G310 helixtrans-98.96.4178.6-63.1-162.1-65.41604.8114.4L21 D22 D97 V98 E102 E103 A104L21-R100 HydrophobicContact CD1-CB 3.88Å; D22-R100 PolarHBondContact O-NH1 3.2Å; D22-R100 PolarHBondContact O-NH2 2.76Å; D22-R100 VanDerWaalsContact O-NH2 3.13Å; D22-R100 IonicContact OD1-NH1 2.89Å; D22-R100 IonicContact OD2-CZ 2.85Å; D22-R100 IonicContact OD2-NH1 3.39Å; D22-R100 PolarHBondContact OD2-NH1 3Å; D97-R100 PolarHBondContact O-N 2.95Å; D97-R100 PolarHBondContact OD1-N 2.99Å; D97-R100 IonicContact OD1-NE 3.09Å; D97-R100 IonicContact OD2-CZ 3.73Å; D97-R100 IonicContact OD2-NE 2.95Å; D97-R100 PolarHBondContact OD2-NE 3.32Å; D97-R100 IonicContact OD2-NH2 3.98Å; D97-R100 PolarHBondContact OD2-NH2 3.25Å; V98-R100 PolarHBondContact O-N 2.76Å; R100-E102 PolarHBondContact O-N 2.85Å; R100-E103 WeakPolarHBondContact O-CB 3.48Å; R100-E103 PolarHBondContact O-N 2.92Å; R100-A104 WeakPolarHBondContact O-CB 3.44Å; R100-A104 PolarHBondContact O-N 3.36Å
101L97.9Very high98.3Very high2 Ų240.1 Ų40.11%0.0120%0.204CC..Hα-helixtrans-67.2-35.9179-82.3177.9000113.7V93 V98 E103 A104 K105 L135 Q143 L144V93-L101 HydrophobicContact CG1-CD2 3.43Å; V93-L101 VanDerWaalsContact CG1-CD2 3.43Å; V98-L101 WeakPolarHBondContact O-CB 3.33Å; V98-L101 PolarHBondContact O-N 3.11Å; V98-L101 VanDerWaalsContact O-N 3.13Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 2.93Å; L101-A104 PolarHBondContact O-N 2.88Å; L101-K105 WeakPolarHBondContact O-CB 3.41Å; L101-K105 PolarHBondContact O-N 3.04Å; L101-L135 HydrophobicContact CD1-CD1 3.38Å; L101-Q143 HydrophobicContact CD1-CB 4.23Å; L101-L144 HydrophobicContact CD2-CD2 4.29Å
102E98.4Very high98.2Very high111 Ų11140.5 Ų40.552%0.51921%0.206SC..Hα-helixtrans-68.4-34.2176.6-170.462-15600111.4R100 K105 T106R100-E102 PolarHBondContact O-N 2.85Å; E102-K105 WeakPolarHBondContact OE1-CD 3.27Å; E102-K105 IonicContact OE1-NZ 2.69Å; E102-K105 PolarHBondContact OE1-NZ 3.29Å; E102-K105 WeakPolarHBondContact OE2-CD 3.3Å; E102-K105 IonicContact OE2-NZ 3.37Å; E102-K105 PolarHBondContact OE2-NZ 2.86Å; E102-T106 WeakPolarHBondContact O-CB 3.42Å; E102-T106 PolarHBondContact O-N 3.25Å; E102-T106 PolarHBondContact O-OG1 3.28Å
103E98.6Very high98.1Very high65 Ų6547.4 Ų47.430%0.30424%0.236SC..Hα-helixtrans-64.9-45.8171.5-177.2-173.6-17400110.8L21 R76 R100 L101 K105 T106 E107L21-E103 HydrophobicContact CD1-CB 4.17Å; L21-E103 HydrophobicContact CD1-CG 4.05Å; L21-E103 HydrophobicContact CD2-CG 4.18Å; R76-E103 IonicContact CZ-OE1 2.7Å; R76-E103 IonicContact NH1-OE1 3.68Å; R76-E103 PolarHBondContact NH1-OE1 3.4Å; R76-E103 IonicContact NH2-OE1 2.63Å; R76-E103 PolarHBondContact NH2-OE1 2.97Å; R100-E103 WeakPolarHBondContact O-CB 3.48Å; R100-E103 PolarHBondContact O-N 2.92Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 2.93Å; E103-K105 PolarHBondContact O-N 3.22Å; E103-T106 PolarHBondContact O-N 3.01Å; E103-E107 PolarHBondContact O-N 3.14Å
104A98.8Very high97.9Very high4 Ų448.9 Ų48.93%0.03324%0.242CC..Hα-helixtrans-60.4-45.917700000111.6L21 Y91 R100 L101 E107 L108 L144L21-A104 HydrophobicContact CD1-CB 3.87Å; L21-A104 HydrophobicContact CG-CB 4.03Å; Y91-A104 HydrophobicContact CE1-CB 4.32Å; Y91-A104 WeakPolarHBondContact OH-CA 3.36Å; Y91-A104 PolarHBondContact OH-O 2.9Å; R100-A104 WeakPolarHBondContact O-CB 3.44Å; R100-A104 PolarHBondContact O-N 3.36Å; L101-A104 PolarHBondContact O-N 2.88Å; A104-E107 PolarHBondContact O-N 3.37Å; A104-L108 VanDerWaalsContact O-CB 3.25Å; A104-L108 WeakPolarHBondContact O-CB 3.45Å; A104-L108 PolarHBondContact O-N 3.43Å; A104-L144 HydrophobicContact CB-CD2 4.18Å
105K98.8Very high97.7Very high47 Ų4751.8 Ų51.820%0.20427%0.269CS..Hα-helixtrans-55.7-52.3173174.5-163.8174.8-168.40111.1L101 E102 E103 E107 L108 H109 Q143 L144L101-K105 WeakPolarHBondContact O-CB 3.41Å; L101-K105 PolarHBondContact O-N 3.04Å; E102-K105 WeakPolarHBondContact OE1-CD 3.27Å; E102-K105 IonicContact OE1-NZ 2.69Å; E102-K105 PolarHBondContact OE1-NZ 3.29Å; E102-K105 WeakPolarHBondContact OE2-CD 3.3Å; E102-K105 IonicContact OE2-NZ 3.37Å; E102-K105 PolarHBondContact OE2-NZ 2.86Å; E103-K105 PolarHBondContact O-N 3.22Å; K105-E107 VanDerWaalsContact C-N 3.32Å; K105-E107 PolarHBondContact O-N 3.29Å; K105-L108 PolarHBondContact O-N 2.88Å; K105-H109 WeakPolarHBondContact O-CB 3.3Å; K105-H109 PolarHBondContact O-CD2 2.99Å; K105-H109 PolarHBondContact O-N 3.31Å; K105-Q143 WeakPolarHBondContact CD-O 3.32Å; K105-L144 HydrophobicContact CB-CD2 4.07Å
106T98.7Very high97.3Very high78 Ų7855 Ų5548%0.47928%0.284SS..Hα-helixtrans-56.2-47.6-177.3-63.20000111.3E102 E103 K110E102-T106 WeakPolarHBondContact O-CB 3.42Å; E102-T106 PolarHBondContact O-N 3.25Å; E102-T106 PolarHBondContact O-OG1 3.28Å; E103-T106 PolarHBondContact O-N 3.01Å; T106-K110 WeakPolarHBondContact O-CB 3.3Å; T106-K110 PolarHBondContact O-N 3.47Å; T106-K110 VanDerWaalsContact O-N 3.12Å
107E98.7Very high97.2Very high28 Ų2852.7 Ų52.713%0.13127%0.27CS..Hα-helixtrans-72.6-35.5179.8-69.9-63.1137.200112.7W79 E103 A104 K105 K110 V111W79-E107 HydrophobicContact CH2-CB 4.34Å; W79-E107 HydrophobicContact CZ3-CB 3.75Å; E103-E107 PolarHBondContact O-N 3.14Å; A104-E107 PolarHBondContact O-N 3.37Å; K105-E107 VanDerWaalsContact C-N 3.32Å; K105-E107 PolarHBondContact O-N 3.29Å; E107-K110 PolarHBondContact O-N 2.9Å; E107-K110 IonicContact OE1-NZ 3.22Å; E107-K110 PolarHBondContact OE1-NZ 3.3Å; E107-K110 IonicContact OE2-NZ 2.98Å; E107-K110 PolarHBondContact OE2-NZ 2.94Å; E107-K110 VanDerWaalsContact OE2-NZ 3.11Å; E107-V111 WeakPolarHBondContact O-CG2 3.49Å; E107-V111 PolarHBondContact O-N 3.28Å
108L98.7Very high96.9Very high0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-59.3-51.1173.3174.563.8000111.3Y91 A104 K105 K110 V111 T112 L122 L144 L146Y91-L108 HydrophobicContact CD1-CB 4.46Å; Y91-L108 HydrophobicContact CD1-CD1 4.12Å; Y91-L108 HydrophobicContact CD1-CD2 4.5Å; Y91-L108 HydrophobicContact CD2-CB 4.33Å; Y91-L108 HydrophobicContact CD2-CD1 3.6Å; Y91-L108 HydrophobicContact CE1-CB 4.1Å; Y91-L108 HydrophobicContact CE2-CB 3.94Å; Y91-L108 HydrophobicContact CE2-CD1 4.07Å; Y91-L108 HydrophobicContact CG-CD1 3.64Å; A104-L108 VanDerWaalsContact O-CB 3.25Å; A104-L108 WeakPolarHBondContact O-CB 3.45Å; A104-L108 PolarHBondContact O-N 3.43Å; K105-L108 PolarHBondContact O-N 2.88Å; L108-K110 VanDerWaalsContact C-N 3.28Å; L108-K110 PolarHBondContact O-N 3.11Å; L108-V111 WeakPolarHBondContact O-CB 3.31Å; L108-V111 PolarHBondContact O-N 3.01Å; L108-V111 VanDerWaalsContact O-N 3.14Å; L108-T112 HydrophobicContact CD1-CG2 4.25Å; L108-T112 PolarHBondContact O-N 3.5Å; L108-T112 PolarHBondContact O-OG1 3.14Å; L108-L122 HydrophobicContact CD1-CD1 3.81Å; L108-L122 HydrophobicContact CD1-CD2 3.77Å; L108-L122 HydrophobicContact CD1-CG 4.45Å; L108-L122 HydrophobicContact CD2-CD2 4.3Å; L108-L122 HydrophobicContact CG-CD2 4.45Å; L108-L144 HydrophobicContact CD2-CB 4.38Å; L108-L144 HydrophobicContact CD2-CD1 4.35Å; L108-L146 HydrophobicContact CD2-CD2 3.47Å; L108-L146 VanDerWaalsContact CD2-CD2 3.47Å
109H98.5Very high96.8Very high19 Ų1952.3 Ų52.39%0.08827%0.266CS..Hα-helixtrans-61.2-38-179.9-86.8-98.6000112.1K105 T112 K113 L144 A145K105-H109 WeakPolarHBondContact O-CB 3.3Å; K105-H109 PolarHBondContact O-CD2 2.99Å; K105-H109 PolarHBondContact O-N 3.31Å; H109-T112 WeakPolarHBondContact CA-OG1 3.35Å; H109-T112 PolarHBondContact O-OG1 3.1Å; H109-K113 WeakPolarHBondContact O-CB 3.46Å; H109-K113 WeakPolarHBondContact O-CD 3.22Å; H109-K113 WeakPolarHBondContact O-CG 3.45Å; H109-K113 PolarHBondContact O-N 3.47Å; H109-K113 VanDerWaalsContact O-N 3.15Å; H109-L144 PolarHBondContact NE2-O 3.48Å; H109-A145 PolarHBondContact NE2-O 2.88Å
110K97.9Very high96.8Very high93 Ų9345 Ų4540%0.40423%0.227SC..Hα-helixtrans-62.4-46.4173.9178.3-178.6169.8-165.80111.6T106 E107 L108 K113 F114T106-K110 WeakPolarHBondContact O-CB 3.3Å; T106-K110 PolarHBondContact O-N 3.47Å; T106-K110 VanDerWaalsContact O-N 3.12Å; E107-K110 PolarHBondContact O-N 2.9Å; E107-K110 IonicContact OE1-NZ 3.22Å; E107-K110 PolarHBondContact OE1-NZ 3.3Å; E107-K110 IonicContact OE2-NZ 2.98Å; E107-K110 PolarHBondContact OE2-NZ 2.94Å; E107-K110 VanDerWaalsContact OE2-NZ 3.11Å; L108-K110 VanDerWaalsContact C-N 3.28Å; L108-K110 PolarHBondContact O-N 3.11Å; K110-K113 PolarHBondContact O-N 3.4Å; K110-F114 HydrophobicContact CG-CE1 3.98Å; K110-F114 HydrophobicContact CG-CZ 3.96Å; K110-F114 WeakPolarHBondContact O-CD1 3.43Å; K110-F114 WeakPolarHBondContact O-CE1 3.37Å; K110-F114 PolarHBondContact O-N 2.88Å
111V97.7Very high96.8Very high1 Ų142.2 Ų42.21%0.00622%0.216CC..Hα-helixtrans-60.1-47177168.70000111.5L19 W79 I89 E107 L108 K113 F114 N117L19-V111 HydrophobicContact CD1-CG1 3.71Å; L19-V111 HydrophobicContact CD1-CG2 4.04Å; W79-V111 HydrophobicContact CB-CG2 4.46Å; W79-V111 HydrophobicContact CE3-CG2 3.56Å; W79-V111 HydrophobicContact CZ3-CG2 4.19Å; I89-V111 HydrophobicContact CD1-CG1 4.14Å; E107-V111 WeakPolarHBondContact O-CG2 3.49Å; E107-V111 PolarHBondContact O-N 3.28Å; L108-V111 WeakPolarHBondContact O-CB 3.31Å; L108-V111 PolarHBondContact O-N 3.01Å; L108-V111 VanDerWaalsContact O-N 3.14Å; V111-K113 PolarHBondContact O-N 2.86Å; V111-F114 HydrophobicContact CB-CE2 4.42Å; V111-F114 HydrophobicContact CG2-CE2 4.15Å; V111-F114 WeakPolarHBondContact O-CD2 3.37Å; V111-F114 PolarHBondContact O-N 2.64Å; V111-N117 WeakPolarHBondContact CG1-ND2 3.49Å; V111-N117 PolarHBondContact O-ND2 3.27Å
112T96.8Very high96.8Very high8 Ų842.1 Ų42.15%0.04922%0.216CC..Hα-helixtrans-69.1-20.3-178.354.30000113.1L108 H109 Q118 L122 L149 T153L108-T112 HydrophobicContact CD1-CG2 4.25Å; L108-T112 PolarHBondContact O-N 3.5Å; L108-T112 PolarHBondContact O-OG1 3.14Å; H109-T112 WeakPolarHBondContact CA-OG1 3.35Å; H109-T112 PolarHBondContact O-OG1 3.1Å; T112-Q118 PolarHBondContact O-NE2 3.2Å; T112-L122 HydrophobicContact CG2-CD2 4.31Å; T112-L149 HydrophobicContact CG2-CD2 4.12Å; T112-L149 WeakPolarHBondContact OG1-CD2 3.35Å; T112-T153 HydrophobicContact CG2-CG2 4.32Å
113K95.9Very high96.9Very high147 Ų14736.9 Ų36.964%0.63919%0.191SC*.Hα-helixtrans-83.2-13.1176.9-75.8171.6-175.4175.30113.6H109 K110 V111 A115H109-K113 WeakPolarHBondContact O-CB 3.46Å; H109-K113 WeakPolarHBondContact O-CD 3.22Å; H109-K113 WeakPolarHBondContact O-CG 3.45Å; H109-K113 PolarHBondContact O-N 3.47Å; H109-K113 VanDerWaalsContact O-N 3.15Å; K110-K113 PolarHBondContact O-N 3.4Å; V111-K113 PolarHBondContact O-N 2.86Å; K113-A115 PolarHBondContact O-N 3.46Å
114F95.8Very high96.9Very high34 Ų3433.8 Ų33.815%0.14918%0.177CC..SBendtrans-59136.5174.4-61.5-29.5000110.9K80 K110 V111 E116 N117 Q118K80-F114 HydrophobicContact CB-CD2 4.07Å; K80-F114 HydrophobicContact CB-CE2 3.62Å; K80-F114 HydrophobicContact CB-CZ 3.88Å; K80-F114 HydrophobicContact CD-CD1 4.49Å; K80-F114 HydrophobicContact CD-CE1 4.4Å; K80-F114 HydrophobicContact CG-CD1 4.48Å; K80-F114 HydrophobicContact CG-CD2 4.05Å; K80-F114 HydrophobicContact CG-CE1 4.48Å; K80-F114 HydrophobicContact CG-CE2 4.06Å; K80-F114 HydrophobicContact CG-CG 4.28Å; K80-F114 HydrophobicContact CG-CZ 4.29Å; K110-F114 HydrophobicContact CG-CE1 3.98Å; K110-F114 HydrophobicContact CG-CZ 3.96Å; K110-F114 WeakPolarHBondContact O-CD1 3.43Å; K110-F114 WeakPolarHBondContact O-CE1 3.37Å; K110-F114 PolarHBondContact O-N 2.88Å; V111-F114 HydrophobicContact CB-CE2 4.42Å; V111-F114 HydrophobicContact CG2-CE2 4.15Å; V111-F114 WeakPolarHBondContact O-CD2 3.37Å; V111-F114 PolarHBondContact O-N 2.64Å; F114-E116 PolarHBondContact O-N 2.89Å; F114-N117 HydrophobicContact CB-CB 4.32Å; F114-N117 PolarHBondContact O-N 3.41Å; F114-Q118 PolarHBondContact O-N 2.8Å
115A93.6Very high96.9Very high80 Ų8033.7 Ų33.766%0.66118%0.176SC*.G310 helixtrans-57.5-37.2-17800000111.4K113 N117 Q118K113-A115 PolarHBondContact O-N 3.46Å; A115-N117 PolarHBondContact O-N 3.37Å; A115-Q118 WeakPolarHBondContact O-CG 3.5Å; A115-Q118 PolarHBondContact O-N 3.18Å
116E91.2Very high96.9Very high68 Ų6831.5 Ų31.532%0.31817%0.166SC..G310 helixtrans-69.1-17.8178.4-57.797.213900113.9R84 F114R84-E116 HydrophobicContact CG-CB 4.18Å; R84-E116 HydrophobicContact CG-CG 4.09Å; R84-E116 IonicContact CZ-OE1 2.67Å; R84-E116 IonicContact NE-OE1 3.11Å; R84-E116 PolarHBondContact NE-OE1 3.34Å; R84-E116 IonicContact NH2-OE1 2.63Å; R84-E116 PolarHBondContact NH2-OE1 2.93Å; F114-E116 PolarHBondContact O-N 2.89Å
117N95.3Very high96.9Very high2 Ų228 Ų281%0.01114%0.144CC..G310 helixtrans-102.52.2-178.2-66.2-9.9000113.1S83 I89 V111 F114 A115 G119 T120S83-N117 WeakPolarHBondContact CB-OD1 3.25Å; S83-N117 PolarHBondContact O-OD1 3.03Å; S83-N117 VanDerWaalsContact O-OD1 3.13Å; S83-N117 PolarHBondContact OG-ND2 2.95Å; S83-N117 PolarHBondContact OG-OD1 3.16Å; I89-N117 HydrophobicContact CD1-CB 4.27Å; V111-N117 WeakPolarHBondContact CG1-ND2 3.49Å; V111-N117 PolarHBondContact O-ND2 3.27Å; F114-N117 HydrophobicContact CB-CB 4.32Å; F114-N117 PolarHBondContact O-N 3.41Å; A115-N117 PolarHBondContact O-N 3.37Å; N117-G119 PolarHBondContact O-N 2.79Å; N117-T120 VanDerWaalsContact O-CB 3.3Å; N117-T120 WeakPolarHBondContact O-CB 3.41Å; N117-T120 PolarHBondContact O-N 3.41Å; N117-T120 PolarHBondContact O-OG1 3.22Å
118Q92.4Very high96.9Very high85 Ų8529 Ų2940%0.39715%0.148SC..THydrogen-bonded Turntrans-59.9121.6-176.8-72.2-62.7-36.800112T112 F114 A115 T120 R182T112-Q118 PolarHBondContact O-NE2 3.2Å; F114-Q118 PolarHBondContact O-N 2.8Å; A115-Q118 WeakPolarHBondContact O-CG 3.5Å; A115-Q118 PolarHBondContact O-N 3.18Å; Q118-T120 PolarHBondContact O-N 2.83Å; Q118-R182 PolarHBondContact O-NH2 3Å
119G93.1Very high96.9Very high11 Ų1131.6 Ų31.611%0.11316%0.16CC..THydrogen-bonded Turntrans68.412.2-176.100000115.2N117 S152 R182N117-G119 PolarHBondContact O-N 2.79Å; G119-S152 VanDerWaalsContact CA-O 3.3Å; G119-S152 WeakPolarHBondContact CA-O 3.34Å; G119-R182 WeakPolarHBondContact O-CD 3.37Å; G119-R182 VanDerWaalsContact O-CZ 3.24Å; G119-R182 PolarHBondContact O-NE 2.81Å
120T97.4Very high96.8Very high4 Ų434.2 Ų34.23%0.02518%0.175CC..  trans-70.8128.1172.7-62.70000109.9I89 N117 Q118 R182I89-T120 HydrophobicContact CD1-CG2 3.99Å; I89-T120 HydrophobicContact CG1-CG2 3.86Å; N117-T120 VanDerWaalsContact O-CB 3.3Å; N117-T120 WeakPolarHBondContact O-CB 3.41Å; N117-T120 PolarHBondContact O-N 3.41Å; N117-T120 PolarHBondContact O-OG1 3.22Å; Q118-T120 PolarHBondContact O-N 2.83Å; T120-R182 VanDerWaalsContact CA-CZ 3.44Å; T120-R182 VanDerWaalsContact CA-NH1 3.29Å; T120-R182 PolarHBondContact OG1-NH1 3.19Å; T120-R182 PolarHBondContact OG1-NH2 2.61Å
121P98.3Very high96.8Very high0 Ų033.1 Ų33.10%017%0.173CC..  trans-61.5139.5179.3-23.837.1000111.9D87 I89 T154 L175 M178 I179 R182D87-P121 VanDerWaalsContact O-CD 3.25Å; D87-P121 WeakPolarHBondContact O-CD 3.4Å; I89-P121 PolarHBondContact N-O 2.92Å; P121-T154 WeakPolarHBondContact CA-O 3.47Å; P121-L175 HydrophobicContact CB-CD1 4.13Å; P121-M178 HydrophobicContact CB-CB 3.64Å; P121-M178 HydrophobicContact CB-CE 4.22Å; P121-M178 HydrophobicContact CB-SD 4.34Å; P121-M178 HydrophobicContact CG-CB 3.99Å; P121-I179 HydrophobicContact CB-CG1 4.49Å; P121-I179 HydrophobicContact CG-CG1 4.08Å; P121-R182 HydrophobicContact CG-CB 4.46Å
122L98.8Very high96.7Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-115.5115.1-178.2173.166.4000110.2I89 L108 T112 V124 L149 T153 T154 Y155 H156I89-L122 HydrophobicContact CB-CD1 4.25Å; I89-L122 HydrophobicContact CG2-CD1 3.92Å; I89-L122 WeakPolarHBondContact O-CA 3.24Å; L108-L122 HydrophobicContact CD1-CD1 3.81Å; L108-L122 HydrophobicContact CD1-CD2 3.77Å; L108-L122 HydrophobicContact CD1-CG 4.45Å; L108-L122 HydrophobicContact CD2-CD2 4.3Å; L108-L122 HydrophobicContact CG-CD2 4.45Å; T112-L122 HydrophobicContact CG2-CD2 4.31Å; L122-V124 HydrophobicContact CD1-CG2 4.38Å; L122-V124 HydrophobicContact CD2-CG2 4.06Å; L122-V124 HydrophobicContact CG-CG2 4.01Å; L122-L149 HydrophobicContact CD2-CD1 3.71Å; L122-T153 HydrophobicContact CB-CG2 4.33Å; L122-T154 PolarHBondContact N-O 3.21Å; L122-Y155 CarbonylContact O-C 3.56Å; L122-Y155 WeakPolarHBondContact O-CA 3.38Å; L122-Y155 WeakPolarHBondContact O-CB 3.44Å; L122-H156 PolarHBondContact O-N 3.15Å
123L98.9Very high96.6Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-96.2117.8165.1175.967.4000108.7I89 I90 Y91 I125 H156 Q158 G171 L175I89-L123 PolarHBondContact O-N 3.13Å; I90-L123 CarbonylContact C-O 3.55Å; I90-L123 VanDerWaalsContact CA-O 3.31Å; I90-L123 WeakPolarHBondContact CA-O 3.27Å; I90-L123 HydrophobicContact CD1-CD2 4.29Å; I90-L123 HydrophobicContact CG1-CB 4.35Å; I90-L123 HydrophobicContact CG1-CD2 4.14Å; Y91-L123 PolarHBondContact N-O 2.89Å; L123-I125 HydrophobicContact CD1-CD1 4.36Å; L123-I125 HydrophobicContact CD2-CD1 3.64Å; L123-I125 HydrophobicContact CD2-CG1 4.25Å; L123-I125 HydrophobicContact CG-CD1 3.9Å; L123-I125 HydrophobicContact CG-CG1 4.32Å; L123-H156 HydrophobicContact CD1-CB 4.34Å; L123-Q158 HydrophobicContact CD1-CB 4.04Å; L123-G171 VanDerWaalsContact CD2-O 3.27Å; L123-G171 WeakPolarHBondContact CD2-O 3.5Å; L123-L175 HydrophobicContact CB-CB 4.17Å; L123-L175 HydrophobicContact CB-CD1 4.12Å; L123-L175 HydrophobicContact CB-CD2 4.34Å; L123-L175 HydrophobicContact CB-CG 4.45Å; L123-L175 HydrophobicContact CD2-CB 4.11Å; L123-L175 HydrophobicContact CD2-CD2 4.37Å
124V98.9Very high96.7Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-92.3119.9169.3-178.60000108.3Y91 V93 L122 L144 L146 H156 V157 Q158Y91-V124 CarbonylContact O-C 3.57Å; Y91-V124 VanDerWaalsContact O-CA 3.3Å; Y91-V124 WeakPolarHBondContact O-CA 3.49Å; V93-V124 HydrophobicContact CG2-CG1 3.95Å; L122-V124 HydrophobicContact CD1-CG2 4.38Å; L122-V124 HydrophobicContact CD2-CG2 4.06Å; L122-V124 HydrophobicContact CG-CG2 4.01Å; V124-L144 HydrophobicContact CG1-CD1 3.91Å; V124-L146 HydrophobicContact CG2-CD1 3.97Å; V124-L146 HydrophobicContact CG2-CD2 4.39Å; V124-H156 PolarHBondContact N-O 3.22Å; V124-V157 HydrophobicContact CB-CB 4.43Å; V124-V157 HydrophobicContact CB-CG1 4.07Å; V124-V157 HydrophobicContact CB-CG2 4.23Å; V124-V157 HydrophobicContact CG1-CG1 4.02Å; V124-V157 CarbonylContact O-C 3.49Å; V124-V157 WeakPolarHBondContact O-CA 3.22Å; V124-Q158 PolarHBondContact O-N 3.22Å
125I98.9Very high96.8Very high3 Ų342.7 Ų42.72%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-93.9107.8171.2-60-66.4000107.7I90 Y91 V92 V93 L123 N127 Q158 A160 L168I90-I125 HydrophobicContact CG2-CG1 3.7Å; Y91-I125 PolarHBondContact O-N 3.32Å; V92-I125 HydrophobicContact CG1-CB 4.42Å; V92-I125 HydrophobicContact CG1-CG2 4.46Å; V92-I125 HydrophobicContact CG2-CB 4.33Å; V93-I125 PolarHBondContact N-O 3.4Å; L123-I125 HydrophobicContact CD1-CD1 4.36Å; L123-I125 HydrophobicContact CD2-CD1 3.64Å; L123-I125 HydrophobicContact CD2-CG1 4.25Å; L123-I125 HydrophobicContact CG-CD1 3.9Å; L123-I125 HydrophobicContact CG-CG1 4.32Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 HydrophobicContact CG2-CB 4.07Å; I125-N127 PolarHBondContact O-N 2.92Å; I125-N127 VanDerWaalsContact O-N 3.1Å; I125-Q158 HydrophobicContact CD1-CB 4.11Å; I125-Q158 HydrophobicContact CD1-CG 4.37Å; I125-A160 HydrophobicContact CG2-CB 3.61Å; I125-L168 HydrophobicContact CG2-CD2 4.45Å
126A98.8Very high97.1Very high0 Ų042.2 Ų42.20%021%0.214CC..EExtended strand (participates in β ladder)trans-77.186.6168.200000108.2Q129 I140 V157 Q158 A160A126-Q129 VanDerWaalsContact O-CG 3.27Å; A126-Q129 WeakPolarHBondContact O-CG 3.45Å; A126-I140 HydrophobicContact CB-CD1 3.43Å; A126-I140 VanDerWaalsContact CB-CD1 3.43Å; A126-V157 HydrophobicContact CB-CG1 4.25Å; A126-Q158 PolarHBondContact N-O 2.99Å; A126-A160 PolarHBondContact O-N 2.98Å
127N98.8Very high97.4Very high5 Ų540.8 Ų40.83%0.02721%0.209CC..EExtended strand (participates in β ladder)trans-86.4164.8-170.7-167.228.9000112.1A24 V92 V93 S95 I125 A160 A162A24-N127 PolarHBondContact O-ND2 2.99Å; V92-N127 HydrophobicContact CG1-CB 3.84Å; V93-N127 WeakPolarHBondContact O-CB 3.24Å; V93-N127 PolarHBondContact O-N 2.62Å; S95-N127 WeakPolarHBondContact CB-O 3.28Å; S95-N127 PolarHBondContact N-O 3.34Å; S95-N127 PolarHBondContact OG-N 3.04Å; S95-N127 PolarHBondContact OG-O 3.01Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 HydrophobicContact CG2-CB 4.07Å; I125-N127 PolarHBondContact O-N 2.92Å; I125-N127 VanDerWaalsContact O-N 3.1Å; N127-A160 CarbonylContact C-O 3.6Å; N127-A160 WeakPolarHBondContact CA-O 3.4Å; N127-A162 WeakPolarHBondContact OD1-CB 3.47Å; N127-A162 PolarHBondContact OD1-N 3.26Å
128K98.6Very high97.5Very high49 Ų4943.8 Ų43.821%0.21324%0.235CC..  trans67.335.3179-44-168.9-168.4176.10113.8S23 D94 D130 L131 A160S23-K128 VanDerWaalsContact O-CE 3.27Å; S23-K128 WeakPolarHBondContact O-CE 3.37Å; S23-K128 PolarHBondContact O-NZ 3.37Å; D94-K128 WeakPolarHBondContact OD1-CD 3.41Å; D94-K128 IonicContact OD1-NZ 3.22Å; D94-K128 VanDerWaalsContact OD2-CE 3.27Å; D94-K128 WeakPolarHBondContact OD2-CE 3.36Å; D94-K128 IonicContact OD2-NZ 3.52Å; D94-K128 PolarHBondContact OD2-NZ 3.17Å; K128-D130 VanDerWaalsContact C-OD1 3.24Å; K128-D130 VanDerWaalsContact CA-OD1 3.25Å; K128-D130 WeakPolarHBondContact CA-OD1 3.36Å; K128-D130 PolarHBondContact O-N 2.89Å; K128-L131 HydrophobicContact CB-CD1 3.94Å; K128-L131 HydrophobicContact CB-CG 4.26Å; K128-L131 HydrophobicContact CD-CD1 4Å; K128-L131 PolarHBondContact O-N 3.49Å; K128-A160 PolarHBondContact N-O 3.14Å; K128-A160 VanDerWaalsContact N-O 3.14Å
129Q98.6Very high97.8Very high54 Ų5443 Ų4325%0.25223%0.233SC..THydrogen-bonded Turntrans-68.2-14.2178.1-70.2-73.6-38.700113.2S95 A126 L131 S134 L135 P159 A160S95-Q129 VanDerWaalsContact CB-NE2 3.31Å; S95-Q129 PolarHBondContact OG-NE2 3.06Å; A126-Q129 VanDerWaalsContact O-CG 3.27Å; A126-Q129 WeakPolarHBondContact O-CG 3.45Å; Q129-L131 VanDerWaalsContact C-N 3.29Å; Q129-L131 PolarHBondContact O-N 3.48Å; Q129-S134 PolarHBondContact O-OG 3.06Å; Q129-L135 PolarHBondContact NE2-O 3.32Å; Q129-P159 HydrophobicContact CG-CB 4.01Å; Q129-A160 PolarHBondContact N-O 3Å
130D97.8Very high98.1Very high75 Ų7542.5 Ų42.540%0.40123%0.228SC..THydrogen-bonded Turntrans-69.3-22.9172.159.7-60.8000113.9K128 C161 I163K128-D130 VanDerWaalsContact C-OD1 3.24Å; K128-D130 VanDerWaalsContact CA-OD1 3.25Å; K128-D130 WeakPolarHBondContact CA-OD1 3.36Å; K128-D130 PolarHBondContact O-N 2.89Å; D130-C161 HydrophobicContact CB-CB 4.39Å; D130-C161 VanDerWaalsContact CB-SG 3.59Å; D130-C161 PolarHBondContact OD1-SG 2.87Å; D130-I163 WeakPolarHBondContact OD2-CD1 3.48Å
131L97.8Very high98.1Very high69 Ų6945.6 Ų45.636%0.36124%0.242SC..SBendtrans-82.7146.3-174.7-64.9-176.9000112.1V96 K128 Q129 S134V96-L131 HydrophobicContact CG2-CB 3.64Å; V96-L131 HydrophobicContact CG2-CD1 3.93Å; V96-L131 HydrophobicContact CG2-CG 4.4Å; K128-L131 HydrophobicContact CB-CD1 3.94Å; K128-L131 HydrophobicContact CB-CG 4.26Å; K128-L131 HydrophobicContact CD-CD1 4Å; K128-L131 PolarHBondContact O-N 3.49Å; Q129-L131 VanDerWaalsContact C-N 3.29Å; Q129-L131 PolarHBondContact O-N 3.48Å; L131-S134 WeakPolarHBondContact O-CB 3.15Å; L131-S134 PolarHBondContact O-N 2.79Å; L131-S134 PolarHBondContact O-OG 3.45Å; L131-S134 VanDerWaalsContact O-OG 3.11Å
132P95.6Very high98.1Very high104 Ų10453.1 Ų53.168%0.67528%0.275SS*.THydrogen-bonded Turntrans-61.8143.7172.728-34.6000110S134P132-S134 PolarHBondContact O-N 2.79Å
133R94.9Very high98.1Very high229 Ų22956.4 Ų56.486%0.86429%0.29SS*.THydrogen-bonded Turntrans68.713.2-177.3-45.5175.4179.5178.4-0.9114.7L135R133-L135 PolarHBondContact O-N 3.17Å
134S97.8Very high98.1Very high31 Ų3156.4 Ų56.422%0.21729%0.29CS..PPolyproline II helixtrans-55.6132.3165.758.50000109.7Q129 L131 P132Q129-S134 PolarHBondContact O-OG 3.06Å; L131-S134 WeakPolarHBondContact O-CB 3.15Å; L131-S134 PolarHBondContact O-N 2.79Å; L131-S134 PolarHBondContact O-OG 3.45Å; L131-S134 VanDerWaalsContact O-OG 3.11Å; P132-S134 PolarHBondContact O-N 2.79Å
135L98.3Very high98.1Very high27 Ų2756.6 Ų56.614%0.14129%0.292CS..PPolyproline II helixtrans-71.8139.2178.9-73.7172.6000110.6S95 V98 L101 Q129 R133 D139 I140S95-L135 WeakPolarHBondContact O-CB 3.37Å; S95-L135 WeakPolarHBondContact O-CG 3.25Å; S95-L135 PolarHBondContact O-N 3.45Å; V98-L135 HydrophobicContact CG1-CD1 4.49Å; V98-L135 HydrophobicContact CG2-CD1 3.78Å; V98-L135 HydrophobicContact CG2-CD2 4.45Å; V98-L135 HydrophobicContact CG2-CG 4.12Å; L101-L135 HydrophobicContact CD1-CD1 3.38Å; Q129-L135 PolarHBondContact NE2-O 3.32Å; R133-L135 PolarHBondContact O-N 3.17Å; L135-D139 HydrophobicContact CD2-CB 4.45Å; L135-I140 HydrophobicContact CB-CD1 4.17Å; L135-I140 HydrophobicContact CB-CG1 3.84Å; L135-I140 HydrophobicContact CD1-CG1 4.46Å
136P98.1Very high98.1Very high70 Ų7056.5 Ų56.546%0.45529%0.292SS..PPolyproline II helixtrans-55.7148.5167.1-23.132.6000111.6A138 D139 I140P136-A138 PolarHBondContact O-N 2.9Å; P136-D139 WeakPolarHBondContact CD-OD2 3.47Å; P136-D139 WeakPolarHBondContact O-CB 3.42Å; P136-D139 PolarHBondContact O-N 2.89Å; P136-I140 PolarHBondContact O-N 2.96Å; P136-I140 VanDerWaalsContact O-N 3.14Å
137V97.9Very high98Very high38 Ų3862.8 Ų62.823%0.2332%0.321CS..Hα-helixtrans-52.9-41.3179.21760000112.3D139 I140 E141 V157 P159V137-D139 VanDerWaalsContact C-N 3.3Å; V137-D139 PolarHBondContact O-N 3.1Å; V137-I140 PolarHBondContact O-N 3.3Å; V137-E141 WeakPolarHBondContact O-CB 3.36Å; V137-E141 PolarHBondContact O-N 2.84Å; V137-V157 HydrophobicContact CG1-CB 3.63Å; V137-V157 HydrophobicContact CG1-CG1 3.57Å; V137-P159 HydrophobicContact CG2-CB 3.55Å; V137-P159 HydrophobicContact CG2-CG 3.76Å
138A98.3Very high98Very high66 Ų6668.5 Ų68.555%0.54535%0.347SS..Hα-helixtrans-63.1-35178.900000112.7P136 K142P136-A138 PolarHBondContact O-N 2.9Å; A138-K142 WeakPolarHBondContact O-CB 3.48Å; A138-K142 PolarHBondContact O-N 3.36Å
139D98.4Very high97.9Very high68 Ų6867 Ų6736%0.36434%0.341SS..Hα-helixtrans-74-37.7177.9-69.2-30000111.1L135 P136 V137 K142 Q143L135-D139 HydrophobicContact CD2-CB 4.45Å; P136-D139 WeakPolarHBondContact CD-OD2 3.47Å; P136-D139 WeakPolarHBondContact O-CB 3.42Å; P136-D139 PolarHBondContact O-N 2.89Å; V137-D139 VanDerWaalsContact C-N 3.3Å; V137-D139 PolarHBondContact O-N 3.1Å; D139-K142 PolarHBondContact O-N 2.83Å; D139-Q143 WeakPolarHBondContact O-CB 3.18Å; D139-Q143 VanDerWaalsContact O-CG 3.28Å; D139-Q143 WeakPolarHBondContact O-CG 3.41Å; D139-Q143 PolarHBondContact O-N 2.84Å
140I98.6Very high97.8Very high0 Ų066.1 Ų66.10%034%0.344CS..Hα-helixtrans-63.7-47.1173.3-66.4168.6000110.3V93 S95 A126 L135 P136 V137 K142 Q143 L144V93-I140 HydrophobicContact CG1-CG2 4.29Å; S95-I140 WeakPolarHBondContact OG-CD1 3.37Å; A126-I140 HydrophobicContact CB-CD1 3.43Å; A126-I140 VanDerWaalsContact CB-CD1 3.43Å; L135-I140 HydrophobicContact CB-CD1 4.17Å; L135-I140 HydrophobicContact CB-CG1 3.84Å; L135-I140 HydrophobicContact CD1-CG1 4.46Å; P136-I140 PolarHBondContact O-N 2.96Å; P136-I140 VanDerWaalsContact O-N 3.14Å; V137-I140 PolarHBondContact O-N 3.3Å; I140-K142 VanDerWaalsContact C-N 3.3Å; I140-K142 PolarHBondContact O-N 2.95Å; I140-Q143 PolarHBondContact O-N 2.95Å; I140-L144 HydrophobicContact CG2-CD1 3.62Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CB 3.25Å; I140-L144 VanDerWaalsContact O-CG 3.24Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å; I140-L144 PolarHBondContact O-N 3.22Å
141E98.6Very high97.6Very high69 Ų6969.4 Ų69.432%0.32237%0.369SS..Hα-helixtrans-56.6-44.4176.7178.1170.5-178.500112.1V137 A145 L146 Y155 V157V137-E141 WeakPolarHBondContact O-CB 3.36Å; V137-E141 PolarHBondContact O-N 2.84Å; E141-A145 PolarHBondContact O-N 2.85Å; E141-L146 HydrophobicContact CB-CD1 4.39Å; E141-L146 HydrophobicContact CG-CB 4.25Å; E141-L146 HydrophobicContact CG-CD1 4.12Å; E141-L146 HydrophobicContact CG-CG 4.38Å; E141-L146 PolarHBondContact O-N 3.4Å; E141-Y155 HydrophobicContact CG-CE2 4.44Å; E141-Y155 PolarHBondContact OE1-OH 3.27Å; E141-V157 HydrophobicContact CB-CG2 4.12Å; E141-V157 HydrophobicContact CG-CG2 4.36Å
142K98.5Very high97.4Very high159 Ų15969 Ų6969%0.69137%0.372SS*.Hα-helixtrans-65-49.2176.5-176.7-178.2176.9-175.20111.9A138 D139 I140 L144 A145A138-K142 WeakPolarHBondContact O-CB 3.48Å; A138-K142 PolarHBondContact O-N 3.36Å; D139-K142 PolarHBondContact O-N 2.83Å; I140-K142 VanDerWaalsContact C-N 3.3Å; I140-K142 PolarHBondContact O-N 2.95Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 3.27Å; K142-A145 WeakPolarHBondContact O-CA 3.43Å; K142-A145 PolarHBondContact O-N 3.49Å
143Q98.4Very high97.4Very high68 Ų6864.5 Ų64.532%0.31834%0.342SS..Hα-helixtrans-66.7-35.1-177.5-75-171.662.300112.5L101 K105 D139 I140 A145L101-Q143 HydrophobicContact CD1-CB 4.23Å; K105-Q143 WeakPolarHBondContact CD-O 3.32Å; D139-Q143 WeakPolarHBondContact O-CB 3.18Å; D139-Q143 VanDerWaalsContact O-CG 3.28Å; D139-Q143 WeakPolarHBondContact O-CG 3.41Å; D139-Q143 PolarHBondContact O-N 2.84Å; I140-Q143 PolarHBondContact O-N 2.95Å; Q143-A145 PolarHBondContact O-N 2.84Å
144L98.8Very high97.6Very high0 Ų056.2 Ų56.20%032%0.318CS..THydrogen-bonded Turntrans-76.1-3.4172.8-62.7176.2000113.4V93 L101 A104 K105 L108 H109 V124 I140 K142 L146V93-L144 HydrophobicContact CG2-CD1 4Å; L101-L144 HydrophobicContact CD2-CD2 4.29Å; A104-L144 HydrophobicContact CB-CD2 4.18Å; K105-L144 HydrophobicContact CB-CD2 4.07Å; L108-L144 HydrophobicContact CD2-CB 4.38Å; L108-L144 HydrophobicContact CD2-CD1 4.35Å; H109-L144 PolarHBondContact NE2-O 3.48Å; V124-L144 HydrophobicContact CG1-CD1 3.91Å; I140-L144 HydrophobicContact CG2-CD1 3.62Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CB 3.25Å; I140-L144 VanDerWaalsContact O-CG 3.24Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å; I140-L144 PolarHBondContact O-N 3.22Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 3.27Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 HydrophobicContact CB-CD2 3.62Å; L144-L146 HydrophobicContact CB-CG 3.91Å; L144-L146 HydrophobicContact CD1-CD2 4.28Å; L144-L146 PolarHBondContact O-N 3.44Å
145A98.5Very high97.6Very high5 Ų558.1 Ų58.14%0.04132%0.321CS..THydrogen-bonded Turntrans48.945.7-177.400000112.5H109 E141 K142 Q143 H147 E148H109-A145 PolarHBondContact NE2-O 2.88Å; E141-A145 PolarHBondContact O-N 2.85Å; K142-A145 WeakPolarHBondContact O-CA 3.43Å; K142-A145 PolarHBondContact O-N 3.49Å; Q143-A145 PolarHBondContact O-N 2.84Å; A145-H147 PolarHBondContact O-N 3.36Å; A145-E148 HydrophobicContact CB-CB 4.47Å; A145-E148 HydrophobicContact CB-CG 4.12Å; A145-E148 WeakPolarHBondContact O-CB 3.33Å; A145-E148 PolarHBondContact O-N 3.4Å
146L98.4Very high97.6Very high1 Ų159.3 Ų59.31%0.00533%0.325CS..G310 helixtrans-64.4-26.1-174.5-58.5-173.5000112.7L108 V124 E141 L144 E148 L149 Y155 V157L108-L146 HydrophobicContact CD2-CD2 3.47Å; L108-L146 VanDerWaalsContact CD2-CD2 3.47Å; V124-L146 HydrophobicContact CG2-CD1 3.97Å; V124-L146 HydrophobicContact CG2-CD2 4.39Å; E141-L146 HydrophobicContact CB-CD1 4.39Å; E141-L146 HydrophobicContact CG-CB 4.25Å; E141-L146 HydrophobicContact CG-CD1 4.12Å; E141-L146 HydrophobicContact CG-CG 4.38Å; E141-L146 PolarHBondContact O-N 3.4Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 HydrophobicContact CB-CD2 3.62Å; L144-L146 HydrophobicContact CB-CG 3.91Å; L144-L146 HydrophobicContact CD1-CD2 4.28Å; L144-L146 PolarHBondContact O-N 3.44Å; L146-E148 PolarHBondContact O-N 2.86Å; L146-L149 HydrophobicContact CB-CD1 4.35Å; L146-L149 HydrophobicContact CD2-CD1 4.03Å; L146-L149 VanDerWaalsContact O-CB 3.31Å; L146-L149 WeakPolarHBondContact O-CB 3.44Å; L146-L149 VanDerWaalsContact O-CG 3.27Å; L146-L149 WeakPolarHBondContact O-CG 3.46Å; L146-L149 PolarHBondContact O-N 3.12Å; L146-L149 VanDerWaalsContact O-N 3.15Å; L146-Y155 HydrophobicContact CB-CD1 4.33Å; L146-Y155 HydrophobicContact CB-CD2 4.02Å; L146-Y155 HydrophobicContact CB-CE1 3.95Å; L146-Y155 HydrophobicContact CB-CE2 3.62Å; L146-Y155 HydrophobicContact CB-CG 4.35Å; L146-Y155 HydrophobicContact CD1-CD2 3.72Å; L146-Y155 HydrophobicContact CD1-CE2 3.87Å; L146-Y155 HydrophobicContact CD1-CG 4.42Å; L146-Y155 HydrophobicContact CG-CD2 4.49Å; L146-Y155 HydrophobicContact CG-CE2 4.41Å; L146-Y155 WeakPolarHBondContact O-CE1 3.49Å; L146-V157 HydrophobicContact CD1-CG2 3.34Å
147H97.3Very high97.7Very high131 Ų13156.5 Ų56.561%0.60631%0.307SS*.G310 helixtrans-64.5-18.7173.668.7-80.9000113.8A145A145-H147 PolarHBondContact O-N 3.36Å
148E97.8Very high97.7Very high126 Ų12655.8 Ų55.859%0.58930%0.301SS*.G310 helixtrans-89.4-3.2176.5-59.3-179.1-179.600113A145 L146A145-E148 HydrophobicContact CB-CB 4.47Å; A145-E148 HydrophobicContact CB-CG 4.12Å; A145-E148 WeakPolarHBondContact O-CB 3.33Å; A145-E148 PolarHBondContact O-N 3.4Å; L146-E148 PolarHBondContact O-N 2.86Å
149L97.4Very high97.7Very high16 Ų1655 Ų558%0.08429%0.29CS..SBendtrans-63.5156.1175.1-64.4178.5000110.9T112 L122 L146 T153 Y155T112-L149 HydrophobicContact CG2-CD2 4.12Å; T112-L149 WeakPolarHBondContact OG1-CD2 3.35Å; L122-L149 HydrophobicContact CD2-CD1 3.71Å; L146-L149 HydrophobicContact CB-CD1 4.35Å; L146-L149 HydrophobicContact CD2-CD1 4.03Å; L146-L149 VanDerWaalsContact O-CB 3.31Å; L146-L149 WeakPolarHBondContact O-CB 3.44Å; L146-L149 VanDerWaalsContact O-CG 3.27Å; L146-L149 WeakPolarHBondContact O-CG 3.46Å; L146-L149 PolarHBondContact O-N 3.12Å; L146-L149 VanDerWaalsContact O-N 3.15Å; L149-T153 HydrophobicContact CD1-CG2 4.23Å; L149-Y155 HydrophobicContact CD1-CD1 4.07Å
150A96Very high97.7Very high37 Ų3751.9 Ų51.931%0.30627%0.274SS..  trans-54.6139.1177.700000110.6S152 T153A150-S152 PolarHBondContact O-N 3.21Å; A150-T153 WeakPolarHBondContact O-CB 3.31Å; A150-T153 PolarHBondContact O-N 3.34Å
151P94.1Very high97.7Very high143 Ų14352 Ų5293%0.92928%0.275SS*.THydrogen-bonded Turntrans-57.9-20.2-178.9-27.634.8000114.8
152S93.5Very high97.7Very high62 Ų6248.8 Ų48.843%0.43426%0.26SS..THydrogen-bonded Turntrans-75.7-23.4174.654.90000113.3G119 A150 T154G119-S152 VanDerWaalsContact CA-O 3.3Å; G119-S152 WeakPolarHBondContact CA-O 3.34Å; A150-S152 PolarHBondContact O-N 3.21Å; S152-T154 PolarHBondContact O-N 2.9Å
153T95.9Very high97.6Very high8 Ų845 Ų455%0.04925%0.246CC..  trans-85.693.9-178.3-58.20000109.7T112 L122 L149 A150T112-T153 HydrophobicContact CG2-CG2 4.32Å; L122-T153 HydrophobicContact CB-CG2 4.33Å; L149-T153 HydrophobicContact CD1-CG2 4.23Å; A150-T153 WeakPolarHBondContact O-CB 3.31Å; A150-T153 PolarHBondContact O-N 3.34Å
154T97.8Very high97.6Very high56 Ų5646 Ų4634%0.34425%0.253SS..  trans-71134.217157.10000109.9P121 L122 S152P121-T154 WeakPolarHBondContact CA-O 3.47Å; L122-T154 PolarHBondContact N-O 3.21Å; S152-T154 PolarHBondContact O-N 2.9Å
155Y98.7Very high97.5Very high71 Ų7146.9 Ų46.928%0.27826%0.262SS..EExtended strand (participates in β ladder)trans-131.2161.4176.267.7-92.7000113.3L122 E141 L146 L149 V157L122-Y155 CarbonylContact O-C 3.56Å; L122-Y155 WeakPolarHBondContact O-CA 3.38Å; L122-Y155 WeakPolarHBondContact O-CB 3.44Å; E141-Y155 HydrophobicContact CG-CE2 4.44Å; E141-Y155 PolarHBondContact OE1-OH 3.27Å; L146-Y155 HydrophobicContact CB-CD1 4.33Å; L146-Y155 HydrophobicContact CB-CD2 4.02Å; L146-Y155 HydrophobicContact CB-CE1 3.95Å; L146-Y155 HydrophobicContact CB-CE2 3.62Å; L146-Y155 HydrophobicContact CB-CG 4.35Å; L146-Y155 HydrophobicContact CD1-CD2 3.72Å; L146-Y155 HydrophobicContact CD1-CE2 3.87Å; L146-Y155 HydrophobicContact CD1-CG 4.42Å; L146-Y155 HydrophobicContact CG-CD2 4.49Å; L146-Y155 HydrophobicContact CG-CE2 4.41Å; L146-Y155 WeakPolarHBondContact O-CE1 3.49Å; L149-Y155 HydrophobicContact CD1-CD1 4.07Å; Y155-V157 HydrophobicContact CD2-CG2 4.39Å
156H98.8Very high97.5Very high52 Ų5252.9 Ų52.924%0.24129%0.289CS..EExtended strand (participates in β ladder)trans-141.5140.7168.2178.173.3000108.9L122 L123 V124 Q158 K174 M178L122-H156 PolarHBondContact O-N 3.15Å; L123-H156 HydrophobicContact CD1-CB 4.34Å; V124-H156 PolarHBondContact N-O 3.22Å; H156-Q158 PolarHBondContact NE2-OE1 3.42Å; H156-Q158 VanDerWaalsContact NE2-OE1 3.1Å; H156-K174 HydrophobicContact CB-CB 4.23Å; H156-M178 HydrophobicContact CB-CE 3.99Å
157V98.9Very high97.5Very high10 Ų1053.2 Ų53.26%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-108.4122.6173.8-163.60000108.9V124 A126 V137 E141 L146 Y155V124-V157 HydrophobicContact CB-CB 4.43Å; V124-V157 HydrophobicContact CB-CG1 4.07Å; V124-V157 HydrophobicContact CB-CG2 4.23Å; V124-V157 HydrophobicContact CG1-CG1 4.02Å; V124-V157 CarbonylContact O-C 3.49Å; V124-V157 WeakPolarHBondContact O-CA 3.22Å; A126-V157 HydrophobicContact CB-CG1 4.25Å; V137-V157 HydrophobicContact CG1-CB 3.63Å; V137-V157 HydrophobicContact CG1-CG1 3.57Å; E141-V157 HydrophobicContact CB-CG2 4.12Å; E141-V157 HydrophobicContact CG-CG2 4.36Å; L146-V157 HydrophobicContact CD1-CG2 3.34Å; Y155-V157 HydrophobicContact CD2-CG2 4.39Å
158Q98.8Very high97.5Very high23 Ų2347.3 Ų47.311%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-116.1119.5-176.2-179.461.744.700110L123 V124 I125 A126 H156 G167L123-Q158 HydrophobicContact CD1-CB 4.04Å; V124-Q158 PolarHBondContact O-N 3.22Å; I125-Q158 HydrophobicContact CD1-CB 4.11Å; I125-Q158 HydrophobicContact CD1-CG 4.37Å; A126-Q158 PolarHBondContact N-O 2.99Å; H156-Q158 PolarHBondContact NE2-OE1 3.42Å; H156-Q158 VanDerWaalsContact NE2-OE1 3.1Å; Q158-G167 WeakPolarHBondContact CG-O 3.48Å
159P98.8Very high97.5Very high51 Ų5143.6 Ų43.633%0.33125%0.25SC..EExtended strand (participates in β ladder)trans-65.2137.4167.826.7-30.4000109.3Q129 V137 G167Q129-P159 HydrophobicContact CG-CB 4.01Å; V137-P159 HydrophobicContact CG2-CB 3.55Å; V137-P159 HydrophobicContact CG2-CG 3.76Å; P159-G167 WeakPolarHBondContact O-CA 3.36Å
160A98.7Very high97.5Very high2 Ų247.8 Ų47.82%0.01727%0.269CS..  trans-150.2157.9178.600000113.9I125 A126 N127 K128 Q129 E166 L168I125-A160 HydrophobicContact CG2-CB 3.61Å; A126-A160 PolarHBondContact O-N 2.98Å; N127-A160 CarbonylContact C-O 3.6Å; N127-A160 WeakPolarHBondContact CA-O 3.4Å; K128-A160 PolarHBondContact N-O 3.14Å; K128-A160 VanDerWaalsContact N-O 3.14Å; Q129-A160 PolarHBondContact N-O 3Å; A160-E166 WeakPolarHBondContact CA-O 3.26Å; A160-E166 WeakPolarHBondContact CB-O 3.45Å; A160-L168 HydrophobicContact CB-CD2 3.76Å
161C98.5Very high97.6Very high2 Ų246 Ų461%0.01425%0.254CS..BIsolated β-bridgetrans-12698.4166.9-179.80000109.8D130 I163 I164 G165 E166D130-C161 HydrophobicContact CB-CB 4.39Å; D130-C161 VanDerWaalsContact CB-SG 3.59Å; D130-C161 PolarHBondContact OD1-SG 2.87Å; C161-I163 PolarHBondContact O-N 3.24Å; C161-I163 VanDerWaalsContact O-N 3.16Å; C161-I163 WeakPolarHBondContact SG-CG1 3.37Å; C161-I164 HydrophobicContact CB-CD1 4.06Å; C161-I164 HydrophobicContact CB-CG1 3.79Å; C161-I164 PolarHBondContact O-N 3.45Å; C161-G165 PolarHBondContact O-N 3.28Å; C161-E166 HydrophobicContact CB-CB 4.39Å; C161-E166 PolarHBondContact N-O 2.87Å
162A97.9Very high97.8Very high2 Ų239.6 Ų39.62%0.01721%0.212CC..THydrogen-bonded Turntrans-61.4-26.1-176.400000114T28 V29 R32 N127 I164T28-A162 HydrophobicContact CG2-CB 3.78Å; V29-A162 HydrophobicContact CG2-CB 3.69Å; R32-A162 PolarHBondContact NE-O 2.8Å; N127-A162 WeakPolarHBondContact OD1-CB 3.47Å; N127-A162 PolarHBondContact OD1-N 3.26Å; A162-I164 VanDerWaalsContact C-N 3.27Å; A162-I164 PolarHBondContact O-N 3.22Å
163I97.5Very high98Very high79 Ų7938 Ų3841%0.40520%0.199SC..THydrogen-bonded Turntrans-77.8-8.2-178.865.5158.1000114T28 R32 F38 D130 C161T28-I163 HydrophobicContact CG2-CG2 4.29Å; R32-I163 PolarHBondContact NH2-O 2.86Å; F38-I163 HydrophobicContact CD2-CB 4.05Å; F38-I163 HydrophobicContact CD2-CG2 3.88Å; F38-I163 HydrophobicContact CE2-CB 4.35Å; F38-I163 HydrophobicContact CE2-CG2 3.7Å; D130-I163 WeakPolarHBondContact OD2-CD1 3.48Å; C161-I163 PolarHBondContact O-N 3.24Å; C161-I163 VanDerWaalsContact O-N 3.16Å; C161-I163 WeakPolarHBondContact SG-CG1 3.37Å
164I96.9Very high98.1Very high90 Ų9041.7 Ų41.746%0.46221%0.214SC..THydrogen-bonded Turntrans-131-13.317263.8-175.1000113.2C161 A162 E166C161-I164 HydrophobicContact CB-CD1 4.06Å; C161-I164 HydrophobicContact CB-CG1 3.79Å; C161-I164 PolarHBondContact O-N 3.45Å; A162-I164 VanDerWaalsContact C-N 3.27Å; A162-I164 PolarHBondContact O-N 3.22Å; I164-E166 HydrophobicContact CD1-CB 4.31Å; I164-E166 HydrophobicContact CD1-CG 3.75Å; I164-E166 HydrophobicContact CG1-CB 4.18Å; I164-E166 HydrophobicContact CG1-CG 3.89Å
165G97.1Very high98.2Very high17 Ų1739.1 Ų39.118%0.17520%0.198CC..THydrogen-bonded Turntrans92.7-2.8176.600000115.7C161 G167 L168C161-G165 PolarHBondContact O-N 3.28Å; G165-G167 PolarHBondContact O-N 3.26Å; G165-L168 PolarHBondContact O-N 3.18Å
166E98Very high98.1Very high131 Ų13137.9 Ų37.961%0.61219%0.193SC*.BIsolated β-bridgetrans-56.6134.7177.1-75.6-178.9-179.700111.8A160 C161 I164 L168A160-E166 WeakPolarHBondContact CA-O 3.26Å; A160-E166 WeakPolarHBondContact CB-O 3.45Å; C161-E166 HydrophobicContact CB-CB 4.39Å; C161-E166 PolarHBondContact N-O 2.87Å; I164-E166 HydrophobicContact CD1-CB 4.31Å; I164-E166 HydrophobicContact CD1-CG 3.75Å; I164-E166 HydrophobicContact CG1-CB 4.18Å; I164-E166 HydrophobicContact CG1-CG 3.89Å; E166-L168 PolarHBondContact O-N 3.23Å
167G98.1Very high98Very high9 Ų940.6 Ų40.69%0.09321%0.206CC..THydrogen-bonded Turntrans80.1-10.617700000115.3Q158 P159 G165 E170 G171Q158-G167 WeakPolarHBondContact CG-O 3.48Å; P159-G167 WeakPolarHBondContact O-CA 3.36Å; G165-G167 PolarHBondContact O-N 3.26Å; G167-E170 WeakPolarHBondContact CA-OE2 3.48Å; G167-E170 PolarHBondContact N-OE2 3.42Å; G167-G171 PolarHBondContact O-N 3.39Å
168L98Very high97.9Very high6 Ų641.3 Ų41.33%0.03121%0.209CC..Hα-helixtrans-73.5-41.8-174.5-62.9-172.7000112.6V29 R32 L33 I125 A160 G165 E166 G171 M172V29-L168 HydrophobicContact CG1-CD1 4.3Å; V29-L168 HydrophobicContact CG1-CD2 3.93Å; V29-L168 HydrophobicContact CG2-CD2 4.19Å; R32-L168 HydrophobicContact CB-CD1 3.78Å; R32-L168 HydrophobicContact CG-CD1 3.39Å; L33-L168 HydrophobicContact CD2-CB 4.03Å; L33-L168 HydrophobicContact CG-CD1 4.38Å; I125-L168 HydrophobicContact CG2-CD2 4.45Å; A160-L168 HydrophobicContact CB-CD2 3.76Å; G165-L168 PolarHBondContact O-N 3.18Å; E166-L168 PolarHBondContact O-N 3.23Å; L168-G171 PolarHBondContact O-N 3.11Å; L168-M172 WeakPolarHBondContact O-CG 3.13Å; L168-M172 PolarHBondContact O-N 2.89Å
169D97.2Very high97.8Very high49 Ų4940.3 Ų40.326%0.26221%0.205SC..Hα-helixtrans-65.9-41.7178.6-74.3-33.9000111N56 G171 M172 D173N56-D169 HydrophobicContact CB-CB 4.32Å; N56-D169 VanDerWaalsContact CB-OD2 3.29Å; N56-D169 WeakPolarHBondContact CB-OD2 3.5Å; N56-D169 PolarHBondContact ND2-OD2 2.94Å; D169-G171 VanDerWaalsContact C-N 3.34Å; D169-G171 PolarHBondContact O-N 2.98Å; D169-M172 PolarHBondContact O-N 3.5Å; D169-D173 PolarHBondContact O-N 3.21Å
170E98.3Very high97.6Very high103 Ų10338.5 Ų38.548%0.48119%0.193SC..Hα-helixtrans-62.4-41.4175.2-62.684.1171.800111.6G167 D173 K174G167-E170 WeakPolarHBondContact CA-OE2 3.48Å; G167-E170 PolarHBondContact N-OE2 3.42Å; E170-D173 PolarHBondContact O-N 3.02Å; E170-K174 WeakPolarHBondContact O-CG 3.27Å; E170-K174 PolarHBondContact O-N 3.31Å
171G98.6Very high97.4Very high0 Ų045.4 Ų45.40%022%0.222CC..Hα-helixtrans-61.8-45.3174.200000112.1L123 G167 L168 D169 D173 K174 L175L123-G171 VanDerWaalsContact CD2-O 3.27Å; L123-G171 WeakPolarHBondContact CD2-O 3.5Å; G167-G171 PolarHBondContact O-N 3.39Å; L168-G171 PolarHBondContact O-N 3.11Å; D169-G171 VanDerWaalsContact C-N 3.34Å; D169-G171 PolarHBondContact O-N 2.98Å; G171-D173 VanDerWaalsContact C-N 3.34Å; G171-D173 PolarHBondContact O-N 3.42Å; G171-K174 PolarHBondContact O-N 3.25Å; G171-L175 PolarHBondContact O-N 3.45Å
172M98.2Very high97.2Very high8 Ų848.2 Ų48.24%0.03923%0.232CC..Hα-helixtrans-64.8-37.7177.7-71.6-52.5-54.100112.5L33 L54 F66 I90 L168 D169 L175 Y176L33-M172 HydrophobicContact CD1-CG 4.32Å; L33-M172 HydrophobicContact CD1-SD 4.22Å; L33-M172 HydrophobicContact CD2-CG 4.05Å; L54-M172 HydrophobicContact CD1-CB 4.28Å; L54-M172 HydrophobicContact CD1-CE 4.01Å; L54-M172 HydrophobicContact CD2-CE 4.38Å; L54-M172 HydrophobicContact CD2-CG 4.4Å; F66-M172 HydrophobicContact CE1-CE 4.26Å; F66-M172 HydrophobicContact CE1-SD 4.32Å; F66-M172 HydrophobicContact CZ-CE 3.72Å; F66-M172 HydrophobicContact CZ-SD 4.09Å; I90-M172 HydrophobicContact CD1-SD 3.74Å; L168-M172 WeakPolarHBondContact O-CG 3.13Å; L168-M172 PolarHBondContact O-N 2.89Å; D169-M172 PolarHBondContact O-N 3.5Å; M172-L175 HydrophobicContact CE-CD2 4.27Å; M172-L175 PolarHBondContact O-N 3.28Å; M172-L175 HydrophobicContact SD-CD2 4.47Å; M172-Y176 WeakPolarHBondContact O-CB 3.46Å; M172-Y176 PolarHBondContact O-N 2.94Å
173D97.6Very high96.9Very high30 Ų3050.1 Ų50.116%0.1624%0.239CC..Hα-helixtrans-60-45.7172.8-86.2-12.5000111.6G57 T58 A59 D169 E170 G171 Y176 E177G57-D173 WeakPolarHBondContact CA-OD2 3.27Å; T58-D173 WeakPolarHBondContact CA-OD1 3.42Å; T58-D173 VanDerWaalsContact N-CG 3.25Å; T58-D173 PolarHBondContact N-OD1 2.79Å; T58-D173 PolarHBondContact N-OD2 3.5Å; T58-D173 PolarHBondContact OG1-OD1 3.23Å; T58-D173 PolarHBondContact OG1-OD2 3.03Å; A59-D173 WeakPolarHBondContact CB-OD1 3.42Å; A59-D173 PolarHBondContact N-OD1 3.13Å; D169-D173 PolarHBondContact O-N 3.21Å; E170-D173 PolarHBondContact O-N 3.02Å; G171-D173 VanDerWaalsContact C-N 3.34Å; G171-D173 PolarHBondContact O-N 3.42Å; D173-Y176 PolarHBondContact O-N 2.8Å; D173-E177 WeakPolarHBondContact O-CB 3.46Å; D173-E177 PolarHBondContact O-N 2.88Å
174K98.5Very high96.7Very high85 Ų8550.9 Ų50.937%0.3724%0.24SC..Hα-helixtrans-65.3-41.7177-71.5-63.1-179.1-1710113.1H156 E170 G171 Y176 E177 M178H156-K174 HydrophobicContact CB-CB 4.23Å; E170-K174 WeakPolarHBondContact O-CG 3.27Å; E170-K174 PolarHBondContact O-N 3.31Å; G171-K174 PolarHBondContact O-N 3.25Å; K174-Y176 VanDerWaalsContact C-N 3.34Å; K174-Y176 PolarHBondContact O-N 3.33Å; K174-E177 IonicContact NZ-OE2 3.99Å; K174-E177 PolarHBondContact NZ-OE2 2.63Å; K174-E177 VanDerWaalsContact NZ-OE2 3.14Å; K174-E177 PolarHBondContact O-N 3.05Å; K174-M178 WeakPolarHBondContact O-CG 3.27Å; K174-M178 PolarHBondContact O-N 3.11Å; K174-M178 VanDerWaalsContact O-N 3.09Å
175L98.5Very high96.3Very high1 Ų149 Ų491%0.00523%0.234CC..Hα-helixtrans-61.5-45.5174.4-177.657.5000111.1I16 I90 P121 L123 G171 M172 E177 M178 I179I16-L175 HydrophobicContact CD1-CD2 4.13Å; I16-L175 HydrophobicContact CG2-CD2 4.13Å; I90-L175 HydrophobicContact CD1-CD2 4.01Å; I90-L175 HydrophobicContact CG1-CD2 3.68Å; P121-L175 HydrophobicContact CB-CD1 4.13Å; L123-L175 HydrophobicContact CB-CB 4.17Å; L123-L175 HydrophobicContact CB-CD1 4.12Å; L123-L175 HydrophobicContact CB-CD2 4.34Å; L123-L175 HydrophobicContact CB-CG 4.45Å; L123-L175 HydrophobicContact CD2-CB 4.11Å; L123-L175 HydrophobicContact CD2-CD2 4.37Å; G171-L175 PolarHBondContact O-N 3.45Å; M172-L175 HydrophobicContact CE-CD2 4.27Å; M172-L175 PolarHBondContact O-N 3.28Å; M172-L175 HydrophobicContact SD-CD2 4.47Å; L175-E177 PolarHBondContact O-N 2.85Å; L175-M178 HydrophobicContact CD1-CE 4.37Å; L175-M178 PolarHBondContact O-N 3.22Å; L175-I179 HydrophobicContact CD1-CD1 4.07Å; L175-I179 HydrophobicContact CD1-CG1 4.32Å; L175-I179 HydrophobicContact CG-CD1 3.84Å; L175-I179 HydrophobicContact CG-CG1 4.49Å; L175-I179 VanDerWaalsContact O-CG1 3.23Å; L175-I179 WeakPolarHBondContact O-CG1 3.39Å; L175-I179 PolarHBondContact O-N 3.49Å
176Y96.8Very high95.9Very high46 Ų4652.4 Ų52.418%0.1825%0.248CC..Hα-helixtrans-59.4-47.1177.5178.9-117.7000111.8L14 A59 I62 M172 D173 K174 M178 I179 V180L14-Y176 HydrophobicContact CD1-CD2 3.92Å; L14-Y176 HydrophobicContact CD1-CE2 4.39Å; A59-Y176 HydrophobicContact CB-CD1 3.98Å; A59-Y176 HydrophobicContact CB-CG 3.91Å; I62-Y176 HydrophobicContact CD1-CE2 3.83Å; I62-Y176 HydrophobicContact CG1-CD2 4.28Å; I62-Y176 HydrophobicContact CG1-CE2 3.8Å; M172-Y176 WeakPolarHBondContact O-CB 3.46Å; M172-Y176 PolarHBondContact O-N 2.94Å; D173-Y176 PolarHBondContact O-N 2.8Å; K174-Y176 VanDerWaalsContact C-N 3.34Å; K174-Y176 PolarHBondContact O-N 3.33Å; Y176-M178 VanDerWaalsContact C-N 3.34Å; Y176-M178 PolarHBondContact O-N 2.82Å; Y176-I179 PolarHBondContact O-N 3.27Å; Y176-V180 HydrophobicContact CD1-CG2 4.31Å; Y176-V180 HydrophobicContact CD2-CG2 3.99Å; Y176-V180 HydrophobicContact CE1-CG2 3.92Å; Y176-V180 HydrophobicContact CE2-CG2 3.58Å; Y176-V180 HydrophobicContact CG-CG2 4.33Å; Y176-V180 VanDerWaalsContact O-CG2 3.23Å; Y176-V180 WeakPolarHBondContact O-CG2 3.26Å; Y176-V180 PolarHBondContact O-N 2.96Å
177E96.8Very high95.4Very high109 Ų10951.8 Ų51.851%0.50924%0.244SC..Hα-helixtrans-54-49.2176.2-171-170.9161.600111.6D173 K174 L175 V180 K181D173-E177 WeakPolarHBondContact O-CB 3.46Å; D173-E177 PolarHBondContact O-N 2.88Å; K174-E177 IonicContact NZ-OE2 3.99Å; K174-E177 PolarHBondContact NZ-OE2 2.63Å; K174-E177 VanDerWaalsContact NZ-OE2 3.14Å; K174-E177 PolarHBondContact O-N 3.05Å; L175-E177 PolarHBondContact O-N 2.85Å; E177-V180 PolarHBondContact O-N 2.74Å; E177-K181 WeakPolarHBondContact O-CB 3.33Å; E177-K181 PolarHBondContact O-N 2.67Å
178M97.9Very high94.8Very high24 Ų2457.1 Ų57.112%0.11827%0.266CS..Hα-helixtrans-64.4-40.8178.9-66.7-170.5-72.400112.5P121 H156 K174 L175 Y176 K181 R182P121-M178 HydrophobicContact CB-CB 3.64Å; P121-M178 HydrophobicContact CB-CE 4.22Å; P121-M178 HydrophobicContact CB-SD 4.34Å; P121-M178 HydrophobicContact CG-CB 3.99Å; H156-M178 HydrophobicContact CB-CE 3.99Å; K174-M178 WeakPolarHBondContact O-CG 3.27Å; K174-M178 PolarHBondContact O-N 3.11Å; K174-M178 VanDerWaalsContact O-N 3.09Å; L175-M178 HydrophobicContact CD1-CE 4.37Å; L175-M178 PolarHBondContact O-N 3.22Å; Y176-M178 VanDerWaalsContact C-N 3.34Å; Y176-M178 PolarHBondContact O-N 2.82Å; M178-K181 PolarHBondContact O-N 2.8Å; M178-R182 PolarHBondContact O-N 3.01Å
179I96.6Very high94.2Very high3 Ų362.7 Ų62.72%0.01529%0.29CS..Hα-helixtrans-61.7-46.6176.4-69.9170.5000110.8L14 I16 D87 P121 L175 Y176 K181 R182 R183L14-I179 HydrophobicContact CD1-CD1 4.12Å; L14-I179 HydrophobicContact CD2-CG2 4.15Å; I16-I179 HydrophobicContact CD1-CD1 3.68Å; D87-I179 HydrophobicContact CB-CD1 4.1Å; D87-I179 HydrophobicContact CB-CG2 4.2Å; D87-I179 WeakPolarHBondContact O-CG1 3.21Å; P121-I179 HydrophobicContact CB-CG1 4.49Å; P121-I179 HydrophobicContact CG-CG1 4.08Å; L175-I179 HydrophobicContact CD1-CD1 4.07Å; L175-I179 HydrophobicContact CD1-CG1 4.32Å; L175-I179 HydrophobicContact CG-CD1 3.84Å; L175-I179 HydrophobicContact CG-CG1 4.49Å; L175-I179 VanDerWaalsContact O-CG1 3.23Å; L175-I179 WeakPolarHBondContact O-CG1 3.39Å; L175-I179 PolarHBondContact O-N 3.49Å; Y176-I179 PolarHBondContact O-N 3.27Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 3.26Å; I179-R182 PolarHBondContact O-N 2.99Å; I179-R183 HydrophobicContact CG2-CG 4.47Å; I179-R183 WeakPolarHBondContact O-CB 2.97Å; I179-R183 WeakPolarHBondContact O-CG 3.25Å; I179-R183 PolarHBondContact O-N 3.01Å
180V94.4Very high93.4Very high13 Ų1368 Ų688%0.07931%0.311CS..Hα-helixtrans-59.5-46.1177.9168.20000110.3I8 Y176 E177 R183 K184I8-V180 HydrophobicContact CD1-CB 3.83Å; I8-V180 HydrophobicContact CD1-CG1 3.66Å; I8-V180 HydrophobicContact CD1-CG2 3.6Å; Y176-V180 HydrophobicContact CD1-CG2 4.31Å; Y176-V180 HydrophobicContact CD2-CG2 3.99Å; Y176-V180 HydrophobicContact CE1-CG2 3.92Å; Y176-V180 HydrophobicContact CE2-CG2 3.58Å; Y176-V180 HydrophobicContact CG-CG2 4.33Å; Y176-V180 VanDerWaalsContact O-CG2 3.23Å; Y176-V180 WeakPolarHBondContact O-CG2 3.26Å; Y176-V180 PolarHBondContact O-N 2.96Å; E177-V180 PolarHBondContact O-N 2.74Å; V180-R183 PolarHBondContact O-N 3.44Å; V180-K184 HydrophobicContact CG1-CD 4.17Å; V180-K184 WeakPolarHBondContact O-CG 3.44Å; V180-K184 PolarHBondContact O-N 2.78Å
181K94.7Very high92.4Very high147 Ų14771.9 Ų71.964%0.63933%0.326SS*.Hα-helixtrans-60.7-46.9178-172.5178.1-179.6-1800111.7E177 M178 I179 K184 S185E177-K181 WeakPolarHBondContact O-CB 3.33Å; E177-K181 PolarHBondContact O-N 2.67Å; M178-K181 PolarHBondContact O-N 2.8Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 3.26Å; K181-K184 PolarHBondContact O-N 3.45Å; K181-S185 PolarHBondContact O-N 2.95Å
182R93.9Very high91Very high60 Ų6079.8 Ų79.823%0.22636%0.363CS..Hα-helixtrans-59.2-50.1176.1-178.8-175.7-175.2-164.115.9111.8Q118 G119 T120 P121 M178 I179 K184 S185 L186Q118-R182 PolarHBondContact O-NH2 3Å; G119-R182 WeakPolarHBondContact O-CD 3.37Å; G119-R182 VanDerWaalsContact O-CZ 3.24Å; G119-R182 PolarHBondContact O-NE 2.81Å; T120-R182 VanDerWaalsContact CA-CZ 3.44Å; T120-R182 VanDerWaalsContact CA-NH1 3.29Å; T120-R182 PolarHBondContact OG1-NH1 3.19Å; T120-R182 PolarHBondContact OG1-NH2 2.61Å; P121-R182 HydrophobicContact CG-CB 4.46Å; M178-R182 PolarHBondContact O-N 3.01Å; I179-R182 PolarHBondContact O-N 2.99Å; R182-K184 VanDerWaalsContact C-N 3.3Å; R182-K184 PolarHBondContact O-N 2.97Å; R182-S185 WeakPolarHBondContact O-CB 3.45Å; R182-S185 PolarHBondContact O-N 3.48Å; R182-S185 VanDerWaalsContact O-N 3.17Å; R182-L186 HydrophobicContact CG-CD1 4.1Å; R182-L186 HydrophobicContact CG-CG 4.44Å; R182-L186 WeakPolarHBondContact O-CG 3.02Å; R182-L186 PolarHBondContact O-N 3.08Å
183R92.1Very high89.2Confident42 Ų4289.7 Ų89.716%0.15841%0.409CS..Hα-helixtrans-59.9-39.3-179.7-75.5178169.2-168.1-4.4112L14 D87 I179 V180 K187L14-R183 VanDerWaalsContact CD2-CZ 3.47Å; L14-R183 VanDerWaalsContact CD2-NH1 3.34Å; D87-R183 IonicContact OD1-CZ 3.12Å; D87-R183 IonicContact OD1-NE 3.14Å; D87-R183 PolarHBondContact OD1-NE 3.43Å; D87-R183 IonicContact OD1-NH2 2.74Å; D87-R183 PolarHBondContact OD1-NH2 2.87Å; D87-R183 IonicContact OD2-NH2 3.29Å; D87-R183 PolarHBondContact OD2-NH2 2.8Å; I179-R183 HydrophobicContact CG2-CG 4.47Å; I179-R183 WeakPolarHBondContact O-CB 2.97Å; I179-R183 WeakPolarHBondContact O-CG 3.25Å; I179-R183 PolarHBondContact O-N 3.01Å; V180-R183 PolarHBondContact O-N 3.44Å; R183-K187 WeakPolarHBondContact O-CG 3.17Å; R183-K187 PolarHBondContact O-N 2.63Å; R183-K187 VanDerWaalsContact O-N 3.13Å
184K91.4Very high88.7Confident96 Ų9692.7 Ų92.742%0.41742%0.422SS..Hα-helixtrans-62.9-47174.3-74.3175.6179.2178.50111.7V180 K181 R182 L186 K187 Q188V180-K184 HydrophobicContact CG1-CD 4.17Å; V180-K184 WeakPolarHBondContact O-CG 3.44Å; V180-K184 PolarHBondContact O-N 2.78Å; K181-K184 PolarHBondContact O-N 3.45Å; R182-K184 VanDerWaalsContact C-N 3.3Å; R182-K184 PolarHBondContact O-N 2.97Å; K184-L186 PolarHBondContact O-N 3.24Å; K184-K187 PolarHBondContact O-N 3.48Å; K184-Q188 WeakPolarHBondContact O-CG 3.47Å; K184-Q188 PolarHBondContact O-N 3.13Å; K184-Q188 VanDerWaalsContact O-N 3.08Å
185S89.9Confident88.2Confident50 Ų5093.1 Ų93.135%0.3542%0.424SS..Hα-helixtrans-59.6-45.3177.6177.60000112.5K181 R182 K187 Q188 K189K181-S185 PolarHBondContact O-N 2.95Å; R182-S185 WeakPolarHBondContact O-CB 3.45Å; R182-S185 PolarHBondContact O-N 3.48Å; R182-S185 VanDerWaalsContact O-N 3.17Å; S185-K187 PolarHBondContact O-N 3.43Å; S185-Q188 PolarHBondContact O-N 3.1Å; S185-K189 PolarHBondContact O-N 3.29Å
186L88.3Confident87.6Confident88 Ų8898.2 Ų98.246%0.46145%0.448SS..Hα-helixtrans-63-39177.4-68.6175000112.6R182 K184 K190R182-L186 HydrophobicContact CG-CD1 4.1Å; R182-L186 HydrophobicContact CG-CG 4.44Å; R182-L186 WeakPolarHBondContact O-CG 3.02Å; R182-L186 PolarHBondContact O-N 3.08Å; K184-L186 PolarHBondContact O-N 3.24Å; L186-K190 WeakPolarHBondContact O-CG 3.42Å; L186-K190 PolarHBondContact O-N 2.7Å
187K87.8Confident87.1Confident119 Ų119101.3 Ų101.352%0.51746%0.463SS..Hα-helixtrans-65.3-37.5175.4-74.9179.6-179.8-174.90112.4R183 K184 S185 K191R183-K187 WeakPolarHBondContact O-CG 3.17Å; R183-K187 PolarHBondContact O-N 2.63Å; R183-K187 VanDerWaalsContact O-N 3.13Å; K184-K187 PolarHBondContact O-N 3.48Å; S185-K187 PolarHBondContact O-N 3.43Å; K187-K191 WeakPolarHBondContact O-CG 3.4Å; K187-K191 PolarHBondContact O-N 2.88Å
188Q86.1Confident86.5Confident120 Ų120100.8 Ų100.856%0.56146%0.46SS*.Hα-helixtrans-67.6-44.6177.9-73172.2-7.400111.5K184 S185 K190 K191 Q192K184-Q188 WeakPolarHBondContact O-CG 3.47Å; K184-Q188 PolarHBondContact O-N 3.13Å; K184-Q188 VanDerWaalsContact O-N 3.08Å; S185-Q188 PolarHBondContact O-N 3.1Å; Q188-K190 VanDerWaalsContact C-N 3.31Å; Q188-K190 PolarHBondContact O-N 2.8Å; Q188-K191 PolarHBondContact O-N 3.13Å; Q188-K191 VanDerWaalsContact O-N 3.1Å; Q188-Q192 PolarHBondContact O-N 3.24Å
189K84.5Confident85.7Confident123 Ų123105.9 Ų105.954%0.53548%0.483SS..Hα-helixtrans-59-40.4175.9-69.8-178.1-179.8-173.80112.5S185 K191 Q192S185-K189 PolarHBondContact O-N 3.29Å; K189-K191 VanDerWaalsContact C-N 3.28Å; K189-K191 PolarHBondContact O-N 3.1Å; K189-Q192 PolarHBondContact O-N 3.31Å
190K80.7Confident85Confident162 Ų162113.3 Ų113.370%0.70452%0.517SS*.Hα-helixtrans-67.2-22.3176.5-75.2-174.1177.1-169.70114.7L186 Q188L186-K190 WeakPolarHBondContact O-CG 3.42Å; L186-K190 PolarHBondContact O-N 2.7Å; Q188-K190 VanDerWaalsContact C-N 3.31Å; Q188-K190 PolarHBondContact O-N 2.8Å
191K77.5Confident84.2Confident183 Ų183121 Ų12180%0.79655%0.55SS**Hα-helixtrans-85.8-14177.1-74.1-177.3175.3-167.70113.1K187 Q188 K189K187-K191 WeakPolarHBondContact O-CG 3.4Å; K187-K191 PolarHBondContact O-N 2.88Å; Q188-K191 PolarHBondContact O-N 3.13Å; Q188-K191 VanDerWaalsContact O-N 3.1Å; K189-K191 VanDerWaalsContact C-N 3.28Å; K189-K191 PolarHBondContact O-N 3.1Å
192Q69.3Low83.4Confident166 Ų166118.8 Ų118.878%0.77654%0.543SS*.  trans-100.2-2.6-178.8-67.2173.60.700112.5Q188 K189Q188-Q192 PolarHBondContact O-N 3.24Å; K189-Q192 PolarHBondContact O-N 3.31Å
193Q58.9Low82.4Confident217 Ų217124.2 Ų124.2100%1.01457%0.572SS**  trans-1040171.5-67.3178.1-0.600108.6

Retrieved 193 of 193 residues in 128.9 ms (Link to these results)

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