G4VKQ8_SCHMA Loading...

Putative ubiquitin-conjugating enzyme E2 C

AlphaFold DB , UniProt , Accession G4VKQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 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
1M52.9Low84.6Confident234 Ų23482.1 Ų82.1100%1.15343%0.431SS*.  00.80-63.7-174.9-167.600114.2
2N60.6Low85.6Confident83 Ų8385.8 Ų85.844%0.44444%0.441SS..  trans-102.4-13.5-176.9-146.318.5000115.3S5 V6 P62N2-S5 PolarHBondContact O-OG 3.33Å; N2-S5 PolarHBondContact OD1-OG 3.14Å; N2-V6 WeakPolarHBondContact O-CG2 3.36Å; N2-V6 PolarHBondContact O-N 2.92Å; N2-P62 PolarHBondContact ND2-O 3.17Å
3G72Confident86.5Confident44 Ų4479.4 Ų79.445%0.45441%0.408SS..Hα-helixtrans-68.3-38.3-179.700000113.2S5 V6 N7G3-S5 PolarHBondContact O-N 2.77Å; G3-V6 PolarHBondContact O-N 2.94Å; G3-N7 WeakPolarHBondContact O-CB 3.45Å; G3-N7 PolarHBondContact O-N 3.13Å
4D83Confident87.2Confident115 Ų11575.3 Ų75.362%0.61539%0.387SS*.Hα-helixtrans-67.4-35.3-176.6-60.2-26.7000112.8K8D4-K8 WeakPolarHBondContact O-CB 3.2Å; D4-K8 VanDerWaalsContact O-CG 3.25Å; D4-K8 WeakPolarHBondContact O-CG 3.47Å; D4-K8 PolarHBondContact O-N 2.74Å; D4-K8 VanDerWaalsContact O-N 3.1Å
5S89.6Confident87.8Confident60 Ų6076.7 Ų76.742%0.4239%0.393SS..Hα-helixtrans-69.7-44.1176.142.50000111.4N2 G3 K8 R9N2-S5 PolarHBondContact O-OG 3.33Å; N2-S5 PolarHBondContact OD1-OG 3.14Å; G3-S5 PolarHBondContact O-N 2.77Å; S5-K8 PolarHBondContact O-N 2.8Å; S5-R9 WeakPolarHBondContact O-CB 3.43Å; S5-R9 PolarHBondContact O-N 3.09Å
6V93.2Very high88.3Confident4 Ų476 Ų762%0.02439%0.388CS..Hα-helixtrans-60-49.7175.1174.40000110.2N2 G3 K8 R9 L10 Y64N2-V6 WeakPolarHBondContact O-CG2 3.36Å; N2-V6 PolarHBondContact O-N 2.92Å; G3-V6 PolarHBondContact O-N 2.94Å; V6-K8 PolarHBondContact O-N 2.86Å; V6-R9 WeakPolarHBondContact O-CB 3.26Å; V6-R9 PolarHBondContact O-N 3.17Å; V6-R9 VanDerWaalsContact O-N 3.12Å; V6-L10 HydrophobicContact CG1-CD1 3.64Å; V6-L10 HydrophobicContact CG1-CG 4.18Å; V6-L10 WeakPolarHBondContact O-CG 3.5Å; V6-L10 PolarHBondContact O-N 3.44Å; V6-Y64 HydrophobicContact CG1-CD1 4.44Å; V6-Y64 VanDerWaalsContact CG2-O 3.29Å; V6-Y64 WeakPolarHBondContact CG2-O 3.4Å
7N93.6Very high88.8Confident55 Ų5572.2 Ų72.229%0.29437%0.368SS..Hα-helixtrans-60.5-43.5-179.6-74.5-12.9000112.6G3 R9 L10 Q11 L34G3-N7 WeakPolarHBondContact O-CB 3.45Å; G3-N7 PolarHBondContact O-N 3.13Å; N7-R9 VanDerWaalsContact C-N 3.32Å; N7-R9 PolarHBondContact O-N 3.14Å; N7-L10 PolarHBondContact O-N 3.04Å; N7-Q11 WeakPolarHBondContact O-CB 3.2Å; N7-Q11 VanDerWaalsContact O-CG 3.28Å; N7-Q11 WeakPolarHBondContact O-CG 3.43Å; N7-Q11 PolarHBondContact O-N 3.18Å; N7-L34 HydrophobicContact CB-CD1 4.31Å
8K95Very high89.1Confident147 Ų14772.6 Ų72.664%0.63937%0.371SS*.Hα-helixtrans-60.6-41.3175.2-76173.4-177.3177.90112.2D4 S5 V6 K12D4-K8 WeakPolarHBondContact O-CB 3.2Å; D4-K8 VanDerWaalsContact O-CG 3.25Å; D4-K8 WeakPolarHBondContact O-CG 3.47Å; D4-K8 PolarHBondContact O-N 2.74Å; D4-K8 VanDerWaalsContact O-N 3.1Å; S5-K8 PolarHBondContact O-N 2.8Å; V6-K8 PolarHBondContact O-N 2.86Å; K8-K12 PolarHBondContact O-N 3.35Å; K8-K12 VanDerWaalsContact O-N 3.12Å
9R96.7Very high89.4Confident57 Ų5775.9 Ų75.922%0.21539%0.386CS..Hα-helixtrans-62.3-48.6175.9174.764.2-175.4-102.5-11.9111S5 V6 N7 K12 E13 Y64 P65 P99 L101S5-R9 WeakPolarHBondContact O-CB 3.43Å; S5-R9 PolarHBondContact O-N 3.09Å; V6-R9 WeakPolarHBondContact O-CB 3.26Å; V6-R9 PolarHBondContact O-N 3.17Å; V6-R9 VanDerWaalsContact O-N 3.12Å; N7-R9 VanDerWaalsContact C-N 3.32Å; N7-R9 PolarHBondContact O-N 3.14Å; R9-K12 WeakPolarHBondContact O-CB 3.47Å; R9-K12 PolarHBondContact O-N 3.31Å; R9-E13 IonicContact CZ-OE1 3.05Å; R9-E13 IonicContact NE-OE1 2.63Å; R9-E13 PolarHBondContact NE-OE1 2.99Å; R9-E13 IonicContact NH2-OE1 2.66Å; R9-E13 PolarHBondContact NH2-OE1 3.22Å; R9-E13 PolarHBondContact O-N 2.85Å; R9-Y64 HydrophobicContact CG-CD1 4.2Å; R9-Y64 HydrophobicContact CG-CE1 3.69Å; R9-P65 VanDerWaalsContact NH1-CG 3.28Å; R9-P99 PolarHBondContact NH1-O 2.85Å; R9-P99 PolarHBondContact NH2-O 2.98Å; R9-P99 VanDerWaalsContact NH2-O 3.15Å; R9-L101 PolarHBondContact NH2-O 3.37Å
10L97.4Very high89.6Confident0 Ų073 Ų730%037%0.373CS..Hα-helixtrans-65.9-39-179-66.1175.5000112.5V6 N7 K12 E13 L14 L34 W37 F60 Y64V6-L10 HydrophobicContact CG1-CD1 3.64Å; V6-L10 HydrophobicContact CG1-CG 4.18Å; V6-L10 WeakPolarHBondContact O-CG 3.5Å; V6-L10 PolarHBondContact O-N 3.44Å; N7-L10 PolarHBondContact O-N 3.04Å; L10-K12 VanDerWaalsContact C-N 3.34Å; L10-K12 PolarHBondContact O-N 2.93Å; L10-E13 PolarHBondContact O-N 3.43Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3.47Å; L10-L34 VanDerWaalsContact CD1-O 3.3Å; L10-L34 WeakPolarHBondContact CD1-O 3.48Å; L10-W37 HydrophobicContact CB-CZ2 4.03Å; L10-W37 HydrophobicContact CD2-CZ2 4.32Å; L10-W37 WeakPolarHBondContact O-CZ2 3.35Å; L10-F60 HydrophobicContact CD1-CB 3.99Å; L10-F60 HydrophobicContact CD1-CD2 4Å; L10-F60 HydrophobicContact CD1-CG 3.92Å; L10-F60 HydrophobicContact CD2-CB 4.4Å; L10-F60 HydrophobicContact CD2-CD1 3.46Å; L10-F60 VanDerWaalsContact CD2-CD1 3.46Å; L10-F60 HydrophobicContact CD2-CD2 3.92Å; L10-F60 HydrophobicContact CD2-CE1 3.56Å; L10-F60 HydrophobicContact CD2-CE2 4.04Å; L10-F60 HydrophobicContact CD2-CG 3.65Å; L10-F60 HydrophobicContact CD2-CZ 3.86Å; L10-F60 HydrophobicContact CG-CG 4.45Å; L10-Y64 HydrophobicContact CD2-CD1 3.88Å; L10-Y64 HydrophobicContact CD2-CE1 3.49Å; L10-Y64 VanDerWaalsContact CD2-CE1 3.49Å; L10-Y64 HydrophobicContact CG-CD1 4.35Å; L10-Y64 HydrophobicContact CG-CE1 4.28Å
11Q96.2Very high89.7Confident104 Ų10476.9 Ų76.949%0.48640%0.395SS..Hα-helixtrans-61.5-42.8173.7-74.9174.4-28.400111.9N7 L14 M15 L34N7-Q11 WeakPolarHBondContact O-CB 3.2Å; N7-Q11 VanDerWaalsContact O-CG 3.28Å; N7-Q11 WeakPolarHBondContact O-CG 3.43Å; N7-Q11 PolarHBondContact O-N 3.18Å; Q11-L14 PolarHBondContact O-N 3.17Å; Q11-M15 WeakPolarHBondContact O-CG 3.42Å; Q11-M15 PolarHBondContact O-N 3.32Å; Q11-M15 VanDerWaalsContact O-N 3.08Å; Q11-L34 HydrophobicContact CG-CD1 3.75Å
12K96.9Very high91.6Very high126 Ų12668.5 Ų68.555%0.54836%0.355SS..Hα-helixtrans-60.3-50.5176.1179.4-174.2164.6-173.60110.8K8 R9 L10 L14 M15 E16K8-K12 PolarHBondContact O-N 3.35Å; K8-K12 VanDerWaalsContact O-N 3.12Å; R9-K12 WeakPolarHBondContact O-CB 3.47Å; R9-K12 PolarHBondContact O-N 3.31Å; L10-K12 VanDerWaalsContact C-N 3.34Å; L10-K12 PolarHBondContact O-N 2.93Å; K12-L14 VanDerWaalsContact C-N 3.3Å; K12-L14 PolarHBondContact O-N 3.14Å; K12-M15 PolarHBondContact O-N 2.67Å; K12-E16 WeakPolarHBondContact CE-OE1 3.5Å; K12-E16 IonicContact NZ-OE1 3.62Å; K12-E16 WeakPolarHBondContact O-CG 3.22Å; K12-E16 PolarHBondContact O-N 3.44Å
13E97.4Very high93.1Very high3 Ų370.2 Ų70.21%0.01436%0.358CS..Hα-helixtrans-64.5-34.9179.8-71-165.1-164.500113.1R9 L10 M15 E16 L17 W37 Y64 T102 V103R9-E13 IonicContact CZ-OE1 3.05Å; R9-E13 IonicContact NE-OE1 2.63Å; R9-E13 PolarHBondContact NE-OE1 2.99Å; R9-E13 IonicContact NH2-OE1 2.66Å; R9-E13 PolarHBondContact NH2-OE1 3.22Å; R9-E13 PolarHBondContact O-N 2.85Å; L10-E13 PolarHBondContact O-N 3.43Å; E13-M15 VanDerWaalsContact C-N 3.32Å; E13-M15 PolarHBondContact O-N 3.38Å; E13-E16 PolarHBondContact O-N 3.03Å; E13-L17 VanDerWaalsContact O-CB 3.26Å; E13-L17 WeakPolarHBondContact O-CB 3.24Å; E13-L17 PolarHBondContact O-N 3.16Å; E13-W37 HydrophobicContact CB-CH2 4.36Å; E13-Y64 VanDerWaalsContact CD-OH 3.25Å; E13-Y64 PolarHBondContact OE1-OH 3.21Å; E13-Y64 PolarHBondContact OE2-OH 3.4Å; E13-Y64 VanDerWaalsContact OE2-OH 3.07Å; E13-T102 HydrophobicContact CG-CG2 4.34Å; E13-T102 WeakPolarHBondContact OE2-CA 3.16Å; E13-V103 WeakPolarHBondContact OE2-CB 3.28Å; E13-V103 WeakPolarHBondContact OE2-CG2 3.49Å; E13-V103 PolarHBondContact OE2-N 3.34Å
14L97Very high94.2Very high22 Ų2268.8 Ų68.812%0.11534%0.341CS..Hα-helixtrans-61.1-45.2174.4-179.259.4000110.3L10 Q11 K12 L17 L18 P29 W37L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3.47Å; Q11-L14 PolarHBondContact O-N 3.17Å; K12-L14 VanDerWaalsContact C-N 3.3Å; K12-L14 PolarHBondContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 3.42Å; L14-L18 HydrophobicContact CD1-CD1 4.29Å; L14-L18 HydrophobicContact CD1-CG 4.29Å; L14-L18 HydrophobicContact CG-CD1 4.1Å; L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 WeakPolarHBondContact O-CG 3.5Å; L14-L18 PolarHBondContact O-N 2.87Å; L14-P29 HydrophobicContact CD2-CG 3.85Å; L14-W37 HydrophobicContact CB-CH2 3.66Å; L14-W37 HydrophobicContact CB-CZ2 3.93Å; L14-W37 HydrophobicContact CD1-CH2 4.17Å; L14-W37 HydrophobicContact CD1-CZ3 4.39Å; L14-W37 HydrophobicContact CG-CH2 4.48Å
15M96.2Very high95Very high97 Ų9763.5 Ų63.548%0.47831%0.313SS..Hα-helixtrans-63.4-44177-67-58.6103.200111.7Q11 K12 E13 L17 L18 M19Q11-M15 WeakPolarHBondContact O-CG 3.42Å; Q11-M15 PolarHBondContact O-N 3.32Å; Q11-M15 VanDerWaalsContact O-N 3.08Å; K12-M15 PolarHBondContact O-N 2.67Å; E13-M15 VanDerWaalsContact C-N 3.32Å; E13-M15 PolarHBondContact O-N 3.38Å; M15-L17 VanDerWaalsContact C-N 3.32Å; M15-L17 PolarHBondContact O-N 3.02Å; M15-L18 HydrophobicContact CE-CD1 3.6Å; M15-L18 PolarHBondContact O-N 2.88Å; M15-M19 HydrophobicContact CB-CE 4.28Å; M15-M19 WeakPolarHBondContact O-CB 3.42Å; M15-M19 WeakPolarHBondContact O-CE 3.46Å; M15-M19 VanDerWaalsContact O-CG 3.24Å; M15-M19 WeakPolarHBondContact O-CG 3.17Å; M15-M19 PolarHBondContact O-N 3.28Å
16E95.5Very high95.3Very high65 Ų6563 Ų6330%0.30431%0.308SS..Hα-helixtrans-58-45.8176.4-71.4171.6162.500111.1K12 E13 L18 M19 S20K12-E16 WeakPolarHBondContact CE-OE1 3.5Å; K12-E16 IonicContact NZ-OE1 3.62Å; K12-E16 WeakPolarHBondContact O-CG 3.22Å; K12-E16 PolarHBondContact O-N 3.44Å; E13-E16 PolarHBondContact O-N 3.03Å; E16-L18 PolarHBondContact O-N 2.68Å; E16-M19 CarbonylContact O-C 3.59Å; E16-M19 PolarHBondContact O-N 2.86Å; E16-S20 PolarHBondContact O-N 2.88Å
17L95.7Very high95.6Very high11 Ų1162.9 Ų62.96%0.05831%0.307CS..Hα-helixtrans-67.8-36.3-179.8-165140.8000112.7E13 L14 M15 S20 A27 V103 E104 L107E13-L17 VanDerWaalsContact O-CB 3.26Å; E13-L17 WeakPolarHBondContact O-CB 3.24Å; E13-L17 PolarHBondContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 3.42Å; M15-L17 VanDerWaalsContact C-N 3.32Å; M15-L17 PolarHBondContact O-N 3.02Å; L17-S20 WeakPolarHBondContact O-CB 3.32Å; L17-S20 PolarHBondContact O-N 2.85Å; L17-A27 HydrophobicContact CD1-CB 4.16Å; L17-A27 HydrophobicContact CD2-CB 4.22Å; L17-V103 HydrophobicContact CD1-CB 4.37Å; L17-V103 HydrophobicContact CD1-CG1 3.79Å; L17-E104 HydrophobicContact CD1-CB 4.23Å; L17-L107 HydrophobicContact CD1-CD1 4.19Å
18L94.5Very high95.7Very high79 Ų7965.3 Ų65.341%0.41432%0.315SS..Hα-helixtrans-68.4-35.5173.9-70.5173.4000112.6L14 M15 E16 S20 F28L14-L18 HydrophobicContact CD1-CD1 4.29Å; L14-L18 HydrophobicContact CD1-CG 4.29Å; L14-L18 HydrophobicContact CG-CD1 4.1Å; L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 WeakPolarHBondContact O-CG 3.5Å; L14-L18 PolarHBondContact O-N 2.87Å; M15-L18 HydrophobicContact CE-CD1 3.6Å; M15-L18 PolarHBondContact O-N 2.88Å; E16-L18 PolarHBondContact O-N 2.68Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-F28 HydrophobicContact CD2-CD1 4.26Å; L18-F28 HydrophobicContact CD2-CE1 3.48Å; L18-F28 VanDerWaalsContact CD2-CE1 3.48Å; L18-F28 HydrophobicContact CD2-CZ 4.13Å
19M94.9Very high95.8Very high136 Ų13660 Ų6067%0.6730%0.295SS*.Hα-helixtrans-80.4-14.1177.1-67.9-174.5-61.600113M15 E16 N21M15-M19 HydrophobicContact CB-CE 4.28Å; M15-M19 WeakPolarHBondContact O-CB 3.42Å; M15-M19 WeakPolarHBondContact O-CE 3.46Å; M15-M19 VanDerWaalsContact O-CG 3.24Å; M15-M19 WeakPolarHBondContact O-CG 3.17Å; M15-M19 PolarHBondContact O-N 3.28Å; E16-M19 CarbonylContact O-C 3.59Å; E16-M19 PolarHBondContact O-N 2.86Å; M19-N21 PolarHBondContact O-N 2.69Å
20S93Very high95.7Very high18 Ų1861.7 Ų61.713%0.12631%0.309CS..  trans-60136.3179.1-177.70000111.3E16 L17 L18 D22 K23 E104E16-S20 PolarHBondContact O-N 2.88Å; L17-S20 WeakPolarHBondContact O-CB 3.32Å; L17-S20 PolarHBondContact O-N 2.85Å; L18-S20 VanDerWaalsContact C-N 3.33Å; S20-D22 VanDerWaalsContact C-N 3.26Å; S20-D22 PolarHBondContact OG-N 3.37Å; S20-D22 VanDerWaalsContact OG-N 3.14Å; S20-K23 PolarHBondContact O-NZ 3.29Å; S20-E104 VanDerWaalsContact CB-OE1 3.27Å; S20-E104 WeakPolarHBondContact CB-OE1 3.41Å; S20-E104 PolarHBondContact OG-OE1 3.18Å
21N92.5Very high95.3Very high154 Ų15464.7 Ų64.782%0.82434%0.339SS*.SBendtrans-77.1-16.1172.7-74.7-24.1000112.1M19 K23M19-N21 PolarHBondContact O-N 2.69Å; N21-K23 PolarHBondContact O-N 2.95Å
22D92.6Very high94.8Very high58 Ų5869.3 Ų69.331%0.3136%0.361SS..  trans-76.8113.2176.9-166.9-23.9000109.9S20 S24 L108S20-D22 VanDerWaalsContact C-N 3.26Å; S20-D22 PolarHBondContact OG-N 3.37Å; S20-D22 VanDerWaalsContact OG-N 3.14Å; D22-S24 VanDerWaalsContact CG-OG 3.31Å; D22-S24 WeakPolarHBondContact OD1-CA 3.4Å; D22-S24 WeakPolarHBondContact OD1-CB 3.33Å; D22-S24 PolarHBondContact OD1-N 2.65Å; D22-S24 PolarHBondContact OD1-OG 3.11Å; D22-S24 PolarHBondContact OD2-OG 2.83Å; D22-L108 WeakPolarHBondContact OD2-CD2 3.22Å
23K91.7Very high94.2Very high120 Ų12067 Ų6752%0.52236%0.355SS..  trans-99.59.8178.6-52.7-51.8-178.1-168.30112.8S20 N21 V25S20-K23 PolarHBondContact O-NZ 3.29Å; N21-K23 PolarHBondContact O-N 2.95Å; K23-V25 VanDerWaalsContact C-N 3.3Å
24S96.7Very high94Very high13 Ų1368.5 Ų68.59%0.09136%0.363CS..SBendtrans-76.3-22.1173.974.70000112.1D22 I41 R42 R111D22-S24 VanDerWaalsContact CG-OG 3.31Å; D22-S24 WeakPolarHBondContact OD1-CA 3.4Å; D22-S24 WeakPolarHBondContact OD1-CB 3.33Å; D22-S24 PolarHBondContact OD1-N 2.65Å; D22-S24 PolarHBondContact OD1-OG 3.11Å; D22-S24 PolarHBondContact OD2-OG 2.83Å; S24-I41 CarbonylContact O-C 3.58Å; S24-I41 WeakPolarHBondContact O-CA 3.22Å; S24-R42 PolarHBondContact O-N 3.41Å; S24-R111 WeakPolarHBondContact OG-CD 3.48Å
25V98.1Very high94Very high5 Ų568.8 Ų68.83%0.0337%0.366CS..EExtended strand (participates in β ladder)trans-130.9139.5176.3-56.50000110.7K23 S40 I41 E104 L107 L108K23-V25 VanDerWaalsContact C-N 3.3Å; V25-S40 CarbonylContact C-O 3.43Å; V25-S40 WeakPolarHBondContact CA-O 3.47Å; V25-I41 HydrophobicContact CG1-CG1 4.08Å; V25-E104 HydrophobicContact CG2-CG 4.48Å; V25-L107 HydrophobicContact CB-CB 3.86Å; V25-L107 HydrophobicContact CB-CD1 4.26Å; V25-L107 HydrophobicContact CG1-CB 3.89Å; V25-L107 HydrophobicContact CG2-CB 4.22Å; V25-L108 HydrophobicContact CG1-CD2 4.04Å; V25-L108 HydrophobicContact CG2-CD2 4.07Å; V25-L108 HydrophobicContact CG2-CG 4.23Å
26T97.4Very high94Very high50 Ų5067.1 Ų67.131%0.30736%0.357SS..EExtended strand (participates in β ladder)trans-142.5151.5175.659.80000109.4A39 S40T26-A39 CarbonylContact O-C 3.44Å; T26-A39 WeakPolarHBondContact O-CA 3.4Å; T26-A39 WeakPolarHBondContact O-CB 3.47Å; T26-S40 PolarHBondContact N-O 2.84Å; T26-S40 PolarHBondContact O-N 2.81Å
27A97.8Very high94.2Very high0 Ų064.2 Ų64.20%034%0.343CS..EExtended strand (participates in β ladder)trans-154.7145.2173.900000111.6L17 W37 L38 A39 V103 L107L17-A27 HydrophobicContact CD1-CB 4.16Å; L17-A27 HydrophobicContact CD2-CB 4.22Å; A27-W37 HydrophobicContact CB-CE3 3.7Å; A27-W37 HydrophobicContact CB-CZ3 4.23Å; A27-L38 WeakPolarHBondContact CA-O 2.92Å; A27-A39 HydrophobicContact CB-CB 3.71Å; A27-V103 HydrophobicContact CB-CG1 4.14Å; A27-L107 HydrophobicContact CB-CD1 3.95Å
28F96.7Very high94.3Very high106 Ų10667.2 Ų67.247%0.46536%0.358SS..EExtended strand (participates in β ladder)trans-143.5147.4-177.4-58.2-91.2000110.2L18 W37 L38L18-F28 HydrophobicContact CD2-CD1 4.26Å; L18-F28 HydrophobicContact CD2-CE1 3.48Å; L18-F28 VanDerWaalsContact CD2-CE1 3.48Å; L18-F28 HydrophobicContact CD2-CZ 4.13Å; F28-W37 CarbonylContact O-C 3.58Å; F28-W37 WeakPolarHBondContact O-CA 3.29Å; F28-W37 WeakPolarHBondContact O-CB 3.37Å; F28-L38 PolarHBondContact N-O 3.16Å; F28-L38 PolarHBondContact O-N 2.91Å
29P97Very high94.5Very high35 Ų3563.6 Ų63.623%0.22734%0.34CS..EExtended strand (participates in β ladder)trans-54.9139.3168.7-23.733.5000111.9L14 L34 H36L14-P29 HydrophobicContact CD2-CG 3.85Å; P29-L34 HydrophobicContact CB-CD2 4.04Å; P29-L34 HydrophobicContact CG-CD2 3.65Å; P29-H36 CarbonylContact C-O 3.49Å; P29-H36 WeakPolarHBondContact CA-O 3.39Å
30D93.6Very high94.6Very high94 Ų9457.8 Ų57.850%0.50331%0.313SS..SBendtrans-94.794.2176.7-169.719.9000109.6H36 L38D30-H36 PolarHBondContact N-O 2.61Å; D30-L38 HydrophobicContact CB-CD1 4.21Å; D30-L38 HydrophobicContact CB-CG 4.07Å
31G90Very high94.9Very high62 Ų6256.9 Ų56.964%0.63931%0.307SS*.THydrogen-bonded Turntrans80.6-146.7-174.700000113.1
32E84.7Confident95.2Very high201 Ų20156 Ų5694%0.93929%0.291SS*.THydrogen-bonded Turntrans-83.4-21-173.5-61.8-175172.100113.2L34E32-L34 PolarHBondContact O-N 3.32Å
33N86.2Confident95.4Very high78 Ų7853.2 Ų53.242%0.41728%0.277SS..  trans-85.2115.2-177.5-171.64.7000111.2T35 H36N33-T35 VanDerWaalsContact CG-OG1 3.23Å; N33-T35 PolarHBondContact ND2-OG1 2.8Å; N33-T35 PolarHBondContact O-N 3.46Å; N33-T35 VanDerWaalsContact O-N 3.16Å; N33-T35 PolarHBondContact OD1-N 3.35Å; N33-T35 PolarHBondContact OD1-OG1 3.14Å; N33-H36 PolarHBondContact ND2-ND1 2.96Å; N33-H36 VanDerWaalsContact ND2-ND1 3.18Å; N33-H36 PolarHBondContact O-N 3.49Å
34L93Very high95.7Very high35 Ų3547.9 Ų47.918%0.18325%0.254CS..THydrogen-bonded Turntrans-66.2-13.4177.4-67.1-179.8000113.7N7 L10 Q11 P29 E32 H36 W37N7-L34 HydrophobicContact CB-CD1 4.31Å; L10-L34 VanDerWaalsContact CD1-O 3.3Å; L10-L34 WeakPolarHBondContact CD1-O 3.48Å; Q11-L34 HydrophobicContact CG-CD1 3.75Å; P29-L34 HydrophobicContact CB-CD2 4.04Å; P29-L34 HydrophobicContact CG-CD2 3.65Å; E32-L34 PolarHBondContact O-N 3.32Å; L34-H36 VanDerWaalsContact C-N 3.32Å; L34-W37 VanDerWaalsContact O-CD1 3.23Å; L34-W37 PolarHBondContact O-NE1 3.32Å
35T95.6Very high95.7Very high28 Ų2852.6 Ų52.617%0.17228%0.278CS..THydrogen-bonded Turntrans-85.61.8-179.368.20000114.6N33 E59 F60N33-T35 VanDerWaalsContact CG-OG1 3.23Å; N33-T35 PolarHBondContact ND2-OG1 2.8Å; N33-T35 PolarHBondContact O-N 3.46Å; N33-T35 VanDerWaalsContact O-N 3.16Å; N33-T35 PolarHBondContact OD1-N 3.35Å; N33-T35 PolarHBondContact OD1-OG1 3.14Å; T35-E59 WeakPolarHBondContact O-CA 3.12Å; T35-F60 WeakPolarHBondContact O-CD2 3.39Å; T35-F60 PolarHBondContact O-N 2.7Å
36H97.7Very high95.6Very high62 Ų6255.8 Ų55.829%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-130.3119177.3-66.881.9000109.2P29 D30 N33 L34 L58 E59P29-H36 CarbonylContact C-O 3.49Å; P29-H36 WeakPolarHBondContact CA-O 3.39Å; D30-H36 PolarHBondContact N-O 2.61Å; N33-H36 PolarHBondContact ND2-ND1 2.96Å; N33-H36 VanDerWaalsContact ND2-ND1 3.18Å; N33-H36 PolarHBondContact O-N 3.49Å; L34-H36 VanDerWaalsContact C-N 3.32Å; H36-L58 CarbonylContact C-O 3.32Å; H36-L58 WeakPolarHBondContact CA-O 3.45Å; H36-E59 IonicContact CD2-OE1 3.62Å; H36-E59 IonicContact CE1-OE1 2.84Å; H36-E59 VanDerWaalsContact NE2-CD 3.29Å; H36-E59 WeakPolarHBondContact NE2-CG 3.48Å; H36-E59 IonicContact NE2-OE1 3.06Å; H36-E59 PolarHBondContact NE2-OE1 2.77Å
37W98.4Very high95.6Very high3 Ų354.9 Ų54.91%0.01131%0.307CS..EExtended strand (participates in β ladder)trans-122146.8-178.4-68.821.8000111L10 E13 L14 A27 F28 L34 S57 L58 F60 V103L10-W37 HydrophobicContact CB-CZ2 4.03Å; L10-W37 HydrophobicContact CD2-CZ2 4.32Å; L10-W37 WeakPolarHBondContact O-CZ2 3.35Å; E13-W37 HydrophobicContact CB-CH2 4.36Å; L14-W37 HydrophobicContact CB-CH2 3.66Å; L14-W37 HydrophobicContact CB-CZ2 3.93Å; L14-W37 HydrophobicContact CD1-CH2 4.17Å; L14-W37 HydrophobicContact CD1-CZ3 4.39Å; L14-W37 HydrophobicContact CG-CH2 4.48Å; A27-W37 HydrophobicContact CB-CE3 3.7Å; A27-W37 HydrophobicContact CB-CZ3 4.23Å; F28-W37 CarbonylContact O-C 3.58Å; F28-W37 WeakPolarHBondContact O-CA 3.29Å; F28-W37 WeakPolarHBondContact O-CB 3.37Å; L34-W37 VanDerWaalsContact O-CD1 3.23Å; L34-W37 PolarHBondContact O-NE1 3.32Å; W37-S57 WeakPolarHBondContact O-CA 3.24Å; W37-L58 HydrophobicContact CB-CB 4.27Å; W37-L58 PolarHBondContact N-O 3.33Å; W37-L58 PolarHBondContact O-N 3.27Å; W37-F60 HydrophobicContact CB-CE2 4Å; W37-F60 AromaticContact CD1-CE2 3.55Å; W37-F60 AromaticContact CD2-CE2 3.77Å; W37-F60 HydrophobicContact CD2-CE2 3.77Å; W37-F60 HydrophobicContact CD2-CZ 4.01Å; W37-F60 AromaticContact CE2-CE2 3.97Å; W37-F60 HydrophobicContact CE3-CE2 4.46Å; W37-F60 HydrophobicContact CE3-CZ 4.25Å; W37-F60 AromaticContact CG-CE2 3.53Å; W37-F60 HydrophobicContact CG-CE2 3.53Å; W37-F60 HydrophobicContact CG-CZ 4.17Å; W37-F60 AromaticContact NE1-CE2 3.79Å; W37-V103 HydrophobicContact CE3-CG1 4.03Å; W37-V103 HydrophobicContact CE3-CG2 4.3Å; W37-V103 HydrophobicContact CH2-CG2 4.5Å; W37-V103 HydrophobicContact CZ3-CB 4.1Å; W37-V103 HydrophobicContact CZ3-CG1 3.86Å; W37-V103 HydrophobicContact CZ3-CG2 3.96Å
38L98.2Very high95.6Very high74 Ų7455.6 Ų55.639%0.38731%0.311SS..EExtended strand (participates in β ladder)trans-102121.4164.5-71.4170.4000108.7A27 F28 D30 L56A27-L38 WeakPolarHBondContact CA-O 2.92Å; F28-L38 PolarHBondContact N-O 3.16Å; F28-L38 PolarHBondContact O-N 2.91Å; D30-L38 HydrophobicContact CB-CD1 4.21Å; D30-L38 HydrophobicContact CB-CG 4.07Å; L38-L56 WeakPolarHBondContact CA-O 3.49Å
39A98.4Very high95.7Very high3 Ų350.6 Ų50.63%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-106.4158174.100000111.6T26 A27 K55 L56 L58 L107T26-A39 CarbonylContact O-C 3.44Å; T26-A39 WeakPolarHBondContact O-CA 3.4Å; T26-A39 WeakPolarHBondContact O-CB 3.47Å; A27-A39 HydrophobicContact CB-CB 3.71Å; A39-K55 CarbonylContact O-C 3.53Å; A39-K55 VanDerWaalsContact O-CA 3.3Å; A39-K55 WeakPolarHBondContact O-CA 3.17Å; A39-L56 HydrophobicContact CB-CB 4.35Å; A39-L56 PolarHBondContact N-O 2.92Å; A39-L56 PolarHBondContact O-N 2.9Å; A39-L58 HydrophobicContact CB-CD1 3.46Å; A39-L58 VanDerWaalsContact CB-CD1 3.46Å; A39-L107 HydrophobicContact CB-CD1 3.85Å; A39-L107 HydrophobicContact CB-CD2 3.58Å; A39-L107 HydrophobicContact CB-CG 4.38Å
40S98.1Very high95.7Very high14 Ų1453.1 Ų53.110%0.09830%0.298CS..EExtended strand (participates in β ladder)trans-132.3136.5169.9-162.50000111.3V25 T26 Q53 Y54V25-S40 CarbonylContact C-O 3.43Å; V25-S40 WeakPolarHBondContact CA-O 3.47Å; T26-S40 PolarHBondContact N-O 2.84Å; T26-S40 PolarHBondContact O-N 2.81Å; S40-Q53 WeakPolarHBondContact OG-CG 3.4Å; S40-Q53 PolarHBondContact OG-NE2 3.02Å; S40-Y54 CarbonylContact C-O 3.23Å; S40-Y54 WeakPolarHBondContact CA-O 3.35Å; S40-Y54 PolarHBondContact OG-O 3.16Å
41I98.5Very high95.8Very high0 Ų051.9 Ų51.90%031%0.308CS..EExtended strand (participates in β ladder)trans-121.8127.2177-64.4177.6000108.2S24 V25 Y54 L56 L107 I110 R111 L114S24-I41 CarbonylContact O-C 3.58Å; S24-I41 WeakPolarHBondContact O-CA 3.22Å; V25-I41 HydrophobicContact CG1-CG1 4.08Å; I41-Y54 PolarHBondContact N-O 2.77Å; I41-Y54 PolarHBondContact O-N 3.45Å; I41-L56 HydrophobicContact CB-CD1 4.24Å; I41-L56 HydrophobicContact CD1-CD1 3.64Å; I41-L56 HydrophobicContact CD1-CD2 4.26Å; I41-L56 HydrophobicContact CG1-CD1 3.73Å; I41-L107 HydrophobicContact CD1-CB 4.36Å; I41-L107 HydrophobicContact CD1-CD2 4.02Å; I41-L107 WeakPolarHBondContact CD1-O 3.29Å; I41-L107 HydrophobicContact CG1-CB 4.48Å; I41-L107 HydrophobicContact CG1-CD2 4.24Å; I41-I110 HydrophobicContact CD1-CB 3.9Å; I41-I110 HydrophobicContact CD1-CG2 3.65Å; I41-R111 HydrophobicContact CG2-CB 3.7Å; I41-R111 HydrophobicContact CG2-CG 3.86Å; I41-L114 HydrophobicContact CG2-CD1 4.25Å
42R98.2Very high96.1Very high134 Ų13451 Ų5151%0.50629%0.287SS..EExtended strand (participates in β ladder)trans-79.1131.1166.5-171.4-175.9-60178.62.7109.1S24 R111S24-R42 PolarHBondContact O-N 3.41Å; R42-R111 PolarHBondContact O-NE 3.35Å
43G97.8Very high96.7Very high0 Ų047.9 Ų47.90%027%0.272CS..PPolyproline II helixtrans-53.7137.4173.600000111.2Y49 Q52G43-Y49 WeakPolarHBondContact CA-O 3.47Å; G43-Q52 PolarHBondContact N-O 3.32Å
44P97.8Very high97.3Very high8 Ų844.3 Ų44.35%0.05225%0.253CS..PPolyproline II helixtrans-62.7140.5-177.7-20.631000112.9T47 R111 L114 A115P44-T47 HydrophobicContact CB-CG2 3.82Å; P44-T47 PolarHBondContact O-N 3.08Å; P44-T47 PolarHBondContact O-OG1 3.44Å; P44-R111 HydrophobicContact CG-CG 3.79Å; P44-R111 VanDerWaalsContact CG-O 3.29Å; P44-R111 WeakPolarHBondContact CG-O 3.5Å; P44-L114 HydrophobicContact CG-CB 4.31Å; P44-A115 HydrophobicContact CB-CB 4.37Å; P44-A115 HydrophobicContact CG-CB 4.19Å
45D96.3Very high97.6Very high112 Ų11248.6 Ų48.660%0.59927%0.27SS*.THydrogen-bonded Turntrans-64.5144.9176.3-53.9-30.2000110.2T47D45-T47 VanDerWaalsContact C-N 3.27Å; D45-T47 PolarHBondContact O-N 3.28Å
46G96.2Very high97.7Very high72 Ų7247.2 Ų47.274%0.74226%0.262SS*.THydrogen-bonded Turntrans75.99.9-17700000114.8E50G46-E50 PolarHBondContact N-OE2 2.88Å
47T97.5Very high97.7Very high31 Ų3146.3 Ų46.319%0.1926%0.262CS..SBendtrans-116.7168.7179.175.60000112.6P44 D45 Y49 E50 A115P44-T47 HydrophobicContact CB-CG2 3.82Å; P44-T47 PolarHBondContact O-N 3.08Å; P44-T47 PolarHBondContact O-OG1 3.44Å; D45-T47 VanDerWaalsContact C-N 3.27Å; D45-T47 PolarHBondContact O-N 3.28Å; T47-Y49 PolarHBondContact O-N 3.3Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.11Å; T47-Y49 PolarHBondContact OG1-N 3.07Å; T47-Y49 VanDerWaalsContact OG1-N 3.16Å; T47-E50 WeakPolarHBondContact O-CB 3.14Å; T47-E50 PolarHBondContact O-N 2.75Å; T47-A115 HydrophobicContact CG2-CB 3.82Å
48V97.8Very high97.7Very high16 Ų1646.2 Ų46.210%0.09726%0.262CS..THydrogen-bonded Turntrans-59-15.2171.5-65.30000113.5W131 P134 F137 R138 M141V48-W131 HydrophobicContact CG2-CH2 4.34Å; V48-W131 HydrophobicContact CG2-CZ3 3.88Å; V48-P134 HydrophobicContact CG1-CB 3.71Å; V48-F137 HydrophobicContact CB-CD1 3.94Å; V48-F137 HydrophobicContact CB-CE1 4.45Å; V48-F137 HydrophobicContact CG1-CD1 4.22Å; V48-F137 HydrophobicContact CG2-CD1 3.55Å; V48-F137 HydrophobicContact CG2-CE1 3.64Å; V48-F137 HydrophobicContact CG2-CG 4.48Å; V48-R138 VanDerWaalsContact C-NH1 3.33Å; V48-R138 HydrophobicContact CB-CB 4.39Å; V48-R138 HydrophobicContact CG1-CB 4.48Å; V48-R138 PolarHBondContact O-NH1 3.46Å; V48-M141 VanDerWaalsContact O-CE 3.32Å; V48-M141 WeakPolarHBondContact O-CE 3.48Å
49Y98Very high97.7Very high0 Ų047.3 Ų47.30%027%0.265CS..THydrogen-bonded Turntrans-93.4-6.8178.5-59.4-71000113.9G43 T47 G51 Q52 Y54 Y78 H79 L114 W131 F137 M141G43-Y49 WeakPolarHBondContact CA-O 3.47Å; T47-Y49 PolarHBondContact O-N 3.3Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.11Å; T47-Y49 PolarHBondContact OG1-N 3.07Å; T47-Y49 VanDerWaalsContact OG1-N 3.16Å; Y49-G51 PolarHBondContact O-N 3.11Å; Y49-Q52 WeakPolarHBondContact O-CB 3.3Å; Y49-Q52 WeakPolarHBondContact O-CG 3.18Å; Y49-Q52 PolarHBondContact O-N 3.4Å; Y49-Y54 HydrophobicContact CD1-CE2 4.04Å; Y49-Y54 AromaticContact CD1-CZ 3.91Å; Y49-Y54 VanDerWaalsContact CD1-OH 3.24Å; Y49-Y54 WeakPolarHBondContact CD1-OH 3.41Å; Y49-Y78 WeakPolarHBondContact CE1-O 3.29Å; Y49-Y78 PolarHBondContact OH-O 2.98Å; Y49-H79 AromaticContact CZ-CD2 3.76Å; Y49-H79 WeakPolarHBondContact OH-CA 3.35Å; Y49-H79 PolarHBondContact OH-CD2 2.96Å; Y49-L114 HydrophobicContact CD2-CB 3.89Å; Y49-L114 WeakPolarHBondContact CD2-O 3.32Å; Y49-L114 HydrophobicContact CE1-CD2 4.49Å; Y49-L114 HydrophobicContact CE2-CB 4.17Å; Y49-L114 WeakPolarHBondContact CE2-O 3.3Å; Y49-L114 HydrophobicContact CG-CB 4.32Å; Y49-W131 HydrophobicContact CE2-CH2 4.17Å; Y49-W131 AromaticContact CE2-CZ3 3.92Å; Y49-W131 HydrophobicContact CE2-CZ3 3.92Å; Y49-F137 HydrophobicContact CE1-CE1 4.21Å; Y49-F137 HydrophobicContact CE2-CE1 4.45Å; Y49-F137 AromaticContact CZ-CE1 3.78Å; Y49-F137 WeakPolarHBondContact OH-CE1 3.39Å; Y49-F137 WeakPolarHBondContact OH-CZ 3.4Å; Y49-M141 HydrophobicContact CD1-SD 3.52Å; Y49-M141 VanDerWaalsContact CD1-SD 3.52Å; Y49-M141 HydrophobicContact CE1-CG 4.49Å; Y49-M141 HydrophobicContact CE1-SD 3.59Å; Y49-M141 VanDerWaalsContact CE1-SD 3.59Å
50E97.5Very high97.7Very high89 Ų8947.5 Ų47.542%0.41627%0.266SS..THydrogen-bonded Turntrans-55.1132.8-180-174.7179.1151.800111.2G46 T47 Q52 R138G46-E50 PolarHBondContact N-OE2 2.88Å; T47-E50 WeakPolarHBondContact O-CB 3.14Å; T47-E50 PolarHBondContact O-N 2.75Å; E50-Q52 VanDerWaalsContact C-N 3.29Å; E50-R138 PolarHBondContact O-NH1 2.89Å; E50-R138 VanDerWaalsContact O-NH1 3.13Å; E50-R138 PolarHBondContact O-NH2 3.38Å
51G96.4Very high97.6Very high68 Ų6848.3 Ų48.370%0.70128%0.276SS*.THydrogen-bonded Turntrans84.5-8.8-175.500000114.9Y49Y49-G51 PolarHBondContact O-N 3.11Å
52Q96.9Very high97.4Very high44 Ų4453.4 Ų53.421%0.20631%0.309CS..  trans-86.1152.6176.2-57.4-55.7109.100112G43 Y49 E50 Y54 M141 M142G43-Q52 PolarHBondContact N-O 3.32Å; Y49-Q52 WeakPolarHBondContact O-CB 3.3Å; Y49-Q52 WeakPolarHBondContact O-CG 3.18Å; Y49-Q52 PolarHBondContact O-N 3.4Å; E50-Q52 VanDerWaalsContact C-N 3.29Å; Q52-Y54 HydrophobicContact CB-CE2 3.7Å; Q52-Y54 WeakPolarHBondContact CB-OH 3.43Å; Q52-M141 HydrophobicContact CG-CE 3.87Å; Q52-M142 HydrophobicContact CG-CE 4.43Å
53Q97.4Very high97.3Very high134 Ų13450.5 Ų50.563%0.62630%0.304SS*.EExtended strand (participates in β ladder)trans-128.5126.4173-175.5173.3-1900109.5S40S40-Q53 WeakPolarHBondContact OG-CG 3.4Å; S40-Q53 PolarHBondContact OG-NE2 3.02Å
54Y98.3Very high97.3Very high3 Ų350.8 Ų50.81%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-107143.6-179.6-63.4-75.8000110.4S40 I41 Y49 Q52 F73 S75 C77 L114 Q145S40-Y54 CarbonylContact C-O 3.23Å; S40-Y54 WeakPolarHBondContact CA-O 3.35Å; S40-Y54 PolarHBondContact OG-O 3.16Å; I41-Y54 PolarHBondContact N-O 2.77Å; I41-Y54 PolarHBondContact O-N 3.45Å; Y49-Y54 HydrophobicContact CD1-CE2 4.04Å; Y49-Y54 AromaticContact CD1-CZ 3.91Å; Y49-Y54 VanDerWaalsContact CD1-OH 3.24Å; Y49-Y54 WeakPolarHBondContact CD1-OH 3.41Å; Q52-Y54 HydrophobicContact CB-CE2 3.7Å; Q52-Y54 WeakPolarHBondContact CB-OH 3.43Å; Y54-F73 HydrophobicContact CD1-CD1 4.27Å; Y54-F73 HydrophobicContact CD1-CE1 4.16Å; Y54-F73 HydrophobicContact CG-CD1 4.35Å; Y54-F73 AromaticContact CG-CE1 3.91Å; Y54-F73 HydrophobicContact CG-CE1 3.91Å; Y54-S75 WeakPolarHBondContact CA-OG 3.43Å; Y54-C77 HydrophobicContact CD1-CB 4.01Å; Y54-C77 HydrophobicContact CE1-CB 4.03Å; Y54-L114 HydrophobicContact CD2-CD1 3.9Å; Y54-L114 HydrophobicContact CE2-CD1 4.07Å; Y54-Q145 VanDerWaalsContact CE1-OE1 3.23Å; Y54-Q145 PolarHBondContact OH-OE1 3.18Å
55K98.3Very high97.2Very high125 Ų12551.4 Ų51.454%0.54331%0.309SS..EExtended strand (participates in β ladder)trans-111.5135.9173.1-66.2-175.7179.2-176.60109.1A39 V74 S75A39-K55 CarbonylContact O-C 3.53Å; A39-K55 VanDerWaalsContact O-CA 3.3Å; A39-K55 WeakPolarHBondContact O-CA 3.17Å; K55-V74 HydrophobicContact CB-CB 4.41Å; K55-V74 PolarHBondContact O-N 3.21Å; K55-S75 PolarHBondContact N-OG 3.37Å; K55-S75 PolarHBondContact O-N 2.86Å; K55-S75 VanDerWaalsContact O-N 3.17Å; K55-S75 PolarHBondContact O-OG 3.4Å
56L98.6Very high97.2Very high0 Ų054.1 Ų54.10%031%0.312CS..EExtended strand (participates in β ladder)trans-127.7148.6179.5-58.191.4000109.9L38 A39 I41 L58 V71 R72 F73 I88 I110L38-L56 WeakPolarHBondContact CA-O 3.49Å; A39-L56 HydrophobicContact CB-CB 4.35Å; A39-L56 PolarHBondContact N-O 2.92Å; A39-L56 PolarHBondContact O-N 2.9Å; I41-L56 HydrophobicContact CB-CD1 4.24Å; I41-L56 HydrophobicContact CD1-CD1 3.64Å; I41-L56 HydrophobicContact CD1-CD2 4.26Å; I41-L56 HydrophobicContact CG1-CD1 3.73Å; L56-L58 HydrophobicContact CB-CD1 4.15Å; L56-V71 HydrophobicContact CB-CG1 4.47Å; L56-V71 HydrophobicContact CD2-CG1 3.89Å; L56-R72 CarbonylContact C-O 3.58Å; L56-R72 WeakPolarHBondContact CA-O 3.24Å; L56-R72 WeakPolarHBondContact CB-O 3.44Å; L56-F73 HydrophobicContact CD1-CD1 4.19Å; L56-F73 HydrophobicContact CD1-CE1 3.98Å; L56-F73 HydrophobicContact CD2-CD1 4.03Å; L56-F73 HydrophobicContact CD2-CD2 4.45Å; L56-F73 HydrophobicContact CD2-CE1 3.87Å; L56-F73 HydrophobicContact CD2-CE2 4.31Å; L56-F73 HydrophobicContact CD2-CG 4.33Å; L56-F73 HydrophobicContact CD2-CZ 4.02Å; L56-F73 HydrophobicContact CG-CD1 3.75Å; L56-F73 HydrophobicContact CG-CE1 3.89Å; L56-F73 HydrophobicContact CG-CG 4.29Å; L56-I88 HydrophobicContact CD2-CD1 3.99Å; L56-I110 HydrophobicContact CD2-CD1 4.09Å; L56-I110 HydrophobicContact CD2-CG2 4.12Å
57S98.1Very high97.3Very high42 Ų4253 Ų5329%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-100.6137.9165.657.70000109.1W37 V71 R72W37-S57 WeakPolarHBondContact O-CA 3.24Å; S57-V71 WeakPolarHBondContact O-CA 3.4Å; S57-R72 PolarHBondContact N-O 2.96Å; S57-R72 PolarHBondContact O-N 3.37Å; S57-R72 VanDerWaalsContact O-N 3.1Å
58L98.6Very high97.3Very high2 Ų253.3 Ų53.31%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-123.3125.6174.1-68.974.7000108H36 W37 A39 L56 F60 N70 V71 V103 L106 L107H36-L58 CarbonylContact C-O 3.32Å; H36-L58 WeakPolarHBondContact CA-O 3.45Å; W37-L58 HydrophobicContact CB-CB 4.27Å; W37-L58 PolarHBondContact N-O 3.33Å; W37-L58 PolarHBondContact O-N 3.27Å; A39-L58 HydrophobicContact CB-CD1 3.46Å; A39-L58 VanDerWaalsContact CB-CD1 3.46Å; L56-L58 HydrophobicContact CB-CD1 4.15Å; L58-F60 HydrophobicContact CB-CE2 4.09Å; L58-F60 HydrophobicContact CB-CZ 4.03Å; L58-F60 HydrophobicContact CD2-CZ 4.15Å; L58-N70 CarbonylContact C-O 3.47Å; L58-N70 WeakPolarHBondContact CA-O 3.47Å; L58-V71 HydrophobicContact CD1-CG1 4.43Å; L58-V71 HydrophobicContact CG-CG1 4.28Å; L58-V71 HydrophobicContact CG-CG2 3.99Å; L58-V103 HydrophobicContact CD2-CG1 3.88Å; L58-V103 HydrophobicContact CD2-CG2 4.3Å; L58-L106 HydrophobicContact CD2-CD2 4.41Å; L58-L107 HydrophobicContact CD1-CD2 4.39Å
59E97.9Very high97.3Very high97 Ų9752.8 Ų52.845%0.45329%0.292SS..EExtended strand (participates in β ladder)trans-119.5121.1176.6174.5171.6-149.200110.3T35 H36 P69 N70T35-E59 WeakPolarHBondContact O-CA 3.12Å; H36-E59 IonicContact CD2-OE1 3.62Å; H36-E59 IonicContact CE1-OE1 2.84Å; H36-E59 VanDerWaalsContact NE2-CD 3.29Å; H36-E59 WeakPolarHBondContact NE2-CG 3.48Å; H36-E59 IonicContact NE2-OE1 3.06Å; H36-E59 PolarHBondContact NE2-OE1 2.77Å; E59-P69 CarbonylContact O-C 3.44Å; E59-P69 WeakPolarHBondContact O-CA 3.19Å; E59-P69 WeakPolarHBondContact O-CB 3.45Å; E59-N70 HydrophobicContact CB-CB 4.22Å; E59-N70 PolarHBondContact N-O 3.24Å; E59-N70 PolarHBondContact O-N 3.27Å
60F97.6Very high97.3Very high7 Ų756 Ų563%0.03131%0.309CS..  trans-95.7110.6-175.2-56.2-86.2000110L10 T35 W37 L58 Y64 P69 V103L10-F60 HydrophobicContact CD1-CB 3.99Å; L10-F60 HydrophobicContact CD1-CD2 4Å; L10-F60 HydrophobicContact CD1-CG 3.92Å; L10-F60 HydrophobicContact CD2-CB 4.4Å; L10-F60 HydrophobicContact CD2-CD1 3.46Å; L10-F60 VanDerWaalsContact CD2-CD1 3.46Å; L10-F60 HydrophobicContact CD2-CD2 3.92Å; L10-F60 HydrophobicContact CD2-CE1 3.56Å; L10-F60 HydrophobicContact CD2-CE2 4.04Å; L10-F60 HydrophobicContact CD2-CG 3.65Å; L10-F60 HydrophobicContact CD2-CZ 3.86Å; L10-F60 HydrophobicContact CG-CG 4.45Å; T35-F60 WeakPolarHBondContact O-CD2 3.39Å; T35-F60 PolarHBondContact O-N 2.7Å; W37-F60 HydrophobicContact CB-CE2 4Å; W37-F60 AromaticContact CD1-CE2 3.55Å; W37-F60 AromaticContact CD2-CE2 3.77Å; W37-F60 HydrophobicContact CD2-CE2 3.77Å; W37-F60 HydrophobicContact CD2-CZ 4.01Å; W37-F60 AromaticContact CE2-CE2 3.97Å; W37-F60 HydrophobicContact CE3-CE2 4.46Å; W37-F60 HydrophobicContact CE3-CZ 4.25Å; W37-F60 AromaticContact CG-CE2 3.53Å; W37-F60 HydrophobicContact CG-CE2 3.53Å; W37-F60 HydrophobicContact CG-CZ 4.17Å; W37-F60 AromaticContact NE1-CE2 3.79Å; L58-F60 HydrophobicContact CB-CE2 4.09Å; L58-F60 HydrophobicContact CB-CZ 4.03Å; L58-F60 HydrophobicContact CD2-CZ 4.15Å; F60-Y64 HydrophobicContact CB-CG 4.36Å; F60-Y64 HydrophobicContact CD1-CD1 4.07Å; F60-Y64 AromaticContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CE1 4.04Å; F60-Y64 AromaticContact CD1-CE2 3.72Å; F60-Y64 HydrophobicContact CD1-CE2 3.72Å; F60-Y64 AromaticContact CD1-CG 3.91Å; F60-Y64 HydrophobicContact CD1-CG 3.91Å; F60-Y64 AromaticContact CD1-CZ 3.87Å; F60-Y64 HydrophobicContact CE1-CD2 4.45Å; F60-Y64 HydrophobicContact CE1-CE1 4.38Å; F60-Y64 AromaticContact CE1-CE2 3.99Å; F60-Y64 HydrophobicContact CE1-CE2 3.99Å; F60-Y64 AromaticContact CE1-CZ 3.94Å; F60-P69 HydrophobicContact CD1-CB 3.7Å; F60-P69 HydrophobicContact CD1-CG 4.34Å; F60-P69 HydrophobicContact CE1-CB 3.8Å; F60-P69 HydrophobicContact CE1-CG 4.07Å; F60-P69 HydrophobicContact CG-CB 4.36Å; F60-V103 HydrophobicContact CE1-CG2 3.64Å; F60-V103 HydrophobicContact CZ-CG2 3.58Å
61G95.5Very high97.3Very high31 Ų3152.3 Ų52.332%0.3229%0.293SS..  trans-70.1168.1176.100000113N63 Y64G61-N63 PolarHBondContact O-N 2.81Å; G61-N63 VanDerWaalsContact O-N 3.07Å; G61-Y64 VanDerWaalsContact O-CB 3.31Å; G61-Y64 WeakPolarHBondContact O-CB 3.41Å; G61-Y64 PolarHBondContact O-N 3.49Å
62P94.8Very high97.4Very high106 Ų10653.8 Ų53.869%0.68828%0.277SS*.THydrogen-bonded Turntrans-64.8-16.6-177.727.5-36.2000113.8N2N2-P62 PolarHBondContact ND2-O 3.17Å
63N95.5Very high97.5Very high74 Ų7452.2 Ų52.240%0.39627%0.27SS..THydrogen-bonded Turntrans-93.94.3177.9-162.440.6000113.2G61 Y66 S67G61-N63 PolarHBondContact O-N 2.81Å; G61-N63 VanDerWaalsContact O-N 3.07Å; N63-Y66 WeakPolarHBondContact O-CA 3.27Å; N63-Y66 WeakPolarHBondContact O-CB 3.31Å; N63-Y66 PolarHBondContact O-N 3.25Å; N63-S67 PolarHBondContact ND2-OG 3.44Å; N63-S67 PolarHBondContact O-N 2.96Å
64Y97.4Very high97.5Very high5 Ų550.1 Ų50.12%0.0227%0.266CS..THydrogen-bonded Turntrans-62.3134.4175.2-173.5-97000110.3V6 R9 L10 E13 F60 G61 S67 W97V6-Y64 HydrophobicContact CG1-CD1 4.44Å; V6-Y64 VanDerWaalsContact CG2-O 3.29Å; V6-Y64 WeakPolarHBondContact CG2-O 3.4Å; R9-Y64 HydrophobicContact CG-CD1 4.2Å; R9-Y64 HydrophobicContact CG-CE1 3.69Å; L10-Y64 HydrophobicContact CD2-CD1 3.88Å; L10-Y64 HydrophobicContact CD2-CE1 3.49Å; L10-Y64 VanDerWaalsContact CD2-CE1 3.49Å; L10-Y64 HydrophobicContact CG-CD1 4.35Å; L10-Y64 HydrophobicContact CG-CE1 4.28Å; E13-Y64 VanDerWaalsContact CD-OH 3.25Å; E13-Y64 PolarHBondContact OE1-OH 3.21Å; E13-Y64 PolarHBondContact OE2-OH 3.4Å; E13-Y64 VanDerWaalsContact OE2-OH 3.07Å; F60-Y64 HydrophobicContact CB-CG 4.36Å; F60-Y64 HydrophobicContact CD1-CD1 4.07Å; F60-Y64 AromaticContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CE1 4.04Å; F60-Y64 AromaticContact CD1-CE2 3.72Å; F60-Y64 HydrophobicContact CD1-CE2 3.72Å; F60-Y64 AromaticContact CD1-CG 3.91Å; F60-Y64 HydrophobicContact CD1-CG 3.91Å; F60-Y64 AromaticContact CD1-CZ 3.87Å; F60-Y64 HydrophobicContact CE1-CD2 4.45Å; F60-Y64 HydrophobicContact CE1-CE1 4.38Å; F60-Y64 AromaticContact CE1-CE2 3.99Å; F60-Y64 HydrophobicContact CE1-CE2 3.99Å; F60-Y64 AromaticContact CE1-CZ 3.94Å; G61-Y64 VanDerWaalsContact O-CB 3.31Å; G61-Y64 WeakPolarHBondContact O-CB 3.41Å; G61-Y64 PolarHBondContact O-N 3.49Å; Y64-S67 WeakPolarHBondContact CD2-O 3.45Å; Y64-W97 HydrophobicContact CD2-CZ2 4.3Å; Y64-W97 AromaticContact CE2-CH2 3.96Å; Y64-W97 HydrophobicContact CE2-CH2 3.96Å; Y64-W97 AromaticContact CE2-CZ2 3.62Å; Y64-W97 HydrophobicContact CE2-CZ2 3.62Å
65P96.6Very high97.4Very high21 Ų2151.5 Ų51.514%0.13628%0.276CS..THydrogen-bonded Turncis-945.210.239.2-38.9000115R9 S67 W97 P99R9-P65 VanDerWaalsContact NH1-CG 3.28Å; P65-S67 PolarHBondContact O-N 2.91Å; P65-W97 PolarHBondContact O-NE1 2.91Å; P65-P99 HydrophobicContact CB-CB 4.14Å; P65-P99 HydrophobicContact CG-CB 4.02Å; P65-P99 VanDerWaalsContact O-CA 3.27Å; P65-P99 WeakPolarHBondContact O-CA 3.2Å; P65-P99 WeakPolarHBondContact O-CB 3.36Å
66Y96.5Very high97.3Very high169 Ų16948.4 Ų48.466%0.66326%0.262SS*.THydrogen-bonded Turntrans-69.8-23.5179.5-59.3-75.3000113.1N63 P99N63-Y66 WeakPolarHBondContact O-CA 3.27Å; N63-Y66 WeakPolarHBondContact O-CB 3.31Å; N63-Y66 PolarHBondContact O-N 3.25Å; Y66-P99 HydrophobicContact CD1-CB 4.25Å; Y66-P99 HydrophobicContact CD1-CG 4.28Å
67S97.3Very high97.2Very high49 Ų4948.6 Ų48.634%0.34326%0.264SS..SBendtrans-114.2146.1166.9-61.50000110.4N63 Y64 P65N63-S67 PolarHBondContact ND2-OG 3.44Å; N63-S67 PolarHBondContact O-N 2.96Å; Y64-S67 WeakPolarHBondContact CD2-O 3.45Å; P65-S67 PolarHBondContact O-N 2.91Å
68P97.9Very high97.2Very high37 Ų3746.8 Ų46.824%0.2425%0.25CS..PPolyproline II helixtrans-64.3157.6176.125.8-32000111.3L93 W97P68-L93 WeakPolarHBondContact CG-O 3.43Å; P68-W97 VanDerWaalsContact CA-CE2 3.49Å; P68-W97 HydrophobicContact CB-CB 4.12Å; P68-W97 HydrophobicContact CB-CD2 3.49Å; P68-W97 VanDerWaalsContact CB-CD2 3.49Å; P68-W97 HydrophobicContact CB-CE3 3.74Å; P68-W97 HydrophobicContact CB-CG 3.65Å; P68-W97 HydrophobicContact CB-CZ3 4.38Å; P68-W97 HydrophobicContact CG-CB 4.12Å; P68-W97 HydrophobicContact CG-CD2 4.36Å; P68-W97 HydrophobicContact CG-CG 3.99Å
69P98Very high97.2Very high5 Ų546.7 Ų46.73%0.03225%0.25CC..PPolyproline II helixtrans-67.7153.7166.629.9-31.5000110.6E59 F60 V71 L106E59-P69 CarbonylContact O-C 3.44Å; E59-P69 WeakPolarHBondContact O-CA 3.19Å; E59-P69 WeakPolarHBondContact O-CB 3.45Å; F60-P69 HydrophobicContact CD1-CB 3.7Å; F60-P69 HydrophobicContact CD1-CG 4.34Å; F60-P69 HydrophobicContact CE1-CB 3.8Å; F60-P69 HydrophobicContact CE1-CG 4.07Å; F60-P69 HydrophobicContact CG-CB 4.36Å; P69-V71 HydrophobicContact CB-CG2 4.27Å; P69-V71 HydrophobicContact CG-CG2 3.85Å; P69-V71 PolarHBondContact O-N 2.88Å; P69-L106 HydrophobicContact CG-CD2 3.44Å; P69-L106 VanDerWaalsContact CG-CD2 3.44Å
70N98.2Very high97.2Very high69 Ų6942 Ų4237%0.36923%0.228SC..EExtended strand (participates in β ladder)trans-73.4119165.1-164.8-87.3000108.4L58 E59 R72L58-N70 CarbonylContact C-O 3.47Å; L58-N70 WeakPolarHBondContact CA-O 3.47Å; E59-N70 HydrophobicContact CB-CB 4.22Å; E59-N70 PolarHBondContact N-O 3.24Å; E59-N70 PolarHBondContact O-N 3.27Å; N70-R72 PolarHBondContact ND2-NH2 3.37Å; N70-R72 PolarHBondContact OD1-NE 3.49Å; N70-R72 PolarHBondContact OD1-NH2 3.33Å
71V98.6Very high97.3Very high10 Ų1041.8 Ų41.86%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-120.3131.9-177.6-171.90000111L56 S57 L58 P69 I88 L93 L106 I110L56-V71 HydrophobicContact CB-CG1 4.47Å; L56-V71 HydrophobicContact CD2-CG1 3.89Å; S57-V71 WeakPolarHBondContact O-CA 3.4Å; L58-V71 HydrophobicContact CD1-CG1 4.43Å; L58-V71 HydrophobicContact CG-CG1 4.28Å; L58-V71 HydrophobicContact CG-CG2 3.99Å; P69-V71 HydrophobicContact CB-CG2 4.27Å; P69-V71 HydrophobicContact CG-CG2 3.85Å; P69-V71 PolarHBondContact O-N 2.88Å; V71-I88 HydrophobicContact CG1-CD1 4.13Å; V71-L93 HydrophobicContact CB-CD1 4.38Å; V71-L93 HydrophobicContact CB-CD2 3.98Å; V71-L93 HydrophobicContact CG2-CD2 3.67Å; V71-L106 HydrophobicContact CG2-CD2 3.84Å; V71-I110 HydrophobicContact CG1-CD1 3.84Å
72R98.3Very high97.4Very high99 Ų9940.4 Ų40.437%0.37421%0.212SC..EExtended strand (participates in β ladder)trans-143.5149.5175.3-59-179.9-159.9-114-0.6111.2L56 S57 N70 V74 G86L56-R72 CarbonylContact C-O 3.58Å; L56-R72 WeakPolarHBondContact CA-O 3.24Å; L56-R72 WeakPolarHBondContact CB-O 3.44Å; S57-R72 PolarHBondContact N-O 2.96Å; S57-R72 PolarHBondContact O-N 3.37Å; S57-R72 VanDerWaalsContact O-N 3.1Å; N70-R72 PolarHBondContact ND2-NH2 3.37Å; N70-R72 PolarHBondContact OD1-NE 3.49Å; N70-R72 PolarHBondContact OD1-NH2 3.33Å; R72-V74 PolarHBondContact O-N 3.23Å; R72-G86 CarbonylContact C-O 3.58Å; R72-G86 VanDerWaalsContact CA-O 3.28Å; R72-G86 WeakPolarHBondContact CA-O 3.26Å
73F98.4Very high97.5Very high12 Ų1236.5 Ų36.55%0.05319%0.186CC..EExtended strand (participates in β ladder)trans-70.7127.4166-75.8-82.3000110.4Y54 L56 S75 C77 V82 G86 I88 I110 L114Y54-F73 HydrophobicContact CD1-CD1 4.27Å; Y54-F73 HydrophobicContact CD1-CE1 4.16Å; Y54-F73 HydrophobicContact CG-CD1 4.35Å; Y54-F73 AromaticContact CG-CE1 3.91Å; Y54-F73 HydrophobicContact CG-CE1 3.91Å; L56-F73 HydrophobicContact CD1-CD1 4.19Å; L56-F73 HydrophobicContact CD1-CE1 3.98Å; L56-F73 HydrophobicContact CD2-CD1 4.03Å; L56-F73 HydrophobicContact CD2-CD2 4.45Å; L56-F73 HydrophobicContact CD2-CE1 3.87Å; L56-F73 HydrophobicContact CD2-CE2 4.31Å; L56-F73 HydrophobicContact CD2-CG 4.33Å; L56-F73 HydrophobicContact CD2-CZ 4.02Å; L56-F73 HydrophobicContact CG-CD1 3.75Å; L56-F73 HydrophobicContact CG-CE1 3.89Å; L56-F73 HydrophobicContact CG-CG 4.29Å; F73-S75 WeakPolarHBondContact CB-O 3.5Å; F73-C77 HydrophobicContact CB-CB 4.22Å; F73-C77 HydrophobicContact CD1-CB 3.85Å; F73-C77 HydrophobicContact CD2-CB 4.03Å; F73-C77 HydrophobicContact CE1-CB 4.18Å; F73-C77 HydrophobicContact CE2-CB 4.35Å; F73-C77 HydrophobicContact CG-CB 3.77Å; F73-C77 HydrophobicContact CZ-CB 4.42Å; F73-V82 HydrophobicContact CD2-CG1 3.74Å; F73-V82 HydrophobicContact CD2-CG2 3.94Å; F73-V82 HydrophobicContact CE2-CG1 4.3Å; F73-V82 HydrophobicContact CE2-CG2 3.63Å; F73-G86 PolarHBondContact N-O 2.59Å; F73-I88 HydrophobicContact CD2-CD1 3.69Å; F73-I88 HydrophobicContact CD2-CG1 3.66Å; F73-I88 HydrophobicContact CE2-CD1 3.48Å; F73-I88 VanDerWaalsContact CE2-CD1 3.48Å; F73-I88 HydrophobicContact CE2-CG1 3.67Å; F73-I88 HydrophobicContact CZ-CD1 4.36Å; F73-I110 HydrophobicContact CE2-CG2 4.32Å; F73-I110 HydrophobicContact CZ-CG2 3.86Å; F73-L114 HydrophobicContact CZ-CD2 4.32Å
74V97.3Very high97.4Very high90 Ų9038.6 Ų38.655%0.54520%0.202SC..SBendtrans-89.9-38.2170.5177.70000109.9K55 R72K55-V74 HydrophobicContact CB-CB 4.41Å; K55-V74 PolarHBondContact O-N 3.21Å; R72-V74 PolarHBondContact O-N 3.23Å
75S95.9Very high97.3Very high31 Ų3147.1 Ų47.122%0.21723%0.234CC..SBendtrans-74146.6167.857.20000110.4Y54 K55 F73 C77Y54-S75 WeakPolarHBondContact CA-OG 3.43Å; K55-S75 PolarHBondContact N-OG 3.37Å; K55-S75 PolarHBondContact O-N 2.86Å; K55-S75 VanDerWaalsContact O-N 3.17Å; K55-S75 PolarHBondContact O-OG 3.4Å; F73-S75 WeakPolarHBondContact CB-O 3.5Å; S75-C77 PolarHBondContact O-N 3.3Å
76K95.7Very high97.3Very high60 Ų6046.4 Ų46.426%0.26123%0.23SC..  trans-55.7125.9168.5-70.7-175.1177.6179.40110.2F144 Q145 S147 S148 S149K76-F144 HydrophobicContact CB-CD1 4.08Å; K76-F144 HydrophobicContact CB-CE1 3.73Å; K76-F144 HydrophobicContact CD-CE1 4.47Å; K76-F144 WeakPolarHBondContact CD-O 3.35Å; K76-F144 HydrophobicContact CG-CE1 4.25Å; K76-Q145 HydrophobicContact CB-CG 4.38Å; K76-S147 PolarHBondContact NZ-O 3.07Å; K76-S147 PolarHBondContact NZ-OG 2.92Å; K76-S148 PolarHBondContact NZ-O 2.94Å; K76-S149 WeakPolarHBondContact CE-OG 3.35Å
77C97.6Very high97.4Very high5 Ų540.3 Ų40.33%0.03421%0.21CC..  trans-126.4117.3176.4-176.40000108.7Y54 F73 S75 V82Y54-C77 HydrophobicContact CD1-CB 4.01Å; Y54-C77 HydrophobicContact CE1-CB 4.03Å; F73-C77 HydrophobicContact CB-CB 4.22Å; F73-C77 HydrophobicContact CD1-CB 3.85Å; F73-C77 HydrophobicContact CD2-CB 4.03Å; F73-C77 HydrophobicContact CE1-CB 4.18Å; F73-C77 HydrophobicContact CE2-CB 4.35Å; F73-C77 HydrophobicContact CG-CB 3.77Å; F73-C77 HydrophobicContact CZ-CB 4.42Å; S75-C77 PolarHBondContact O-N 3.3Å; C77-V82 HydrophobicContact CB-CG1 4.23Å
78Y97.9Very high97.5Very high3 Ų338.5 Ų38.51%0.01220%0.197CC..  trans-94.4103.4174.5-172.3-95.6000108.6Y49 Q126 A127 F137 E140 M141 F144Y49-Y78 WeakPolarHBondContact CE1-O 3.29Å; Y49-Y78 PolarHBondContact OH-O 2.98Å; Y78-Q126 VanDerWaalsContact OH-CD 3.3Å; Y78-Q126 WeakPolarHBondContact OH-CG 3.48Å; Y78-A127 HydrophobicContact CD1-CB 3.98Å; Y78-A127 HydrophobicContact CE1-CB 3.53Å; Y78-A127 HydrophobicContact CE2-CB 4.4Å; Y78-A127 PolarHBondContact OH-N 3.24Å; Y78-F137 AromaticContact CD1-CE1 3.96Å; Y78-F137 HydrophobicContact CD1-CE1 3.96Å; Y78-F137 HydrophobicContact CD1-CE2 4.12Å; Y78-F137 AromaticContact CD1-CZ 3.68Å; Y78-F137 HydrophobicContact CD1-CZ 3.68Å; Y78-F137 HydrophobicContact CE1-CD2 4.3Å; Y78-F137 HydrophobicContact CE1-CE1 4.44Å; Y78-F137 AromaticContact CE1-CE2 3.95Å; Y78-F137 HydrophobicContact CE1-CE2 3.95Å; Y78-F137 HydrophobicContact CE1-CZ 4Å; Y78-E140 HydrophobicContact CE1-CB 4.38Å; Y78-E140 HydrophobicContact CE1-CG 4.33Å; Y78-E140 HydrophobicContact CE2-CG 4.16Å; Y78-M141 HydrophobicContact CD1-CB 3.95Å; Y78-M141 HydrophobicContact CG-CB 4.31Å; Y78-F144 HydrophobicContact CD2-CB 3.85Å; Y78-F144 HydrophobicContact CD2-CD1 4.14Å; Y78-F144 HydrophobicContact CD2-CD2 4.07Å; Y78-F144 AromaticContact CD2-CG 3.76Å; Y78-F144 HydrophobicContact CD2-CG 3.76Å; Y78-F144 HydrophobicContact CG-CB 4.31Å; Y78-F144 HydrophobicContact CG-CD1 4.45Å; Y78-F144 HydrophobicContact CG-CG 4.38Å
79H98.4Very high97.4Very high0 Ų038.4 Ų38.40%020%0.196CC..  trans-153.3143.7-173.4-178.2-87.8000110.6Y49 N81 V82 L113 N124Y49-H79 AromaticContact CZ-CD2 3.76Å; Y49-H79 WeakPolarHBondContact OH-CA 3.35Å; Y49-H79 PolarHBondContact OH-CD2 2.96Å; H79-N81 VanDerWaalsContact C-N 3.26Å; H79-N81 PolarHBondContact CE1-OD1 3.36Å; H79-N81 VanDerWaalsContact CE1-OD1 3.28Å; H79-N81 PolarHBondContact ND1-N 3.34Å; H79-N81 PolarHBondContact O-N 2.93Å; H79-V82 HydrophobicContact CB-CB 4.08Å; H79-V82 HydrophobicContact CB-CG2 3.84Å; H79-V82 PolarHBondContact O-N 2.93Å; H79-V82 VanDerWaalsContact O-N 3.11Å; H79-L113 PolarHBondContact NE2-O 3.05Å; H79-N124 WeakPolarHBondContact O-CB 3.39Å
80P98.3Very high97.4Very high0 Ų039.3 Ų39.30%020%0.201CC..THydrogen-bonded Turntrans-51.8-40.6-179.7-30.337.5000114.4P117 N119 P122 L123 N124 A127 A128 W131P80-P117 HydrophobicContact CB-CB 3.87Å; P80-P117 HydrophobicContact CG-CB 3.63Å; P80-P117 HydrophobicContact CG-CG 4.01Å; P80-N119 VanDerWaalsContact CB-OD1 3.29Å; P80-N119 WeakPolarHBondContact CB-OD1 3.35Å; P80-N119 WeakPolarHBondContact CG-OD1 3.46Å; P80-P122 HydrophobicContact CB-CB 4.31Å; P80-P122 CarbonylContact O-C 3.6Å; P80-P122 VanDerWaalsContact O-CA 3.31Å; P80-P122 WeakPolarHBondContact O-CA 3.39Å; P80-P122 WeakPolarHBondContact O-CB 3.19Å; P80-L123 PolarHBondContact O-N 3.18Å; P80-N124 PolarHBondContact O-N 3.48Å; P80-A127 HydrophobicContact CG-CB 4.1Å; P80-A128 HydrophobicContact CB-CB 4.1Å; P80-A128 HydrophobicContact CG-CB 4.48Å; P80-W131 HydrophobicContact CG-CE3 4.48Å
81N98.5Very high97.2Very high2 Ų239.9 Ų39.91%0.01120%0.204CC..THydrogen-bonded Turntrans-95.917.8-178.4-52.8105.6000115H79 C89 L113 P117 N118H79-N81 VanDerWaalsContact C-N 3.26Å; H79-N81 PolarHBondContact CE1-OD1 3.36Å; H79-N81 VanDerWaalsContact CE1-OD1 3.28Å; H79-N81 PolarHBondContact ND1-N 3.34Å; H79-N81 PolarHBondContact O-N 2.93Å; N81-C89 HydrophobicContact CB-CB 4.3Å; N81-C89 PolarHBondContact O-N 2.87Å; N81-L113 HydrophobicContact CB-CD1 4.38Å; N81-L113 HydrophobicContact CB-CD2 4.18Å; N81-P117 WeakPolarHBondContact OD1-CA 3.36Å; N81-N118 PolarHBondContact ND2-O 2.88Å; N81-N118 PolarHBondContact OD1-N 3Å; N81-N118 PolarHBondContact OD1-O 3.23Å
82V98.4Very high97.1Very high1 Ų140.8 Ų40.81%0.00621%0.208CC..BIsolated β-bridgetrans-125.7129.7177.9-176.20000110.1F73 C77 H79 V87 I88F73-V82 HydrophobicContact CD2-CG1 3.74Å; F73-V82 HydrophobicContact CD2-CG2 3.94Å; F73-V82 HydrophobicContact CE2-CG1 4.3Å; F73-V82 HydrophobicContact CE2-CG2 3.63Å; C77-V82 HydrophobicContact CB-CG1 4.23Å; H79-V82 HydrophobicContact CB-CB 4.08Å; H79-V82 HydrophobicContact CB-CG2 3.84Å; H79-V82 PolarHBondContact O-N 2.93Å; H79-V82 VanDerWaalsContact O-N 3.11Å; V82-V87 VanDerWaalsContact CA-O 3.29Å; V82-V87 WeakPolarHBondContact CA-O 3.37Å; V82-I88 HydrophobicContact CG2-CG1 4.4Å
83D96.7Very high97Very high25 Ų2537.3 Ų37.313%0.13420%0.197CC..  trans-80.917117587.8-6.5000112.3R85 G86 V87 L123D83-R85 PolarHBondContact O-N 3.28Å; D83-R85 VanDerWaalsContact O-N 3.08Å; D83-R85 VanDerWaalsContact OD1-C 3.29Å; D83-R85 VanDerWaalsContact OD1-CA 3.29Å; D83-R85 WeakPolarHBondContact OD1-CA 3.29Å; D83-R85 WeakPolarHBondContact OD1-CB 3.42Å; D83-R85 PolarHBondContact OD1-N 3.45Å; D83-R85 IonicContact OD2-CZ 3.87Å; D83-R85 IonicContact OD2-NE 3.74Å; D83-R85 PolarHBondContact OD2-NE 2.84Å; D83-R85 IonicContact OD2-NH2 3.42Å; D83-R85 PolarHBondContact OD2-NH2 2.97Å; D83-G86 PolarHBondContact O-N 2.98Å; D83-G86 PolarHBondContact OD1-N 2.84Å; D83-V87 HydrophobicContact CB-CB 4.46Å; D83-V87 PolarHBondContact N-O 2.88Å; D83-V87 WeakPolarHBondContact OD1-CB 3.36Å; D83-V87 PolarHBondContact OD1-N 3.11Å; D83-L123 HydrophobicContact CB-CB 4.2Å; D83-L123 HydrophobicContact CB-CD1 4.23Å
84T93.9Very high96.9Very high118 Ų11842.3 Ų42.372%0.72422%0.219SC*.THydrogen-bonded Turntrans-64.9-12.5-179.453.40000114.4F144T84-F144 HydrophobicContact CG2-CE2 4.45Å
85R95.5Very high96.8Very high184 Ų18444.1 Ų44.169%0.69422%0.221SC*.THydrogen-bonded Turntrans-1005.3176.2-57.2172.6-63.4-179.4-0.3112.1D83D83-R85 PolarHBondContact O-N 3.28Å; D83-R85 VanDerWaalsContact O-N 3.08Å; D83-R85 VanDerWaalsContact OD1-C 3.29Å; D83-R85 VanDerWaalsContact OD1-CA 3.29Å; D83-R85 WeakPolarHBondContact OD1-CA 3.29Å; D83-R85 WeakPolarHBondContact OD1-CB 3.42Å; D83-R85 PolarHBondContact OD1-N 3.45Å; D83-R85 IonicContact OD2-CZ 3.87Å; D83-R85 IonicContact OD2-NE 3.74Å; D83-R85 PolarHBondContact OD2-NE 2.84Å; D83-R85 IonicContact OD2-NH2 3.42Å; D83-R85 PolarHBondContact OD2-NH2 2.97Å
86G97.2Very high96.8Very high6 Ų648.3 Ų48.36%0.06224%0.239CC..  trans80.811.9179.600000114.8R72 F73 D83R72-G86 CarbonylContact C-O 3.58Å; R72-G86 VanDerWaalsContact CA-O 3.28Å; R72-G86 WeakPolarHBondContact CA-O 3.26Å; F73-G86 PolarHBondContact N-O 2.59Å; D83-G86 PolarHBondContact O-N 2.98Å; D83-G86 PolarHBondContact OD1-N 2.84Å
87V98Very high96.9Very high40 Ų4046.8 Ų46.824%0.24223%0.231CC..BIsolated β-bridgetrans-68.7132.3173.2178.40000109.3V82 D83 L123V82-V87 VanDerWaalsContact CA-O 3.29Å; V82-V87 WeakPolarHBondContact CA-O 3.37Å; D83-V87 HydrophobicContact CB-CB 4.46Å; D83-V87 PolarHBondContact N-O 2.88Å; D83-V87 WeakPolarHBondContact OD1-CB 3.36Å; D83-V87 PolarHBondContact OD1-N 3.11Å; V87-L123 WeakPolarHBondContact O-CD1 3.41Å
88I98.2Very high97Very high11 Ų1148.5 Ų48.56%0.05624%0.243CC..BIsolated β-bridgetrans-104.1129.7-177.2-51.3174.1000109.2L56 V71 F73 V82 L90 L93 I110 L113L56-I88 HydrophobicContact CD2-CD1 3.99Å; V71-I88 HydrophobicContact CG1-CD1 4.13Å; F73-I88 HydrophobicContact CD2-CD1 3.69Å; F73-I88 HydrophobicContact CD2-CG1 3.66Å; F73-I88 HydrophobicContact CE2-CD1 3.48Å; F73-I88 VanDerWaalsContact CE2-CD1 3.48Å; F73-I88 HydrophobicContact CE2-CG1 3.67Å; F73-I88 HydrophobicContact CZ-CD1 4.36Å; V82-I88 HydrophobicContact CG2-CG1 4.4Å; I88-L90 HydrophobicContact CG2-CB 3.87Å; I88-L93 HydrophobicContact CB-CD1 3.97Å; I88-L93 HydrophobicContact CG2-CD1 4.2Å; I88-I110 HydrophobicContact CD1-CD1 4.06Å; I88-I110 HydrophobicContact CD1-CG1 4.44Å; I88-I110 HydrophobicContact CD1-CG2 4.26Å; I88-L113 HydrophobicContact CG2-CD2 3.79Å
89C97.2Very high96.9Very high35 Ų3550.5 Ų50.524%0.23626%0.257CS..  trans-91.3102.1164.4-163.70000109N81 L123N81-C89 HydrophobicContact CB-CB 4.3Å; N81-C89 PolarHBondContact O-N 2.87Å; C89-L123 HydrophobicContact CB-CD1 3.82Å; C89-L123 HydrophobicContact CB-CD2 4.44Å; C89-L123 HydrophobicContact CB-CG 3.94Å
90L96.6Very high96.9Very high25 Ų2557.8 Ų57.813%0.13130%0.295CS..  trans-149.6129.8178.1179.563.2000109.6I88 I92 L93 I110 L113I88-L90 HydrophobicContact CG2-CB 3.87Å; L90-I92 VanDerWaalsContact C-N 3.28Å; L90-I92 HydrophobicContact CD2-CD1 4.05Å; L90-I92 HydrophobicContact CD2-CG1 3.56Å; L90-I92 HydrophobicContact CG-CG1 3.71Å; L90-I92 PolarHBondContact O-N 2.87Å; L90-L93 HydrophobicContact CB-CD1 4.19Å; L90-L93 HydrophobicContact CB-CG 4.46Å; L90-L93 WeakPolarHBondContact O-CB 3.47Å; L90-L93 PolarHBondContact O-N 2.78Å; L90-I110 HydrophobicContact CD2-CG1 3.73Å; L90-L113 HydrophobicContact CB-CD2 4.18Å; L90-L113 HydrophobicContact CD1-CD1 4.28Å; L90-L113 HydrophobicContact CD1-CD2 4.21Å; L90-L113 HydrophobicContact CD2-CD2 4.46Å
91D95.2Very high96.8Very high81 Ų8159.8 Ų59.843%0.43331%0.306SS..G310 helixtrans-63.6-32.5-170.5-59.6-9.6000112.9L93 K94 E95 M96D91-L93 PolarHBondContact O-N 3.1Å; D91-K94 CarbonylContact O-C 3.57Å; D91-K94 WeakPolarHBondContact O-CA 3.37Å; D91-K94 PolarHBondContact O-N 3.2Å; D91-E95 VanDerWaalsContact CB-OE1 3.22Å; D91-E95 WeakPolarHBondContact CB-OE1 3.29Å; D91-E95 VanDerWaalsContact CG-OE1 3.3Å; D91-E95 PolarHBondContact O-N 2.79Å; D91-M96 HydrophobicContact CB-CB 4.13Å; D91-M96 HydrophobicContact CB-CG 3.78Å; D91-M96 PolarHBondContact O-N 2.94Å
92I96.1Very high96.7Very high28 Ų2860.9 Ų60.914%0.14431%0.312CS..G310 helixtrans-68.6-14.6177.270.8155000113.2L90 M96 W97 L106L90-I92 VanDerWaalsContact C-N 3.28Å; L90-I92 HydrophobicContact CD2-CD1 4.05Å; L90-I92 HydrophobicContact CD2-CG1 3.56Å; L90-I92 HydrophobicContact CG-CG1 3.71Å; L90-I92 PolarHBondContact O-N 2.87Å; I92-M96 HydrophobicContact CG2-CB 4.06Å; I92-W97 WeakPolarHBondContact O-CA 3.35Å; I92-W97 VanDerWaalsContact O-CB 3.27Å; I92-W97 WeakPolarHBondContact O-CB 3.31Å; I92-L106 HydrophobicContact CD1-CD1 3.46Å; I92-L106 VanDerWaalsContact CD1-CD1 3.46Å; I92-L106 HydrophobicContact CG1-CD1 4.1Å
93L96.7Very high96.7Very high26 Ų2660.9 Ų60.914%0.13631%0.312CS..G310 helixtrans-85.43.1170.9-67.9172.7000112.2P68 V71 I88 L90 D91 L106P68-L93 WeakPolarHBondContact CG-O 3.43Å; V71-L93 HydrophobicContact CB-CD1 4.38Å; V71-L93 HydrophobicContact CB-CD2 3.98Å; V71-L93 HydrophobicContact CG2-CD2 3.67Å; I88-L93 HydrophobicContact CB-CD1 3.97Å; I88-L93 HydrophobicContact CG2-CD1 4.2Å; L90-L93 HydrophobicContact CB-CD1 4.19Å; L90-L93 HydrophobicContact CB-CG 4.46Å; L90-L93 WeakPolarHBondContact O-CB 3.47Å; L90-L93 PolarHBondContact O-N 2.78Å; D91-L93 PolarHBondContact O-N 3.1Å; L93-L106 HydrophobicContact CD2-CD1 3.6Å; L93-L106 HydrophobicContact CD2-CD2 4.32Å; L93-L106 HydrophobicContact CG-CD1 4.26Å
94K94.9Very high96.7Very high118 Ų11861.7 Ų61.751%0.51332%0.315SS..THydrogen-bonded Turntrans-140-114.2-174.5-61.8178.5-173168.10109.9D91 M96 W97D91-K94 CarbonylContact O-C 3.57Å; D91-K94 WeakPolarHBondContact O-CA 3.37Å; D91-K94 PolarHBondContact O-N 3.2Å; K94-M96 PolarHBondContact O-N 2.87Å; K94-W97 WeakPolarHBondContact O-CB 3.37Å; K94-W97 PolarHBondContact O-N 2.87Å
95E95.6Very high96.9Very high127 Ų12759.1 Ų59.159%0.59330%0.297SS*.THydrogen-bonded Turntrans-70.4-26.1-172.366.1-74167.500114.3D91 W97D91-E95 VanDerWaalsContact CB-OE1 3.22Å; D91-E95 WeakPolarHBondContact CB-OE1 3.29Å; D91-E95 VanDerWaalsContact CG-OE1 3.3Å; D91-E95 PolarHBondContact O-N 2.79Å; E95-W97 VanDerWaalsContact C-N 3.33Å
96M96.9Very high97Very high120 Ų12050.4 Ų50.459%0.59126%0.264SS*.THydrogen-bonded Turntrans-91.24.4178.3-63.4-60.8-66.100112.9D91 I92 K94D91-M96 HydrophobicContact CB-CB 4.13Å; D91-M96 HydrophobicContact CB-CG 3.78Å; D91-M96 PolarHBondContact O-N 2.94Å; I92-M96 HydrophobicContact CG2-CB 4.06Å; K94-M96 PolarHBondContact O-N 2.87Å
97W98.2Very high97.1Very high27 Ų2750.1 Ų50.110%0.10226%0.261CS..  trans-64.8137.1172.6-179.7-102.7000110.7Y64 P65 P68 I92 K94 E95 L101 L106Y64-W97 HydrophobicContact CD2-CZ2 4.3Å; Y64-W97 AromaticContact CE2-CH2 3.96Å; Y64-W97 HydrophobicContact CE2-CH2 3.96Å; Y64-W97 AromaticContact CE2-CZ2 3.62Å; Y64-W97 HydrophobicContact CE2-CZ2 3.62Å; P65-W97 PolarHBondContact O-NE1 2.91Å; P68-W97 VanDerWaalsContact CA-CE2 3.49Å; P68-W97 HydrophobicContact CB-CB 4.12Å; P68-W97 HydrophobicContact CB-CD2 3.49Å; P68-W97 VanDerWaalsContact CB-CD2 3.49Å; P68-W97 HydrophobicContact CB-CE3 3.74Å; P68-W97 HydrophobicContact CB-CG 3.65Å; P68-W97 HydrophobicContact CB-CZ3 4.38Å; P68-W97 HydrophobicContact CG-CB 4.12Å; P68-W97 HydrophobicContact CG-CD2 4.36Å; P68-W97 HydrophobicContact CG-CG 3.99Å; I92-W97 WeakPolarHBondContact O-CA 3.35Å; I92-W97 VanDerWaalsContact O-CB 3.27Å; I92-W97 WeakPolarHBondContact O-CB 3.31Å; K94-W97 WeakPolarHBondContact O-CB 3.37Å; K94-W97 PolarHBondContact O-N 2.87Å; E95-W97 VanDerWaalsContact C-N 3.33Å; W97-L101 HydrophobicContact CE3-CB 4.41Å; W97-L101 HydrophobicContact CE3-CD1 3.98Å; W97-L101 HydrophobicContact CH2-CB 4.19Å; W97-L101 HydrophobicContact CZ3-CB 4.03Å; W97-L101 HydrophobicContact CZ3-CD1 4.31Å; W97-L106 HydrophobicContact CZ3-CB 4.45Å; W97-L106 HydrophobicContact CZ3-CD2 4.14Å
98S97.8Very high97.1Very high41 Ų4150.4 Ų50.429%0.28726%0.261SS..  trans-130.6140.3172.1169.10000109.8L100 L101S98-L100 PolarHBondContact O-N 3.02Å; S98-L100 PolarHBondContact OG-N 2.98Å; S98-L101 WeakPolarHBondContact O-CB 3.47Å; S98-L101 PolarHBondContact O-N 2.98Å
99P96.9Very high97.1Very high46 Ų4652 Ų5230%0.29927%0.274SS..THydrogen-bonded Turntrans-62.7-9.6175.325.2-33.8000113.9R9 P65 Y66R9-P99 PolarHBondContact NH1-O 2.85Å; R9-P99 PolarHBondContact NH2-O 2.98Å; R9-P99 VanDerWaalsContact NH2-O 3.15Å; P65-P99 HydrophobicContact CB-CB 4.14Å; P65-P99 HydrophobicContact CG-CB 4.02Å; P65-P99 VanDerWaalsContact O-CA 3.27Å; P65-P99 WeakPolarHBondContact O-CA 3.2Å; P65-P99 WeakPolarHBondContact O-CB 3.36Å; Y66-P99 HydrophobicContact CD1-CB 4.25Å; Y66-P99 HydrophobicContact CD1-CG 4.28Å
100L97.3Very high97.1Very high152 Ų15250.4 Ų50.480%0.79626%0.262SS*.THydrogen-bonded Turntrans-79.5-20.4172-60.2178.7000113S98S98-L100 PolarHBondContact O-N 3.02Å; S98-L100 PolarHBondContact OG-N 2.98Å
101L97.8Very high97.2Very high43 Ų4351.8 Ų51.823%0.22527%0.266CS..  trans-71.7142.8176.8-62.2174000110.4R9 W97 S98 N105R9-L101 PolarHBondContact NH2-O 3.37Å; W97-L101 HydrophobicContact CE3-CB 4.41Å; W97-L101 HydrophobicContact CE3-CD1 3.98Å; W97-L101 HydrophobicContact CH2-CB 4.19Å; W97-L101 HydrophobicContact CZ3-CB 4.03Å; W97-L101 HydrophobicContact CZ3-CD1 4.31Å; S98-L101 WeakPolarHBondContact O-CB 3.47Å; S98-L101 PolarHBondContact O-N 2.98Å; L101-N105 HydrophobicContact CD2-CB 4.1Å
102T96.6Very high97.3Very high24 Ų2450.9 Ų50.915%0.14727%0.266CS..  trans-102.7168.7174.263.70000111.2E13 E104 N105 L106E13-T102 HydrophobicContact CG-CG2 4.34Å; E13-T102 WeakPolarHBondContact OE2-CA 3.16Å; T102-E104 PolarHBondContact O-N 3Å; T102-E104 PolarHBondContact OG1-N 2.85Å; T102-N105 PolarHBondContact N-OD1 3.25Å; T102-N105 PolarHBondContact O-N 3.21Å; T102-N105 VanDerWaalsContact OG1-CG 3.28Å; T102-N105 PolarHBondContact OG1-N 3.08Å; T102-N105 PolarHBondContact OG1-OD1 3.06Å; T102-L106 WeakPolarHBondContact O-CB 3.36Å; T102-L106 PolarHBondContact O-N 3.33Å
103V97.7Very high97.4Very high1 Ų150.4 Ų50.41%0.00626%0.264CS..Hα-helixtrans-55.3-38.3168.61700000111E13 L17 A27 W37 L58 F60 L106 L107E13-V103 WeakPolarHBondContact OE2-CB 3.28Å; E13-V103 WeakPolarHBondContact OE2-CG2 3.49Å; E13-V103 PolarHBondContact OE2-N 3.34Å; L17-V103 HydrophobicContact CD1-CB 4.37Å; L17-V103 HydrophobicContact CD1-CG1 3.79Å; A27-V103 HydrophobicContact CB-CG1 4.14Å; W37-V103 HydrophobicContact CE3-CG1 4.03Å; W37-V103 HydrophobicContact CE3-CG2 4.3Å; W37-V103 HydrophobicContact CH2-CG2 4.5Å; W37-V103 HydrophobicContact CZ3-CB 4.1Å; W37-V103 HydrophobicContact CZ3-CG1 3.86Å; W37-V103 HydrophobicContact CZ3-CG2 3.96Å; L58-V103 HydrophobicContact CD2-CG1 3.88Å; L58-V103 HydrophobicContact CD2-CG2 4.3Å; F60-V103 HydrophobicContact CE1-CG2 3.64Å; F60-V103 HydrophobicContact CZ-CG2 3.58Å; V103-L106 PolarHBondContact O-N 3.13Å; V103-L107 HydrophobicContact CG1-CD1 3.79Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CB 3.38Å; V103-L107 VanDerWaalsContact O-CG 3.24Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 2.92Å
104E97.3Very high97.5Very high43 Ų4349.3 Ų49.320%0.20126%0.258CS..Hα-helixtrans-62-49.8175.7-177.3175.2-160.300111.4L17 S20 V25 T102 L106 L107 L108L17-E104 HydrophobicContact CD1-CB 4.23Å; S20-E104 VanDerWaalsContact CB-OE1 3.27Å; S20-E104 WeakPolarHBondContact CB-OE1 3.41Å; S20-E104 PolarHBondContact OG-OE1 3.18Å; V25-E104 HydrophobicContact CG2-CG 4.48Å; T102-E104 PolarHBondContact O-N 3Å; T102-E104 PolarHBondContact OG1-N 2.85Å; E104-L106 VanDerWaalsContact C-N 3.27Å; E104-L106 PolarHBondContact O-N 2.79Å; E104-L107 PolarHBondContact O-N 3.41Å; E104-L108 HydrophobicContact CG-CD1 3.92Å; E104-L108 HydrophobicContact CG-CG 4.4Å; E104-L108 WeakPolarHBondContact O-CB 3.48Å; E104-L108 VanDerWaalsContact O-CG 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.39Å; E104-L108 PolarHBondContact O-N 3.33Å
105N97.1Very high97.6Very high64 Ų6445.1 Ų45.134%0.34225%0.245SC..Hα-helixtrans-58.3-43.4177.6-56.4127.2000111.4L101 T102 L108 S109L101-N105 HydrophobicContact CD2-CB 4.1Å; T102-N105 PolarHBondContact N-OD1 3.25Å; T102-N105 PolarHBondContact O-N 3.21Å; T102-N105 VanDerWaalsContact OG1-CG 3.28Å; T102-N105 PolarHBondContact OG1-N 3.08Å; T102-N105 PolarHBondContact OG1-OD1 3.06Å; N105-L108 PolarHBondContact O-N 3.08Å; N105-S109 WeakPolarHBondContact O-CB 3.45Å; N105-S109 PolarHBondContact O-N 3.41Å; N105-S109 PolarHBondContact O-OG 3.03Å; N105-S109 VanDerWaalsContact O-OG 3.13Å
106L98.3Very high97.6Very high0 Ų046.1 Ų46.10%025%0.25CC..Hα-helixtrans-59.9-48.8178.1175.455.7000112.1L58 P69 V71 I92 L93 W97 T102 V103 E104 S109 I110L58-L106 HydrophobicContact CD2-CD2 4.41Å; P69-L106 HydrophobicContact CG-CD2 3.44Å; P69-L106 VanDerWaalsContact CG-CD2 3.44Å; V71-L106 HydrophobicContact CG2-CD2 3.84Å; I92-L106 HydrophobicContact CD1-CD1 3.46Å; I92-L106 VanDerWaalsContact CD1-CD1 3.46Å; I92-L106 HydrophobicContact CG1-CD1 4.1Å; L93-L106 HydrophobicContact CD2-CD1 3.6Å; L93-L106 HydrophobicContact CD2-CD2 4.32Å; L93-L106 HydrophobicContact CG-CD1 4.26Å; W97-L106 HydrophobicContact CZ3-CB 4.45Å; W97-L106 HydrophobicContact CZ3-CD2 4.14Å; T102-L106 WeakPolarHBondContact O-CB 3.36Å; T102-L106 PolarHBondContact O-N 3.33Å; V103-L106 PolarHBondContact O-N 3.13Å; E104-L106 VanDerWaalsContact C-N 3.27Å; E104-L106 PolarHBondContact O-N 2.79Å; L106-S109 PolarHBondContact O-N 2.86Å; L106-I110 HydrophobicContact CD1-CD1 4.06Å; L106-I110 HydrophobicContact CD1-CG1 4.42Å; L106-I110 HydrophobicContact CG-CD1 4.25Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 3.38Å
107L98.4Very high97.6Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-66.7-38.2179.7-66.7173.3000112.1L17 V25 A27 A39 I41 L58 V103 E104 I110 R111L17-L107 HydrophobicContact CD1-CD1 4.19Å; V25-L107 HydrophobicContact CB-CB 3.86Å; V25-L107 HydrophobicContact CB-CD1 4.26Å; V25-L107 HydrophobicContact CG1-CB 3.89Å; V25-L107 HydrophobicContact CG2-CB 4.22Å; A27-L107 HydrophobicContact CB-CD1 3.95Å; A39-L107 HydrophobicContact CB-CD1 3.85Å; A39-L107 HydrophobicContact CB-CD2 3.58Å; A39-L107 HydrophobicContact CB-CG 4.38Å; I41-L107 HydrophobicContact CD1-CB 4.36Å; I41-L107 HydrophobicContact CD1-CD2 4.02Å; I41-L107 WeakPolarHBondContact CD1-O 3.29Å; I41-L107 HydrophobicContact CG1-CB 4.48Å; I41-L107 HydrophobicContact CG1-CD2 4.24Å; L58-L107 HydrophobicContact CD1-CD2 4.39Å; V103-L107 HydrophobicContact CG1-CD1 3.79Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CB 3.38Å; V103-L107 VanDerWaalsContact O-CG 3.24Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 2.92Å; E104-L107 PolarHBondContact O-N 3.41Å; L107-I110 PolarHBondContact O-N 2.93Å; L107-R111 WeakPolarHBondContact O-CB 3.37Å; L107-R111 PolarHBondContact O-N 3.37Å
108L97.7Very high97.3Very high47 Ų4743.5 Ų43.525%0.24624%0.241CC..Hα-helixtrans-64.2-41174.5-70.8173.3000111.7D22 V25 E104 N105 R111 S112D22-L108 WeakPolarHBondContact OD2-CD2 3.22Å; V25-L108 HydrophobicContact CG1-CD2 4.04Å; V25-L108 HydrophobicContact CG2-CD2 4.07Å; V25-L108 HydrophobicContact CG2-CG 4.23Å; E104-L108 HydrophobicContact CG-CD1 3.92Å; E104-L108 HydrophobicContact CG-CG 4.4Å; E104-L108 WeakPolarHBondContact O-CB 3.48Å; E104-L108 VanDerWaalsContact O-CG 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.39Å; E104-L108 PolarHBondContact O-N 3.33Å; N105-L108 PolarHBondContact O-N 3.08Å; L108-R111 WeakPolarHBondContact O-CB 3.32Å; L108-R111 PolarHBondContact O-N 3.41Å; L108-S112 PolarHBondContact O-N 3.49Å; L108-S112 PolarHBondContact O-OG 3.17Å
109S97.9Very high97.1Very high45 Ų4544.3 Ų44.332%0.31524%0.242SC..Hα-helixtrans-64.8-39.7174.7-67.60000112.7N105 L106 R111 S112 L113N105-S109 WeakPolarHBondContact O-CB 3.45Å; N105-S109 PolarHBondContact O-N 3.41Å; N105-S109 PolarHBondContact O-OG 3.03Å; N105-S109 VanDerWaalsContact O-OG 3.13Å; L106-S109 PolarHBondContact O-N 2.86Å; S109-R111 VanDerWaalsContact C-N 3.31Å; S109-S112 PolarHBondContact O-N 2.72Å; S109-L113 PolarHBondContact O-N 2.77Å
110I98.5Very high96.9Very high1 Ų149 Ų491%0.00527%0.265CS..Hα-helixtrans-64.7-39.1172.9-66.1166.9000110.5I41 L56 V71 F73 I88 L90 L106 L107 L113 L114I41-I110 HydrophobicContact CD1-CB 3.9Å; I41-I110 HydrophobicContact CD1-CG2 3.65Å; L56-I110 HydrophobicContact CD2-CD1 4.09Å; L56-I110 HydrophobicContact CD2-CG2 4.12Å; V71-I110 HydrophobicContact CG1-CD1 3.84Å; F73-I110 HydrophobicContact CE2-CG2 4.32Å; F73-I110 HydrophobicContact CZ-CG2 3.86Å; I88-I110 HydrophobicContact CD1-CD1 4.06Å; I88-I110 HydrophobicContact CD1-CG1 4.44Å; I88-I110 HydrophobicContact CD1-CG2 4.26Å; L90-I110 HydrophobicContact CD2-CG1 3.73Å; L106-I110 HydrophobicContact CD1-CD1 4.06Å; L106-I110 HydrophobicContact CD1-CG1 4.42Å; L106-I110 HydrophobicContact CG-CD1 4.25Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 3.38Å; L107-I110 PolarHBondContact O-N 2.93Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 3.16Å; I110-L114 PolarHBondContact O-N 3.46Å
111R98.2Very high96.6Very high54 Ų5445.9 Ų45.920%0.20426%0.256CS..Hα-helixtrans-62.4-42.5174.8-179.5175.6172.7-875111.6S24 I41 R42 P44 L107 L108 S109 L113 L114S24-R111 WeakPolarHBondContact OG-CD 3.48Å; I41-R111 HydrophobicContact CG2-CB 3.7Å; I41-R111 HydrophobicContact CG2-CG 3.86Å; R42-R111 PolarHBondContact O-NE 3.35Å; P44-R111 HydrophobicContact CG-CG 3.79Å; P44-R111 VanDerWaalsContact CG-O 3.29Å; P44-R111 WeakPolarHBondContact CG-O 3.5Å; L107-R111 WeakPolarHBondContact O-CB 3.37Å; L107-R111 PolarHBondContact O-N 3.37Å; L108-R111 WeakPolarHBondContact O-CB 3.32Å; L108-R111 PolarHBondContact O-N 3.41Å; S109-R111 VanDerWaalsContact C-N 3.31Å; R111-L113 VanDerWaalsContact C-N 3.35Å; R111-L114 WeakPolarHBondContact O-CB 3.28Å; R111-L114 PolarHBondContact O-N 2.97Å
112S97.7Very high96.5Very high61 Ų6146.1 Ų46.143%0.42726%0.26SS..Hα-helixtrans-64.9-38.7174.9-63.20000112.1L108 S109 L114 A115 E116L108-S112 PolarHBondContact O-N 3.49Å; L108-S112 PolarHBondContact O-OG 3.17Å; S109-S112 PolarHBondContact O-N 2.72Å; S112-L114 PolarHBondContact O-N 2.9Å; S112-A115 WeakPolarHBondContact O-CA 3.34Å; S112-A115 WeakPolarHBondContact O-CB 3.42Å; S112-A115 PolarHBondContact O-N 3.4Å; S112-E116 PolarHBondContact O-N 2.75Å
113L98Very high96.5Very high19 Ų1948.6 Ų48.610%0.09927%0.272CS..Hα-helixtrans-55.6-38.1174.3-178.869.1000111.6H79 N81 I88 L90 S109 I110 R111 A115 E116H79-L113 PolarHBondContact NE2-O 3.05Å; N81-L113 HydrophobicContact CB-CD1 4.38Å; N81-L113 HydrophobicContact CB-CD2 4.18Å; I88-L113 HydrophobicContact CG2-CD2 3.79Å; L90-L113 HydrophobicContact CB-CD2 4.18Å; L90-L113 HydrophobicContact CD1-CD1 4.28Å; L90-L113 HydrophobicContact CD1-CD2 4.21Å; L90-L113 HydrophobicContact CD2-CD2 4.46Å; S109-L113 PolarHBondContact O-N 2.77Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 3.16Å; R111-L113 VanDerWaalsContact C-N 3.35Å; L113-A115 VanDerWaalsContact C-N 3.25Å; L113-A115 PolarHBondContact O-N 2.83Å; L113-E116 CarbonylContact O-C 3.52Å; L113-E116 VanDerWaalsContact O-C 3.23Å; L113-E116 PolarHBondContact O-N 2.85Å
114L98.1Very high96.5Very high2 Ų249.7 Ų49.71%0.0128%0.278CS..Hα-helixtrans-59-36174.6-62.5176.7000112.4I41 P44 Y49 Y54 F73 I110 R111 S112I41-L114 HydrophobicContact CG2-CD1 4.25Å; P44-L114 HydrophobicContact CG-CB 4.31Å; Y49-L114 HydrophobicContact CD2-CB 3.89Å; Y49-L114 WeakPolarHBondContact CD2-O 3.32Å; Y49-L114 HydrophobicContact CE1-CD2 4.49Å; Y49-L114 HydrophobicContact CE2-CB 4.17Å; Y49-L114 WeakPolarHBondContact CE2-O 3.3Å; Y49-L114 HydrophobicContact CG-CB 4.32Å; Y54-L114 HydrophobicContact CD2-CD1 3.9Å; Y54-L114 HydrophobicContact CE2-CD1 4.07Å; F73-L114 HydrophobicContact CZ-CD2 4.32Å; I110-L114 PolarHBondContact O-N 3.46Å; R111-L114 WeakPolarHBondContact O-CB 3.28Å; R111-L114 PolarHBondContact O-N 2.97Å; S112-L114 PolarHBondContact O-N 2.9Å
115A97Very high96.5Very high30 Ų3049.9 Ų49.925%0.24829%0.291CS..Hα-helixtrans-79.9-30.3177.400000112.5P44 T47 S112 L113 W131P44-A115 HydrophobicContact CB-CB 4.37Å; P44-A115 HydrophobicContact CG-CB 4.19Å; T47-A115 HydrophobicContact CG2-CB 3.82Å; S112-A115 WeakPolarHBondContact O-CA 3.34Å; S112-A115 WeakPolarHBondContact O-CB 3.42Å; S112-A115 PolarHBondContact O-N 3.4Å; L113-A115 VanDerWaalsContact C-N 3.25Å; L113-A115 PolarHBondContact O-N 2.83Å; A115-W131 WeakPolarHBondContact O-CZ2 3.43Å
116E96.1Very high96.5Very high149 Ų14951.2 Ų51.270%0.69630%0.295SS*.SBendtrans-132.874.3-168.7-64.5176.6-126.100110.7S112 L113S112-E116 PolarHBondContact O-N 2.75Å; L113-E116 CarbonylContact O-C 3.52Å; L113-E116 VanDerWaalsContact O-C 3.23Å; L113-E116 PolarHBondContact O-N 2.85Å
117P96.3Very high96.4Very high19 Ų1951.2 Ų51.212%0.12330%0.295CS..  trans-70.1147.9179.626.2-32.5000112.1P80 N81 N119 W131P80-P117 HydrophobicContact CB-CB 3.87Å; P80-P117 HydrophobicContact CG-CB 3.63Å; P80-P117 HydrophobicContact CG-CG 4.01Å; N81-P117 WeakPolarHBondContact OD1-CA 3.36Å; P117-N119 PolarHBondContact O-N 2.89Å; P117-W131 VanDerWaalsContact CD-CE2 3.43Å; P117-W131 HydrophobicContact CG-CD2 3.46Å; P117-W131 VanDerWaalsContact CG-CD2 3.46Å; P117-W131 HydrophobicContact CG-CE3 3.85Å; P117-W131 HydrophobicContact CG-CG 4.02Å; P117-W131 HydrophobicContact CG-CH2 3.8Å; P117-W131 HydrophobicContact CG-CZ2 3.43Å; P117-W131 VanDerWaalsContact CG-CZ2 3.43Å; P117-W131 HydrophobicContact CG-CZ3 4Å
118N93.6Very high96.4Very high73 Ų7352.1 Ų52.139%0.3930%0.303SS..  trans-85.7105.8164.8-179.1-11.8000110N81 D120N81-N118 PolarHBondContact ND2-O 2.88Å; N81-N118 PolarHBondContact OD1-N 3Å; N81-N118 PolarHBondContact OD1-O 3.23Å; N118-D120 VanDerWaalsContact OD1-CB 3.32Å; N118-D120 WeakPolarHBondContact OD1-CB 3.45Å; N118-D120 PolarHBondContact OD1-N 3.28Å
119N93.6Very high96.4Very high57 Ų5757.3 Ų57.331%0.30533%0.326SS..  trans-88.4-0.8179.4-68.3-47.6000114.2P80 P117 P122 A128P80-N119 VanDerWaalsContact CB-OD1 3.29Å; P80-N119 WeakPolarHBondContact CB-OD1 3.35Å; P80-N119 WeakPolarHBondContact CG-OD1 3.46Å; P117-N119 PolarHBondContact O-N 2.89Å; N119-P122 WeakPolarHBondContact O-CD 2.86Å; N119-A128 HydrophobicContact CB-CB 4.45Å; N119-A128 WeakPolarHBondContact OD1-CA 3.27Å; N119-A128 WeakPolarHBondContact OD1-CB 3.48Å
120D91.7Very high96.4Very high145 Ų14557.1 Ų57.178%0.77532%0.321SS*.SBendtrans-75.5-27.1-179.4-62.6-23.7000112N118N118-D120 VanDerWaalsContact OD1-CB 3.32Å; N118-D120 WeakPolarHBondContact OD1-CB 3.45Å; N118-D120 PolarHBondContact OD1-N 3.28Å
121S90.9Very high96.3Very high86 Ų8660.2 Ų60.260%0.60133%0.333SS*.SBendtrans-144.769.7177.9-69.50000111.4
122P95.4Very high96.2Very high48 Ų4862.8 Ų62.831%0.31236%0.359SS..  trans-76.7143.5-174.932.3-34.6000111.7P80 N119 N124 A128P80-P122 HydrophobicContact CB-CB 4.31Å; P80-P122 CarbonylContact O-C 3.6Å; P80-P122 VanDerWaalsContact O-CA 3.31Å; P80-P122 WeakPolarHBondContact O-CA 3.39Å; P80-P122 WeakPolarHBondContact O-CB 3.19Å; N119-P122 WeakPolarHBondContact O-CD 2.86Å; P122-N124 VanDerWaalsContact C-N 3.34Å; P122-A128 HydrophobicContact CB-CB 3.65Å; P122-A128 HydrophobicContact CG-CB 3.75Å
123L97.3Very high96.2Very high77 Ų7763.8 Ų63.840%0.40336%0.359SS..SBendtrans-77.7-25.3165.4-62.4-175.3000111.5P80 D83 V87 C89P80-L123 PolarHBondContact O-N 3.18Å; D83-L123 HydrophobicContact CB-CB 4.2Å; D83-L123 HydrophobicContact CB-CD1 4.23Å; V87-L123 WeakPolarHBondContact O-CD1 3.41Å; C89-L123 HydrophobicContact CB-CD1 3.82Å; C89-L123 HydrophobicContact CB-CD2 4.44Å; C89-L123 HydrophobicContact CB-CG 3.94Å
124N97.4Very high96.1Very high24 Ų2466.4 Ų66.413%0.12838%0.378CS..  trans-122.795.1177.1-177.5-16.9000109.9H79 P80 P122 Q126 A127 A128H79-N124 WeakPolarHBondContact O-CB 3.39Å; P80-N124 PolarHBondContact O-N 3.48Å; P122-N124 VanDerWaalsContact C-N 3.34Å; N124-Q126 VanDerWaalsContact C-N 3.3Å; N124-Q126 PolarHBondContact O-N 3.03Å; N124-Q126 PolarHBondContact OD1-N 2.83Å; N124-A127 HydrophobicContact CB-CB 4.03Å; N124-A127 PolarHBondContact O-N 3.18Å; N124-A127 PolarHBondContact OD1-N 2.84Å; N124-A128 PolarHBondContact O-N 3.26Å; N124-A128 VanDerWaalsContact O-N 3.11Å
125G97Very high96.1Very high47 Ų4770.6 Ų70.649%0.48541%0.407SS..Hα-helixtrans-62.8-32.9-178.600000114A128 Q129G125-A128 PolarHBondContact O-N 3.12Å; G125-Q129 WeakPolarHBondContact O-CB 3.41Å; G125-Q129 PolarHBondContact O-N 3.48Å
126Q96.6Very high96.2Very high91 Ų9170.8 Ų70.843%0.42541%0.408SS..Hα-helixtrans-67.3-43.2178.2-168.5-169.4-12.900111Y78 N124 Q129 L130 E140Y78-Q126 VanDerWaalsContact OH-CD 3.3Å; Y78-Q126 WeakPolarHBondContact OH-CG 3.48Å; N124-Q126 VanDerWaalsContact C-N 3.3Å; N124-Q126 PolarHBondContact O-N 3.03Å; N124-Q126 PolarHBondContact OD1-N 2.83Å; Q126-Q129 PolarHBondContact O-N 3.07Å; Q126-L130 HydrophobicContact CG-CD1 4.45Å; Q126-L130 WeakPolarHBondContact O-CG 3.44Å; Q126-L130 PolarHBondContact O-N 2.86Å; Q126-L130 VanDerWaalsContact O-N 3.07Å; Q126-E140 PolarHBondContact NE2-OE1 3.38Å; Q126-E140 VanDerWaalsContact NE2-OE1 3.11Å
127A97.8Very high96.3Very high0 Ų063.7 Ų63.70%038%0.376CS..Hα-helixtrans-62.6-43.9175.500000111.1Y78 P80 N124 Q129 L130 W131 F137Y78-A127 HydrophobicContact CD1-CB 3.98Å; Y78-A127 HydrophobicContact CE1-CB 3.53Å; Y78-A127 HydrophobicContact CE2-CB 4.4Å; Y78-A127 PolarHBondContact OH-N 3.24Å; P80-A127 HydrophobicContact CG-CB 4.1Å; N124-A127 HydrophobicContact CB-CB 4.03Å; N124-A127 PolarHBondContact O-N 3.18Å; N124-A127 PolarHBondContact OD1-N 2.84Å; A127-Q129 PolarHBondContact O-N 2.86Å; A127-L130 PolarHBondContact O-N 3.02Å; A127-W131 PolarHBondContact O-N 2.92Å; A127-W131 VanDerWaalsContact O-N 3.08Å; A127-F137 HydrophobicContact CB-CE2 3.8Å; A127-F137 HydrophobicContact CB-CZ 4.25Å; A127-F137 WeakPolarHBondContact O-CD2 3.2Å; A127-F137 VanDerWaalsContact O-CE2 3.29Å; A127-F137 WeakPolarHBondContact O-CE2 3.38Å
128A97.6Very high96.3Very high19 Ų1967 Ų6716%0.15739%0.385CS..Hα-helixtrans-60.5-43.2177.100000112.4P80 N119 P122 N124 G125 L130 W131P80-A128 HydrophobicContact CB-CB 4.1Å; P80-A128 HydrophobicContact CG-CB 4.48Å; N119-A128 HydrophobicContact CB-CB 4.45Å; N119-A128 WeakPolarHBondContact OD1-CA 3.27Å; N119-A128 WeakPolarHBondContact OD1-CB 3.48Å; P122-A128 HydrophobicContact CB-CB 3.65Å; P122-A128 HydrophobicContact CG-CB 3.75Å; N124-A128 PolarHBondContact O-N 3.26Å; N124-A128 VanDerWaalsContact O-N 3.11Å; G125-A128 PolarHBondContact O-N 3.12Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 2.66Å; A128-W131 WeakPolarHBondContact O-CB 3.22Å; A128-W131 PolarHBondContact O-N 2.63Å
129Q97.2Very high96.5Very high157 Ų15767.3 Ų67.373%0.73439%0.39SS*.Hα-helixtrans-63.5-38.3177.8-173.5-178.99.700112.6G125 Q126 A127 W131G125-Q129 WeakPolarHBondContact O-CB 3.41Å; G125-Q129 PolarHBondContact O-N 3.48Å; Q126-Q129 PolarHBondContact O-N 3.07Å; A127-Q129 PolarHBondContact O-N 2.86Å; Q129-W131 VanDerWaalsContact C-N 3.34Å
130L97.5Very high96.7Very high41 Ų4167 Ų6722%0.21539%0.387CS..Hα-helixtrans-81.8-9.6-179.8-70.2178.8000113.7Q126 A127 A128 S132 N133 A136 F137 E140Q126-L130 HydrophobicContact CG-CD1 4.45Å; Q126-L130 WeakPolarHBondContact O-CG 3.44Å; Q126-L130 PolarHBondContact O-N 2.86Å; Q126-L130 VanDerWaalsContact O-N 3.07Å; A127-L130 PolarHBondContact O-N 3.02Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 2.66Å; L130-S132 PolarHBondContact O-N 3.15Å; L130-S132 VanDerWaalsContact O-N 3.16Å; L130-N133 CarbonylContact O-C 3.56Å; L130-N133 WeakPolarHBondContact O-CA 3.44Å; L130-N133 PolarHBondContact O-N 2.81Å; L130-A136 HydrophobicContact CD2-CB 4.01Å; L130-F137 HydrophobicContact CB-CB 4.2Å; L130-F137 HydrophobicContact CB-CD2 3.95Å; L130-E140 HydrophobicContact CD1-CB 3.95Å; L130-E140 HydrophobicContact CD1-CG 4.22Å
131W97.5Very high97Very high66 Ų6660.1 Ų60.125%0.2535%0.35CS..THydrogen-bonded Turntrans-56.3-36.3-172.2-174.4-112.2000113.7V48 Y49 P80 A115 P117 A127 A128 Q129 N133 F137V48-W131 HydrophobicContact CG2-CH2 4.34Å; V48-W131 HydrophobicContact CG2-CZ3 3.88Å; Y49-W131 HydrophobicContact CE2-CH2 4.17Å; Y49-W131 AromaticContact CE2-CZ3 3.92Å; Y49-W131 HydrophobicContact CE2-CZ3 3.92Å; P80-W131 HydrophobicContact CG-CE3 4.48Å; A115-W131 WeakPolarHBondContact O-CZ2 3.43Å; P117-W131 VanDerWaalsContact CD-CE2 3.43Å; P117-W131 HydrophobicContact CG-CD2 3.46Å; P117-W131 VanDerWaalsContact CG-CD2 3.46Å; P117-W131 HydrophobicContact CG-CE3 3.85Å; P117-W131 HydrophobicContact CG-CG 4.02Å; P117-W131 HydrophobicContact CG-CH2 3.8Å; P117-W131 HydrophobicContact CG-CZ2 3.43Å; P117-W131 VanDerWaalsContact CG-CZ2 3.43Å; P117-W131 HydrophobicContact CG-CZ3 4Å; A127-W131 PolarHBondContact O-N 2.92Å; A127-W131 VanDerWaalsContact O-N 3.08Å; A128-W131 WeakPolarHBondContact O-CB 3.22Å; A128-W131 PolarHBondContact O-N 2.63Å; Q129-W131 VanDerWaalsContact C-N 3.34Å; W131-N133 PolarHBondContact O-N 3.21Å; W131-F137 AromaticContact CE3-CD2 3.98Å; W131-F137 HydrophobicContact CE3-CD2 3.98Å; W131-F137 AromaticContact CE3-CE2 3.7Å; W131-F137 HydrophobicContact CE3-CE2 3.7Å; W131-F137 HydrophobicContact CE3-CZ 4.06Å; W131-F137 HydrophobicContact CZ3-CE1 4.41Å; W131-F137 HydrophobicContact CZ3-CE2 4.24Å; W131-F137 HydrophobicContact CZ3-CZ 4.14Å
132S96.4Very high97.2Very high108 Ų10859.1 Ų59.176%0.75534%0.336SS*.THydrogen-bonded Turntrans-72.6-8.4177.260.60000114.4L130 P134L130-S132 PolarHBondContact O-N 3.15Å; L130-S132 VanDerWaalsContact O-N 3.16Å; S132-P134 WeakPolarHBondContact O-CD 3.33Å
133N97.5Very high97.2Very high81 Ų8162.8 Ų62.843%0.43335%0.348SS..  trans-122.485.1177.1-174.2-19.9000110.4L130 W131 S135 A136 F137L130-N133 CarbonylContact O-C 3.56Å; L130-N133 WeakPolarHBondContact O-CA 3.44Å; L130-N133 PolarHBondContact O-N 2.81Å; W131-N133 PolarHBondContact O-N 3.21Å; N133-S135 VanDerWaalsContact C-N 3.25Å; N133-S135 PolarHBondContact O-N 3.01Å; N133-S135 VanDerWaalsContact O-N 3.14Å; N133-A136 HydrophobicContact CB-CB 4.1Å; N133-A136 PolarHBondContact O-N 2.97Å; N133-A136 VanDerWaalsContact O-N 3.14Å; N133-A136 PolarHBondContact OD1-N 3.29Å; N133-A136 VanDerWaalsContact OD1-N 3.17Å; N133-F137 WeakPolarHBondContact O-CB 3.4Å; N133-F137 PolarHBondContact O-N 2.91Å
134P96.6Very high97.1Very high75 Ų7561.4 Ų61.449%0.48734%0.338SS..Hα-helixtrans-54.4-36.6-175.1-29.936.5000114.5V48 S132 R138V48-P134 HydrophobicContact CG1-CB 3.71Å; S132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-R138 VanDerWaalsContact O-CB 3.26Å; P134-R138 WeakPolarHBondContact O-CB 3.37Å; P134-R138 PolarHBondContact O-N 3.1Å
135S97.4Very high96.8Very high90 Ų9062.1 Ų62.163%0.62934%0.341SS*.Hα-helixtrans-68.2-45.9179.9-59.50000112.2N133 T139N133-S135 VanDerWaalsContact C-N 3.25Å; N133-S135 PolarHBondContact O-N 3.01Å; N133-S135 VanDerWaalsContact O-N 3.14Å; S135-T139 WeakPolarHBondContact O-CB 3.41Å; S135-T139 PolarHBondContact O-N 3.27Å; S135-T139 VanDerWaalsContact O-N 3.09Å; S135-T139 PolarHBondContact O-OG1 3.43Å
136A97.9Very high96.5Very high33 Ų3363.7 Ų63.727%0.27335%0.349SS..Hα-helixtrans-67.4-42.8176.100000110.9L130 N133 T139 E140L130-A136 HydrophobicContact CD2-CB 4.01Å; N133-A136 HydrophobicContact CB-CB 4.1Å; N133-A136 PolarHBondContact O-N 2.97Å; N133-A136 VanDerWaalsContact O-N 3.14Å; N133-A136 PolarHBondContact OD1-N 3.29Å; N133-A136 VanDerWaalsContact OD1-N 3.17Å; A136-T139 WeakPolarHBondContact O-CB 3.47Å; A136-T139 PolarHBondContact O-N 2.88Å; A136-E140 PolarHBondContact O-N 3.12Å
137F98.4Very high96.1Very high1 Ų162 Ų620%0.00435%0.347CS..Hα-helixtrans-56.3-53.5175.3-171.2-77.4000111.4V48 Y49 Y78 A127 L130 W131 N133 T139 E140 M141V48-F137 HydrophobicContact CB-CD1 3.94Å; V48-F137 HydrophobicContact CB-CE1 4.45Å; V48-F137 HydrophobicContact CG1-CD1 4.22Å; V48-F137 HydrophobicContact CG2-CD1 3.55Å; V48-F137 HydrophobicContact CG2-CE1 3.64Å; V48-F137 HydrophobicContact CG2-CG 4.48Å; Y49-F137 HydrophobicContact CE1-CE1 4.21Å; Y49-F137 HydrophobicContact CE2-CE1 4.45Å; Y49-F137 AromaticContact CZ-CE1 3.78Å; Y49-F137 WeakPolarHBondContact OH-CE1 3.39Å; Y49-F137 WeakPolarHBondContact OH-CZ 3.4Å; Y78-F137 AromaticContact CD1-CE1 3.96Å; Y78-F137 HydrophobicContact CD1-CE1 3.96Å; Y78-F137 HydrophobicContact CD1-CE2 4.12Å; Y78-F137 AromaticContact CD1-CZ 3.68Å; Y78-F137 HydrophobicContact CD1-CZ 3.68Å; Y78-F137 HydrophobicContact CE1-CD2 4.3Å; Y78-F137 HydrophobicContact CE1-CE1 4.44Å; Y78-F137 AromaticContact CE1-CE2 3.95Å; Y78-F137 HydrophobicContact CE1-CE2 3.95Å; Y78-F137 HydrophobicContact CE1-CZ 4Å; A127-F137 HydrophobicContact CB-CE2 3.8Å; A127-F137 HydrophobicContact CB-CZ 4.25Å; A127-F137 WeakPolarHBondContact O-CD2 3.2Å; A127-F137 VanDerWaalsContact O-CE2 3.29Å; A127-F137 WeakPolarHBondContact O-CE2 3.38Å; L130-F137 HydrophobicContact CB-CB 4.2Å; L130-F137 HydrophobicContact CB-CD2 3.95Å; W131-F137 AromaticContact CE3-CD2 3.98Å; W131-F137 HydrophobicContact CE3-CD2 3.98Å; W131-F137 AromaticContact CE3-CE2 3.7Å; W131-F137 HydrophobicContact CE3-CE2 3.7Å; W131-F137 HydrophobicContact CE3-CZ 4.06Å; W131-F137 HydrophobicContact CZ3-CE1 4.41Å; W131-F137 HydrophobicContact CZ3-CE2 4.24Å; W131-F137 HydrophobicContact CZ3-CZ 4.14Å; N133-F137 WeakPolarHBondContact O-CB 3.4Å; N133-F137 PolarHBondContact O-N 2.91Å; F137-T139 VanDerWaalsContact C-N 3.29Å; F137-T139 PolarHBondContact O-N 3.3Å; F137-E140 PolarHBondContact O-N 3.04Å; F137-M141 HydrophobicContact CD1-CB 4.35Å; F137-M141 HydrophobicContact CE1-CB 4.22Å; F137-M141 HydrophobicContact CE1-SD 4.45Å; F137-M141 WeakPolarHBondContact O-CB 3.43Å; F137-M141 PolarHBondContact O-N 2.93Å
138R97.5Very high94.7Very high88 Ų8866.6 Ų66.633%0.33238%0.38SS..Hα-helixtrans-62-38.5-178.4-170.8173.6-179.2106-5.2111.5V48 E50 P134 M141 M142V48-R138 VanDerWaalsContact C-NH1 3.33Å; V48-R138 HydrophobicContact CB-CB 4.39Å; V48-R138 HydrophobicContact CG1-CB 4.48Å; V48-R138 PolarHBondContact O-NH1 3.46Å; E50-R138 PolarHBondContact O-NH1 2.89Å; E50-R138 VanDerWaalsContact O-NH1 3.13Å; E50-R138 PolarHBondContact O-NH2 3.38Å; P134-R138 VanDerWaalsContact O-CB 3.26Å; P134-R138 WeakPolarHBondContact O-CB 3.37Å; P134-R138 PolarHBondContact O-N 3.1Å; R138-M141 HydrophobicContact CG-CE 4.04Å; R138-M142 HydrophobicContact CG-CE 4.46Å; R138-M142 HydrophobicContact CG-CG 4.48Å; R138-M142 WeakPolarHBondContact O-CB 3.29Å; R138-M142 WeakPolarHBondContact O-CG 3.31Å; R138-M142 PolarHBondContact O-N 3.29Å
139T97.8Very high92.8Very high79 Ų7970 Ų7049%0.48540%0.402SS..Hα-helixtrans-59.5-47.9175.7-610000111.3S135 A136 F137 M142 K143S135-T139 WeakPolarHBondContact O-CB 3.41Å; S135-T139 PolarHBondContact O-N 3.27Å; S135-T139 VanDerWaalsContact O-N 3.09Å; S135-T139 PolarHBondContact O-OG1 3.43Å; A136-T139 WeakPolarHBondContact O-CB 3.47Å; A136-T139 PolarHBondContact O-N 2.88Å; F137-T139 VanDerWaalsContact C-N 3.29Å; F137-T139 PolarHBondContact O-N 3.3Å; T139-M142 PolarHBondContact O-N 3Å; T139-K143 WeakPolarHBondContact O-CG 3.39Å; T139-K143 PolarHBondContact O-N 2.89Å
140E97.4Very high90.3Very high52 Ų5269.9 Ų69.924%0.24341%0.407CS..Hα-helixtrans-71.1-40-179-166.262.9-17000112.4Y78 Q126 L130 A136 F137 M142 K143 F144Y78-E140 HydrophobicContact CE1-CB 4.38Å; Y78-E140 HydrophobicContact CE1-CG 4.33Å; Y78-E140 HydrophobicContact CE2-CG 4.16Å; Q126-E140 PolarHBondContact NE2-OE1 3.38Å; Q126-E140 VanDerWaalsContact NE2-OE1 3.11Å; L130-E140 HydrophobicContact CD1-CB 3.95Å; L130-E140 HydrophobicContact CD1-CG 4.22Å; A136-E140 PolarHBondContact O-N 3.12Å; F137-E140 PolarHBondContact O-N 3.04Å; E140-M142 VanDerWaalsContact C-N 3.3Å; E140-M142 PolarHBondContact O-N 2.78Å; E140-K143 PolarHBondContact O-N 3.39Å; E140-K143 IonicContact OE2-NZ 2.86Å; E140-F144 WeakPolarHBondContact O-CB 3.27Å; E140-F144 PolarHBondContact O-N 3.36Å
141M97Very high87.4Confident0 Ų077 Ų770%046%0.459CS..Hα-helixtrans-54.4-47.3172.3177.5-164.678.900111.1V48 Y49 Q52 Y78 F137 R138 F144 Q145V48-M141 VanDerWaalsContact O-CE 3.32Å; V48-M141 WeakPolarHBondContact O-CE 3.48Å; Y49-M141 HydrophobicContact CD1-SD 3.52Å; Y49-M141 VanDerWaalsContact CD1-SD 3.52Å; Y49-M141 HydrophobicContact CE1-CG 4.49Å; Y49-M141 HydrophobicContact CE1-SD 3.59Å; Y49-M141 VanDerWaalsContact CE1-SD 3.59Å; Q52-M141 HydrophobicContact CG-CE 3.87Å; Y78-M141 HydrophobicContact CD1-CB 3.95Å; Y78-M141 HydrophobicContact CG-CB 4.31Å; F137-M141 HydrophobicContact CD1-CB 4.35Å; F137-M141 HydrophobicContact CE1-CB 4.22Å; F137-M141 HydrophobicContact CE1-SD 4.45Å; F137-M141 WeakPolarHBondContact O-CB 3.43Å; F137-M141 PolarHBondContact O-N 2.93Å; R138-M141 HydrophobicContact CG-CE 4.04Å; M141-F144 PolarHBondContact O-N 2.81Å; M141-Q145 HydrophobicContact CG-CG 4.48Å; M141-Q145 WeakPolarHBondContact O-CB 3.25Å; M141-Q145 WeakPolarHBondContact O-CG 3.46Å; M141-Q145 PolarHBondContact O-N 3.42Å
142M96.2Very high86.9Confident64 Ų6477.5 Ų77.532%0.31547%0.47SS..Hα-helixtrans-64.9-41179.9-70.2-65.9-173.100112Q52 R138 T139 E140 Q145 A146Q52-M142 HydrophobicContact CG-CE 4.43Å; R138-M142 HydrophobicContact CG-CE 4.46Å; R138-M142 HydrophobicContact CG-CG 4.48Å; R138-M142 WeakPolarHBondContact O-CB 3.29Å; R138-M142 WeakPolarHBondContact O-CG 3.31Å; R138-M142 PolarHBondContact O-N 3.29Å; T139-M142 PolarHBondContact O-N 3Å; E140-M142 VanDerWaalsContact C-N 3.3Å; E140-M142 PolarHBondContact O-N 2.78Å; M142-Q145 PolarHBondContact O-N 2.77Å; M142-A146 WeakPolarHBondContact O-CB 3.4Å; M142-A146 PolarHBondContact O-N 2.8Å
143K96Very high86.4Confident126 Ų12675.9 Ų75.955%0.54846%0.455SS..Hα-helixtrans-62.3-47174.1-69.8173.8-174.41710111.9T139 E140 Q145 A146 S147T139-K143 WeakPolarHBondContact O-CG 3.39Å; T139-K143 PolarHBondContact O-N 2.89Å; E140-K143 PolarHBondContact O-N 3.39Å; E140-K143 IonicContact OE2-NZ 2.86Å; K143-Q145 VanDerWaalsContact C-N 3.33Å; K143-Q145 PolarHBondContact O-N 3.33Å; K143-A146 PolarHBondContact O-N 3.04Å; K143-S147 PolarHBondContact O-N 3.45Å
144F94.5Very high85.8Confident47 Ų4775.6 Ų75.621%0.20646%0.456CS..Hα-helixtrans-58.4-46.6178.6178.8-96.1000111.1K76 Y78 T84 E140 M141 S147K76-F144 HydrophobicContact CB-CD1 4.08Å; K76-F144 HydrophobicContact CB-CE1 3.73Å; K76-F144 HydrophobicContact CD-CE1 4.47Å; K76-F144 WeakPolarHBondContact CD-O 3.35Å; K76-F144 HydrophobicContact CG-CE1 4.25Å; Y78-F144 HydrophobicContact CD2-CB 3.85Å; Y78-F144 HydrophobicContact CD2-CD1 4.14Å; Y78-F144 HydrophobicContact CD2-CD2 4.07Å; Y78-F144 AromaticContact CD2-CG 3.76Å; Y78-F144 HydrophobicContact CD2-CG 3.76Å; Y78-F144 HydrophobicContact CG-CB 4.31Å; Y78-F144 HydrophobicContact CG-CD1 4.45Å; Y78-F144 HydrophobicContact CG-CG 4.38Å; T84-F144 HydrophobicContact CG2-CE2 4.45Å; E140-F144 WeakPolarHBondContact O-CB 3.27Å; E140-F144 PolarHBondContact O-N 3.36Å; M141-F144 PolarHBondContact O-N 2.81Å; F144-S147 PolarHBondContact O-N 3.43Å; F144-S147 PolarHBondContact O-OG 3.43Å
145Q90.9Very high85.1Confident40 Ų4075.6 Ų75.619%0.18745%0.454CS..Hα-helixtrans-71.7-30.7-179.1-67.6172.9162.700113.1Y54 K76 M141 M142 K143Y54-Q145 VanDerWaalsContact CE1-OE1 3.23Å; Y54-Q145 PolarHBondContact OH-OE1 3.18Å; K76-Q145 HydrophobicContact CB-CG 4.38Å; M141-Q145 HydrophobicContact CG-CG 4.48Å; M141-Q145 WeakPolarHBondContact O-CB 3.25Å; M141-Q145 WeakPolarHBondContact O-CG 3.46Å; M141-Q145 PolarHBondContact O-N 3.42Å; M142-Q145 PolarHBondContact O-N 2.77Å; K143-Q145 VanDerWaalsContact C-N 3.33Å; K143-Q145 PolarHBondContact O-N 3.33Å
146A91.3Very high84.4Confident79 Ų7974.8 Ų74.865%0.65344%0.443SS*.Hα-helixtrans-79.8-19.1176.700000113.5M142 K143 S148M142-A146 WeakPolarHBondContact O-CB 3.4Å; M142-A146 PolarHBondContact O-N 2.8Å; K143-A146 PolarHBondContact O-N 3.04Å; A146-S148 PolarHBondContact O-N 2.91Å; A146-S148 VanDerWaalsContact O-N 3.14Å
147S86.8Confident83.5Confident55 Ų5577.5 Ų77.539%0.38546%0.455SS..SBendtrans-55.4124175.467.90000109K76 K143 F144 S149K76-S147 PolarHBondContact NZ-O 3.07Å; K76-S147 PolarHBondContact NZ-OG 2.92Å; K143-S147 PolarHBondContact O-N 3.45Å; F144-S147 PolarHBondContact O-N 3.43Å; F144-S147 PolarHBondContact O-OG 3.43Å; S147-S149 PolarHBondContact O-N 2.72Å
148S68.6Low82.4Confident98 Ų9883 Ų8369%0.68549%0.487SS*.  trans-59136.2174-57.60000108.7K76 A146 N150K76-S148 PolarHBondContact NZ-O 2.94Å; A146-S148 PolarHBondContact O-N 2.91Å; A146-S148 VanDerWaalsContact O-N 3.14Å; S148-N150 PolarHBondContact O-N 3.17Å
149S59.2Low81.2Confident89 Ų8982.6 Ų82.662%0.62250%0.499SS*.  trans-65.293.3163.6-58.40000106.3K76 S147 S151K76-S149 WeakPolarHBondContact CE-OG 3.35Å; S147-S149 PolarHBondContact O-N 2.72Å; S149-S151 VanDerWaalsContact C-N 3.34Å; S149-S151 PolarHBondContact O-N 2.88Å
150N43.2Very low79.9Confident156 Ų15682.9 Ų82.983%0.83450%0.5SS*.  trans-57.2110.6162-81.4-9.8000105.2S148S148-N150 PolarHBondContact O-N 3.17Å
151S37.1Very low78.3Confident189 Ų18985.7 Ų85.7100%1.32252%0.523SS*.  trans-57.10176.8-55.50000111S149S149-S151 VanDerWaalsContact C-N 3.34Å; S149-S151 PolarHBondContact O-N 2.88Å

Retrieved 151 of 151 residues in 34.3 ms (Link to these results)

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