G4LXW0_SCHMA Loading...

Venom allergen-like (VAL) 22 protein

AlphaFold DB , UniProt , Accession G4LXW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 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
1M60.2Low74.3Confident214 Ų214109.6 Ų109.6100%1.05461%0.607SS**  0-23.90-65.1-179.980.900114.1
2H65.8Low75.1Confident155 Ų155109.2 Ų109.272%0.71860%0.602SS**Hα-helixtrans-68.9-33.4-179.4-68.1-62.3000115.8N4 L5 L6H2-N4 PolarHBondContact O-N 3.16Å; H2-L5 PolarHBondContact O-N 3.31Å; H2-L6 PolarHBondContact O-N 3.45Å
3S73.2Confident75.6Confident95 Ų95112.2 Ų112.266%0.66461%0.606SS**Hα-helixtrans-62.4-39.9-178.7-171.70000113.2L5 L6 C7S3-L5 PolarHBondContact O-N 3.42Å; S3-L6 PolarHBondContact O-N 2.77Å; S3-C7 PolarHBondContact O-N 3.14Å
4N72.6Confident76Confident119 Ų119111.1 Ų111.164%0.63660%0.598SS**Hα-helixtrans-69.5-33.1-179.5-66.3-14.1000112.5H2 C7 L8H2-N4 PolarHBondContact O-N 3.16Å; N4-C7 PolarHBondContact O-N 3.33Å; N4-L8 WeakPolarHBondContact O-CG 3.45Å; N4-L8 PolarHBondContact O-N 3.46Å; N4-L8 VanDerWaalsContact O-N 3.16Å
5L74.1Confident76.2Confident108 Ų108110.3 Ų110.357%0.56559%0.593SS**Hα-helixtrans-69.9-41.6179.1-171.762.1000111.6H2 S3 C7 L8 T9H2-L5 PolarHBondContact O-N 3.31Å; S3-L5 PolarHBondContact O-N 3.42Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 3.08Å; L5-T9 WeakPolarHBondContact O-CG2 3.49Å; L5-T9 PolarHBondContact O-N 3.27Å; L5-T9 VanDerWaalsContact O-N 3.14Å; L5-T9 PolarHBondContact O-OG1 3.39Å
6L72.8Confident76.2Confident117 Ų117108.4 Ų108.461%0.61358%0.582SS**Hα-helixtrans-61-38.8173.6-94.8132.3000112.5H2 S3 T9 C10H2-L6 PolarHBondContact O-N 3.45Å; S3-L6 PolarHBondContact O-N 2.77Å; L6-T9 WeakPolarHBondContact CA-OG1 3.48Å; L6-T9 PolarHBondContact O-OG1 3.49Å; L6-C10 PolarHBondContact O-N 2.82Å; L6-C10 VanDerWaalsContact O-N 3.15Å; L6-C10 PolarHBondContact O-SG 3.45Å; L6-C10 VanDerWaalsContact O-SG 3.39Å
7C77.4Confident76Confident78 Ų78109.8 Ų109.853%0.52758%0.582SS.*Hα-helixtrans-66.6-45.4178.7-168.40000111.9S3 N4 L5 T9 C10 T11S3-C7 PolarHBondContact O-N 3.14Å; N4-C7 PolarHBondContact O-N 3.33Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 3.3Å; C7-T9 PolarHBondContact O-N 3.45Å; C7-C10 PolarHBondContact O-N 3.46Å; C7-T11 PolarHBondContact O-N 3.42Å; C7-T11 VanDerWaalsContact O-N 3.08Å
8L79.5Confident75.5Confident115 Ų115110.7 Ų110.760%0.60258%0.58SS**Hα-helixtrans-61.2-43.3177.5-74.9162.3000112.1N4 L5 C10 T11 L12N4-L8 WeakPolarHBondContact O-CG 3.45Å; N4-L8 PolarHBondContact O-N 3.46Å; N4-L8 VanDerWaalsContact O-N 3.16Å; L5-L8 PolarHBondContact O-N 3.08Å; L8-C10 PolarHBondContact O-N 3.27Å; L8-T11 PolarHBondContact O-N 2.85Å; L8-T11 PolarHBondContact O-OG1 3.31Å; L8-L12 PolarHBondContact O-N 2.88Å; L8-L12 VanDerWaalsContact O-N 3.13Å
9T80.6Confident75Confident64 Ų64109.7 Ų109.739%0.39357%0.574SS.*Hα-helixtrans-62.8-41.617751.50000112L5 L6 C7 T11 L12 F13L5-T9 WeakPolarHBondContact O-CG2 3.49Å; L5-T9 PolarHBondContact O-N 3.27Å; L5-T9 VanDerWaalsContact O-N 3.14Å; L5-T9 PolarHBondContact O-OG1 3.39Å; L6-T9 WeakPolarHBondContact CA-OG1 3.48Å; L6-T9 PolarHBondContact O-OG1 3.49Å; C7-T9 PolarHBondContact O-N 3.45Å; T9-T11 PolarHBondContact O-N 3.22Å; T9-L12 PolarHBondContact O-N 3.48Å; T9-F13 VanDerWaalsContact O-CD2 3.23Å; T9-F13 WeakPolarHBondContact O-CD2 3.13Å; T9-F13 PolarHBondContact O-N 3.13Å
10C78.7Confident74.5Confident71 Ų71110.8 Ų110.848%0.4858%0.576SS.*Hα-helixtrans-61-43.1176.5-76.50000112L6 C7 L8 L12 F13 I14L6-C10 PolarHBondContact O-N 2.82Å; L6-C10 VanDerWaalsContact O-N 3.15Å; L6-C10 PolarHBondContact O-SG 3.45Å; L6-C10 VanDerWaalsContact O-SG 3.39Å; C7-C10 PolarHBondContact O-N 3.46Å; L8-C10 PolarHBondContact O-N 3.27Å; C10-L12 VanDerWaalsContact C-N 3.35Å; C10-L12 PolarHBondContact O-N 3.3Å; C10-F13 PolarHBondContact O-N 3.42Å; C10-I14 WeakPolarHBondContact O-CB 3.39Å; C10-I14 VanDerWaalsContact O-CG1 3.24Å; C10-I14 WeakPolarHBondContact O-CG1 3.41Å; C10-I14 PolarHBondContact O-N 3.06Å
11T82Confident73.9Confident70 Ų70110.5 Ų110.543%0.42958%0.576SS.*Hα-helixtrans-64.2-38.3178.160.20000112.7C7 L8 T9 I14 L15C7-T11 PolarHBondContact O-N 3.42Å; C7-T11 VanDerWaalsContact O-N 3.08Å; L8-T11 PolarHBondContact O-N 2.85Å; L8-T11 PolarHBondContact O-OG1 3.31Å; T9-T11 PolarHBondContact O-N 3.22Å; T11-I14 PolarHBondContact O-N 3.44Å; T11-L15 WeakPolarHBondContact O-CB 3.27Å; T11-L15 PolarHBondContact O-N 3.4Å
12L84.1Confident74.1Confident104 Ų104105.5 Ų105.555%0.54556%0.557SS.*Hα-helixtrans-67-43177.2-174.365000111.8L8 T9 C10 I14 L15 L16L8-L12 PolarHBondContact O-N 2.88Å; L8-L12 VanDerWaalsContact O-N 3.13Å; T9-L12 PolarHBondContact O-N 3.48Å; C10-L12 VanDerWaalsContact C-N 3.35Å; C10-L12 PolarHBondContact O-N 3.3Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-L16 HydrophobicContact CD1-CG 4.48Å; L12-L16 HydrophobicContact CG-CD1 4.14Å; L12-L16 HydrophobicContact CG-CG 4.47Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 VanDerWaalsContact O-CG 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.39Å
13F82.1Confident73.8Confident149 Ų149107 Ų10765%0.65456%0.558SS**Hα-helixtrans-61.9-41.6174.7-85.9-70.7000112.3T9 C10 L16 F17T9-F13 VanDerWaalsContact O-CD2 3.23Å; T9-F13 WeakPolarHBondContact O-CD2 3.13Å; T9-F13 PolarHBondContact O-N 3.13Å; C10-F13 PolarHBondContact O-N 3.42Å; F13-L16 PolarHBondContact O-N 3.13Å; F13-F17 VanDerWaalsContact O-CB 3.32Å; F13-F17 WeakPolarHBondContact O-CB 3.24Å; F13-F17 PolarHBondContact O-N 3.27Å
14I81.3Confident73.3Confident96 Ų96107.6 Ų107.649%0.49256%0.56SS.*Hα-helixtrans-64.2-45175.8-70.1169.1000110.5C10 T11 L12 F17 F18C10-I14 WeakPolarHBondContact O-CB 3.39Å; C10-I14 VanDerWaalsContact O-CG1 3.24Å; C10-I14 WeakPolarHBondContact O-CG1 3.41Å; C10-I14 PolarHBondContact O-N 3.06Å; T11-I14 PolarHBondContact O-N 3.44Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.46Å; I14-F17 PolarHBondContact O-N 2.76Å; I14-F18 HydrophobicContact CG2-CD2 3.44Å; I14-F18 VanDerWaalsContact CG2-CD2 3.44Å; I14-F18 HydrophobicContact CG2-CE2 3.18Å; I14-F18 HydrophobicContact CG2-CZ 4.34Å; I14-F18 WeakPolarHBondContact O-CB 3.09Å; I14-F18 WeakPolarHBondContact O-CD2 3.3Å; I14-F18 PolarHBondContact O-N 3.22Å
15L79Confident72.9Confident100 Ų100111.4 Ų111.452%0.52457%0.571SS.*Hα-helixtrans-62.4-42.9175.9-108.8140.4000112.1T11 L12 F18 I19T11-L15 WeakPolarHBondContact O-CB 3.27Å; T11-L15 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.45Å; L15-F18 CarbonylContact O-C 3.52Å; L15-F18 PolarHBondContact O-N 3.15Å; L15-I19 HydrophobicContact CD2-CD1 4.23Å; L15-I19 WeakPolarHBondContact O-CB 3.39Å; L15-I19 WeakPolarHBondContact O-CD1 3.03Å; L15-I19 WeakPolarHBondContact O-CG1 3.5Å; L15-I19 PolarHBondContact O-N 3.28Å
16L76.4Confident73.1Confident80 Ų80113 Ų11342%0.41957%0.574SS.*Hα-helixtrans-65.3-41.2175.6-70.8173000111.4L12 F13 F18 I19 E20L12-L16 HydrophobicContact CD1-CG 4.48Å; L12-L16 HydrophobicContact CG-CD1 4.14Å; L12-L16 HydrophobicContact CG-CG 4.47Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 VanDerWaalsContact O-CG 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.39Å; F13-L16 PolarHBondContact O-N 3.13Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 2.83Å; L16-I19 HydrophobicContact CD2-CD1 4.49Å; L16-I19 PolarHBondContact O-N 3.46Å; L16-E20 WeakPolarHBondContact O-CB 3.41Å; L16-E20 WeakPolarHBondContact O-CG 3.46Å; L16-E20 PolarHBondContact O-N 3.32Å
17F71.8Confident73.8Confident131 Ų131113.8 Ų113.858%0.57558%0.579SS**Hα-helixtrans-61.3-42172.6-172.5-98.9000111.3F13 I14 N21F13-F17 VanDerWaalsContact O-CB 3.32Å; F13-F17 WeakPolarHBondContact O-CB 3.24Å; F13-F17 PolarHBondContact O-N 3.27Å; I14-F17 PolarHBondContact O-N 2.76Å; F17-N21 WeakPolarHBondContact CD1-ND2 3.46Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.33Å; F17-N21 WeakPolarHBondContact CZ-ND2 3.01Å; F17-N21 WeakPolarHBondContact O-CB 3.32Å; F17-N21 PolarHBondContact O-N 2.86Å; F17-N21 PolarHBondContact O-ND2 3.01Å
18F67.4Low74.7Confident126 Ų126111.5 Ų111.555%0.55356%0.561SS**Hα-helixtrans-66.9-39.4173.9-76.5-61.4000112.2I14 L15 L16 N21 V22I14-F18 HydrophobicContact CG2-CD2 3.44Å; I14-F18 VanDerWaalsContact CG2-CD2 3.44Å; I14-F18 HydrophobicContact CG2-CE2 3.18Å; I14-F18 HydrophobicContact CG2-CZ 4.34Å; I14-F18 WeakPolarHBondContact O-CB 3.09Å; I14-F18 WeakPolarHBondContact O-CD2 3.3Å; I14-F18 PolarHBondContact O-N 3.22Å; L15-F18 CarbonylContact O-C 3.52Å; L15-F18 PolarHBondContact O-N 3.15Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 2.83Å; F18-N21 CarbonylContact O-C 3.55Å; F18-N21 PolarHBondContact O-N 2.82Å; F18-V22 WeakPolarHBondContact O-CB 2.96Å; F18-V22 WeakPolarHBondContact O-CG2 3.42Å; F18-V22 PolarHBondContact O-N 3.23Å
19I66.9Low75.4Confident92 Ų92110.4 Ų110.447%0.47256%0.556SS.*Hα-helixtrans-64.6-41.7177-70.4161.9000110.7L15 L16 N21 V22L15-I19 HydrophobicContact CD2-CD1 4.23Å; L15-I19 WeakPolarHBondContact O-CB 3.39Å; L15-I19 WeakPolarHBondContact O-CD1 3.03Å; L15-I19 WeakPolarHBondContact O-CG1 3.5Å; L15-I19 PolarHBondContact O-N 3.28Å; L16-I19 HydrophobicContact CD2-CD1 4.49Å; L16-I19 PolarHBondContact O-N 3.46Å; I19-N21 VanDerWaalsContact C-N 3.34Å; I19-V22 PolarHBondContact O-N 2.82Å
20E64.7Low76.2Confident132 Ų132115.5 Ų115.562%0.61757%0.572SS**Hα-helixtrans-66.5-34.1173.9-72.9-178.6179.500112.3L16 Y23L16-E20 WeakPolarHBondContact O-CB 3.41Å; L16-E20 WeakPolarHBondContact O-CG 3.46Å; L16-E20 PolarHBondContact O-N 3.32Å; E20-Y23 VanDerWaalsContact O-CD2 3.27Å; E20-Y23 WeakPolarHBondContact O-CD2 3.31Å
21N60.6Low77.2Confident104 Ų104115.2 Ų115.256%0.55657%0.566SS**Hα-helixtrans-79.3-19.2174.6-78.1-75.7000113.5F17 F18 I19 Y23F17-N21 WeakPolarHBondContact CD1-ND2 3.46Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.33Å; F17-N21 WeakPolarHBondContact CZ-ND2 3.01Å; F17-N21 WeakPolarHBondContact O-CB 3.32Å; F17-N21 PolarHBondContact O-N 2.86Å; F17-N21 PolarHBondContact O-ND2 3.01Å; F18-N21 CarbonylContact O-C 3.55Å; F18-N21 PolarHBondContact O-N 2.82Å; I19-N21 VanDerWaalsContact C-N 3.34Å; N21-Y23 PolarHBondContact O-N 2.03Å
22V65.4Low78Confident110 Ų110112.4 Ų112.467%0.66755%0.549SS*.THydrogen-bonded Turntrans-83.56.7174.11720000112.1F18 I19 C24F18-V22 WeakPolarHBondContact O-CB 2.96Å; F18-V22 WeakPolarHBondContact O-CG2 3.42Å; F18-V22 PolarHBondContact O-N 3.23Å; I19-V22 PolarHBondContact O-N 2.82Å; V22-C24 PolarHBondContact O-N 3.24Å
23Y59.8Low78.6Confident186 Ų186112.9 Ų112.973%0.72954%0.544SS*.  trans-61.979.9157.8-78.7-70.9000109.5E20 N21 K25E20-Y23 VanDerWaalsContact O-CD2 3.27Å; E20-Y23 WeakPolarHBondContact O-CD2 3.31Å; N21-Y23 PolarHBondContact O-N 2.03Å; Y23-K25 PolarHBondContact O-N 3.31Å; Y23-K25 VanDerWaalsContact O-N 3.13Å
24C62Low79.4Confident107 Ų107110 Ų11072%0.72353%0.531SS*.  trans-59.4115.8-179.4-177.50000107.1V22 K26V22-C24 PolarHBondContact O-N 3.24Å; C24-K26 PolarHBondContact O-N 3.42Å
25K65.1Low80.3Confident199 Ų199105.4 Ų105.487%0.86551%0.508SS*.  trans-6090.9157.2-82.3179.7179.1169.70106.5Y23 D27Y23-K25 PolarHBondContact O-N 3.31Å; Y23-K25 VanDerWaalsContact O-N 3.13Å; K25-D27 PolarHBondContact O-N 3.05Å
26K77.3Confident81.2Confident141 Ų141101 Ų10161%0.61349%0.485SS*.PPolyproline II helixtrans-55126.7174.3-175.4171.1-176.3171.80107.4C24 Y67C24-K26 PolarHBondContact O-N 3.42Å; K26-Y67 HydrophobicContact CB-CE1 4.31Å; K26-Y67 HydrophobicContact CD-CE1 4.13Å; K26-Y67 HydrophobicContact CG-CE1 4.36Å; K26-Y67 PolarHBondContact O-OH 3.2Å
27D88.7Confident82.3Confident135 Ų135101.1 Ų101.172%0.72249%0.488SS*.PPolyproline II helixtrans-70.5138.2173.1-90.8-45.7000110K25 N29K25-D27 PolarHBondContact O-N 3.05Å; D27-N29 PolarHBondContact O-N 3.21Å
28L94.5Very high83.6Confident30 Ų3095.8 Ų95.816%0.15747%0.466CS..PPolyproline II helixtrans-65.2133.5172.6-63.4-179.3000109.6R33 L36 W65 Y67L28-R33 HydrophobicContact CB-CB 4.16Å; L28-R33 PolarHBondContact O-NH1 3.12Å; L28-R33 PolarHBondContact O-NH2 3.36Å; L28-L36 HydrophobicContact CD1-CD2 3.68Å; L28-W65 HydrophobicContact CD1-CB 4.15Å; L28-W65 HydrophobicContact CD1-CD2 4.37Å; L28-W65 HydrophobicContact CD1-CG 4.21Å; L28-W65 HydrophobicContact CD2-CB 3.97Å; L28-W65 HydrophobicContact CD2-CD2 3.75Å; L28-W65 HydrophobicContact CD2-CG 3.4Å; L28-W65 VanDerWaalsContact CD2-CG 3.4Å; L28-W65 HydrophobicContact CG-CG 4.45Å; L28-Y67 HydrophobicContact CD2-CE1 4.04Å; L28-Y67 WeakPolarHBondContact CD2-OH 3.37Å
29N95.8Very high85.1Confident91 Ų9189.9 Ų89.949%0.48744%0.44SS..PPolyproline II helixtrans-62.8165.8167.372.558.1000110.3D27 N31 S32 R33D27-N29 PolarHBondContact O-N 3.21Å; N29-N31 VanDerWaalsContact C-N 3.3Å; N29-N31 PolarHBondContact O-N 3.26Å; N29-N31 WeakPolarHBondContact OD1-CA 3.45Å; N29-N31 WeakPolarHBondContact OD1-CB 3.36Å; N29-N31 PolarHBondContact OD1-N 3.5Å; N29-S32 PolarHBondContact ND2-OG 3.05Å; N29-S32 PolarHBondContact O-N 2.9Å; N29-S32 PolarHBondContact OD1-N 3.42Å; N29-S32 PolarHBondContact OD1-OG 3.09Å; N29-R33 WeakPolarHBondContact O-CB 3.41Å; N29-R33 PolarHBondContact O-N 3.35Å
30K97.6Very high86.6Confident171 Ų17189.4 Ų89.474%0.74343%0.432SS*.Hα-helixtrans-54.9-42.1-176.8-174.3179.1178.8-179.40113.1K34K30-K34 WeakPolarHBondContact O-CB 3.32Å; K30-K34 PolarHBondContact O-N 3.24Å
31N98.2Very high88.2Confident66 Ų6690.6 Ų90.635%0.35343%0.431SS..Hα-helixtrans-70.2-48.1-177.9-70-12000111.5N29 R33 K34 L35 I105 V147N29-N31 VanDerWaalsContact C-N 3.3Å; N29-N31 PolarHBondContact O-N 3.26Å; N29-N31 WeakPolarHBondContact OD1-CA 3.45Å; N29-N31 WeakPolarHBondContact OD1-CB 3.36Å; N29-N31 PolarHBondContact OD1-N 3.5Å; N31-R33 VanDerWaalsContact C-N 3.34Å; N31-R33 PolarHBondContact O-N 2.95Å; N31-K34 PolarHBondContact O-N 3.03Å; N31-L35 WeakPolarHBondContact O-CG 3.41Å; N31-L35 PolarHBondContact O-N 3.3Å; N31-I105 HydrophobicContact CB-CD1 3.58Å; N31-I105 WeakPolarHBondContact OD1-CD1 3.43Å; N31-V147 HydrophobicContact CB-CG2 4.15Å
32S98.4Very high90Very high10 Ų1086.9 Ų86.97%0.0741%0.41CS..Hα-helixtrans-58.7-44.6175.5-60.80000111.8N29 K34 L35 L36 W65N29-S32 PolarHBondContact ND2-OG 3.05Å; N29-S32 PolarHBondContact O-N 2.9Å; N29-S32 PolarHBondContact OD1-N 3.42Å; N29-S32 PolarHBondContact OD1-OG 3.09Å; S32-K34 PolarHBondContact O-N 3.38Å; S32-L35 PolarHBondContact O-N 3.03Å; S32-L36 WeakPolarHBondContact O-CB 3.48Å; S32-L36 PolarHBondContact O-N 3.34Å; S32-W65 VanDerWaalsContact CB-CH2 3.42Å; S32-W65 VanDerWaalsContact CB-CZ2 3.45Å; S32-W65 WeakPolarHBondContact O-CZ3 3.32Å; S32-W65 VanDerWaalsContact OG-CZ2 3.29Å; S32-W65 WeakPolarHBondContact OG-CZ2 3.48Å
33R98.4Very high91.6Very high114 Ų11481.9 Ų81.943%0.4338%0.379SS..Hα-helixtrans-60.7-45.9175.1-173.6-178.1-70.196.21.1111.3L28 N29 N31 L36 V37L28-R33 HydrophobicContact CB-CB 4.16Å; L28-R33 PolarHBondContact O-NH1 3.12Å; L28-R33 PolarHBondContact O-NH2 3.36Å; N29-R33 WeakPolarHBondContact O-CB 3.41Å; N29-R33 PolarHBondContact O-N 3.35Å; N31-R33 VanDerWaalsContact C-N 3.34Å; N31-R33 PolarHBondContact O-N 2.95Å; R33-L36 PolarHBondContact O-N 3.36Å; R33-V37 HydrophobicContact CG-CG2 4.39Å; R33-V37 WeakPolarHBondContact O-CB 3.31Å; R33-V37 VanDerWaalsContact O-CG2 3.25Å; R33-V37 WeakPolarHBondContact O-CG2 3.11Å; R33-V37 PolarHBondContact O-N 3.31Å
34K98.7Very high93.4Very high89 Ų8977.5 Ų77.539%0.38737%0.365SS..Hα-helixtrans-61.7-46179.6-174.4172.2179.5175.40111.9K30 N31 S32 V37 L38 I105K30-K34 WeakPolarHBondContact O-CB 3.32Å; K30-K34 PolarHBondContact O-N 3.24Å; N31-K34 PolarHBondContact O-N 3.03Å; S32-K34 PolarHBondContact O-N 3.38Å; K34-V37 PolarHBondContact O-N 2.84Å; K34-L38 HydrophobicContact CG-CD1 4.01Å; K34-L38 WeakPolarHBondContact O-CG 3.27Å; K34-L38 PolarHBondContact O-N 2.88Å; K34-I105 HydrophobicContact CB-CG2 4.44Å; K34-I105 HydrophobicContact CD-CB 4.15Å; K34-I105 HydrophobicContact CD-CD1 4.5Å; K34-I105 HydrophobicContact CD-CG2 3.96Å; K34-I105 HydrophobicContact CG-CG2 3.91Å
35L98.9Very high95.2Very high0 Ų073.8 Ų73.80%034%0.338CS..Hα-helixtrans-60.3-48.4177.2-76.6160.4000111.5N31 S32 V37 L38 H39 I105 V109 C145 V147 I157N31-L35 WeakPolarHBondContact O-CG 3.41Å; N31-L35 PolarHBondContact O-N 3.3Å; S32-L35 PolarHBondContact O-N 3.03Å; L35-V37 PolarHBondContact O-N 3.32Å; L35-L38 PolarHBondContact O-N 2.92Å; L35-H39 PolarHBondContact O-N 3.49Å; L35-H39 VanDerWaalsContact O-N 3.1Å; L35-H39 PolarHBondContact O-ND1 3.44Å; L35-I105 HydrophobicContact CD2-CG2 3.64Å; L35-I105 HydrophobicContact CG-CG2 3.74Å; L35-V109 HydrophobicContact CD2-CG2 3.66Å; L35-C145 HydrophobicContact CB-CB 4.45Å; L35-C145 HydrophobicContact CD1-CB 3.55Å; L35-C145 HydrophobicContact CG-CB 4.46Å; L35-V147 HydrophobicContact CD1-CG2 3.65Å; L35-I157 HydrophobicContact CD1-CG2 4.4Å; L35-I157 HydrophobicContact CD2-CG2 3.98Å
36L98.7Very high96.8Very high8 Ų864.3 Ų64.34%0.04230%0.297CS..Hα-helixtrans-61.2-43.6178.2-178.762.2000112.3L28 S32 R33 R40 L63 W65 I143L28-L36 HydrophobicContact CD1-CD2 3.68Å; S32-L36 WeakPolarHBondContact O-CB 3.48Å; S32-L36 PolarHBondContact O-N 3.34Å; R33-L36 PolarHBondContact O-N 3.36Å; L36-R40 HydrophobicContact CD1-CG 4.37Å; L36-R40 WeakPolarHBondContact O-CB 3.39Å; L36-R40 VanDerWaalsContact O-CG 3.3Å; L36-R40 WeakPolarHBondContact O-CG 3.21Å; L36-R40 PolarHBondContact O-N 2.83Å; L36-L63 HydrophobicContact CD1-CB 4.1Å; L36-W65 HydrophobicContact CB-CE3 4.11Å; L36-W65 HydrophobicContact CB-CZ3 4.4Å; L36-W65 HydrophobicContact CD2-CB 4.25Å; L36-I143 HydrophobicContact CD1-CG2 3.51Å
37V98.7Very high97.8Very high81 Ų8158.7 Ų58.749%0.49127%0.274SS..Hα-helixtrans-65-45179.7166.80000111.4R33 K34 L35 R40 R41R33-V37 HydrophobicContact CG-CG2 4.39Å; R33-V37 WeakPolarHBondContact O-CB 3.31Å; R33-V37 VanDerWaalsContact O-CG2 3.25Å; R33-V37 WeakPolarHBondContact O-CG2 3.11Å; R33-V37 PolarHBondContact O-N 3.31Å; K34-V37 PolarHBondContact O-N 2.84Å; L35-V37 PolarHBondContact O-N 3.32Å; V37-R40 PolarHBondContact O-N 2.87Å; V37-R41 WeakPolarHBondContact O-CB 3.48Å; V37-R41 PolarHBondContact O-N 3.48Å
38L98.9Very high98.2Very high20 Ų2053.7 Ų53.711%0.10525%0.248CC..Hα-helixtrans-61.9-46178.5-71.7169.3000111.6K34 L35 R40 R41 F42 I105 V109K34-L38 HydrophobicContact CG-CD1 4.01Å; K34-L38 WeakPolarHBondContact O-CG 3.27Å; K34-L38 PolarHBondContact O-N 2.88Å; L35-L38 PolarHBondContact O-N 2.92Å; L38-R40 PolarHBondContact O-N 3Å; L38-R41 PolarHBondContact O-N 3.24Å; L38-F42 VanDerWaalsContact O-CD2 3.23Å; L38-F42 WeakPolarHBondContact O-CD2 3.35Å; L38-F42 PolarHBondContact O-N 3.38Å; L38-I105 HydrophobicContact CD1-CG2 4.03Å; L38-V109 HydrophobicContact CB-CB 4.45Å; L38-V109 HydrophobicContact CB-CG1 3.91Å; L38-V109 HydrophobicContact CD1-CB 4.17Å; L38-V109 HydrophobicContact CD1-CG2 4.14Å
39H98.9Very high98.3Very high1 Ų154 Ų541%0.00525%0.252CS..Hα-helixtrans-62-45.3177.5-76.378.5000112.3L35 R41 F42 R43 L63 I143 Y161L35-H39 PolarHBondContact O-N 3.49Å; L35-H39 VanDerWaalsContact O-N 3.1Å; L35-H39 PolarHBondContact O-ND1 3.44Å; H39-R41 VanDerWaalsContact C-N 3.33Å; H39-R41 PolarHBondContact O-N 2.82Å; H39-F42 PolarHBondContact O-N 3.27Å; H39-R43 WeakPolarHBondContact O-CB 3.39Å; H39-R43 VanDerWaalsContact O-CG 3.28Å; H39-R43 WeakPolarHBondContact O-CG 3.39Å; H39-R43 PolarHBondContact O-N 3.43Å; H39-L63 HydrophobicContact CB-CD1 3.74Å; H39-I143 HydrophobicContact CB-CD1 4.29Å; H39-Y161 AromaticContact CD2-CE1 3.75Å; H39-Y161 AromaticContact NE2-CE1 3.68Å; H39-Y161 AromaticContact NE2-CZ 3.66Å; H39-Y161 PolarHBondContact NE2-OH 3.34Å
40R98.8Very high98.4Very high83 Ų8355.3 Ų55.331%0.31325%0.253SS..Hα-helixtrans-60.9-43.5176.8-76.6174.4172.6172.7-2.1111.5L36 V37 L38 R43 Q44 L63L36-R40 HydrophobicContact CD1-CG 4.37Å; L36-R40 WeakPolarHBondContact O-CB 3.39Å; L36-R40 VanDerWaalsContact O-CG 3.3Å; L36-R40 WeakPolarHBondContact O-CG 3.21Å; L36-R40 PolarHBondContact O-N 2.83Å; V37-R40 PolarHBondContact O-N 2.87Å; L38-R40 PolarHBondContact O-N 3Å; R40-R43 PolarHBondContact O-N 3.42Å; R40-Q44 WeakPolarHBondContact O-CB 3.45Å; R40-Q44 PolarHBondContact O-N 3.04Å; R40-L63 HydrophobicContact CG-CB 4.35Å; R40-L63 PolarHBondContact NE-O 2.83Å; R40-L63 PolarHBondContact NH2-O 2.87Å
41R98.8Very high98.5Very high156 Ų15647.7 Ų47.759%0.58922%0.221SC*.Hα-helixtrans-59.3-51.6177.4176.7179.5172.9167.31.4111.1V37 L38 H39 R43 Q44 D45V37-R41 WeakPolarHBondContact O-CB 3.48Å; V37-R41 PolarHBondContact O-N 3.48Å; L38-R41 PolarHBondContact O-N 3.24Å; H39-R41 VanDerWaalsContact C-N 3.33Å; H39-R41 PolarHBondContact O-N 2.82Å; R41-R43 VanDerWaalsContact C-N 3.33Å; R41-R43 PolarHBondContact O-N 2.98Å; R41-Q44 CarbonylContact O-C 3.52Å; R41-Q44 WeakPolarHBondContact O-CA 3.46Å; R41-Q44 WeakPolarHBondContact O-CB 3.32Å; R41-Q44 PolarHBondContact O-N 3.22Å; R41-Q44 VanDerWaalsContact O-N 3.08Å; R41-D45 IonicContact NE-OD2 3.76Å; R41-D45 PolarHBondContact O-N 2.63Å
42F98.8Very high98.4Very high26 Ų2651.1 Ų51.111%0.11424%0.239CC..Hα-helixtrans-62.6-38.9-179.1-79.3-49.1000113.5L38 H39 Q44 D45 L46 V109 D110 F113 M135L38-F42 VanDerWaalsContact O-CD2 3.23Å; L38-F42 WeakPolarHBondContact O-CD2 3.35Å; L38-F42 PolarHBondContact O-N 3.38Å; H39-F42 PolarHBondContact O-N 3.27Å; F42-Q44 VanDerWaalsContact C-N 3.33Å; F42-D45 PolarHBondContact O-N 3.13Å; F42-L46 PolarHBondContact O-N 2.76Å; F42-V109 HydrophobicContact CD2-CG1 3.97Å; F42-V109 HydrophobicContact CE2-CG1 3.84Å; F42-D110 WeakPolarHBondContact CZ-OD1 3.26Å; F42-F113 HydrophobicContact CB-CD2 3.6Å; F42-F113 HydrophobicContact CB-CE1 4.49Å; F42-F113 HydrophobicContact CB-CE2 3.53Å; F42-F113 HydrophobicContact CB-CG 4.13Å; F42-F113 HydrophobicContact CB-CZ 3.98Å; F42-F113 HydrophobicContact CD1-CB 4.34Å; F42-F113 AromaticContact CD1-CD1 3.28Å; F42-F113 HydrophobicContact CD1-CD1 3.28Å; F42-F113 AromaticContact CD1-CD2 3.89Å; F42-F113 HydrophobicContact CD1-CD2 3.89Å; F42-F113 AromaticContact CD1-CE1 3.34Å; F42-F113 HydrophobicContact CD1-CE1 3.34Å; F42-F113 AromaticContact CD1-CE2 3.95Å; F42-F113 HydrophobicContact CD1-CE2 3.95Å; F42-F113 AromaticContact CD1-CG 3.55Å; F42-F113 HydrophobicContact CD1-CG 3.55Å; F42-F113 AromaticContact CD1-CZ 3.66Å; F42-F113 HydrophobicContact CD1-CZ 3.66Å; F42-F113 HydrophobicContact CD2-CB 4.06Å; F42-F113 HydrophobicContact CD2-CD1 4.49Å; F42-F113 HydrophobicContact CD2-CD2 4.22Å; F42-F113 AromaticContact CD2-CG 3.99Å; F42-F113 HydrophobicContact CD2-CG 3.99Å; F42-F113 HydrophobicContact CE1-CB 4.32Å; F42-F113 AromaticContact CE1-CD1 3.37Å; F42-F113 HydrophobicContact CE1-CD1 3.37Å; F42-F113 AromaticContact CE1-CE1 3.75Å; F42-F113 HydrophobicContact CE1-CE1 3.75Å; F42-F113 AromaticContact CE1-CG 3.85Å; F42-F113 HydrophobicContact CE1-CG 3.85Å; F42-F113 HydrophobicContact CE2-CB 4.04Å; F42-F113 HydrophobicContact CE2-CG 4.26Å; F42-F113 HydrophobicContact CG-CB 4.22Å; F42-F113 AromaticContact CG-CD1 3.89Å; F42-F113 HydrophobicContact CG-CD1 3.89Å; F42-F113 AromaticContact CG-CD2 3.65Å; F42-F113 HydrophobicContact CG-CD2 3.65Å; F42-F113 HydrophobicContact CG-CE1 4.13Å; F42-F113 AromaticContact CG-CE2 3.91Å; F42-F113 HydrophobicContact CG-CE2 3.91Å; F42-F113 AromaticContact CG-CG 3.63Å; F42-F113 HydrophobicContact CG-CG 3.63Å; F42-F113 HydrophobicContact CG-CZ 4.11Å; F42-F113 HydrophobicContact CZ-CB 4.16Å; F42-F113 HydrophobicContact CZ-CD1 4.04Å; F42-F113 HydrophobicContact CZ-CG 4.19Å; F42-M135 HydrophobicContact CB-CE 4.49Å; F42-M135 HydrophobicContact CD2-CE 3.9Å
43R98.8Very high98.3Very high6 Ų654.4 Ų54.42%0.02328%0.275CS..Hα-helixtrans-62.2-41.3172-71171.174.283.7-3.2111.8H39 R40 R41 L46 V47 M60 S61 M135 W137 A138 T140H39-R43 WeakPolarHBondContact O-CB 3.39Å; H39-R43 VanDerWaalsContact O-CG 3.28Å; H39-R43 WeakPolarHBondContact O-CG 3.39Å; H39-R43 PolarHBondContact O-N 3.43Å; R40-R43 PolarHBondContact O-N 3.42Å; R41-R43 VanDerWaalsContact C-N 3.33Å; R41-R43 PolarHBondContact O-N 2.98Å; R43-L46 PolarHBondContact O-N 3.05Å; R43-V47 PolarHBondContact O-N 2.77Å; R43-M60 HydrophobicContact CB-CB 4.03Å; R43-M60 HydrophobicContact CB-CG 4.07Å; R43-M60 HydrophobicContact CG-SD 4.43Å; R43-S61 PolarHBondContact NE-O 3.23Å; R43-S61 VanDerWaalsContact NE-O 3.09Å; R43-S61 PolarHBondContact NH2-O 2.88Å; R43-S61 PolarHBondContact NH2-OG 3.06Å; R43-M135 PolarHBondContact NH1-O 3.32Å; R43-W137 PolarHBondContact NH1-O 2.85Å; R43-W137 PolarHBondContact NH2-O 2.84Å; R43-A138 PolarHBondContact NH2-O 3.19Å; R43-T140 PolarHBondContact NH2-O 3.4Å
44Q98.5Very high98.3Very high94 Ų9449.7 Ų49.744%0.43926%0.258SS..Hα-helixtrans-67.6-41.5176.3-170.263.150.500111.8R40 R41 F42 L46 V47 D48R40-Q44 WeakPolarHBondContact O-CB 3.45Å; R40-Q44 PolarHBondContact O-N 3.04Å; R41-Q44 CarbonylContact O-C 3.52Å; R41-Q44 WeakPolarHBondContact O-CA 3.46Å; R41-Q44 WeakPolarHBondContact O-CB 3.32Å; R41-Q44 PolarHBondContact O-N 3.22Å; R41-Q44 VanDerWaalsContact O-N 3.08Å; F42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-L46 PolarHBondContact O-N 2.98Å; Q44-V47 CarbonylContact O-C 3.54Å; Q44-V47 WeakPolarHBondContact O-CA 3.19Å; Q44-V47 WeakPolarHBondContact O-CB 3.4Å; Q44-V47 PolarHBondContact O-N 3.42Å; Q44-D48 PolarHBondContact NE2-OD1 2.75Å; Q44-D48 WeakPolarHBondContact O-CB 3.29Å; Q44-D48 VanDerWaalsContact O-CG 3.3Å; Q44-D48 PolarHBondContact O-N 3.16Å
45D98.5Very high98.3Very high28 Ų2846.9 Ų46.915%0.1525%0.249CC..Hα-helixtrans-58.8-33.8177.7-73.5-21.9000111.1R41 F42 D48 C49 K50 V51R41-D45 IonicContact NE-OD2 3.76Å; R41-D45 PolarHBondContact O-N 2.63Å; F42-D45 PolarHBondContact O-N 3.13Å; D45-D48 PolarHBondContact O-N 3.45Å; D45-C49 PolarHBondContact O-N 2.97Å; D45-C49 VanDerWaalsContact O-N 3.17Å; D45-K50 HydrophobicContact CB-CB 4.06Å; D45-K50 HydrophobicContact CB-CD 4.45Å; D45-K50 WeakPolarHBondContact O-CB 3.45Å; D45-K50 PolarHBondContact O-N 3.05Å; D45-K50 WeakPolarHBondContact OD1-CD 3.22Å; D45-K50 IonicContact OD1-NZ 2.81Å; D45-V51 HydrophobicContact CB-CG2 4.17Å
46L98.3Very high98.3Very high1 Ų147 Ų471%0.00525%0.249CC..Hα-helixtrans-70.9-36.1174-163.564.6000113.2F42 R43 Q44 V51 Q54 P56 A57 M60 V136 Y173F42-L46 PolarHBondContact O-N 2.76Å; R43-L46 PolarHBondContact O-N 3.05Å; Q44-L46 PolarHBondContact O-N 2.98Å; L46-V51 HydrophobicContact CB-CG2 4.09Å; L46-V51 HydrophobicContact CD1-CB 3.71Å; L46-V51 HydrophobicContact CD1-CG1 4.09Å; L46-V51 HydrophobicContact CD1-CG2 3.78Å; L46-Q54 HydrophobicContact CD1-CB 3.95Å; L46-P56 VanDerWaalsContact O-CA 3.25Å; L46-P56 WeakPolarHBondContact O-CA 3.1Å; L46-A57 HydrophobicContact CD2-CB 4.17Å; L46-A57 HydrophobicContact CG-CB 4.08Å; L46-A57 PolarHBondContact O-N 2.88Å; L46-M60 HydrophobicContact CD2-CE 3.51Å; L46-V136 HydrophobicContact CD2-CB 3.84Å; L46-V136 HydrophobicContact CD2-CG1 3.85Å; L46-V136 HydrophobicContact CD2-CG2 4.27Å; L46-Y173 HydrophobicContact CD2-CD1 3.72Å; L46-Y173 HydrophobicContact CD2-CE1 3.24Å; L46-Y173 HydrophobicContact CD2-CE2 4.11Å; L46-Y173 HydrophobicContact CD2-CG 4.35Å; L46-Y173 VanDerWaalsContact CD2-CZ 3.43Å; L46-Y173 HydrophobicContact CG-CE1 4.34Å
47V98.4Very high98.3Very high22 Ų2246.6 Ų46.613%0.13325%0.247CC..Hα-helixtrans-70.5-35.4172.7175.50000111R43 Q44 C49 A57 M60 K176R43-V47 PolarHBondContact O-N 2.77Å; Q44-V47 CarbonylContact O-C 3.54Å; Q44-V47 WeakPolarHBondContact O-CA 3.19Å; Q44-V47 WeakPolarHBondContact O-CB 3.4Å; Q44-V47 PolarHBondContact O-N 3.42Å; V47-C49 PolarHBondContact O-N 2.93Å; V47-A57 HydrophobicContact CG2-CB 4.01Å; V47-M60 HydrophobicContact CG2-CB 3.81Å; V47-M60 HydrophobicContact CG2-CG 3.7Å; V47-K176 WeakPolarHBondContact O-CE 3.49Å; V47-K176 PolarHBondContact O-NZ 3.05Å
48D97.9Very high98.3Very high31 Ų3148.5 Ų48.517%0.16625%0.249CC..THydrogen-bonded Turntrans-83.54.2-178.7-69.1-2.3000113.2Q44 D45 K50 P182Q44-D48 PolarHBondContact NE2-OD1 2.75Å; Q44-D48 WeakPolarHBondContact O-CB 3.29Å; Q44-D48 VanDerWaalsContact O-CG 3.3Å; Q44-D48 PolarHBondContact O-N 3.16Å; D45-D48 PolarHBondContact O-N 3.45Å; D48-K50 VanDerWaalsContact C-N 3.3Å; D48-K50 HydrophobicContact CB-CD 3.85Å; D48-K50 HydrophobicContact CB-CG 4.04Å; D48-K50 PolarHBondContact O-N 3.33Å; D48-K50 IonicContact OD2-NZ 2.8Å; D48-K50 PolarHBondContact OD2-NZ 2.81Å; D48-P182 HydrophobicContact CB-CG 4.41Å
49C97.2Very high98.2Very high36 Ų3654.8 Ų54.824%0.24327%0.272CS..THydrogen-bonded Turntrans64.831.1177.3-40.80000114.1D45 V47 P56 C181D45-C49 PolarHBondContact O-N 2.97Å; D45-C49 VanDerWaalsContact O-N 3.17Å; V47-C49 PolarHBondContact O-N 2.93Å; C49-P56 HydrophobicContact CB-CB 4.07Å; C49-P56 WeakPolarHBondContact SG-CB 3.36Å; C49-C181 HydrophobicContact CB-CB 3.77Å; C49-C181 WeakPolarHBondContact CB-SG 3.48Å; C49-C181 WeakPolarHBondContact SG-CB 3.31Å; C49-C181 CovalentContact SG-SG 1.99Å; C49-C181 PolarHBondContact SG-SG 2.84Å
50K97.9Very high98.2Very high119 Ų11955.6 Ų55.652%0.51728%0.276SS..  trans-97.12.6-178.5-63.8169.4-179.2153.60113.4D45 D48D45-K50 HydrophobicContact CB-CB 4.06Å; D45-K50 HydrophobicContact CB-CD 4.45Å; D45-K50 WeakPolarHBondContact O-CB 3.45Å; D45-K50 PolarHBondContact O-N 3.05Å; D45-K50 WeakPolarHBondContact OD1-CD 3.22Å; D45-K50 IonicContact OD1-NZ 2.81Å; D48-K50 VanDerWaalsContact C-N 3.3Å; D48-K50 HydrophobicContact CB-CD 3.85Å; D48-K50 HydrophobicContact CB-CG 4.04Å; D48-K50 PolarHBondContact O-N 3.33Å; D48-K50 IonicContact OD2-NZ 2.8Å; D48-K50 PolarHBondContact OD2-NZ 2.81Å
51V98.1Very high98Very high11 Ų1152 Ų527%0.06726%0.264CS..SBendtrans-105.1103.1-176.3-173.90000109.3D45 L46 Q54 F113 H116D45-V51 HydrophobicContact CB-CG2 4.17Å; L46-V51 HydrophobicContact CB-CG2 4.09Å; L46-V51 HydrophobicContact CD1-CB 3.71Å; L46-V51 HydrophobicContact CD1-CG1 4.09Å; L46-V51 HydrophobicContact CD1-CG2 3.78Å; V51-Q54 HydrophobicContact CG1-CB 4.09Å; V51-Q54 HydrophobicContact CG1-CG 4.13Å; V51-Q54 PolarHBondContact O-N 2.9Å; V51-F113 HydrophobicContact CG1-CE1 4.24Å; V51-F113 HydrophobicContact CG1-CZ 4.06Å; V51-F113 HydrophobicContact CG2-CE1 4.18Å; V51-F113 HydrophobicContact CG2-CZ 3.68Å; V51-H116 HydrophobicContact CG1-CB 4.45Å
52N97Very high98Very high137 Ų13752.5 Ų52.573%0.73327%0.27SS*.THydrogen-bonded Turntrans-61.9139.9-178.3-65.4-20.1000111.7Q54 H116N52-Q54 PolarHBondContact O-N 2.85Å; N52-H116 PolarHBondContact O-CE1 2.88Å; N52-H116 VanDerWaalsContact O-CE1 3.25Å; N52-H116 PolarHBondContact O-ND1 3.34Å
53G97.1Very high98Very high80 Ų8051.3 Ų51.383%0.82527%0.265SS*.THydrogen-bonded Turntrans77.40.6178.200000115.1
54Q98.4Very high97.9Very high15 Ų1556 Ų567%0.0729%0.285CS..SBendtrans-121.6139177.2-66.2-59.6-36.800110.9L46 V51 N52 H116 Y119L46-Q54 HydrophobicContact CD1-CB 3.95Å; V51-Q54 HydrophobicContact CG1-CB 4.09Å; V51-Q54 HydrophobicContact CG1-CG 4.13Å; V51-Q54 PolarHBondContact O-N 2.9Å; N52-Q54 PolarHBondContact O-N 2.85Å; Q54-H116 HydrophobicContact CG-CB 4.09Å; Q54-H116 PolarHBondContact NE2-O 3.1Å; Q54-Y119 PolarHBondContact NE2-O 2.77Å
55P98.3Very high97.9Very high30 Ų3053 Ų5320%0.19527%0.27CS..PPolyproline II helixtrans-68.6147.1174.529.5-33.5000110F121 Y173 V175P55-F121 HydrophobicContact CG-CB 3.9Å; P55-F121 HydrophobicContact CG-CD1 3.48Å; P55-F121 VanDerWaalsContact CG-CD1 3.48Å; P55-F121 HydrophobicContact CG-CD2 3.69Å; P55-F121 HydrophobicContact CG-CE1 3.89Å; P55-F121 HydrophobicContact CG-CE2 4.15Å; P55-F121 HydrophobicContact CG-CG 3.4Å; P55-F121 HydrophobicContact CG-CZ 4.24Å; P55-Y173 VanDerWaalsContact O-CE2 3.31Å; P55-Y173 WeakPolarHBondContact O-CE2 3.24Å; P55-Y173 PolarHBondContact O-OH 2.79Å; P55-V175 HydrophobicContact CB-CB 4.41Å; P55-V175 HydrophobicContact CB-CG1 3.73Å; P55-V175 HydrophobicContact CB-CG2 3.74Å; P55-V175 HydrophobicContact CG-CG2 3.67Å
56P98.2Very high97.9Very high1 Ų152.7 Ų52.71%0.00627%0.268CS..PPolyproline II helixtrans-72.5139.4-175.129.8-34.9000111.3L46 C49 V175 K176 H178L46-P56 VanDerWaalsContact O-CA 3.25Å; L46-P56 WeakPolarHBondContact O-CA 3.1Å; C49-P56 HydrophobicContact CB-CB 4.07Å; C49-P56 WeakPolarHBondContact SG-CB 3.36Å; P56-V175 WeakPolarHBondContact O-CA 3.41Å; P56-K176 HydrophobicContact CB-CG 4.2Å; P56-K176 HydrophobicContact CG-CG 4.05Å; P56-K176 WeakPolarHBondContact CG-O 3.13Å; P56-K176 PolarHBondContact O-N 3.05Å; P56-H178 WeakPolarHBondContact CD-NE2 3.31Å
57A98.5Very high97.8Very high0 Ų057.3 Ų57.30%029%0.287CS..BIsolated β-bridgetrans-71.1134.4177.400000110.7L46 V47 Y59 M60 Y173 E174 K176L46-A57 HydrophobicContact CD2-CB 4.17Å; L46-A57 HydrophobicContact CG-CB 4.08Å; L46-A57 PolarHBondContact O-N 2.88Å; V47-A57 HydrophobicContact CG2-CB 4.01Å; A57-Y59 VanDerWaalsContact C-N 3.3Å; A57-M60 HydrophobicContact CB-CE 3.64Å; A57-M60 HydrophobicContact CB-CG 4.1Å; A57-Y173 HydrophobicContact CB-CD2 3.61Å; A57-Y173 HydrophobicContact CB-CE2 4.06Å; A57-Y173 HydrophobicContact CB-CG 3.97Å; A57-E174 WeakPolarHBondContact CA-O 2.86Å; A57-K176 WeakPolarHBondContact O-CE 3.27Å
58K98.3Very high97.8Very high122 Ų12261.5 Ų61.553%0.5331%0.308SS..SBendtrans-63.2-40.2170.4-179.6179.1169.1-167.60111.4E174 K176K58-E174 HydrophobicContact CB-CB 4.17Å; K58-E174 WeakPolarHBondContact CB-O 2.93Å; K58-E174 HydrophobicContact CD-CB 4.21Å; K58-E174 WeakPolarHBondContact CD-OE2 3.04Å; K58-E174 PolarHBondContact N-O 3.36Å; K58-E174 IonicContact NZ-OE2 3.97Å; K58-E174 PolarHBondContact NZ-OE2 3.38Å; K58-K176 HydrophobicContact CB-CB 4.04Å; K58-K176 HydrophobicContact CG-CB 4.45Å
59Y97.7Very high97.8Very high151 Ų15160.1 Ų60.159%0.59230%0.301SS*.  trans-152.5143.3-179.5175-99.4000111.1A57 S61A57-Y59 VanDerWaalsContact C-N 3.3Å; Y59-S61 VanDerWaalsContact CE1-N 3.35Å; Y59-S61 WeakPolarHBondContact OH-CA 3.49Å
60M98.2Very high97.8Very high18 Ų1858.9 Ų58.99%0.08929%0.294CS..  trans-132.4128.6165.1-76.2-67.4174.200108.9R43 L46 V47 A57 K62 V136 A138 Y173R43-M60 HydrophobicContact CB-CB 4.03Å; R43-M60 HydrophobicContact CB-CG 4.07Å; R43-M60 HydrophobicContact CG-SD 4.43Å; L46-M60 HydrophobicContact CD2-CE 3.51Å; V47-M60 HydrophobicContact CG2-CB 3.81Å; V47-M60 HydrophobicContact CG2-CG 3.7Å; A57-M60 HydrophobicContact CB-CE 3.64Å; A57-M60 HydrophobicContact CB-CG 4.1Å; M60-K62 PolarHBondContact O-N 3.41Å; M60-V136 HydrophobicContact CE-CB 3.85Å; M60-V136 WeakPolarHBondContact CE-O 3.36Å; M60-A138 HydrophobicContact SD-CB 4.09Å; M60-Y173 HydrophobicContact CE-CD1 3.53Å; M60-Y173 HydrophobicContact CE-CE1 4.35Å; M60-Y173 HydrophobicContact CE-CG 3.63Å
61S96.1Very high97.8Very high7 Ų760.2 Ų60.25%0.04930%0.302CS..  trans-59.6142.8171.475.90000110.4R43 Y59 L63 T140R43-S61 PolarHBondContact NE-O 3.23Å; R43-S61 VanDerWaalsContact NE-O 3.09Å; R43-S61 PolarHBondContact NH2-O 2.88Å; R43-S61 PolarHBondContact NH2-OG 3.06Å; Y59-S61 VanDerWaalsContact CE1-N 3.35Å; Y59-S61 WeakPolarHBondContact OH-CA 3.49Å; S61-L63 PolarHBondContact O-N 3Å; S61-L63 VanDerWaalsContact O-N 3.15Å; S61-T140 PolarHBondContact OG-O 2.99Å
62K97.5Very high97.8Very high168 Ų16861.8 Ų61.873%0.7331%0.308SS*.  trans-77.399.6168.9-174177.6-175.7175.50108.4M60 K64M60-K62 PolarHBondContact O-N 3.41Å; K62-K64 PolarHBondContact O-N 2.98Å
63L98.7Very high97.9Very high0 Ų055.3 Ų55.30%027%0.273CS..PPolyproline II helixtrans-50.3134.3-178.2-63.7180000111.7L36 H39 R40 S61 T140 T141 I143L36-L63 HydrophobicContact CD1-CB 4.1Å; H39-L63 HydrophobicContact CB-CD1 3.74Å; R40-L63 HydrophobicContact CG-CB 4.35Å; R40-L63 PolarHBondContact NE-O 2.83Å; R40-L63 PolarHBondContact NH2-O 2.87Å; S61-L63 PolarHBondContact O-N 3Å; S61-L63 VanDerWaalsContact O-N 3.15Å; L63-T140 HydrophobicContact CD2-CG2 3.83Å; L63-T140 WeakPolarHBondContact CD2-O 3.38Å; L63-T141 CarbonylContact C-O 3.53Å; L63-T141 WeakPolarHBondContact CA-O 3.45Å; L63-I143 HydrophobicContact CB-CG2 3.99Å; L63-I143 HydrophobicContact CD1-CB 4.3Å; L63-I143 HydrophobicContact CD1-CD1 4.34Å; L63-I143 HydrophobicContact CD1-CG2 4.11Å
64K98Very high97.9Very high104 Ų10454.4 Ų54.445%0.45225%0.248SC..EExtended strand (participates in β ladder)trans-103.8152.1169.365-178.5177178.70110.9K62 T141 D142 I143K62-K64 PolarHBondContact O-N 2.98Å; K64-T141 WeakPolarHBondContact CG-O 3.45Å; K64-T141 PolarHBondContact N-O 3.19Å; K64-D142 WeakPolarHBondContact CE-OD1 3.23Å; K64-D142 WeakPolarHBondContact CE-OD2 3.28Å; K64-D142 HydrophobicContact CG-CB 4.46Å; K64-D142 IonicContact NZ-OD2 2.69Å; K64-D142 WeakPolarHBondContact O-CA 3.37Å; K64-I143 PolarHBondContact O-N 3.48Å
65W98.2Very high97.9Very high31 Ų3156.6 Ų56.612%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-75.2133.6174.9-167.9-97.1000110.2L28 S32 L36 Y67 A70 I143 C145L28-W65 HydrophobicContact CD1-CB 4.15Å; L28-W65 HydrophobicContact CD1-CD2 4.37Å; L28-W65 HydrophobicContact CD1-CG 4.21Å; L28-W65 HydrophobicContact CD2-CB 3.97Å; L28-W65 HydrophobicContact CD2-CD2 3.75Å; L28-W65 HydrophobicContact CD2-CG 3.4Å; L28-W65 VanDerWaalsContact CD2-CG 3.4Å; L28-W65 HydrophobicContact CG-CG 4.45Å; S32-W65 VanDerWaalsContact CB-CH2 3.42Å; S32-W65 VanDerWaalsContact CB-CZ2 3.45Å; S32-W65 WeakPolarHBondContact O-CZ3 3.32Å; S32-W65 VanDerWaalsContact OG-CZ2 3.29Å; S32-W65 WeakPolarHBondContact OG-CZ2 3.48Å; L36-W65 HydrophobicContact CB-CE3 4.11Å; L36-W65 HydrophobicContact CB-CZ3 4.4Å; L36-W65 HydrophobicContact CD2-CB 4.25Å; W65-Y67 AromaticContact CD1-CD1 3.75Å; W65-Y67 AromaticContact CD1-CE1 3.61Å; W65-Y67 AromaticContact CD1-CZ 3.84Å; W65-Y67 AromaticContact NE1-CD1 3.68Å; W65-Y67 AromaticContact NE1-CE1 3.71Å; W65-A70 HydrophobicContact CH2-CB 4.48Å; W65-A70 HydrophobicContact CZ2-CB 3.48Å; W65-A70 VanDerWaalsContact CZ2-CB 3.48Å; W65-I143 CarbonylContact C-O 3.39Å; W65-I143 VanDerWaalsContact CA-O 3.3Å; W65-I143 WeakPolarHBondContact CA-O 3.49Å; W65-I143 HydrophobicContact CE3-CG2 4.38Å; W65-C145 HydrophobicContact CH2-CB 3.76Å; W65-C145 WeakPolarHBondContact CH2-O 3.35Å; W65-C145 WeakPolarHBondContact CZ2-O 3.43Å; W65-C145 HydrophobicContact CZ3-CB 4.26Å
66N97.9Very high97.8Very high22 Ų2256.1 Ų56.112%0.11826%0.261CS..  trans-118.5116.5175.8-175.1-55.5000109.4D68 L69 A70 D142 I143N66-D68 PolarHBondContact OD1-N 2.89Å; N66-D68 VanDerWaalsContact OD1-N 3.16Å; N66-L69 HydrophobicContact CB-CB 4.09Å; N66-L69 HydrophobicContact CB-CD1 3.99Å; N66-L69 HydrophobicContact CB-CG 4.04Å; N66-L69 PolarHBondContact OD1-N 2.93Å; N66-A70 WeakPolarHBondContact O-CB 3.32Å; N66-A70 PolarHBondContact O-N 3Å; N66-D142 HydrophobicContact CB-CB 3.93Å; N66-D142 PolarHBondContact ND2-OD1 2.98Å; N66-I143 PolarHBondContact N-O 3.46Å
67Y96.6Very high97.8Very high98 Ų9856.1 Ų56.138%0.38426%0.26SS..Hα-helixtrans-69.2-37.1-173.9-72.4-71.7000113.1K26 L28 W65 A70 Q71K26-Y67 HydrophobicContact CB-CE1 4.31Å; K26-Y67 HydrophobicContact CD-CE1 4.13Å; K26-Y67 HydrophobicContact CG-CE1 4.36Å; K26-Y67 PolarHBondContact O-OH 3.2Å; L28-Y67 HydrophobicContact CD2-CE1 4.04Å; L28-Y67 WeakPolarHBondContact CD2-OH 3.37Å; W65-Y67 AromaticContact CD1-CD1 3.75Å; W65-Y67 AromaticContact CD1-CE1 3.61Å; W65-Y67 AromaticContact CD1-CZ 3.84Å; W65-Y67 AromaticContact NE1-CD1 3.68Å; W65-Y67 AromaticContact NE1-CE1 3.71Å; Y67-A70 WeakPolarHBondContact O-CB 3.4Å; Y67-A70 PolarHBondContact O-N 2.67Å; Y67-Q71 PolarHBondContact O-N 2.99Å
68D97.1Very high97.7Very high111 Ų11160.7 Ų60.759%0.59429%0.285SS*.Hα-helixtrans-67.3-41.9179-60.4-19.7000111.1N66 A70 Q71 Q72N66-D68 PolarHBondContact OD1-N 2.89Å; N66-D68 VanDerWaalsContact OD1-N 3.16Å; D68-A70 VanDerWaalsContact C-N 3.3Å; D68-A70 PolarHBondContact O-N 2.83Å; D68-Q71 PolarHBondContact O-N 3.39Å; D68-Q72 WeakPolarHBondContact O-CG 3.3Å; D68-Q72 PolarHBondContact O-N 3.25Å; D68-Q72 PolarHBondContact O-NE2 2.91Å
69L98.5Very high97.6Very high1 Ų162.3 Ų62.31%0.00529%0.289CS..Hα-helixtrans-62.7-39.7173.3-69-171.7000111.5N66 A73 F92 V95 D142 N160N66-L69 HydrophobicContact CB-CB 4.09Å; N66-L69 HydrophobicContact CB-CD1 3.99Å; N66-L69 HydrophobicContact CB-CG 4.04Å; N66-L69 PolarHBondContact OD1-N 2.93Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 3.01Å; L69-F92 HydrophobicContact CD1-CE2 4.44Å; L69-V95 HydrophobicContact CD2-CG1 3.74Å; L69-V95 HydrophobicContact CD2-CG2 4.01Å; L69-D142 HydrophobicContact CD1-CB 4.24Å; L69-N160 HydrophobicContact CB-CB 4.07Å; L69-N160 HydrophobicContact CD2-CB 4.3Å; L69-N160 PolarHBondContact O-ND2 2.8Å
70A98.5Very high97.5Very high11 Ų1156.6 Ų56.69%0.09127%0.27CS..Hα-helixtrans-68-39.617900000112.5W65 N66 Y67 D68 A73 Q74W65-A70 HydrophobicContact CH2-CB 4.48Å; W65-A70 HydrophobicContact CZ2-CB 3.48Å; W65-A70 VanDerWaalsContact CZ2-CB 3.48Å; N66-A70 WeakPolarHBondContact O-CB 3.32Å; N66-A70 PolarHBondContact O-N 3Å; Y67-A70 WeakPolarHBondContact O-CB 3.4Å; Y67-A70 PolarHBondContact O-N 2.67Å; D68-A70 VanDerWaalsContact C-N 3.3Å; D68-A70 PolarHBondContact O-N 2.83Å; A70-A73 PolarHBondContact O-N 3.05Å; A70-Q74 WeakPolarHBondContact O-CB 3.43Å; A70-Q74 PolarHBondContact O-N 3.23Å
71Q97.6Very high97.3Very high147 Ų14759.2 Ų59.269%0.68728%0.284SS*.Hα-helixtrans-61.2-45.4176.4-178.5177.9-5000111.2Y67 D68 Q74 S75Y67-Q71 PolarHBondContact O-N 2.99Å; D68-Q71 PolarHBondContact O-N 3.39Å; Q71-Q74 PolarHBondContact O-N 2.81Å; Q71-S75 PolarHBondContact O-N 2.87Å
72Q97.8Very high96.9Very high44 Ų4463.7 Ų63.721%0.20631%0.307CS..Hα-helixtrans-64-42.6176-69174.268.800112D68 Q74 S75 L76 H88D68-Q72 WeakPolarHBondContact O-CG 3.3Å; D68-Q72 PolarHBondContact O-N 3.25Å; D68-Q72 PolarHBondContact O-NE2 2.91Å; Q72-Q74 VanDerWaalsContact C-N 3.34Å; Q72-Q74 PolarHBondContact O-N 2.05Å; Q72-S75 PolarHBondContact O-N 3.36Å; Q72-L76 PolarHBondContact O-N 2.93Å; Q72-L76 VanDerWaalsContact O-N 3.09Å; Q72-H88 PolarHBondContact NE2-O 3.47Å; Q72-H88 PolarHBondContact OE1-CE1 3.38Å; Q72-H88 PolarHBondContact OE1-ND1 2.86Å; Q72-H88 VanDerWaalsContact OE1-ND1 3.13Å; Q72-H88 PolarHBondContact OE1-O 2.84Å
73A98.3Very high96.5Very high0 Ų064 Ų640%030%0.303CS..Hα-helixtrans-62.4-41.5176.300000111.8L69 A70 L76 A77 V158 N160L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 3.01Å; A70-A73 PolarHBondContact O-N 3.05Å; A73-L76 PolarHBondContact O-N 3.18Å; A73-A77 WeakPolarHBondContact O-CB 3.36Å; A73-A77 PolarHBondContact O-N 3.27Å; A73-V158 HydrophobicContact CB-CB 4.1Å; A73-V158 HydrophobicContact CB-CG1 3.87Å; A73-N160 PolarHBondContact N-ND2 2.76Å
74Q98Very high95.6Very high62 Ų6272 Ų7229%0.2934%0.341SS..Hα-helixtrans-65.3-42176.6-172.26557.200112A70 Q71 Q72 L76 A77 N78 G146 V147A70-Q74 WeakPolarHBondContact O-CB 3.43Å; A70-Q74 PolarHBondContact O-N 3.23Å; Q71-Q74 PolarHBondContact O-N 2.81Å; Q72-Q74 VanDerWaalsContact C-N 3.34Å; Q72-Q74 PolarHBondContact O-N 2.05Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L76 PolarHBondContact O-N 2.94Å; Q74-A77 PolarHBondContact O-N 3.35Å; Q74-N78 PolarHBondContact NE2-OD1 2.85Å; Q74-N78 PolarHBondContact O-N 3.41Å; Q74-N78 PolarHBondContact O-ND2 3.44Å; Q74-N78 PolarHBondContact O-OD1 2.92Å; Q74-G146 VanDerWaalsContact OE1-CA 3.22Å; Q74-V147 PolarHBondContact NE2-O 3.28Å; Q74-V147 PolarHBondContact OE1-O 3.22Å
75S97.2Very high95Very high61 Ų6168 Ų6843%0.42733%0.329SS..Hα-helixtrans-56.8-45.7174.41800000111.1Q71 Q72 N78 Y79Q71-S75 PolarHBondContact O-N 2.87Å; Q72-S75 PolarHBondContact O-N 3.36Å; S75-N78 PolarHBondContact O-N 3.42Å; S75-Y79 WeakPolarHBondContact O-CD2 3.49Å; S75-Y79 VanDerWaalsContact O-CE2 3.3Å; S75-Y79 WeakPolarHBondContact O-CE2 3.29Å
76L97.1Very high94.6Very high20 Ų2076 Ų7611%0.10536%0.364CS..Hα-helixtrans-66.5-44.7177-175.156.6000112.6Q72 A73 Q74 N78 Y79 M99 V158Q72-L76 PolarHBondContact O-N 2.93Å; Q72-L76 VanDerWaalsContact O-N 3.09Å; A73-L76 PolarHBondContact O-N 3.18Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L76 PolarHBondContact O-N 2.94Å; L76-N78 PolarHBondContact O-N 3.37Å; L76-Y79 PolarHBondContact O-N 3.02Å; L76-Y79 VanDerWaalsContact O-N 3.12Å; L76-M99 HydrophobicContact CD2-SD 3.63Å; L76-M99 HydrophobicContact CG-SD 4.41Å; L76-V158 HydrophobicContact CB-CG1 4.47Å; L76-V158 HydrophobicContact CB-CG2 4.32Å; L76-V158 HydrophobicContact CD2-CG1 4.09Å; L76-V158 HydrophobicContact CD2-CG2 4.38Å; L76-V158 HydrophobicContact CG-CG2 4.19Å
77A97.7Very high94.5Very high0 Ų076 Ų760%037%0.366CS..Hα-helixtrans-57.5-37.2179.500000112.2A73 Q74 Y79 C80 A148 S156 V158A73-A77 WeakPolarHBondContact O-CB 3.36Å; A73-A77 PolarHBondContact O-N 3.27Å; Q74-A77 PolarHBondContact O-N 3.35Å; A77-Y79 PolarHBondContact O-N 2.91Å; A77-C80 PolarHBondContact O-N 2.96Å; A77-A148 HydrophobicContact CB-CB 4.07Å; A77-A148 VanDerWaalsContact O-CB 3.31Å; A77-A148 WeakPolarHBondContact O-CB 3.06Å; A77-S156 WeakPolarHBondContact O-CB 3.06Å; A77-S156 PolarHBondContact O-OG 3.15Å; A77-V158 HydrophobicContact CB-CB 4.42Å; A77-V158 HydrophobicContact CB-CG2 3.88Å
78N97.1Very high94.4Very high97 Ų9777.5 Ų77.552%0.51938%0.376SS..THydrogen-bonded Turntrans-63-22.8-179.8-69.1-12.5000113.9Q74 S75 L76 C80Q74-N78 PolarHBondContact NE2-OD1 2.85Å; Q74-N78 PolarHBondContact O-N 3.41Å; Q74-N78 PolarHBondContact O-ND2 3.44Å; Q74-N78 PolarHBondContact O-OD1 2.92Å; S75-N78 PolarHBondContact O-N 3.42Å; L76-N78 PolarHBondContact O-N 3.37Å; N78-C80 PolarHBondContact O-N 3.07Å
79Y96.1Very high94.4Very high155 Ų15573.8 Ų73.861%0.60836%0.359SS*.THydrogen-bonded Turntrans-74.6-14176.2-70.7-80.7000113.1S75 L76 A77 I81S75-Y79 WeakPolarHBondContact O-CD2 3.49Å; S75-Y79 VanDerWaalsContact O-CE2 3.3Å; S75-Y79 WeakPolarHBondContact O-CE2 3.29Å; L76-Y79 PolarHBondContact O-N 3.02Å; L76-Y79 VanDerWaalsContact O-N 3.12Å; A77-Y79 PolarHBondContact O-N 2.91Å; Y79-I81 PolarHBondContact O-N 3.13Å
80C95.9Very high94.3Very high31 Ų3184.5 Ų84.521%0.20941%0.405CS..  trans5440.5-179.4-66.30000113.2A77 N78 F101 C150A77-C80 PolarHBondContact O-N 2.96Å; N78-C80 PolarHBondContact O-N 3.07Å; C80-F101 WeakPolarHBondContact O-CZ 3.39Å; C80-C150 VanDerWaalsContact CA-SG 3.51Å; C80-C150 HydrophobicContact CB-CB 3.68Å; C80-C150 WeakPolarHBondContact CB-SG 3.46Å; C80-C150 VanDerWaalsContact SG-CA 3.53Å; C80-C150 WeakPolarHBondContact SG-CB 3.33Å; C80-C150 CovalentContact SG-SG 2.03Å; C80-C150 PolarHBondContact SG-SG 2.8Å
81I92.9Very high94.2Very high74 Ų7489.5 Ų89.538%0.37943%0.425SS..  trans-132.5146.7175.962.4179.4000110.6Y79 R83Y79-I81 PolarHBondContact O-N 3.13Å; I81-R83 HydrophobicContact CD1-CB 3.95Å; I81-R83 HydrophobicContact CG1-CB 4.18Å; I81-R83 PolarHBondContact O-N 2.7Å
82L88.7Confident94.2Very high100 Ų10083.4 Ų83.452%0.52440%0.396SS..  trans-91.675.1169.5-62.4178.1000109.4M99 F101L82-M99 HydrophobicContact CD2-CB 3.85Å; L82-F101 HydrophobicContact CD1-CD2 3.79Å; L82-F101 HydrophobicContact CD1-CE2 3.94Å; L82-F101 HydrophobicContact CD2-CD2 4.28Å; L82-F101 HydrophobicContact CD2-CE2 4.22Å; L82-F101 HydrophobicContact CD2-CZ 4.38Å; L82-F101 HydrophobicContact CG-CD2 3.83Å; L82-F101 HydrophobicContact CG-CE2 3.55Å; L82-F101 HydrophobicContact CG-CZ 4.04Å
83R88.2Confident94.1Very high174 Ų17489.8 Ų89.866%0.65743%0.43SS*.  trans-113.9136172.9-171.317577.3171.50.9109.6I81 G85 M99I81-R83 HydrophobicContact CD1-CB 3.95Å; I81-R83 HydrophobicContact CG1-CB 4.18Å; I81-R83 PolarHBondContact O-N 2.7Å; R83-G85 PolarHBondContact O-N 3.14Å; R83-M99 WeakPolarHBondContact O-CE 3.3Å; R83-M99 VanDerWaalsContact O-SD 3.33Å
84Q81.2Confident94Very high170 Ų17093.3 Ų93.379%0.79445%0.448SS*.  trans-52117172.5-168.2177.918.900109.8
85G84.6Confident94Very high19 Ų1991 Ų9120%0.19644%0.439CS..  trans-77.2173.3170.700000111.6R83 P87R83-G85 PolarHBondContact O-N 3.14Å; G85-P87 WeakPolarHBondContact O-CD 3.46Å
86K90.9Very high94Very high198 Ų19888.6 Ų88.686%0.86142%0.423SS*.  trans-120.865.5167.5-64.6-176.4-179.5-177.80109.1
87P94.3Very high94.1Very high23 Ų2389.5 Ų89.515%0.14943%0.427CS..  trans-63.7141.3178.931.7-36.4000109.3G85 V95 Q97 N160G85-P87 WeakPolarHBondContact O-CD 3.46Å; P87-V95 HydrophobicContact CB-CB 4.1Å; P87-V95 HydrophobicContact CB-CG1 3.69Å; P87-V95 HydrophobicContact CG-CB 4Å; P87-V95 HydrophobicContact CG-CG1 3.77Å; P87-Q97 HydrophobicContact CG-CB 4.29Å; P87-N160 HydrophobicContact CB-CB 4.4Å
88H95.4Very high94.1Very high130 Ų13089.6 Ų89.660%0.60243%0.427SS*.  trans-134.8162.3-176.659.3-83.5000110.6Q72Q72-H88 PolarHBondContact NE2-O 3.47Å; Q72-H88 PolarHBondContact OE1-CE1 3.38Å; Q72-H88 PolarHBondContact OE1-ND1 2.86Å; Q72-H88 VanDerWaalsContact OE1-ND1 3.13Å; Q72-H88 PolarHBondContact OE1-O 2.84Å
89S96.8Very high94.1Very high32 Ų3286.7 Ų86.722%0.22441%0.411CS..  trans-149.3142.5179.9175.70000110K91 F92S89-K91 PolarHBondContact O-N 2.85Å; S89-K91 PolarHBondContact OG-N 3.34Å; S89-F92 VanDerWaalsContact OG-CD2 3.31Å; S89-F92 WeakPolarHBondContact OG-CD2 3.42Å; S89-F92 PolarHBondContact OG-N 2.88Å
90K95.3Very high94.2Very high227 Ų22780 Ų8099%0.98739%0.387SS*.SBendtrans-68.8-21.6168.1-64.8-178.2179.3179.50112.2
91K96.8Very high94.3Very high116 Ų11681.2 Ų81.250%0.50439%0.39SS..SBendtrans-96.4-28.4-175.5-179.3-177169.7-159.90113.3S89 D142S89-K91 PolarHBondContact O-N 2.85Å; S89-K91 PolarHBondContact OG-N 3.34Å; K91-D142 IonicContact NZ-OD1 3.57Å; K91-D142 IonicContact NZ-OD2 3.73Å; K91-D142 PolarHBondContact NZ-OD2 3.3Å
92F97.3Very high94.5Very high19 Ų1978.4 Ų78.48%0.08338%0.377CS..  trans-123.4128.3-172.5-51.5-63.6000110.6L69 S89 L94 V95 D142 G162 P163L69-F92 HydrophobicContact CD1-CE2 4.44Å; S89-F92 VanDerWaalsContact OG-CD2 3.31Å; S89-F92 WeakPolarHBondContact OG-CD2 3.42Å; S89-F92 PolarHBondContact OG-N 2.88Å; F92-L94 VanDerWaalsContact C-N 3.28Å; F92-L94 PolarHBondContact O-N 3.38Å; F92-V95 HydrophobicContact CB-CG2 4.34Å; F92-D142 HydrophobicContact CE2-CB 3.7Å; F92-D142 HydrophobicContact CZ-CB 3.68Å; F92-D142 VanDerWaalsContact CZ-CG 3.46Å; F92-D142 VanDerWaalsContact CZ-OD2 3.31Å; F92-D142 WeakPolarHBondContact CZ-OD2 3.28Å; F92-G162 VanDerWaalsContact CD2-CA 3.45Å; F92-G162 WeakPolarHBondContact CZ-O 3.41Å; F92-P163 HydrophobicContact CD1-CB 4.14Å
93I95.6Very high95Very high177 Ų17778.4 Ų78.491%0.90839%0.386SS*.SBendtrans-60-42.3176.5-62.7172.3000110.7
94L96.4Very high95.4Very high74 Ų7473 Ų7339%0.38737%0.372SS..  trans-122.4140.9178.1-17570.3000109.9F92 G164 W167F92-L94 VanDerWaalsContact C-N 3.28Å; F92-L94 PolarHBondContact O-N 3.38Å; L94-G164 PolarHBondContact O-N 3.18Å; L94-W167 HydrophobicContact CB-CZ2 4.16Å; L94-W167 HydrophobicContact CD2-CZ2 3.88Å
95V98.4Very high96.3Very high15 Ų1565.3 Ų65.39%0.09134%0.336CS..  trans-122.4122.2171.7-179.70000108.7L69 P87 F92 N160 Y161L69-V95 HydrophobicContact CD2-CG1 3.74Å; L69-V95 HydrophobicContact CD2-CG2 4.01Å; P87-V95 HydrophobicContact CB-CB 4.1Å; P87-V95 HydrophobicContact CB-CG1 3.69Å; P87-V95 HydrophobicContact CG-CB 4Å; P87-V95 HydrophobicContact CG-CG1 3.77Å; F92-V95 HydrophobicContact CB-CG2 4.34Å; V95-N160 HydrophobicContact CG1-CB 3.84Å; V95-Y161 CarbonylContact C-O 3.58Å; V95-Y161 VanDerWaalsContact CA-O 3.31Å; V95-Y161 WeakPolarHBondContact CA-O 3.49Å; V95-Y161 WeakPolarHBondContact CG1-O 3.48Å
96G97.9Very high96.9Very high9 Ų969.3 Ų69.39%0.09335%0.348CS..EExtended strand (participates in β ladder)trans-78.3161.8175.500000111.7N160 Y161G96-N160 CarbonylContact O-C 3.55Å; G96-N160 VanDerWaalsContact O-CA 3.24Å; G96-N160 WeakPolarHBondContact O-CA 3.48Å; G96-Y161 PolarHBondContact N-O 3.25Å; G96-Y161 PolarHBondContact O-N 3.21Å
97Q98Very high97.3Very high39 Ų3961.9 Ų61.918%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-146.1132-179.2-177.7167.987.900112.3P87 M99 V158 C159 N160P87-Q97 HydrophobicContact CG-CB 4.29Å; Q97-M99 HydrophobicContact CG-CG 3.95Å; Q97-M99 HydrophobicContact CG-SD 4.43Å; Q97-V158 HydrophobicContact CG-CG1 4.1Å; Q97-C159 CarbonylContact C-O 3.54Å; Q97-C159 VanDerWaalsContact CA-O 3.29Å; Q97-C159 WeakPolarHBondContact CA-O 3.32Å; Q97-N160 PolarHBondContact NE2-OD1 3.41Å
98N98.3Very high97.5Very high2 Ų260.9 Ų60.91%0.01132%0.315CS..EExtended strand (participates in β ladder)trans-116.3141.8167.3-692.5000109.3W112 H131 V158 C159 Y161N98-W112 HydrophobicContact CB-CD2 4.01Å; N98-W112 HydrophobicContact CB-CE3 4.13Å; N98-W112 HydrophobicContact CB-CH2 3.92Å; N98-W112 HydrophobicContact CB-CZ2 3.79Å; N98-W112 HydrophobicContact CB-CZ3 4.08Å; N98-H131 WeakPolarHBondContact ND2-CA 3.32Å; N98-H131 PolarHBondContact ND2-O 3.22Å; N98-V158 WeakPolarHBondContact O-CA 3.31Å; N98-C159 PolarHBondContact N-O 3.11Å; N98-C159 PolarHBondContact O-N 2.91Å; N98-Y161 HydrophobicContact CB-CE2 3.81Å; N98-Y161 PolarHBondContact ND2-OH 3Å
99M97.9Very high97.7Very high36 Ų3654.7 Ų54.718%0.17729%0.286CS..EExtended strand (participates in β ladder)trans-138.2145.6179.3-59.7-178.8-77.700111.1L76 L82 R83 Q97 W112 I157 V158L76-M99 HydrophobicContact CD2-SD 3.63Å; L76-M99 HydrophobicContact CG-SD 4.41Å; L82-M99 HydrophobicContact CD2-CB 3.85Å; R83-M99 WeakPolarHBondContact O-CE 3.3Å; R83-M99 VanDerWaalsContact O-SD 3.33Å; Q97-M99 HydrophobicContact CG-CG 3.95Å; Q97-M99 HydrophobicContact CG-SD 4.43Å; M99-W112 VanDerWaalsContact C-CZ2 3.47Å; M99-W112 PolarHBondContact O-NE1 3.35Å; M99-I157 VanDerWaalsContact CA-O 3.32Å; M99-I157 WeakPolarHBondContact CA-O 2.82Å; M99-V158 HydrophobicContact CG-CB 4.44Å; M99-V158 HydrophobicContact CG-CG1 4.1Å; M99-V158 HydrophobicContact CG-CG2 4.01Å
100A97.8Very high97.8Very high14 Ų1454.8 Ų54.812%0.11628%0.284CS..EExtended strand (participates in β ladder)trans-156.3149.517500000111.1A108 W112 I157A100-A108 HydrophobicContact CB-CB 4.04Å; A100-W112 HydrophobicContact CB-CZ2 3.69Å; A100-I157 PolarHBondContact N-O 3.29Å; A100-I157 PolarHBondContact O-N 3.05Å
101F98Very high97.9Very high58 Ų5846.6 Ų46.625%0.25426%0.259SS..EExtended strand (participates in β ladder)trans-93.3136.1152.8-64.7-51.6000109.5C80 L82 Y153 L155C80-F101 WeakPolarHBondContact O-CZ 3.39Å; L82-F101 HydrophobicContact CD1-CD2 3.79Å; L82-F101 HydrophobicContact CD1-CE2 3.94Å; L82-F101 HydrophobicContact CD2-CD2 4.28Å; L82-F101 HydrophobicContact CD2-CE2 4.22Å; L82-F101 HydrophobicContact CD2-CZ 4.38Å; L82-F101 HydrophobicContact CG-CD2 3.83Å; L82-F101 HydrophobicContact CG-CE2 3.55Å; L82-F101 HydrophobicContact CG-CZ 4.04Å; F101-Y153 HydrophobicContact CD1-CG 4.3Å; F101-Y153 HydrophobicContact CD2-CD1 4.26Å; F101-Y153 HydrophobicContact CD2-CD2 4.44Å; F101-Y153 AromaticContact CD2-CG 3.98Å; F101-Y153 HydrophobicContact CD2-CG 3.98Å; F101-Y153 HydrophobicContact CE1-CD2 4.1Å; F101-Y153 HydrophobicContact CE1-CG 4.29Å; F101-Y153 HydrophobicContact CE2-CD1 4.35Å; F101-Y153 AromaticContact CE2-CD2 3.95Å; F101-Y153 HydrophobicContact CE2-CD2 3.95Å; F101-Y153 HydrophobicContact CE2-CE2 4.37Å; F101-Y153 AromaticContact CE2-CG 3.94Å; F101-Y153 HydrophobicContact CE2-CG 3.94Å; F101-Y153 HydrophobicContact CG-CG 4.16Å; F101-Y153 AromaticContact CZ-CD2 3.79Å; F101-Y153 HydrophobicContact CZ-CD2 3.79Å; F101-Y153 HydrophobicContact CZ-CE2 4.35Å; F101-Y153 HydrophobicContact CZ-CG 4.13Å; F101-L155 CarbonylContact C-O 3.56Å; F101-L155 VanDerWaalsContact CA-O 3.27Å; F101-L155 WeakPolarHBondContact CA-O 3.49Å
102A97.8Very high98Very high15 Ų1541.4 Ų41.412%0.12424%0.236CC..EExtended strand (participates in β ladder)trans-157.7155.5178.300000112.2T104 A108 L155 I157A102-T104 VanDerWaalsContact C-N 3.26Å; A102-T104 WeakPolarHBondContact CB-O 3.41Å; A102-T104 PolarHBondContact O-N 3.34Å; A102-A108 HydrophobicContact CB-CB 3.7Å; A102-L155 PolarHBondContact N-O 2.94Å; A102-L155 WeakPolarHBondContact O-CA 3.47Å; A102-L155 VanDerWaalsContact O-CB 3.32Å; A102-L155 WeakPolarHBondContact O-CB 3.48Å; A102-L155 PolarHBondContact O-N 2.89Å; A102-I157 HydrophobicContact CB-CD1 4.48Å
103S97.5Very high98.1Very high100 Ų10041.1 Ų41.170%0.69924%0.235SC*.SBendtrans-64.4-31.5172580000112.7
104T98.3Very high98.2Very high61 Ų6135.9 Ų35.937%0.37421%0.209SC..SBendtrans-142.4158.3179.375.90000112.4A102 K106 S107 A108A102-T104 VanDerWaalsContact C-N 3.26Å; A102-T104 WeakPolarHBondContact CB-O 3.41Å; A102-T104 PolarHBondContact O-N 3.34Å; T104-K106 PolarHBondContact O-N 3.36Å; T104-K106 PolarHBondContact OG1-N 3.44Å; T104-S107 PolarHBondContact N-OG 3.03Å; T104-S107 PolarHBondContact O-N 2.97Å; T104-S107 PolarHBondContact O-OG 3.21Å; T104-S107 PolarHBondContact OG1-N 3.21Å; T104-S107 PolarHBondContact OG1-OG 3.47Å; T104-A108 PolarHBondContact O-N 3.18Å
105I98.7Very high98.3Very high7 Ų733.9 Ų33.94%0.03620%0.197CC..Hα-helixtrans-55.3-39.1169.1-71.4171.3000112.1N31 K34 L35 L38 V109 V147 L155 I157N31-I105 HydrophobicContact CB-CD1 3.58Å; N31-I105 WeakPolarHBondContact OD1-CD1 3.43Å; K34-I105 HydrophobicContact CB-CG2 4.44Å; K34-I105 HydrophobicContact CD-CB 4.15Å; K34-I105 HydrophobicContact CD-CD1 4.5Å; K34-I105 HydrophobicContact CD-CG2 3.96Å; K34-I105 HydrophobicContact CG-CG2 3.91Å; L35-I105 HydrophobicContact CD2-CG2 3.64Å; L35-I105 HydrophobicContact CG-CG2 3.74Å; L38-I105 HydrophobicContact CD1-CG2 4.03Å; I105-V109 HydrophobicContact CG2-CG2 4.44Å; I105-V109 VanDerWaalsContact O-CG2 3.31Å; I105-V109 WeakPolarHBondContact O-CG2 3.34Å; I105-V109 PolarHBondContact O-N 3.33Å; I105-V147 HydrophobicContact CD1-CG2 4.13Å; I105-V147 HydrophobicContact CG1-CG2 4.37Å; I105-L155 HydrophobicContact CG1-CD1 4.2Å; I105-I157 HydrophobicContact CB-CD1 4.45Å; I105-I157 HydrophobicContact CG1-CD1 4.04Å
106K98.7Very high98.4Very high104 Ų10434 Ų3445%0.45220%0.197SC..Hα-helixtrans-67-47-176.7-174.4-177.8-178.2-64.50110.2T104 A108 V109 D110T104-K106 PolarHBondContact O-N 3.36Å; T104-K106 PolarHBondContact OG1-N 3.44Å; K106-A108 VanDerWaalsContact C-N 3.33Å; K106-A108 PolarHBondContact O-N 3.32Å; K106-V109 PolarHBondContact O-N 3.33Å; K106-D110 WeakPolarHBondContact CG-OD2 3.49Å; K106-D110 IonicContact NZ-OD1 3.66Å; K106-D110 IonicContact NZ-OD2 2.85Å; K106-D110 PolarHBondContact NZ-OD2 3.23Å; K106-D110 VanDerWaalsContact O-CB 3.3Å; K106-D110 WeakPolarHBondContact O-CB 3.47Å; K106-D110 PolarHBondContact O-N 2.62Å
107S98.5Very high98.4Very high42 Ų4240.4 Ų40.429%0.29422%0.222SC..Hα-helixtrans-64.2-35.6-179.254.60000112.9T104 A111T104-S107 PolarHBondContact N-OG 3.03Å; T104-S107 PolarHBondContact O-N 2.97Å; T104-S107 PolarHBondContact O-OG 3.21Å; T104-S107 PolarHBondContact OG1-N 3.21Å; T104-S107 PolarHBondContact OG1-OG 3.47Å; S107-A111 VanDerWaalsContact O-CB 3.26Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 2.69Å
108A98.5Very high98.4Very high2 Ų242.7 Ų42.72%0.01724%0.235CC..Hα-helixtrans-63.3-51.2173.300000112.3A100 A102 T104 K106 D110 A111 W112 I157A100-A108 HydrophobicContact CB-CB 4.04Å; A102-A108 HydrophobicContact CB-CB 3.7Å; T104-A108 PolarHBondContact O-N 3.18Å; K106-A108 VanDerWaalsContact C-N 3.33Å; K106-A108 PolarHBondContact O-N 3.32Å; A108-D110 VanDerWaalsContact C-N 3.33Å; A108-D110 PolarHBondContact O-N 2.02Å; A108-A111 WeakPolarHBondContact O-CB 3.19Å; A108-A111 PolarHBondContact O-N 3.49Å; A108-W112 PolarHBondContact O-N 3.08Å; A108-I157 HydrophobicContact CB-CD1 3.5Å; A108-I157 VanDerWaalsContact CB-CD1 3.5Å
109V98.8Very high98.4Very high0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-68.3-36.1-177.8-175.20000111.2L35 L38 F42 I105 K106 W112 F113 M135L35-V109 HydrophobicContact CD2-CG2 3.66Å; L38-V109 HydrophobicContact CB-CB 4.45Å; L38-V109 HydrophobicContact CB-CG1 3.91Å; L38-V109 HydrophobicContact CD1-CB 4.17Å; L38-V109 HydrophobicContact CD1-CG2 4.14Å; F42-V109 HydrophobicContact CD2-CG1 3.97Å; F42-V109 HydrophobicContact CE2-CG1 3.84Å; I105-V109 HydrophobicContact CG2-CG2 4.44Å; I105-V109 VanDerWaalsContact O-CG2 3.31Å; I105-V109 WeakPolarHBondContact O-CG2 3.34Å; I105-V109 PolarHBondContact O-N 3.33Å; K106-V109 PolarHBondContact O-N 3.33Å; V109-W112 HydrophobicContact CG2-CE3 4.33Å; V109-W112 HydrophobicContact CG2-CZ3 4.26Å; V109-F113 WeakPolarHBondContact O-CB 3.41Å; V109-F113 PolarHBondContact O-N 2.95Å; V109-M135 HydrophobicContact CG1-CE 3.5Å; V109-M135 VanDerWaalsContact CG1-CE 3.5Å; V109-M135 HydrophobicContact CG1-SD 4.44Å
110D98.7Very high98.4Very high33 Ų3345 Ų4518%0.17625%0.248CC..Hα-helixtrans-64-41.3172.7-70.3-10.8000111.2F42 K106 A108 F113 N114F42-D110 WeakPolarHBondContact CZ-OD1 3.26Å; K106-D110 WeakPolarHBondContact CG-OD2 3.49Å; K106-D110 IonicContact NZ-OD1 3.66Å; K106-D110 IonicContact NZ-OD2 2.85Å; K106-D110 PolarHBondContact NZ-OD2 3.23Å; K106-D110 VanDerWaalsContact O-CB 3.3Å; K106-D110 WeakPolarHBondContact O-CB 3.47Å; K106-D110 PolarHBondContact O-N 2.62Å; A108-D110 VanDerWaalsContact C-N 3.33Å; A108-D110 PolarHBondContact O-N 2.02Å; D110-F113 PolarHBondContact O-N 3.2Å; D110-N114 WeakPolarHBondContact O-CB 3.43Å; D110-N114 VanDerWaalsContact O-CG 3.24Å; D110-N114 PolarHBondContact O-N 3.45Å; D110-N114 PolarHBondContact O-ND2 2.96Å
111A98.6Very high98.4Very high56 Ų5645.3 Ų45.346%0.46325%0.246SC..Hα-helixtrans-61.3-50.2177.700000111S107 A108 F113 N114 E115S107-A111 VanDerWaalsContact O-CB 3.26Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 2.69Å; A108-A111 WeakPolarHBondContact O-CB 3.19Å; A108-A111 PolarHBondContact O-N 3.49Å; A111-F113 VanDerWaalsContact C-N 3.33Å; A111-F113 PolarHBondContact O-N 3.2Å; A111-N114 PolarHBondContact O-N 2.79Å; A111-E115 PolarHBondContact O-N 3.42Å
112W98.8Very high98.3Very high6 Ų647.3 Ų47.32%0.02327%0.268CS..Hα-helixtrans-57.9-43.9174.6-64.9-27000112.3N98 M99 A100 A108 V109 E115 H131 Y132 M135 I157 C159N98-W112 HydrophobicContact CB-CD2 4.01Å; N98-W112 HydrophobicContact CB-CE3 4.13Å; N98-W112 HydrophobicContact CB-CH2 3.92Å; N98-W112 HydrophobicContact CB-CZ2 3.79Å; N98-W112 HydrophobicContact CB-CZ3 4.08Å; M99-W112 VanDerWaalsContact C-CZ2 3.47Å; M99-W112 PolarHBondContact O-NE1 3.35Å; A100-W112 HydrophobicContact CB-CZ2 3.69Å; A108-W112 PolarHBondContact O-N 3.08Å; V109-W112 HydrophobicContact CG2-CE3 4.33Å; V109-W112 HydrophobicContact CG2-CZ3 4.26Å; W112-E115 WeakPolarHBondContact O-CB 3.31Å; W112-E115 PolarHBondContact O-N 3.1Å; W112-H131 HydrophobicContact CB-CB 3.67Å; W112-H131 VanDerWaalsContact CD1-CB 3.49Å; W112-H131 AromaticContact CD1-CD2 3.89Å; W112-H131 AromaticContact CD1-CG 3.4Å; W112-H131 VanDerWaalsContact CD1-CG 3.4Å; W112-H131 AromaticContact CD1-ND1 3.6Å; W112-H131 HydrophobicContact CG-CB 3.66Å; W112-H131 AromaticContact NE1-CD2 3.9Å; W112-H131 AromaticContact NE1-CG 3.88Å; W112-Y132 WeakPolarHBondContact O-CA 3.47Å; W112-Y132 WeakPolarHBondContact O-CB 3.46Å; W112-Y132 PolarHBondContact O-N 2.99Å; W112-M135 HydrophobicContact CB-SD 3.43Å; W112-M135 WeakPolarHBondContact CB-SD 3.29Å; W112-M135 HydrophobicContact CE3-SD 4.24Å; W112-M135 HydrophobicContact CG-SD 4.44Å; W112-I157 HydrophobicContact CH2-CG2 3.87Å; W112-C159 HydrophobicContact CH2-CB 4.43Å; W112-C159 HydrophobicContact CZ3-CB 4.36Å
113F98.8Very high98.3Very high13 Ų1351.6 Ų51.66%0.05729%0.292CS..Hα-helixtrans-70.3-38.4-178.8-170.4-105000112.4F42 V51 V109 D110 A111 E115 H116 Y132 M135 V136F42-F113 HydrophobicContact CB-CD2 3.6Å; F42-F113 HydrophobicContact CB-CE1 4.49Å; F42-F113 HydrophobicContact CB-CE2 3.53Å; F42-F113 HydrophobicContact CB-CG 4.13Å; F42-F113 HydrophobicContact CB-CZ 3.98Å; F42-F113 HydrophobicContact CD1-CB 4.34Å; F42-F113 AromaticContact CD1-CD1 3.28Å; F42-F113 HydrophobicContact CD1-CD1 3.28Å; F42-F113 AromaticContact CD1-CD2 3.89Å; F42-F113 HydrophobicContact CD1-CD2 3.89Å; F42-F113 AromaticContact CD1-CE1 3.34Å; F42-F113 HydrophobicContact CD1-CE1 3.34Å; F42-F113 AromaticContact CD1-CE2 3.95Å; F42-F113 HydrophobicContact CD1-CE2 3.95Å; F42-F113 AromaticContact CD1-CG 3.55Å; F42-F113 HydrophobicContact CD1-CG 3.55Å; F42-F113 AromaticContact CD1-CZ 3.66Å; F42-F113 HydrophobicContact CD1-CZ 3.66Å; F42-F113 HydrophobicContact CD2-CB 4.06Å; F42-F113 HydrophobicContact CD2-CD1 4.49Å; F42-F113 HydrophobicContact CD2-CD2 4.22Å; F42-F113 AromaticContact CD2-CG 3.99Å; F42-F113 HydrophobicContact CD2-CG 3.99Å; F42-F113 HydrophobicContact CE1-CB 4.32Å; F42-F113 AromaticContact CE1-CD1 3.37Å; F42-F113 HydrophobicContact CE1-CD1 3.37Å; F42-F113 AromaticContact CE1-CE1 3.75Å; F42-F113 HydrophobicContact CE1-CE1 3.75Å; F42-F113 AromaticContact CE1-CG 3.85Å; F42-F113 HydrophobicContact CE1-CG 3.85Å; F42-F113 HydrophobicContact CE2-CB 4.04Å; F42-F113 HydrophobicContact CE2-CG 4.26Å; F42-F113 HydrophobicContact CG-CB 4.22Å; F42-F113 AromaticContact CG-CD1 3.89Å; F42-F113 HydrophobicContact CG-CD1 3.89Å; F42-F113 AromaticContact CG-CD2 3.65Å; F42-F113 HydrophobicContact CG-CD2 3.65Å; F42-F113 HydrophobicContact CG-CE1 4.13Å; F42-F113 AromaticContact CG-CE2 3.91Å; F42-F113 HydrophobicContact CG-CE2 3.91Å; F42-F113 AromaticContact CG-CG 3.63Å; F42-F113 HydrophobicContact CG-CG 3.63Å; F42-F113 HydrophobicContact CG-CZ 4.11Å; F42-F113 HydrophobicContact CZ-CB 4.16Å; F42-F113 HydrophobicContact CZ-CD1 4.04Å; F42-F113 HydrophobicContact CZ-CG 4.19Å; V51-F113 HydrophobicContact CG1-CE1 4.24Å; V51-F113 HydrophobicContact CG1-CZ 4.06Å; V51-F113 HydrophobicContact CG2-CE1 4.18Å; V51-F113 HydrophobicContact CG2-CZ 3.68Å; V109-F113 WeakPolarHBondContact O-CB 3.41Å; V109-F113 PolarHBondContact O-N 2.95Å; D110-F113 PolarHBondContact O-N 3.2Å; A111-F113 VanDerWaalsContact C-N 3.33Å; A111-F113 PolarHBondContact O-N 3.2Å; F113-E115 PolarHBondContact O-N 3.45Å; F113-E115 VanDerWaalsContact O-N 3.11Å; F113-H116 WeakPolarHBondContact O-CB 3.25Å; F113-H116 PolarHBondContact O-CD2 2.97Å; F113-H116 PolarHBondContact O-N 2.83Å; F113-Y132 AromaticContact CD2-CD2 3.91Å; F113-Y132 HydrophobicContact CD2-CD2 3.91Å; F113-Y132 HydrophobicContact CD2-CE2 4.12Å; F113-Y132 HydrophobicContact CE2-CD2 4.05Å; F113-Y132 AromaticContact CE2-CE2 3.77Å; F113-Y132 HydrophobicContact CE2-CE2 3.77Å; F113-Y132 HydrophobicContact CZ-CE2 4.35Å; F113-Y132 WeakPolarHBondContact O-CD2 3.35Å; F113-M135 HydrophobicContact CB-CE 4.02Å; F113-M135 HydrophobicContact CB-SD 4.25Å; F113-M135 HydrophobicContact CD2-CE 4.16Å; F113-V136 HydrophobicContact CD2-CG1 4.49Å; F113-V136 HydrophobicContact CE2-CG1 3.92Å
114N98.6Very high98.2Very high67 Ų6749 Ų4936%0.35827%0.27SS..Hα-helixtrans-62.5-16.1179.6-84.5-53.6000113.7D110 A111 H116 K117D110-N114 WeakPolarHBondContact O-CB 3.43Å; D110-N114 VanDerWaalsContact O-CG 3.24Å; D110-N114 PolarHBondContact O-N 3.45Å; D110-N114 PolarHBondContact O-ND2 2.96Å; A111-N114 PolarHBondContact O-N 2.79Å; N114-H116 PolarHBondContact O-N 3.26Å; N114-H116 VanDerWaalsContact O-N 3.09Å; N114-K117 WeakPolarHBondContact O-CB 3.39Å; N114-K117 WeakPolarHBondContact O-CG 3.46Å; N114-K117 PolarHBondContact O-N 3.02Å; N114-K117 VanDerWaalsContact O-N 3.11Å; N114-K117 WeakPolarHBondContact OD1-CE 3.39Å; N114-K117 PolarHBondContact OD1-NZ 2.94Å
115E98.7Very high98.1Very high32 Ų3250.5 Ų50.515%0.1528%0.276CS..G310 helixtrans-59.6-13.5168.5-67.8175.8-170.100113.3A111 W112 F113 K117 L118 Y119 Q128 C129 L130 H131 Y132A111-E115 PolarHBondContact O-N 3.42Å; W112-E115 WeakPolarHBondContact O-CB 3.31Å; W112-E115 PolarHBondContact O-N 3.1Å; F113-E115 PolarHBondContact O-N 3.45Å; F113-E115 VanDerWaalsContact O-N 3.11Å; E115-K117 PolarHBondContact O-N 3.45Å; E115-L118 WeakPolarHBondContact O-CB 3.34Å; E115-L118 PolarHBondContact O-N 3.39Å; E115-Y119 PolarHBondContact O-N 2.97Å; E115-Q128 WeakPolarHBondContact CG-O 3.39Å; E115-C129 HydrophobicContact CB-CB 4Å; E115-C129 WeakPolarHBondContact O-CB 3.48Å; E115-C129 WeakPolarHBondContact OE2-CA 3.44Å; E115-L130 PolarHBondContact OE2-N 3.5Å; E115-H131 IonicContact OE1-CE1 3.72Å; E115-H131 IonicContact OE1-CG 3.92Å; E115-H131 IonicContact OE1-ND1 2.89Å; E115-H131 PolarHBondContact OE1-ND1 2.99Å; E115-H131 WeakPolarHBondContact OE2-CA 2.95Å; E115-H131 VanDerWaalsContact OE2-CB 3.25Å; E115-H131 WeakPolarHBondContact OE2-CB 3.44Å; E115-H131 IonicContact OE2-CG 3.72Å; E115-H131 PolarHBondContact OE2-N 2.98Å; E115-H131 IonicContact OE2-ND1 2.62Å; E115-Y132 PolarHBondContact OE2-N 3.1Å
116H98.6Very high97.9Very high18 Ų1851.6 Ų51.68%0.08328%0.284CS..G310 helixtrans-52.2-25.8168.883.483.6000112.9V51 N52 Q54 F113 N114 L118 Y119 Y132V51-H116 HydrophobicContact CG1-CB 4.45Å; N52-H116 PolarHBondContact O-CE1 2.88Å; N52-H116 VanDerWaalsContact O-CE1 3.25Å; N52-H116 PolarHBondContact O-ND1 3.34Å; Q54-H116 HydrophobicContact CG-CB 4.09Å; Q54-H116 PolarHBondContact NE2-O 3.1Å; F113-H116 WeakPolarHBondContact O-CB 3.25Å; F113-H116 PolarHBondContact O-CD2 2.97Å; F113-H116 PolarHBondContact O-N 2.83Å; N114-H116 PolarHBondContact O-N 3.26Å; N114-H116 VanDerWaalsContact O-N 3.09Å; H116-L118 PolarHBondContact O-N 3.42Å; H116-Y119 PolarHBondContact O-N 3.45Å; H116-Y132 HydrophobicContact CB-CD1 4.11Å; H116-Y132 HydrophobicContact CB-CD2 3.52Å; H116-Y132 HydrophobicContact CB-CE1 3.97Å; H116-Y132 HydrophobicContact CB-CE2 3.34Å; H116-Y132 HydrophobicContact CB-CG 3.9Å
117K98.2Very high97.6Very high144 Ų14451 Ų5163%0.62629%0.291SS*.G310 helixtrans-72.4-20.3177.8-61.6169.9-173.4167.20112.7N114 E115N114-K117 WeakPolarHBondContact O-CB 3.39Å; N114-K117 WeakPolarHBondContact O-CG 3.46Å; N114-K117 PolarHBondContact O-N 3.02Å; N114-K117 VanDerWaalsContact O-N 3.11Å; N114-K117 WeakPolarHBondContact OD1-CE 3.39Å; N114-K117 PolarHBondContact OD1-NZ 2.94Å; E115-K117 PolarHBondContact O-N 3.45Å
118L98Very high97.4Very high86 Ų8655.9 Ų55.945%0.4531%0.309SS..G310 helixtrans-100-3.5-179.2-55.7177.3000112.1E115 H116 P127 Q128 C129E115-L118 WeakPolarHBondContact O-CB 3.34Å; E115-L118 PolarHBondContact O-N 3.39Å; H116-L118 PolarHBondContact O-N 3.42Å; L118-P127 WeakPolarHBondContact O-CD 3.25Å; L118-Q128 HydrophobicContact CD1-CB 4Å; L118-C129 HydrophobicContact CB-CB 4.38Å
119Y98.5Very high97.4Very high9 Ų955.8 Ų55.84%0.03531%0.308CS..  trans-96.1120.6179.6-177-130.1000111.3Q54 E115 H116 F121 N124 N125 C126 C129 Y132 T133 P172Q54-Y119 PolarHBondContact NE2-O 2.77Å; E115-Y119 PolarHBondContact O-N 2.97Å; H116-Y119 PolarHBondContact O-N 3.45Å; Y119-F121 HydrophobicContact CD1-CB 4.35Å; Y119-F121 HydrophobicContact CD1-CD2 4.44Å; Y119-F121 HydrophobicContact CE1-CB 3.92Å; Y119-F121 AromaticContact CE1-CD2 3.54Å; Y119-F121 HydrophobicContact CE1-CD2 3.54Å; Y119-F121 HydrophobicContact CE1-CE2 4.38Å; Y119-F121 HydrophobicContact CE1-CG 4.09Å; Y119-N124 PolarHBondContact OH-OD1 3.38Å; Y119-N125 VanDerWaalsContact CD2-O 3.27Å; Y119-N125 WeakPolarHBondContact CD2-O 3.49Å; Y119-C126 HydrophobicContact CD2-CB 3.94Å; Y119-C126 HydrophobicContact CE2-CB 4.33Å; Y119-C129 WeakPolarHBondContact CB-SG 3.12Å; Y119-C129 WeakPolarHBondContact CD2-SG 3.49Å; Y119-Y132 HydrophobicContact CD1-CD1 4.27Å; Y119-Y132 AromaticContact CD1-CE1 3.66Å; Y119-Y132 HydrophobicContact CD1-CE1 3.66Å; Y119-Y132 HydrophobicContact CE1-CE1 4.4Å; Y119-Y132 HydrophobicContact CG-CD1 4.41Å; Y119-Y132 HydrophobicContact CG-CE1 4.23Å; Y119-T133 HydrophobicContact CD1-CG2 4.47Å; Y119-T133 HydrophobicContact CD2-CG2 4.11Å; Y119-T133 HydrophobicContact CE1-CG2 4.47Å; Y119-T133 HydrophobicContact CE2-CG2 4.18Å; Y119-T133 HydrophobicContact CG-CG2 4.28Å; Y119-P172 HydrophobicContact CE1-CG 4.09Å; Y119-P172 VanDerWaalsContact OH-CD 3.28Å; Y119-P172 WeakPolarHBondContact OH-CD 3.3Å
120N98Very high97.3Very high77 Ų7760.6 Ų60.641%0.41233%0.334SS..BIsolated β-bridgetrans-93.9100.6168.5-173.2-29.7000109.5S122 V123 N124 N125N120-S122 VanDerWaalsContact C-N 3.33Å; N120-S122 PolarHBondContact O-N 3.21Å; N120-S122 PolarHBondContact OD1-N 3.14Å; N120-S122 VanDerWaalsContact OD1-N 3.12Å; N120-V123 HydrophobicContact CB-CG2 3.96Å; N120-V123 PolarHBondContact OD1-N 3.02Å; N120-N124 WeakPolarHBondContact O-CA 3.32Å; N120-N124 PolarHBondContact O-N 3.29Å; N120-N125 HydrophobicContact CB-CB 4.39Å; N120-N125 PolarHBondContact N-O 3.09Å; N120-N125 PolarHBondContact O-N 2.89Å; N120-N125 VanDerWaalsContact O-N 3.09Å
121F98.2Very high97.3Very high21 Ų2162 Ų629%0.09234%0.339CS..THydrogen-bonded Turntrans-60.4-41.1-178.3-168.4-78.5000112.4P55 Y119 V123 N124 K171 Y173 V175P55-F121 HydrophobicContact CG-CB 3.9Å; P55-F121 HydrophobicContact CG-CD1 3.48Å; P55-F121 VanDerWaalsContact CG-CD1 3.48Å; P55-F121 HydrophobicContact CG-CD2 3.69Å; P55-F121 HydrophobicContact CG-CE1 3.89Å; P55-F121 HydrophobicContact CG-CE2 4.15Å; P55-F121 HydrophobicContact CG-CG 3.4Å; P55-F121 HydrophobicContact CG-CZ 4.24Å; Y119-F121 HydrophobicContact CD1-CB 4.35Å; Y119-F121 HydrophobicContact CD1-CD2 4.44Å; Y119-F121 HydrophobicContact CE1-CB 3.92Å; Y119-F121 AromaticContact CE1-CD2 3.54Å; Y119-F121 HydrophobicContact CE1-CD2 3.54Å; Y119-F121 HydrophobicContact CE1-CE2 4.38Å; Y119-F121 HydrophobicContact CE1-CG 4.09Å; F121-V123 VanDerWaalsContact C-N 3.35Å; F121-V123 PolarHBondContact O-N 2.82Å; F121-N124 PolarHBondContact O-N 2.51Å; F121-K171 HydrophobicContact CD1-CD 3.91Å; F121-K171 HydrophobicContact CE1-CD 3.37Å; F121-K171 HydrophobicContact CE2-CB 4.46Å; F121-K171 HydrophobicContact CE2-CD 4.24Å; F121-K171 HydrophobicContact CZ-CB 4.2Å; F121-K171 HydrophobicContact CZ-CD 3.53Å; F121-K171 HydrophobicContact CZ-CG 4.46Å; F121-K171 WeakPolarHBondContact O-CE 3.35Å; F121-Y173 HydrophobicContact CD2-CE1 4.22Å; F121-Y173 HydrophobicContact CD2-CE2 4.02Å; F121-Y173 AromaticContact CD2-CZ 3.67Å; F121-Y173 HydrophobicContact CE2-CD1 4.29Å; F121-Y173 AromaticContact CE2-CD2 3.82Å; F121-Y173 HydrophobicContact CE2-CD2 3.82Å; F121-Y173 AromaticContact CE2-CE1 3.84Å; F121-Y173 HydrophobicContact CE2-CE1 3.84Å; F121-Y173 AromaticContact CE2-CE2 3.36Å; F121-Y173 HydrophobicContact CE2-CE2 3.36Å; F121-Y173 HydrophobicContact CE2-CG 4.28Å; F121-Y173 AromaticContact CE2-CZ 3.37Å; F121-Y173 HydrophobicContact CZ-CD2 4.2Å; F121-Y173 AromaticContact CZ-CE2 3.97Å; F121-Y173 HydrophobicContact CZ-CE2 3.97Å; F121-Y173 WeakPolarHBondContact CZ-O 3Å; F121-V175 HydrophobicContact CD1-CG2 4.18Å; F121-V175 HydrophobicContact CE1-CG2 3.29Å; F121-V175 HydrophobicContact CE2-CG2 4.25Å; F121-V175 HydrophobicContact CZ-CG2 3.36Å
122S96.5Very high97.3Very high100 Ų10059.3 Ų59.370%0.69932%0.317SS*.THydrogen-bonded Turntrans-59-45.5-172.7-58.40000112.2N120N120-S122 VanDerWaalsContact C-N 3.33Å; N120-S122 PolarHBondContact O-N 3.21Å; N120-S122 PolarHBondContact OD1-N 3.14Å; N120-S122 VanDerWaalsContact OD1-N 3.12Å
123V96.8Very high97.3Very high105 Ų10559.3 Ų59.364%0.63632%0.317SS*.THydrogen-bonded Turntrans-100.35179.5-58.50000113.6N120 F121 N125N120-V123 HydrophobicContact CB-CG2 3.96Å; N120-V123 PolarHBondContact OD1-N 3.02Å; F121-V123 VanDerWaalsContact C-N 3.35Å; F121-V123 PolarHBondContact O-N 2.82Å; V123-N125 VanDerWaalsContact C-N 3.27Å; V123-N125 HydrophobicContact CG2-CB 3.77Å; V123-N125 PolarHBondContact O-N 3.42Å
124N96.3Very high97.3Very high46 Ų4658.8 Ų58.825%0.24632%0.315CS..THydrogen-bonded Turntrans5339.8-176.4-162.627000113.7Y119 N120 F121 E170 K171Y119-N124 PolarHBondContact OH-OD1 3.38Å; N120-N124 WeakPolarHBondContact O-CA 3.32Å; N120-N124 PolarHBondContact O-N 3.29Å; F121-N124 PolarHBondContact O-N 2.51Å; N124-E170 PolarHBondContact ND2-O 3Å; N124-E170 VanDerWaalsContact ND2-O 3.1Å; N124-K171 HydrophobicContact CB-CG 4.17Å
125N96.6Very high97.3Very high92 Ų9255.7 Ų55.749%0.49230%0.299SS..BIsolated β-bridgetrans-97.6129.2-179.8-178.841.3000111.1Y119 N120 V123Y119-N125 VanDerWaalsContact CD2-O 3.27Å; Y119-N125 WeakPolarHBondContact CD2-O 3.49Å; N120-N125 HydrophobicContact CB-CB 4.39Å; N120-N125 PolarHBondContact N-O 3.09Å; N120-N125 PolarHBondContact O-N 2.89Å; N120-N125 VanDerWaalsContact O-N 3.09Å; V123-N125 VanDerWaalsContact C-N 3.27Å; V123-N125 HydrophobicContact CG2-CB 3.77Å; V123-N125 PolarHBondContact O-N 3.42Å
126C94.1Very high97.3Very high31 Ų3154.2 Ų54.221%0.20929%0.291CS..  trans-140.577-172.1-1750000111.6Y119 C129 L130Y119-C126 HydrophobicContact CD2-CB 3.94Å; Y119-C126 HydrophobicContact CE2-CB 4.33Å; C126-C129 WeakPolarHBondContact CA-SG 3.42Å; C126-C129 HydrophobicContact CB-CB 4.39Å; C126-C129 WeakPolarHBondContact CB-SG 3.3Å; C126-C129 WeakPolarHBondContact SG-CA 3.49Å; C126-C129 WeakPolarHBondContact SG-CB 3.44Å; C126-C129 PolarHBondContact SG-N 2.77Å; C126-C129 VanDerWaalsContact SG-N 3.36Å; C126-C129 CovalentContact SG-SG 2.02Å; C126-C129 PolarHBondContact SG-SG 3.15Å; C126-L130 PolarHBondContact SG-N 3.39Å
127P91.9Very high97.3Very high90 Ų9053.6 Ų53.658%0.58429%0.288SS*.SBendtrans-65.2-40.7-179.424.3-33.3000112.7L118L118-P127 WeakPolarHBondContact O-CD 3.25Å
128Q95.2Very high97.4Very high145 Ų14547.5 Ų47.568%0.67827%0.265SS*.SBendtrans-146.852.9-175.9-67.8-177.8-35.500110.3E115 L118E115-Q128 WeakPolarHBondContact CG-O 3.39Å; L118-Q128 HydrophobicContact CD1-CB 4Å
129C97.7Very high97.4Very high0 Ų049.4 Ų49.40%027%0.27CS..  trans-134.613.3-173.687.80000116.4E115 L118 Y119 C126 H131 Y132 T133E115-C129 HydrophobicContact CB-CB 4Å; E115-C129 WeakPolarHBondContact O-CB 3.48Å; E115-C129 WeakPolarHBondContact OE2-CA 3.44Å; L118-C129 HydrophobicContact CB-CB 4.38Å; Y119-C129 WeakPolarHBondContact CB-SG 3.12Å; Y119-C129 WeakPolarHBondContact CD2-SG 3.49Å; C126-C129 WeakPolarHBondContact CA-SG 3.42Å; C126-C129 HydrophobicContact CB-CB 4.39Å; C126-C129 WeakPolarHBondContact CB-SG 3.3Å; C126-C129 WeakPolarHBondContact SG-CA 3.49Å; C126-C129 WeakPolarHBondContact SG-CB 3.44Å; C126-C129 PolarHBondContact SG-N 2.77Å; C126-C129 VanDerWaalsContact SG-N 3.36Å; C126-C129 CovalentContact SG-SG 2.02Å; C126-C129 PolarHBondContact SG-SG 3.15Å; C129-H131 PolarHBondContact O-N 3.48Å; C129-Y132 WeakPolarHBondContact O-CB 3.47Å; C129-Y132 PolarHBondContact O-N 2.68Å; C129-Y132 VanDerWaalsContact O-N 3.08Å; C129-T133 PolarHBondContact O-N 3.47Å; C129-T133 PolarHBondContact O-OG1 3.47Å
130L97.6Very high97.4Very high102 Ų10249 Ų4953%0.53427%0.268SS..Hα-helixtrans-65.8-24.1-172.3-66.7179.2000113.1E115 C126 T133 Q134 N166E115-L130 PolarHBondContact OE2-N 3.5Å; C126-L130 PolarHBondContact SG-N 3.39Å; L130-T133 WeakPolarHBondContact CA-OG1 3.41Å; L130-T133 PolarHBondContact O-OG1 3.11Å; L130-Q134 VanDerWaalsContact O-CB 3.3Å; L130-Q134 WeakPolarHBondContact O-CB 3.3Å; L130-Q134 PolarHBondContact O-N 3.42Å; L130-N166 HydrophobicContact CD2-CB 4.4Å; L130-N166 PolarHBondContact O-ND2 3.23Å
131H98.5Very high97.4Very high61 Ų6147.7 Ų47.728%0.28226%0.263SS..Hα-helixtrans-72.7-44.5173.3-54.7119.6000110.3N98 W112 E115 C129 Q134 M135N98-H131 WeakPolarHBondContact ND2-CA 3.32Å; N98-H131 PolarHBondContact ND2-O 3.22Å; W112-H131 HydrophobicContact CB-CB 3.67Å; W112-H131 VanDerWaalsContact CD1-CB 3.49Å; W112-H131 AromaticContact CD1-CD2 3.89Å; W112-H131 AromaticContact CD1-CG 3.4Å; W112-H131 VanDerWaalsContact CD1-CG 3.4Å; W112-H131 AromaticContact CD1-ND1 3.6Å; W112-H131 HydrophobicContact CG-CB 3.66Å; W112-H131 AromaticContact NE1-CD2 3.9Å; W112-H131 AromaticContact NE1-CG 3.88Å; E115-H131 IonicContact OE1-CE1 3.72Å; E115-H131 IonicContact OE1-CG 3.92Å; E115-H131 IonicContact OE1-ND1 2.89Å; E115-H131 PolarHBondContact OE1-ND1 2.99Å; E115-H131 WeakPolarHBondContact OE2-CA 2.95Å; E115-H131 VanDerWaalsContact OE2-CB 3.25Å; E115-H131 WeakPolarHBondContact OE2-CB 3.44Å; E115-H131 IonicContact OE2-CG 3.72Å; E115-H131 PolarHBondContact OE2-N 2.98Å; E115-H131 IonicContact OE2-ND1 2.62Å; C129-H131 PolarHBondContact O-N 3.48Å; H131-Q134 PolarHBondContact O-N 2.93Å; H131-M135 VanDerWaalsContact O-CG 3.3Å; H131-M135 WeakPolarHBondContact O-CG 3.48Å; H131-M135 PolarHBondContact O-N 3.09Å
132Y98.8Very high97.5Very high0 Ų046.9 Ų46.90%026%0.26CS..Hα-helixtrans-58.4-54.9174.6164.2-104.1000111.4W112 F113 E115 H116 Y119 C129 Q134 M135 V136W112-Y132 WeakPolarHBondContact O-CA 3.47Å; W112-Y132 WeakPolarHBondContact O-CB 3.46Å; W112-Y132 PolarHBondContact O-N 2.99Å; F113-Y132 AromaticContact CD2-CD2 3.91Å; F113-Y132 HydrophobicContact CD2-CD2 3.91Å; F113-Y132 HydrophobicContact CD2-CE2 4.12Å; F113-Y132 HydrophobicContact CE2-CD2 4.05Å; F113-Y132 AromaticContact CE2-CE2 3.77Å; F113-Y132 HydrophobicContact CE2-CE2 3.77Å; F113-Y132 HydrophobicContact CZ-CE2 4.35Å; F113-Y132 WeakPolarHBondContact O-CD2 3.35Å; E115-Y132 PolarHBondContact OE2-N 3.1Å; H116-Y132 HydrophobicContact CB-CD1 4.11Å; H116-Y132 HydrophobicContact CB-CD2 3.52Å; H116-Y132 HydrophobicContact CB-CE1 3.97Å; H116-Y132 HydrophobicContact CB-CE2 3.34Å; H116-Y132 HydrophobicContact CB-CG 3.9Å; Y119-Y132 HydrophobicContact CD1-CD1 4.27Å; Y119-Y132 AromaticContact CD1-CE1 3.66Å; Y119-Y132 HydrophobicContact CD1-CE1 3.66Å; Y119-Y132 HydrophobicContact CE1-CE1 4.4Å; Y119-Y132 HydrophobicContact CG-CD1 4.41Å; Y119-Y132 HydrophobicContact CG-CE1 4.23Å; C129-Y132 WeakPolarHBondContact O-CB 3.47Å; C129-Y132 PolarHBondContact O-N 2.68Å; C129-Y132 VanDerWaalsContact O-N 3.08Å; Y132-Q134 PolarHBondContact O-N 2.87Å; Y132-M135 WeakPolarHBondContact O-CA 3.39Å; Y132-M135 WeakPolarHBondContact O-CB 3.47Å; Y132-M135 PolarHBondContact O-N 3.02Å; Y132-V136 HydrophobicContact CD1-CG2 4.25Å; Y132-V136 HydrophobicContact CD2-CG1 4.13Å; Y132-V136 HydrophobicContact CD2-CG2 4.21Å; Y132-V136 HydrophobicContact CE1-CG2 3.78Å; Y132-V136 HydrophobicContact CE2-CB 4.34Å; Y132-V136 HydrophobicContact CE2-CG1 3.62Å; Y132-V136 HydrophobicContact CE2-CG2 3.76Å; Y132-V136 HydrophobicContact CG-CG2 4.45Å; Y132-V136 WeakPolarHBondContact O-CG2 3.2Å; Y132-V136 PolarHBondContact O-N 3.43Å
133T98.5Very high97.6Very high6 Ų642.1 Ų42.14%0.03723%0.226CC..Hα-helixtrans-60.5-34.1-176.153.20000111.6Y119 C129 L130 V136 W137 N166 P172Y119-T133 HydrophobicContact CD1-CG2 4.47Å; Y119-T133 HydrophobicContact CD2-CG2 4.11Å; Y119-T133 HydrophobicContact CE1-CG2 4.47Å; Y119-T133 HydrophobicContact CE2-CG2 4.18Å; Y119-T133 HydrophobicContact CG-CG2 4.28Å; C129-T133 PolarHBondContact O-N 3.47Å; C129-T133 PolarHBondContact O-OG1 3.47Å; L130-T133 WeakPolarHBondContact CA-OG1 3.41Å; L130-T133 PolarHBondContact O-OG1 3.11Å; T133-V136 CarbonylContact O-C 3.55Å; T133-W137 PolarHBondContact O-N 3.35Å; T133-W137 VanDerWaalsContact O-N 3.1Å; T133-N166 WeakPolarHBondContact CB-OD1 3.41Å; T133-N166 PolarHBondContact OG1-OD1 3.33Å; T133-P172 HydrophobicContact CG2-CG 4.29Å
134Q98.7Very high97.7Very high3 Ų337.1 Ų37.11%0.01420%0.196CC..Hα-helixtrans-67-44.3171.6-178.956.884.900112.6L130 H131 Y132 V136 W137 T140 Y161 N166L130-Q134 VanDerWaalsContact O-CB 3.3Å; L130-Q134 WeakPolarHBondContact O-CB 3.3Å; L130-Q134 PolarHBondContact O-N 3.42Å; H131-Q134 PolarHBondContact O-N 2.93Å; Y132-Q134 PolarHBondContact O-N 2.87Å; Q134-V136 VanDerWaalsContact C-N 3.25Å; Q134-V136 PolarHBondContact O-N 3.39Å; Q134-W137 WeakPolarHBondContact O-CB 3.36Å; Q134-W137 PolarHBondContact O-N 2.93Å; Q134-T140 PolarHBondContact NE2-OG1 2.82Å; Q134-Y161 HydrophobicContact CG-CD1 4.32Å; Q134-Y161 HydrophobicContact CG-CD2 3.39Å; Q134-Y161 HydrophobicContact CG-CE2 3.72Å; Q134-Y161 HydrophobicContact CG-CG 3.73Å; Q134-N166 PolarHBondContact N-OD1 3.42Å
135M98.8Very high97.8Very high2 Ų235.1 Ų35.11%0.0119%0.185CC..Hα-helixtrans-59.2-38.8177.8-75.1-179.665.300112.1F42 R43 V109 W112 F113 H131 Y132F42-M135 HydrophobicContact CB-CE 4.49Å; F42-M135 HydrophobicContact CD2-CE 3.9Å; R43-M135 PolarHBondContact NH1-O 3.32Å; V109-M135 HydrophobicContact CG1-CE 3.5Å; V109-M135 VanDerWaalsContact CG1-CE 3.5Å; V109-M135 HydrophobicContact CG1-SD 4.44Å; W112-M135 HydrophobicContact CB-SD 3.43Å; W112-M135 WeakPolarHBondContact CB-SD 3.29Å; W112-M135 HydrophobicContact CE3-SD 4.24Å; W112-M135 HydrophobicContact CG-SD 4.44Å; F113-M135 HydrophobicContact CB-CE 4.02Å; F113-M135 HydrophobicContact CB-SD 4.25Å; F113-M135 HydrophobicContact CD2-CE 4.16Å; H131-M135 VanDerWaalsContact O-CG 3.3Å; H131-M135 WeakPolarHBondContact O-CG 3.48Å; H131-M135 PolarHBondContact O-N 3.09Å; Y132-M135 WeakPolarHBondContact O-CA 3.39Å; Y132-M135 WeakPolarHBondContact O-CB 3.47Å; Y132-M135 PolarHBondContact O-N 3.02Å
136V98.8Very high97.9Very high0 Ų030.8 Ų30.80%016%0.162CC..THydrogen-bonded Turntrans-99.221.7-178.9-580000113.1L46 M60 F113 Y132 T133 Q134 A138 P172 Y173L46-V136 HydrophobicContact CD2-CB 3.84Å; L46-V136 HydrophobicContact CD2-CG1 3.85Å; L46-V136 HydrophobicContact CD2-CG2 4.27Å; M60-V136 HydrophobicContact CE-CB 3.85Å; M60-V136 WeakPolarHBondContact CE-O 3.36Å; F113-V136 HydrophobicContact CD2-CG1 4.49Å; F113-V136 HydrophobicContact CE2-CG1 3.92Å; Y132-V136 HydrophobicContact CD1-CG2 4.25Å; Y132-V136 HydrophobicContact CD2-CG1 4.13Å; Y132-V136 HydrophobicContact CD2-CG2 4.21Å; Y132-V136 HydrophobicContact CE1-CG2 3.78Å; Y132-V136 HydrophobicContact CE2-CB 4.34Å; Y132-V136 HydrophobicContact CE2-CG1 3.62Å; Y132-V136 HydrophobicContact CE2-CG2 3.76Å; Y132-V136 HydrophobicContact CG-CG2 4.45Å; Y132-V136 WeakPolarHBondContact O-CG2 3.2Å; Y132-V136 PolarHBondContact O-N 3.43Å; T133-V136 CarbonylContact O-C 3.55Å; Q134-V136 VanDerWaalsContact C-N 3.25Å; Q134-V136 PolarHBondContact O-N 3.39Å; V136-A138 PolarHBondContact O-N 2.62Å; V136-A138 VanDerWaalsContact O-N 3.14Å; V136-P172 HydrophobicContact CG2-CB 4.04Å; V136-P172 HydrophobicContact CG2-CG 4.18Å; V136-Y173 HydrophobicContact CB-CD1 4.32Å; V136-Y173 HydrophobicContact CB-CE1 4.42Å; V136-Y173 HydrophobicContact CG2-CD1 4.04Å; V136-Y173 HydrophobicContact CG2-CE1 3.9Å
137W98.8Very high98.1Very high5 Ų530.3 Ų30.32%0.01916%0.158CC..  trans-71.9111.4175.1-156.9-98000110.3R43 T133 Q134 K139 T140 G165 W167 E170 P172R43-W137 PolarHBondContact NH1-O 2.85Å; R43-W137 PolarHBondContact NH2-O 2.84Å; T133-W137 PolarHBondContact O-N 3.35Å; T133-W137 VanDerWaalsContact O-N 3.1Å; Q134-W137 WeakPolarHBondContact O-CB 3.36Å; Q134-W137 PolarHBondContact O-N 2.93Å; W137-K139 VanDerWaalsContact C-N 3.28Å; W137-K139 PolarHBondContact O-N 3.32Å; W137-T140 WeakPolarHBondContact CB-OG1 3.41Å; W137-T140 WeakPolarHBondContact O-CB 3.27Å; W137-T140 PolarHBondContact O-N 3.09Å; W137-T140 VanDerWaalsContact O-N 3.14Å; W137-G165 VanDerWaalsContact CG-CA 3.42Å; W137-W167 HydrophobicContact CH2-CB 4.21Å; W137-W167 HydrophobicContact CZ2-CB 4.06Å; W137-W167 AromaticContact CZ2-CD1 3.65Å; W137-W167 HydrophobicContact CZ2-CG 4.25Å; W137-E170 HydrophobicContact CH2-CB 3.78Å; W137-E170 HydrophobicContact CZ2-CB 4.05Å; W137-P172 CarbonylContact C-O 3.59Å; W137-P172 WeakPolarHBondContact CA-O 3.28Å; W137-P172 HydrophobicContact CD2-CB 4.39Å; W137-P172 VanDerWaalsContact CE3-CA 3.45Å; W137-P172 HydrophobicContact CE3-CB 3.61Å; W137-P172 HydrophobicContact CZ3-CB 3.98Å
138A98.7Very high98.4Very high16 Ų1626.5 Ų26.513%0.13214%0.135CC..THydrogen-bonded Turntrans-60.3-38.6-171.900000112.3R43 M60 V136 T140 P172R43-A138 PolarHBondContact NH2-O 3.19Å; M60-A138 HydrophobicContact SD-CB 4.09Å; V136-A138 PolarHBondContact O-N 2.62Å; V136-A138 VanDerWaalsContact O-N 3.14Å; A138-T140 VanDerWaalsContact C-N 3.34Å; A138-T140 PolarHBondContact O-N 2.97Å; A138-P172 PolarHBondContact N-O 2.76Å
139K98.3Very high98.5Very high127 Ų12726 Ų2655%0.55214%0.137SC*.THydrogen-bonded Turntrans-71.9-21.8179.9-62.3175.2-177.11670113.5W137 T141 P163 E170W137-K139 VanDerWaalsContact C-N 3.28Å; W137-K139 PolarHBondContact O-N 3.32Å; K139-T141 PolarHBondContact O-N 3.47Å; K139-P163 HydrophobicContact CB-CG 4.47Å; K139-P163 VanDerWaalsContact O-CD 3.32Å; K139-P163 WeakPolarHBondContact O-CD 3.5Å; K139-P163 VanDerWaalsContact O-CG 3.32Å; K139-P163 WeakPolarHBondContact O-CG 3.5Å; K139-E170 IonicContact NZ-OE2 3.51Å; K139-E170 PolarHBondContact NZ-OE2 3.3Å
140T98.8Very high98.4Very high0 Ų026.2 Ų26.20%014%0.138CC..  trans-63.2128175.3-65.40000108.9R43 S61 L63 Q134 W137 A138 Y161 P163R43-T140 PolarHBondContact NH2-O 3.4Å; S61-T140 PolarHBondContact OG-O 2.99Å; L63-T140 HydrophobicContact CD2-CG2 3.83Å; L63-T140 WeakPolarHBondContact CD2-O 3.38Å; Q134-T140 PolarHBondContact NE2-OG1 2.82Å; W137-T140 WeakPolarHBondContact CB-OG1 3.41Å; W137-T140 WeakPolarHBondContact O-CB 3.27Å; W137-T140 PolarHBondContact O-N 3.09Å; W137-T140 VanDerWaalsContact O-N 3.14Å; A138-T140 VanDerWaalsContact C-N 3.34Å; A138-T140 PolarHBondContact O-N 2.97Å; T140-Y161 HydrophobicContact CG2-CD1 4.22Å; T140-P163 WeakPolarHBondContact CB-O 3.48Å; T140-P163 PolarHBondContact OG1-O 3.03Å
141T98.7Very high98.2Very high50 Ų5028 Ų2831%0.30716%0.159SC..  trans-116.6-25.9-178.150.80000113L63 K64 K139 G162L63-T141 CarbonylContact C-O 3.53Å; L63-T141 WeakPolarHBondContact CA-O 3.45Å; K64-T141 WeakPolarHBondContact CG-O 3.45Å; K64-T141 PolarHBondContact N-O 3.19Å; K139-T141 PolarHBondContact O-N 3.47Å; T141-G162 PolarHBondContact N-O 3.44Å; T141-G162 PolarHBondContact OG1-O 3.35Å
142D98.7Very high97.9Very high4 Ų432.2 Ų32.22%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-118.5140.9-174.5-73.7-123.2000110K64 N66 L69 K91 F92 G162K64-D142 WeakPolarHBondContact CE-OD1 3.23Å; K64-D142 WeakPolarHBondContact CE-OD2 3.28Å; K64-D142 HydrophobicContact CG-CB 4.46Å; K64-D142 IonicContact NZ-OD2 2.69Å; K64-D142 WeakPolarHBondContact O-CA 3.37Å; N66-D142 HydrophobicContact CB-CB 3.93Å; N66-D142 PolarHBondContact ND2-OD1 2.98Å; L69-D142 HydrophobicContact CD1-CB 4.24Å; K91-D142 IonicContact NZ-OD1 3.57Å; K91-D142 IonicContact NZ-OD2 3.73Å; K91-D142 PolarHBondContact NZ-OD2 3.3Å; F92-D142 HydrophobicContact CE2-CB 3.7Å; F92-D142 HydrophobicContact CZ-CB 3.68Å; F92-D142 VanDerWaalsContact CZ-CG 3.46Å; F92-D142 VanDerWaalsContact CZ-OD2 3.31Å; F92-D142 WeakPolarHBondContact CZ-OD2 3.28Å; D142-G162 PolarHBondContact N-O 3.35Å; D142-G162 PolarHBondContact O-N 2.86Å
143I98.8Very high97.5Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-135140171.9-171.6176.5000109.6L36 H39 L63 K64 W65 N66 C159 N160 Y161L36-I143 HydrophobicContact CD1-CG2 3.51Å; H39-I143 HydrophobicContact CB-CD1 4.29Å; L63-I143 HydrophobicContact CB-CG2 3.99Å; L63-I143 HydrophobicContact CD1-CB 4.3Å; L63-I143 HydrophobicContact CD1-CD1 4.34Å; L63-I143 HydrophobicContact CD1-CG2 4.11Å; K64-I143 PolarHBondContact O-N 3.48Å; W65-I143 CarbonylContact C-O 3.39Å; W65-I143 VanDerWaalsContact CA-O 3.3Å; W65-I143 WeakPolarHBondContact CA-O 3.49Å; W65-I143 HydrophobicContact CE3-CG2 4.38Å; N66-I143 PolarHBondContact N-O 3.46Å; I143-C159 HydrophobicContact CD1-CB 4.41Å; I143-N160 WeakPolarHBondContact CA-O 3.25Å; I143-Y161 HydrophobicContact CD1-CD1 4.11Å; I143-Y161 HydrophobicContact CD1-CE1 3.56Å; I143-Y161 HydrophobicContact CG1-CD1 4.09Å; I143-Y161 HydrophobicContact CG1-CE1 4Å
144G98.7Very high97.4Very high0 Ų039 Ų390%022%0.215CC..EExtended strand (participates in β ladder)trans-140.7132.2168.900000109.6N160G144-N160 PolarHBondContact N-O 3.12Å; G144-N160 PolarHBondContact O-N 3.48Å
145C98.8Very high97.4Very high3 Ų340.7 Ų40.72%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-129.7153.7-176.2-49.30000112.3L35 W65 V158 C159L35-C145 HydrophobicContact CB-CB 4.45Å; L35-C145 HydrophobicContact CD1-CB 3.55Å; L35-C145 HydrophobicContact CG-CB 4.46Å; W65-C145 HydrophobicContact CH2-CB 3.76Å; W65-C145 WeakPolarHBondContact CH2-O 3.35Å; W65-C145 WeakPolarHBondContact CZ2-O 3.43Å; W65-C145 HydrophobicContact CZ3-CB 4.26Å; C145-V158 CarbonylContact C-O 3.55Å; C145-V158 WeakPolarHBondContact CA-O 3.38Å; C145-V158 WeakPolarHBondContact CB-O 3.44Å; C145-C159 HydrophobicContact CB-CB 4.05Å; C145-C159 WeakPolarHBondContact CB-SG 3.48Å; C145-C159 VanDerWaalsContact SG-CA 3.56Å; C145-C159 WeakPolarHBondContact SG-CB 3.49Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 3.04Å
146G98.3Very high97.3Very high1 Ų140.6 Ų40.61%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-121.6150.1172.800000111.6Q74 V158Q74-G146 VanDerWaalsContact OE1-CA 3.22Å; G146-V158 PolarHBondContact N-O 3.45Å; G146-V158 PolarHBondContact O-N 2.85Å
147V98.6Very high97.3Very high21 Ų2140.6 Ų40.613%0.12722%0.224CC..EExtended strand (participates in β ladder)trans-136.3125.8177.3-175.30000108.8N31 L35 Q74 I105 L155 S156 I157N31-V147 HydrophobicContact CB-CG2 4.15Å; L35-V147 HydrophobicContact CD1-CG2 3.65Å; Q74-V147 PolarHBondContact NE2-O 3.28Å; Q74-V147 PolarHBondContact OE1-O 3.22Å; I105-V147 HydrophobicContact CD1-CG2 4.13Å; I105-V147 HydrophobicContact CG1-CG2 4.37Å; V147-L155 HydrophobicContact CG1-CB 4.31Å; V147-L155 HydrophobicContact CG1-CD1 4.28Å; V147-L155 HydrophobicContact CG1-CD2 4.29Å; V147-S156 CarbonylContact C-O 3.58Å; V147-S156 WeakPolarHBondContact CA-O 3.48Å; V147-I157 HydrophobicContact CG1-CG1 4.2Å; V147-I157 HydrophobicContact CG2-CG1 4.31Å; V147-I157 HydrophobicContact CG2-CG2 4.49Å
148A98.1Very high97.3Very high11 Ų1140.4 Ų40.49%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-123.5148.817300000110A77 L155 S156A77-A148 HydrophobicContact CB-CB 4.07Å; A77-A148 VanDerWaalsContact O-CB 3.31Å; A77-A148 WeakPolarHBondContact O-CB 3.06Å; A148-L155 CarbonylContact O-C 3.6Å; A148-L155 WeakPolarHBondContact O-CA 3.42Å; A148-S156 PolarHBondContact N-O 3.17Å; A148-S156 PolarHBondContact O-N 3.4Å
149N97.9Very high97.3Very high133 Ų13339.7 Ų39.771%0.71122%0.217SC*.EExtended strand (participates in β ladder)trans-90.6127170.2-169.23.1000108.7G154N149-G154 PolarHBondContact OD1-O 3.42Å
150C96.7Very high97.3Very high5 Ų533.7 Ų33.73%0.03419%0.191CC..EExtended strand (participates in β ladder)trans-120.2118.1-176.1-58.60000108.5C80 M152 Y153 G154 S156C80-C150 VanDerWaalsContact CA-SG 3.51Å; C80-C150 HydrophobicContact CB-CB 3.68Å; C80-C150 WeakPolarHBondContact CB-SG 3.46Å; C80-C150 VanDerWaalsContact SG-CA 3.53Å; C80-C150 WeakPolarHBondContact SG-CB 3.33Å; C80-C150 CovalentContact SG-SG 2.03Å; C80-C150 PolarHBondContact SG-SG 2.8Å; C150-M152 PolarHBondContact O-N 3.39Å; C150-Y153 HydrophobicContact CB-CD2 4.46Å; C150-Y153 PolarHBondContact O-N 3.46Å; C150-G154 WeakPolarHBondContact CA-O 3.41Å; C150-G154 WeakPolarHBondContact CB-O 3.4Å; C150-G154 PolarHBondContact N-O 3.47Å; C150-G154 PolarHBondContact O-N 3.03Å; C150-S156 WeakPolarHBondContact SG-CB 3.12Å
151S93.2Very high97.3Very high139 Ų13933.7 Ų33.797%0.97219%0.191SC*.THydrogen-bonded Turntrans-51.4-34.1-169.8-49.70000114.6
152M90.8Very high97.3Very high150 Ų15031.3 Ų31.374%0.73918%0.177SC*.THydrogen-bonded Turntrans-94.1-25.2-177.5-170.4177.9-68.700114.2C150C150-M152 PolarHBondContact O-N 3.39Å
153Y91Very high97.3Very high120 Ų12033 Ų3347%0.47119%0.188SC..THydrogen-bonded Turntrans-119.71.3-164.4-54.5-61.7000114.2F101 C150F101-Y153 HydrophobicContact CD1-CG 4.3Å; F101-Y153 HydrophobicContact CD2-CD1 4.26Å; F101-Y153 HydrophobicContact CD2-CD2 4.44Å; F101-Y153 AromaticContact CD2-CG 3.98Å; F101-Y153 HydrophobicContact CD2-CG 3.98Å; F101-Y153 HydrophobicContact CE1-CD2 4.1Å; F101-Y153 HydrophobicContact CE1-CG 4.29Å; F101-Y153 HydrophobicContact CE2-CD1 4.35Å; F101-Y153 AromaticContact CE2-CD2 3.95Å; F101-Y153 HydrophobicContact CE2-CD2 3.95Å; F101-Y153 HydrophobicContact CE2-CE2 4.37Å; F101-Y153 AromaticContact CE2-CG 3.94Å; F101-Y153 HydrophobicContact CE2-CG 3.94Å; F101-Y153 HydrophobicContact CG-CG 4.16Å; F101-Y153 AromaticContact CZ-CD2 3.79Å; F101-Y153 HydrophobicContact CZ-CD2 3.79Å; F101-Y153 HydrophobicContact CZ-CE2 4.35Å; F101-Y153 HydrophobicContact CZ-CG 4.13Å; C150-Y153 HydrophobicContact CB-CD2 4.46Å; C150-Y153 PolarHBondContact O-N 3.46Å
154G96.3Very high97.3Very high28 Ų2833 Ų3329%0.28919%0.188SC..EExtended strand (participates in β ladder)trans74.2-129.2-17100000110.8N149 C150N149-G154 PolarHBondContact OD1-O 3.42Å; C150-G154 WeakPolarHBondContact CA-O 3.41Å; C150-G154 WeakPolarHBondContact CB-O 3.4Å; C150-G154 PolarHBondContact N-O 3.47Å; C150-G154 PolarHBondContact O-N 3.03Å
155L98.3Very high97.2Very high39 Ų3933.3 Ų33.320%0.20419%0.191CC..EExtended strand (participates in β ladder)trans-87128.2-179.7-54.8-178.8000111.2F101 A102 I105 V147 A148 I157F101-L155 CarbonylContact C-O 3.56Å; F101-L155 VanDerWaalsContact CA-O 3.27Å; F101-L155 WeakPolarHBondContact CA-O 3.49Å; A102-L155 PolarHBondContact N-O 2.94Å; A102-L155 WeakPolarHBondContact O-CA 3.47Å; A102-L155 VanDerWaalsContact O-CB 3.32Å; A102-L155 WeakPolarHBondContact O-CB 3.48Å; A102-L155 PolarHBondContact O-N 2.89Å; I105-L155 HydrophobicContact CG1-CD1 4.2Å; V147-L155 HydrophobicContact CG1-CB 4.31Å; V147-L155 HydrophobicContact CG1-CD1 4.28Å; V147-L155 HydrophobicContact CG1-CD2 4.29Å; A148-L155 CarbonylContact O-C 3.6Å; A148-L155 WeakPolarHBondContact O-CA 3.42Å; L155-I157 HydrophobicContact CB-CD1 4.09Å; L155-I157 HydrophobicContact CB-CG1 4Å; L155-I157 HydrophobicContact CD1-CD1 4.44Å
156S98Very high97.2Very high1 Ų135.8 Ų35.81%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-84.5122.3157.5-176.40000109.2A77 V147 A148 C150A77-S156 WeakPolarHBondContact O-CB 3.06Å; A77-S156 PolarHBondContact O-OG 3.15Å; V147-S156 CarbonylContact C-O 3.58Å; V147-S156 WeakPolarHBondContact CA-O 3.48Å; A148-S156 PolarHBondContact N-O 3.17Å; A148-S156 PolarHBondContact O-N 3.4Å; C150-S156 WeakPolarHBondContact SG-CB 3.12Å
157I98.6Very high97Very high0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-124.2124.7-178.4-58.9162.9000108.1L35 M99 A100 A102 I105 A108 W112 V147 L155L35-I157 HydrophobicContact CD1-CG2 4.4Å; L35-I157 HydrophobicContact CD2-CG2 3.98Å; M99-I157 VanDerWaalsContact CA-O 3.32Å; M99-I157 WeakPolarHBondContact CA-O 2.82Å; A100-I157 PolarHBondContact N-O 3.29Å; A100-I157 PolarHBondContact O-N 3.05Å; A102-I157 HydrophobicContact CB-CD1 4.48Å; I105-I157 HydrophobicContact CB-CD1 4.45Å; I105-I157 HydrophobicContact CG1-CD1 4.04Å; A108-I157 HydrophobicContact CB-CD1 3.5Å; A108-I157 VanDerWaalsContact CB-CD1 3.5Å; W112-I157 HydrophobicContact CH2-CG2 3.87Å; V147-I157 HydrophobicContact CG1-CG1 4.2Å; V147-I157 HydrophobicContact CG2-CG1 4.31Å; V147-I157 HydrophobicContact CG2-CG2 4.49Å; L155-I157 HydrophobicContact CB-CD1 4.09Å; L155-I157 HydrophobicContact CB-CG1 4Å; L155-I157 HydrophobicContact CD1-CD1 4.44Å
158V98.5Very high96.8Very high1 Ų147.7 Ų47.71%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-125.2132.2177.2-178.60000108.2A73 L76 A77 Q97 N98 M99 C145 G146A73-V158 HydrophobicContact CB-CB 4.1Å; A73-V158 HydrophobicContact CB-CG1 3.87Å; L76-V158 HydrophobicContact CB-CG1 4.47Å; L76-V158 HydrophobicContact CB-CG2 4.32Å; L76-V158 HydrophobicContact CD2-CG1 4.09Å; L76-V158 HydrophobicContact CD2-CG2 4.38Å; L76-V158 HydrophobicContact CG-CG2 4.19Å; A77-V158 HydrophobicContact CB-CB 4.42Å; A77-V158 HydrophobicContact CB-CG2 3.88Å; Q97-V158 HydrophobicContact CG-CG1 4.1Å; N98-V158 WeakPolarHBondContact O-CA 3.31Å; M99-V158 HydrophobicContact CG-CB 4.44Å; M99-V158 HydrophobicContact CG-CG1 4.1Å; M99-V158 HydrophobicContact CG-CG2 4.01Å; C145-V158 CarbonylContact C-O 3.55Å; C145-V158 WeakPolarHBondContact CA-O 3.38Å; C145-V158 WeakPolarHBondContact CB-O 3.44Å; G146-V158 PolarHBondContact N-O 3.45Å; G146-V158 PolarHBondContact O-N 2.85Å
159C98.8Very high96.5Very high0 Ų054.4 Ų54.40%029%0.29CS..EExtended strand (participates in β ladder)trans-125.8130.9171.7-76.20000110.1Q97 N98 W112 I143 C145 Y161Q97-C159 CarbonylContact C-O 3.54Å; Q97-C159 VanDerWaalsContact CA-O 3.29Å; Q97-C159 WeakPolarHBondContact CA-O 3.32Å; N98-C159 PolarHBondContact N-O 3.11Å; N98-C159 PolarHBondContact O-N 2.91Å; W112-C159 HydrophobicContact CH2-CB 4.43Å; W112-C159 HydrophobicContact CZ3-CB 4.36Å; I143-C159 HydrophobicContact CD1-CB 4.41Å; C145-C159 HydrophobicContact CB-CB 4.05Å; C145-C159 WeakPolarHBondContact CB-SG 3.48Å; C145-C159 VanDerWaalsContact SG-CA 3.56Å; C145-C159 WeakPolarHBondContact SG-CB 3.49Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 3.04Å; C159-Y161 HydrophobicContact CB-CE1 4.5Å; C159-Y161 HydrophobicContact CB-CE2 3.81Å; C159-Y161 WeakPolarHBondContact CB-OH 3.38Å; C159-Y161 WeakPolarHBondContact O-CE2 3.39Å
160N98.8Very high96.5Very high1 Ų151.4 Ų51.41%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-106.7140.4174.9-69-26.8000110.1L69 A73 P87 V95 G96 Q97 I143 G144L69-N160 HydrophobicContact CB-CB 4.07Å; L69-N160 HydrophobicContact CD2-CB 4.3Å; L69-N160 PolarHBondContact O-ND2 2.8Å; A73-N160 PolarHBondContact N-ND2 2.76Å; P87-N160 HydrophobicContact CB-CB 4.4Å; V95-N160 HydrophobicContact CG1-CB 3.84Å; G96-N160 CarbonylContact O-C 3.55Å; G96-N160 VanDerWaalsContact O-CA 3.24Å; G96-N160 WeakPolarHBondContact O-CA 3.48Å; Q97-N160 PolarHBondContact NE2-OD1 3.41Å; I143-N160 WeakPolarHBondContact CA-O 3.25Å; G144-N160 PolarHBondContact N-O 3.12Å; G144-N160 PolarHBondContact O-N 3.48Å
161Y98.8Very high96.6Very high1 Ų155.4 Ų55.40%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-125.7128-170.1-57.6-91000111.3H39 V95 G96 N98 Q134 T140 I143 C159 P163 G164H39-Y161 AromaticContact CD2-CE1 3.75Å; H39-Y161 AromaticContact NE2-CE1 3.68Å; H39-Y161 AromaticContact NE2-CZ 3.66Å; H39-Y161 PolarHBondContact NE2-OH 3.34Å; V95-Y161 CarbonylContact C-O 3.58Å; V95-Y161 VanDerWaalsContact CA-O 3.31Å; V95-Y161 WeakPolarHBondContact CA-O 3.49Å; V95-Y161 WeakPolarHBondContact CG1-O 3.48Å; G96-Y161 PolarHBondContact N-O 3.25Å; G96-Y161 PolarHBondContact O-N 3.21Å; N98-Y161 HydrophobicContact CB-CE2 3.81Å; N98-Y161 PolarHBondContact ND2-OH 3Å; Q134-Y161 HydrophobicContact CG-CD1 4.32Å; Q134-Y161 HydrophobicContact CG-CD2 3.39Å; Q134-Y161 HydrophobicContact CG-CE2 3.72Å; Q134-Y161 HydrophobicContact CG-CG 3.73Å; T140-Y161 HydrophobicContact CG2-CD1 4.22Å; I143-Y161 HydrophobicContact CD1-CD1 4.11Å; I143-Y161 HydrophobicContact CD1-CE1 3.56Å; I143-Y161 HydrophobicContact CG1-CD1 4.09Å; I143-Y161 HydrophobicContact CG1-CE1 4Å; C159-Y161 HydrophobicContact CB-CE1 4.5Å; C159-Y161 HydrophobicContact CB-CE2 3.81Å; C159-Y161 WeakPolarHBondContact CB-OH 3.38Å; C159-Y161 WeakPolarHBondContact O-CE2 3.39Å; Y161-P163 CarbonylContact O-C 3.48Å; Y161-G164 PolarHBondContact O-N 3.33Å
162G98.6Very high96.8Very high0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans-127.8124.4-175.900000113.6F92 T141 D142F92-G162 VanDerWaalsContact CD2-CA 3.45Å; F92-G162 WeakPolarHBondContact CZ-O 3.41Å; T141-G162 PolarHBondContact N-O 3.44Å; T141-G162 PolarHBondContact OG1-O 3.35Å; D142-G162 PolarHBondContact N-O 3.35Å; D142-G162 PolarHBondContact O-N 2.86Å
163P98.4Very high97.2Very high39 Ų3942.2 Ų42.225%0.25321%0.21SC..SBendcis-60.4154.4-15.428.7-37.2000111.9F92 K139 T140 Y161F92-P163 HydrophobicContact CD1-CB 4.14Å; K139-P163 HydrophobicContact CB-CG 4.47Å; K139-P163 VanDerWaalsContact O-CD 3.32Å; K139-P163 WeakPolarHBondContact O-CD 3.5Å; K139-P163 VanDerWaalsContact O-CG 3.32Å; K139-P163 WeakPolarHBondContact O-CG 3.5Å; T140-P163 WeakPolarHBondContact CB-O 3.48Å; T140-P163 PolarHBondContact OG1-O 3.03Å; Y161-P163 CarbonylContact O-C 3.48Å
164G98Very high97.6Very high0 Ų042.5 Ų42.50%022%0.215CC..  trans-64.7145.9171.500000111.8L94 Y161 W167L94-G164 PolarHBondContact O-N 3.18Å; Y161-G164 PolarHBondContact O-N 3.33Å; G164-W167 PolarHBondContact O-NE1 3.08Å; G164-W167 VanDerWaalsContact O-NE1 3.13Å
165G97.6Very high97.7Very high6 Ų644.2 Ų44.26%0.06222%0.22CC..  trans-97.6-155.617600000112.5W137 W167W137-G165 VanDerWaalsContact CG-CA 3.42Å; G165-W167 VanDerWaalsContact C-N 3.3Å; G165-W167 PolarHBondContact O-N 3.38Å
166N97.1Very high97.6Very high56 Ų5643.4 Ų43.430%0.29922%0.215SC..  trans59.637.7177.9-57.4-21.5000113.3L130 T133 Q134L130-N166 HydrophobicContact CD2-CB 4.4Å; L130-N166 PolarHBondContact O-ND2 3.23Å; T133-N166 WeakPolarHBondContact CB-OD1 3.41Å; T133-N166 PolarHBondContact OG1-OD1 3.33Å; Q134-N166 PolarHBondContact N-OD1 3.42Å
167W95.7Very high97.6Very high123 Ų12347.2 Ų47.247%0.46624%0.24SC..  trans-66.1138.8170.5-70.583.7000110.2L94 W137 G164 G165 N169 E170L94-W167 HydrophobicContact CB-CZ2 4.16Å; L94-W167 HydrophobicContact CD2-CZ2 3.88Å; W137-W167 HydrophobicContact CH2-CB 4.21Å; W137-W167 HydrophobicContact CZ2-CB 4.06Å; W137-W167 AromaticContact CZ2-CD1 3.65Å; W137-W167 HydrophobicContact CZ2-CG 4.25Å; G164-W167 PolarHBondContact O-NE1 3.08Å; G164-W167 VanDerWaalsContact O-NE1 3.13Å; G165-W167 VanDerWaalsContact C-N 3.3Å; G165-W167 PolarHBondContact O-N 3.38Å; W167-N169 PolarHBondContact O-N 3.06Å; W167-E170 HydrophobicContact CB-CB 3.99Å; W167-E170 HydrophobicContact CB-CG 4.04Å; W167-E170 PolarHBondContact O-N 2.79Å; W167-E170 VanDerWaalsContact O-N 3.15Å
168I93.1Very high97.4Very high148 Ų14853.4 Ų53.476%0.75927%0.268SS*.THydrogen-bonded Turntrans-56.2132.7-179.6-62.7171.1000109.1E170I168-E170 PolarHBondContact O-N 3.01Å
169N93.4Very high97.2Very high152 Ų15259.9 Ų59.981%0.81330%0.303SS*.THydrogen-bonded Turntrans61.18.5179-57.8-30.5000116W167W167-N169 PolarHBondContact O-N 3.06Å
170E97.2Very high97Very high71 Ų7164.9 Ų64.933%0.33233%0.329SS..  trans-96.5143.2171.4-73.9-169.4-132.700111N124 W137 K139 W167 I168N124-E170 PolarHBondContact ND2-O 3Å; N124-E170 VanDerWaalsContact ND2-O 3.1Å; W137-E170 HydrophobicContact CH2-CB 3.78Å; W137-E170 HydrophobicContact CZ2-CB 4.05Å; K139-E170 IonicContact NZ-OE2 3.51Å; K139-E170 PolarHBondContact NZ-OE2 3.3Å; W167-E170 HydrophobicContact CB-CB 3.99Å; W167-E170 HydrophobicContact CB-CG 4.04Å; W167-E170 PolarHBondContact O-N 2.79Å; W167-E170 VanDerWaalsContact O-N 3.15Å; I168-E170 PolarHBondContact O-N 3.01Å
171K98.3Very high96.8Very high89 Ų8966.1 Ų66.139%0.38734%0.338SS..  trans-85.4150.1168.8-65.8-167.2173.483.60109.7F121 N124 Y173F121-K171 HydrophobicContact CD1-CD 3.91Å; F121-K171 HydrophobicContact CE1-CD 3.37Å; F121-K171 HydrophobicContact CE2-CB 4.46Å; F121-K171 HydrophobicContact CE2-CD 4.24Å; F121-K171 HydrophobicContact CZ-CB 4.2Å; F121-K171 HydrophobicContact CZ-CD 3.53Å; F121-K171 HydrophobicContact CZ-CG 4.46Å; F121-K171 WeakPolarHBondContact O-CE 3.35Å; N124-K171 HydrophobicContact CB-CG 4.17Å; K171-Y173 PolarHBondContact O-N 2.78Å
172P98.5Very high96.5Very high3 Ų369.7 Ų69.72%0.01936%0.361CS..SBendtrans-66.7-22.4-175.825.3-34.1000114.3Y119 T133 V136 W137 A138Y119-P172 HydrophobicContact CE1-CG 4.09Å; Y119-P172 VanDerWaalsContact OH-CD 3.28Å; Y119-P172 WeakPolarHBondContact OH-CD 3.3Å; T133-P172 HydrophobicContact CG2-CG 4.29Å; V136-P172 HydrophobicContact CG2-CB 4.04Å; V136-P172 HydrophobicContact CG2-CG 4.18Å; W137-P172 CarbonylContact C-O 3.59Å; W137-P172 WeakPolarHBondContact CA-O 3.28Å; W137-P172 HydrophobicContact CD2-CB 4.39Å; W137-P172 VanDerWaalsContact CE3-CA 3.45Å; W137-P172 HydrophobicContact CE3-CB 3.61Å; W137-P172 HydrophobicContact CZ3-CB 3.98Å; A138-P172 PolarHBondContact N-O 2.76Å
173Y98.7Very high95.8Very high9 Ų976.9 Ų76.94%0.03540%0.398CS..SBendtrans-158.1161.9-17954.8-92.6000112.1L46 P55 A57 M60 F121 V136 K171 V175L46-Y173 HydrophobicContact CD2-CD1 3.72Å; L46-Y173 HydrophobicContact CD2-CE1 3.24Å; L46-Y173 HydrophobicContact CD2-CE2 4.11Å; L46-Y173 HydrophobicContact CD2-CG 4.35Å; L46-Y173 VanDerWaalsContact CD2-CZ 3.43Å; L46-Y173 HydrophobicContact CG-CE1 4.34Å; P55-Y173 VanDerWaalsContact O-CE2 3.31Å; P55-Y173 WeakPolarHBondContact O-CE2 3.24Å; P55-Y173 PolarHBondContact O-OH 2.79Å; A57-Y173 HydrophobicContact CB-CD2 3.61Å; A57-Y173 HydrophobicContact CB-CE2 4.06Å; A57-Y173 HydrophobicContact CB-CG 3.97Å; M60-Y173 HydrophobicContact CE-CD1 3.53Å; M60-Y173 HydrophobicContact CE-CE1 4.35Å; M60-Y173 HydrophobicContact CE-CG 3.63Å; F121-Y173 HydrophobicContact CD2-CE1 4.22Å; F121-Y173 HydrophobicContact CD2-CE2 4.02Å; F121-Y173 AromaticContact CD2-CZ 3.67Å; F121-Y173 HydrophobicContact CE2-CD1 4.29Å; F121-Y173 AromaticContact CE2-CD2 3.82Å; F121-Y173 HydrophobicContact CE2-CD2 3.82Å; F121-Y173 AromaticContact CE2-CE1 3.84Å; F121-Y173 HydrophobicContact CE2-CE1 3.84Å; F121-Y173 AromaticContact CE2-CE2 3.36Å; F121-Y173 HydrophobicContact CE2-CE2 3.36Å; F121-Y173 HydrophobicContact CE2-CG 4.28Å; F121-Y173 AromaticContact CE2-CZ 3.37Å; F121-Y173 HydrophobicContact CZ-CD2 4.2Å; F121-Y173 AromaticContact CZ-CE2 3.97Å; F121-Y173 HydrophobicContact CZ-CE2 3.97Å; F121-Y173 WeakPolarHBondContact CZ-O 3Å; V136-Y173 HydrophobicContact CB-CD1 4.32Å; V136-Y173 HydrophobicContact CB-CE1 4.42Å; V136-Y173 HydrophobicContact CG2-CD1 4.04Å; V136-Y173 HydrophobicContact CG2-CE1 3.9Å; K171-Y173 PolarHBondContact O-N 2.78Å; Y173-V175 HydrophobicContact CE2-CG2 4.41Å
174E98.4Very high94.6Very high125 Ų12580.6 Ų80.658%0.58442%0.42SS*.  trans-81.5145.3168.4-71.2178.5-161.800111A57 K58A57-E174 WeakPolarHBondContact CA-O 2.86Å; K58-E174 HydrophobicContact CB-CB 4.17Å; K58-E174 WeakPolarHBondContact CB-O 2.93Å; K58-E174 HydrophobicContact CD-CB 4.21Å; K58-E174 WeakPolarHBondContact CD-OE2 3.04Å; K58-E174 PolarHBondContact N-O 3.36Å; K58-E174 IonicContact NZ-OE2 3.97Å; K58-E174 PolarHBondContact NZ-OE2 3.38Å
175V98.4Very high92.9Very high65 Ų6587.7 Ų87.739%0.39445%0.453SS..BIsolated β-bridgetrans-90.6144.6-179.7175.80000111P55 P56 F121 Y173P55-V175 HydrophobicContact CB-CB 4.41Å; P55-V175 HydrophobicContact CB-CG1 3.73Å; P55-V175 HydrophobicContact CB-CG2 3.74Å; P55-V175 HydrophobicContact CG-CG2 3.67Å; P56-V175 WeakPolarHBondContact O-CA 3.41Å; F121-V175 HydrophobicContact CD1-CG2 4.18Å; F121-V175 HydrophobicContact CE1-CG2 3.29Å; F121-V175 HydrophobicContact CE2-CG2 4.25Å; F121-V175 HydrophobicContact CZ-CG2 3.36Å; Y173-V175 HydrophobicContact CE2-CG2 4.41Å
176K97.7Very high90.7Very high22 Ų2294.8 Ų94.810%0.09649%0.489CS..  trans-108.5157163.663.4176.7-177.1174.80111.6V47 P56 A57 K58 L180V47-K176 WeakPolarHBondContact O-CE 3.49Å; V47-K176 PolarHBondContact O-NZ 3.05Å; P56-K176 HydrophobicContact CB-CG 4.2Å; P56-K176 HydrophobicContact CG-CG 4.05Å; P56-K176 WeakPolarHBondContact CG-O 3.13Å; P56-K176 PolarHBondContact O-N 3.05Å; A57-K176 WeakPolarHBondContact O-CE 3.27Å; K58-K176 HydrophobicContact CB-CB 4.04Å; K58-K176 HydrophobicContact CG-CB 4.45Å; K176-L180 HydrophobicContact CB-CD1 4.44Å; K176-L180 HydrophobicContact CD-CB 4.02Å; K176-L180 PolarHBondContact NZ-O 3.44Å
177P97Very high88.5Confident81 Ų8197 Ų9753%0.52650%0.5SS..  trans-58.2145.5167.1-28.938.8000113.2N179 L180P177-N179 VanDerWaalsContact C-N 3.28Å; P177-N179 WeakPolarHBondContact CB-OD1 3.3Å; P177-N179 PolarHBondContact O-N 2.84Å; P177-L180 WeakPolarHBondContact O-CB 3.47Å; P177-L180 PolarHBondContact O-N 3.39Å; P177-L180 VanDerWaalsContact O-N 3.11Å
178H94.2Very high86.5Confident129 Ų12994 Ų9460%0.59750%0.498SS*.G310 helixtrans-65.7-23.8-179.7-85.6-85.8000114.3P56 L180 C181P56-H178 WeakPolarHBondContact CD-NE2 3.31Å; H178-L180 PolarHBondContact O-N 3.17Å; H178-C181 VanDerWaalsContact O-CB 3.3Å; H178-C181 WeakPolarHBondContact O-CB 3.08Å; H178-C181 PolarHBondContact O-N 2.81Å; H178-C181 VanDerWaalsContact O-N 3.14Å; H178-C181 PolarHBondContact O-SG 3.4Å
179N94.3Very high84.7Confident137 Ų13796 Ų9673%0.73350%0.501SS*.G310 helixtrans-68.1-11.117466.3-25.7000113.1P177 C181P177-N179 VanDerWaalsContact C-N 3.28Å; P177-N179 WeakPolarHBondContact CB-OD1 3.3Å; P177-N179 PolarHBondContact O-N 2.84Å; N179-C181 VanDerWaalsContact C-N 3.35Å
180L95.2Very high82.9Confident105 Ų10595.7 Ų95.755%0.5550%0.499SS..G310 helixtrans-9413.4173.5-57.2-176.2000113K176 P177 H178K176-L180 HydrophobicContact CB-CD1 4.44Å; K176-L180 HydrophobicContact CD-CB 4.02Å; K176-L180 PolarHBondContact NZ-O 3.44Å; P177-L180 WeakPolarHBondContact O-CB 3.47Å; P177-L180 PolarHBondContact O-N 3.39Å; P177-L180 VanDerWaalsContact O-N 3.11Å; H178-L180 PolarHBondContact O-N 3.17Å
181C95.4Very high80.8Confident28 Ų2895.7 Ų95.719%0.18951%0.507CS..SBendtrans-74.3143.8171.4-590000110.4C49 H178 N179 I183C49-C181 HydrophobicContact CB-CB 3.77Å; C49-C181 WeakPolarHBondContact CB-SG 3.48Å; C49-C181 WeakPolarHBondContact SG-CB 3.31Å; C49-C181 CovalentContact SG-SG 1.99Å; C49-C181 PolarHBondContact SG-SG 2.84Å; H178-C181 VanDerWaalsContact O-CB 3.3Å; H178-C181 WeakPolarHBondContact O-CB 3.08Å; H178-C181 PolarHBondContact O-N 2.81Å; H178-C181 VanDerWaalsContact O-N 3.14Å; H178-C181 PolarHBondContact O-SG 3.4Å; N179-C181 VanDerWaalsContact C-N 3.35Å; C181-I183 PolarHBondContact O-N 3.38Å
182P91.8Very high78.6Confident75 Ų7599.1 Ų99.149%0.48752%0.522SS..PPolyproline II helixtrans-57.2126.9173.2-2232.9000110.7D48 V184D48-P182 HydrophobicContact CB-CG 4.41Å; P182-V184 PolarHBondContact O-N 1.99Å
183I84.2Confident75.9Confident151 Ų151104.4 Ų104.477%0.77456%0.557SS**PPolyproline II helixtrans-71.4121172.5-57.6173.8000106.9C181 Q185C181-I183 PolarHBondContact O-N 3.38Å; I183-Q185 PolarHBondContact O-N 2.74Å
184V71.8Confident73.2Confident118 Ų118109.2 Ų109.272%0.71559%0.588SS**  trans-68.392.7164.6-177.40000105.9P182 N186P182-V184 PolarHBondContact O-N 1.99Å; V184-N186 PolarHBondContact O-N 3.32Å
185Q63Low70.3Confident148 Ų148110.7 Ų110.769%0.69260%0.599SS**  trans-62.3111164.8-69.1-175.8-3500105.5I183 I187I183-Q185 PolarHBondContact O-N 2.74Å; Q185-I187 HydrophobicContact CB-CD1 4.48Å; Q185-I187 HydrophobicContact CB-CG1 3.9Å; Q185-I187 PolarHBondContact O-N 3.11Å
186N52.4Low67.5Low155 Ų155118.3 Ų118.383%0.82962%0.621SS**  trans-64.173.3162.7-80.2-25.9000107.2V184 S188V184-N186 PolarHBondContact O-N 3.32Å; N186-S188 VanDerWaalsContact C-N 3.29Å; N186-S188 PolarHBondContact O-N 2.86Å
187I50.6Low64.6Low102 Ų102120.4 Ų120.452%0.52364%0.642SS.*  trans-68.3101.6165.4-61.3-176.9000103.9Q185 K189 S191Q185-I187 HydrophobicContact CB-CD1 4.48Å; Q185-I187 HydrophobicContact CB-CG1 3.9Å; Q185-I187 PolarHBondContact O-N 3.11Å; I187-K189 PolarHBondContact O-N 3.32Å; I187-S191 WeakPolarHBondContact CG2-OG 2.93Å
188S53.1Low61.6Low60 Ų60125 Ų12542%0.4266%0.657SS.*  trans-45.1134.6171.1166.50000108.1N186 D190 S191N186-S188 VanDerWaalsContact C-N 3.29Å; N186-S188 PolarHBondContact O-N 2.86Å; S188-D190 PolarHBondContact O-N 3.14Å; S188-D190 VanDerWaalsContact OG-CB 3.29Å; S188-D190 WeakPolarHBondContact OG-CB 3.29Å; S188-D190 PolarHBondContact OG-N 3.19Å; S188-D190 PolarHBondContact OG-OD2 3.25Å; S188-D190 VanDerWaalsContact OG-OD2 3.06Å; S188-S191 PolarHBondContact O-N 3.01Å; S188-S191 PolarHBondContact O-OG 2.93Å
189K54.6Low58.7Low191 Ų191125.3 Ų125.383%0.8367%0.667SS**G310 helixtrans-54.8-13.9172.4-74.3179.6176.7174.30112.5I187 S191I187-K189 PolarHBondContact O-N 3.32Å; K189-S191 VanDerWaalsContact C-N 3.35Å
190D57.2Low55.8Low145 Ų145130.7 Ų130.778%0.77568%0.678SS**G310 helixtrans-78.4-11.5176.8-54.7-35.5000114.1S188 F192S188-D190 PolarHBondContact O-N 3.14Å; S188-D190 VanDerWaalsContact OG-CB 3.29Å; S188-D190 WeakPolarHBondContact OG-CB 3.29Å; S188-D190 PolarHBondContact OG-N 3.19Å; S188-D190 PolarHBondContact OG-OD2 3.25Å; S188-D190 VanDerWaalsContact OG-OD2 3.06Å; D190-F192 VanDerWaalsContact C-N 3.26Å; D190-F192 PolarHBondContact O-N 2.87Å
191S53.1Low52.9Low71 Ų71136.7 Ų136.750%0.49769%0.693SS.*G310 helixtrans-84.66.1178.982.30000113.9I187 S188 K189 P193I187-S191 WeakPolarHBondContact CG2-OG 2.93Å; S188-S191 PolarHBondContact O-N 3.01Å; S188-S191 PolarHBondContact O-OG 2.93Å; K189-S191 VanDerWaalsContact C-N 3.35Å; S191-P193 VanDerWaalsContact O-CD 3.31Å; S191-P193 WeakPolarHBondContact O-CD 3.31Å
192F50.3Low49.8Very low161 Ų161139 Ų13971%0.70672%0.722SS**SBendtrans-86.9109165.1-76.6-82.5000108D190 T194D190-F192 VanDerWaalsContact C-N 3.26Å; D190-F192 PolarHBondContact O-N 2.87Å; F192-T194 PolarHBondContact O-N 2.72Å
193P41.8Very low47Very low114 Ų114145.3 Ų145.374%0.7474%0.744SS**  trans-61.2114.1173.3-14.428.8000107.2S191 N195S191-P193 VanDerWaalsContact O-CD 3.31Å; S191-P193 WeakPolarHBondContact O-CD 3.31Å; P193-N195 VanDerWaalsContact C-N 3.31Å; P193-N195 PolarHBondContact O-N 3.23Å
194T42.1Very low44.5Very low111 Ų111146.6 Ų146.668%0.68175%0.745SS**  trans-64.9100.9167570000106.2F192 R196F192-T194 PolarHBondContact O-N 2.72Å; T194-R196 PolarHBondContact O-N 2.89Å
195N37.8Very low42.6Very low156 Ų156144.9 Ų144.983%0.83474%0.738SS**  trans-66.174.8161.1-91.1-27.2000107.7P193 A197P193-N195 VanDerWaalsContact C-N 3.31Å; P193-N195 PolarHBondContact O-N 3.23Å; N195-A197 PolarHBondContact O-N 3.06Å
196R41.2Very low41.3Very low224 Ų224145.5 Ų145.585%0.84575%0.745SS**  trans-88.156.2169.4-165.3-175.8-73.1179.3-1.4107.6T194T194-R196 PolarHBondContact O-N 2.89Å
197A35.7Very low40.5Very low66 Ų66147.2 Ų147.255%0.54575%0.745SS.*SBendtrans-154.6124.6167.200000108.4N195N195-A197 PolarHBondContact O-N 3.06Å
198H34.9Very low39.9Very low179 Ų179149.8 Ų149.883%0.82976%0.755SS**SBendtrans76.172.8173-54.9-65.8000119.1
199T31.9Very low38.9Very low134 Ų134153.9 Ų153.982%0.82277%0.77SS**  -163.672.5114.40.70000111.7R201T199-R201 PolarHBondContact O-N 3.34Å
200R34.9Very low37.8Very low251 Ų251153.8 Ų153.895%0.94777%0.773SS**  trans-75.573.6152.8-71.4-166.8-142.8-173.26.2108.7
201R32.5Very low36.6Very low230 Ų230156.1 Ų156.187%0.86878%0.776SS**SBendtrans-179.4117.6158.3-120.5175.4-91.6-171.4-6.3108.4T199T199-R201 PolarHBondContact O-N 3.34Å
202G30.5Very low35.6Very low77 Ų77162.2 Ų162.279%0.79479%0.794SS**  trans123.622.4157.900000118.5K204G202-K204 VanDerWaalsContact C-N 3.3Å; G202-K204 PolarHBondContact O-N 2.97Å
203Q33.2Very low34.8Very low207 Ų207158.4 Ų158.497%0.96780%0.8SS**  trans-91.272154.2-80-176.8-34.600109.1
204K31.7Very low34.3Very low179 Ų179159 Ų15978%0.77880%0.801SS**  trans-81.1118.9156.4-101-177175.6-179.30106.8G202 L206G202-K204 VanDerWaalsContact C-N 3.3Å; G202-K204 PolarHBondContact O-N 2.97Å; K204-L206 PolarHBondContact O-N 2.97Å
205S32.9Very low34Very low82 Ų82163.5 Ų163.557%0.57381%0.811SS**  trans-43.7131.6173.9163.10000111.6K207 Q208S205-K207 PolarHBondContact O-N 2.9Å; S205-K207 PolarHBondContact OG-N 3.36Å; S205-Q208 PolarHBondContact O-N 2.96Å
206L34.7Very low33.4Very low161 Ų161166.4 Ų166.484%0.84381%0.812SS**G310 helixtrans-54.5-4.7174.7-93.5144.2000114.4K204 Q208K204-L206 PolarHBondContact O-N 2.97Å; L206-Q208 VanDerWaalsContact C-N 3.34Å; L206-Q208 PolarHBondContact O-N 3.03Å
207K36.5Very low32.7Very low190 Ų190165 Ų16583%0.82682%0.815SS**G310 helixtrans-824.2176.1-73-171.1172.8-175.80115.6S205S205-K207 PolarHBondContact O-N 2.9Å; S205-K207 PolarHBondContact OG-N 3.36Å
208Q36.6Very low32.5Very low156 Ų156167.1 Ų167.173%0.72983%0.825SS**G310 helixtrans-119.98.7179.5-78.9-161.9-34.400116.5S205 L206S205-Q208 PolarHBondContact O-N 2.96Å; L206-Q208 VanDerWaalsContact C-N 3.34Å; L206-Q208 PolarHBondContact O-N 3.03Å
209I32Very low32.4Very low146 Ų146170.2 Ų170.275%0.74985%0.848SS**SBendtrans-90-11.8176.8-63.9174.7000112.9K211I209-K211 VanDerWaalsContact C-N 3.32Å; I209-K211 PolarHBondContact O-N 3.38Å; I209-K211 VanDerWaalsContact O-N 3.17Å
210E32.2Very low32.5Very low189 Ų189172 Ų17288%0.88385%0.849SS**SBendtrans-82.616.9-176.6-77.9-173.916000116.8
211K33.1Very low32.3Very low195 Ų195167.8 Ų167.885%0.84884%0.844SS**  trans-134.259.2179-72.8-169.6178.7-177.90114.4I209I209-K211 VanDerWaalsContact C-N 3.32Å; I209-K211 PolarHBondContact O-N 3.38Å; I209-K211 VanDerWaalsContact O-N 3.17Å
212K32.2Very low32.3Very low199 Ų199164.4 Ų164.487%0.86584%0.843SS**  trans-150.174147.4-70.5-160178.8179.50110.1V214K212-V214 PolarHBondContact O-N 2.73Å
213G33.1Very low32.4Very low80 Ų80169.5 Ų169.583%0.82585%0.845SS**PPolyproline II helixtrans-69118161.300000109.1K215G213-K215 PolarHBondContact O-N 3.06Å
214V30.7Very low32.4Very low126 Ų126167.2 Ų167.276%0.76484%0.838SS**PPolyproline II helixtrans-70.6116.9166.4173.60000107K212K212-V214 PolarHBondContact O-N 2.73Å
215K34.9Very low32.4Very low206 Ų206166.4 Ų166.490%0.89684%0.842SS**PPolyproline II helixtrans-93.9124.6168.9-110.6-177.7179.6-178.20108.3G213G213-K215 PolarHBondContact O-N 3.06Å
216Y26.3Very low32.4Very low217 Ų217172.4 Ų172.485%0.85186%0.861SS**PPolyproline II helixtrans-66.1147.4177.2-84.1-101.1000112.1
217H27.1Very low32.2Very low196 Ų196173.3 Ų173.391%0.90786%0.862SS**PPolyproline II helixtrans-64.1141.1163.3-79.3-84.6000111.7
218S30.2Very low31.9Very low110 Ų110171.9 Ų171.977%0.76987%0.865SS**  trans-155.3120.5154.448.40000109.2
219N33.9Very low31.4Very low243 Ų243173.4 Ų173.4100%1.29988%0.878SS**  trans68.20174.5-60.5-5.8000117.8

Retrieved 219 of 219 residues in 44.4 ms (Link to these results)

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