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Glutaredoxin-1

Has a glutathione-disulfide oxidoreductase activity in the presence of NADPH and glutathione reductase. Reduces low molecular weight disulfides and proteins.

AlphaFold DB , UniProt , Accession F7GJV9, Species MACMU (Macaca mulatta, Rhesus macaque), Gene GLRX, Length 106 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
1M79.8Confident94.9Very high178 Ų17870.8 Ų70.888%0.87737%0.365SS*.  093.60-76.5-177.8-81.400112Q3 E4M1-Q3 PolarHBondContact O-N 3.35Å; M1-E4 PolarHBondContact N-OE2 3.01Å
2A92.4Very high94.9Very high9 Ų971.8 Ų71.87%0.07438%0.379CS..  trans60.7-58.1-177.800000117.2F5 V6 E56 I57A2-F5 WeakPolarHBondContact O-CB 3.48Å; A2-F5 PolarHBondContact O-N 2.82Å; A2-V6 WeakPolarHBondContact O-CG2 3.47Å; A2-V6 PolarHBondContact O-N 3.03Å; A2-E56 HydrophobicContact CB-CB 3.73Å; A2-I57 HydrophobicContact CB-CG1 3.84Å
3Q95.4Very high94.9Very high101 Ų10168.5 Ų68.547%0.47237%0.373SS..Hα-helixtrans-59.7-51.5178.2-57.4-171.8-22.900111.8M1 F5 V6 N7 Y60M1-Q3 PolarHBondContact O-N 3.35Å; Q3-F5 VanDerWaalsContact C-N 3.25Å; Q3-F5 PolarHBondContact O-N 3.14Å; Q3-V6 PolarHBondContact O-N 3.47Å; Q3-N7 VanDerWaalsContact O-CB 3.26Å; Q3-N7 WeakPolarHBondContact O-CB 3.29Å; Q3-N7 PolarHBondContact O-N 3.08Å; Q3-N7 PolarHBondContact O-ND2 3.38Å; Q3-Y60 HydrophobicContact CB-CD1 4.32Å; Q3-Y60 HydrophobicContact CB-CD2 4.33Å; Q3-Y60 HydrophobicContact CB-CE1 4.12Å; Q3-Y60 HydrophobicContact CB-CE2 4.1Å; Q3-Y60 HydrophobicContact CB-CG 4.41Å; Q3-Y60 HydrophobicContact CG-CD1 4.26Å; Q3-Y60 HydrophobicContact CG-CD2 3.56Å; Q3-Y60 HydrophobicContact CG-CE1 4.38Å; Q3-Y60 HydrophobicContact CG-CE2 3.68Å; Q3-Y60 HydrophobicContact CG-CG 3.85Å
4E95.8Very high95.1Very high150 Ų15066.8 Ų66.870%0.70136%0.36SS*.Hα-helixtrans-59.7-36.9175.8-65.8163.9161.400112M1 G8M1-E4 PolarHBondContact N-OE2 3.01Å; E4-G8 WeakPolarHBondContact O-CA 3.49Å; E4-G8 PolarHBondContact O-N 3.49Å
5F96.1Very high95.3Very high63 Ų6362.3 Ų62.328%0.27634%0.336SS..Hα-helixtrans-64.5-52.3176.8171.7-96.4000110.5A2 Q3 G8 K9 F18 V46 T51 I57A2-F5 WeakPolarHBondContact O-CB 3.48Å; A2-F5 PolarHBondContact O-N 2.82Å; Q3-F5 VanDerWaalsContact C-N 3.25Å; Q3-F5 PolarHBondContact O-N 3.14Å; F5-G8 PolarHBondContact O-N 3.36Å; F5-K9 WeakPolarHBondContact O-CG 3.35Å; F5-K9 PolarHBondContact O-N 3.46Å; F5-F18 HydrophobicContact CE1-CE1 4.34Å; F5-V46 HydrophobicContact CE1-CG1 3.75Å; F5-V46 HydrophobicContact CZ-CG1 3.47Å; F5-V46 VanDerWaalsContact CZ-CG1 3.47Å; F5-T51 HydrophobicContact CE1-CG2 4.41Å; F5-T51 HydrophobicContact CE2-CG2 4.04Å; F5-T51 HydrophobicContact CZ-CG2 3.96Å; F5-I57 HydrophobicContact CD1-CD1 3.66Å; F5-I57 HydrophobicContact CD1-CG1 4.11Å; F5-I57 HydrophobicContact CE1-CD1 3.75Å
6V97.6Very high95.5Very high0 Ų058.4 Ų58.40%032%0.315CS..Hα-helixtrans-62.3-49.3179.1169.90000111A2 Q3 G8 K9 I10 F18 I57 Y60 L61 L64A2-V6 WeakPolarHBondContact O-CG2 3.47Å; A2-V6 PolarHBondContact O-N 3.03Å; Q3-V6 PolarHBondContact O-N 3.47Å; V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 3.35Å; V6-K9 PolarHBondContact O-N 3.19Å; V6-I10 HydrophobicContact CG1-CD1 3.79Å; V6-I10 WeakPolarHBondContact O-CG1 3.33Å; V6-I10 PolarHBondContact O-N 3.44Å; V6-F18 HydrophobicContact CB-CE1 4.43Å; V6-F18 HydrophobicContact CB-CZ 4.14Å; V6-F18 HydrophobicContact CG1-CE1 4.42Å; V6-F18 HydrophobicContact CG1-CE2 4.11Å; V6-F18 HydrophobicContact CG1-CZ 3.73Å; V6-F18 HydrophobicContact CG2-CE1 4.07Å; V6-F18 HydrophobicContact CG2-CZ 4.22Å; V6-I57 HydrophobicContact CG2-CG2 3.83Å; V6-Y60 HydrophobicContact CB-CD1 3.69Å; V6-Y60 HydrophobicContact CB-CE1 3.73Å; V6-Y60 HydrophobicContact CG1-CD1 3.82Å; V6-Y60 HydrophobicContact CG1-CE1 3.67Å; V6-Y60 HydrophobicContact CG2-CD1 3.93Å; V6-Y60 HydrophobicContact CG2-CE1 4.47Å; V6-L61 HydrophobicContact CG1-CD2 3.98Å; V6-L61 HydrophobicContact CG2-CD2 4.5Å; V6-L64 HydrophobicContact CG1-CD2 4.1Å
7N97.5Very high95.7Very high75 Ų7555 Ų5540%0.40130%0.296SS..Hα-helixtrans-65.8-33.6-178.6-67.5-16.2000112.5Q3 K9 I10 Y60Q3-N7 VanDerWaalsContact O-CB 3.26Å; Q3-N7 WeakPolarHBondContact O-CB 3.29Å; Q3-N7 PolarHBondContact O-N 3.08Å; Q3-N7 PolarHBondContact O-ND2 3.38Å; N7-K9 PolarHBondContact O-N 3.05Å; N7-I10 PolarHBondContact O-N 2.96Å; N7-Y60 VanDerWaalsContact CG-OH 3.25Å; N7-Y60 PolarHBondContact ND2-OH 2.95Å; N7-Y60 WeakPolarHBondContact OD1-CE1 3.01Å; N7-Y60 PolarHBondContact OD1-OH 2.97Å
8G97.3Very high95.8Very high48 Ų4851.9 Ų51.950%0.49528%0.28SS..Hα-helixtrans-67.1-2517700000113.5E4 F5 V6 Q11E4-G8 WeakPolarHBondContact O-CA 3.49Å; E4-G8 PolarHBondContact O-N 3.49Å; F5-G8 PolarHBondContact O-N 3.36Å; V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 3.35Å; G8-Q11 PolarHBondContact O-NE2 3.25Å
9K97.6Very high96Very high59 Ų5949.8 Ų49.826%0.25727%0.269SS..Hα-helixtrans-80.5-41.5175.6-61.7-57.8-171.9168.30112.2F5 V6 N7 Q11 V16 F18 E44 V46F5-K9 WeakPolarHBondContact O-CG 3.35Å; F5-K9 PolarHBondContact O-N 3.46Å; V6-K9 PolarHBondContact O-N 3.19Å; N7-K9 PolarHBondContact O-N 3.05Å; K9-Q11 PolarHBondContact O-N 2.82Å; K9-V16 HydrophobicContact CB-CG1 4.06Å; K9-V16 WeakPolarHBondContact O-CG2 3.3Å; K9-F18 HydrophobicContact CB-CE1 4.41Å; K9-F18 HydrophobicContact CB-CZ 4.07Å; K9-F18 HydrophobicContact CG-CE1 4.45Å; K9-E44 WeakPolarHBondContact CD-OE1 3.41Å; K9-E44 WeakPolarHBondContact CE-OE1 3.49Å; K9-E44 IonicContact NZ-OE1 3.93Å; K9-E44 PolarHBondContact NZ-OE1 3.12Å; K9-V46 HydrophobicContact CB-CG2 4.29Å; K9-V46 HydrophobicContact CD-CG2 4.16Å; K9-V46 HydrophobicContact CG-CG1 4.39Å; K9-V46 HydrophobicContact CG-CG2 3.99Å
10I97.9Very high96.1Very high21 Ų2149.9 Ų49.911%0.10827%0.266CS..  trans-70.7115.6-176.2-61.3164.5000110.4V6 N7 F18 L64 F74 G76 K77V6-I10 HydrophobicContact CG1-CD1 3.79Å; V6-I10 WeakPolarHBondContact O-CG1 3.33Å; V6-I10 PolarHBondContact O-N 3.44Å; N7-I10 PolarHBondContact O-N 2.96Å; I10-F18 HydrophobicContact CD1-CE2 4.32Å; I10-F18 HydrophobicContact CG1-CE2 4.17Å; I10-F18 HydrophobicContact CG1-CZ 4.35Å; I10-L64 HydrophobicContact CD1-CD2 3.86Å; I10-F74 HydrophobicContact CD1-CD1 3.85Å; I10-F74 HydrophobicContact CD1-CD2 4.39Å; I10-F74 HydrophobicContact CD1-CE1 3.51Å; I10-F74 HydrophobicContact CD1-CE2 4.1Å; I10-F74 HydrophobicContact CD1-CG 4.27Å; I10-F74 HydrophobicContact CD1-CZ 3.64Å; I10-F74 HydrophobicContact CG1-CD1 4.05Å; I10-F74 HydrophobicContact CG1-CD2 4.36Å; I10-F74 HydrophobicContact CG1-CE1 4.22Å; I10-F74 HydrophobicContact CG1-CG 4.11Å; I10-F74 HydrophobicContact CG1-CZ 4.46Å; I10-F74 HydrophobicContact CG2-CD1 4.1Å; I10-G76 WeakPolarHBondContact CG2-O 3.38Å; I10-K77 HydrophobicContact CG2-CB 4.44Å; I10-K77 HydrophobicContact CG2-CG 4.3Å
11Q96.8Very high96Very high75 Ų7550.6 Ų50.635%0.3527%0.274SS..  trans-135.9140.2-175.2-65178.513.700111G8 K9 G13 K14 G76G8-Q11 PolarHBondContact O-NE2 3.25Å; K9-Q11 PolarHBondContact O-N 2.82Å; Q11-G13 PolarHBondContact O-N 3.16Å; Q11-K14 HydrophobicContact CB-CB 4.19Å; Q11-K14 HydrophobicContact CB-CD 4.11Å; Q11-K14 HydrophobicContact CB-CG 4.07Å; Q11-K14 HydrophobicContact CG-CD 4.45Å; Q11-K14 PolarHBondContact O-N 3.43Å; Q11-G76 CarbonylContact O-C 3.42Å; Q11-G76 VanDerWaalsContact O-CA 3.27Å; Q11-G76 WeakPolarHBondContact O-CA 3.49Å
12P94.4Very high96.7Very high83 Ų8348.1 Ų48.154%0.53927%0.268SS..THydrogen-bonded Turntrans-51.9-31.2-174.1-29.634.4000116.9G76 K77P12-G76 WeakPolarHBondContact O-CA 3.42Å; P12-K77 HydrophobicContact CG-CD 4.29Å; P12-K77 HydrophobicContact CG-CG 4.21Å
13G95Very high96.9Very high29 Ų2948.6 Ų48.630%0.29927%0.271SS..THydrogen-bonded Turntrans-102.411.1-178.700000114.6Q11Q11-G13 PolarHBondContact O-N 3.16Å
14K97.4Very high97Very high44 Ų4448 Ų4819%0.19128%0.276CS..  trans-119.4151.8-175.3-67.1-167.7175.2175.40112.5Q11 V16 L42 G76Q11-K14 HydrophobicContact CB-CB 4.19Å; Q11-K14 HydrophobicContact CB-CD 4.11Å; Q11-K14 HydrophobicContact CB-CG 4.07Å; Q11-K14 HydrophobicContact CG-CD 4.45Å; Q11-K14 PolarHBondContact O-N 3.43Å; K14-V16 HydrophobicContact CB-CG2 4.18Å; K14-L42 CarbonylContact C-O 3.55Å; K14-L42 WeakPolarHBondContact CA-O 3.28Å; K14-L42 HydrophobicContact CG-CD2 4.26Å; K14-G76 WeakPolarHBondContact O-CA 3.48Å; K14-G76 PolarHBondContact O-N 3.03Å
15V98.4Very high97.1Very high0 Ų047.7 Ų47.70%027%0.27CS..EExtended strand (participates in β ladder)trans-99119.8164-175.60000107.6L33 I38 L42 L43 E44 F74 L99 I102V15-L33 HydrophobicContact CG1-CD1 4.14Å; V15-L33 HydrophobicContact CG1-CD2 4.2Å; V15-I38 HydrophobicContact CG2-CD1 4.25Å; V15-L42 PolarHBondContact N-O 2.81Å; V15-L43 HydrophobicContact CB-CD1 3.87Å; V15-L43 HydrophobicContact CG1-CD1 3.7Å; V15-L43 WeakPolarHBondContact O-CA 3.23Å; V15-E44 PolarHBondContact O-N 3.22Å; V15-F74 VanDerWaalsContact CA-O 3.32Å; V15-F74 WeakPolarHBondContact CA-O 3.44Å; V15-L99 HydrophobicContact CG2-CD2 3.28Å; V15-I102 HydrophobicContact CG2-CD1 4.37Å
16V98.6Very high97.2Very high0 Ų044.8 Ų44.80%026%0.257CS..EExtended strand (participates in β ladder)trans-123131.1-178179.70000108.8K9 K14 F18 E44 V46 F74K9-V16 HydrophobicContact CB-CG1 4.06Å; K9-V16 WeakPolarHBondContact O-CG2 3.3Å; K14-V16 HydrophobicContact CB-CG2 4.18Å; V16-F18 HydrophobicContact CG1-CD2 4.45Å; V16-F18 HydrophobicContact CG1-CE2 3.99Å; V16-F18 HydrophobicContact CG1-CZ 4.13Å; V16-E44 WeakPolarHBondContact CA-O 3.32Å; V16-V46 HydrophobicContact CG1-CG2 3.83Å; V16-F74 HydrophobicContact CB-CB 4.37Å; V16-F74 PolarHBondContact N-O 3.16Å; V16-F74 PolarHBondContact O-N 2.89Å
17V98.6Very high97.3Very high0 Ų051.4 Ų51.40%028%0.282CS..EExtended strand (participates in β ladder)trans-125.3116.3176.1-168.20000110I19 L33 E44 F45 V46 P71 R72 V73V17-I19 HydrophobicContact CB-CG2 4.27Å; V17-I19 HydrophobicContact CG1-CG2 3.66Å; V17-L33 HydrophobicContact CG2-CD1 3.38Å; V17-E44 PolarHBondContact N-O 2.91Å; V17-F45 HydrophobicContact CB-CD1 3.78Å; V17-F45 HydrophobicContact CB-CE1 4.06Å; V17-F45 HydrophobicContact CG1-CD1 4.49Å; V17-F45 HydrophobicContact CG2-CD1 4.08Å; V17-F45 HydrophobicContact CG2-CE1 3.87Å; V17-F45 WeakPolarHBondContact O-CA 3.26Å; V17-V46 PolarHBondContact O-N 3Å; V17-P71 HydrophobicContact CG1-CB 3.83Å; V17-R72 WeakPolarHBondContact CA-O 3.33Å; V17-V73 HydrophobicContact CG1-CG2 3.91Å; V17-V73 HydrophobicContact CG2-CG1 4.2Å; V17-V73 HydrophobicContact CG2-CG2 4.23Å
18F98.6Very high97.3Very high0 Ų053.9 Ų53.90%029%0.286CS..EExtended strand (participates in β ladder)trans-79.6124171-63.7-83.4000109.3F5 V6 K9 I10 V16 V46 I48 L61 P71 R72 F74F5-F18 HydrophobicContact CE1-CE1 4.34Å; V6-F18 HydrophobicContact CB-CE1 4.43Å; V6-F18 HydrophobicContact CB-CZ 4.14Å; V6-F18 HydrophobicContact CG1-CE1 4.42Å; V6-F18 HydrophobicContact CG1-CE2 4.11Å; V6-F18 HydrophobicContact CG1-CZ 3.73Å; V6-F18 HydrophobicContact CG2-CE1 4.07Å; V6-F18 HydrophobicContact CG2-CZ 4.22Å; K9-F18 HydrophobicContact CB-CE1 4.41Å; K9-F18 HydrophobicContact CB-CZ 4.07Å; K9-F18 HydrophobicContact CG-CE1 4.45Å; I10-F18 HydrophobicContact CD1-CE2 4.32Å; I10-F18 HydrophobicContact CG1-CE2 4.17Å; I10-F18 HydrophobicContact CG1-CZ 4.35Å; V16-F18 HydrophobicContact CG1-CD2 4.45Å; V16-F18 HydrophobicContact CG1-CE2 3.99Å; V16-F18 HydrophobicContact CG1-CZ 4.13Å; F18-V46 WeakPolarHBondContact CA-O 3.4Å; F18-V46 HydrophobicContact CD1-CB 3.78Å; F18-V46 HydrophobicContact CD1-CG1 3.77Å; F18-V46 HydrophobicContact CD1-CG2 4.48Å; F18-V46 HydrophobicContact CE1-CB 4.05Å; F18-V46 HydrophobicContact CE1-CG1 3.85Å; F18-V46 HydrophobicContact CE1-CG2 4.35Å; F18-I48 HydrophobicContact CB-CG2 3.96Å; F18-I48 HydrophobicContact CD1-CG2 3.78Å; F18-I48 HydrophobicContact CG-CG2 4.34Å; F18-L61 HydrophobicContact CB-CD1 4.02Å; F18-L61 HydrophobicContact CD2-CD2 3.85Å; F18-L61 HydrophobicContact CE2-CD2 4.09Å; F18-L61 HydrophobicContact CG-CD1 4.15Å; F18-L61 HydrophobicContact CG-CD2 4.27Å; F18-P71 VanDerWaalsContact O-CA 3.27Å; F18-P71 WeakPolarHBondContact O-CA 3.46Å; F18-R72 HydrophobicContact CB-CB 4.4Å; F18-R72 HydrophobicContact CD2-CB 4.43Å; F18-R72 PolarHBondContact N-O 2.88Å; F18-R72 PolarHBondContact O-N 3.14Å; F18-R72 VanDerWaalsContact O-N 3.16Å; F18-F74 AromaticContact CD2-CD2 3.99Å; F18-F74 HydrophobicContact CD2-CD2 3.99Å; F18-F74 AromaticContact CD2-CE2 3.8Å; F18-F74 HydrophobicContact CD2-CE2 3.8Å; F18-F74 AromaticContact CE2-CD2 3.84Å; F18-F74 HydrophobicContact CE2-CD2 3.84Å; F18-F74 AromaticContact CE2-CE2 3.67Å; F18-F74 HydrophobicContact CE2-CE2 3.67Å
19I98.6Very high97.3Very high12 Ų1251.6 Ų51.66%0.06226%0.262CS..EExtended strand (participates in β ladder)trans-131.8168.2-171.161.9163.1000112.5V17 C26 F45 V46 I48V17-I19 HydrophobicContact CB-CG2 4.27Å; V17-I19 HydrophobicContact CG1-CG2 3.66Å; I19-C26 HydrophobicContact CB-CB 3.82Å; I19-C26 HydrophobicContact CG2-CB 3.75Å; I19-F45 HydrophobicContact CD1-CB 3.96Å; I19-F45 HydrophobicContact CG1-CB 4.5Å; I19-F45 HydrophobicContact CG2-CD1 4.46Å; I19-V46 WeakPolarHBondContact CG1-O 3.45Å; I19-V46 PolarHBondContact N-O 2.97Å; I19-I48 PolarHBondContact O-N 3.34Å; I19-I48 VanDerWaalsContact O-N 3.16Å
20K97.9Very high97.3Very high50 Ų5051.5 Ų51.522%0.21726%0.262CS..  trans-126.3138.2161.4-65.3-176.1-178.2-171.80109T22 C23 I48 T49 Q58 V70K20-T22 VanDerWaalsContact C-N 3.26Å; K20-T22 PolarHBondContact O-N 3.28Å; K20-T22 VanDerWaalsContact O-N 3.15Å; K20-C23 HydrophobicContact CB-CB 4.3Å; K20-C23 WeakPolarHBondContact O-CB 3.43Å; K20-C23 PolarHBondContact O-N 3.49Å; K20-I48 HydrophobicContact CG-CD1 4.21Å; K20-I48 HydrophobicContact CG-CG1 3.92Å; K20-T49 HydrophobicContact CB-CG2 4.25Å; K20-T49 HydrophobicContact CD-CG2 4.11Å; K20-T49 HydrophobicContact CG-CG2 3.78Å; K20-Q58 VanDerWaalsContact NZ-CD 3.34Å; K20-V70 HydrophobicContact CB-CG2 3.99Å; K20-V70 HydrophobicContact CD-CG2 3.93Å; K20-V70 HydrophobicContact CG-CG1 4.29Å; K20-V70 HydrophobicContact CG-CG2 3.66Å
21P94.4Very high97.3Very high66 Ų6655.9 Ų55.943%0.42928%0.283SS..THydrogen-bonded Turntrans-57.8-32.1-173.1-2935.6000115.5D47P21-D47 WeakPolarHBondContact CD-OD1 3.44Å; P21-D47 WeakPolarHBondContact CD-OD2 3.5Å; P21-D47 WeakPolarHBondContact CG-OD2 3.47Å
22T93.6Very high97.4Very high125 Ų12553 Ų5377%0.76727%0.269SS*.THydrogen-bonded Turntrans-89.6-2.6-177.755.60000113.7K20 P24K20-T22 VanDerWaalsContact C-N 3.26Å; K20-T22 PolarHBondContact O-N 3.28Å; K20-T22 VanDerWaalsContact O-N 3.15Å; T22-P24 WeakPolarHBondContact O-CD 3.1Å
23C97.1Very high97.5Very high19 Ų1949 Ų4913%0.12824%0.244CC..  trans-82.8117.5-176.4177.40000111.4K20 Y25 C26 R27 V70K20-C23 HydrophobicContact CB-CB 4.3Å; K20-C23 WeakPolarHBondContact O-CB 3.43Å; K20-C23 PolarHBondContact O-N 3.49Å; C23-Y25 VanDerWaalsContact C-N 3.3Å; C23-Y25 PolarHBondContact O-N 3.37Å; C23-C26 HydrophobicContact CB-CB 3.91Å; C23-C26 WeakPolarHBondContact CB-SG 3.33Å; C23-C26 WeakPolarHBondContact O-CB 3.25Å; C23-C26 PolarHBondContact O-N 3.49Å; C23-C26 VanDerWaalsContact O-N 3.09Å; C23-C26 PolarHBondContact SG-SG 3.45Å; C23-R27 PolarHBondContact O-N 3.44Å; C23-V70 HydrophobicContact CB-CG2 4.23Å
24P97.8Very high97.6Very high89 Ų8951.4 Ų51.458%0.57826%0.255SS*.Hα-helixtrans-64.3-33.7-179.625.3-33.8000112.7T22 C26 R27 R28T22-P24 WeakPolarHBondContact O-CD 3.1Å; P24-C26 VanDerWaalsContact C-N 3.29Å; P24-C26 PolarHBondContact O-N 3.43Å; P24-R27 PolarHBondContact O-N 3.26Å; P24-R28 PolarHBondContact O-N 2.97Å; P24-R28 VanDerWaalsContact O-N 3.14Å
25Y98.4Very high97.5Very high144 Ų14456.7 Ų56.757%0.56528%0.281SS*.Hα-helixtrans-68-28.7175.4-60.1-73.8000112.8C23 A29 C83C23-Y25 VanDerWaalsContact C-N 3.3Å; C23-Y25 PolarHBondContact O-N 3.37Å; Y25-A29 PolarHBondContact O-N 2.85Å; Y25-A29 VanDerWaalsContact O-N 3.12Å; Y25-C83 HydrophobicContact CD1-CB 4.33Å
26C98.3Very high97.4Very high1 Ų158.1 Ų58.11%0.00729%0.288CS..Hα-helixtrans-68.6-42.4173.5-66.80000110.9I19 C23 P24 R28 A29 Q30I19-C26 HydrophobicContact CB-CB 3.82Å; I19-C26 HydrophobicContact CG2-CB 3.75Å; C23-C26 HydrophobicContact CB-CB 3.91Å; C23-C26 WeakPolarHBondContact CB-SG 3.33Å; C23-C26 WeakPolarHBondContact O-CB 3.25Å; C23-C26 PolarHBondContact O-N 3.49Å; C23-C26 VanDerWaalsContact O-N 3.09Å; C23-C26 PolarHBondContact SG-SG 3.45Å; P24-C26 VanDerWaalsContact C-N 3.29Å; P24-C26 PolarHBondContact O-N 3.43Å; C26-R28 PolarHBondContact O-N 3.04Å; C26-A29 PolarHBondContact O-N 3.43Å; C26-Q30 WeakPolarHBondContact O-CG 3.48Å; C26-Q30 PolarHBondContact O-N 2.89Å
27R98.3Very high97.2Very high140 Ų14061.3 Ų61.353%0.52831%0.309SS..Hα-helixtrans-59.4-46176.2-64.8-176.8-173178.50.3111.7C23 P24 A29 Q30 E31C23-R27 PolarHBondContact O-N 3.44Å; P24-R27 PolarHBondContact O-N 3.26Å; R27-A29 PolarHBondContact O-N 3.33Å; R27-Q30 WeakPolarHBondContact O-CB 3.38Å; R27-Q30 PolarHBondContact O-N 3.44Å; R27-Q30 VanDerWaalsContact O-N 3.16Å; R27-E31 WeakPolarHBondContact O-CG 3.39Å; R27-E31 PolarHBondContact O-N 3.05Å
28R98.2Very high97.1Very high127 Ų12762.5 Ų62.548%0.47932%0.315SS..Hα-helixtrans-60.3-42.5175.9-175.6173.2179.2176.70.6112.7P24 C26 Q30 E31 I32P24-R28 PolarHBondContact O-N 2.97Å; P24-R28 VanDerWaalsContact O-N 3.14Å; C26-R28 PolarHBondContact O-N 3.04Å; R28-Q30 VanDerWaalsContact C-N 3.33Å; R28-E31 PolarHBondContact O-N 3.44Å; R28-I32 HydrophobicContact CG-CD1 4.16Å; R28-I32 WeakPolarHBondContact O-CG1 3.3Å; R28-I32 PolarHBondContact O-N 3Å
29A98.2Very high97Very high0 Ų066.9 Ų66.90%033%0.334CS..Hα-helixtrans-64.5-38.9175.800000112.1Y25 C26 R27 L33 P71 L86Y25-A29 PolarHBondContact O-N 2.85Å; Y25-A29 VanDerWaalsContact O-N 3.12Å; C26-A29 PolarHBondContact O-N 3.43Å; R27-A29 PolarHBondContact O-N 3.33Å; A29-L33 WeakPolarHBondContact O-CG 3.48Å; A29-L33 PolarHBondContact O-N 2.89Å; A29-L33 VanDerWaalsContact O-N 3.11Å; A29-P71 HydrophobicContact CB-CB 4.35Å; A29-P71 HydrophobicContact CB-CG 4.14Å; A29-L86 HydrophobicContact CB-CD2 3.73Å
30Q97.9Very high96.8Very high56 Ų5675.7 Ų75.726%0.26238%0.375SS..Hα-helixtrans-61.2-47.5173.7-75.6175.2-61.900111.9C26 R27 R28 L33 S34 F45C26-Q30 WeakPolarHBondContact O-CG 3.48Å; C26-Q30 PolarHBondContact O-N 2.89Å; R27-Q30 WeakPolarHBondContact O-CB 3.38Å; R27-Q30 PolarHBondContact O-N 3.44Å; R27-Q30 VanDerWaalsContact O-N 3.16Å; R28-Q30 VanDerWaalsContact C-N 3.33Å; Q30-L33 PolarHBondContact O-N 3.38Å; Q30-S34 WeakPolarHBondContact O-CB 3.2Å; Q30-S34 PolarHBondContact O-N 2.87Å; Q30-S34 PolarHBondContact O-OG 3.45Å; Q30-F45 HydrophobicContact CB-CE1 4Å; Q30-F45 HydrophobicContact CB-CZ 4.01Å; Q30-F45 HydrophobicContact CG-CD1 3.42Å; Q30-F45 VanDerWaalsContact CG-CD1 3.42Å; Q30-F45 HydrophobicContact CG-CD2 4.3Å; Q30-F45 HydrophobicContact CG-CE1 3.33Å; Q30-F45 HydrophobicContact CG-CE2 4.19Å; Q30-F45 HydrophobicContact CG-CG 3.94Å; Q30-F45 HydrophobicContact CG-CZ 3.73Å
31E97.7Very high96.7Very high114 Ų11475.9 Ų75.953%0.53339%0.391SS..Hα-helixtrans-59.1-47.7178.3-72.6163.1-171.100111.9R27 R28 S34 Q35R27-E31 WeakPolarHBondContact O-CG 3.39Å; R27-E31 PolarHBondContact O-N 3.05Å; R28-E31 PolarHBondContact O-N 3.44Å; E31-S34 PolarHBondContact O-N 3.34Å; E31-Q35 VanDerWaalsContact O-CG 3.3Å; E31-Q35 WeakPolarHBondContact O-CG 3.34Å; E31-Q35 PolarHBondContact O-N 2.96Å
32I97.5Very high96.8Very high14 Ų1474.9 Ų74.97%0.07238%0.382CS..Hα-helixtrans-56.3-54177-74.9164.8000110.8R28 S34 Q35 L86 V87 Q90 L95R28-I32 HydrophobicContact CG-CD1 4.16Å; R28-I32 WeakPolarHBondContact O-CG1 3.3Å; R28-I32 PolarHBondContact O-N 3Å; I32-S34 PolarHBondContact O-N 3.3Å; I32-Q35 PolarHBondContact O-N 2.96Å; I32-L86 HydrophobicContact CB-CD2 4.28Å; I32-L86 HydrophobicContact CD1-CD2 4.37Å; I32-L86 HydrophobicContact CD1-CG 4.49Å; I32-L86 HydrophobicContact CG2-CD1 4.25Å; I32-L86 HydrophobicContact CG2-CD2 3.98Å; I32-L86 HydrophobicContact CG2-CG 4.02Å; I32-V87 HydrophobicContact CD1-CG2 3.58Å; I32-Q90 VanDerWaalsContact CG2-OE1 3.22Å; I32-L95 HydrophobicContact CG2-CD2 4.34Å
33L97.6Very high97Very high0 Ų071 Ų710%036%0.356CS..Hα-helixtrans-71.8-31-173.9-68.2168.8000112.6V15 V17 A29 Q30 Q35 L36 I38 L43 F45 L86V15-L33 HydrophobicContact CG1-CD1 4.14Å; V15-L33 HydrophobicContact CG1-CD2 4.2Å; V17-L33 HydrophobicContact CG2-CD1 3.38Å; A29-L33 WeakPolarHBondContact O-CG 3.48Å; A29-L33 PolarHBondContact O-N 2.89Å; A29-L33 VanDerWaalsContact O-N 3.11Å; Q30-L33 PolarHBondContact O-N 3.38Å; L33-Q35 VanDerWaalsContact C-N 3.26Å; L33-Q35 PolarHBondContact O-N 3.22Å; L33-L36 HydrophobicContact CD2-CD1 4.13Å; L33-L36 PolarHBondContact O-N 2.76Å; L33-I38 HydrophobicContact CD2-CD1 4.47Å; L33-L43 HydrophobicContact CB-CD1 4.04Å; L33-L43 HydrophobicContact CB-CD2 4.06Å; L33-L43 HydrophobicContact CD1-CD1 4.1Å; L33-F45 HydrophobicContact CB-CZ 4.25Å; L33-F45 HydrophobicContact CD1-CE1 4.22Å; L33-L86 HydrophobicContact CD1-CD2 4.21Å; L33-L86 HydrophobicContact CD2-CD1 4.01Å; L33-L86 HydrophobicContact CG-CD1 4.46Å; L33-L86 HydrophobicContact CG-CD2 4.1Å
34S96.1Very high97.1Very high78 Ų7872.4 Ų72.455%0.54536%0.361SS..Hα-helixtrans-72.6-18.4178.8-57.20000113.1Q30 E31 I32 L36Q30-S34 WeakPolarHBondContact O-CB 3.2Å; Q30-S34 PolarHBondContact O-N 2.87Å; Q30-S34 PolarHBondContact O-OG 3.45Å; E31-S34 PolarHBondContact O-N 3.34Å; I32-S34 PolarHBondContact O-N 3.3Å; S34-L36 VanDerWaalsContact C-N 3.34Å
35Q95.9Very high97.1Very high156 Ų15671 Ų7173%0.72935%0.346SS*.THydrogen-bonded Turntrans-83.5-11.2174.4-71.317330.800113E31 I32 L33E31-Q35 VanDerWaalsContact O-CG 3.3Å; E31-Q35 WeakPolarHBondContact O-CG 3.34Å; E31-Q35 PolarHBondContact O-N 2.96Å; I32-Q35 PolarHBondContact O-N 2.96Å; L33-Q35 VanDerWaalsContact C-N 3.26Å; L33-Q35 PolarHBondContact O-N 3.22Å
36L95.6Very high97.1Very high29 Ų2964.5 Ų64.515%0.15232%0.321CS..SBendtrans-86.9147.9-179.2-60.7174.9000110.7L33 S34 I38 L95 L96 L99L33-L36 HydrophobicContact CD2-CD1 4.13Å; L33-L36 PolarHBondContact O-N 2.76Å; S34-L36 VanDerWaalsContact C-N 3.34Å; L36-I38 HydrophobicContact CB-CD1 4.16Å; L36-I38 HydrophobicContact CB-CG1 3.99Å; L36-I38 PolarHBondContact O-N 2.95Å; L36-L95 HydrophobicContact CD1-CD2 3.62Å; L36-L95 HydrophobicContact CD1-CG 4.05Å; L36-L96 HydrophobicContact CD2-CD2 4.1Å; L36-L99 HydrophobicContact CD1-CD1 3.67Å
37P95.7Very high97.1Very high68 Ų6866.8 Ų66.844%0.44233%0.333SS..  trans-77.658.6178.833.8-35.9000111L105 Q106P37-L105 HydrophobicContact CG-CD2 4.35Å; P37-L105 CarbonylContact O-C 3.57Å; P37-L105 WeakPolarHBondContact O-CA 3.42Å; P37-Q106 HydrophobicContact CB-CB 4.45Å; P37-Q106 PolarHBondContact O-N 2.94Å
38I96.6Very high97Very high24 Ų2460.1 Ų60.112%0.12331%0.308CS..BIsolated β-bridgetrans-80.5132.1176.5-60.8170.3000108.4V15 L33 L36 L42 L43 L99 A104 L105V15-I38 HydrophobicContact CG2-CD1 4.25Å; L33-I38 HydrophobicContact CD2-CD1 4.47Å; L36-I38 HydrophobicContact CB-CD1 4.16Å; L36-I38 HydrophobicContact CB-CG1 3.99Å; L36-I38 PolarHBondContact O-N 2.95Å; I38-L42 HydrophobicContact CG2-CB 4.02Å; I38-L43 HydrophobicContact CD1-CD1 4.42Å; I38-L43 HydrophobicContact CD1-CD2 4.36Å; I38-L43 HydrophobicContact CG2-CB 4.08Å; I38-L99 HydrophobicContact CD1-CD1 4.21Å; I38-L99 HydrophobicContact CD1-CD2 4.32Å; I38-L99 HydrophobicContact CG1-CD1 4.2Å; I38-A104 CarbonylContact C-O 3.56Å; I38-A104 WeakPolarHBondContact CA-O 3.18Å; I38-A104 HydrophobicContact CG2-CB 4.46Å; I38-L105 HydrophobicContact CG1-CD2 4.35Å
39K96.8Very high96.9Very high92 Ų9257 Ų5740%0.430%0.304SS..PPolyproline II helixtrans-55.6143.3177.9-66.7172.5173.1147.50111G41 L42 G103 A104 L105K39-G41 PolarHBondContact O-N 3.49Å; K39-L42 HydrophobicContact CB-CD1 3.8Å; K39-L42 HydrophobicContact CB-CG 4.07Å; K39-L42 HydrophobicContact CD-CD1 4.06Å; K39-L42 HydrophobicContact CG-CD1 4.45Å; K39-L42 WeakPolarHBondContact O-CB 3.33Å; K39-L42 PolarHBondContact O-N 3.3Å; K39-L42 VanDerWaalsContact O-N 3.09Å; K39-G103 PolarHBondContact NZ-O 3.04Å; K39-A104 PolarHBondContact N-O 3.21Å; K39-L105 WeakPolarHBondContact CE-O 3.39Å; K39-L105 PolarHBondContact NZ-O 3.34Å
40Q94Very high96.7Very high198 Ų19861 Ų6193%0.92534%0.336SS*.THydrogen-bonded Turntrans-54.3134.2178-171.41773.700111.3L42Q40-L42 VanDerWaalsContact C-N 3.26Å; Q40-L42 PolarHBondContact O-N 3.47Å
41G94.3Very high96.2Very high54 Ų5459.8 Ų59.856%0.55733%0.333SS*.THydrogen-bonded Turntrans80.7-3.6179.800000115.3K39K39-G41 PolarHBondContact O-N 3.49Å
42L97.5Very high95.9Very high44 Ų4462.2 Ų62.223%0.2335%0.349CS..SBendtrans-96-9175.2-56.5-169.4000113.7K14 V15 I38 K39 Q40 A104K14-L42 CarbonylContact C-O 3.55Å; K14-L42 WeakPolarHBondContact CA-O 3.28Å; K14-L42 HydrophobicContact CG-CD2 4.26Å; V15-L42 PolarHBondContact N-O 2.81Å; I38-L42 HydrophobicContact CG2-CB 4.02Å; K39-L42 HydrophobicContact CB-CD1 3.8Å; K39-L42 HydrophobicContact CB-CG 4.07Å; K39-L42 HydrophobicContact CD-CD1 4.06Å; K39-L42 HydrophobicContact CG-CD1 4.45Å; K39-L42 WeakPolarHBondContact O-CB 3.33Å; K39-L42 PolarHBondContact O-N 3.3Å; K39-L42 VanDerWaalsContact O-N 3.09Å; Q40-L42 VanDerWaalsContact C-N 3.26Å; Q40-L42 PolarHBondContact O-N 3.47Å; L42-A104 HydrophobicContact CD1-CB 4.19Å
43L98.2Very high95.8Very high44 Ų4465.5 Ų65.523%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-107.7122.5171.2179.162000110V15 L33 I38 F45V15-L43 HydrophobicContact CB-CD1 3.87Å; V15-L43 HydrophobicContact CG1-CD1 3.7Å; V15-L43 WeakPolarHBondContact O-CA 3.23Å; L33-L43 HydrophobicContact CB-CD1 4.04Å; L33-L43 HydrophobicContact CB-CD2 4.06Å; L33-L43 HydrophobicContact CD1-CD1 4.1Å; I38-L43 HydrophobicContact CD1-CD1 4.42Å; I38-L43 HydrophobicContact CD1-CD2 4.36Å; I38-L43 HydrophobicContact CG2-CB 4.08Å; L43-F45 HydrophobicContact CD1-CE1 4.32Å; L43-F45 HydrophobicContact CD1-CE2 4.33Å; L43-F45 HydrophobicContact CD1-CZ 3.93Å; L43-F45 HydrophobicContact CD2-CE2 3.76Å; L43-F45 HydrophobicContact CD2-CZ 3.76Å; L43-F45 HydrophobicContact CG-CE2 3.87Å; L43-F45 HydrophobicContact CG-CZ 3.94Å
44E98.2Very high95.7Very high48 Ų4866.9 Ų66.922%0.22437%0.373CS..EExtended strand (participates in β ladder)trans-128.8128178.4-171176.1175.800111.3K9 V15 V16 V17 V46K9-E44 WeakPolarHBondContact CD-OE1 3.41Å; K9-E44 WeakPolarHBondContact CE-OE1 3.49Å; K9-E44 IonicContact NZ-OE1 3.93Å; K9-E44 PolarHBondContact NZ-OE1 3.12Å; V15-E44 PolarHBondContact O-N 3.22Å; V16-E44 WeakPolarHBondContact CA-O 3.32Å; V17-E44 PolarHBondContact N-O 2.91Å; E44-V46 HydrophobicContact CG-CG2 3.95Å
45F98.3Very high95.8Very high61 Ų6167.8 Ų67.827%0.26837%0.371SS..EExtended strand (participates in β ladder)trans-102.6116.1170.6-61.7-71.6000109.2V17 I19 Q30 L33 L43V17-F45 HydrophobicContact CB-CD1 3.78Å; V17-F45 HydrophobicContact CB-CE1 4.06Å; V17-F45 HydrophobicContact CG1-CD1 4.49Å; V17-F45 HydrophobicContact CG2-CD1 4.08Å; V17-F45 HydrophobicContact CG2-CE1 3.87Å; V17-F45 WeakPolarHBondContact O-CA 3.26Å; I19-F45 HydrophobicContact CD1-CB 3.96Å; I19-F45 HydrophobicContact CG1-CB 4.5Å; I19-F45 HydrophobicContact CG2-CD1 4.46Å; Q30-F45 HydrophobicContact CB-CE1 4Å; Q30-F45 HydrophobicContact CB-CZ 4.01Å; Q30-F45 HydrophobicContact CG-CD1 3.42Å; Q30-F45 VanDerWaalsContact CG-CD1 3.42Å; Q30-F45 HydrophobicContact CG-CD2 4.3Å; Q30-F45 HydrophobicContact CG-CE1 3.33Å; Q30-F45 HydrophobicContact CG-CE2 4.19Å; Q30-F45 HydrophobicContact CG-CG 3.94Å; Q30-F45 HydrophobicContact CG-CZ 3.73Å; L33-F45 HydrophobicContact CB-CZ 4.25Å; L33-F45 HydrophobicContact CD1-CE1 4.22Å; L43-F45 HydrophobicContact CD1-CE1 4.32Å; L43-F45 HydrophobicContact CD1-CE2 4.33Å; L43-F45 HydrophobicContact CD1-CZ 3.93Å; L43-F45 HydrophobicContact CD2-CE2 3.76Å; L43-F45 HydrophobicContact CD2-CZ 3.76Å; L43-F45 HydrophobicContact CG-CE2 3.87Å; L43-F45 HydrophobicContact CG-CZ 3.94Å
46V98.1Very high95.9Very high7 Ų764.6 Ų64.64%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-104107.2-174.5-176.30000109.2F5 K9 V16 V17 F18 I19 E44 I48F5-V46 HydrophobicContact CE1-CG1 3.75Å; F5-V46 HydrophobicContact CZ-CG1 3.47Å; F5-V46 VanDerWaalsContact CZ-CG1 3.47Å; K9-V46 HydrophobicContact CB-CG2 4.29Å; K9-V46 HydrophobicContact CD-CG2 4.16Å; K9-V46 HydrophobicContact CG-CG1 4.39Å; K9-V46 HydrophobicContact CG-CG2 3.99Å; V16-V46 HydrophobicContact CG1-CG2 3.83Å; V17-V46 PolarHBondContact O-N 3Å; F18-V46 WeakPolarHBondContact CA-O 3.4Å; F18-V46 HydrophobicContact CD1-CB 3.78Å; F18-V46 HydrophobicContact CD1-CG1 3.77Å; F18-V46 HydrophobicContact CD1-CG2 4.48Å; F18-V46 HydrophobicContact CE1-CB 4.05Å; F18-V46 HydrophobicContact CE1-CG1 3.85Å; F18-V46 HydrophobicContact CE1-CG2 4.35Å; I19-V46 WeakPolarHBondContact CG1-O 3.45Å; I19-V46 PolarHBondContact N-O 2.97Å; E44-V46 HydrophobicContact CG-CG2 3.95Å; V46-I48 PolarHBondContact O-N 2.79Å
47D97.9Very high96Very high48 Ų4863.3 Ų63.326%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-73.8110.7171.5-176.5-2.3000110.2P21 T49 A50P21-D47 WeakPolarHBondContact CD-OD1 3.44Å; P21-D47 WeakPolarHBondContact CD-OD2 3.5Å; P21-D47 WeakPolarHBondContact CG-OD2 3.47Å; D47-T49 VanDerWaalsContact CG-OG1 3.3Å; D47-T49 PolarHBondContact O-N 2.87Å; D47-T49 WeakPolarHBondContact OD1-CA 3.39Å; D47-T49 WeakPolarHBondContact OD1-CB 3.38Å; D47-T49 PolarHBondContact OD1-N 3.41Å; D47-T49 PolarHBondContact OD1-OG1 3.11Å; D47-T49 PolarHBondContact OD2-OG1 3.41Å; D47-A50 HydrophobicContact CB-CB 4.29Å; D47-A50 PolarHBondContact O-N 3.28Å
48I97.3Very high96.1Very high0 Ų060.7 Ų60.70%033%0.332CS..G310 helixtrans-74.4-18.2-179.568.8174.3000112.7F18 I19 K20 V46 A50 T51 T54 I57 Q58 V70F18-I48 HydrophobicContact CB-CG2 3.96Å; F18-I48 HydrophobicContact CD1-CG2 3.78Å; F18-I48 HydrophobicContact CG-CG2 4.34Å; I19-I48 PolarHBondContact O-N 3.34Å; I19-I48 VanDerWaalsContact O-N 3.16Å; K20-I48 HydrophobicContact CG-CD1 4.21Å; K20-I48 HydrophobicContact CG-CG1 3.92Å; V46-I48 PolarHBondContact O-N 2.79Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-T51 PolarHBondContact O-OG1 3.47Å; I48-T51 VanDerWaalsContact O-OG1 3.05Å; I48-T54 HydrophobicContact CD1-CG2 4.21Å; I48-T54 HydrophobicContact CG1-CG2 4.19Å; I48-T54 PolarHBondContact O-OG1 3.29Å; I48-T54 VanDerWaalsContact O-OG1 3.04Å; I48-I57 HydrophobicContact CB-CD1 4.39Å; I48-I57 HydrophobicContact CB-CG2 3.99Å; I48-I57 HydrophobicContact CD1-CG2 4.43Å; I48-I57 HydrophobicContact CG2-CG2 3.72Å; I48-Q58 HydrophobicContact CD1-CG 3.59Å; I48-V70 HydrophobicContact CD1-CG1 3.7Å; I48-V70 HydrophobicContact CG1-CG1 4.48Å
49T96.3Very high96.2Very high63 Ų6363 Ų6339%0.38735%0.345SS..G310 helixtrans-80.9-13.8177.872.40000113.6K20 D47 T51 T54K20-T49 HydrophobicContact CB-CG2 4.25Å; K20-T49 HydrophobicContact CD-CG2 4.11Å; K20-T49 HydrophobicContact CG-CG2 3.78Å; D47-T49 VanDerWaalsContact CG-OG1 3.3Å; D47-T49 PolarHBondContact O-N 2.87Å; D47-T49 WeakPolarHBondContact OD1-CA 3.39Å; D47-T49 WeakPolarHBondContact OD1-CB 3.38Å; D47-T49 PolarHBondContact OD1-N 3.41Å; D47-T49 PolarHBondContact OD1-OG1 3.11Å; D47-T49 PolarHBondContact OD2-OG1 3.41Å; T49-T51 PolarHBondContact O-N 2.86Å; T49-T51 VanDerWaalsContact O-N 3.16Å; T49-T54 WeakPolarHBondContact CA-OG1 3.46Å; T49-T54 HydrophobicContact CG2-CG2 4.44Å
50A93.5Very high96.3Very high83 Ų8360.2 Ų60.269%0.68633%0.332SS*.G310 helixtrans-69.1-4.8171.300000113D47 I48D47-A50 HydrophobicContact CB-CB 4.29Å; D47-A50 PolarHBondContact O-N 3.28Å; I48-A50 VanDerWaalsContact C-N 3.34Å
51T87.8Confident96.5Very high31 Ų3150.8 Ų50.819%0.1929%0.288CS..SBendtrans-113.8151.9176.378.40000110.7F5 I48 T49 H53 T54 I57F5-T51 HydrophobicContact CE1-CG2 4.41Å; F5-T51 HydrophobicContact CE2-CG2 4.04Å; F5-T51 HydrophobicContact CZ-CG2 3.96Å; I48-T51 PolarHBondContact O-OG1 3.47Å; I48-T51 VanDerWaalsContact O-OG1 3.05Å; T49-T51 PolarHBondContact O-N 2.86Å; T49-T51 VanDerWaalsContact O-N 3.16Å; T51-H53 PolarHBondContact O-N 3.36Å; T51-H53 VanDerWaalsContact O-N 3.13Å; T51-H53 PolarHBondContact OG1-N 3.47Å; T51-T54 PolarHBondContact O-OG1 3.07Å; T51-I57 HydrophobicContact CG2-CD1 4.13Å; T51-I57 WeakPolarHBondContact OG1-CD1 3.32Å
52N91.3Very high96.7Very high164 Ų16452.7 Ų52.788%0.87728%0.282SS*.THydrogen-bonded Turntrans-733.9171.8-66.2-21.7000113.4
53H94Very high96.7Very high83 Ų8357.5 Ų57.538%0.38430%0.303SS..THydrogen-bonded Turntrans-117.731.6-173.2-60.4-67.3000112.9T51 N55 E56 I57T51-H53 PolarHBondContact O-N 3.36Å; T51-H53 VanDerWaalsContact O-N 3.13Å; T51-H53 PolarHBondContact OG1-N 3.47Å; H53-N55 VanDerWaalsContact C-N 3.25Å; H53-N55 PolarHBondContact O-N 3.44Å; H53-E56 WeakPolarHBondContact CA-OE2 3.27Å; H53-E56 HydrophobicContact CB-CB 4.46Å; H53-E56 IonicContact CG-OE1 3.95Å; H53-E56 IonicContact ND1-OE1 3.05Å; H53-E56 PolarHBondContact ND1-OE1 3.21Å; H53-E56 IonicContact ND1-OE2 3.97Å; H53-E56 PolarHBondContact O-N 2.88Å; H53-I57 WeakPolarHBondContact O-CB 3.22Å; H53-I57 VanDerWaalsContact O-CG1 3.28Å; H53-I57 WeakPolarHBondContact O-CG1 3.27Å; H53-I57 PolarHBondContact O-N 3.39Å
54T96.1Very high96.7Very high30 Ų3059 Ų5918%0.18431%0.311CS..Hα-helixtrans-55.1-41.9-175.7-65.10000111.9I48 T49 T51 Q58I48-T54 HydrophobicContact CD1-CG2 4.21Å; I48-T54 HydrophobicContact CG1-CG2 4.19Å; I48-T54 PolarHBondContact O-OG1 3.29Å; I48-T54 VanDerWaalsContact O-OG1 3.04Å; T49-T54 WeakPolarHBondContact CA-OG1 3.46Å; T49-T54 HydrophobicContact CG2-CG2 4.44Å; T51-T54 PolarHBondContact O-OG1 3.07Å; T54-Q58 VanDerWaalsContact O-CG 3.31Å; T54-Q58 WeakPolarHBondContact O-CG 3.45Å; T54-Q58 PolarHBondContact O-N 3.44Å
55N97.6Very high96.7Very high96 Ų9658.3 Ų58.351%0.51331%0.31SS..Hα-helixtrans-67.6-46.8-178.6-78.6-41.1000111.5H53 I57 Q58 D59 R68H53-N55 VanDerWaalsContact C-N 3.25Å; H53-N55 PolarHBondContact O-N 3.44Å; N55-I57 VanDerWaalsContact C-N 3.3Å; N55-I57 PolarHBondContact O-N 2.86Å; N55-Q58 PolarHBondContact O-N 3.45Å; N55-Q58 VanDerWaalsContact O-N 3.12Å; N55-D59 PolarHBondContact O-N 2.65Å; N55-R68 PolarHBondContact OD1-NH2 3.28Å; N55-R68 VanDerWaalsContact OD1-NH2 3.14Å
56E98.2Very high96.7Very high90 Ų9058.3 Ų58.342%0.42133%0.327SS..Hα-helixtrans-64.4-36179.1-56.696.5131.500111.7A2 H53 D59 Y60A2-E56 HydrophobicContact CB-CB 3.73Å; H53-E56 WeakPolarHBondContact CA-OE2 3.27Å; H53-E56 HydrophobicContact CB-CB 4.46Å; H53-E56 IonicContact CG-OE1 3.95Å; H53-E56 IonicContact ND1-OE1 3.05Å; H53-E56 PolarHBondContact ND1-OE1 3.21Å; H53-E56 IonicContact ND1-OE2 3.97Å; H53-E56 PolarHBondContact O-N 2.88Å; E56-D59 PolarHBondContact O-N 2.85Å; E56-Y60 WeakPolarHBondContact O-CB 3.46Å; E56-Y60 PolarHBondContact O-N 2.81Å
57I98.4Very high96.6Very high1 Ų159.1 Ų59.11%0.00534%0.335CS..Hα-helixtrans-63.1-46.3172.4-70166.1000110.5A2 F5 V6 I48 T51 H53 N55 D59 Y60 L61A2-I57 HydrophobicContact CB-CG1 3.84Å; F5-I57 HydrophobicContact CD1-CD1 3.66Å; F5-I57 HydrophobicContact CD1-CG1 4.11Å; F5-I57 HydrophobicContact CE1-CD1 3.75Å; V6-I57 HydrophobicContact CG2-CG2 3.83Å; I48-I57 HydrophobicContact CB-CD1 4.39Å; I48-I57 HydrophobicContact CB-CG2 3.99Å; I48-I57 HydrophobicContact CD1-CG2 4.43Å; I48-I57 HydrophobicContact CG2-CG2 3.72Å; T51-I57 HydrophobicContact CG2-CD1 4.13Å; T51-I57 WeakPolarHBondContact OG1-CD1 3.32Å; H53-I57 WeakPolarHBondContact O-CB 3.22Å; H53-I57 VanDerWaalsContact O-CG1 3.28Å; H53-I57 WeakPolarHBondContact O-CG1 3.27Å; H53-I57 PolarHBondContact O-N 3.39Å; N55-I57 VanDerWaalsContact C-N 3.3Å; N55-I57 PolarHBondContact O-N 2.86Å; I57-D59 VanDerWaalsContact C-N 3.35Å; I57-Y60 PolarHBondContact O-N 3.45Å; I57-L61 HydrophobicContact CG2-CD1 3.99Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.41Å; I57-L61 VanDerWaalsContact O-CG 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 2.8Å
58Q98.3Very high96.6Very high14 Ų1460.7 Ų60.77%0.06534%0.337CS..Hα-helixtrans-64-40.5178.7-74.9-167.1-91.500112.3K20 I48 T54 N55 L61 Q62 R68K20-Q58 VanDerWaalsContact NZ-CD 3.34Å; I48-Q58 HydrophobicContact CD1-CG 3.59Å; T54-Q58 VanDerWaalsContact O-CG 3.31Å; T54-Q58 WeakPolarHBondContact O-CG 3.45Å; T54-Q58 PolarHBondContact O-N 3.44Å; N55-Q58 PolarHBondContact O-N 3.45Å; N55-Q58 VanDerWaalsContact O-N 3.12Å; Q58-L61 PolarHBondContact O-N 2.81Å; Q58-Q62 PolarHBondContact O-N 3Å; Q58-R68 HydrophobicContact CB-CG 3.75Å; Q58-R68 PolarHBondContact NE2-O 3.42Å
59D98.5Very high96.6Very high73 Ų7364.8 Ų64.839%0.3936%0.362SS..Hα-helixtrans-66.1-40.9178.3-63-12.8000110.7N55 E56 I57 Q62 Q63 R68N55-D59 PolarHBondContact O-N 2.65Å; E56-D59 PolarHBondContact O-N 2.85Å; I57-D59 VanDerWaalsContact C-N 3.35Å; D59-Q62 WeakPolarHBondContact O-CB 3.35Å; D59-Q62 PolarHBondContact O-N 3.03Å; D59-Q63 WeakPolarHBondContact O-CG 3.19Å; D59-Q63 PolarHBondContact O-N 2.9Å; D59-R68 IonicContact OD1-CZ 3.21Å; D59-R68 IonicContact OD1-NE 2.82Å; D59-R68 PolarHBondContact OD1-NE 3.38Å; D59-R68 IonicContact OD1-NH2 2.74Å; D59-R68 PolarHBondContact OD1-NH2 3.34Å
60Y98.3Very high96.7Very high33 Ų3362.7 Ų62.713%0.12935%0.349CS..Hα-helixtrans-67.3-39.8173.7-178-117.4000112.8Q3 V6 N7 E56 I57 Q62 Q63 L64Q3-Y60 HydrophobicContact CB-CD1 4.32Å; Q3-Y60 HydrophobicContact CB-CD2 4.33Å; Q3-Y60 HydrophobicContact CB-CE1 4.12Å; Q3-Y60 HydrophobicContact CB-CE2 4.1Å; Q3-Y60 HydrophobicContact CB-CG 4.41Å; Q3-Y60 HydrophobicContact CG-CD1 4.26Å; Q3-Y60 HydrophobicContact CG-CD2 3.56Å; Q3-Y60 HydrophobicContact CG-CE1 4.38Å; Q3-Y60 HydrophobicContact CG-CE2 3.68Å; Q3-Y60 HydrophobicContact CG-CG 3.85Å; V6-Y60 HydrophobicContact CB-CD1 3.69Å; V6-Y60 HydrophobicContact CB-CE1 3.73Å; V6-Y60 HydrophobicContact CG1-CD1 3.82Å; V6-Y60 HydrophobicContact CG1-CE1 3.67Å; V6-Y60 HydrophobicContact CG2-CD1 3.93Å; V6-Y60 HydrophobicContact CG2-CE1 4.47Å; N7-Y60 VanDerWaalsContact CG-OH 3.25Å; N7-Y60 PolarHBondContact ND2-OH 2.95Å; N7-Y60 WeakPolarHBondContact OD1-CE1 3.01Å; N7-Y60 PolarHBondContact OD1-OH 2.97Å; E56-Y60 WeakPolarHBondContact O-CB 3.46Å; E56-Y60 PolarHBondContact O-N 2.81Å; I57-Y60 PolarHBondContact O-N 3.45Å; Y60-Q62 PolarHBondContact O-N 3.16Å; Y60-Q63 PolarHBondContact O-N 3.09Å; Y60-Q63 VanDerWaalsContact O-N 3.16Å; Y60-L64 HydrophobicContact CE1-CD2 4.14Å; Y60-L64 WeakPolarHBondContact O-CB 3.46Å; Y60-L64 PolarHBondContact O-N 3.43Å
61L98.3Very high97Very high0 Ų058.9 Ų58.90%032%0.318CS..Hα-helixtrans-60.2-35.7172.4-75.1172.3000111.4V6 F18 I57 Q58 L64 T65 A67 R72 F74V6-L61 HydrophobicContact CG1-CD2 3.98Å; V6-L61 HydrophobicContact CG2-CD2 4.5Å; F18-L61 HydrophobicContact CB-CD1 4.02Å; F18-L61 HydrophobicContact CD2-CD2 3.85Å; F18-L61 HydrophobicContact CE2-CD2 4.09Å; F18-L61 HydrophobicContact CG-CD1 4.15Å; F18-L61 HydrophobicContact CG-CD2 4.27Å; I57-L61 HydrophobicContact CG2-CD1 3.99Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.41Å; I57-L61 VanDerWaalsContact O-CG 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 2.8Å; Q58-L61 PolarHBondContact O-N 2.81Å; L61-L64 PolarHBondContact O-N 3.12Å; L61-T65 VanDerWaalsContact O-CB 3.32Å; L61-T65 WeakPolarHBondContact O-CB 3.33Å; L61-T65 WeakPolarHBondContact O-CG2 3.35Å; L61-T65 PolarHBondContact O-N 2.88Å; L61-T65 PolarHBondContact O-OG1 3.22Å; L61-A67 CarbonylContact C-O 3.42Å; L61-R72 HydrophobicContact CB-CG 4.38Å; L61-R72 HydrophobicContact CD1-CG 4.17Å; L61-R72 HydrophobicContact CD2-CB 4.36Å; L61-R72 HydrophobicContact CD2-CG 4.3Å; L61-F74 HydrophobicContact CD2-CE2 4.2Å; L61-F74 HydrophobicContact CD2-CZ 4.45Å
62Q98.4Very high97.5Very high93 Ų9358.5 Ų58.544%0.43531%0.313SS..Hα-helixtrans-65.2-45173.2-178.6152.127.900112.2Q58 D59 Y60 L64 G66 A67 R68Q58-Q62 PolarHBondContact O-N 3Å; D59-Q62 WeakPolarHBondContact O-CB 3.35Å; D59-Q62 PolarHBondContact O-N 3.03Å; Y60-Q62 PolarHBondContact O-N 3.16Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.34Å; Q62-G66 CarbonylContact O-C 3.58Å; Q62-G66 WeakPolarHBondContact O-CA 3.36Å; Q62-G66 PolarHBondContact O-N 2.75Å; Q62-A67 WeakPolarHBondContact CA-O 3.44Å; Q62-A67 PolarHBondContact N-O 3.46Å; Q62-R68 HydrophobicContact CB-CB 4.03Å; Q62-R68 HydrophobicContact CB-CG 4.48Å
63Q98.2Very high97.8Very high146 Ų14650.7 Ų50.768%0.68227%0.271SS*.Hα-helixtrans-60.7-41175.6-68.8174.9-6.200112D59 Y60D59-Q63 WeakPolarHBondContact O-CG 3.19Å; D59-Q63 PolarHBondContact O-N 2.9Å; Y60-Q63 PolarHBondContact O-N 3.09Å; Y60-Q63 VanDerWaalsContact O-N 3.16Å
64L97.8Very high98.1Very high76 Ų7646.9 Ų46.940%0.39825%0.253SS..Hα-helixtrans-79.3-35.3-175.2-176.961.6000113.5V6 I10 Y60 L61 Q62 F74V6-L64 HydrophobicContact CG1-CD2 4.1Å; I10-L64 HydrophobicContact CD1-CD2 3.86Å; Y60-L64 HydrophobicContact CE1-CD2 4.14Å; Y60-L64 WeakPolarHBondContact O-CB 3.46Å; Y60-L64 PolarHBondContact O-N 3.43Å; L61-L64 PolarHBondContact O-N 3.12Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.34Å; L64-F74 HydrophobicContact CD2-CE1 4.18Å; L64-F74 HydrophobicContact CD2-CZ 3.92Å; L64-F74 HydrophobicContact CG-CZ 4.49Å
65T97.9Very high98.2Very high32 Ų3245.6 Ų45.620%0.19625%0.245CC..Hα-helixtrans-120.9-3.7-167.974.80000114.1L61 A67 R72 F74 C79L61-T65 VanDerWaalsContact O-CB 3.32Å; L61-T65 WeakPolarHBondContact O-CB 3.33Å; L61-T65 WeakPolarHBondContact O-CG2 3.35Å; L61-T65 PolarHBondContact O-N 2.88Å; L61-T65 PolarHBondContact O-OG1 3.22Å; T65-A67 PolarHBondContact O-N 3.16Å; T65-A67 PolarHBondContact OG1-N 3.41Å; T65-A67 PolarHBondContact OG1-O 3.27Å; T65-R72 WeakPolarHBondContact OG1-CD 3.45Å; T65-F74 HydrophobicContact CG2-CE1 4.25Å; T65-F74 HydrophobicContact CG2-CE2 4.11Å; T65-F74 HydrophobicContact CG2-CZ 3.44Å; T65-F74 VanDerWaalsContact CG2-CZ 3.44Å; T65-C79 HydrophobicContact CG2-CB 3.8Å; T65-C79 WeakPolarHBondContact CG2-SG 3.45Å
66G97.7Very high98.1Very high61 Ų6141.1 Ų41.163%0.62922%0.222SC*.SBendtrans79.6-4.9-173.900000114.6Q62Q62-G66 CarbonylContact O-C 3.58Å; Q62-G66 WeakPolarHBondContact O-CA 3.36Å; Q62-G66 PolarHBondContact O-N 2.75Å
67A97.8Very high98.1Very high24 Ų2443.9 Ų43.920%0.19823%0.232CC..  trans-139.6138.9-177.900000113.8L61 Q62 T65L61-A67 CarbonylContact C-O 3.42Å; Q62-A67 WeakPolarHBondContact CA-O 3.44Å; Q62-A67 PolarHBondContact N-O 3.46Å; T65-A67 PolarHBondContact O-N 3.16Å; T65-A67 PolarHBondContact OG1-N 3.41Å; T65-A67 PolarHBondContact OG1-O 3.27Å
68R97.6Very high98Very high82 Ų8248 Ų4831%0.30925%0.254SS..  trans-83.4-18.4-178.9-161.9169.7-178.8-88.5-7.5114.4N55 Q58 D59 Q62N55-R68 PolarHBondContact OD1-NH2 3.28Å; N55-R68 VanDerWaalsContact OD1-NH2 3.14Å; Q58-R68 HydrophobicContact CB-CG 3.75Å; Q58-R68 PolarHBondContact NE2-O 3.42Å; D59-R68 IonicContact OD1-CZ 3.21Å; D59-R68 IonicContact OD1-NE 2.82Å; D59-R68 PolarHBondContact OD1-NE 3.38Å; D59-R68 IonicContact OD1-NH2 2.74Å; D59-R68 PolarHBondContact OD1-NH2 3.34Å; Q62-R68 HydrophobicContact CB-CB 4.03Å; Q62-R68 HydrophobicContact CB-CG 4.48Å
69T97.6Very high98Very high86 Ų8649.4 Ų49.453%0.52827%0.265SS..SBendtrans-89.4144.8-165.752.80000112.2R72T69-R72 PolarHBondContact O-NE 2.67Å
70V98.1Very high97.9Very high18 Ų1847 Ų4711%0.10925%0.252CS..SBendtrans-87.2153.2169.5-65.40000110.7K20 C23 I48K20-V70 HydrophobicContact CB-CG2 3.99Å; K20-V70 HydrophobicContact CD-CG2 3.93Å; K20-V70 HydrophobicContact CG-CG1 4.29Å; K20-V70 HydrophobicContact CG-CG2 3.66Å; C23-V70 HydrophobicContact CB-CG2 4.23Å; I48-V70 HydrophobicContact CD1-CG1 3.7Å; I48-V70 HydrophobicContact CG1-CG1 4.48Å
71P98.6Very high97.9Very high4 Ų445.9 Ų45.93%0.02625%0.251CS..PPolyproline II helixcis-70.8151.6-4.730-34.4000112V17 F18 A29 G82 C83V17-P71 HydrophobicContact CG1-CB 3.83Å; F18-P71 VanDerWaalsContact O-CA 3.27Å; F18-P71 WeakPolarHBondContact O-CA 3.46Å; A29-P71 HydrophobicContact CB-CB 4.35Å; A29-P71 HydrophobicContact CB-CG 4.14Å; P71-G82 WeakPolarHBondContact O-CA 3.3Å; P71-C83 HydrophobicContact CG-CB 3.84Å
72R98.7Very high97.9Very high22 Ų2246 Ų468%0.08325%0.252CS..EExtended strand (participates in β ladder)trans-115.9119160.7-69.9-61.690-172.83.9108.1V17 F18 L61 T65 T69 F74 G81V17-R72 WeakPolarHBondContact CA-O 3.33Å; F18-R72 HydrophobicContact CB-CB 4.4Å; F18-R72 HydrophobicContact CD2-CB 4.43Å; F18-R72 PolarHBondContact N-O 2.88Å; F18-R72 PolarHBondContact O-N 3.14Å; F18-R72 VanDerWaalsContact O-N 3.16Å; L61-R72 HydrophobicContact CB-CG 4.38Å; L61-R72 HydrophobicContact CD1-CG 4.17Å; L61-R72 HydrophobicContact CD2-CB 4.36Å; L61-R72 HydrophobicContact CD2-CG 4.3Å; T65-R72 WeakPolarHBondContact OG1-CD 3.45Å; T69-R72 PolarHBondContact O-NE 2.67Å; R72-F74 HydrophobicContact CB-CE2 4.2Å; R72-G81 WeakPolarHBondContact CA-O 3.39Å
73V98.6Very high97.9Very high0 Ų042 Ų420%023%0.234CC..EExtended strand (participates in β ladder)trans-105129.3-174.8-176.90000109.5V17 C79 I80 G81 L86V17-V73 HydrophobicContact CG1-CG2 3.91Å; V17-V73 HydrophobicContact CG2-CG1 4.2Å; V17-V73 HydrophobicContact CG2-CG2 4.23Å; V73-C79 WeakPolarHBondContact O-CA 3.39Å; V73-C79 PolarHBondContact O-SG 3.35Å; V73-I80 HydrophobicContact CB-CD1 3.98Å; V73-I80 HydrophobicContact CB-CG1 3.64Å; V73-I80 HydrophobicContact CG1-CD1 3.66Å; V73-I80 HydrophobicContact CG1-CG1 3.7Å; V73-I80 PolarHBondContact O-N 3.23Å; V73-G81 PolarHBondContact N-O 3.34Å; V73-L86 HydrophobicContact CG2-CD2 4.3Å
74F98.7Very high97.9Very high4 Ų439 Ų392%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-117.6135.2173.8-70.3-100000109.9I10 V15 V16 F18 L61 L64 T65 R72 D78 C79I10-F74 HydrophobicContact CD1-CD1 3.85Å; I10-F74 HydrophobicContact CD1-CD2 4.39Å; I10-F74 HydrophobicContact CD1-CE1 3.51Å; I10-F74 HydrophobicContact CD1-CE2 4.1Å; I10-F74 HydrophobicContact CD1-CG 4.27Å; I10-F74 HydrophobicContact CD1-CZ 3.64Å; I10-F74 HydrophobicContact CG1-CD1 4.05Å; I10-F74 HydrophobicContact CG1-CD2 4.36Å; I10-F74 HydrophobicContact CG1-CE1 4.22Å; I10-F74 HydrophobicContact CG1-CG 4.11Å; I10-F74 HydrophobicContact CG1-CZ 4.46Å; I10-F74 HydrophobicContact CG2-CD1 4.1Å; V15-F74 VanDerWaalsContact CA-O 3.32Å; V15-F74 WeakPolarHBondContact CA-O 3.44Å; V16-F74 HydrophobicContact CB-CB 4.37Å; V16-F74 PolarHBondContact N-O 3.16Å; V16-F74 PolarHBondContact O-N 2.89Å; F18-F74 AromaticContact CD2-CD2 3.99Å; F18-F74 HydrophobicContact CD2-CD2 3.99Å; F18-F74 AromaticContact CD2-CE2 3.8Å; F18-F74 HydrophobicContact CD2-CE2 3.8Å; F18-F74 AromaticContact CE2-CD2 3.84Å; F18-F74 HydrophobicContact CE2-CD2 3.84Å; F18-F74 AromaticContact CE2-CE2 3.67Å; F18-F74 HydrophobicContact CE2-CE2 3.67Å; L61-F74 HydrophobicContact CD2-CE2 4.2Å; L61-F74 HydrophobicContact CD2-CZ 4.45Å; L64-F74 HydrophobicContact CD2-CE1 4.18Å; L64-F74 HydrophobicContact CD2-CZ 3.92Å; L64-F74 HydrophobicContact CG-CZ 4.49Å; T65-F74 HydrophobicContact CG2-CE1 4.25Å; T65-F74 HydrophobicContact CG2-CE2 4.11Å; T65-F74 HydrophobicContact CG2-CZ 3.44Å; T65-F74 VanDerWaalsContact CG2-CZ 3.44Å; R72-F74 HydrophobicContact CB-CE2 4.2Å; F74-D78 CarbonylContact C-O 3.59Å; F74-D78 VanDerWaalsContact CA-O 3.25Å; F74-D78 WeakPolarHBondContact CA-O 3.42Å; F74-C79 HydrophobicContact CD1-CB 3.86Å; F74-C79 HydrophobicContact CE1-CB 3.52Å; F74-C79 HydrophobicContact CE2-CB 4.42Å; F74-C79 HydrophobicContact CG-CB 4.46Å; F74-C79 HydrophobicContact CZ-CB 3.83Å
75I98.1Very high97.9Very high2 Ų239.1 Ų39.11%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-117.3109.1168.9-58.3178.8000106.3K77 D78 I80 M89 L95 R98 L99 I102I75-K77 PolarHBondContact O-N 2.96Å; I75-D78 PolarHBondContact N-O 2.78Å; I75-D78 PolarHBondContact O-N 2.74Å; I75-I80 HydrophobicContact CD1-CD1 4.28Å; I75-I80 HydrophobicContact CD1-CG2 4.05Å; I75-I80 HydrophobicContact CG1-CG2 4.19Å; I75-M89 HydrophobicContact CD1-SD 4.15Å; I75-L95 HydrophobicContact CD1-CD1 3.49Å; I75-L95 VanDerWaalsContact CD1-CD1 3.49Å; I75-R98 HydrophobicContact CD1-CB 4.18Å; I75-R98 HydrophobicContact CG2-CB 4.15Å; I75-L99 HydrophobicContact CG2-CD2 4.26Å; I75-I102 HydrophobicContact CG2-CD1 3.61Å; I75-I102 HydrophobicContact CG2-CG1 4.17Å; I75-I102 HydrophobicContact CG2-CG2 4.4Å
76G96.9Very high98Very high2 Ų237.6 Ų37.62%0.02122%0.221CC..THydrogen-bonded Turntrans65.6-122.7-166.600000110.8I10 Q11 P12 K14I10-G76 WeakPolarHBondContact CG2-O 3.38Å; Q11-G76 CarbonylContact O-C 3.42Å; Q11-G76 VanDerWaalsContact O-CA 3.27Å; Q11-G76 WeakPolarHBondContact O-CA 3.49Å; P12-G76 WeakPolarHBondContact O-CA 3.42Å; K14-G76 WeakPolarHBondContact O-CA 3.48Å; K14-G76 PolarHBondContact O-N 3.03Å
77K96.8Very high98Very high148 Ų14835.4 Ų35.464%0.64320%0.195SC*.THydrogen-bonded Turntrans-96.1-7.8175.2-69.6-171.8169.8-178.80113.8I10 P12 I75I10-K77 HydrophobicContact CG2-CB 4.44Å; I10-K77 HydrophobicContact CG2-CG 4.3Å; P12-K77 HydrophobicContact CG-CD 4.29Å; P12-K77 HydrophobicContact CG-CG 4.21Å; I75-K77 PolarHBondContact O-N 2.96Å
78D97.6Very high98Very high87 Ų8737.5 Ų37.547%0.46521%0.208SC..EExtended strand (participates in β ladder)trans-88.8126.6-175.3-60.1-25.4000110.2F74 I75 R98F74-D78 CarbonylContact C-O 3.59Å; F74-D78 VanDerWaalsContact CA-O 3.25Å; F74-D78 WeakPolarHBondContact CA-O 3.42Å; I75-D78 PolarHBondContact N-O 2.78Å; I75-D78 PolarHBondContact O-N 2.74Å; D78-R98 IonicContact OD2-CZ 3.45Å; D78-R98 IonicContact OD2-NH2 3.01Å; D78-R98 PolarHBondContact OD2-NH2 3.29Å
79C98.1Very high98Very high44 Ų4434.5 Ų34.530%0.29720%0.198SC..EExtended strand (participates in β ladder)trans-79.2124.1166.5-169.20000109.2T65 V73 F74 G81T65-C79 HydrophobicContact CG2-CB 3.8Å; T65-C79 WeakPolarHBondContact CG2-SG 3.45Å; V73-C79 WeakPolarHBondContact O-CA 3.39Å; V73-C79 PolarHBondContact O-SG 3.35Å; F74-C79 HydrophobicContact CD1-CB 3.86Å; F74-C79 HydrophobicContact CE1-CB 3.52Å; F74-C79 HydrophobicContact CE2-CB 4.42Å; F74-C79 HydrophobicContact CG-CB 4.46Å; F74-C79 HydrophobicContact CZ-CB 3.83Å; C79-G81 PolarHBondContact SG-N 2.94Å
80I97.3Very high98Very high22 Ų2234 Ų3411%0.11319%0.19CC..EExtended strand (participates in β ladder)trans-91.7-8.7175.168.2158.8000112.4V73 I75 D85 L86 M89V73-I80 HydrophobicContact CB-CD1 3.98Å; V73-I80 HydrophobicContact CB-CG1 3.64Å; V73-I80 HydrophobicContact CG1-CD1 3.66Å; V73-I80 HydrophobicContact CG1-CG1 3.7Å; V73-I80 PolarHBondContact O-N 3.23Å; I75-I80 HydrophobicContact CD1-CD1 4.28Å; I75-I80 HydrophobicContact CD1-CG2 4.05Å; I75-I80 HydrophobicContact CG1-CG2 4.19Å; I80-D85 WeakPolarHBondContact O-CB 3.26Å; I80-L86 HydrophobicContact CD1-CB 4.14Å; I80-L86 HydrophobicContact CD1-CD1 3.94Å; I80-M89 HydrophobicContact CB-CE 3.81Å; I80-M89 HydrophobicContact CB-SD 4.43Å; I80-M89 HydrophobicContact CD1-CE 4.34Å; I80-M89 HydrophobicContact CD1-SD 3.98Å; I80-M89 HydrophobicContact CG2-CE 3.64Å; I80-M89 HydrophobicContact CG2-SD 4.08Å
81G97.8Very high98Very high10 Ų1040.1 Ų40.110%0.10322%0.217CC..EExtended strand (participates in β ladder)trans110-138.2-177.700000113.3R72 V73 C79 D85R72-G81 WeakPolarHBondContact CA-O 3.39Å; V73-G81 PolarHBondContact N-O 3.34Å; C79-G81 PolarHBondContact SG-N 2.94Å; G81-D85 WeakPolarHBondContact CA-OD2 3.42Å
82G98.2Very high97.9Very high2 Ų243.8 Ų43.82%0.02124%0.243CC..SBendtrans-110.2-156.9-175.800000114.3P71 S84 D85 L86P71-G82 WeakPolarHBondContact O-CA 3.3Å; G82-S84 PolarHBondContact O-N 2.85Å; G82-D85 PolarHBondContact N-OD2 3.39Å; G82-D85 PolarHBondContact O-N 3.28Å; G82-L86 WeakPolarHBondContact O-CB 3.36Å; G82-L86 PolarHBondContact O-N 3.29Å
83C98.1Very high97.8Very high9 Ų944.2 Ų44.26%0.06125%0.254CS..Hα-helixtrans-65.1-39.2-176.6-173.80000112.6Y25 P71 L86 V87Y25-C83 HydrophobicContact CD1-CB 4.33Å; P71-C83 HydrophobicContact CG-CB 3.84Å; C83-L86 PolarHBondContact O-N 3.37Å; C83-V87 VanDerWaalsContact O-CG2 3.26Å; C83-V87 WeakPolarHBondContact O-CG2 3.31Å; C83-V87 PolarHBondContact O-N 2.86Å
84S98.2Very high97.8Very high84 Ų8448.2 Ų48.259%0.58727%0.273SS*.Hα-helixtrans-65.7-40.8179.5-55.10000111.8G82 V87 S88G82-S84 PolarHBondContact O-N 2.85Å; S84-V87 PolarHBondContact O-N 3.39Å; S84-S88 WeakPolarHBondContact O-CB 3.28Å; S84-S88 PolarHBondContact O-N 2.95Å; S84-S88 PolarHBondContact O-OG 3.49Å
85D98.4Very high97.7Very high78 Ų7848.1 Ų48.142%0.41727%0.273SS..Hα-helixtrans-65.8-44.1177.4-49.4-65.3000110.6I80 G81 G82 V87 S88 M89I80-D85 WeakPolarHBondContact O-CB 3.26Å; G81-D85 WeakPolarHBondContact CA-OD2 3.42Å; G82-D85 PolarHBondContact N-OD2 3.39Å; G82-D85 PolarHBondContact O-N 3.28Å; D85-V87 PolarHBondContact O-N 3.44Å; D85-S88 PolarHBondContact O-N 3.18Å; D85-M89 VanDerWaalsContact O-CB 3.28Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 3.29Å
86L98.3Very high97.6Very high0 Ų051.4 Ų51.40%029%0.29CS..Hα-helixtrans-58.9-44.6174.217764.1000112.3A29 I32 L33 V73 I80 G82 C83 M89 Q90 L95A29-L86 HydrophobicContact CB-CD2 3.73Å; I32-L86 HydrophobicContact CB-CD2 4.28Å; I32-L86 HydrophobicContact CD1-CD2 4.37Å; I32-L86 HydrophobicContact CD1-CG 4.49Å; I32-L86 HydrophobicContact CG2-CD1 4.25Å; I32-L86 HydrophobicContact CG2-CD2 3.98Å; I32-L86 HydrophobicContact CG2-CG 4.02Å; L33-L86 HydrophobicContact CD1-CD2 4.21Å; L33-L86 HydrophobicContact CD2-CD1 4.01Å; L33-L86 HydrophobicContact CG-CD1 4.46Å; L33-L86 HydrophobicContact CG-CD2 4.1Å; V73-L86 HydrophobicContact CG2-CD2 4.3Å; I80-L86 HydrophobicContact CD1-CB 4.14Å; I80-L86 HydrophobicContact CD1-CD1 3.94Å; G82-L86 WeakPolarHBondContact O-CB 3.36Å; G82-L86 PolarHBondContact O-N 3.29Å; C83-L86 PolarHBondContact O-N 3.37Å; L86-M89 PolarHBondContact O-N 3.06Å; L86-Q90 WeakPolarHBondContact O-CB 3.48Å; L86-Q90 PolarHBondContact O-N 2.95Å; L86-L95 HydrophobicContact CD1-CD1 4.04Å; L86-L95 HydrophobicContact CD1-CD2 3.72Å
87V98.2Very high97.6Very high15 Ų1554.8 Ų54.89%0.09131%0.31CS..Hα-helixtrans-62.3-45.6177.2168.50000110.8I32 C83 S84 D85 M89 Q90 Q91I32-V87 HydrophobicContact CD1-CG2 3.58Å; C83-V87 VanDerWaalsContact O-CG2 3.26Å; C83-V87 WeakPolarHBondContact O-CG2 3.31Å; C83-V87 PolarHBondContact O-N 2.86Å; S84-V87 PolarHBondContact O-N 3.39Å; D85-V87 PolarHBondContact O-N 3.44Å; V87-M89 VanDerWaalsContact C-N 3.35Å; V87-M89 PolarHBondContact O-N 3.15Å; V87-Q90 PolarHBondContact O-N 2.81Å; V87-Q91 HydrophobicContact CG1-CG 4.48Å; V87-Q91 VanDerWaalsContact O-CG 3.29Å; V87-Q91 WeakPolarHBondContact O-CG 3.48Å; V87-Q91 PolarHBondContact O-N 3.21Å
88S98.3Very high97.6Very high68 Ų6850.2 Ų50.248%0.47629%0.289SS..Hα-helixtrans-64.1-41.1179.9-54.30000111.5S84 D85 Q91 S92S84-S88 WeakPolarHBondContact O-CB 3.28Å; S84-S88 PolarHBondContact O-N 2.95Å; S84-S88 PolarHBondContact O-OG 3.49Å; D85-S88 PolarHBondContact O-N 3.18Å; S88-Q91 PolarHBondContact O-N 2.89Å; S88-S92 PolarHBondContact O-N 3.38Å; S88-S92 PolarHBondContact O-OG 3.09Å; S88-S92 VanDerWaalsContact O-OG 3.14Å
89M97.9Very high97.6Very high19 Ų1946 Ų469%0.09427%0.267CS..Hα-helixtrans-68.4-35176.9-167.9-178.7-7900112.5I75 I80 D85 L86 V87 S92 G93 E94 L95 R98I75-M89 HydrophobicContact CD1-SD 4.15Å; I80-M89 HydrophobicContact CB-CE 3.81Å; I80-M89 HydrophobicContact CB-SD 4.43Å; I80-M89 HydrophobicContact CD1-CE 4.34Å; I80-M89 HydrophobicContact CD1-SD 3.98Å; I80-M89 HydrophobicContact CG2-CE 3.64Å; I80-M89 HydrophobicContact CG2-SD 4.08Å; D85-M89 VanDerWaalsContact O-CB 3.28Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 3.29Å; L86-M89 PolarHBondContact O-N 3.06Å; V87-M89 VanDerWaalsContact C-N 3.35Å; V87-M89 PolarHBondContact O-N 3.15Å; M89-S92 WeakPolarHBondContact CA-OG 3.46Å; M89-S92 PolarHBondContact O-OG 3.49Å; M89-S92 VanDerWaalsContact O-OG 3.08Å; M89-G93 PolarHBondContact O-N 2.72Å; M89-E94 HydrophobicContact CE-CG 4.5Å; M89-E94 HydrophobicContact CG-CB 3.74Å; M89-E94 HydrophobicContact CG-CG 3.92Å; M89-E94 PolarHBondContact O-N 3.21Å; M89-E94 HydrophobicContact SD-CG 4.39Å; M89-L95 HydrophobicContact CB-CB 4.48Å; M89-L95 HydrophobicContact CG-CB 3.95Å; M89-L95 PolarHBondContact O-N 3.38Å; M89-L95 HydrophobicContact SD-CB 4.44Å; M89-L95 HydrophobicContact SD-CD1 4.29Å; M89-R98 HydrophobicContact SD-CG 4.41Å
90Q97.3Very high97.5Very high75 Ų7550.7 Ų50.735%0.3528%0.282SS..Hα-helixtrans-65.4-46.9171.9-176.9-171.3-110.600110.9I32 L86 V87 S92 G93 L95I32-Q90 VanDerWaalsContact CG2-OE1 3.22Å; L86-Q90 WeakPolarHBondContact O-CB 3.48Å; L86-Q90 PolarHBondContact O-N 2.95Å; V87-Q90 PolarHBondContact O-N 2.81Å; Q90-S92 VanDerWaalsContact C-N 3.33Å; Q90-S92 PolarHBondContact O-N 2.87Å; Q90-G93 PolarHBondContact O-N 3.28Å; Q90-G93 VanDerWaalsContact O-N 3.12Å; Q90-L95 HydrophobicContact CB-CD2 3.92Å; Q90-L95 HydrophobicContact CG-CD2 4.33Å
91Q97.2Very high97.4Very high147 Ų14756.2 Ų56.269%0.68731%0.307SS*.Hα-helixtrans-64.4-36-177.8-74.6172.7-13.400112.9V87 S88 G93V87-Q91 HydrophobicContact CG1-CG 4.48Å; V87-Q91 VanDerWaalsContact O-CG 3.29Å; V87-Q91 WeakPolarHBondContact O-CG 3.48Å; V87-Q91 PolarHBondContact O-N 3.21Å; S88-Q91 PolarHBondContact O-N 2.89Å; Q91-G93 VanDerWaalsContact C-N 3.26Å; Q91-G93 PolarHBondContact O-N 3.12Å
92S97.7Very high97.4Very high81 Ų8157.9 Ų57.957%0.56631%0.313SS*.THydrogen-bonded Turntrans-76.4-11175.859.90000113.9S88 M89 Q90 E94S88-S92 PolarHBondContact O-N 3.38Å; S88-S92 PolarHBondContact O-OG 3.09Å; S88-S92 VanDerWaalsContact O-OG 3.14Å; M89-S92 WeakPolarHBondContact CA-OG 3.46Å; M89-S92 PolarHBondContact O-OG 3.49Å; M89-S92 VanDerWaalsContact O-OG 3.08Å; Q90-S92 VanDerWaalsContact C-N 3.33Å; Q90-S92 PolarHBondContact O-N 2.87Å; S92-E94 PolarHBondContact O-N 2.9Å; S92-E94 PolarHBondContact OG-N 3.39Å
93G96.5Very high97.2Very high31 Ų3159.5 Ų59.532%0.3233%0.33SS..SBendtrans77.5-3.9-173.400000114.4M89 Q90 Q91 L95 L96 T97M89-G93 PolarHBondContact O-N 2.72Å; Q90-G93 PolarHBondContact O-N 3.28Å; Q90-G93 VanDerWaalsContact O-N 3.12Å; Q91-G93 VanDerWaalsContact C-N 3.26Å; Q91-G93 PolarHBondContact O-N 3.12Å; G93-L95 PolarHBondContact O-N 3.39Å; G93-L96 PolarHBondContact O-N 3.01Å; G93-T97 PolarHBondContact O-N 2.93Å
94E97.3Very high97.1Very high84 Ų8459.1 Ų59.139%0.39333%0.327SS..Hα-helixtrans-59.7-33.1177.4-179.9-177.1170.300111.6M89 S92 L96 T97 R98M89-E94 HydrophobicContact CE-CG 4.5Å; M89-E94 HydrophobicContact CG-CB 3.74Å; M89-E94 HydrophobicContact CG-CG 3.92Å; M89-E94 PolarHBondContact O-N 3.21Å; M89-E94 HydrophobicContact SD-CG 4.39Å; S92-E94 PolarHBondContact O-N 2.9Å; S92-E94 PolarHBondContact OG-N 3.39Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 2.86Å; E94-T97 WeakPolarHBondContact O-CA 3.35Å; E94-T97 WeakPolarHBondContact O-CB 3.42Å; E94-T97 PolarHBondContact O-N 2.82Å; E94-R98 HydrophobicContact CG-CG 3.98Å; E94-R98 WeakPolarHBondContact O-CG 3.5Å; E94-R98 PolarHBondContact O-N 3.14Å; E94-R98 IonicContact OE1-NH1 2.78Å; E94-R98 PolarHBondContact OE1-NH1 3.44Å
95L97.3Very high96.8Very high2 Ų256.2 Ų56.21%0.0131%0.305CS..Hα-helixtrans-57.6-47.5-178.2179.656.1000111.5I32 L36 I75 L86 M89 Q90 G93 T97 R98 L99I32-L95 HydrophobicContact CG2-CD2 4.34Å; L36-L95 HydrophobicContact CD1-CD2 3.62Å; L36-L95 HydrophobicContact CD1-CG 4.05Å; I75-L95 HydrophobicContact CD1-CD1 3.49Å; I75-L95 VanDerWaalsContact CD1-CD1 3.49Å; L86-L95 HydrophobicContact CD1-CD1 4.04Å; L86-L95 HydrophobicContact CD1-CD2 3.72Å; M89-L95 HydrophobicContact CB-CB 4.48Å; M89-L95 HydrophobicContact CG-CB 3.95Å; M89-L95 PolarHBondContact O-N 3.38Å; M89-L95 HydrophobicContact SD-CB 4.44Å; M89-L95 HydrophobicContact SD-CD1 4.29Å; Q90-L95 HydrophobicContact CB-CD2 3.92Å; Q90-L95 HydrophobicContact CG-CD2 4.33Å; G93-L95 PolarHBondContact O-N 3.39Å; L95-T97 VanDerWaalsContact C-N 3.31Å; L95-T97 PolarHBondContact O-N 3.28Å; L95-R98 PolarHBondContact O-N 2.74Å; L95-L99 HydrophobicContact CD1-CD1 4.13Å; L95-L99 HydrophobicContact CD1-CG 4.27Å; L95-L99 HydrophobicContact CG-CD1 4.11Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.39Å; L95-L99 PolarHBondContact O-N 3.43Å
96L96.7Very high96.1Very high72 Ų7262.2 Ų62.238%0.37733%0.331SS..Hα-helixtrans-64.2-38.4177.3-73.3174.9000111.6L36 G93 E94 L99 K100 L105L36-L96 HydrophobicContact CD2-CD2 4.1Å; G93-L96 PolarHBondContact O-N 3.01Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 2.86Å; L96-L99 PolarHBondContact O-N 3.41Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.47Å; L96-K100 PolarHBondContact O-N 2.7Å; L96-L105 HydrophobicContact CD2-CD1 4.08Å
97T96.8Very high96Very high72 Ų7265.4 Ų65.444%0.44235%0.347SS..Hα-helixtrans-60.9-47.4176.1-61.30000111.3G93 E94 L95 L99 K100 Q101G93-T97 PolarHBondContact O-N 2.93Å; E94-T97 WeakPolarHBondContact O-CA 3.35Å; E94-T97 WeakPolarHBondContact O-CB 3.42Å; E94-T97 PolarHBondContact O-N 2.82Å; L95-T97 VanDerWaalsContact C-N 3.31Å; L95-T97 PolarHBondContact O-N 3.28Å; T97-L99 PolarHBondContact O-N 3.34Å; T97-K100 PolarHBondContact O-N 3.28Å; T97-Q101 WeakPolarHBondContact O-CG 3.11Å; T97-Q101 PolarHBondContact O-N 3.29Å
98R97.1Very high95.9Very high52 Ų5268 Ų6820%0.19636%0.361CS..Hα-helixtrans-63.4-43178.4-63.1-69.2-78.1-90.86.5111.6I75 D78 M89 E94 L95 K100 Q101 I102I75-R98 HydrophobicContact CD1-CB 4.18Å; I75-R98 HydrophobicContact CG2-CB 4.15Å; D78-R98 IonicContact OD2-CZ 3.45Å; D78-R98 IonicContact OD2-NH2 3.01Å; D78-R98 PolarHBondContact OD2-NH2 3.29Å; M89-R98 HydrophobicContact SD-CG 4.41Å; E94-R98 HydrophobicContact CG-CG 3.98Å; E94-R98 WeakPolarHBondContact O-CG 3.5Å; E94-R98 PolarHBondContact O-N 3.14Å; E94-R98 IonicContact OE1-NH1 2.78Å; E94-R98 PolarHBondContact OE1-NH1 3.44Å; L95-R98 PolarHBondContact O-N 2.74Å; R98-K100 VanDerWaalsContact C-N 3.33Å; R98-K100 PolarHBondContact O-N 2.8Å; R98-Q101 WeakPolarHBondContact O-CB 3.39Å; R98-Q101 PolarHBondContact O-N 2.65Å; R98-I102 PolarHBondContact O-N 3.16Å; R98-I102 VanDerWaalsContact O-N 3.16Å
99L97.3Very high95.7Very high0 Ų068 Ų680%035%0.354CS..Hα-helixtrans-63.9-36.5177.2-65.9173000112.7V15 L36 I38 I75 L95 L96 T97 I102 G103 A104 L105V15-L99 HydrophobicContact CG2-CD2 3.28Å; L36-L99 HydrophobicContact CD1-CD1 3.67Å; I38-L99 HydrophobicContact CD1-CD1 4.21Å; I38-L99 HydrophobicContact CD1-CD2 4.32Å; I38-L99 HydrophobicContact CG1-CD1 4.2Å; I75-L99 HydrophobicContact CG2-CD2 4.26Å; L95-L99 HydrophobicContact CD1-CD1 4.13Å; L95-L99 HydrophobicContact CD1-CG 4.27Å; L95-L99 HydrophobicContact CG-CD1 4.11Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.39Å; L95-L99 PolarHBondContact O-N 3.43Å; L96-L99 PolarHBondContact O-N 3.41Å; T97-L99 PolarHBondContact O-N 3.34Å; L99-I102 WeakPolarHBondContact O-CG1 3.1Å; L99-G103 PolarHBondContact O-N 3.05Å; L99-A104 HydrophobicContact CD2-CB 4.3Å; L99-A104 PolarHBondContact O-N 3.16Å; L99-L105 HydrophobicContact CB-CD1 4.32Å; L99-L105 HydrophobicContact CB-CD2 3.56Å; L99-L105 HydrophobicContact CB-CG 3.73Å; L99-L105 HydrophobicContact CD1-CD2 3.83Å; L99-L105 HydrophobicContact CG-CD2 4.3Å
100K96.3Very high95.6Very high142 Ų14270.9 Ų70.962%0.61737%0.37SS*.Hα-helixtrans-64.7-44.7172.2-73.8176.3-175.2-179.80111.8L96 T97 R98 I102 G103 L105L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.47Å; L96-K100 PolarHBondContact O-N 2.7Å; T97-K100 PolarHBondContact O-N 3.28Å; R98-K100 VanDerWaalsContact C-N 3.33Å; R98-K100 PolarHBondContact O-N 2.8Å; K100-I102 VanDerWaalsContact C-N 3.28Å; K100-I102 PolarHBondContact O-N 3.05Å; K100-G103 PolarHBondContact O-N 3.25Å; K100-L105 HydrophobicContact CD-CD1 4.33Å; K100-L105 HydrophobicContact CG-CD1 3.47Å; K100-L105 VanDerWaalsContact CG-CD1 3.47Å; K100-L105 HydrophobicContact CG-CG 4.24Å
101Q95.7Very high95.5Very high137 Ų13770.6 Ų70.664%0.6437%0.371SS*.Hα-helixtrans-59.7-37.7-179.2-74.6170.2-1500112.6T97 R98 G103T97-Q101 WeakPolarHBondContact O-CG 3.11Å; T97-Q101 PolarHBondContact O-N 3.29Å; R98-Q101 WeakPolarHBondContact O-CB 3.39Å; R98-Q101 PolarHBondContact O-N 2.65Å; Q101-G103 VanDerWaalsContact C-N 3.28Å; Q101-G103 PolarHBondContact O-N 3.44Å
102I95.8Very high95.4Very high46 Ų4665.5 Ų65.524%0.23635%0.35CS..THydrogen-bonded Turntrans-86.54.8176.568158.4000113.5V15 I75 R98 L99 K100 A104V15-I102 HydrophobicContact CG2-CD1 4.37Å; I75-I102 HydrophobicContact CG2-CD1 3.61Å; I75-I102 HydrophobicContact CG2-CG1 4.17Å; I75-I102 HydrophobicContact CG2-CG2 4.4Å; R98-I102 PolarHBondContact O-N 3.16Å; R98-I102 VanDerWaalsContact O-N 3.16Å; L99-I102 WeakPolarHBondContact O-CG1 3.1Å; K100-I102 VanDerWaalsContact C-N 3.28Å; K100-I102 PolarHBondContact O-N 3.05Å; I102-A104 HydrophobicContact CD1-CB 3.62Å; I102-A104 HydrophobicContact CG1-CB 3.65Å; I102-A104 PolarHBondContact O-N 3.13Å
103G95.1Very high95.2Very high36 Ų3664.4 Ų64.437%0.37133%0.334SS..THydrogen-bonded Turntrans67.319.7179.900000114.6K39 L99 K100 Q101K39-G103 PolarHBondContact NZ-O 3.04Å; L99-G103 PolarHBondContact O-N 3.05Å; K100-G103 PolarHBondContact O-N 3.25Å; Q101-G103 VanDerWaalsContact C-N 3.28Å; Q101-G103 PolarHBondContact O-N 3.44Å
104A94.9Very high95.1Very high0 Ų067 Ų670%034%0.335CS..  trans-82.7-18-172.400000114.1I38 K39 L42 L99 I102I38-A104 CarbonylContact C-O 3.56Å; I38-A104 WeakPolarHBondContact CA-O 3.18Å; I38-A104 HydrophobicContact CG2-CB 4.46Å; K39-A104 PolarHBondContact N-O 3.21Å; L42-A104 HydrophobicContact CD1-CB 4.19Å; L99-A104 HydrophobicContact CD2-CB 4.3Å; L99-A104 PolarHBondContact O-N 3.16Å; I102-A104 HydrophobicContact CD1-CB 3.62Å; I102-A104 HydrophobicContact CG1-CB 3.65Å; I102-A104 PolarHBondContact O-N 3.13Å
105L93.8Very high95Very high23 Ų2365.6 Ų65.612%0.1233%0.331CS..BIsolated β-bridgetrans-78.5147.8176.4-60.1-170.7000112.1P37 I38 K39 L96 L99 K100P37-L105 HydrophobicContact CG-CD2 4.35Å; P37-L105 CarbonylContact O-C 3.57Å; P37-L105 WeakPolarHBondContact O-CA 3.42Å; I38-L105 HydrophobicContact CG1-CD2 4.35Å; K39-L105 WeakPolarHBondContact CE-O 3.39Å; K39-L105 PolarHBondContact NZ-O 3.34Å; L96-L105 HydrophobicContact CD2-CD1 4.08Å; L99-L105 HydrophobicContact CB-CD1 4.32Å; L99-L105 HydrophobicContact CB-CD2 3.56Å; L99-L105 HydrophobicContact CB-CG 3.73Å; L99-L105 HydrophobicContact CD1-CD2 3.83Å; L99-L105 HydrophobicContact CG-CD2 4.3Å; K100-L105 HydrophobicContact CD-CD1 4.33Å; K100-L105 HydrophobicContact CG-CD1 3.47Å; K100-L105 VanDerWaalsContact CG-CD1 3.47Å; K100-L105 HydrophobicContact CG-CG 4.24Å
106Q82.8Confident94.7Very high205 Ų20571.4 Ų71.496%0.95836%0.36SS*.  trans-65.50171.5-174.8174.1-3.300112P37P37-Q106 HydrophobicContact CB-CB 4.45Å; P37-Q106 PolarHBondContact O-N 2.94Å

Retrieved 106 of 106 residues in 22.6 ms (Link to these results)

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