A0A093GXE0_STRCA Loading...

Rab-like 2A

AlphaFold DB , UniProt , Accession A0A093GXE0, Species STRCA (Struthio camelus australis), Gene n/a, Length 153 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
1L63.8Low76.2Confident219 Ų219112.1 Ų112.1100%1.14759%0.591SS**  0148.80-72.1160.5000107.6
2T80.9Confident75.4Confident89 Ų89119.3 Ų119.355%0.54660%0.604SS.*  trans-110120.8179.7-59.60000108.2F4 I105T2-F4 HydrophobicContact CG2-CD2 4.45Å; T2-F4 HydrophobicContact CG2-CE1 4.44Å; T2-F4 HydrophobicContact CG2-CE2 3.72Å; T2-F4 HydrophobicContact CG2-CZ 3.71Å; T2-I105 HydrophobicContact CG2-CG1 4.36Å
3D89.4Confident74.6Confident118 Ų118115.1 Ų115.163%0.63158%0.58SS**  trans-98.8138.5-178.7-55.8-47.3000110.7
4F87.5Confident73.8Confident122 Ų122113.4 Ų113.454%0.53557%0.569SS.*  trans-118.7126.5175.4-66.5-81.4000109.4T2 F101 I105T2-F4 HydrophobicContact CG2-CD2 4.45Å; T2-F4 HydrophobicContact CG2-CE1 4.44Å; T2-F4 HydrophobicContact CG2-CE2 3.72Å; T2-F4 HydrophobicContact CG2-CZ 3.71Å; F4-F101 HydrophobicContact CD1-CD1 4.06Å; F4-F101 AromaticContact CD1-CE1 3.71Å; F4-F101 HydrophobicContact CD1-CE1 3.71Å; F4-F101 AromaticContact CE1-CD1 3.45Å; F4-F101 HydrophobicContact CE1-CD1 3.45Å; F4-F101 VanDerWaalsContact CE1-CD1 3.45Å; F4-F101 AromaticContact CE1-CE1 3.62Å; F4-F101 HydrophobicContact CE1-CE1 3.62Å; F4-F101 HydrophobicContact CG-CE1 4.4Å; F4-F101 AromaticContact CZ-CD1 3.78Å; F4-F101 HydrophobicContact CZ-CD1 3.78Å; F4-F101 HydrophobicContact CZ-CE1 4.23Å; F4-I105 HydrophobicContact CZ-CD1 4.07Å; F4-I105 HydrophobicContact CZ-CG1 4.05Å
5W85.3Confident73.1Confident170 Ų170111.1 Ų111.164%0.64459%0.586SS**  trans-112.2119.9-180-58.987.3000108.7Y20W5-Y20 HydrophobicContact CB-CD1 4.14Å; W5-Y20 HydrophobicContact CD2-CD1 4.42Å; W5-Y20 AromaticContact CE3-CD1 3.96Å; W5-Y20 HydrophobicContact CE3-CD1 3.96Å; W5-Y20 AromaticContact CE3-CE1 3.92Å; W5-Y20 HydrophobicContact CE3-CE1 3.92Å
6D83.6Confident72.7Confident154 Ų154110 Ų11082%0.82458%0.578SS**  trans-93.7128.3171.7-171.724.7000109.3
7T77.9Confident72.6Confident47 Ų47103.8 Ų103.829%0.28855%0.545SS..  trans-104.3139.8-177.163.80000110.5G9 Y20T7-G9 PolarHBondContact O-N 3.03Å; T7-Y20 HydrophobicContact CG2-CD1 4.27Å; T7-Y20 HydrophobicContact CG2-CD2 3.92Å; T7-Y20 HydrophobicContact CG2-CG 3.69Å
8A70.5Confident72.6Confident45 Ų4599.6 Ų99.637%0.37253%0.527SS..  trans-66.6104177.700000110.4Q10 F13 H17A8-Q10 PolarHBondContact O-N 3.43Å; A8-F13 HydrophobicContact CB-CB 4.03Å; A8-F13 HydrophobicContact CB-CD2 3.74Å; A8-F13 HydrophobicContact CB-CG 4.1Å; A8-H17 PolarHBondContact O-CE1 3.33Å; A8-H17 PolarHBondContact O-NE2 3.01Å
9G66.4Low72.6Confident46 Ų4698.4 Ų98.447%0.47453%0.528SS..  trans-7311.9-177.200000116.5T7T7-G9 PolarHBondContact O-N 3.03Å
10Q67.9Low72.9Confident111 Ų11197.6 Ų97.652%0.51952%0.518SS..SBendtrans-86.7139.5173.9-57.7-178.213.500110.5A8 R12 F13A8-Q10 PolarHBondContact O-N 3.43Å; Q10-R12 HydrophobicContact CB-CG 3.92Å; Q10-R12 PolarHBondContact O-N 3.41Å; Q10-R12 VanDerWaalsContact O-N 3.16Å; Q10-F13 HydrophobicContact CB-CD2 3.88Å; Q10-F13 HydrophobicContact CB-CE2 4.27Å; Q10-F13 PolarHBondContact O-N 2.77Å
11E65.4Low73.2Confident112 Ų11294 Ų9452%0.52350%0.498SS..G310 helixtrans-60.4-31.5-173.9-57.4-177177.600112.9F13 Q14 N41E11-F13 PolarHBondContact O-N 3.27Å; E11-Q14 WeakPolarHBondContact O-CB 3.31Å; E11-Q14 WeakPolarHBondContact O-CG 3.49Å; E11-Q14 PolarHBondContact O-N 3.28Å; E11-Q14 VanDerWaalsContact O-N 3.16Å; E11-N41 PolarHBondContact OE1-ND2 3.11Å
12R66.6Low73.9Confident198 Ų19886.4 Ų86.475%0.74746%0.456SS*.G310 helixtrans-62.8-8.9173.555.3-177.2-81.4-169.3-0.8115.4Q10Q10-R12 HydrophobicContact CB-CG 3.92Å; Q10-R12 PolarHBondContact O-N 3.41Å; Q10-R12 VanDerWaalsContact O-N 3.16Å
13F65.1Low73.8Confident65 Ų6588.1 Ų88.129%0.28546%0.456SS..G310 helixtrans-113.19.4178.3-61.2-58.7000113.5A8 Q10 E11 G15 M16 H17A8-F13 HydrophobicContact CB-CB 4.03Å; A8-F13 HydrophobicContact CB-CD2 3.74Å; A8-F13 HydrophobicContact CB-CG 4.1Å; Q10-F13 HydrophobicContact CB-CD2 3.88Å; Q10-F13 HydrophobicContact CB-CE2 4.27Å; Q10-F13 PolarHBondContact O-N 2.77Å; E11-F13 PolarHBondContact O-N 3.27Å; F13-G15 PolarHBondContact O-N 3.3Å; F13-G15 VanDerWaalsContact O-N 3.15Å; F13-M16 HydrophobicContact CB-CE 3.82Å; F13-M16 HydrophobicContact CD1-CE 3.44Å; F13-M16 VanDerWaalsContact CD1-CE 3.44Å; F13-M16 HydrophobicContact CE1-CE 4.25Å; F13-M16 HydrophobicContact CG-CE 3.86Å; F13-M16 PolarHBondContact O-N 3.18Å; F13-H17 PolarHBondContact O-CD2 2.72Å
14Q62.6Low73.8Confident91 Ų9183.4 Ų83.443%0.42543%0.433SS..G310 helixtrans-51.6-37.4178.5-79.5168.1-6.400113.1E11 M16 H17E11-Q14 WeakPolarHBondContact O-CB 3.31Å; E11-Q14 WeakPolarHBondContact O-CG 3.49Å; E11-Q14 PolarHBondContact O-N 3.28Å; E11-Q14 VanDerWaalsContact O-N 3.16Å; Q14-M16 PolarHBondContact O-N 3.47Å; Q14-M16 VanDerWaalsContact O-N 3.08Å; Q14-H17 WeakPolarHBondContact O-CB 3.5Å; Q14-H17 PolarHBondContact O-N 3.15Å; Q14-H17 VanDerWaalsContact O-N 3.12Å
15G63.5Low74Confident80 Ų8080.4 Ų80.483%0.82542%0.421SS*.G310 helixtrans-63.1-15.3178.300000115.3F13F13-G15 PolarHBondContact O-N 3.3Å; F13-G15 VanDerWaalsContact O-N 3.15Å
16M67.3Low74.4Confident93 Ų9373.8 Ų73.846%0.45840%0.402SS..G310 helixtrans-94.6-12.1178-61.8-167.4-58.800113.2F13 Q14 A18 S19 Y20F13-M16 HydrophobicContact CB-CE 3.82Å; F13-M16 HydrophobicContact CD1-CE 3.44Å; F13-M16 VanDerWaalsContact CD1-CE 3.44Å; F13-M16 HydrophobicContact CE1-CE 4.25Å; F13-M16 HydrophobicContact CG-CE 3.86Å; F13-M16 PolarHBondContact O-N 3.18Å; Q14-M16 PolarHBondContact O-N 3.47Å; Q14-M16 VanDerWaalsContact O-N 3.08Å; M16-A18 PolarHBondContact O-N 3.1Å; M16-S19 PolarHBondContact O-OG 3.06Å; M16-Y20 HydrophobicContact CB-CE2 4.48Å; M16-Y20 VanDerWaalsContact O-CD2 3.23Å; M16-Y20 WeakPolarHBondContact O-CD2 3.29Å; M16-Y20 WeakPolarHBondContact O-CE2 3.48Å
17H71.3Confident75Confident4 Ų467.5 Ų67.52%0.01937%0.37CS..Hα-helixtrans-69.4-34.9-170.5-67.8171.5000113.4A8 F13 Q14 S19 Y20 Y21 E48A8-H17 PolarHBondContact O-CE1 3.33Å; A8-H17 PolarHBondContact O-NE2 3.01Å; F13-H17 PolarHBondContact O-CD2 2.72Å; Q14-H17 WeakPolarHBondContact O-CB 3.5Å; Q14-H17 PolarHBondContact O-N 3.15Å; Q14-H17 VanDerWaalsContact O-N 3.12Å; H17-S19 VanDerWaalsContact C-N 3.25Å; H17-S19 PolarHBondContact O-N 3.07Å; H17-S19 VanDerWaalsContact O-N 3.17Å; H17-Y20 PolarHBondContact O-N 3.29Å; H17-Y21 HydrophobicContact CB-CD2 4.47Å; H17-Y21 HydrophobicContact CB-CE2 3.68Å; H17-Y21 WeakPolarHBondContact O-CD2 3.37Å; H17-Y21 PolarHBondContact O-N 3.39Å; H17-E48 WeakPolarHBondContact CB-OE1 3.3Å; H17-E48 IonicContact CG-OE1 3.32Å; H17-E48 IonicContact ND1-OE1 3.28Å
18A71.1Confident75.9Confident28 Ų2867.8 Ų67.823%0.23137%0.369CS..Hα-helixtrans-49-45.4178.300000112.9M16 Y20 Y21 H22 F52M16-A18 PolarHBondContact O-N 3.1Å; A18-Y20 VanDerWaalsContact C-N 3.26Å; A18-Y20 PolarHBondContact O-N 3.26Å; A18-Y21 PolarHBondContact O-N 3.26Å; A18-Y21 VanDerWaalsContact O-N 3.17Å; A18-H22 PolarHBondContact O-CD2 2.96Å; A18-F52 HydrophobicContact CB-CD1 4.34Å; A18-F52 HydrophobicContact CB-CE1 3.66Å; A18-F52 HydrophobicContact CB-CE2 4.21Å; A18-F52 HydrophobicContact CB-CZ 3.6Å
19S73.8Confident77.1Confident78 Ų7866 Ų6655%0.54535%0.353SS..Hα-helixtrans-60.7-32-17967.80000113.9M16 H17M16-S19 PolarHBondContact O-OG 3.06Å; H17-S19 VanDerWaalsContact C-N 3.25Å; H17-S19 PolarHBondContact O-N 3.07Å; H17-S19 VanDerWaalsContact O-N 3.17Å
20Y77.5Confident78.5Confident82 Ų8266.8 Ų66.832%0.32235%0.349SS..Hα-helixtrans-80.5-25.1-179.4-63.5-77.9000112.6W5 T7 M16 H17 A18W5-Y20 HydrophobicContact CB-CD1 4.14Å; W5-Y20 HydrophobicContact CD2-CD1 4.42Å; W5-Y20 AromaticContact CE3-CD1 3.96Å; W5-Y20 HydrophobicContact CE3-CD1 3.96Å; W5-Y20 AromaticContact CE3-CE1 3.92Å; W5-Y20 HydrophobicContact CE3-CE1 3.92Å; T7-Y20 HydrophobicContact CG2-CD1 4.27Å; T7-Y20 HydrophobicContact CG2-CD2 3.92Å; T7-Y20 HydrophobicContact CG2-CG 3.69Å; M16-Y20 HydrophobicContact CB-CE2 4.48Å; M16-Y20 VanDerWaalsContact O-CD2 3.23Å; M16-Y20 WeakPolarHBondContact O-CD2 3.29Å; M16-Y20 WeakPolarHBondContact O-CE2 3.48Å; H17-Y20 PolarHBondContact O-N 3.29Å; A18-Y20 VanDerWaalsContact C-N 3.26Å; A18-Y20 PolarHBondContact O-N 3.26Å
21Y79.9Confident79.9Confident23 Ų2361.8 Ų61.89%0.0933%0.325CS..Hα-helixtrans-76.5-36.8-179.6-63.2-57.2000112.7H17 A18 K23 A24 E48 L49 F52 R53H17-Y21 HydrophobicContact CB-CD2 4.47Å; H17-Y21 HydrophobicContact CB-CE2 3.68Å; H17-Y21 WeakPolarHBondContact O-CD2 3.37Å; H17-Y21 PolarHBondContact O-N 3.39Å; A18-Y21 PolarHBondContact O-N 3.26Å; A18-Y21 VanDerWaalsContact O-N 3.17Å; Y21-K23 VanDerWaalsContact C-N 3.27Å; Y21-K23 PolarHBondContact O-N 3Å; Y21-K23 VanDerWaalsContact O-N 3.13Å; Y21-A24 VanDerWaalsContact O-CB 3.31Å; Y21-A24 WeakPolarHBondContact O-CB 3.33Å; Y21-A24 PolarHBondContact O-N 3.42Å; Y21-E48 HydrophobicContact CE2-CG 3.88Å; Y21-L49 HydrophobicContact CD1-CD1 3.6Å; Y21-L49 HydrophobicContact CE1-CB 4.34Å; Y21-L49 HydrophobicContact CE1-CD1 3.87Å; Y21-L49 HydrophobicContact CG-CD1 4.49Å; Y21-F52 HydrophobicContact CD2-CB 4.28Å; Y21-F52 AromaticContact CD2-CD2 3.69Å; Y21-F52 HydrophobicContact CD2-CD2 3.69Å; Y21-F52 HydrophobicContact CD2-CE2 4.38Å; Y21-F52 HydrophobicContact CD2-CG 4.16Å; Y21-F52 HydrophobicContact CE2-CD2 4.26Å; Y21-F52 HydrophobicContact CG-CB 4.29Å; Y21-R53 WeakPolarHBondContact O-CG 3.33Å
22H77.5Confident81.3Confident58 Ų5856.9 Ų56.927%0.26930%0.302SS..THydrogen-bonded Turntrans-57.4-35.4-170-70.2-59000114.6A18 F52 R53 M119A18-H22 PolarHBondContact O-CD2 2.96Å; H22-F52 AromaticContact CE1-CD1 3.67Å; H22-F52 AromaticContact NE2-CD1 3.97Å; H22-R53 PolarHBondContact O-NH1 3.14Å; H22-M119 WeakPolarHBondContact ND1-CE 3.24Å
23K80.6Confident82.8Confident126 Ų12648.6 Ų48.655%0.54827%0.274SS..THydrogen-bonded Turntrans-97.64.2179.1-61.8-169.3176.2-166.10113.9Y21 H25 M123Y21-K23 VanDerWaalsContact C-N 3.27Å; Y21-K23 PolarHBondContact O-N 3Å; Y21-K23 VanDerWaalsContact O-N 3.13Å; K23-H25 PolarHBondContact O-CE1 3.01Å; K23-H25 PolarHBondContact O-ND1 2.67Å; K23-H25 VanDerWaalsContact O-ND1 3.14Å; K23-M123 HydrophobicContact CD-CE 4.35Å; K23-M123 VanDerWaalsContact CE-CE 3.49Å; K23-M123 HydrophobicContact CG-CE 4.05Å
24A88.9Confident84.2Confident18 Ų1851.5 Ų51.515%0.14929%0.288CS..  trans-77.8134.5-176.800000111Y21 I56Y21-A24 VanDerWaalsContact O-CB 3.31Å; Y21-A24 WeakPolarHBondContact O-CB 3.33Å; Y21-A24 PolarHBondContact O-N 3.42Å; A24-I56 HydrophobicContact CB-CD1 3.82Å; A24-I56 WeakPolarHBondContact O-CG2 3.24Å
25H91.7Very high85.7Confident60 Ų6053.6 Ų53.628%0.27829%0.292SS..SBendtrans-106.6-10.3174.5-59.481.2000112.2K23 P57 A108 Y111K23-H25 PolarHBondContact O-CE1 3.01Å; K23-H25 PolarHBondContact O-ND1 2.67Å; K23-H25 VanDerWaalsContact O-ND1 3.14Å; H25-P57 VanDerWaalsContact O-CD 3.31Å; H25-P57 WeakPolarHBondContact O-CD 3.36Å; H25-P57 WeakPolarHBondContact O-CG 3.49Å; H25-A108 HydrophobicContact CB-CB 4.15Å; H25-Y111 HydrophobicContact CB-CD1 4.45Å
26A94.3Very high87.1Confident30 Ų3057.5 Ų57.525%0.24829%0.287CS..  trans-157.1158.2171.500000109.1P57 A108A26-P57 CarbonylContact C-O 3.53Å; A26-P57 WeakPolarHBondContact CA-O 3.47Å; A26-P57 HydrophobicContact CB-CG 3.95Å; A26-A108 HydrophobicContact CB-CB 3.75Å
27C95.3Very high88.3Confident23 Ų2357.2 Ų57.216%0.15529%0.29CS..EExtended strand (participates in β ladder)trans-124.6137.6175.3-179.10000110.7L49 I56 P57 C58 I59C27-L49 HydrophobicContact CB-CD1 4.11Å; C27-L49 HydrophobicContact CB-CD2 3.63Å; C27-I56 HydrophobicContact CB-CD1 4.25Å; C27-P57 PolarHBondContact N-O 2.9Å; C27-C58 HydrophobicContact CB-CB 4.32Å; C27-C58 CarbonylContact O-C 3.57Å; C27-C58 WeakPolarHBondContact O-CA 3.42Å; C27-I59 PolarHBondContact O-N 3.39Å
28I96.7Very high89.4Confident52 Ų5257.7 Ų57.727%0.26729%0.293SS..EExtended strand (participates in β ladder)trans-112.9111.9168.2-56.6178.1000107.2V30 V61 L100 F101 A104I28-V30 HydrophobicContact CG2-CG2 3.82Å; I28-V61 HydrophobicContact CG2-CG2 3.53Å; I28-L100 HydrophobicContact CD1-CG 4.42Å; I28-L100 HydrophobicContact CG2-CD1 4.33Å; I28-L100 HydrophobicContact CG2-CD2 4.16Å; I28-F101 HydrophobicContact CD1-CD1 4.39Å; I28-F101 HydrophobicContact CD1-CE1 4.24Å; I28-A104 HydrophobicContact CD1-CB 3.8Å; I28-A104 HydrophobicContact CG1-CB 4.1Å
29M95.5Very high90.6Very high9 Ų959 Ų594%0.04429%0.293CS..EExtended strand (participates in β ladder)trans-101.7110-178.3-161.4177.6-70.700110.3L42 W45 Y46 L49 I59 V60 V61M29-L42 HydrophobicContact CB-CD2 4.4Å; M29-L42 HydrophobicContact CG-CD2 3.45Å; M29-L42 VanDerWaalsContact CG-CD2 3.45Å; M29-L42 HydrophobicContact SD-CB 4.09Å; M29-L42 HydrophobicContact SD-CD2 3.57Å; M29-L42 VanDerWaalsContact SD-CD2 3.57Å; M29-L42 HydrophobicContact SD-CG 4.44Å; M29-W45 HydrophobicContact CE-CB 3.83Å; M29-W45 HydrophobicContact CG-CE3 4.02Å; M29-W45 HydrophobicContact SD-CB 3.96Å; M29-W45 HydrophobicContact SD-CE3 4.42Å; M29-Y46 HydrophobicContact CE-CD2 4.27Å; M29-L49 HydrophobicContact CE-CD2 4.45Å; M29-I59 PolarHBondContact N-O 3.04Å; M29-V60 CarbonylContact O-C 3.57Å; M29-V60 WeakPolarHBondContact O-CA 3.31Å; M29-V61 PolarHBondContact O-N 3.48Å
30V96.5Very high91.6Very high62 Ų6261.7 Ų61.738%0.37629%0.294SS..EExtended strand (participates in β ladder)trans-107.8133-170.4-168.90000110.5I28 V61 N63I28-V30 HydrophobicContact CG2-CG2 3.82Å; V30-V61 WeakPolarHBondContact CA-O 3.48Å; V30-V61 HydrophobicContact CB-CB 4.41Å; V30-V61 HydrophobicContact CG1-CB 4.24Å; V30-V61 HydrophobicContact CG1-CG1 4.25Å; V30-V61 HydrophobicContact CG2-CB 4.09Å; V30-V61 HydrophobicContact CG2-CG2 4.49Å; V30-N63 HydrophobicContact CG1-CB 3.5Å
31F96.5Very high92.3Very high6 Ų659 Ų593%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-122.7160.6166.174.4-82000111.1V33 Y39 L42 V60 V61 A62 N63 F76 F86F31-V33 HydrophobicContact CE2-CG1 4.07Å; F31-Y39 HydrophobicContact CD1-CD2 4.05Å; F31-Y39 AromaticContact CD2-CD2 3.9Å; F31-Y39 HydrophobicContact CD2-CD2 3.9Å; F31-Y39 HydrophobicContact CD2-CG 4.31Å; F31-Y39 AromaticContact CE1-CD2 3.87Å; F31-Y39 HydrophobicContact CE1-CD2 3.87Å; F31-Y39 HydrophobicContact CE1-CE2 4.32Å; F31-Y39 AromaticContact CE2-CD2 3.72Å; F31-Y39 HydrophobicContact CE2-CD2 3.72Å; F31-Y39 HydrophobicContact CE2-CG 4.33Å; F31-Y39 HydrophobicContact CG-CD2 4.05Å; F31-Y39 AromaticContact CZ-CD2 3.69Å; F31-Y39 HydrophobicContact CZ-CD2 3.69Å; F31-Y39 HydrophobicContact CZ-CE2 4.21Å; F31-L42 HydrophobicContact CB-CD1 4.43Å; F31-L42 HydrophobicContact CB-CD2 4.18Å; F31-L42 HydrophobicContact CB-CG 4.39Å; F31-L42 HydrophobicContact CD1-CD1 3.74Å; F31-L42 HydrophobicContact CD1-CD2 4.39Å; F31-L42 HydrophobicContact CE1-CD1 4.29Å; F31-L42 HydrophobicContact CG-CD1 4.23Å; F31-V60 HydrophobicContact CD1-CG1 4.37Å; F31-V60 HydrophobicContact CE1-CG1 4.22Å; F31-V61 WeakPolarHBondContact CD1-O 3.46Å; F31-V61 PolarHBondContact N-O 3.41Å; F31-A62 HydrophobicContact CE1-CB 3.71Å; F31-A62 HydrophobicContact CE2-CB 4.19Å; F31-A62 HydrophobicContact CZ-CB 3.46Å; F31-A62 VanDerWaalsContact CZ-CB 3.46Å; F31-N63 PolarHBondContact O-N 3.22Å; F31-F76 AromaticContact CE2-CD1 3.98Å; F31-F76 HydrophobicContact CE2-CD1 3.98Å; F31-F76 AromaticContact CE2-CE1 3.58Å; F31-F76 HydrophobicContact CE2-CE1 3.58Å; F31-F76 HydrophobicContact CE2-CZ 4.08Å; F31-F76 AromaticContact CZ-CD1 3.58Å; F31-F76 HydrophobicContact CZ-CD1 3.58Å; F31-F76 HydrophobicContact CZ-CD2 4.37Å; F31-F76 AromaticContact CZ-CE1 3.6Å; F31-F76 HydrophobicContact CZ-CE1 3.6Å; F31-F76 HydrophobicContact CZ-CE2 4.41Å; F31-F76 AromaticContact CZ-CG 3.97Å; F31-F76 HydrophobicContact CZ-CG 3.97Å; F31-F76 HydrophobicContact CZ-CZ 4.03Å; F31-F86 AromaticContact CE1-CE2 3.9Å; F31-F86 HydrophobicContact CE1-CE2 3.9Å; F31-F86 HydrophobicContact CE1-CZ 4.39Å; F31-F86 HydrophobicContact CZ-CE2 4.28Å; F31-F86 HydrophobicContact CZ-CZ 4.38Å
32D96.1Very high92.9Very high8 Ų857.9 Ų57.94%0.04328%0.281CS..EExtended strand (participates in β ladder)trans-96.4119.7179.7178.8-22.7000109.2Q34 R35 T38 K64D32-Q34 PolarHBondContact O-N 3.41Å; D32-Q34 VanDerWaalsContact O-N 3.17Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.13Å; D32-Q34 PolarHBondContact OD1-N 3.34Å; D32-R35 HydrophobicContact CB-CB 4.2Å; D32-R35 CarbonylContact O-C 3.18Å; D32-R35 PolarHBondContact O-N 3Å; D32-R35 IonicContact OD2-CZ 3.73Å; D32-R35 IonicContact OD2-NE 3.61Å; D32-R35 PolarHBondContact OD2-NE 3.05Å; D32-R35 IonicContact OD2-NH2 3.88Å; D32-R35 PolarHBondContact OD2-NH2 3.36Å; D32-T38 HydrophobicContact CB-CG2 4.23Å; D32-T38 PolarHBondContact N-OG1 3.06Å; D32-T38 PolarHBondContact O-OG1 3.28Å; D32-K64 WeakPolarHBondContact OD2-CD 3.17Å; D32-K64 VanDerWaalsContact OD2-CE 3.23Å; D32-K64 WeakPolarHBondContact OD2-CE 3.46Å; D32-K64 IonicContact OD2-NZ 3.28Å; D32-K64 PolarHBondContact OD2-NZ 3.41Å
33V96.4Very high93.7Very high24 Ų2458 Ų5815%0.14529%0.288CS..THydrogen-bonded Turntrans-64.7-21-175.3-62.10000113.6F31 A62 N63 K64 I65 V71F31-V33 HydrophobicContact CE2-CG1 4.07Å; V33-A62 HydrophobicContact CG1-CB 3.65Å; V33-N63 WeakPolarHBondContact CG1-O 3.14Å; V33-N63 WeakPolarHBondContact CG2-O 3.08Å; V33-N63 PolarHBondContact N-O 2.96Å; V33-N63 VanDerWaalsContact N-O 3.09Å; V33-K64 HydrophobicContact CG2-CB 4.4Å; V33-K64 VanDerWaalsContact CG2-O 3.3Å; V33-K64 WeakPolarHBondContact CG2-O 3.48Å; V33-I65 HydrophobicContact CG1-CG2 4.34Å; V33-V71 HydrophobicContact CB-CG1 3.72Å; V33-V71 HydrophobicContact CB-CG2 4.23Å; V33-V71 HydrophobicContact CG1-CG1 3.62Å; V33-V71 HydrophobicContact CG2-CG1 4.11Å; V33-V71 HydrophobicContact CG2-CG2 4.3Å
34Q94.4Very high94.2Very high126 Ų12656.6 Ų56.659%0.58929%0.287SS*.THydrogen-bonded Turntrans-85.8-19.2177.2-54.8-170.8-67.400112.1D32 A67D32-Q34 PolarHBondContact O-N 3.41Å; D32-Q34 VanDerWaalsContact O-N 3.17Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.13Å; D32-Q34 PolarHBondContact OD1-N 3.34Å; Q34-A67 VanDerWaalsContact CD-CB 3.48Å; Q34-A67 HydrophobicContact CG-CB 4.24Å
35R94.4Very high94.4Very high136 Ų13657.7 Ų57.751%0.51329%0.287SS..  trans-116.693.1-175.3-66.8-171.7-65152.64.7111.5D32 V37 T38D32-R35 HydrophobicContact CB-CB 4.2Å; D32-R35 CarbonylContact O-C 3.18Å; D32-R35 PolarHBondContact O-N 3Å; D32-R35 IonicContact OD2-CZ 3.73Å; D32-R35 IonicContact OD2-NE 3.61Å; D32-R35 PolarHBondContact OD2-NE 3.05Å; D32-R35 IonicContact OD2-NH2 3.88Å; D32-R35 PolarHBondContact OD2-NH2 3.36Å; R35-V37 PolarHBondContact O-N 3.38Å; R35-T38 HydrophobicContact CB-CG2 3.97Å; R35-T38 WeakPolarHBondContact O-CB 3.37Å; R35-T38 PolarHBondContact O-N 3.07Å; R35-T38 PolarHBondContact O-OG1 3.38Å
36K93.6Very high94.4Very high162 Ų16256.1 Ų56.170%0.70428%0.279SS*.Hα-helixtrans-51.3-32.1-179-170.6174.6-176.6176.60114.6T38 Y39 K40K36-T38 VanDerWaalsContact C-N 3.29Å; K36-T38 PolarHBondContact O-N 3.37Å; K36-Y39 PolarHBondContact O-N 3.01Å; K36-K40 PolarHBondContact O-N 3.2Å
37V93.3Very high94.4Very high86 Ų8662 Ų6252%0.52130%0.299SS..Hα-helixtrans-60.6-38.2177.266.80000112R35 Y39 K40 N41R35-V37 PolarHBondContact O-N 3.38Å; V37-Y39 VanDerWaalsContact C-N 3.3Å; V37-Y39 PolarHBondContact O-N 3.47Å; V37-K40 WeakPolarHBondContact O-CB 3.34Å; V37-K40 PolarHBondContact O-N 3.06Å; V37-K40 VanDerWaalsContact O-N 3.07Å; V37-N41 PolarHBondContact O-N 3.25Å; V37-N41 VanDerWaalsContact O-N 3.08Å; V37-N41 PolarHBondContact O-OD1 2.98Å
38T94.4Very high94.1Very high15 Ų1562.5 Ų62.59%0.09230%0.299CS..Hα-helixtrans-64.8-35.9-18065.90000111.9D32 R35 K36 N41D32-T38 HydrophobicContact CB-CG2 4.23Å; D32-T38 PolarHBondContact N-OG1 3.06Å; D32-T38 PolarHBondContact O-OG1 3.28Å; R35-T38 HydrophobicContact CB-CG2 3.97Å; R35-T38 WeakPolarHBondContact O-CB 3.37Å; R35-T38 PolarHBondContact O-N 3.07Å; R35-T38 PolarHBondContact O-OG1 3.38Å; K36-T38 VanDerWaalsContact C-N 3.29Å; K36-T38 PolarHBondContact O-N 3.37Å; T38-N41 PolarHBondContact O-N 3.02Å
39Y95.6Very high93.9Very high56 Ų5660.1 Ų60.122%0.2229%0.287CS..Hα-helixtrans-67.4-36.5173.5-179.2-101.5000112.6F31 K36 V37 N41 L42 F76 N77 F78F31-Y39 HydrophobicContact CD1-CD2 4.05Å; F31-Y39 AromaticContact CD2-CD2 3.9Å; F31-Y39 HydrophobicContact CD2-CD2 3.9Å; F31-Y39 HydrophobicContact CD2-CG 4.31Å; F31-Y39 AromaticContact CE1-CD2 3.87Å; F31-Y39 HydrophobicContact CE1-CD2 3.87Å; F31-Y39 HydrophobicContact CE1-CE2 4.32Å; F31-Y39 AromaticContact CE2-CD2 3.72Å; F31-Y39 HydrophobicContact CE2-CD2 3.72Å; F31-Y39 HydrophobicContact CE2-CG 4.33Å; F31-Y39 HydrophobicContact CG-CD2 4.05Å; F31-Y39 AromaticContact CZ-CD2 3.69Å; F31-Y39 HydrophobicContact CZ-CD2 3.69Å; F31-Y39 HydrophobicContact CZ-CE2 4.21Å; K36-Y39 PolarHBondContact O-N 3.01Å; V37-Y39 VanDerWaalsContact C-N 3.3Å; V37-Y39 PolarHBondContact O-N 3.47Å; Y39-N41 VanDerWaalsContact C-N 3.3Å; Y39-N41 PolarHBondContact O-N 2.98Å; Y39-L42 HydrophobicContact CD2-CD1 3.48Å; Y39-L42 VanDerWaalsContact CD2-CD1 3.48Å; Y39-L42 HydrophobicContact CE2-CD1 3.77Å; Y39-L42 HydrophobicContact CG-CD1 4.28Å; Y39-L42 WeakPolarHBondContact O-CB 3.45Å; Y39-L42 VanDerWaalsContact O-CG 3.32Å; Y39-L42 WeakPolarHBondContact O-CG 3.42Å; Y39-L42 PolarHBondContact O-N 3.35Å; Y39-F76 AromaticContact CD2-CD1 3.81Å; Y39-F76 HydrophobicContact CD2-CD1 3.81Å; Y39-F76 HydrophobicContact CD2-CE1 4.39Å; Y39-F76 HydrophobicContact CE2-CB 3.94Å; Y39-F76 AromaticContact CE2-CD1 3.52Å; Y39-F76 HydrophobicContact CE2-CD1 3.52Å; Y39-F76 HydrophobicContact CE2-CE1 4.5Å; Y39-F76 HydrophobicContact CE2-CG 4.17Å; Y39-F76 HydrophobicContact CG-CD1 4.49Å; Y39-F76 AromaticContact CZ-CD1 3.97Å; Y39-N77 PolarHBondContact OH-N 3.03Å; Y39-F78 HydrophobicContact CE2-CB 3.92Å; Y39-F78 WeakPolarHBondContact OH-CB 3.45Å; Y39-F78 PolarHBondContact OH-N 2.78Å
40K93.7Very high93.7Very high134 Ų13462.7 Ų62.758%0.58330%0.296SS*.Hα-helixtrans-65.4-37.1176.3-68.4-177.1176.5-174.50111.5K36 V37 L42 S43K36-K40 PolarHBondContact O-N 3.2Å; V37-K40 WeakPolarHBondContact O-CB 3.34Å; V37-K40 PolarHBondContact O-N 3.06Å; V37-K40 VanDerWaalsContact O-N 3.07Å; K40-L42 PolarHBondContact O-N 3.06Å; K40-S43 PolarHBondContact O-N 2.63Å
41N92.3Very high93.4Very high24 Ų2466.5 Ų66.513%0.12831%0.31CS..Hα-helixtrans-67.9-18.6-178.3-71.86.4000113.5E11 V37 T38 Y39 S43 N44 W45E11-N41 PolarHBondContact OE1-ND2 3.11Å; V37-N41 PolarHBondContact O-N 3.25Å; V37-N41 VanDerWaalsContact O-N 3.08Å; V37-N41 PolarHBondContact O-OD1 2.98Å; T38-N41 PolarHBondContact O-N 3.02Å; Y39-N41 VanDerWaalsContact C-N 3.3Å; Y39-N41 PolarHBondContact O-N 2.98Å; N41-S43 PolarHBondContact O-N 3.33Å; N41-S43 VanDerWaalsContact O-N 3.12Å; N41-N44 WeakPolarHBondContact O-CB 3.14Å; N41-N44 PolarHBondContact O-N 2.97Å; N41-W45 HydrophobicContact CB-CD2 4.39Å; N41-W45 HydrophobicContact CB-CH2 4.36Å; N41-W45 HydrophobicContact CB-CZ2 4.04Å; N41-W45 PolarHBondContact O-N 3.43Å
42L94.4Very high93Very high0 Ų068.7 Ų68.70%032%0.319CS..Hα-helixtrans-52.2-36.5174.9-64.6178000112.9M29 F31 Y39 K40 N44 W45 Y46 V60 F78M29-L42 HydrophobicContact CB-CD2 4.4Å; M29-L42 HydrophobicContact CG-CD2 3.45Å; M29-L42 VanDerWaalsContact CG-CD2 3.45Å; M29-L42 HydrophobicContact SD-CB 4.09Å; M29-L42 HydrophobicContact SD-CD2 3.57Å; M29-L42 VanDerWaalsContact SD-CD2 3.57Å; M29-L42 HydrophobicContact SD-CG 4.44Å; F31-L42 HydrophobicContact CB-CD1 4.43Å; F31-L42 HydrophobicContact CB-CD2 4.18Å; F31-L42 HydrophobicContact CB-CG 4.39Å; F31-L42 HydrophobicContact CD1-CD1 3.74Å; F31-L42 HydrophobicContact CD1-CD2 4.39Å; F31-L42 HydrophobicContact CE1-CD1 4.29Å; F31-L42 HydrophobicContact CG-CD1 4.23Å; Y39-L42 HydrophobicContact CD2-CD1 3.48Å; Y39-L42 VanDerWaalsContact CD2-CD1 3.48Å; Y39-L42 HydrophobicContact CE2-CD1 3.77Å; Y39-L42 HydrophobicContact CG-CD1 4.28Å; Y39-L42 WeakPolarHBondContact O-CB 3.45Å; Y39-L42 VanDerWaalsContact O-CG 3.32Å; Y39-L42 WeakPolarHBondContact O-CG 3.42Å; Y39-L42 PolarHBondContact O-N 3.35Å; K40-L42 PolarHBondContact O-N 3.06Å; L42-N44 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 2.91Å; L42-W45 HydrophobicContact CD2-CE3 4.1Å; L42-W45 HydrophobicContact CD2-CZ3 4.28Å; L42-Y46 WeakPolarHBondContact O-CB 3.36Å; L42-Y46 PolarHBondContact O-N 2.71Å; L42-V60 HydrophobicContact CD1-CG1 4.15Å; L42-F78 HydrophobicContact CB-CD1 4.15Å; L42-F78 HydrophobicContact CB-CD2 4.19Å; L42-F78 HydrophobicContact CB-CE1 3.99Å; L42-F78 HydrophobicContact CB-CE2 4.03Å; L42-F78 HydrophobicContact CB-CG 4.26Å; L42-F78 HydrophobicContact CB-CZ 3.93Å; L42-F78 HydrophobicContact CD1-CB 4.44Å; L42-F78 HydrophobicContact CD1-CD1 4.01Å; L42-F78 HydrophobicContact CD1-CG 4.16Å; L42-F78 WeakPolarHBondContact O-CZ 3.42Å
43S93.9Very high92.7Very high61 Ų6168.3 Ų68.343%0.42732%0.317SS..Hα-helixtrans-67.2-35.2-179.9-62.30000112.4K40 N41 K47 F78K40-S43 PolarHBondContact O-N 2.63Å; N41-S43 PolarHBondContact O-N 3.33Å; N41-S43 VanDerWaalsContact O-N 3.12Å; S43-K47 WeakPolarHBondContact O-CB 3.23Å; S43-K47 PolarHBondContact O-N 3.46Å; S43-K47 VanDerWaalsContact O-N 3.13Å; S43-F78 WeakPolarHBondContact OG-CE2 3.36Å
44N91.4Very high92.4Very high96 Ų9670.4 Ų70.451%0.51333%0.331SS..Hα-helixtrans-72.9-49.9177.7-62.8-15.9000109.9N41 L42 Y46 K47 E48N41-N44 WeakPolarHBondContact O-CB 3.14Å; N41-N44 PolarHBondContact O-N 2.97Å; L42-N44 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 2.91Å; N44-Y46 VanDerWaalsContact C-N 3.28Å; N44-Y46 PolarHBondContact O-N 2.76Å; N44-K47 PolarHBondContact O-N 3.14Å; N44-E48 WeakPolarHBondContact O-CB 3.49Å; N44-E48 PolarHBondContact O-N 3.05Å
45W91.1Very high92.2Very high41 Ų4169.9 Ų69.916%0.15533%0.329CS..Hα-helixtrans-61.3-36.1178.5-61-26.8000112.7M29 N41 L42 L49M29-W45 HydrophobicContact CE-CB 3.83Å; M29-W45 HydrophobicContact CG-CE3 4.02Å; M29-W45 HydrophobicContact SD-CB 3.96Å; M29-W45 HydrophobicContact SD-CE3 4.42Å; N41-W45 HydrophobicContact CB-CD2 4.39Å; N41-W45 HydrophobicContact CB-CH2 4.36Å; N41-W45 HydrophobicContact CB-CZ2 4.04Å; N41-W45 PolarHBondContact O-N 3.43Å; L42-W45 HydrophobicContact CD2-CE3 4.1Å; L42-W45 HydrophobicContact CD2-CZ3 4.28Å; W45-L49 VanDerWaalsContact O-CB 3.27Å; W45-L49 WeakPolarHBondContact O-CB 3.18Å; W45-L49 PolarHBondContact O-N 2.97Å
46Y93.5Very high92.1Very high27 Ų2763.4 Ų63.411%0.10630%0.304CS..Hα-helixtrans-72-38.9177-174-106.2000112.8M29 L42 N44 E48 R50 C58 F78 F82 L84M29-Y46 HydrophobicContact CE-CD2 4.27Å; L42-Y46 WeakPolarHBondContact O-CB 3.36Å; L42-Y46 PolarHBondContact O-N 2.71Å; N44-Y46 VanDerWaalsContact C-N 3.28Å; N44-Y46 PolarHBondContact O-N 2.76Å; Y46-E48 VanDerWaalsContact C-N 3.33Å; Y46-R50 HydrophobicContact CD1-CG 4.35Å; Y46-R50 HydrophobicContact CD2-CG 4.5Å; Y46-R50 HydrophobicContact CE1-CG 3.99Å; Y46-R50 HydrophobicContact CE2-CG 4.15Å; Y46-R50 VanDerWaalsContact CZ-NE 3.27Å; Y46-R50 WeakPolarHBondContact O-CB 3.24Å; Y46-R50 VanDerWaalsContact O-CG 3.27Å; Y46-R50 WeakPolarHBondContact O-CG 3.46Å; Y46-R50 PolarHBondContact O-N 2.85Å; Y46-R50 PolarHBondContact OH-NE 3.13Å; Y46-R50 PolarHBondContact OH-NH2 3.17Å; Y46-C58 HydrophobicContact CE2-CB 4.36Å; Y46-F78 HydrophobicContact CD1-CZ 4.28Å; Y46-F78 AromaticContact CG-CZ 3.92Å; Y46-F78 HydrophobicContact CG-CZ 3.92Å; Y46-F82 HydrophobicContact CD1-CD1 4.21Å; Y46-F82 HydrophobicContact CD1-CD2 4.29Å; Y46-F82 HydrophobicContact CD1-CE1 4.13Å; Y46-F82 HydrophobicContact CD1-CE2 4.24Å; Y46-F82 HydrophobicContact CD1-CG 4.28Å; Y46-F82 HydrophobicContact CD1-CZ 4.14Å; Y46-F82 HydrophobicContact CE1-CB 4.25Å; Y46-F82 AromaticContact CE1-CD1 3.47Å; Y46-F82 HydrophobicContact CE1-CD1 3.47Å; Y46-F82 VanDerWaalsContact CE1-CD1 3.47Å; Y46-F82 HydrophobicContact CE1-CD2 4.18Å; Y46-F82 AromaticContact CE1-CE1 3.73Å; Y46-F82 HydrophobicContact CE1-CE1 3.73Å; Y46-F82 HydrophobicContact CE1-CE2 4.41Å; Y46-F82 AromaticContact CE1-CG 3.7Å; Y46-F82 HydrophobicContact CE1-CG 3.7Å; Y46-F82 HydrophobicContact CE1-CZ 4.2Å; Y46-L84 HydrophobicContact CD2-CD1 4.15Å; Y46-L84 HydrophobicContact CE2-CD1 3.71Å; Y46-L84 HydrophobicContact CE2-CD2 4.25Å
47K92.9Very high92.2Very high155 Ų15557 Ų5767%0.67428%0.28SS*.Hα-helixtrans-60.3-48173.4-175.9-173.4174.9-168.30110.3S43 N44 R50 E51S43-K47 WeakPolarHBondContact O-CB 3.23Å; S43-K47 PolarHBondContact O-N 3.46Å; S43-K47 VanDerWaalsContact O-N 3.13Å; N44-K47 PolarHBondContact O-N 3.14Å; K47-R50 PolarHBondContact O-N 3.17Å; K47-E51 PolarHBondContact O-N 2.97Å; K47-E51 VanDerWaalsContact O-N 3.09Å
48E90.1Very high92.4Very high33 Ų3353.1 Ų53.115%0.15426%0.256CS..Hα-helixtrans-61-49.1178.4-173.1-176.6173.100111.6H17 Y21 N44 Y46 R50 E51 F52H17-E48 WeakPolarHBondContact CB-OE1 3.3Å; H17-E48 IonicContact CG-OE1 3.32Å; H17-E48 IonicContact ND1-OE1 3.28Å; Y21-E48 HydrophobicContact CE2-CG 3.88Å; N44-E48 WeakPolarHBondContact O-CB 3.49Å; N44-E48 PolarHBondContact O-N 3.05Å; Y46-E48 VanDerWaalsContact C-N 3.33Å; E48-R50 VanDerWaalsContact C-N 3.27Å; E48-R50 PolarHBondContact O-N 3.41Å; E48-E51 VanDerWaalsContact O-CB 3.3Å; E48-E51 WeakPolarHBondContact O-CB 3.2Å; E48-E51 PolarHBondContact O-N 3.26Å; E48-F52 HydrophobicContact CG-CD2 4.22Å; E48-F52 HydrophobicContact CG-CE2 3.98Å; E48-F52 VanDerWaalsContact O-CD2 3.28Å; E48-F52 WeakPolarHBondContact O-CD2 3.34Å; E48-F52 PolarHBondContact O-N 3.12Å
49L91.1Very high92.6Very high1 Ų152.5 Ų52.51%0.00525%0.252CS..Hα-helixtrans-53.2-46.5175.217366.7000111.7Y21 C27 M29 W45 E51 F52 R53 I56 C58Y21-L49 HydrophobicContact CD1-CD1 3.6Å; Y21-L49 HydrophobicContact CE1-CB 4.34Å; Y21-L49 HydrophobicContact CE1-CD1 3.87Å; Y21-L49 HydrophobicContact CG-CD1 4.49Å; C27-L49 HydrophobicContact CB-CD1 4.11Å; C27-L49 HydrophobicContact CB-CD2 3.63Å; M29-L49 HydrophobicContact CE-CD2 4.45Å; W45-L49 VanDerWaalsContact O-CB 3.27Å; W45-L49 WeakPolarHBondContact O-CB 3.18Å; W45-L49 PolarHBondContact O-N 2.97Å; L49-E51 PolarHBondContact O-N 2.99Å; L49-F52 PolarHBondContact O-N 3.24Å; L49-R53 HydrophobicContact CD1-CB 4.35Å; L49-R53 CarbonylContact O-C 3.43Å; L49-R53 WeakPolarHBondContact O-CA 3.36Å; L49-R53 PolarHBondContact O-N 3.44Å; L49-I56 HydrophobicContact CD1-CD1 3.81Å; L49-I56 HydrophobicContact CD1-CG1 4.19Å; L49-C58 HydrophobicContact CD2-CB 3.98Å
50R92.3Very high92.7Very high64 Ų6449.9 Ų49.924%0.24224%0.242CC..Hα-helixtrans-71.2-19.7-178.1-68.7-63.5-175.7-154.2-5.4113.4Y46 K47 E48 P54 I56Y46-R50 HydrophobicContact CD1-CG 4.35Å; Y46-R50 HydrophobicContact CD2-CG 4.5Å; Y46-R50 HydrophobicContact CE1-CG 3.99Å; Y46-R50 HydrophobicContact CE2-CG 4.15Å; Y46-R50 VanDerWaalsContact CZ-NE 3.27Å; Y46-R50 WeakPolarHBondContact O-CB 3.24Å; Y46-R50 VanDerWaalsContact O-CG 3.27Å; Y46-R50 WeakPolarHBondContact O-CG 3.46Å; Y46-R50 PolarHBondContact O-N 2.85Å; Y46-R50 PolarHBondContact OH-NE 3.13Å; Y46-R50 PolarHBondContact OH-NH2 3.17Å; K47-R50 PolarHBondContact O-N 3.17Å; E48-R50 VanDerWaalsContact C-N 3.27Å; E48-R50 PolarHBondContact O-N 3.41Å; R50-P54 VanDerWaalsContact CD-O 3.23Å; R50-P54 WeakPolarHBondContact CD-O 3.31Å; R50-P54 PolarHBondContact NH1-O 3.48Å; R50-P54 WeakPolarHBondContact O-CA 3.36Å; R50-P54 WeakPolarHBondContact O-CB 3.47Å; R50-I56 PolarHBondContact NH1-O 3.03Å
51E90.3Very high92.9Very high142 Ų14243.6 Ų43.666%0.66421%0.214SC*.Hα-helixtrans-71.2-41.2172.5-171.2173.616300111.3K47 E48 L49K47-E51 PolarHBondContact O-N 2.97Å; K47-E51 VanDerWaalsContact O-N 3.09Å; E48-E51 VanDerWaalsContact O-CB 3.3Å; E48-E51 WeakPolarHBondContact O-CB 3.2Å; E48-E51 PolarHBondContact O-N 3.26Å; L49-E51 PolarHBondContact O-N 2.99Å
52F87.8Confident93.2Very high52 Ų5242.4 Ų42.423%0.22821%0.208CC..Hα-helixtrans-91.2-35.5-178.3-66.8-76.1000114.2A18 Y21 H22 E48 L49A18-F52 HydrophobicContact CB-CD1 4.34Å; A18-F52 HydrophobicContact CB-CE1 3.66Å; A18-F52 HydrophobicContact CB-CE2 4.21Å; A18-F52 HydrophobicContact CB-CZ 3.6Å; Y21-F52 HydrophobicContact CD2-CB 4.28Å; Y21-F52 AromaticContact CD2-CD2 3.69Å; Y21-F52 HydrophobicContact CD2-CD2 3.69Å; Y21-F52 HydrophobicContact CD2-CE2 4.38Å; Y21-F52 HydrophobicContact CD2-CG 4.16Å; Y21-F52 HydrophobicContact CE2-CD2 4.26Å; Y21-F52 HydrophobicContact CG-CB 4.29Å; H22-F52 AromaticContact CE1-CD1 3.67Å; H22-F52 AromaticContact NE2-CD1 3.97Å; E48-F52 HydrophobicContact CG-CD2 4.22Å; E48-F52 HydrophobicContact CG-CE2 3.98Å; E48-F52 VanDerWaalsContact O-CD2 3.28Å; E48-F52 WeakPolarHBondContact O-CD2 3.34Å; E48-F52 PolarHBondContact O-N 3.12Å; L49-F52 PolarHBondContact O-N 3.24Å
53R90.1Very high93.3Very high0 Ų043.9 Ų43.90%022%0.216CC..  trans-138.778.7-177.3-68-57.6-56.1-1393.4109.7Y21 H22 L49 E55 I56 Y111 D117 D120Y21-R53 WeakPolarHBondContact O-CG 3.33Å; H22-R53 PolarHBondContact O-NH1 3.14Å; L49-R53 HydrophobicContact CD1-CB 4.35Å; L49-R53 CarbonylContact O-C 3.43Å; L49-R53 WeakPolarHBondContact O-CA 3.36Å; L49-R53 PolarHBondContact O-N 3.44Å; R53-E55 PolarHBondContact O-N 3.12Å; R53-I56 HydrophobicContact CB-CB 4.45Å; R53-I56 HydrophobicContact CB-CD1 3.89Å; R53-I56 HydrophobicContact CB-CG1 3.87Å; R53-I56 HydrophobicContact CB-CG2 3.87Å; R53-I56 HydrophobicContact CG-CD1 4.29Å; R53-I56 HydrophobicContact CG-CG2 4.31Å; R53-Y111 PolarHBondContact NH2-OH 3.02Å; R53-D117 IonicContact CZ-OD2 2.76Å; R53-D117 VanDerWaalsContact CZ-OD2 3.32Å; R53-D117 IonicContact NE-OD2 2.9Å; R53-D117 PolarHBondContact NE-OD2 2.89Å; R53-D117 IonicContact NH2-OD2 2.71Å; R53-D117 PolarHBondContact NH2-OD2 3.08Å; R53-D120 IonicContact CZ-OD1 3.43Å; R53-D120 IonicContact NH1-OD1 3.21Å; R53-D120 PolarHBondContact NH1-OD1 3.19Å; R53-D120 IonicContact NH2-OD1 2.75Å; R53-D120 PolarHBondContact NH2-OD1 3.13Å; R53-D120 IonicContact NH2-OD2 3.19Å; R53-D120 PolarHBondContact NH2-OD2 2.96Å
54P89.4Confident93.5Very high67 Ų6744.6 Ų44.644%0.43521%0.212SC..SBendtrans-63.1-27.9-172.922.2-31.7000113.5R50R50-P54 VanDerWaalsContact CD-O 3.23Å; R50-P54 WeakPolarHBondContact CD-O 3.31Å; R50-P54 PolarHBondContact NH1-O 3.48Å; R50-P54 WeakPolarHBondContact O-CA 3.36Å; R50-P54 WeakPolarHBondContact O-CB 3.47Å
55E90.1Very high93.8Very high116 Ų11640.3 Ų40.354%0.54219%0.188SC..SBendtrans-105.9-13.9-168.2-57.6-162.3133.300114.9R53 Y111R53-E55 PolarHBondContact O-N 3.12Å; E55-Y111 HydrophobicContact CB-CE2 3.84Å
56I93.8Very high94Very high0 Ų041.7 Ų41.70%020%0.199CC..SBendtrans-66.3144.6-173.174.4170.7000111.2A24 C27 L49 R50 R53 Y111A24-I56 HydrophobicContact CB-CD1 3.82Å; A24-I56 WeakPolarHBondContact O-CG2 3.24Å; C27-I56 HydrophobicContact CB-CD1 4.25Å; L49-I56 HydrophobicContact CD1-CD1 3.81Å; L49-I56 HydrophobicContact CD1-CG1 4.19Å; R50-I56 PolarHBondContact NH1-O 3.03Å; R53-I56 HydrophobicContact CB-CB 4.45Å; R53-I56 HydrophobicContact CB-CD1 3.89Å; R53-I56 HydrophobicContact CB-CG1 3.87Å; R53-I56 HydrophobicContact CB-CG2 3.87Å; R53-I56 HydrophobicContact CG-CD1 4.29Å; R53-I56 HydrophobicContact CG-CG2 4.31Å; I56-Y111 HydrophobicContact CG2-CD1 4.4Å; I56-Y111 HydrophobicContact CG2-CE1 3.7Å; I56-Y111 HydrophobicContact CG2-CE2 4.38Å
57P95.4Very high94Very high28 Ų2842.8 Ų42.818%0.18221%0.213CC..  trans-61.6139.5174.523.5-33.5000111.2H25 A26 C27 L107H25-P57 VanDerWaalsContact O-CD 3.31Å; H25-P57 WeakPolarHBondContact O-CD 3.36Å; H25-P57 WeakPolarHBondContact O-CG 3.49Å; A26-P57 CarbonylContact C-O 3.53Å; A26-P57 WeakPolarHBondContact CA-O 3.47Å; A26-P57 HydrophobicContact CB-CG 3.95Å; C27-P57 PolarHBondContact N-O 2.9Å; P57-L107 HydrophobicContact CB-CB 3.9Å; P57-L107 HydrophobicContact CB-CD1 4.34Å; P57-L107 HydrophobicContact CG-CB 3.93Å
58C96.8Very high94Very high3 Ų338.7 Ų38.72%0.0220%0.199CC..EExtended strand (participates in β ladder)trans-130.4126.9-179.9-176.20000109.7C27 Y46 L49 L84C27-C58 HydrophobicContact CB-CB 4.32Å; C27-C58 CarbonylContact O-C 3.57Å; C27-C58 WeakPolarHBondContact O-CA 3.42Å; Y46-C58 HydrophobicContact CE2-CB 4.36Å; L49-C58 HydrophobicContact CD2-CB 3.98Å; C58-L84 HydrophobicContact CB-CD2 4.35Å
59I98Very high94.1Very high3 Ų342.9 Ų42.92%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-108.8135.3176.8-56.9178.7000108.8C27 M29 V61 P85 Y87 L100 A104 L107C27-I59 PolarHBondContact O-N 3.39Å; M29-I59 PolarHBondContact N-O 3.04Å; I59-V61 HydrophobicContact CG2-CG2 4.18Å; I59-P85 HydrophobicContact CG1-CB 4.24Å; I59-P85 HydrophobicContact CG1-CG 4.42Å; I59-P85 HydrophobicContact CG2-CB 4.25Å; I59-Y87 HydrophobicContact CG2-CD2 3.52Å; I59-Y87 HydrophobicContact CG2-CE2 3.78Å; I59-L100 HydrophobicContact CB-CD1 4.47Å; I59-L100 HydrophobicContact CD1-CD1 4.24Å; I59-L100 HydrophobicContact CG2-CD1 3.68Å; I59-A104 HydrophobicContact CD1-CB 3.76Å; I59-L107 HydrophobicContact CD1-CD1 3.98Å; I59-L107 HydrophobicContact CG1-CD1 4.06Å
60V98.1Very high94.2Very high0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-99135.4175.2-177.80000110.1M29 F31 L42 F78 A79 L84 P85 F86 Y87M29-V60 CarbonylContact O-C 3.57Å; M29-V60 WeakPolarHBondContact O-CA 3.31Å; F31-V60 HydrophobicContact CD1-CG1 4.37Å; F31-V60 HydrophobicContact CE1-CG1 4.22Å; L42-V60 HydrophobicContact CD1-CG1 4.15Å; V60-F78 HydrophobicContact CG1-CD1 4.48Å; V60-F78 HydrophobicContact CG2-CD1 3.99Å; V60-F78 HydrophobicContact CG2-CE1 4.09Å; V60-A79 HydrophobicContact CB-CB 4.04Å; V60-A79 HydrophobicContact CG1-CB 4.48Å; V60-A79 HydrophobicContact CG2-CB 4.07Å; V60-L84 HydrophobicContact CG2-CB 4.14Å; V60-L84 HydrophobicContact CG2-CD1 3.74Å; V60-P85 PolarHBondContact N-O 3.44Å; V60-F86 HydrophobicContact CB-CD2 3.97Å; V60-F86 HydrophobicContact CG1-CD2 3.8Å; V60-F86 HydrophobicContact CG1-CE2 4.02Å; V60-F86 VanDerWaalsContact O-CA 3.27Å; V60-F86 WeakPolarHBondContact O-CA 3.33Å; V60-Y87 PolarHBondContact O-N 3.29Å
61V98.3Very high94.2Very high2 Ų247.2 Ų47.21%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-129.1124.1-174.8-176.60000110.9I28 M29 V30 F31 I59 Y87 V89 L100I28-V61 HydrophobicContact CG2-CG2 3.53Å; M29-V61 PolarHBondContact O-N 3.48Å; V30-V61 WeakPolarHBondContact CA-O 3.48Å; V30-V61 HydrophobicContact CB-CB 4.41Å; V30-V61 HydrophobicContact CG1-CB 4.24Å; V30-V61 HydrophobicContact CG1-CG1 4.25Å; V30-V61 HydrophobicContact CG2-CB 4.09Å; V30-V61 HydrophobicContact CG2-CG2 4.49Å; F31-V61 WeakPolarHBondContact CD1-O 3.46Å; F31-V61 PolarHBondContact N-O 3.41Å; I59-V61 HydrophobicContact CG2-CG2 4.18Å; V61-Y87 WeakPolarHBondContact CA-O 3.47Å; V61-V89 HydrophobicContact CG1-CB 3.72Å; V61-V89 HydrophobicContact CG1-CG1 4.49Å; V61-V89 HydrophobicContact CG1-CG2 3.65Å; V61-L100 HydrophobicContact CG1-CD2 4.09Å; V61-L100 HydrophobicContact CG2-CD1 3.61Å; V61-L100 HydrophobicContact CG2-CD2 3.63Å; V61-L100 HydrophobicContact CG2-CG 4.28Å
62A97.9Very high94.2Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-90.4100.8167.700000109.1F31 V33 F86 Y87 F88 V89F31-A62 HydrophobicContact CE1-CB 3.71Å; F31-A62 HydrophobicContact CE2-CB 4.19Å; F31-A62 HydrophobicContact CZ-CB 3.46Å; F31-A62 VanDerWaalsContact CZ-CB 3.46Å; V33-A62 HydrophobicContact CG1-CB 3.65Å; A62-F86 HydrophobicContact CB-CE1 4.26Å; A62-F86 HydrophobicContact CB-CE2 4.18Å; A62-F86 HydrophobicContact CB-CZ 3.54Å; A62-Y87 PolarHBondContact N-O 3.19Å; A62-F88 HydrophobicContact CB-CD1 3.54Å; A62-F88 HydrophobicContact CB-CE1 3.79Å; A62-V89 PolarHBondContact O-N 3.05Å
63N98Very high94.5Very high30 Ų3048.7 Ų48.716%0.1625%0.253CS..EExtended strand (participates in β ladder)trans-94.1161.9-177.8-170.728.1000112.2V30 F31 V33 V89 A91V30-N63 HydrophobicContact CG1-CB 3.5Å; F31-N63 PolarHBondContact O-N 3.22Å; V33-N63 WeakPolarHBondContact CG1-O 3.14Å; V33-N63 WeakPolarHBondContact CG2-O 3.08Å; V33-N63 PolarHBondContact N-O 2.96Å; V33-N63 VanDerWaalsContact N-O 3.09Å; N63-V89 CarbonylContact C-O 3.56Å; N63-V89 VanDerWaalsContact CA-O 3.24Å; N63-V89 WeakPolarHBondContact CA-O 3.27Å; N63-V89 PolarHBondContact OD1-O 3.47Å; N63-A91 PolarHBondContact OD1-N 3.36Å
64K97.2Very high94.6Very high77 Ų7754.3 Ų54.334%0.33528%0.277SS..  trans70.534.8179.3-47.8-167.8-174.3174.10114.8D32 V33 D66 A67 V89D32-K64 WeakPolarHBondContact OD2-CD 3.17Å; D32-K64 VanDerWaalsContact OD2-CE 3.23Å; D32-K64 WeakPolarHBondContact OD2-CE 3.46Å; D32-K64 IonicContact OD2-NZ 3.28Å; D32-K64 PolarHBondContact OD2-NZ 3.41Å; V33-K64 HydrophobicContact CG2-CB 4.4Å; V33-K64 VanDerWaalsContact CG2-O 3.3Å; V33-K64 WeakPolarHBondContact CG2-O 3.48Å; K64-D66 VanDerWaalsContact C-OD1 3.28Å; K64-D66 VanDerWaalsContact CA-OD1 3.26Å; K64-D66 WeakPolarHBondContact CA-OD1 3.18Å; K64-D66 PolarHBondContact O-N 3.28Å; K64-A67 PolarHBondContact O-N 3.47Å; K64-V89 PolarHBondContact N-O 3.09Å; K64-V89 VanDerWaalsContact N-O 3.1Å
65I97.1Very high94.6Very high5 Ų554.9 Ų54.93%0.02628%0.282CS..G310 helixtrans-67-18.9178.168-179.2000113.2V33 A67 D68 M69 V71 T72 F88 V89 T95V33-I65 HydrophobicContact CG1-CG2 4.34Å; I65-A67 PolarHBondContact O-N 2.91Å; I65-D68 CarbonylContact O-C 3.38Å; I65-D68 PolarHBondContact O-N 3.43Å; I65-M69 PolarHBondContact O-N 3.01Å; I65-V71 HydrophobicContact CG2-CG1 4.4Å; I65-T72 HydrophobicContact CB-CG2 4.47Å; I65-T72 HydrophobicContact CD1-CG2 4.31Å; I65-F88 HydrophobicContact CD1-CB 3.97Å; I65-F88 HydrophobicContact CG2-CB 4.09Å; I65-F88 HydrophobicContact CG2-CD1 3.82Å; I65-F88 HydrophobicContact CG2-CG 4.4Å; I65-V89 PolarHBondContact N-O 3.35Å; I65-T95 HydrophobicContact CD1-CG2 4.02Å
66D96.1Very high94.8Very high70 Ų7051.1 Ų51.137%0.37426%0.264SS..G310 helixtrans-57.4-3117653-76000112.6K64 S90K64-D66 VanDerWaalsContact C-OD1 3.28Å; K64-D66 VanDerWaalsContact CA-OD1 3.26Å; K64-D66 WeakPolarHBondContact CA-OD1 3.18Å; K64-D66 PolarHBondContact O-N 3.28Å; D66-S90 VanDerWaalsContact CG-OG 3.24Å; D66-S90 VanDerWaalsContact OD1-CB 3.23Å; D66-S90 WeakPolarHBondContact OD1-CB 3.23Å; D66-S90 PolarHBondContact OD1-OG 2.93Å
67A93.8Very high94.9Very high50 Ų5055.9 Ų55.941%0.41329%0.29SS..G310 helixtrans-74.5-26.8-178.500000113.9Q34 K64 I65Q34-A67 VanDerWaalsContact CD-CB 3.48Å; Q34-A67 HydrophobicContact CG-CB 4.24Å; K64-A67 PolarHBondContact O-N 3.47Å; I65-A67 PolarHBondContact O-N 2.91Å
68D93Very high94.9Very high70 Ų7055.2 Ų55.237%0.37428%0.284SS..  trans-157.697.2170.9178.712.6000110.2I65 K70 V71I65-D68 CarbonylContact O-C 3.38Å; I65-D68 PolarHBondContact O-N 3.43Å; D68-K70 PolarHBondContact O-N 3.21Å; D68-K70 VanDerWaalsContact OD1-CB 3.23Å; D68-K70 WeakPolarHBondContact OD1-CB 3.41Å; D68-K70 WeakPolarHBondContact OD1-CG 3.45Å; D68-K70 PolarHBondContact OD1-N 2.83Å; D68-V71 VanDerWaalsContact O-CB 3.29Å; D68-V71 WeakPolarHBondContact O-CB 3.28Å; D68-V71 PolarHBondContact O-N 3.47Å
69M91.3Very high94.8Very high120 Ų12055.2 Ų55.259%0.59129%0.285SS*.G310 helixtrans-58.6-22.9-178.7-153.584.173.600113I65 V71 T72I65-M69 PolarHBondContact O-N 3.01Å; M69-V71 PolarHBondContact O-N 3.02Å; M69-V71 VanDerWaalsContact O-N 3.15Å; M69-T72 WeakPolarHBondContact O-CB 3.41Å; M69-T72 WeakPolarHBondContact O-CG2 3.45Å; M69-T72 PolarHBondContact O-N 2.9Å; M69-T72 PolarHBondContact O-OG1 3.01Å
70K93.1Very high94.7Very high150 Ų15064.1 Ų64.165%0.65232%0.318SS*.G310 helixtrans-63.4-20.2178-60.4175.5-179.1174.60112.2D68 T72 Q73D68-K70 PolarHBondContact O-N 3.21Å; D68-K70 VanDerWaalsContact OD1-CB 3.23Å; D68-K70 WeakPolarHBondContact OD1-CB 3.41Å; D68-K70 WeakPolarHBondContact OD1-CG 3.45Å; D68-K70 PolarHBondContact OD1-N 2.83Å; K70-T72 PolarHBondContact O-N 3.28Å; K70-Q73 WeakPolarHBondContact O-CB 3.4Å; K70-Q73 PolarHBondContact O-N 2.73Å; K70-Q73 VanDerWaalsContact O-N 3.09Å
71V91.8Very high94.6Very high6 Ų672 Ų724%0.03635%0.352CS..G310 helixtrans-55.8-30.8171.6153.90000112.5V33 I65 D68 M69 Q73 K74 F76 F88V33-V71 HydrophobicContact CB-CG1 3.72Å; V33-V71 HydrophobicContact CB-CG2 4.23Å; V33-V71 HydrophobicContact CG1-CG1 3.62Å; V33-V71 HydrophobicContact CG2-CG1 4.11Å; V33-V71 HydrophobicContact CG2-CG2 4.3Å; I65-V71 HydrophobicContact CG2-CG1 4.4Å; D68-V71 VanDerWaalsContact O-CB 3.29Å; D68-V71 WeakPolarHBondContact O-CB 3.28Å; D68-V71 PolarHBondContact O-N 3.47Å; M69-V71 PolarHBondContact O-N 3.02Å; M69-V71 VanDerWaalsContact O-N 3.15Å; V71-Q73 PolarHBondContact O-N 2.72Å; V71-Q73 VanDerWaalsContact O-N 3.14Å; V71-K74 HydrophobicContact CG2-CD 4.22Å; V71-K74 VanDerWaalsContact O-CB 3.3Å; V71-K74 WeakPolarHBondContact O-CB 3.37Å; V71-K74 PolarHBondContact O-N 3.46Å; V71-F76 HydrophobicContact CG1-CE2 4.34Å; V71-F76 HydrophobicContact CG1-CZ 4.33Å; V71-F88 HydrophobicContact CG1-CD1 4.4Å; V71-F88 HydrophobicContact CG1-CE1 3.94Å
72T92.3Very high94.4Very high55 Ų5575.2 Ų75.234%0.33737%0.366SS..G310 helixtrans-63.8-18.4179.2620000113.3I65 M69 K70 F88I65-T72 HydrophobicContact CB-CG2 4.47Å; I65-T72 HydrophobicContact CD1-CG2 4.31Å; M69-T72 WeakPolarHBondContact O-CB 3.41Å; M69-T72 WeakPolarHBondContact O-CG2 3.45Å; M69-T72 PolarHBondContact O-N 2.9Å; M69-T72 PolarHBondContact O-OG1 3.01Å; K70-T72 PolarHBondContact O-N 3.28Å; T72-F88 HydrophobicContact CG2-CB 4.29Å; T72-F88 HydrophobicContact CG2-CD1 4.34Å; T72-F88 HydrophobicContact CG2-CD2 4.32Å; T72-F88 HydrophobicContact CG2-CG 4.08Å; T72-F88 WeakPolarHBondContact O-CE2 3.32Å
73Q93.2Very high94.3Very high171 Ų17182.3 Ų82.380%0.79940%0.404SS*.G310 helixtrans-87.2-9.2174.5-57.6-179.4400112.8K70 V71K70-Q73 WeakPolarHBondContact O-CB 3.4Å; K70-Q73 PolarHBondContact O-N 2.73Å; K70-Q73 VanDerWaalsContact O-N 3.09Å; V71-Q73 PolarHBondContact O-N 2.72Å; V71-Q73 VanDerWaalsContact O-N 3.14Å
74K91.4Very high94.3Very high117 Ų11782 Ų8251%0.50940%0.402SS..SBendtrans-80.6144.2178.1-62.8179.8-178.2167.90110.3V71 F76V71-K74 HydrophobicContact CG2-CD 4.22Å; V71-K74 VanDerWaalsContact O-CB 3.3Å; V71-K74 WeakPolarHBondContact O-CB 3.37Å; V71-K74 PolarHBondContact O-N 3.46Å; K74-F76 HydrophobicContact CB-CE2 4.02Å; K74-F76 HydrophobicContact CB-CZ 4.35Å
75S90.8Very high94.3Very high79 Ų7980.9 Ų80.955%0.55240%0.403SS*.  trans-92.4131.9172.9-175.60000111.1N77S75-N77 PolarHBondContact OG-OD1 3.39Å
76F93.4Very high94.3Very high37 Ų3783.6 Ų83.616%0.16242%0.415CS..  trans-112.2108.6173.5-65-86.6000109.4F31 Y39 V71 K74 F78 F86 F88F31-F76 AromaticContact CE2-CD1 3.98Å; F31-F76 HydrophobicContact CE2-CD1 3.98Å; F31-F76 AromaticContact CE2-CE1 3.58Å; F31-F76 HydrophobicContact CE2-CE1 3.58Å; F31-F76 HydrophobicContact CE2-CZ 4.08Å; F31-F76 AromaticContact CZ-CD1 3.58Å; F31-F76 HydrophobicContact CZ-CD1 3.58Å; F31-F76 HydrophobicContact CZ-CD2 4.37Å; F31-F76 AromaticContact CZ-CE1 3.6Å; F31-F76 HydrophobicContact CZ-CE1 3.6Å; F31-F76 HydrophobicContact CZ-CE2 4.41Å; F31-F76 AromaticContact CZ-CG 3.97Å; F31-F76 HydrophobicContact CZ-CG 3.97Å; F31-F76 HydrophobicContact CZ-CZ 4.03Å; Y39-F76 AromaticContact CD2-CD1 3.81Å; Y39-F76 HydrophobicContact CD2-CD1 3.81Å; Y39-F76 HydrophobicContact CD2-CE1 4.39Å; Y39-F76 HydrophobicContact CE2-CB 3.94Å; Y39-F76 AromaticContact CE2-CD1 3.52Å; Y39-F76 HydrophobicContact CE2-CD1 3.52Å; Y39-F76 HydrophobicContact CE2-CE1 4.5Å; Y39-F76 HydrophobicContact CE2-CG 4.17Å; Y39-F76 HydrophobicContact CG-CD1 4.49Å; Y39-F76 AromaticContact CZ-CD1 3.97Å; V71-F76 HydrophobicContact CG1-CE2 4.34Å; V71-F76 HydrophobicContact CG1-CZ 4.33Å; K74-F76 HydrophobicContact CB-CE2 4.02Å; K74-F76 HydrophobicContact CB-CZ 4.35Å; F76-F78 VanDerWaalsContact C-N 3.32Å; F76-F78 PolarHBondContact O-N 2.95Å; F76-F86 HydrophobicContact CB-CE2 3.89Å; F76-F86 HydrophobicContact CB-CZ 3.94Å; F76-F86 HydrophobicContact CD2-CE1 4.3Å; F76-F86 HydrophobicContact CD2-CE2 4.35Å; F76-F86 AromaticContact CD2-CZ 3.59Å; F76-F86 HydrophobicContact CD2-CZ 3.59Å; F76-F86 HydrophobicContact CE2-CZ 4.39Å; F76-F86 HydrophobicContact CG-CE2 4.27Å; F76-F86 AromaticContact CG-CZ 3.96Å; F76-F86 HydrophobicContact CG-CZ 3.96Å; F76-F88 HydrophobicContact CD2-CE1 4.06Å; F76-F88 HydrophobicContact CD2-CZ 4.02Å; F76-F88 AromaticContact CE2-CE1 3.64Å; F76-F88 HydrophobicContact CE2-CE1 3.64Å; F76-F88 AromaticContact CE2-CZ 3.9Å; F76-F88 HydrophobicContact CE2-CZ 3.9Å
77N95.4Very high94.4Very high101 Ų10182.1 Ų82.154%0.5440%0.404SS..Hα-helixtrans-76.8-15.8-170.7-68.1-17.6000114.2Y39 S75 R80 K81Y39-N77 PolarHBondContact OH-N 3.03Å; S75-N77 PolarHBondContact OG-OD1 3.39Å; N77-R80 PolarHBondContact O-N 3.06Å; N77-K81 WeakPolarHBondContact O-CB 3.34Å; N77-K81 PolarHBondContact O-N 3.15Å
78F96.6Very high94.6Very high13 Ų1381.7 Ų81.76%0.05739%0.393CS..Hα-helixtrans-58.7-52.6-176-178.1-91.4000111.8Y39 L42 S43 Y46 V60 F76 R80 K81 F82 L84Y39-F78 HydrophobicContact CE2-CB 3.92Å; Y39-F78 WeakPolarHBondContact OH-CB 3.45Å; Y39-F78 PolarHBondContact OH-N 2.78Å; L42-F78 HydrophobicContact CB-CD1 4.15Å; L42-F78 HydrophobicContact CB-CD2 4.19Å; L42-F78 HydrophobicContact CB-CE1 3.99Å; L42-F78 HydrophobicContact CB-CE2 4.03Å; L42-F78 HydrophobicContact CB-CG 4.26Å; L42-F78 HydrophobicContact CB-CZ 3.93Å; L42-F78 HydrophobicContact CD1-CB 4.44Å; L42-F78 HydrophobicContact CD1-CD1 4.01Å; L42-F78 HydrophobicContact CD1-CG 4.16Å; L42-F78 WeakPolarHBondContact O-CZ 3.42Å; S43-F78 WeakPolarHBondContact OG-CE2 3.36Å; Y46-F78 HydrophobicContact CD1-CZ 4.28Å; Y46-F78 AromaticContact CG-CZ 3.92Å; Y46-F78 HydrophobicContact CG-CZ 3.92Å; V60-F78 HydrophobicContact CG1-CD1 4.48Å; V60-F78 HydrophobicContact CG2-CD1 3.99Å; V60-F78 HydrophobicContact CG2-CE1 4.09Å; F76-F78 VanDerWaalsContact C-N 3.32Å; F76-F78 PolarHBondContact O-N 2.95Å; F78-R80 VanDerWaalsContact C-N 3.33Å; F78-R80 PolarHBondContact O-N 3.16Å; F78-K81 WeakPolarHBondContact O-CB 3.39Å; F78-K81 PolarHBondContact O-N 3.48Å; F78-F82 HydrophobicContact CD1-CD2 4.44Å; F78-F82 HydrophobicContact CD2-CD2 4.18Å; F78-F82 AromaticContact CD2-CE2 3.9Å; F78-F82 HydrophobicContact CD2-CE2 3.9Å; F78-F82 HydrophobicContact CE1-CD2 4.12Å; F78-F82 HydrophobicContact CE1-CE2 4.5Å; F78-F82 AromaticContact CE2-CD2 3.84Å; F78-F82 HydrophobicContact CE2-CD2 3.84Å; F78-F82 AromaticContact CE2-CE2 3.41Å; F78-F82 HydrophobicContact CE2-CE2 3.41Å; F78-F82 VanDerWaalsContact CE2-CE2 3.41Å; F78-F82 HydrophobicContact CE2-CZ 4.49Å; F78-F82 HydrophobicContact CG-CD2 4.45Å; F78-F82 AromaticContact CZ-CD2 3.79Å; F78-F82 HydrophobicContact CZ-CD2 3.79Å; F78-F82 AromaticContact CZ-CE2 3.75Å; F78-F82 HydrophobicContact CZ-CE2 3.75Å; F78-F82 WeakPolarHBondContact O-CD2 3.49Å; F78-F82 PolarHBondContact O-N 3.28Å; F78-L84 HydrophobicContact CE1-CD1 4.26Å
79A95.1Very high94.8Very high4 Ų478.6 Ų78.63%0.03338%0.377CS..Hα-helixtrans-62.4-41.3179.100000111.8V60 K81 F82 N83 L84 F86V60-A79 HydrophobicContact CB-CB 4.04Å; V60-A79 HydrophobicContact CG1-CB 4.48Å; V60-A79 HydrophobicContact CG2-CB 4.07Å; A79-K81 PolarHBondContact O-N 2.79Å; A79-F82 CarbonylContact O-C 3.43Å; A79-F82 PolarHBondContact O-N 3.3Å; A79-N83 WeakPolarHBondContact O-CA 3.33Å; A79-N83 PolarHBondContact O-N 2.94Å; A79-L84 HydrophobicContact CB-CB 4.34Å; A79-L84 PolarHBondContact O-N 3.22Å; A79-F86 HydrophobicContact CB-CB 3.83Å; A79-F86 HydrophobicContact CB-CD2 3.77Å; A79-F86 HydrophobicContact CB-CG 4.19Å
80R94.4Very high95.1Very high190 Ų19072.9 Ų72.972%0.71735%0.349SS*.Hα-helixtrans-62.4-41.8176.4-170.5-177.7-65-172.70.6112.4N77 F78 F82 N83N77-R80 PolarHBondContact O-N 3.06Å; F78-R80 VanDerWaalsContact C-N 3.33Å; F78-R80 PolarHBondContact O-N 3.16Å; R80-F82 VanDerWaalsContact C-N 3.26Å; R80-F82 PolarHBondContact O-N 3.16Å; R80-N83 PolarHBondContact O-N 3.3Å
81K96.3Very high95.3Very high164 Ų16469 Ų6971%0.71335%0.345SS*.Hα-helixtrans-59.2-38.2-180177.9-179.6174.9-178.10112N77 F78 A79N77-K81 WeakPolarHBondContact O-CB 3.34Å; N77-K81 PolarHBondContact O-N 3.15Å; F78-K81 WeakPolarHBondContact O-CB 3.39Å; F78-K81 PolarHBondContact O-N 3.48Å; A79-K81 PolarHBondContact O-N 2.79Å
82F95.2Very high95.5Very high70 Ų7072.8 Ų72.831%0.30738%0.376SS..THydrogen-bonded Turntrans-102.49.3-178.5-64.5-70.5000113.3Y46 F78 A79 R80 L84Y46-F82 HydrophobicContact CD1-CD1 4.21Å; Y46-F82 HydrophobicContact CD1-CD2 4.29Å; Y46-F82 HydrophobicContact CD1-CE1 4.13Å; Y46-F82 HydrophobicContact CD1-CE2 4.24Å; Y46-F82 HydrophobicContact CD1-CG 4.28Å; Y46-F82 HydrophobicContact CD1-CZ 4.14Å; Y46-F82 HydrophobicContact CE1-CB 4.25Å; Y46-F82 AromaticContact CE1-CD1 3.47Å; Y46-F82 HydrophobicContact CE1-CD1 3.47Å; Y46-F82 VanDerWaalsContact CE1-CD1 3.47Å; Y46-F82 HydrophobicContact CE1-CD2 4.18Å; Y46-F82 AromaticContact CE1-CE1 3.73Å; Y46-F82 HydrophobicContact CE1-CE1 3.73Å; Y46-F82 HydrophobicContact CE1-CE2 4.41Å; Y46-F82 AromaticContact CE1-CG 3.7Å; Y46-F82 HydrophobicContact CE1-CG 3.7Å; Y46-F82 HydrophobicContact CE1-CZ 4.2Å; F78-F82 HydrophobicContact CD1-CD2 4.44Å; F78-F82 HydrophobicContact CD2-CD2 4.18Å; F78-F82 AromaticContact CD2-CE2 3.9Å; F78-F82 HydrophobicContact CD2-CE2 3.9Å; F78-F82 HydrophobicContact CE1-CD2 4.12Å; F78-F82 HydrophobicContact CE1-CE2 4.5Å; F78-F82 AromaticContact CE2-CD2 3.84Å; F78-F82 HydrophobicContact CE2-CD2 3.84Å; F78-F82 AromaticContact CE2-CE2 3.41Å; F78-F82 HydrophobicContact CE2-CE2 3.41Å; F78-F82 VanDerWaalsContact CE2-CE2 3.41Å; F78-F82 HydrophobicContact CE2-CZ 4.49Å; F78-F82 HydrophobicContact CG-CD2 4.45Å; F78-F82 AromaticContact CZ-CD2 3.79Å; F78-F82 HydrophobicContact CZ-CD2 3.79Å; F78-F82 AromaticContact CZ-CE2 3.75Å; F78-F82 HydrophobicContact CZ-CE2 3.75Å; F78-F82 WeakPolarHBondContact O-CD2 3.49Å; F78-F82 PolarHBondContact O-N 3.28Å; A79-F82 CarbonylContact O-C 3.43Å; A79-F82 PolarHBondContact O-N 3.3Å; R80-F82 VanDerWaalsContact C-N 3.26Å; R80-F82 PolarHBondContact O-N 3.16Å; F82-L84 VanDerWaalsContact C-N 3.28Å; F82-L84 HydrophobicContact CB-CD1 3.82Å; F82-L84 HydrophobicContact CB-CD2 4.32Å; F82-L84 HydrophobicContact CB-CG 3.7Å; F82-L84 PolarHBondContact O-N 3.05Å
83N95.4Very high95.7Very high150 Ų15074.6 Ų74.680%0.80238%0.384SS*.THydrogen-bonded Turntrans51.543.3-177.1-16154.9000113.7A79 R80A79-N83 WeakPolarHBondContact O-CA 3.33Å; A79-N83 PolarHBondContact O-N 2.94Å; R80-N83 PolarHBondContact O-N 3.3Å
84L96.8Very high95.8Very high23 Ų2368.3 Ų68.312%0.1237%0.365CS..  trans-97.5144.4-178-54.5176.6000111.2Y46 C58 V60 F78 A79 F82Y46-L84 HydrophobicContact CD2-CD1 4.15Å; Y46-L84 HydrophobicContact CE2-CD1 3.71Å; Y46-L84 HydrophobicContact CE2-CD2 4.25Å; C58-L84 HydrophobicContact CB-CD2 4.35Å; V60-L84 HydrophobicContact CG2-CB 4.14Å; V60-L84 HydrophobicContact CG2-CD1 3.74Å; F78-L84 HydrophobicContact CE1-CD1 4.26Å; A79-L84 HydrophobicContact CB-CB 4.34Å; A79-L84 PolarHBondContact O-N 3.22Å; F82-L84 VanDerWaalsContact C-N 3.28Å; F82-L84 HydrophobicContact CB-CD1 3.82Å; F82-L84 HydrophobicContact CB-CD2 4.32Å; F82-L84 HydrophobicContact CB-CG 3.7Å; F82-L84 PolarHBondContact O-N 3.05Å
85P97.3Very high96.1Very high54 Ų5465.2 Ų65.235%0.35136%0.356SS..  trans-56.5142.5167.8-22.733.3000111.4I59 V60 Y87 L107I59-P85 HydrophobicContact CG1-CB 4.24Å; I59-P85 HydrophobicContact CG1-CG 4.42Å; I59-P85 HydrophobicContact CG2-CB 4.25Å; V60-P85 PolarHBondContact N-O 3.44Å; P85-Y87 HydrophobicContact CB-CE2 4.11Å; P85-L107 HydrophobicContact CG-CD1 4.4Å
86F97.8Very high96.4Very high61 Ų6164.9 Ų64.927%0.26835%0.348SS..EExtended strand (participates in β ladder)trans-133.7133.9-176.4-177.5-91000111.9F31 V60 A62 F76 A79 F88F31-F86 AromaticContact CE1-CE2 3.9Å; F31-F86 HydrophobicContact CE1-CE2 3.9Å; F31-F86 HydrophobicContact CE1-CZ 4.39Å; F31-F86 HydrophobicContact CZ-CE2 4.28Å; F31-F86 HydrophobicContact CZ-CZ 4.38Å; V60-F86 HydrophobicContact CB-CD2 3.97Å; V60-F86 HydrophobicContact CG1-CD2 3.8Å; V60-F86 HydrophobicContact CG1-CE2 4.02Å; V60-F86 VanDerWaalsContact O-CA 3.27Å; V60-F86 WeakPolarHBondContact O-CA 3.33Å; A62-F86 HydrophobicContact CB-CE1 4.26Å; A62-F86 HydrophobicContact CB-CE2 4.18Å; A62-F86 HydrophobicContact CB-CZ 3.54Å; F76-F86 HydrophobicContact CB-CE2 3.89Å; F76-F86 HydrophobicContact CB-CZ 3.94Å; F76-F86 HydrophobicContact CD2-CE1 4.3Å; F76-F86 HydrophobicContact CD2-CE2 4.35Å; F76-F86 AromaticContact CD2-CZ 3.59Å; F76-F86 HydrophobicContact CD2-CZ 3.59Å; F76-F86 HydrophobicContact CE2-CZ 4.39Å; F76-F86 HydrophobicContact CG-CE2 4.27Å; F76-F86 AromaticContact CG-CZ 3.96Å; F76-F86 HydrophobicContact CG-CZ 3.96Å; A79-F86 HydrophobicContact CB-CB 3.83Å; A79-F86 HydrophobicContact CB-CD2 3.77Å; A79-F86 HydrophobicContact CB-CG 4.19Å; F86-F88 HydrophobicContact CE1-CD1 4.12Å; F86-F88 HydrophobicContact CE1-CD2 4.03Å; F86-F88 AromaticContact CE1-CE1 3.83Å; F86-F88 HydrophobicContact CE1-CE1 3.83Å; F86-F88 AromaticContact CE1-CE2 3.75Å; F86-F88 HydrophobicContact CE1-CE2 3.75Å; F86-F88 HydrophobicContact CE1-CG 4.21Å; F86-F88 AromaticContact CE1-CZ 3.64Å; F86-F88 HydrophobicContact CE1-CZ 3.64Å; F86-F88 HydrophobicContact CZ-CD1 4.44Å; F86-F88 HydrophobicContact CZ-CE1 4.03Å; F86-F88 HydrophobicContact CZ-CZ 4.15Å
87Y97.9Very high96.6Very high39 Ų3964.9 Ų64.915%0.15335%0.351CS..EExtended strand (participates in β ladder)trans-130.1139.8180-67.6-105.8000111.7I59 V60 V61 A62 P85 K99 L100 D103I59-Y87 HydrophobicContact CG2-CD2 3.52Å; I59-Y87 HydrophobicContact CG2-CE2 3.78Å; V60-Y87 PolarHBondContact O-N 3.29Å; V61-Y87 WeakPolarHBondContact CA-O 3.47Å; A62-Y87 PolarHBondContact N-O 3.19Å; P85-Y87 HydrophobicContact CB-CE2 4.11Å; Y87-K99 HydrophobicContact CE1-CD 4.18Å; Y87-K99 HydrophobicContact CE1-CG 4.2Å; Y87-L100 HydrophobicContact CD2-CD1 4Å; Y87-L100 HydrophobicContact CE2-CD1 4.48Å; Y87-L100 HydrophobicContact CG-CD1 4.16Å; Y87-D103 WeakPolarHBondContact OH-CB 3.45Å; Y87-D103 PolarHBondContact OH-OD2 3.15Å
88F98.1Very high96.6Very high41 Ų4165 Ų6518%0.1836%0.356CS..EExtended strand (participates in β ladder)trans-90.3124.9161.3-74.1-65.2000108.9A62 I65 V71 T72 F76 F86 N96A62-F88 HydrophobicContact CB-CD1 3.54Å; A62-F88 HydrophobicContact CB-CE1 3.79Å; I65-F88 HydrophobicContact CD1-CB 3.97Å; I65-F88 HydrophobicContact CG2-CB 4.09Å; I65-F88 HydrophobicContact CG2-CD1 3.82Å; I65-F88 HydrophobicContact CG2-CG 4.4Å; V71-F88 HydrophobicContact CG1-CD1 4.4Å; V71-F88 HydrophobicContact CG1-CE1 3.94Å; T72-F88 HydrophobicContact CG2-CB 4.29Å; T72-F88 HydrophobicContact CG2-CD1 4.34Å; T72-F88 HydrophobicContact CG2-CD2 4.32Å; T72-F88 HydrophobicContact CG2-CG 4.08Å; T72-F88 WeakPolarHBondContact O-CE2 3.32Å; F76-F88 HydrophobicContact CD2-CE1 4.06Å; F76-F88 HydrophobicContact CD2-CZ 4.02Å; F76-F88 AromaticContact CE2-CE1 3.64Å; F76-F88 HydrophobicContact CE2-CE1 3.64Å; F76-F88 AromaticContact CE2-CZ 3.9Å; F76-F88 HydrophobicContact CE2-CZ 3.9Å; F86-F88 HydrophobicContact CE1-CD1 4.12Å; F86-F88 HydrophobicContact CE1-CD2 4.03Å; F86-F88 AromaticContact CE1-CE1 3.83Å; F86-F88 HydrophobicContact CE1-CE1 3.83Å; F86-F88 AromaticContact CE1-CE2 3.75Å; F86-F88 HydrophobicContact CE1-CE2 3.75Å; F86-F88 HydrophobicContact CE1-CG 4.21Å; F86-F88 AromaticContact CE1-CZ 3.64Å; F86-F88 HydrophobicContact CE1-CZ 3.64Å; F86-F88 HydrophobicContact CZ-CD1 4.44Å; F86-F88 HydrophobicContact CZ-CE1 4.03Å; F86-F88 HydrophobicContact CZ-CZ 4.15Å; F88-N96 WeakPolarHBondContact O-CB 3.32Å; F88-N96 PolarHBondContact O-ND2 2.86Å
89V98.1Very high96.7Very high5 Ų570 Ų703%0.0338%0.377CS..EExtended strand (participates in β ladder)trans-135.4148.6-174.1172.50000110.3V61 A62 N63 K64 I65 T95 N96 V97 L100V61-V89 HydrophobicContact CG1-CB 3.72Å; V61-V89 HydrophobicContact CG1-CG1 4.49Å; V61-V89 HydrophobicContact CG1-CG2 3.65Å; A62-V89 PolarHBondContact O-N 3.05Å; N63-V89 CarbonylContact C-O 3.56Å; N63-V89 VanDerWaalsContact CA-O 3.24Å; N63-V89 WeakPolarHBondContact CA-O 3.27Å; N63-V89 PolarHBondContact OD1-O 3.47Å; K64-V89 PolarHBondContact N-O 3.09Å; K64-V89 VanDerWaalsContact N-O 3.1Å; I65-V89 PolarHBondContact N-O 3.35Å; V89-T95 WeakPolarHBondContact CA-O 3.5Å; V89-T95 WeakPolarHBondContact CG1-O 3.45Å; V89-N96 HydrophobicContact CG2-CB 4.01Å; V89-V97 HydrophobicContact CG1-CG2 3.61Å; V89-L100 HydrophobicContact CG2-CB 4.43Å; V89-L100 HydrophobicContact CG2-CD2 4.07Å
90S97.6Very high96.8Very high0 Ų070.2 Ų70.20%038%0.377CS..  trans-121.9116.1156.6173.10000108.9D66 A92 D93 G94 T95 V97D66-S90 VanDerWaalsContact CG-OG 3.24Å; D66-S90 VanDerWaalsContact OD1-CB 3.23Å; D66-S90 WeakPolarHBondContact OD1-CB 3.23Å; D66-S90 PolarHBondContact OD1-OG 2.93Å; S90-A92 PolarHBondContact O-N 2.92Å; S90-A92 PolarHBondContact OG-N 2.92Å; S90-A92 VanDerWaalsContact OG-N 3.17Å; S90-D93 WeakPolarHBondContact CB-OD1 3.4Å; S90-D93 PolarHBondContact OG-N 3.34Å; S90-D93 PolarHBondContact OG-OD1 3.31Å; S90-G94 CarbonylContact O-C 3.55Å; S90-G94 WeakPolarHBondContact O-CA 3.3Å; S90-G94 PolarHBondContact O-N 3.43Å; S90-T95 PolarHBondContact N-O 2.85Å; S90-T95 VanDerWaalsContact N-O 3.08Å; S90-T95 PolarHBondContact O-N 2.92Å; S90-T95 VanDerWaalsContact O-N 3.14Å; S90-V97 WeakPolarHBondContact O-CG2 3.47Å
91A96.7Very high96.9Very high69 Ų6964.8 Ų64.857%0.5736%0.359SS*.THydrogen-bonded Turntrans-69.1-20.9170.600000112.3N63N63-A91 PolarHBondContact OD1-N 3.36Å
92A96.5Very high96.9Very high85 Ų8560.8 Ų60.870%0.70235%0.346SS*.THydrogen-bonded Turntrans-75.7-42.4-176.400000112.3S90S90-A92 PolarHBondContact O-N 2.92Å; S90-A92 PolarHBondContact OG-N 2.92Å; S90-A92 VanDerWaalsContact OG-N 3.17Å
93D94.9Very high97Very high93 Ų9359.1 Ų59.150%0.49734%0.34SS..THydrogen-bonded Turntrans-105.5-4.2179.269.517.4000113.6S90 T95S90-D93 WeakPolarHBondContact CB-OD1 3.4Å; S90-D93 PolarHBondContact OG-N 3.34Å; S90-D93 PolarHBondContact OG-OD1 3.31Å; D93-T95 VanDerWaalsContact CG-OG1 3.26Å; D93-T95 WeakPolarHBondContact OD1-CB 3.43Å; D93-T95 PolarHBondContact OD1-N 2.77Å; D93-T95 PolarHBondContact OD1-OG1 3.05Å; D93-T95 PolarHBondContact OD2-OG1 3.39Å
94G96.3Very high97.1Very high39 Ų3952.2 Ų52.240%0.40230%0.304SS..  trans85.71.8179.300000114.9S90 N96 V97S90-G94 CarbonylContact O-C 3.55Å; S90-G94 WeakPolarHBondContact O-CA 3.3Å; S90-G94 PolarHBondContact O-N 3.43Å; G94-N96 PolarHBondContact O-N 2.87Å; G94-N96 VanDerWaalsContact O-N 3.15Å; G94-V97 PolarHBondContact O-N 3.38Å; G94-V97 VanDerWaalsContact O-N 3.14Å
95T97.4Very high97.1Very high53 Ų5353.7 Ų53.733%0.32531%0.312SS..THydrogen-bonded Turntrans-54.7120.5-179-64.30000111.1I65 V89 S90 D93 V97I65-T95 HydrophobicContact CD1-CG2 4.02Å; V89-T95 WeakPolarHBondContact CA-O 3.5Å; V89-T95 WeakPolarHBondContact CG1-O 3.45Å; S90-T95 PolarHBondContact N-O 2.85Å; S90-T95 VanDerWaalsContact N-O 3.08Å; S90-T95 PolarHBondContact O-N 2.92Å; S90-T95 VanDerWaalsContact O-N 3.14Å; D93-T95 VanDerWaalsContact CG-OG1 3.26Å; D93-T95 WeakPolarHBondContact OD1-CB 3.43Å; D93-T95 PolarHBondContact OD1-N 2.77Å; D93-T95 PolarHBondContact OD1-OG1 3.05Å; D93-T95 PolarHBondContact OD2-OG1 3.39Å; T95-V97 PolarHBondContact O-N 3.3Å; T95-V97 VanDerWaalsContact O-N 3.08Å
96N97Very high97Very high72 Ų7257.6 Ų57.639%0.38532%0.323SS..THydrogen-bonded Turntrans60.55.1179.7-65.3-37.1000116.7F88 V89 G94 K99 L100F88-N96 WeakPolarHBondContact O-CB 3.32Å; F88-N96 PolarHBondContact O-ND2 2.86Å; V89-N96 HydrophobicContact CG2-CB 4.01Å; G94-N96 PolarHBondContact O-N 2.87Å; G94-N96 VanDerWaalsContact O-N 3.15Å; N96-K99 PolarHBondContact O-N 3.27Å; N96-L100 WeakPolarHBondContact O-CB 3.12Å; N96-L100 PolarHBondContact O-N 2.84Å
97V97.4Very high96.9Very high37 Ų3757.8 Ų57.822%0.22433%0.326CS..Hα-helixtrans-61.5-52.9-179.9175.80000110.8V89 S90 G94 T95 K99 L100 F101V89-V97 HydrophobicContact CG1-CG2 3.61Å; S90-V97 WeakPolarHBondContact O-CG2 3.47Å; G94-V97 PolarHBondContact O-N 3.38Å; G94-V97 VanDerWaalsContact O-N 3.14Å; T95-V97 PolarHBondContact O-N 3.3Å; T95-V97 VanDerWaalsContact O-N 3.08Å; V97-K99 VanDerWaalsContact C-N 3.29Å; V97-K99 PolarHBondContact O-N 3.21Å; V97-L100 WeakPolarHBondContact O-CB 3.19Å; V97-L100 PolarHBondContact O-N 2.73Å; V97-F101 HydrophobicContact CG1-CD2 3.83Å; V97-F101 HydrophobicContact CG1-CE2 3.91Å; V97-F101 WeakPolarHBondContact O-CD2 3.35Å; V97-F101 PolarHBondContact O-N 3.04Å
98V96.7Very high96.7Very high104 Ų10457 Ų5763%0.6333%0.327SS*.Hα-helixtrans-59.5-41.2-178.4177.30000111.7N102V98-N102 WeakPolarHBondContact O-CB 3.38Å; V98-N102 VanDerWaalsContact O-CG 3.32Å; V98-N102 PolarHBondContact O-N 3.09Å; V98-N102 PolarHBondContact O-ND2 2.63Å
99K97.2Very high96.4Very high118 Ų11858.2 Ų58.251%0.51334%0.338SS..Hα-helixtrans-63.3-48.5177.7-174.6-177178.4-174.50111.3Y87 N96 V97 F101 N102 D103Y87-K99 HydrophobicContact CE1-CD 4.18Å; Y87-K99 HydrophobicContact CE1-CG 4.2Å; N96-K99 PolarHBondContact O-N 3.27Å; V97-K99 VanDerWaalsContact C-N 3.29Å; V97-K99 PolarHBondContact O-N 3.21Å; K99-F101 PolarHBondContact O-N 3.29Å; K99-N102 PolarHBondContact O-N 2.81Å; K99-D103 PolarHBondContact O-N 3.03Å
100L97.8Very high96.1Very high7 Ų760.6 Ų60.64%0.03736%0.359CS..Hα-helixtrans-54.2-51.9178167.366000111.3I28 I59 V61 Y87 V89 N96 V97 D103 A104I28-L100 HydrophobicContact CD1-CG 4.42Å; I28-L100 HydrophobicContact CG2-CD1 4.33Å; I28-L100 HydrophobicContact CG2-CD2 4.16Å; I59-L100 HydrophobicContact CB-CD1 4.47Å; I59-L100 HydrophobicContact CD1-CD1 4.24Å; I59-L100 HydrophobicContact CG2-CD1 3.68Å; V61-L100 HydrophobicContact CG1-CD2 4.09Å; V61-L100 HydrophobicContact CG2-CD1 3.61Å; V61-L100 HydrophobicContact CG2-CD2 3.63Å; V61-L100 HydrophobicContact CG2-CG 4.28Å; Y87-L100 HydrophobicContact CD2-CD1 4Å; Y87-L100 HydrophobicContact CE2-CD1 4.48Å; Y87-L100 HydrophobicContact CG-CD1 4.16Å; V89-L100 HydrophobicContact CG2-CB 4.43Å; V89-L100 HydrophobicContact CG2-CD2 4.07Å; N96-L100 WeakPolarHBondContact O-CB 3.12Å; N96-L100 PolarHBondContact O-N 2.84Å; V97-L100 WeakPolarHBondContact O-CB 3.19Å; V97-L100 PolarHBondContact O-N 2.73Å; L100-D103 PolarHBondContact O-N 2.95Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-A104 PolarHBondContact O-N 3.34Å
101F96.7Very high95.9Very high77 Ų7761.9 Ų61.934%0.33836%0.364SS..Hα-helixtrans-65.6-41.6-177.7-84.6-87.2000112.1F4 I28 V97 K99 D103 A104 I105F4-F101 HydrophobicContact CD1-CD1 4.06Å; F4-F101 AromaticContact CD1-CE1 3.71Å; F4-F101 HydrophobicContact CD1-CE1 3.71Å; F4-F101 AromaticContact CE1-CD1 3.45Å; F4-F101 HydrophobicContact CE1-CD1 3.45Å; F4-F101 VanDerWaalsContact CE1-CD1 3.45Å; F4-F101 AromaticContact CE1-CE1 3.62Å; F4-F101 HydrophobicContact CE1-CE1 3.62Å; F4-F101 HydrophobicContact CG-CE1 4.4Å; F4-F101 AromaticContact CZ-CD1 3.78Å; F4-F101 HydrophobicContact CZ-CD1 3.78Å; F4-F101 HydrophobicContact CZ-CE1 4.23Å; I28-F101 HydrophobicContact CD1-CD1 4.39Å; I28-F101 HydrophobicContact CD1-CE1 4.24Å; V97-F101 HydrophobicContact CG1-CD2 3.83Å; V97-F101 HydrophobicContact CG1-CE2 3.91Å; V97-F101 WeakPolarHBondContact O-CD2 3.35Å; V97-F101 PolarHBondContact O-N 3.04Å; K99-F101 PolarHBondContact O-N 3.29Å; F101-D103 VanDerWaalsContact C-N 3.34Å; F101-D103 PolarHBondContact O-N 3.39Å; F101-A104 PolarHBondContact O-N 3.08Å; F101-I105 WeakPolarHBondContact O-CD1 3.45Å; F101-I105 WeakPolarHBondContact O-CG1 3.16Å; F101-I105 PolarHBondContact O-N 3.44Å
102N96.9Very high95.4Very high79 Ų7965.1 Ų65.142%0.42237%0.365SS..Hα-helixtrans-60.4-42.9176.1-78.4-28.8000112.5V98 K99 I105 K106V98-N102 WeakPolarHBondContact O-CB 3.38Å; V98-N102 VanDerWaalsContact O-CG 3.32Å; V98-N102 PolarHBondContact O-N 3.09Å; V98-N102 PolarHBondContact O-ND2 2.63Å; K99-N102 PolarHBondContact O-N 2.81Å; N102-I105 PolarHBondContact O-N 3.14Å; N102-K106 VanDerWaalsContact O-CG 3.32Å; N102-K106 WeakPolarHBondContact O-CG 3.23Å; N102-K106 PolarHBondContact O-N 3.01Å; N102-K106 VanDerWaalsContact O-N 3.09Å
103D97.5Very high94.9Very high35 Ų3568.5 Ų68.519%0.18737%0.366CS..Hα-helixtrans-70.6-37.1179.2-67.9-18000111.4Y87 K99 L100 F101 K106 L107Y87-D103 WeakPolarHBondContact OH-CB 3.45Å; Y87-D103 PolarHBondContact OH-OD2 3.15Å; K99-D103 PolarHBondContact O-N 3.03Å; L100-D103 PolarHBondContact O-N 2.95Å; F101-D103 VanDerWaalsContact C-N 3.34Å; F101-D103 PolarHBondContact O-N 3.39Å; D103-K106 PolarHBondContact O-N 3.08Å; D103-K106 IonicContact OD1-NZ 2.79Å; D103-L107 WeakPolarHBondContact O-CG 3.23Å; D103-L107 PolarHBondContact O-N 3.14Å
104A96.7Very high94.2Very high6 Ų671 Ų715%0.0538%0.38CS..Hα-helixtrans-60.7-45.1172.600000112.4I28 I59 L100 F101 L107 A108I28-A104 HydrophobicContact CD1-CB 3.8Å; I28-A104 HydrophobicContact CG1-CB 4.1Å; I59-A104 HydrophobicContact CD1-CB 3.76Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-A104 PolarHBondContact O-N 3.34Å; F101-A104 PolarHBondContact O-N 3.08Å; A104-L107 PolarHBondContact O-N 3.44Å; A104-A108 WeakPolarHBondContact O-CB 3.44Å; A104-A108 PolarHBondContact O-N 3.01Å
105I95.9Very high93.2Very high54 Ų5470.4 Ų70.428%0.27737%0.369SS..Hα-helixtrans-62.5-45.3177.9-67.2162.8000110.5T2 F4 F101 N102 L107 A108 V109T2-I105 HydrophobicContact CG2-CG1 4.36Å; F4-I105 HydrophobicContact CZ-CD1 4.07Å; F4-I105 HydrophobicContact CZ-CG1 4.05Å; F101-I105 WeakPolarHBondContact O-CD1 3.45Å; F101-I105 WeakPolarHBondContact O-CG1 3.16Å; F101-I105 PolarHBondContact O-N 3.44Å; N102-I105 PolarHBondContact O-N 3.14Å; I105-L107 VanDerWaalsContact C-N 3.32Å; I105-L107 PolarHBondContact O-N 2.97Å; I105-A108 PolarHBondContact O-N 2.6Å; I105-V109 HydrophobicContact CG2-CG2 4.3Å; I105-V109 WeakPolarHBondContact O-CG2 3.47Å; I105-V109 PolarHBondContact O-N 2.59Å
106K95.7Very high91.8Very high136 Ų13671.4 Ų71.459%0.59139%0.39SS*.Hα-helixtrans-59.1-44.3177.8-72.6170.5-170.6166.70111.8N102 D103 V109 A110N102-K106 VanDerWaalsContact O-CG 3.32Å; N102-K106 WeakPolarHBondContact O-CG 3.23Å; N102-K106 PolarHBondContact O-N 3.01Å; N102-K106 VanDerWaalsContact O-N 3.09Å; D103-K106 PolarHBondContact O-N 3.08Å; D103-K106 IonicContact OD1-NZ 2.79Å; K106-V109 PolarHBondContact O-N 2.9Å; K106-A110 WeakPolarHBondContact O-CB 3.44Å; K106-A110 PolarHBondContact O-N 2.79Å
107L95.1Very high91.1Very high65 Ų6568.4 Ų68.434%0.3437%0.374SS..Hα-helixtrans-63.6-43.4176.7-72.4173.6000111.7P57 I59 P85 D103 A104 I105 V109 A110 Y111P57-L107 HydrophobicContact CB-CB 3.9Å; P57-L107 HydrophobicContact CB-CD1 4.34Å; P57-L107 HydrophobicContact CG-CB 3.93Å; I59-L107 HydrophobicContact CD1-CD1 3.98Å; I59-L107 HydrophobicContact CG1-CD1 4.06Å; P85-L107 HydrophobicContact CG-CD1 4.4Å; D103-L107 WeakPolarHBondContact O-CG 3.23Å; D103-L107 PolarHBondContact O-N 3.14Å; A104-L107 PolarHBondContact O-N 3.44Å; I105-L107 VanDerWaalsContact C-N 3.32Å; I105-L107 PolarHBondContact O-N 2.97Å; L107-V109 PolarHBondContact O-N 2.81Å; L107-A110 PolarHBondContact O-N 2.95Å; L107-Y111 WeakPolarHBondContact O-CB 3.41Å; L107-Y111 PolarHBondContact O-N 3.17Å
108A93.9Very high90.2Very high21 Ų2173.4 Ų73.417%0.17439%0.393CS..Hα-helixtrans-61.2-43.1177.200000112.3H25 A26 A104 I105 Y111 K112H25-A108 HydrophobicContact CB-CB 4.15Å; A26-A108 HydrophobicContact CB-CB 3.75Å; A104-A108 WeakPolarHBondContact O-CB 3.44Å; A104-A108 PolarHBondContact O-N 3.01Å; I105-A108 PolarHBondContact O-N 2.6Å; A108-Y111 PolarHBondContact O-N 3.46Å; A108-K112 WeakPolarHBondContact O-CB 3.48Å; A108-K112 PolarHBondContact O-N 3.04Å
109V93Very high89.4Confident68 Ų6870.4 Ų70.441%0.41237%0.373SS..Hα-helixtrans-66.9-45.3178.3171.40000111I105 K106 L107 Y111 K112 Q113I105-V109 HydrophobicContact CG2-CG2 4.3Å; I105-V109 WeakPolarHBondContact O-CG2 3.47Å; I105-V109 PolarHBondContact O-N 2.59Å; K106-V109 PolarHBondContact O-N 2.9Å; L107-V109 PolarHBondContact O-N 2.81Å; V109-Y111 VanDerWaalsContact C-N 3.29Å; V109-Y111 PolarHBondContact O-N 2.89Å; V109-K112 PolarHBondContact O-N 2.75Å; V109-Q113 HydrophobicContact CG1-CG 4.47Å; V109-Q113 WeakPolarHBondContact O-CG 3.4Å; V109-Q113 PolarHBondContact O-N 3.21Å
110A92.1Very high88.7Confident55 Ų5565.7 Ų65.746%0.45535%0.353SS..Hα-helixtrans-60.9-41.2177.200000111.5K106 L107 N114K106-A110 WeakPolarHBondContact O-CB 3.44Å; K106-A110 PolarHBondContact O-N 2.79Å; L107-A110 PolarHBondContact O-N 2.95Å; A110-N114 WeakPolarHBondContact O-CB 3.15Å; A110-N114 PolarHBondContact O-N 3.46Å
111Y91.7Very high88Confident27 Ų2770.4 Ų70.411%0.10638%0.375CS..Hα-helixtrans-61.8-52.3173.8177.3-97.2000111.3H25 R53 E55 I56 L107 A108 V109 Q113 N114 S115 D117 D120H25-Y111 HydrophobicContact CB-CD1 4.45Å; R53-Y111 PolarHBondContact NH2-OH 3.02Å; E55-Y111 HydrophobicContact CB-CE2 3.84Å; I56-Y111 HydrophobicContact CG2-CD1 4.4Å; I56-Y111 HydrophobicContact CG2-CE1 3.7Å; I56-Y111 HydrophobicContact CG2-CE2 4.38Å; L107-Y111 WeakPolarHBondContact O-CB 3.41Å; L107-Y111 PolarHBondContact O-N 3.17Å; A108-Y111 PolarHBondContact O-N 3.46Å; V109-Y111 VanDerWaalsContact C-N 3.29Å; V109-Y111 PolarHBondContact O-N 2.89Å; Y111-Q113 VanDerWaalsContact C-N 3.26Å; Y111-Q113 PolarHBondContact O-N 3.32Å; Y111-N114 CarbonylContact O-C 3.51Å; Y111-N114 PolarHBondContact O-N 3.42Å; Y111-S115 VanDerWaalsContact O-CB 3.24Å; Y111-S115 WeakPolarHBondContact O-CB 3.27Å; Y111-S115 PolarHBondContact O-N 3.26Å; Y111-S115 PolarHBondContact O-OG 3.38Å; Y111-D117 WeakPolarHBondContact OH-CB 3.49Å; Y111-D117 PolarHBondContact OH-OD2 2.87Å; Y111-D120 WeakPolarHBondContact CE1-OD2 3.33Å
112K87.6Confident87.3Confident136 Ų13668.8 Ų68.859%0.59137%0.371SS*.Hα-helixtrans-59.2-33.5-178.6-176.1173.6-179.5170.80113.9A108 V109 N114A108-K112 WeakPolarHBondContact O-CB 3.48Å; A108-K112 PolarHBondContact O-N 3.04Å; V109-K112 PolarHBondContact O-N 2.75Å; K112-N114 VanDerWaalsContact C-N 3.29Å
113Q86.1Confident86.6Confident156 Ų15666.8 Ų66.873%0.72936%0.36SS*.Hα-helixtrans-73.8-22.2178.8-73.9176.1-3.600113.1V109 Y111V109-Q113 HydrophobicContact CG1-CG 4.47Å; V109-Q113 WeakPolarHBondContact O-CG 3.4Å; V109-Q113 PolarHBondContact O-N 3.21Å; Y111-Q113 VanDerWaalsContact C-N 3.26Å; Y111-Q113 PolarHBondContact O-N 3.32Å
114N79.7Confident85.9Confident147 Ų14772.9 Ų72.979%0.78638%0.38SS*.Hα-helixtrans-128.65.2-166.3-135.396.6000113.2A110 Y111 K112A110-N114 WeakPolarHBondContact O-CB 3.15Å; A110-N114 PolarHBondContact O-N 3.46Å; Y111-N114 CarbonylContact O-C 3.51Å; Y111-N114 PolarHBondContact O-N 3.42Å; K112-N114 VanDerWaalsContact C-N 3.29Å
115S74.3Confident85.3Confident26 Ų2677.6 Ų77.618%0.18240%0.401CS..  trans-81.7130-177.566.20000111.2Y111 D120Y111-S115 VanDerWaalsContact O-CB 3.24Å; Y111-S115 WeakPolarHBondContact O-CB 3.27Å; Y111-S115 PolarHBondContact O-N 3.26Å; Y111-S115 PolarHBondContact O-OG 3.38Å; S115-D120 WeakPolarHBondContact CB-OD2 3.27Å; S115-D120 PolarHBondContact OG-OD2 3.34Å
116G69.8Low84.6Confident74 Ų7479.3 Ų79.376%0.76341%0.41SS*.  trans-107.428.3160.200000110.7F118G116-F118 PolarHBondContact O-N 3.05Å
117D80.7Confident84Confident9 Ų977.9 Ų77.95%0.04841%0.406CS..  trans-62.3125.5-179.8-176.6-7.9000108.5R53 Y111 M119 D120 E121R53-D117 IonicContact CZ-OD2 2.76Å; R53-D117 VanDerWaalsContact CZ-OD2 3.32Å; R53-D117 IonicContact NE-OD2 2.9Å; R53-D117 PolarHBondContact NE-OD2 2.89Å; R53-D117 IonicContact NH2-OD2 2.71Å; R53-D117 PolarHBondContact NH2-OD2 3.08Å; Y111-D117 WeakPolarHBondContact OH-CB 3.49Å; Y111-D117 PolarHBondContact OH-OD2 2.87Å; D117-M119 PolarHBondContact O-N 2.94Å; D117-M119 VanDerWaalsContact O-N 3.14Å; D117-M119 PolarHBondContact OD1-N 3.18Å; D117-D120 HydrophobicContact CB-CB 4.38Å; D117-D120 WeakPolarHBondContact O-CA 3.3Å; D117-D120 WeakPolarHBondContact O-CB 3.32Å; D117-D120 PolarHBondContact O-N 3.12Å; D117-E121 PolarHBondContact O-N 2.85Å; D117-E121 VanDerWaalsContact O-N 3.12Å
118F79.9Confident83.4Confident141 Ų14177.3 Ų77.362%0.61841%0.407SS*.Hα-helixtrans-51-37.8177.6174.5-105.1000111.7G116 D120 E121 V122G116-F118 PolarHBondContact O-N 3.05Å; F118-D120 VanDerWaalsContact C-N 3.32Å; F118-D120 PolarHBondContact O-N 3.05Å; F118-E121 PolarHBondContact O-N 3.25Å; F118-V122 HydrophobicContact CD1-CG2 4.09Å; F118-V122 HydrophobicContact CD2-CG2 4.22Å; F118-V122 HydrophobicContact CE1-CG2 3.63Å; F118-V122 HydrophobicContact CE2-CG2 3.78Å; F118-V122 HydrophobicContact CG-CG2 4.37Å; F118-V122 HydrophobicContact CZ-CG2 3.46Å; F118-V122 VanDerWaalsContact CZ-CG2 3.46Å; F118-V122 VanDerWaalsContact O-CG2 3.3Å; F118-V122 WeakPolarHBondContact O-CG2 3.26Å; F118-V122 PolarHBondContact O-N 3.4Å
119M80Confident82.8Confident42 Ų4281.9 Ų81.921%0.20742%0.423CS..Hα-helixtrans-67.7-32.5178.6-67.7-59-63.500112.5H22 D117 M123H22-M119 WeakPolarHBondContact ND1-CE 3.24Å; D117-M119 PolarHBondContact O-N 2.94Å; D117-M119 VanDerWaalsContact O-N 3.14Å; D117-M119 PolarHBondContact OD1-N 3.18Å; M119-M123 WeakPolarHBondContact O-CB 3.4Å; M119-M123 WeakPolarHBondContact O-CG 3.46Å; M119-M123 PolarHBondContact O-N 3.3Å
120D82.3Confident82.2Confident19 Ų1984.1 Ų84.110%0.10243%0.433CS..Hα-helixtrans-71.4-35.7174.4-71.5-20.1000111.5R53 Y111 S115 D117 F118 R124R53-D120 IonicContact CZ-OD1 3.43Å; R53-D120 IonicContact NH1-OD1 3.21Å; R53-D120 PolarHBondContact NH1-OD1 3.19Å; R53-D120 IonicContact NH2-OD1 2.75Å; R53-D120 PolarHBondContact NH2-OD1 3.13Å; R53-D120 IonicContact NH2-OD2 3.19Å; R53-D120 PolarHBondContact NH2-OD2 2.96Å; Y111-D120 WeakPolarHBondContact CE1-OD2 3.33Å; S115-D120 WeakPolarHBondContact CB-OD2 3.27Å; S115-D120 PolarHBondContact OG-OD2 3.34Å; D117-D120 HydrophobicContact CB-CB 4.38Å; D117-D120 WeakPolarHBondContact O-CA 3.3Å; D117-D120 WeakPolarHBondContact O-CB 3.32Å; D117-D120 PolarHBondContact O-N 3.12Å; F118-D120 VanDerWaalsContact C-N 3.32Å; F118-D120 PolarHBondContact O-N 3.05Å; D120-R124 WeakPolarHBondContact O-CB 3.45Å; D120-R124 PolarHBondContact O-N 2.98Å
121E81.8Confident81.4Confident106 Ų10687.3 Ų87.350%0.49544%0.442SS..Hα-helixtrans-65.5-50.8175.3-173.9169.8-153.300111.2D117 F118 M123 R124 E125D117-E121 PolarHBondContact O-N 2.85Å; D117-E121 VanDerWaalsContact O-N 3.12Å; F118-E121 PolarHBondContact O-N 3.25Å; E121-M123 VanDerWaalsContact C-N 3.31Å; E121-M123 PolarHBondContact O-N 3.27Å; E121-R124 WeakPolarHBondContact O-CB 3.32Å; E121-R124 PolarHBondContact O-N 3.23Å; E121-R124 VanDerWaalsContact O-N 3.11Å; E121-E125 PolarHBondContact O-N 3.1Å
122V83.3Confident80.7Confident42 Ų4291.1 Ų91.126%0.25546%0.46SS..Hα-helixtrans-56.6-45.71761710000111.2F118 R124 E125 L126F118-V122 HydrophobicContact CD1-CG2 4.09Å; F118-V122 HydrophobicContact CD2-CG2 4.22Å; F118-V122 HydrophobicContact CE1-CG2 3.63Å; F118-V122 HydrophobicContact CE2-CG2 3.78Å; F118-V122 HydrophobicContact CG-CG2 4.37Å; F118-V122 HydrophobicContact CZ-CG2 3.46Å; F118-V122 VanDerWaalsContact CZ-CG2 3.46Å; F118-V122 VanDerWaalsContact O-CG2 3.3Å; F118-V122 WeakPolarHBondContact O-CG2 3.26Å; F118-V122 PolarHBondContact O-N 3.4Å; V122-R124 VanDerWaalsContact C-N 3.32Å; V122-R124 PolarHBondContact O-N 3.41Å; V122-E125 PolarHBondContact O-N 3.39Å; V122-L126 HydrophobicContact CG1-CD1 4.05Å; V122-L126 HydrophobicContact CG1-CG 4.45Å; V122-L126 WeakPolarHBondContact O-CG 3.38Å; V122-L126 PolarHBondContact O-N 3.09Å
123M81.5Confident80.3Confident38 Ų3890.8 Ų90.819%0.18746%0.459CS..Hα-helixtrans-64.3-37.4179.3-73.6-60-51.300112.3K23 M119 E121 L126 E127K23-M123 HydrophobicContact CD-CE 4.35Å; K23-M123 VanDerWaalsContact CE-CE 3.49Å; K23-M123 HydrophobicContact CG-CE 4.05Å; M119-M123 WeakPolarHBondContact O-CB 3.4Å; M119-M123 WeakPolarHBondContact O-CG 3.46Å; M119-M123 PolarHBondContact O-N 3.3Å; E121-M123 VanDerWaalsContact C-N 3.31Å; E121-M123 PolarHBondContact O-N 3.27Å; M123-L126 PolarHBondContact O-N 2.84Å; M123-L126 HydrophobicContact SD-CD1 4.4Å; M123-E127 WeakPolarHBondContact O-CG 3.41Å; M123-E127 PolarHBondContact O-N 2.87Å
124R82.7Confident79.9Confident163 Ų16390 Ų9062%0.61545%0.453SS*.Hα-helixtrans-66.7-40.8176.7-171.3-174.6-56.9160.26.1112D120 E121 V122 S128D120-R124 WeakPolarHBondContact O-CB 3.45Å; D120-R124 PolarHBondContact O-N 2.98Å; E121-R124 WeakPolarHBondContact O-CB 3.32Å; E121-R124 PolarHBondContact O-N 3.23Å; E121-R124 VanDerWaalsContact O-N 3.11Å; V122-R124 VanDerWaalsContact C-N 3.32Å; V122-R124 PolarHBondContact O-N 3.41Å; R124-S128 PolarHBondContact O-N 3.02Å
125E83.5Confident79.7Confident104 Ų10486.3 Ų86.349%0.48644%0.439SS..Hα-helixtrans-63.5-47.6174.8-72.2-171.2169.500111.1E121 V122 E127 S128 F129E121-E125 PolarHBondContact O-N 3.1Å; V122-E125 PolarHBondContact O-N 3.39Å; E125-E127 VanDerWaalsContact C-N 3.34Å; E125-E127 PolarHBondContact O-N 3Å; E125-S128 WeakPolarHBondContact O-CA 3.33Å; E125-S128 WeakPolarHBondContact O-CB 3.36Å; E125-S128 PolarHBondContact O-N 2.92Å; E125-S128 PolarHBondContact O-OG 2.87Å; E125-F129 HydrophobicContact CB-CE2 4.39Å; E125-F129 WeakPolarHBondContact O-CD2 3.29Å; E125-F129 PolarHBondContact O-N 3.18Å
126L82.4Confident79.6Confident91 Ų9190.4 Ų90.448%0.47646%0.455SS..Hα-helixtrans-58-44177.2-70.5174.1000112.3V122 M123 S128 F129 D130V122-L126 HydrophobicContact CG1-CD1 4.05Å; V122-L126 HydrophobicContact CG1-CG 4.45Å; V122-L126 WeakPolarHBondContact O-CG 3.38Å; V122-L126 PolarHBondContact O-N 3.09Å; M123-L126 PolarHBondContact O-N 2.84Å; M123-L126 HydrophobicContact SD-CD1 4.4Å; L126-S128 VanDerWaalsContact C-N 3.26Å; L126-S128 PolarHBondContact O-N 3.17Å; L126-F129 PolarHBondContact O-N 2.84Å; L126-D130 PolarHBondContact O-N 3.33Å
127E82.7Confident80Confident105 Ų10590.9 Ų90.949%0.49144%0.44SS..Hα-helixtrans-61.8-35.3175-75.2177.1179.900112.1M123 E125 L131M123-E127 WeakPolarHBondContact O-CG 3.41Å; M123-E127 PolarHBondContact O-N 2.87Å; E125-E127 VanDerWaalsContact C-N 3.34Å; E125-E127 PolarHBondContact O-N 3Å; E127-L131 WeakPolarHBondContact O-CG 3.44Å; E127-L131 PolarHBondContact O-N 3.46Å
128S83.1Confident79.5Confident53 Ų5395 Ų9537%0.37146%0.462SS..Hα-helixtrans-69-38.6176.379.30000112.8R124 E125 L126 L131 Q132R124-S128 PolarHBondContact O-N 3.02Å; E125-S128 WeakPolarHBondContact O-CA 3.33Å; E125-S128 WeakPolarHBondContact O-CB 3.36Å; E125-S128 PolarHBondContact O-N 2.92Å; E125-S128 PolarHBondContact O-OG 2.87Å; L126-S128 VanDerWaalsContact C-N 3.26Å; L126-S128 PolarHBondContact O-N 3.17Å; S128-L131 PolarHBondContact O-N 2.96Å; S128-Q132 WeakPolarHBondContact O-CG 3.48Å; S128-Q132 PolarHBondContact O-N 3.31Å
129F80.3Confident78.9Confident118 Ų11891.3 Ų91.352%0.51845%0.453SS..Hα-helixtrans-64.8-43.2175.4-78.1-68.1000111.8E125 L126 L131 Q132 K133E125-F129 HydrophobicContact CB-CE2 4.39Å; E125-F129 WeakPolarHBondContact O-CD2 3.29Å; E125-F129 PolarHBondContact O-N 3.18Å; L126-F129 PolarHBondContact O-N 2.84Å; F129-L131 VanDerWaalsContact C-N 3.28Å; F129-L131 PolarHBondContact O-N 3.23Å; F129-Q132 PolarHBondContact O-N 2.69Å; F129-K133 PolarHBondContact O-N 3.42Å
130D81Confident78.2Confident115 Ų11595.9 Ų95.962%0.61547%0.474SS*.Hα-helixtrans-61.8-37177.1-77.5-21.1000111.9L126 K134L126-D130 PolarHBondContact O-N 3.33Å; D130-K134 WeakPolarHBondContact O-CB 3.44Å; D130-K134 PolarHBondContact O-N 3.35Å
131L75.3Confident77.2Confident122 Ų122101.2 Ų101.264%0.63950%0.499SS*.Hα-helixtrans-68.5-42176-73.2170.3000112.5E127 S128 F129 K134 S135E127-L131 WeakPolarHBondContact O-CG 3.44Å; E127-L131 PolarHBondContact O-N 3.46Å; S128-L131 PolarHBondContact O-N 2.96Å; F129-L131 VanDerWaalsContact C-N 3.28Å; F129-L131 PolarHBondContact O-N 3.23Å; L131-K134 PolarHBondContact O-N 3.35Å; L131-S135 PolarHBondContact O-N 3.4Å; L131-S135 PolarHBondContact O-OG 3.02Å
132Q77.3Confident76.1Confident106 Ų106104 Ų10450%0.49551%0.512SS..Hα-helixtrans-61.1-49.7176.2-76.2177.2-3.700110.9S128 F129 K134 S135 E136S128-Q132 WeakPolarHBondContact O-CG 3.48Å; S128-Q132 PolarHBondContact O-N 3.31Å; F129-Q132 PolarHBondContact O-N 2.69Å; Q132-K134 VanDerWaalsContact C-N 3.31Å; Q132-K134 PolarHBondContact O-N 2.93Å; Q132-S135 PolarHBondContact O-N 3.08Å; Q132-S135 PolarHBondContact O-OG 3.25Å; Q132-E136 WeakPolarHBondContact O-CG 3.3Å; Q132-E136 PolarHBondContact O-N 3.49Å
133K78.4Confident74.8Confident130 Ų130110.5 Ų110.557%0.56554%0.539SS*.Hα-helixtrans-59-42.9178.2-172.3176.7-179.6179.20112.2F129 S135 E136 D137F129-K133 PolarHBondContact O-N 3.42Å; K133-S135 VanDerWaalsContact C-N 3.28Å; K133-S135 PolarHBondContact O-N 3.07Å; K133-E136 PolarHBondContact O-N 3.31Å; K133-D137 PolarHBondContact O-N 3.24Å
134K79Confident73.4Confident140 Ų140112.7 Ų112.761%0.60956%0.558SS**Hα-helixtrans-65-32.4177-169169.2-174.5173.80112.7D130 L131 Q132 L138D130-K134 WeakPolarHBondContact O-CB 3.44Å; D130-K134 PolarHBondContact O-N 3.35Å; L131-K134 PolarHBondContact O-N 3.35Å; Q132-K134 VanDerWaalsContact C-N 3.31Å; Q132-K134 PolarHBondContact O-N 2.93Å; K134-L138 HydrophobicContact CG-CD1 4.45Å; K134-L138 WeakPolarHBondContact O-CD1 3.39Å; K134-L138 VanDerWaalsContact O-CG 3.29Å; K134-L138 WeakPolarHBondContact O-CG 3.33Å; K134-L138 PolarHBondContact O-N 3.42Å
135S74.8Confident71.4Confident68 Ų68109.7 Ų109.748%0.47656%0.561SS.*Hα-helixtrans-73.5-34.4174.965.20000113.1L131 Q132 K133 S139L131-S135 PolarHBondContact O-N 3.4Å; L131-S135 PolarHBondContact O-OG 3.02Å; Q132-S135 PolarHBondContact O-N 3.08Å; Q132-S135 PolarHBondContact O-OG 3.25Å; K133-S135 VanDerWaalsContact C-N 3.28Å; K133-S135 PolarHBondContact O-N 3.07Å; S135-S139 PolarHBondContact O-N 3.02Å; S135-S139 VanDerWaalsContact O-N 3.1Å; S135-S139 PolarHBondContact O-OG 3.04Å
136E73.1Confident70.1Confident113 Ų113110.5 Ų110.553%0.52858%0.575SS.*Hα-helixtrans-66-49.2174.5-70.6173.116400110.7Q132 K133 L138 S139 E140Q132-E136 WeakPolarHBondContact O-CG 3.3Å; Q132-E136 PolarHBondContact O-N 3.49Å; K133-E136 PolarHBondContact O-N 3.31Å; E136-L138 VanDerWaalsContact C-N 3.27Å; E136-L138 PolarHBondContact O-N 3.03Å; E136-S139 WeakPolarHBondContact CA-OG 3.23Å; E136-S139 PolarHBondContact O-N 2.7Å; E136-S139 PolarHBondContact O-OG 3.22Å; E136-E140 PolarHBondContact O-N 3.15Å; E136-E140 VanDerWaalsContact O-N 3.07Å
137D76.3Confident68.8Low84 Ų84114.9 Ų114.945%0.44959%0.594SS.*Hα-helixtrans-56.8-39.5176.7-74.6-21.1000111.9K133 E141K133-D137 PolarHBondContact O-N 3.24Å; D137-E141 WeakPolarHBondContact O-CG 3.46Å; D137-E141 PolarHBondContact O-N 2.92Å
138L70.5Confident67.5Low95 Ų95118.9 Ų118.950%0.49761%0.612SS.*Hα-helixtrans-69.2-35.6177.5-76.9166.1000112.9K134 E136 E141 E142K134-L138 HydrophobicContact CG-CD1 4.45Å; K134-L138 WeakPolarHBondContact O-CD1 3.39Å; K134-L138 VanDerWaalsContact O-CG 3.29Å; K134-L138 WeakPolarHBondContact O-CG 3.33Å; K134-L138 PolarHBondContact O-N 3.42Å; E136-L138 VanDerWaalsContact C-N 3.27Å; E136-L138 PolarHBondContact O-N 3.03Å; L138-E141 PolarHBondContact O-N 3.23Å; L138-E142 PolarHBondContact O-N 3.34Å; L138-E142 VanDerWaalsContact O-N 3.15Å
139S68.2Low66.3Low64 Ų64125.4 Ų125.445%0.44863%0.634SS.*Hα-helixtrans-70.8-33.8177.861.80000112.7S135 E136 E143S135-S139 PolarHBondContact O-N 3.02Å; S135-S139 VanDerWaalsContact O-N 3.1Å; S135-S139 PolarHBondContact O-OG 3.04Å; E136-S139 WeakPolarHBondContact CA-OG 3.23Å; E136-S139 PolarHBondContact O-N 2.7Å; E136-S139 PolarHBondContact O-OG 3.22Å; S139-E143 PolarHBondContact O-N 3.32Å
140E65Low65.4Low137 Ų137125.2 Ų125.264%0.6465%0.645SS**Hα-helixtrans-71.4-32.9174.6-67.8-175.5173.900112.1E136E136-E140 PolarHBondContact O-N 3.15Å; E136-E140 VanDerWaalsContact O-N 3.07Å
141E60.5Low64.4Low132 Ų132125.9 Ų125.962%0.61766%0.655SS**Hα-helixtrans-70.2-37.7174.1-75.9-175.6167.900112.6D137 L138 S144D137-E141 WeakPolarHBondContact O-CG 3.46Å; D137-E141 PolarHBondContact O-N 2.92Å; L138-E141 PolarHBondContact O-N 3.23Å; E141-S144 PolarHBondContact O-N 3.39Å; E141-S144 PolarHBondContact O-OG 3.02Å
142E58.4Low63.7Low164 Ų164125.9 Ų125.977%0.76667%0.665SS**Hα-helixtrans-69.2-33.9177.4-77.5-171166.300113.3L138 S144L138-E142 PolarHBondContact O-N 3.34Å; L138-E142 VanDerWaalsContact O-N 3.15Å; E142-S144 PolarHBondContact O-N 3.41Å
143E57.3Low62.8Low178 Ų178128.7 Ų128.783%0.83271%0.707SS**THydrogen-bonded Turntrans-70.5-12.6173.8-84.5-170.9158.900113.5S139S139-E143 PolarHBondContact O-N 3.32Å
144S51.8Low62.1Low84 Ų84128.7 Ų128.759%0.58771%0.714SS**THydrogen-bonded Turntrans-89.9-3.2-177.681.60000115.2E141 E142 P146E141-S144 PolarHBondContact O-N 3.39Å; E141-S144 PolarHBondContact O-OG 3.02Å; E142-S144 PolarHBondContact O-N 3.41Å; S144-P146 VanDerWaalsContact O-CD 3.31Å; S144-P146 WeakPolarHBondContact O-CD 3.38Å
145C41.7Very low61.2Low101 Ų101128.1 Ų128.168%0.68272%0.719SS**  trans-69.7117.3177.6-79.60000111.3E147C145-E147 PolarHBondContact O-N 2.84Å
146P54.7Low60.4Low120 Ų120131.4 Ų131.478%0.77973%0.733SS**  trans-70.1129178.2-9.624.9000110.2S144 E148S144-P146 VanDerWaalsContact O-CD 3.31Å; S144-P146 WeakPolarHBondContact O-CD 3.38Å; P146-E148 PolarHBondContact O-N 3.05Å
147E55.1Low59.7Low184 Ų184132.5 Ų132.586%0.8675%0.745SS**  trans-58108.7166.7-74.3-177.6151.200109.6C145 K149C145-E147 PolarHBondContact O-N 2.84Å; E147-K149 PolarHBondContact O-N 3.14Å
148E55.3Low58.6Low189 Ų189135.5 Ų135.588%0.88376%0.764SS**  trans-63.6105.7168.5-77.2-166.5158.300108.9P146P146-E148 PolarHBondContact O-N 3.05Å
149K59.1Low57.8Low189 Ų189138.2 Ų138.282%0.82278%0.781SS**PPolyproline II helixtrans-63.7134.3172-82.8-177.5177.41760109.8E147E147-K149 PolarHBondContact O-N 3.14Å
150P59.9Low57.1Low115 Ų115143.5 Ų143.575%0.74781%0.805SS**PPolyproline II helixtrans-66.7147.1-178.128.4-32.5000110.1S152P150-S152 PolarHBondContact O-N 3.09Å
151P61Low56.5Low129 Ų129144 Ų14484%0.83882%0.818SS**PPolyproline II helixtrans-66128.2-175.125.7-32000110.4A153P151-A153 PolarHBondContact O-N 3.36Å
152S60.1Low56.1Low121 Ų121145 Ų14585%0.84684%0.835SS**PPolyproline II helixtrans-64.2127.1171179.60000109.4P150P150-S152 PolarHBondContact O-N 3.09Å
153A59.3Low55.9Low166 Ų166143.3 Ų143.3100%1.37284%0.841SS**  trans-64.40172.200000112.8P151P151-A153 PolarHBondContact O-N 3.36Å

Retrieved 153 of 153 residues in 240.4 ms (Link to these results)

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