A0A077ZC85_TRITR Loading...

Sister chromatid cohesion protein DCC1

AlphaFold DB , UniProt , Accession A0A077ZC85, Species TRITR (Trichuris trichiura, Whipworm), 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
1K32.9Very low42.4Very low251 Ų251117 Ų117100%1.09155%0.548SS*.  0130-69.9-166.2173.3-168.70114.4
2R33.4Very low43.4Very low224 Ų224115.7 Ų115.785%0.84554%0.536SS*.  trans-99.1-4-170.5-163.1163.9-178.3163.90.6115.9
3F31.1Very low44.4Very low161 Ų161107.5 Ų107.571%0.70650%0.499SS*.SBendtrans-117.2-5.7-169.7-69.1-75.9000116L6F3-L6 HydrophobicContact CD1-CD1 4.09Å
4E38.3Very low45.7Very low161 Ų16199.9 Ų99.975%0.75246%0.463SS*.THydrogen-bonded Turntrans-72.6-28.4177.7-74.7167.7171.100112.6L6E4-L6 VanDerWaalsContact C-N 3.32Å; E4-L6 PolarHBondContact O-N 2.88Å
5G37Very low46.9Very low45 Ų4593.5 Ų93.546%0.46444%0.435SS..Hα-helixtrans-74.6-13-17900000115.6F9G5-F9 WeakPolarHBondContact O-CB 3.42Å; G5-F9 PolarHBondContact O-N 3.08Å
6L36.2Very low48Very low95 Ų9597.4 Ų97.450%0.49744%0.444SS..Hα-helixtrans-75.5-34.8179.3-75.7174.9000112.2F3 E4 F9 R10F3-L6 HydrophobicContact CD1-CD1 4.09Å; E4-L6 VanDerWaalsContact C-N 3.32Å; E4-L6 PolarHBondContact O-N 2.88Å; L6-F9 PolarHBondContact O-N 3.03Å; L6-R10 WeakPolarHBondContact O-CB 3.31Å; L6-R10 PolarHBondContact O-N 3.34Å
7T49.1Very low49.2Very low77 Ų7793.9 Ų93.947%0.47243%0.429SS..Hα-helixtrans-67.8-43.2175.7-50.10000110.7R10 E11T7-R10 WeakPolarHBondContact O-CB 3.13Å; T7-R10 PolarHBondContact O-N 3.08Å; T7-E11 PolarHBondContact O-N 3.36Å
8E49.1Very low50.1Low100 Ų10089.1 Ų89.147%0.46741%0.407SS..Hα-helixtrans-64.2-41.3174.1-66.9-175.8164.400111.6R10 Y12E8-R10 VanDerWaalsContact C-N 3.32Å; E8-R10 PolarHBondContact O-N 3.07Å; E8-Y12 WeakPolarHBondContact O-CB 3.48Å; E8-Y12 PolarHBondContact O-N 3.43Å
9F48.5Very low50.8Low63 Ų6386.2 Ų86.228%0.27640%0.395SS..Hα-helixtrans-65.3-36.5175.1-175.2-96.3000112.5G5 L6 T13 V82 M86G5-F9 WeakPolarHBondContact O-CB 3.42Å; G5-F9 PolarHBondContact O-N 3.08Å; L6-F9 PolarHBondContact O-N 3.03Å; F9-T13 WeakPolarHBondContact CE1-OG1 3.3Å; F9-T13 VanDerWaalsContact CZ-OG1 3.25Å; F9-T13 WeakPolarHBondContact CZ-OG1 3.43Å; F9-T13 WeakPolarHBondContact O-CB 3.26Å; F9-T13 PolarHBondContact O-N 3.12Å; F9-T13 PolarHBondContact O-OG1 3.35Å; F9-V82 HydrophobicContact CE1-CG1 4.1Å; F9-V82 HydrophobicContact CZ-CG1 4.28Å; F9-M86 HydrophobicContact CD1-CE 4.09Å; F9-M86 HydrophobicContact CD1-SD 4.37Å; F9-M86 HydrophobicContact CE1-CE 3.8Å; F9-M86 HydrophobicContact CE1-SD 3.68Å; F9-M86 HydrophobicContact CZ-SD 4.37Å
10R54.9Low51.1Low62 Ų6284.2 Ų84.223%0.23439%0.39CS..Hα-helixtrans-59.9-58.8175.4179.1-175.9124-179.1-4.5109.2L6 T7 E8 Y12 I14 H92 V94 D95 I96L6-R10 WeakPolarHBondContact O-CB 3.31Å; L6-R10 PolarHBondContact O-N 3.34Å; T7-R10 WeakPolarHBondContact O-CB 3.13Å; T7-R10 PolarHBondContact O-N 3.08Å; E8-R10 VanDerWaalsContact C-N 3.32Å; E8-R10 PolarHBondContact O-N 3.07Å; R10-Y12 PolarHBondContact O-N 3.1Å; R10-I14 HydrophobicContact CB-CD1 4.47Å; R10-I14 HydrophobicContact CG-CD1 3.51Å; R10-I14 WeakPolarHBondContact O-CB 3.47Å; R10-I14 WeakPolarHBondContact O-CD1 3.32Å; R10-I14 WeakPolarHBondContact O-CG1 3.34Å; R10-I14 PolarHBondContact O-N 2.99Å; R10-H92 WeakPolarHBondContact CD-O 3.03Å; R10-H92 VanDerWaalsContact CG-O 3.31Å; R10-H92 WeakPolarHBondContact CG-O 3.26Å; R10-H92 PolarHBondContact NE-O 2.74Å; R10-V94 PolarHBondContact NH2-O 2.73Å; R10-D95 IonicContact CZ-OD1 3.4Å; R10-D95 IonicContact CZ-OD2 2.68Å; R10-D95 IonicContact NH1-OD2 3.49Å; R10-D95 IonicContact NH2-OD1 2.87Å; R10-D95 PolarHBondContact NH2-OD1 3Å; R10-D95 IonicContact NH2-OD2 2.94Å; R10-D95 PolarHBondContact NH2-OD2 3.25Å; R10-I96 HydrophobicContact CG-CD1 4.15Å; R10-I96 VanDerWaalsContact NE-CD1 3.33Å
11E56.2Low51.2Low48 Ų4889.4 Ų89.422%0.22441%0.406CS..Hα-helixtrans-59.3-44.4177-70.2177.8-174.200111.8T7 T15T7-E11 PolarHBondContact O-N 3.36Å; E11-T15 WeakPolarHBondContact O-CB 3.27Å; E11-T15 PolarHBondContact O-N 3.42Å; E11-T15 PolarHBondContact O-OG1 3.49Å
12Y54.1Low52.2Low101 Ų10185.4 Ų85.440%0.39639%0.391SS..Hα-helixtrans-57-53.6179.8178.9-83.4000113.1E8 R10 R16 Y24E8-Y12 WeakPolarHBondContact O-CB 3.48Å; E8-Y12 PolarHBondContact O-N 3.43Å; R10-Y12 PolarHBondContact O-N 3.1Å; Y12-R16 WeakPolarHBondContact O-CB 3.15Å; Y12-R16 PolarHBondContact O-N 3.03Å; Y12-Y24 HydrophobicContact CD2-CE2 4.45Å; Y12-Y24 AromaticContact CD2-CZ 3.86Å; Y12-Y24 WeakPolarHBondContact CD2-OH 3.28Å; Y12-Y24 HydrophobicContact CE2-CE1 4.29Å; Y12-Y24 AromaticContact CE2-CZ 3.67Å; Y12-Y24 WeakPolarHBondContact CE2-OH 3.36Å
13T56.9Low53.3Low9 Ų975.7 Ų75.76%0.05536%0.357CS..Hα-helixtrans-72.2-44.5-171.1-51.80000110.6F9 L17 V82F9-T13 WeakPolarHBondContact CE1-OG1 3.3Å; F9-T13 VanDerWaalsContact CZ-OG1 3.25Å; F9-T13 WeakPolarHBondContact CZ-OG1 3.43Å; F9-T13 WeakPolarHBondContact O-CB 3.26Å; F9-T13 PolarHBondContact O-N 3.12Å; F9-T13 PolarHBondContact O-OG1 3.35Å; T13-L17 WeakPolarHBondContact O-CG 3.04Å; T13-L17 PolarHBondContact O-N 3.41Å; T13-V82 HydrophobicContact CG2-CG1 4.21Å
14I62.4Low54.4Low1 Ų168.6 Ų68.61%0.00533%0.326CS..Hα-helixtrans-64.3-56.1-178.8-68.4168.8000108.8R10 R16 L17 W18 W78 L93 I96R10-I14 HydrophobicContact CB-CD1 4.47Å; R10-I14 HydrophobicContact CG-CD1 3.51Å; R10-I14 WeakPolarHBondContact O-CB 3.47Å; R10-I14 WeakPolarHBondContact O-CD1 3.32Å; R10-I14 WeakPolarHBondContact O-CG1 3.34Å; R10-I14 PolarHBondContact O-N 2.99Å; I14-R16 PolarHBondContact O-N 3.3Å; I14-R16 VanDerWaalsContact O-N 3.09Å; I14-L17 WeakPolarHBondContact O-CB 3.37Å; I14-L17 PolarHBondContact O-N 3.29Å; I14-W18 HydrophobicContact CB-CZ3 4.06Å; I14-W18 HydrophobicContact CG2-CE3 3.69Å; I14-W18 HydrophobicContact CG2-CH2 4.2Å; I14-W18 HydrophobicContact CG2-CZ3 3.21Å; I14-W78 HydrophobicContact CG1-CZ2 4.42Å; I14-L93 HydrophobicContact CB-CD2 4.47Å; I14-L93 HydrophobicContact CD1-CD2 3.22Å; I14-L93 HydrophobicContact CG1-CD2 3.49Å; I14-L93 VanDerWaalsContact CG1-CD2 3.49Å; I14-L93 HydrophobicContact CG2-CD2 4.16Å; I14-I96 HydrophobicContact CD1-CD1 3.95Å; I14-I96 HydrophobicContact CG2-CD1 4.44Å; I14-I96 HydrophobicContact CG2-CG2 3.71Å
15T64Low55.2Low5 Ų564.5 Ų64.53%0.03131%0.309CS..Hα-helixtrans-58.6-32.9-176.5-51.60000112.3E11 L17 W18 L19 Y27E11-T15 WeakPolarHBondContact O-CB 3.27Å; E11-T15 PolarHBondContact O-N 3.42Å; E11-T15 PolarHBondContact O-OG1 3.49Å; T15-L17 VanDerWaalsContact C-N 3.29Å; T15-L17 PolarHBondContact O-N 2.97Å; T15-W18 PolarHBondContact O-N 3.33Å; T15-L19 HydrophobicContact CG2-CB 4.39Å; T15-L19 HydrophobicContact CG2-CD1 3.2Å; T15-L19 HydrophobicContact CG2-CG 3.55Å; T15-L19 VanDerWaalsContact O-CB 3.28Å; T15-L19 WeakPolarHBondContact O-CB 3.21Å; T15-L19 WeakPolarHBondContact O-CG 3.31Å; T15-L19 PolarHBondContact O-N 3.5Å; T15-Y27 HydrophobicContact CG2-CD2 4.37Å; T15-Y27 HydrophobicContact CG2-CE2 4.35Å
16R64.2Low56.1Low156 Ų15665.4 Ų65.459%0.58930%0.301SS*.Hα-helixtrans-66.1-27175.3-169-176-177.8-150.4-0.5113.9Y12 I14 Y24Y12-R16 WeakPolarHBondContact O-CB 3.15Å; Y12-R16 PolarHBondContact O-N 3.03Å; I14-R16 PolarHBondContact O-N 3.3Å; I14-R16 VanDerWaalsContact O-N 3.09Å; R16-Y24 HydrophobicContact CB-CD2 4.08Å; R16-Y24 HydrophobicContact CB-CE2 4.25Å
17L68.1Low56.7Low37 Ų3762.2 Ų62.219%0.19428%0.283CS..Hα-helixtrans-75.2-32.8177.7-65176000112.3T13 I14 T15 F74 I77 W78T13-L17 WeakPolarHBondContact O-CG 3.04Å; T13-L17 PolarHBondContact O-N 3.41Å; I14-L17 WeakPolarHBondContact O-CB 3.37Å; I14-L17 PolarHBondContact O-N 3.29Å; T15-L17 VanDerWaalsContact C-N 3.29Å; T15-L17 PolarHBondContact O-N 2.97Å; L17-F74 HydrophobicContact CB-CE2 4.05Å; L17-F74 HydrophobicContact CD1-CD2 4.47Å; L17-F74 HydrophobicContact CD1-CE2 3.56Å; L17-F74 HydrophobicContact CD1-CZ 3.8Å; L17-F74 HydrophobicContact CG-CE2 4.45Å; L17-I77 HydrophobicContact CD2-CG2 3.61Å; L17-W78 HydrophobicContact CD1-CB 3.68Å; L17-W78 HydrophobicContact CD1-CG 3.91Å
18W65Low56.9Low8 Ų859.3 Ų59.33%0.0327%0.266CS..Hα-helixtrans-96.4-33.7-178.9-78.5-78.5000114I14 T15 Y67 F74 L93 A97 I108 Y110I14-W18 HydrophobicContact CB-CZ3 4.06Å; I14-W18 HydrophobicContact CG2-CE3 3.69Å; I14-W18 HydrophobicContact CG2-CH2 4.2Å; I14-W18 HydrophobicContact CG2-CZ3 3.21Å; T15-W18 PolarHBondContact O-N 3.33Å; W18-Y67 PolarHBondContact NE1-O 3.39Å; W18-F74 HydrophobicContact CD2-CE2 4.26Å; W18-F74 AromaticContact CE2-CE2 3.88Å; W18-F74 HydrophobicContact CE3-CE2 4.01Å; W18-F74 HydrophobicContact CE3-CZ 4.46Å; W18-F74 AromaticContact CH2-CD2 3.94Å; W18-F74 HydrophobicContact CH2-CD2 3.94Å; W18-F74 AromaticContact CH2-CE1 3.83Å; W18-F74 HydrophobicContact CH2-CE1 3.83Å; W18-F74 AromaticContact CH2-CE2 3.03Å; W18-F74 HydrophobicContact CH2-CE2 3.03Å; W18-F74 AromaticContact CH2-CZ 2.98Å; W18-F74 HydrophobicContact CH2-CZ 2.98Å; W18-F74 AromaticContact CZ2-CD2 3.77Å; W18-F74 HydrophobicContact CZ2-CD2 3.77Å; W18-F74 HydrophobicContact CZ2-CE1 4.38Å; W18-F74 AromaticContact CZ2-CE2 3.32Å; W18-F74 HydrophobicContact CZ2-CE2 3.32Å; W18-F74 HydrophobicContact CZ2-CG 4.49Å; W18-F74 AromaticContact CZ2-CZ 3.7Å; W18-F74 HydrophobicContact CZ2-CZ 3.7Å; W18-F74 HydrophobicContact CZ3-CD2 4.5Å; W18-F74 AromaticContact CZ3-CE2 3.34Å; W18-F74 HydrophobicContact CZ3-CE2 3.34Å; W18-F74 AromaticContact CZ3-CZ 3.39Å; W18-F74 HydrophobicContact CZ3-CZ 3.39Å; W18-L93 HydrophobicContact CH2-CD1 4.21Å; W18-L93 HydrophobicContact CH2-CD2 4.49Å; W18-A97 HydrophobicContact CH2-CB 4.22Å; W18-A97 HydrophobicContact CZ2-CB 4.28Å; W18-I108 HydrophobicContact CH2-CD1 4.02Å; W18-I108 HydrophobicContact CZ2-CD1 3.87Å; W18-I108 HydrophobicContact CZ2-CG1 3.95Å; W18-I108 HydrophobicContact CZ2-CG2 3.97Å; W18-Y110 HydrophobicContact CB-CD2 4.43Å; W18-Y110 HydrophobicContact CB-CG 4.48Å; W18-Y110 HydrophobicContact CD2-CD2 4.28Å; W18-Y110 HydrophobicContact CE3-CD2 4.38Å; W18-Y110 HydrophobicContact CG-CD2 4.33Å; W18-Y110 HydrophobicContact CG-CG 4.39Å
19L63.3Low56.9Low34 Ų3457.8 Ų57.818%0.17827%0.266CS..SBendtrans-86.9137.1-176.6-64.1-168.2000112.1T15 T23T15-L19 HydrophobicContact CG2-CB 4.39Å; T15-L19 HydrophobicContact CG2-CD1 3.2Å; T15-L19 HydrophobicContact CG2-CG 3.55Å; T15-L19 VanDerWaalsContact O-CB 3.28Å; T15-L19 WeakPolarHBondContact O-CB 3.21Å; T15-L19 WeakPolarHBondContact O-CG 3.31Å; T15-L19 PolarHBondContact O-N 3.5Å; L19-T23 HydrophobicContact CD1-CG2 4.03Å; L19-T23 HydrophobicContact CD2-CG2 4.33Å
20P56.4Low56.9Low45 Ų4556 Ų5629%0.29226%0.259SS..  trans-50.8143.9163.9-24.233.4000110.8E22 T23 Y24 L62P20-E22 PolarHBondContact O-N 3.03Å; P20-E22 VanDerWaalsContact O-N 3.08Å; P20-T23 WeakPolarHBondContact O-CB 3.22Å; P20-T23 PolarHBondContact O-N 3.48Å; P20-Y24 PolarHBondContact O-N 2.91Å; P20-L62 HydrophobicContact CG-CD1 4.41Å; P20-L62 HydrophobicContact CG-CD2 4.4Å
21R53.2Low56.5Low195 Ų19555.2 Ų55.274%0.73626%0.256SS*.Hα-helixtrans-52.8-37.2-177.3-177178.7178.1-169.53.5112.9Y24 D25R21-Y24 PolarHBondContact O-N 3.38Å; R21-D25 IonicContact NE-OD2 3.64Å; R21-D25 PolarHBondContact NE-OD2 3.4Å; R21-D25 WeakPolarHBondContact O-CB 3.49Å; R21-D25 PolarHBondContact O-N 3.41Å
22E54.7Low55.9Low166 Ų16660.8 Ų60.878%0.77628%0.275SS*.Hα-helixtrans-64.1-46.8178.5-66.8161.1-169.100111.3P20 Y24 D25 E26P20-E22 PolarHBondContact O-N 3.03Å; P20-E22 VanDerWaalsContact O-N 3.08Å; E22-Y24 VanDerWaalsContact C-N 3.3Å; E22-Y24 PolarHBondContact O-N 3.23Å; E22-D25 PolarHBondContact O-N 2.82Å; E22-E26 WeakPolarHBondContact O-CB 3.5Å; E22-E26 PolarHBondContact O-N 2.8Å
23T56Low55.5Low20 Ų2064.4 Ų64.412%0.12329%0.288CS..Hα-helixtrans-64.2-35.8174.7-42.60000111.4L19 P20 Y27L19-T23 HydrophobicContact CD1-CG2 4.03Å; L19-T23 HydrophobicContact CD2-CG2 4.33Å; P20-T23 WeakPolarHBondContact O-CB 3.22Å; P20-T23 PolarHBondContact O-N 3.48Å; T23-Y27 VanDerWaalsContact O-CB 3.31Å; T23-Y27 WeakPolarHBondContact O-CB 3.39Å; T23-Y27 PolarHBondContact O-N 3.3Å
24Y53.9Low54.8Low13 Ų1365 Ų655%0.05129%0.291CS..Hα-helixtrans-70.8-42.9174.7179.2-86.8000113Y12 R16 P20 R21 E22 E26 Y27 S28Y12-Y24 HydrophobicContact CD2-CE2 4.45Å; Y12-Y24 AromaticContact CD2-CZ 3.86Å; Y12-Y24 WeakPolarHBondContact CD2-OH 3.28Å; Y12-Y24 HydrophobicContact CE2-CE1 4.29Å; Y12-Y24 AromaticContact CE2-CZ 3.67Å; Y12-Y24 WeakPolarHBondContact CE2-OH 3.36Å; R16-Y24 HydrophobicContact CB-CD2 4.08Å; R16-Y24 HydrophobicContact CB-CE2 4.25Å; P20-Y24 PolarHBondContact O-N 2.91Å; R21-Y24 PolarHBondContact O-N 3.38Å; E22-Y24 VanDerWaalsContact C-N 3.3Å; E22-Y24 PolarHBondContact O-N 3.23Å; Y24-E26 VanDerWaalsContact C-N 3.28Å; Y24-E26 PolarHBondContact O-N 3.23Å; Y24-Y27 CarbonylContact O-C 3.04Å; Y24-Y27 WeakPolarHBondContact O-CB 3.49Å; Y24-Y27 PolarHBondContact O-N 2.99Å; Y24-S28 WeakPolarHBondContact O-CB 3.19Å; Y24-S28 PolarHBondContact O-N 3.02Å
25D56.1Low53.8Low75 Ų7567.6 Ų67.640%0.40131%0.305SS..Hα-helixtrans-67.1-35.3178.5-77.4-22.5000109.9R21 E22 S29R21-D25 IonicContact NE-OD2 3.64Å; R21-D25 PolarHBondContact NE-OD2 3.4Å; R21-D25 WeakPolarHBondContact O-CB 3.49Å; R21-D25 PolarHBondContact O-N 3.41Å; E22-D25 PolarHBondContact O-N 2.82Å; D25-S29 WeakPolarHBondContact O-CB 3.27Å; D25-S29 PolarHBondContact O-N 2.77Å; D25-S29 PolarHBondContact O-OG 3.22Å
26E55.5Low52.5Low63 Ų6372.2 Ų72.229%0.29433%0.329SS..Hα-helixtrans-61-54.7166.5-168.4170.7-168.400110.8E22 Y24 S28 S29 I30 Y52 V56E22-E26 WeakPolarHBondContact O-CB 3.5Å; E22-E26 PolarHBondContact O-N 2.8Å; Y24-E26 VanDerWaalsContact C-N 3.28Å; Y24-E26 PolarHBondContact O-N 3.23Å; E26-S28 PolarHBondContact O-N 2.92Å; E26-S29 PolarHBondContact O-N 3.3Å; E26-S29 PolarHBondContact O-OG 2.97Å; E26-S29 VanDerWaalsContact O-OG 3.12Å; E26-I30 HydrophobicContact CB-CD1 4.49Å; E26-I30 HydrophobicContact CG-CD1 3.59Å; E26-I30 WeakPolarHBondContact O-CD1 3.44Å; E26-I30 PolarHBondContact O-N 2.74Å; E26-Y52 PolarHBondContact OE1-OH 2.83Å; E26-V56 HydrophobicContact CG-CG1 4.07Å; E26-V56 WeakPolarHBondContact OE1-CG1 3.22Å
27Y50.2Low51.6Low28 Ų2867.6 Ų67.611%0.1132%0.321CS..Hα-helixtrans-48.7-53.7174-178.7-77.8000112.5T15 T23 Y24 Y31 F53T15-Y27 HydrophobicContact CG2-CD2 4.37Å; T15-Y27 HydrophobicContact CG2-CE2 4.35Å; T23-Y27 VanDerWaalsContact O-CB 3.31Å; T23-Y27 WeakPolarHBondContact O-CB 3.39Å; T23-Y27 PolarHBondContact O-N 3.3Å; Y24-Y27 CarbonylContact O-C 3.04Å; Y24-Y27 WeakPolarHBondContact O-CB 3.49Å; Y24-Y27 PolarHBondContact O-N 2.99Å; Y27-Y31 HydrophobicContact CE1-CD2 4.3Å; Y27-Y31 HydrophobicContact CE1-CG 4.45Å; Y27-Y31 VanDerWaalsContact O-CB 3.23Å; Y27-Y31 WeakPolarHBondContact O-CB 3.48Å; Y27-Y31 PolarHBondContact O-N 3.22Å; Y27-F53 AromaticContact CD2-CE1 3.44Å; Y27-F53 HydrophobicContact CD2-CE1 3.44Å; Y27-F53 VanDerWaalsContact CD2-CE1 3.44Å; Y27-F53 AromaticContact CD2-CZ 3.85Å; Y27-F53 HydrophobicContact CD2-CZ 3.85Å; Y27-F53 AromaticContact CE2-CE1 3.23Å; Y27-F53 HydrophobicContact CE2-CE1 3.23Å; Y27-F53 AromaticContact CE2-CZ 3.28Å; Y27-F53 HydrophobicContact CE2-CZ 3.28Å; Y27-F53 AromaticContact CZ-CZ 3.96Å
28S51.6Low50.1Low17 Ų1768 Ų6812%0.11932%0.323CS..Hα-helixtrans-71.6-35.7-173.5179.50000112.7Y24 E26 R32Y24-S28 WeakPolarHBondContact O-CB 3.19Å; Y24-S28 PolarHBondContact O-N 3.02Å; E26-S28 PolarHBondContact O-N 2.92Å; S28-R32 WeakPolarHBondContact O-CB 3.05Å; S28-R32 WeakPolarHBondContact O-CG 3.21Å; S28-R32 PolarHBondContact O-N 3.5Å; S28-R32 VanDerWaalsContact O-N 3.11Å
29S50.6Low48.9Very low68 Ų6874.6 Ų74.648%0.47635%0.354SS..Hα-helixtrans-72.6-37.9178.661.90000111D25 E26 R33D25-S29 WeakPolarHBondContact O-CB 3.27Å; D25-S29 PolarHBondContact O-N 2.77Å; D25-S29 PolarHBondContact O-OG 3.22Å; E26-S29 PolarHBondContact O-N 3.3Å; E26-S29 PolarHBondContact O-OG 2.97Å; E26-S29 VanDerWaalsContact O-OG 3.12Å; S29-R33 WeakPolarHBondContact O-CB 3.25Å; S29-R33 PolarHBondContact O-N 2.64Å
30I47.1Very low47.8Very low24 Ų2479.2 Ų79.212%0.12338%0.379CS..Hα-helixtrans-72.9-44.5173.8-73.295.8000111.7E26 R32 R33 D34 Y52E26-I30 HydrophobicContact CB-CD1 4.49Å; E26-I30 HydrophobicContact CG-CD1 3.59Å; E26-I30 WeakPolarHBondContact O-CD1 3.44Å; E26-I30 PolarHBondContact O-N 2.74Å; I30-R32 PolarHBondContact O-N 2.81Å; I30-R33 PolarHBondContact O-N 3.22Å; I30-D34 WeakPolarHBondContact CG2-OD2 3.12Å; I30-D34 WeakPolarHBondContact O-CB 3.38Å; I30-D34 PolarHBondContact O-N 3.23Å; I30-Y52 HydrophobicContact CB-CD1 4.08Å; I30-Y52 HydrophobicContact CB-CE1 3.68Å; I30-Y52 HydrophobicContact CD1-CE1 3.5Å; I30-Y52 VanDerWaalsContact CD1-CE1 3.5Å; I30-Y52 VanDerWaalsContact CD1-CZ 3.44Å; I30-Y52 WeakPolarHBondContact CD1-OH 3.22Å; I30-Y52 HydrophobicContact CG1-CD1 4.17Å; I30-Y52 HydrophobicContact CG1-CE1 3.4Å; I30-Y52 HydrophobicContact CG1-CE2 4.21Å; I30-Y52 VanDerWaalsContact CG1-CZ 3.45Å; I30-Y52 HydrophobicContact CG2-CD1 3.52Å; I30-Y52 HydrophobicContact CG2-CE1 3.65Å; I30-Y52 HydrophobicContact CG2-CG 4.04Å
31Y46.1Very low46.9Very low46 Ų4681.7 Ų81.718%0.1839%0.39CS..Hα-helixtrans-57.4-38.8176.5-159.9-93.4000111.6Y27 L35 R49Y27-Y31 HydrophobicContact CE1-CD2 4.3Å; Y27-Y31 HydrophobicContact CE1-CG 4.45Å; Y27-Y31 VanDerWaalsContact O-CB 3.23Å; Y27-Y31 WeakPolarHBondContact O-CB 3.48Å; Y27-Y31 PolarHBondContact O-N 3.22Å; Y31-L35 HydrophobicContact CD1-CD1 3.54Å; Y31-L35 HydrophobicContact CD1-CG 4.08Å; Y31-L35 HydrophobicContact CE1-CD1 3.58Å; Y31-L35 HydrophobicContact CE1-CG 4.06Å; Y31-L35 VanDerWaalsContact O-CB 3.29Å; Y31-L35 WeakPolarHBondContact O-CB 3.44Å; Y31-L35 VanDerWaalsContact O-CG 3.31Å; Y31-L35 WeakPolarHBondContact O-CG 3.31Å; Y31-L35 PolarHBondContact O-N 2.85Å; Y31-R49 PolarHBondContact OH-NH1 3.06Å; Y31-R49 PolarHBondContact OH-NH2 2.74Å
32R44.7Very low46.1Very low165 Ų16581.1 Ų81.162%0.62340%0.4SS*.Hα-helixtrans-67.3-42.7171.8-78.9-175.5-162.51727.6112.9S28 I30 D34 L35 L36S28-R32 WeakPolarHBondContact O-CB 3.05Å; S28-R32 WeakPolarHBondContact O-CG 3.21Å; S28-R32 PolarHBondContact O-N 3.5Å; S28-R32 VanDerWaalsContact O-N 3.11Å; I30-R32 PolarHBondContact O-N 2.81Å; R32-D34 VanDerWaalsContact C-N 3.29Å; R32-D34 PolarHBondContact O-N 3.24Å; R32-L35 PolarHBondContact O-N 2.99Å; R32-L36 WeakPolarHBondContact O-CB 3.11Å; R32-L36 VanDerWaalsContact O-CG 3.27Å; R32-L36 WeakPolarHBondContact O-CG 3.38Å; R32-L36 PolarHBondContact O-N 3.15Å
33R45.6Very low45.5Very low177 Ų17778.2 Ų78.267%0.66840%0.398SS*.Hα-helixtrans-63.2-40.8178.9-163-175.581.5155.93.9110.9S29 I30 L36 S37S29-R33 WeakPolarHBondContact O-CB 3.25Å; S29-R33 PolarHBondContact O-N 2.64Å; I30-R33 PolarHBondContact O-N 3.22Å; R33-L36 PolarHBondContact O-N 3.29Å; R33-S37 VanDerWaalsContact O-CB 3.31Å; R33-S37 WeakPolarHBondContact O-CB 3.01Å; R33-S37 PolarHBondContact O-N 3.44Å
34D43.2Very low44.6Very low23 Ų2378.6 Ų78.612%0.12341%0.406CS..Hα-helixtrans-74.3-39.8179.1-67.4-10.4000110.9I30 R32 L36 S37 L38I30-D34 WeakPolarHBondContact CG2-OD2 3.12Å; I30-D34 WeakPolarHBondContact O-CB 3.38Å; I30-D34 PolarHBondContact O-N 3.23Å; R32-D34 VanDerWaalsContact C-N 3.29Å; R32-D34 PolarHBondContact O-N 3.24Å; D34-L36 VanDerWaalsContact C-N 3.32Å; D34-L36 PolarHBondContact O-N 2.85Å; D34-S37 CarbonylContact O-C 3.36Å; D34-S37 WeakPolarHBondContact O-CB 3.1Å; D34-S37 PolarHBondContact O-N 2.94Å; D34-S37 VanDerWaalsContact O-N 3.16Å; D34-L38 WeakPolarHBondContact O-CB 3.17Å; D34-L38 VanDerWaalsContact O-CD1 3.23Å; D34-L38 WeakPolarHBondContact O-CD1 3.06Å; D34-L38 WeakPolarHBondContact O-CG 3.3Å; D34-L38 PolarHBondContact O-N 2.97Å
35L41Very low43.9Very low54 Ų5480.8 Ų80.828%0.28342%0.419SS..Hα-helixtrans-56.6-43.9169.8-84.6171.3000112.3Y31 R32 L38 E39Y31-L35 HydrophobicContact CD1-CD1 3.54Å; Y31-L35 HydrophobicContact CD1-CG 4.08Å; Y31-L35 HydrophobicContact CE1-CD1 3.58Å; Y31-L35 HydrophobicContact CE1-CG 4.06Å; Y31-L35 VanDerWaalsContact O-CB 3.29Å; Y31-L35 WeakPolarHBondContact O-CB 3.44Å; Y31-L35 VanDerWaalsContact O-CG 3.31Å; Y31-L35 WeakPolarHBondContact O-CG 3.31Å; Y31-L35 PolarHBondContact O-N 2.85Å; R32-L35 PolarHBondContact O-N 2.99Å; L35-L38 WeakPolarHBondContact O-CB 3.14Å; L35-L38 PolarHBondContact O-N 3.46Å; L35-E39 WeakPolarHBondContact O-CG 3.45Å; L35-E39 PolarHBondContact O-N 2.89Å
36L37.1Very low43Very low102 Ų10279.8 Ų79.853%0.53442%0.417SS..Hα-helixtrans-71.5-30.7177-68.8170.5000112.5R32 R33 D34 N40R32-L36 WeakPolarHBondContact O-CB 3.11Å; R32-L36 VanDerWaalsContact O-CG 3.27Å; R32-L36 WeakPolarHBondContact O-CG 3.38Å; R32-L36 PolarHBondContact O-N 3.15Å; R33-L36 PolarHBondContact O-N 3.29Å; D34-L36 VanDerWaalsContact C-N 3.32Å; D34-L36 PolarHBondContact O-N 2.85Å; L36-N40 PolarHBondContact O-N 3.35Å; L36-N40 PolarHBondContact O-ND2 2.79Å
37S44.7Very low42.1Very low60 Ų6078 Ų7842%0.4241%0.413SS..Hα-helixtrans-70.6-37172.3-169.80000111.6R33 D34 N40 N41R33-S37 VanDerWaalsContact O-CB 3.31Å; R33-S37 WeakPolarHBondContact O-CB 3.01Å; R33-S37 PolarHBondContact O-N 3.44Å; D34-S37 CarbonylContact O-C 3.36Å; D34-S37 WeakPolarHBondContact O-CB 3.1Å; D34-S37 PolarHBondContact O-N 2.94Å; D34-S37 VanDerWaalsContact O-N 3.16Å; S37-N40 PolarHBondContact O-N 3.09Å; S37-N41 PolarHBondContact O-N 2.79Å
38L35.3Very low41.3Very low46 Ų4681.7 Ų81.724%0.24144%0.435CS..Hα-helixtrans-67.9-39176.6-75.4160.9000111.9D34 L35 N40 N41 G44D34-L38 WeakPolarHBondContact O-CB 3.17Å; D34-L38 VanDerWaalsContact O-CD1 3.23Å; D34-L38 WeakPolarHBondContact O-CD1 3.06Å; D34-L38 WeakPolarHBondContact O-CG 3.3Å; D34-L38 PolarHBondContact O-N 2.97Å; L35-L38 WeakPolarHBondContact O-CB 3.14Å; L35-L38 PolarHBondContact O-N 3.46Å; L38-N40 VanDerWaalsContact C-N 3.28Å; L38-N40 PolarHBondContact O-N 2.99Å; L38-N41 CarbonylContact O-C 3.58Å; L38-N41 VanDerWaalsContact O-O 3.12Å; L38-G44 WeakPolarHBondContact CD2-O 3.28Å
39E40Very low40.5Very low146 Ų14683 Ų8368%0.68244%0.437SS*.Hα-helixtrans-65.3-31.7173.4-77.3-176.9164.800112.4L35L35-E39 WeakPolarHBondContact O-CG 3.45Å; L35-E39 PolarHBondContact O-N 2.89Å
40N41.5Very low39.7Very low130 Ų13082.7 Ų82.770%0.69544%0.439SS*.Hα-helixtrans-91.8-19-177.8-73.4-57.5000114.1L36 S37 L38L36-N40 PolarHBondContact O-N 3.35Å; L36-N40 PolarHBondContact O-ND2 2.79Å; S37-N40 PolarHBondContact O-N 3.09Å; L38-N40 VanDerWaalsContact C-N 3.28Å; L38-N40 PolarHBondContact O-N 2.99Å
41N38Very low39Very low98 Ų9887.4 Ų87.452%0.52446%0.463SS..  trans-129.399.7174.6-66.5-64000108.6S37 L38 S43 G44S37-N41 PolarHBondContact O-N 2.79Å; L38-N41 CarbonylContact O-C 3.58Å; L38-N41 VanDerWaalsContact O-O 3.12Å; N41-S43 PolarHBondContact O-N 3.44Å; N41-G44 PolarHBondContact O-N 2.79Å
42L36.2Very low38.7Very low182 Ų18288.6 Ų88.695%0.95347%0.467SS*.THydrogen-bonded Turntrans-61.121.3177.8-75.2165.8000114.9
43S41.5Very low38.5Very low106 Ų10683.3 Ų83.374%0.74145%0.449SS*.THydrogen-bonded Turntrans-136.56.9173.575.60000114.2N41 N45N41-S43 PolarHBondContact O-N 3.44Å; S43-N45 PolarHBondContact O-N 2.95Å; S43-N45 VanDerWaalsContact O-N 3.13Å
44G37.9Very low38Very low28 Ų2877.1 Ų77.129%0.28944%0.44SS..  trans-63.4115.4171.100000108.4L38 N41L38-G44 WeakPolarHBondContact CD2-O 3.28Å; N41-G44 PolarHBondContact O-N 2.79Å
45N38.1Very low37.4Very low59 Ų5979.6 Ų79.632%0.31646%0.456SS..  trans-98.9151-176.8-168-22.2000108S43 A47 D48S43-N45 PolarHBondContact O-N 2.95Å; S43-N45 VanDerWaalsContact O-N 3.13Å; N45-A47 PolarHBondContact O-N 2.89Å; N45-D48 PolarHBondContact O-N 3.26Å; N45-D48 VanDerWaalsContact O-N 3.08Å
46C38.2Very low37.3Very low53 Ų5377.8 Ų77.836%0.35845%0.447SS..THydrogen-bonded Turntrans-52.4-8.9177.1-66.40000114.7D48 R49 A50C46-D48 VanDerWaalsContact C-N 3.33Å; C46-D48 PolarHBondContact O-N 3.4Å; C46-R49 WeakPolarHBondContact O-CB 3.2Å; C46-R49 PolarHBondContact O-N 2.92Å; C46-A50 PolarHBondContact O-N 3.39Å
47A35Very low37.3Very low26 Ų2676.4 Ų76.422%0.21545%0.451CS..Hα-helixtrans-58.2-37.8170.100000113.9N45 R49 A50 I51 Q152N45-A47 PolarHBondContact O-N 2.89Å; A47-R49 PolarHBondContact O-N 3.37Å; A47-A50 PolarHBondContact O-N 2.86Å; A47-I51 PolarHBondContact O-N 3.42Å; A47-Q152 VanDerWaalsContact CB-NE2 3.31Å
48D34.2Very low36.9Very low106 Ų10677.9 Ų77.957%0.56746%0.461SS*.Hα-helixtrans-65.8-30.5176.7-73.5-27.2000111.2N45 C46N45-D48 PolarHBondContact O-N 3.26Å; N45-D48 VanDerWaalsContact O-N 3.08Å; C46-D48 VanDerWaalsContact C-N 3.33Å; C46-D48 PolarHBondContact O-N 3.4Å
49R35.7Very low37.3Very low44 Ų4479.9 Ų79.917%0.16648%0.479CS..Hα-helixtrans-66.4-44.4176.8-66.8175.9155.5176.3-9.9111.8Y31 C46 A47 Y52 F53Y31-R49 PolarHBondContact OH-NH1 3.06Å; Y31-R49 PolarHBondContact OH-NH2 2.74Å; C46-R49 WeakPolarHBondContact O-CB 3.2Å; C46-R49 PolarHBondContact O-N 2.92Å; A47-R49 PolarHBondContact O-N 3.37Å; R49-Y52 PolarHBondContact O-N 2.81Å; R49-F53 HydrophobicContact CB-CE2 4.34Å; R49-F53 WeakPolarHBondContact O-CD2 3.37Å; R49-F53 PolarHBondContact O-N 3Å
50A33Very low37.4Very low62 Ų6274.5 Ų74.551%0.51246%0.458SS..Hα-helixtrans-72.6-37.6-17600000114.3C46 A47 Y52 F53 G54C46-A50 PolarHBondContact O-N 3.39Å; A47-A50 PolarHBondContact O-N 2.86Å; A50-Y52 PolarHBondContact O-N 3.5Å; A50-F53 PolarHBondContact O-N 2.82Å; A50-G54 PolarHBondContact O-N 2.97Å
51I33.2Very low37.2Very low122 Ų12275.1 Ų75.163%0.62647%0.466SS*.Hα-helixtrans-62.2-35.4176.4-66172.4000110.3A47 T55A47-I51 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-N 3.01Å; I51-T55 PolarHBondContact O-OG1 3.27Å
52Y39.3Very low37.1Very low71 Ų7174.3 Ų74.328%0.27846%0.462SS..Hα-helixtrans-72.4-41.4176.8-168.1-99.7000112.6E26 I30 R49 A50 G54 T55 V56E26-Y52 PolarHBondContact OE1-OH 2.83Å; I30-Y52 HydrophobicContact CB-CD1 4.08Å; I30-Y52 HydrophobicContact CB-CE1 3.68Å; I30-Y52 HydrophobicContact CD1-CE1 3.5Å; I30-Y52 VanDerWaalsContact CD1-CE1 3.5Å; I30-Y52 VanDerWaalsContact CD1-CZ 3.44Å; I30-Y52 WeakPolarHBondContact CD1-OH 3.22Å; I30-Y52 HydrophobicContact CG1-CD1 4.17Å; I30-Y52 HydrophobicContact CG1-CE1 3.4Å; I30-Y52 HydrophobicContact CG1-CE2 4.21Å; I30-Y52 VanDerWaalsContact CG1-CZ 3.45Å; I30-Y52 HydrophobicContact CG2-CD1 3.52Å; I30-Y52 HydrophobicContact CG2-CE1 3.65Å; I30-Y52 HydrophobicContact CG2-CG 4.04Å; R49-Y52 PolarHBondContact O-N 2.81Å; A50-Y52 PolarHBondContact O-N 3.5Å; Y52-G54 VanDerWaalsContact C-N 3.34Å; Y52-G54 PolarHBondContact O-N 3.18Å; Y52-T55 WeakPolarHBondContact O-CA 3.49Å; Y52-T55 WeakPolarHBondContact O-CB 3.15Å; Y52-T55 PolarHBondContact O-N 3.41Å; Y52-V56 HydrophobicContact CD1-CG1 3.81Å; Y52-V56 HydrophobicContact CE1-CB 4.39Å; Y52-V56 HydrophobicContact CE1-CG1 3.11Å; Y52-V56 HydrophobicContact CE1-CG2 4.44Å; Y52-V56 HydrophobicContact CE2-CG1 4.13Å; Y52-V56 PolarHBondContact O-N 3.32Å; Y52-V56 WeakPolarHBondContact OH-CG1 3.37Å
53F40.7Very low37Very low55 Ų5570.7 Ų70.724%0.24145%0.447CS..Hα-helixtrans-53.8-47.2174.2-82-64.9000113.1Y27 R49 A50 T55 V56 A57Y27-F53 AromaticContact CD2-CE1 3.44Å; Y27-F53 HydrophobicContact CD2-CE1 3.44Å; Y27-F53 VanDerWaalsContact CD2-CE1 3.44Å; Y27-F53 AromaticContact CD2-CZ 3.85Å; Y27-F53 HydrophobicContact CD2-CZ 3.85Å; Y27-F53 AromaticContact CE2-CE1 3.23Å; Y27-F53 HydrophobicContact CE2-CE1 3.23Å; Y27-F53 AromaticContact CE2-CZ 3.28Å; Y27-F53 HydrophobicContact CE2-CZ 3.28Å; Y27-F53 AromaticContact CZ-CZ 3.96Å; R49-F53 HydrophobicContact CB-CE2 4.34Å; R49-F53 WeakPolarHBondContact O-CD2 3.37Å; R49-F53 PolarHBondContact O-N 3Å; A50-F53 PolarHBondContact O-N 2.82Å; F53-T55 PolarHBondContact O-N 3.09Å; F53-V56 WeakPolarHBondContact O-CG2 3.48Å; F53-V56 PolarHBondContact O-N 3.27Å; F53-A57 WeakPolarHBondContact O-CB 3.27Å; F53-A57 PolarHBondContact O-N 3.2Å; F53-A57 VanDerWaalsContact O-N 3.12Å
54G34.2Very low36.8Very low47 Ų4771.3 Ų71.349%0.48545%0.448SS..Hα-helixtrans-59.9-27.9175.300000113A50 Y52 S58A50-G54 PolarHBondContact O-N 2.97Å; Y52-G54 VanDerWaalsContact C-N 3.34Å; Y52-G54 PolarHBondContact O-N 3.18Å; G54-S58 VanDerWaalsContact O-CB 3.31Å; G54-S58 WeakPolarHBondContact O-CB 3.31Å; G54-S58 PolarHBondContact O-N 2.94Å; G54-S58 PolarHBondContact O-OG 2.85Å
55T30.4Very low36.9Very low75 Ų7573.5 Ų73.546%0.4646%0.456SS..Hα-helixtrans-84.1-40.8-178.7-51.90000112.5I51 Y52 F53 S58 S59I51-T55 PolarHBondContact O-N 3.01Å; I51-T55 PolarHBondContact O-OG1 3.27Å; Y52-T55 WeakPolarHBondContact O-CA 3.49Å; Y52-T55 WeakPolarHBondContact O-CB 3.15Å; Y52-T55 PolarHBondContact O-N 3.41Å; F53-T55 PolarHBondContact O-N 3.09Å; T55-S58 PolarHBondContact O-N 3.41Å; T55-S58 PolarHBondContact O-OG 2.59Å; T55-S59 WeakPolarHBondContact O-CB 3.2Å; T55-S59 PolarHBondContact O-N 2.98Å
56V39.3Very low37.4Very low15 Ų1574.3 Ų74.39%0.09146%0.463CS..Hα-helixtrans-73.2-37.8179.1-64.40000112.8E26 Y52 F53 S58 S59 S60E26-V56 HydrophobicContact CG-CG1 4.07Å; E26-V56 WeakPolarHBondContact OE1-CG1 3.22Å; Y52-V56 HydrophobicContact CD1-CG1 3.81Å; Y52-V56 HydrophobicContact CE1-CB 4.39Å; Y52-V56 HydrophobicContact CE1-CG1 3.11Å; Y52-V56 HydrophobicContact CE1-CG2 4.44Å; Y52-V56 HydrophobicContact CE2-CG1 4.13Å; Y52-V56 PolarHBondContact O-N 3.32Å; Y52-V56 WeakPolarHBondContact OH-CG1 3.37Å; F53-V56 WeakPolarHBondContact O-CG2 3.48Å; F53-V56 PolarHBondContact O-N 3.27Å; V56-S58 VanDerWaalsContact C-N 3.28Å; V56-S58 PolarHBondContact O-N 3.32Å; V56-S59 PolarHBondContact O-N 2.92Å; V56-S60 PolarHBondContact O-N 2.64Å; V56-S60 VanDerWaalsContact O-N 3.1Å; V56-S60 PolarHBondContact O-OG 3.32Å
57A36.4Very low38.4Very low74 Ų7475.3 Ų75.361%0.61246%0.46SS*.Hα-helixtrans-67.4-29.5175.900000112.2F53F53-A57 WeakPolarHBondContact O-CB 3.27Å; F53-A57 PolarHBondContact O-N 3.2Å; F53-A57 VanDerWaalsContact O-N 3.12Å
58S37.4Very low40Very low91 Ų9177.7 Ų77.764%0.63647%0.469SS*.Hα-helixtrans-90.4-25.3177.156.60000114.1G54 T55 V56G54-S58 VanDerWaalsContact O-CB 3.31Å; G54-S58 WeakPolarHBondContact O-CB 3.31Å; G54-S58 PolarHBondContact O-N 2.94Å; G54-S58 PolarHBondContact O-OG 2.85Å; T55-S58 PolarHBondContact O-N 3.41Å; T55-S58 PolarHBondContact O-OG 2.59Å; V56-S58 VanDerWaalsContact C-N 3.28Å; V56-S58 PolarHBondContact O-N 3.32Å
59S43.8Very low42Very low87 Ų8775.6 Ų75.661%0.60846%0.455SS*.Hα-helixtrans-78.2-37.5177.6-1780000112.1T55 V56 T61T55-S59 WeakPolarHBondContact O-CB 3.2Å; T55-S59 PolarHBondContact O-N 2.98Å; V56-S59 PolarHBondContact O-N 2.92Å; S59-T61 PolarHBondContact O-N 2.97Å
60S41.5Very low44.5Very low34 Ų3476 Ų7624%0.23846%0.46CS..SBendtrans-72.2116.1169.7-61.90000107.6V56 L62V56-S60 PolarHBondContact O-N 2.64Å; V56-S60 VanDerWaalsContact O-N 3.1Å; V56-S60 PolarHBondContact O-OG 3.32Å; S60-L62 PolarHBondContact O-N 3.49Å
61T36.8Very low47.1Very low143 Ų14374.3 Ų74.388%0.87744%0.443SS*.  trans-69.641.7174-7.70000110.9S59 V63S59-T61 PolarHBondContact O-N 2.97Å; T61-V63 VanDerWaalsContact C-N 3.31Å; T61-V63 PolarHBondContact O-N 3.27Å
62L37.1Very low49.8Very low81 Ų8175.8 Ų75.842%0.42445%0.447SS..  trans-72.395.7171.1-70.5169.3000105.4P20 S60P20-L62 HydrophobicContact CG-CD1 4.41Å; P20-L62 HydrophobicContact CG-CD2 4.4Å; S60-L62 PolarHBondContact O-N 3.49Å
63V34.2Very low52Low106 Ų10676.7 Ų76.764%0.64246%0.456SS*.  trans-29.6131.1148.3-178.80000107.2T61 T65T61-V63 VanDerWaalsContact C-N 3.31Å; T61-V63 PolarHBondContact O-N 3.27Å; V63-T65 PolarHBondContact O-N 2.83Å
64P35.6Very low54.1Low118 Ų11874.1 Ų74.177%0.76645%0.445SS*.  trans-66.178.617328-31.9000107V66P64-V66 PolarHBondContact O-N 2.94Å
65T41.2Very low56.5Low75 Ų7576.2 Ų76.246%0.4644%0.442SS..  trans-66.992152.653.80000101.6V63 Y67V63-T65 PolarHBondContact O-N 2.83Å; T65-Y67 VanDerWaalsContact C-N 3.25Å; T65-Y67 VanDerWaalsContact O-CD2 3.27Å; T65-Y67 WeakPolarHBondContact O-CD2 2.78Å; T65-Y67 PolarHBondContact O-N 3Å; T65-Y67 VanDerWaalsContact OG1-CE1 3.27Å; T65-Y67 WeakPolarHBondContact OG1-CE1 3.12Å
66V47.9Very low59.1Low75 Ų7578.8 Ų78.846%0.45545%0.447SS..  trans-44.2107.7158.9-1680000103.6P64 D68 E109P64-V66 PolarHBondContact O-N 2.94Å; V66-D68 VanDerWaalsContact CG1-CG 3.47Å; V66-D68 WeakPolarHBondContact CG1-OD1 3.37Å; V66-D68 WeakPolarHBondContact CG1-OD2 3.39Å; V66-D68 PolarHBondContact O-N 3.17Å; V66-E109 HydrophobicContact CG1-CG 3.86Å; V66-E109 WeakPolarHBondContact CG1-OE1 2.84Å
67Y58.8Low61.1Low74 Ų7481.1 Ų81.129%0.2946%0.458SS..  trans-79.965.8-173.6-68.3-77.1000106.7W18 T65 F69W18-Y67 PolarHBondContact NE1-O 3.39Å; T65-Y67 VanDerWaalsContact C-N 3.25Å; T65-Y67 VanDerWaalsContact O-CD2 3.27Å; T65-Y67 WeakPolarHBondContact O-CD2 2.78Å; T65-Y67 PolarHBondContact O-N 3Å; T65-Y67 VanDerWaalsContact OG1-CE1 3.27Å; T65-Y67 WeakPolarHBondContact OG1-CE1 3.12Å; Y67-F69 PolarHBondContact O-N 3.11Å; Y67-F69 VanDerWaalsContact O-N 3.09Å
68D69.1Low63.2Low77 Ų7778 Ų7841%0.41243%0.431SS..  trans-71.9101173.7-64.2-27.6000106.2V66 F107V66-D68 VanDerWaalsContact CG1-CG 3.47Å; V66-D68 WeakPolarHBondContact CG1-OD1 3.37Å; V66-D68 WeakPolarHBondContact CG1-OD2 3.39Å; V66-D68 PolarHBondContact O-N 3.17Å; D68-F107 HydrophobicContact CB-CB 4.38Å; D68-F107 HydrophobicContact CB-CD2 3.51Å; D68-F107 HydrophobicContact CB-CE2 3.97Å; D68-F107 HydrophobicContact CB-CG 4.09Å; D68-F107 VanDerWaalsContact CG-CD2 3.46Å; D68-F107 VanDerWaalsContact OD1-CD2 3.3Å; D68-F107 WeakPolarHBondContact OD1-CD2 3.34Å; D68-F107 WeakPolarHBondContact OD1-CE2 3.39Å
69F76.7Confident65.3Low62 Ų6276.8 Ų76.827%0.27242%0.415SS..EExtended strand (participates in β ladder)trans-92.2130.5175.9-146.5-55.4000107.5Y67 L71 D73 F74 I77 F107 I108Y67-F69 PolarHBondContact O-N 3.11Å; Y67-F69 VanDerWaalsContact O-N 3.09Å; F69-L71 PolarHBondContact O-N 3.01Å; F69-D73 HydrophobicContact CD1-CB 4.12Å; F69-D73 HydrophobicContact CE1-CB 3.61Å; F69-F74 HydrophobicContact CB-CB 4.1Å; F69-F74 HydrophobicContact CB-CD2 4.33Å; F69-F74 HydrophobicContact CD1-CB 3.78Å; F69-F74 HydrophobicContact CD2-CD2 4.24Å; F69-F74 HydrophobicContact CE1-CB 4.47Å; F69-F74 HydrophobicContact CG-CB 3.93Å; F69-F74 HydrophobicContact CG-CD2 4.18Å; F69-I77 HydrophobicContact CE1-CD1 3.89Å; F69-I77 HydrophobicContact CE2-CD1 4.39Å; F69-I77 HydrophobicContact CZ-CD1 3.41Å; F69-I77 VanDerWaalsContact CZ-CD1 3.41Å; F69-F107 CarbonylContact O-C 3.56Å; F69-F107 WeakPolarHBondContact O-CA 3.15Å; F69-F107 VanDerWaalsContact O-CB 3.27Å; F69-F107 WeakPolarHBondContact O-CB 3.32Å; F69-I108 HydrophobicContact CB-CG2 3.89Å; F69-I108 PolarHBondContact N-O 3.22Å; F69-I108 PolarHBondContact O-N 3.38Å
70N87.6Confident67Low52 Ų5279.1 Ų79.128%0.27842%0.416SS..EExtended strand (participates in β ladder)trans-49.8130.7168174-88.3000110.1E72 D73 F74N70-E72 VanDerWaalsContact C-N 3.34Å; N70-E72 PolarHBondContact O-N 3.21Å; N70-E72 PolarHBondContact OD1-N 3.49Å; N70-E72 VanDerWaalsContact OD1-N 3.12Å; N70-D73 HydrophobicContact CB-CB 4.23Å; N70-D73 PolarHBondContact O-N 2.94Å; N70-D73 PolarHBondContact OD1-N 3.49Å; N70-D73 VanDerWaalsContact OD1-N 3.07Å; N70-F74 WeakPolarHBondContact O-CB 3.46Å; N70-F74 PolarHBondContact O-N 3.43Å
71L88Confident68.7Low27 Ų2780 Ų8014%0.14142%0.423CS..Hα-helixtrans-62.4-41.3-168.8-171.264.8000112.6F69 F74 E75 F90 V99 A106 I108F69-L71 PolarHBondContact O-N 3.01Å; L71-F74 PolarHBondContact O-N 3.17Å; L71-E75 PolarHBondContact O-N 3.13Å; L71-F90 HydrophobicContact CD1-CD1 4.48Å; L71-F90 HydrophobicContact CD1-CE1 3.47Å; L71-F90 VanDerWaalsContact CD1-CE1 3.47Å; L71-F90 HydrophobicContact CD1-CE2 4.46Å; L71-F90 HydrophobicContact CD1-CZ 3.45Å; L71-F90 VanDerWaalsContact CD1-CZ 3.45Å; L71-F90 HydrophobicContact CG-CE1 4.44Å; L71-F90 HydrophobicContact CG-CZ 3.94Å; L71-V99 HydrophobicContact CD1-CG1 3.79Å; L71-V99 HydrophobicContact CD1-CG2 4.24Å; L71-V99 HydrophobicContact CD2-CG1 3.79Å; L71-V99 HydrophobicContact CG-CG1 4.47Å; L71-A106 HydrophobicContact CB-CB 4.05Å; L71-A106 HydrophobicContact CD2-CB 4.01Å; L71-A106 PolarHBondContact N-O 3.35Å; L71-I108 HydrophobicContact CD1-CB 3.9Å; L71-I108 HydrophobicContact CD1-CG2 4.28Å
72E90.3Very high70.5Confident152 Ų15273.9 Ų73.971%0.7139%0.385SS*.Hα-helixtrans-69.3-43.9-179.1-62.6-175.9173.400111.6N70 F74 E75 K76N70-E72 VanDerWaalsContact C-N 3.34Å; N70-E72 PolarHBondContact O-N 3.21Å; N70-E72 PolarHBondContact OD1-N 3.49Å; N70-E72 VanDerWaalsContact OD1-N 3.12Å; E72-F74 VanDerWaalsContact C-N 3.32Å; E72-F74 PolarHBondContact O-N 3.45Å; E72-E75 PolarHBondContact O-N 2.84Å; E72-K76 PolarHBondContact O-N 3.5Å; E72-K76 VanDerWaalsContact O-N 3.1Å
73D85.8Confident72.4Confident91 Ų9173.8 Ų73.849%0.48739%0.389SS..Hα-helixtrans-64.6-40.6177.2-70.8-33.8000111.2F69 N70 K76 I77F69-D73 HydrophobicContact CD1-CB 4.12Å; F69-D73 HydrophobicContact CE1-CB 3.61Å; N70-D73 HydrophobicContact CB-CB 4.23Å; N70-D73 PolarHBondContact O-N 2.94Å; N70-D73 PolarHBondContact OD1-N 3.49Å; N70-D73 VanDerWaalsContact OD1-N 3.07Å; D73-K76 PolarHBondContact O-N 3.32Å; D73-I77 WeakPolarHBondContact O-CD1 3.27Å; D73-I77 VanDerWaalsContact O-CG1 3.28Å; D73-I77 WeakPolarHBondContact O-CG1 3.27Å; D73-I77 PolarHBondContact O-N 2.94Å
74F83.4Confident74.5Confident1 Ų177 Ų770%0.00440%0.403CS..Hα-helixtrans-60.2-50.6176.2176.3-92.3000111.3L17 W18 F69 N70 L71 E72 K76 I77 W78 F90 L93 I108L17-F74 HydrophobicContact CB-CE2 4.05Å; L17-F74 HydrophobicContact CD1-CD2 4.47Å; L17-F74 HydrophobicContact CD1-CE2 3.56Å; L17-F74 HydrophobicContact CD1-CZ 3.8Å; L17-F74 HydrophobicContact CG-CE2 4.45Å; W18-F74 HydrophobicContact CD2-CE2 4.26Å; W18-F74 AromaticContact CE2-CE2 3.88Å; W18-F74 HydrophobicContact CE3-CE2 4.01Å; W18-F74 HydrophobicContact CE3-CZ 4.46Å; W18-F74 AromaticContact CH2-CD2 3.94Å; W18-F74 HydrophobicContact CH2-CD2 3.94Å; W18-F74 AromaticContact CH2-CE1 3.83Å; W18-F74 HydrophobicContact CH2-CE1 3.83Å; W18-F74 AromaticContact CH2-CE2 3.03Å; W18-F74 HydrophobicContact CH2-CE2 3.03Å; W18-F74 AromaticContact CH2-CZ 2.98Å; W18-F74 HydrophobicContact CH2-CZ 2.98Å; W18-F74 AromaticContact CZ2-CD2 3.77Å; W18-F74 HydrophobicContact CZ2-CD2 3.77Å; W18-F74 HydrophobicContact CZ2-CE1 4.38Å; W18-F74 AromaticContact CZ2-CE2 3.32Å; W18-F74 HydrophobicContact CZ2-CE2 3.32Å; W18-F74 HydrophobicContact CZ2-CG 4.49Å; W18-F74 AromaticContact CZ2-CZ 3.7Å; W18-F74 HydrophobicContact CZ2-CZ 3.7Å; W18-F74 HydrophobicContact CZ3-CD2 4.5Å; W18-F74 AromaticContact CZ3-CE2 3.34Å; W18-F74 HydrophobicContact CZ3-CE2 3.34Å; W18-F74 AromaticContact CZ3-CZ 3.39Å; W18-F74 HydrophobicContact CZ3-CZ 3.39Å; F69-F74 HydrophobicContact CB-CB 4.1Å; F69-F74 HydrophobicContact CB-CD2 4.33Å; F69-F74 HydrophobicContact CD1-CB 3.78Å; F69-F74 HydrophobicContact CD2-CD2 4.24Å; F69-F74 HydrophobicContact CE1-CB 4.47Å; F69-F74 HydrophobicContact CG-CB 3.93Å; F69-F74 HydrophobicContact CG-CD2 4.18Å; N70-F74 WeakPolarHBondContact O-CB 3.46Å; N70-F74 PolarHBondContact O-N 3.43Å; L71-F74 PolarHBondContact O-N 3.17Å; E72-F74 VanDerWaalsContact C-N 3.32Å; E72-F74 PolarHBondContact O-N 3.45Å; F74-K76 VanDerWaalsContact C-N 3.27Å; F74-K76 PolarHBondContact O-N 3.44Å; F74-I77 PolarHBondContact O-N 2.69Å; F74-W78 HydrophobicContact CD1-CE3 4.43Å; F74-W78 HydrophobicContact CE1-CB 4.04Å; F74-W78 AromaticContact CE1-CD2 3.97Å; F74-W78 HydrophobicContact CE1-CD2 3.97Å; F74-W78 AromaticContact CE1-CE3 3.54Å; F74-W78 HydrophobicContact CE1-CE3 3.54Å; F74-W78 HydrophobicContact CE1-CG 4.23Å; F74-W78 HydrophobicContact CE1-CZ3 4.21Å; F74-W78 HydrophobicContact CZ-CB 4.06Å; F74-W78 HydrophobicContact CZ-CD2 4.17Å; F74-W78 HydrophobicContact CZ-CE3 4.18Å; F74-W78 HydrophobicContact CZ-CG 4.16Å; F74-W78 WeakPolarHBondContact O-CB 3.48Å; F74-W78 PolarHBondContact O-N 2.79Å; F74-F90 HydrophobicContact CD1-CE1 4.37Å; F74-L93 HydrophobicContact CE1-CD1 3.67Å; F74-L93 HydrophobicContact CZ-CD1 4.14Å; F74-I108 HydrophobicContact CB-CG2 3.77Å; F74-I108 HydrophobicContact CD1-CD1 4.27Å; F74-I108 HydrophobicContact CD1-CG2 3.93Å; F74-I108 HydrophobicContact CD2-CG2 4.08Å; F74-I108 HydrophobicContact CE1-CD1 4.21Å; F74-I108 HydrophobicContact CG-CG2 3.61Å
75E85.9Confident76.7Confident91 Ų9175.5 Ų75.543%0.42541%0.409SS..Hα-helixtrans-58-42.7-179.6-174.6176.2-171.800111.2L71 E72 W78 Q79 F90L71-E75 PolarHBondContact O-N 3.13Å; E72-E75 PolarHBondContact O-N 2.84Å; E75-W78 PolarHBondContact O-N 3.11Å; E75-Q79 VanDerWaalsContact O-CB 3.26Å; E75-Q79 WeakPolarHBondContact O-CB 3.28Å; E75-Q79 PolarHBondContact O-N 3.19Å; E75-F90 HydrophobicContact CB-CZ 4.34Å
76K83.8Confident78.5Confident129 Ų12974.6 Ų74.656%0.56140%0.4SS*.Hα-helixtrans-62.4-52177.2-177-177.6174-172.60112.3E72 D73 F74 W78 Q79 E80E72-K76 PolarHBondContact O-N 3.5Å; E72-K76 VanDerWaalsContact O-N 3.1Å; D73-K76 PolarHBondContact O-N 3.32Å; F74-K76 VanDerWaalsContact C-N 3.27Å; F74-K76 PolarHBondContact O-N 3.44Å; K76-W78 VanDerWaalsContact C-N 3.28Å; K76-W78 PolarHBondContact O-N 3.23Å; K76-Q79 PolarHBondContact O-N 3.35Å; K76-E80 WeakPolarHBondContact CE-OE1 3.49Å; K76-E80 WeakPolarHBondContact O-CG 3.06Å; K76-E80 PolarHBondContact O-N 2.61Å
77I81.3Confident80.1Confident63 Ų6377.5 Ų77.532%0.32341%0.412SS..Hα-helixtrans-64.4-38.3-178.2-66.5164.6000110.4L17 F69 D73 F74 E80 S81L17-I77 HydrophobicContact CD2-CG2 3.61Å; F69-I77 HydrophobicContact CE1-CD1 3.89Å; F69-I77 HydrophobicContact CE2-CD1 4.39Å; F69-I77 HydrophobicContact CZ-CD1 3.41Å; F69-I77 VanDerWaalsContact CZ-CD1 3.41Å; D73-I77 WeakPolarHBondContact O-CD1 3.27Å; D73-I77 VanDerWaalsContact O-CG1 3.28Å; D73-I77 WeakPolarHBondContact O-CG1 3.27Å; D73-I77 PolarHBondContact O-N 2.94Å; F74-I77 PolarHBondContact O-N 2.69Å; I77-E80 PolarHBondContact O-N 3.42Å; I77-S81 WeakPolarHBondContact O-CB 3.37Å; I77-S81 PolarHBondContact O-N 2.99Å; I77-S81 PolarHBondContact O-OG 3.08Å
78W81.7Confident81.2Confident9 Ų974.8 Ų74.83%0.03440%0.403CS..Hα-helixtrans-64.6-45.2177-176.925000111.7I14 L17 F74 E75 K76 E80 S81 V82 T88 S89 H92 L93I14-W78 HydrophobicContact CG1-CZ2 4.42Å; L17-W78 HydrophobicContact CD1-CB 3.68Å; L17-W78 HydrophobicContact CD1-CG 3.91Å; F74-W78 HydrophobicContact CD1-CE3 4.43Å; F74-W78 HydrophobicContact CE1-CB 4.04Å; F74-W78 AromaticContact CE1-CD2 3.97Å; F74-W78 HydrophobicContact CE1-CD2 3.97Å; F74-W78 AromaticContact CE1-CE3 3.54Å; F74-W78 HydrophobicContact CE1-CE3 3.54Å; F74-W78 HydrophobicContact CE1-CG 4.23Å; F74-W78 HydrophobicContact CE1-CZ3 4.21Å; F74-W78 HydrophobicContact CZ-CB 4.06Å; F74-W78 HydrophobicContact CZ-CD2 4.17Å; F74-W78 HydrophobicContact CZ-CE3 4.18Å; F74-W78 HydrophobicContact CZ-CG 4.16Å; F74-W78 WeakPolarHBondContact O-CB 3.48Å; F74-W78 PolarHBondContact O-N 2.79Å; E75-W78 PolarHBondContact O-N 3.11Å; K76-W78 VanDerWaalsContact C-N 3.28Å; K76-W78 PolarHBondContact O-N 3.23Å; W78-E80 VanDerWaalsContact C-N 3.3Å; W78-E80 PolarHBondContact O-N 3.26Å; W78-S81 WeakPolarHBondContact O-CB 3.31Å; W78-S81 PolarHBondContact O-N 2.77Å; W78-V82 PolarHBondContact O-N 3.33Å; W78-T88 HydrophobicContact CB-CG2 4.36Å; W78-T88 HydrophobicContact CD2-CG2 3.41Å; W78-T88 VanDerWaalsContact CD2-CG2 3.41Å; W78-T88 HydrophobicContact CE3-CG2 3.91Å; W78-T88 HydrophobicContact CG-CG2 3.62Å; W78-T88 HydrophobicContact CZ2-CG2 4.16Å; W78-T88 HydrophobicContact CZ3-CG2 4.48Å; W78-S89 WeakPolarHBondContact CH2-O 3.15Å; W78-H92 HydrophobicContact CH2-CB 3.9Å; W78-H92 HydrophobicContact CZ2-CB 3.98Å; W78-L93 HydrophobicContact CE3-CD1 4.37Å; W78-L93 HydrophobicContact CE3-CD2 4.49Å; W78-L93 HydrophobicContact CH2-CD1 4.05Å; W78-L93 HydrophobicContact CH2-CD2 3.35Å; W78-L93 HydrophobicContact CH2-CG 3.5Å; W78-L93 VanDerWaalsContact CH2-CG 3.5Å; W78-L93 HydrophobicContact CZ2-CD2 3.61Å; W78-L93 HydrophobicContact CZ2-CG 4.27Å; W78-L93 HydrophobicContact CZ3-CD1 3.77Å; W78-L93 HydrophobicContact CZ3-CD2 3.87Å; W78-L93 HydrophobicContact CZ3-CG 3.75Å
79Q81.6Confident81.9Confident65 Ų6573.1 Ų73.130%0.30440%0.397SS..Hα-helixtrans-64.5-33.7177.2-174.555.58100112.4E75 K76 S81 V82 M86 T88E75-Q79 VanDerWaalsContact O-CB 3.26Å; E75-Q79 WeakPolarHBondContact O-CB 3.28Å; E75-Q79 PolarHBondContact O-N 3.19Å; K76-Q79 PolarHBondContact O-N 3.35Å; Q79-S81 VanDerWaalsContact C-N 3.26Å; Q79-S81 PolarHBondContact O-N 3.44Å; Q79-V82 VanDerWaalsContact NE2-CG2 3.28Å; Q79-V82 VanDerWaalsContact O-CG2 3.3Å; Q79-V82 WeakPolarHBondContact O-CG2 3.43Å; Q79-M86 PolarHBondContact NE2-O 2.89Å; Q79-T88 HydrophobicContact CB-CG2 4.32Å; Q79-T88 PolarHBondContact OE1-OG1 2.97Å; Q79-T88 VanDerWaalsContact OE1-OG1 3.08Å
80E79Confident82.3Confident137 Ų13773.3 Ų73.364%0.6440%0.398SS*.Hα-helixtrans-72.6-18.1172.9-71.7175.4-174.300113.2K76 I77 W78K76-E80 WeakPolarHBondContact CE-OE1 3.49Å; K76-E80 WeakPolarHBondContact O-CG 3.06Å; K76-E80 PolarHBondContact O-N 2.61Å; I77-E80 PolarHBondContact O-N 3.42Å; W78-E80 VanDerWaalsContact C-N 3.3Å; W78-E80 PolarHBondContact O-N 3.26Å
81S76.7Confident82.1Confident53 Ų5376.5 Ų76.537%0.37142%0.415SS..Hα-helixtrans-90.7-10.6-178.2-62.60000113.9I77 W78 Q79I77-S81 WeakPolarHBondContact O-CB 3.37Å; I77-S81 PolarHBondContact O-N 2.99Å; I77-S81 PolarHBondContact O-OG 3.08Å; W78-S81 WeakPolarHBondContact O-CB 3.31Å; W78-S81 PolarHBondContact O-N 2.77Å; Q79-S81 VanDerWaalsContact C-N 3.26Å; Q79-S81 PolarHBondContact O-N 3.44Å
82V75.5Confident81.8Confident14 Ų1478.8 Ų78.89%0.08543%0.425CS..SBendtrans-99.5154.3178.5-61.20000111.8F9 T13 W78 Q79 M86 T88F9-V82 HydrophobicContact CE1-CG1 4.1Å; F9-V82 HydrophobicContact CZ-CG1 4.28Å; T13-V82 HydrophobicContact CG2-CG1 4.21Å; W78-V82 PolarHBondContact O-N 3.33Å; Q79-V82 VanDerWaalsContact NE2-CG2 3.28Å; Q79-V82 VanDerWaalsContact O-CG2 3.3Å; Q79-V82 WeakPolarHBondContact O-CG2 3.43Å; V82-M86 HydrophobicContact CB-CB 4.19Å; V82-M86 HydrophobicContact CB-CG 4.2Å; V82-M86 HydrophobicContact CB-SD 3.97Å; V82-M86 HydrophobicContact CG1-SD 4.16Å; V82-M86 HydrophobicContact CG2-CB 4.07Å; V82-M86 HydrophobicContact CG2-CG 4.25Å; V82-T88 HydrophobicContact CG1-CG2 4.02Å; V82-T88 HydrophobicContact CG2-CG2 3.96Å
83P77.2Confident81.5Confident78 Ų7871.7 Ų71.751%0.50639%0.392SS..PPolyproline II helixtrans-61.4154.2179.2-23.333.5000114G85 M86P83-G85 PolarHBondContact O-N 3.07Å; P83-M86 VanDerWaalsContact O-CB 3.31Å; P83-M86 WeakPolarHBondContact O-CB 3.42Å; P83-M86 PolarHBondContact O-N 3.21Å
84D78.6Confident81.4Confident175 Ų17569.6 Ų69.694%0.93638%0.383SS*.THydrogen-bonded Turntrans-51.8131175.2-67.4-32.8000112.1M86D84-M86 VanDerWaalsContact C-N 3.34Å
85G80.6Confident81.4Confident86 Ų8670.3 Ų70.389%0.88739%0.386SS*.THydrogen-bonded Turntrans87.5-5.8-178.400000114.9P83P83-G85 PolarHBondContact O-N 3.07Å
86M79.7Confident81.2Confident55 Ų5566.3 Ų66.327%0.27137%0.368SS..  trans-87.6135.5168.1-171.9169.1177.900110.3F9 Q79 V82 P83 D84F9-M86 HydrophobicContact CD1-CE 4.09Å; F9-M86 HydrophobicContact CD1-SD 4.37Å; F9-M86 HydrophobicContact CE1-CE 3.8Å; F9-M86 HydrophobicContact CE1-SD 3.68Å; F9-M86 HydrophobicContact CZ-SD 4.37Å; Q79-M86 PolarHBondContact NE2-O 2.89Å; V82-M86 HydrophobicContact CB-CB 4.19Å; V82-M86 HydrophobicContact CB-CG 4.2Å; V82-M86 HydrophobicContact CB-SD 3.97Å; V82-M86 HydrophobicContact CG1-SD 4.16Å; V82-M86 HydrophobicContact CG2-CB 4.07Å; V82-M86 HydrophobicContact CG2-CG 4.25Å; P83-M86 VanDerWaalsContact O-CB 3.31Å; P83-M86 WeakPolarHBondContact O-CB 3.42Å; P83-M86 PolarHBondContact O-N 3.21Å; D84-M86 VanDerWaalsContact C-N 3.34Å
87L82.1Confident81.3Confident137 Ų13760.8 Ų60.872%0.71735%0.346SS*.  trans-106.9133.7174.1-64.5176.1000110
88T79.9Confident81.7Confident17 Ų1758 Ų5810%0.10433%0.332CS..  trans-78.7149.1171.951.50000110.7W78 Q79 V82W78-T88 HydrophobicContact CB-CG2 4.36Å; W78-T88 HydrophobicContact CD2-CG2 3.41Å; W78-T88 VanDerWaalsContact CD2-CG2 3.41Å; W78-T88 HydrophobicContact CE3-CG2 3.91Å; W78-T88 HydrophobicContact CG-CG2 3.62Å; W78-T88 HydrophobicContact CZ2-CG2 4.16Å; W78-T88 HydrophobicContact CZ3-CG2 4.48Å; Q79-T88 HydrophobicContact CB-CG2 4.32Å; Q79-T88 PolarHBondContact OE1-OG1 2.97Å; Q79-T88 VanDerWaalsContact OE1-OG1 3.08Å; V82-T88 HydrophobicContact CG1-CG2 4.02Å; V82-T88 HydrophobicContact CG2-CG2 3.96Å
89S85.3Confident82.1Confident41 Ų4158.8 Ų58.829%0.28734%0.338SS..  trans-151.2135.9176.1171.80000108.3W78 D91 H92W78-S89 WeakPolarHBondContact CH2-O 3.15Å; S89-D91 PolarHBondContact O-N 2.85Å; S89-D91 WeakPolarHBondContact OG-CB 3.05Å; S89-D91 PolarHBondContact OG-N 3.22Å; S89-D91 PolarHBondContact OG-OD2 3.48Å; S89-H92 WeakPolarHBondContact O-CB 3.42Å; S89-H92 PolarHBondContact O-N 2.91Å
90F85.6Confident82.5Confident67 Ų6756.3 Ų56.329%0.29433%0.326SS..G310 helixtrans-55.9-21.2175.1-66.9-71.2000113.2L71 F74 E75 H92 L93 V94 V99 I108L71-F90 HydrophobicContact CD1-CD1 4.48Å; L71-F90 HydrophobicContact CD1-CE1 3.47Å; L71-F90 VanDerWaalsContact CD1-CE1 3.47Å; L71-F90 HydrophobicContact CD1-CE2 4.46Å; L71-F90 HydrophobicContact CD1-CZ 3.45Å; L71-F90 VanDerWaalsContact CD1-CZ 3.45Å; L71-F90 HydrophobicContact CG-CE1 4.44Å; L71-F90 HydrophobicContact CG-CZ 3.94Å; F74-F90 HydrophobicContact CD1-CE1 4.37Å; E75-F90 HydrophobicContact CB-CZ 4.34Å; F90-H92 PolarHBondContact O-N 2.95Å; F90-H92 VanDerWaalsContact O-N 3.15Å; F90-L93 HydrophobicContact CD1-CD1 3.7Å; F90-L93 HydrophobicContact CE1-CD1 4.19Å; F90-L93 WeakPolarHBondContact O-CB 3.4Å; F90-L93 PolarHBondContact O-N 2.91Å; F90-V94 PolarHBondContact O-N 3.35Å; F90-V99 HydrophobicContact CD1-CG2 3.84Å; F90-V99 HydrophobicContact CE1-CG2 4.25Å; F90-V99 HydrophobicContact CG-CG2 4.44Å; F90-I108 HydrophobicContact CD1-CD1 4.26Å; F90-I108 HydrophobicContact CE1-CD1 4.14Å
91D83Confident83Confident119 Ų11954.3 Ų54.364%0.63632%0.32SS*.G310 helixtrans-57.2-26.9169.8-66-33.8000113S89 L93 V94S89-D91 PolarHBondContact O-N 2.85Å; S89-D91 WeakPolarHBondContact OG-CB 3.05Å; S89-D91 PolarHBondContact OG-N 3.22Å; S89-D91 PolarHBondContact OG-OD2 3.48Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-V94 WeakPolarHBondContact O-CB 3.44Å; D91-V94 WeakPolarHBondContact O-CG2 3.39Å
92H81Confident83.5Confident74 Ų7457.3 Ų57.334%0.34333%0.328SS..G310 helixtrans-78.6-13.6175.6-52.5150.3000113.1R10 W78 S89 F90R10-H92 WeakPolarHBondContact CD-O 3.03Å; R10-H92 VanDerWaalsContact CG-O 3.31Å; R10-H92 WeakPolarHBondContact CG-O 3.26Å; R10-H92 PolarHBondContact NE-O 2.74Å; W78-H92 HydrophobicContact CH2-CB 3.9Å; W78-H92 HydrophobicContact CZ2-CB 3.98Å; S89-H92 WeakPolarHBondContact O-CB 3.42Å; S89-H92 PolarHBondContact O-N 2.91Å; F90-H92 PolarHBondContact O-N 2.95Å; F90-H92 VanDerWaalsContact O-N 3.15Å
93L84.2Confident84.1Confident4 Ų461.9 Ų61.92%0.02135%0.349CS..SBendtrans-97.6-3.4178.2-50.2-175.6000113.1I14 W18 F74 W78 F90 D91 D95 I96 A97 I108I14-L93 HydrophobicContact CB-CD2 4.47Å; I14-L93 HydrophobicContact CD1-CD2 3.22Å; I14-L93 HydrophobicContact CG1-CD2 3.49Å; I14-L93 VanDerWaalsContact CG1-CD2 3.49Å; I14-L93 HydrophobicContact CG2-CD2 4.16Å; W18-L93 HydrophobicContact CH2-CD1 4.21Å; W18-L93 HydrophobicContact CH2-CD2 4.49Å; F74-L93 HydrophobicContact CE1-CD1 3.67Å; F74-L93 HydrophobicContact CZ-CD1 4.14Å; W78-L93 HydrophobicContact CE3-CD1 4.37Å; W78-L93 HydrophobicContact CE3-CD2 4.49Å; W78-L93 HydrophobicContact CH2-CD1 4.05Å; W78-L93 HydrophobicContact CH2-CD2 3.35Å; W78-L93 HydrophobicContact CH2-CG 3.5Å; W78-L93 VanDerWaalsContact CH2-CG 3.5Å; W78-L93 HydrophobicContact CZ2-CD2 3.61Å; W78-L93 HydrophobicContact CZ2-CG 4.27Å; W78-L93 HydrophobicContact CZ3-CD1 3.77Å; W78-L93 HydrophobicContact CZ3-CD2 3.87Å; W78-L93 HydrophobicContact CZ3-CG 3.75Å; F90-L93 HydrophobicContact CD1-CD1 3.7Å; F90-L93 HydrophobicContact CE1-CD1 4.19Å; F90-L93 WeakPolarHBondContact O-CB 3.4Å; F90-L93 PolarHBondContact O-N 2.91Å; D91-L93 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.45Å; L93-I96 PolarHBondContact O-N 3.01Å; L93-A97 HydrophobicContact CB-CB 4.23Å; L93-A97 PolarHBondContact O-N 3.33Å; L93-I108 HydrophobicContact CD1-CD1 3.25Å
94V83.1Confident84.7Confident47 Ų4764 Ų6429%0.28537%0.365SS..THydrogen-bonded Turntrans-47.3132.2173169.40000109.4R10 F90 D91 I96 P141R10-V94 PolarHBondContact NH2-O 2.73Å; F90-V94 PolarHBondContact O-N 3.35Å; D91-V94 WeakPolarHBondContact O-CB 3.44Å; D91-V94 WeakPolarHBondContact O-CG2 3.39Å; V94-I96 PolarHBondContact O-N 2.85Å; V94-P141 HydrophobicContact CG1-CB 3.62Å; V94-P141 HydrophobicContact CG1-CG 3.2Å
95D83.2Confident85.3Confident16 Ų1660 Ų609%0.08635%0.349CS..THydrogen-bonded Turntrans69.51-177.279.944.7000116.7R10 L93 P112 H113 P141R10-D95 IonicContact CZ-OD1 3.4Å; R10-D95 IonicContact CZ-OD2 2.68Å; R10-D95 IonicContact NH1-OD2 3.49Å; R10-D95 IonicContact NH2-OD1 2.87Å; R10-D95 PolarHBondContact NH2-OD1 3Å; R10-D95 IonicContact NH2-OD2 2.94Å; R10-D95 PolarHBondContact NH2-OD2 3.25Å; L93-D95 PolarHBondContact O-N 3.45Å; D95-P112 CarbonylContact O-C 3.46Å; D95-P112 WeakPolarHBondContact O-CA 3.31Å; D95-H113 HydrophobicContact CB-CB 4.03Å; D95-H113 PolarHBondContact O-N 2.95Å; D95-H113 PolarHBondContact O-ND1 3.45Å; D95-H113 IonicContact OD1-CE1 3.34Å; D95-H113 IonicContact OD1-ND1 2.78Å; D95-P141 HydrophobicContact CB-CB 3.8Å
96I83.2Confident85.8Confident7 Ų757.3 Ų57.34%0.03632%0.318CS..THydrogen-bonded Turntrans-116.4-34.3177.9-53.8173.2000112.1R10 I14 L93 V94 Y110 F111R10-I96 HydrophobicContact CG-CD1 4.15Å; R10-I96 VanDerWaalsContact NE-CD1 3.33Å; I14-I96 HydrophobicContact CD1-CD1 3.95Å; I14-I96 HydrophobicContact CG2-CD1 4.44Å; I14-I96 HydrophobicContact CG2-CG2 3.71Å; L93-I96 PolarHBondContact O-N 3.01Å; V94-I96 PolarHBondContact O-N 2.85Å; I96-Y110 HydrophobicContact CG2-CD2 3.98Å; I96-Y110 HydrophobicContact CG2-CE2 3.57Å; I96-F111 CarbonylContact C-O 3.56Å; I96-F111 CarbonylContact O-C 3.56Å; I96-F111 WeakPolarHBondContact O-CA 3.41Å; I96-F111 PolarHBondContact O-N 2.97Å
97A85.9Confident86.2Confident12 Ų1256.7 Ų56.710%0.09931%0.314CS..EExtended strand (participates in β ladder)trans-142.7153.9-176.600000111.9W18 L93 I108 E109 Y142W18-A97 HydrophobicContact CH2-CB 4.22Å; W18-A97 HydrophobicContact CZ2-CB 4.28Å; L93-A97 HydrophobicContact CB-CB 4.23Å; L93-A97 PolarHBondContact O-N 3.33Å; A97-I108 HydrophobicContact CB-CD1 3.8Å; A97-I108 HydrophobicContact CB-CG1 3.88Å; A97-E109 CarbonylContact C-O 3.46Å; A97-E109 WeakPolarHBondContact CA-O 3.32Å; A97-E109 VanDerWaalsContact CB-O 3.28Å; A97-E109 WeakPolarHBondContact CB-O 3.39Å; A97-Y142 PolarHBondContact O-OH 2.81Å
98V89Confident86.4Confident4 Ų450.1 Ų50.12%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-112.8130.4175.4174.60000108.6I108 E109 F111 K131 W134 Y142V98-I108 WeakPolarHBondContact O-CA 3.34Å; V98-E109 PolarHBondContact N-O 3.23Å; V98-E109 PolarHBondContact O-N 3.19Å; V98-F111 HydrophobicContact CB-CB 4.31Å; V98-F111 HydrophobicContact CG2-CB 3.8Å; V98-F111 HydrophobicContact CG2-CD1 3.67Å; V98-F111 HydrophobicContact CG2-CG 3.92Å; V98-K131 HydrophobicContact CG1-CB 4.19Å; V98-K131 HydrophobicContact CG1-CD 3.84Å; V98-W134 HydrophobicContact CG1-CH2 4.25Å; V98-W134 HydrophobicContact CG2-CH2 3.47Å; V98-W134 VanDerWaalsContact CG2-CH2 3.47Å; V98-W134 HydrophobicContact CG2-CZ2 4.29Å; V98-W134 HydrophobicContact CG2-CZ3 4.16Å; V98-Y142 HydrophobicContact CG2-CE2 4.36Å
99V90.2Very high86.7Confident26 Ų2651.1 Ų51.116%0.15828%0.283CS..EExtended strand (participates in β ladder)trans-93.8130.6175.8178.30000108.8L71 F90 D101 I108 K131L71-V99 HydrophobicContact CD1-CG1 3.79Å; L71-V99 HydrophobicContact CD1-CG2 4.24Å; L71-V99 HydrophobicContact CD2-CG1 3.79Å; L71-V99 HydrophobicContact CG-CG1 4.47Å; F90-V99 HydrophobicContact CD1-CG2 3.84Å; F90-V99 HydrophobicContact CE1-CG2 4.25Å; F90-V99 HydrophobicContact CG-CG2 4.44Å; V99-D101 HydrophobicContact CG1-CB 4.09Å; V99-I108 HydrophobicContact CG2-CD1 3.96Å; V99-I108 HydrophobicContact CG2-CG1 4.12Å; V99-K131 WeakPolarHBondContact O-CE 3.21Å; V99-K131 PolarHBondContact O-NZ 2.81Å
100H89.4Confident86.6Confident13 Ų1351.3 Ų51.36%0.0628%0.278CS..EExtended strand (participates in β ladder)trans-108.275.1177-62.7-85.9000108.8E103 A106 F107 E109 C130H100-E103 HydrophobicContact CB-CB 4.38Å; H100-E103 HydrophobicContact CB-CG 4.03Å; H100-A106 WeakPolarHBondContact O-CA 3.31Å; H100-F107 HydrophobicContact CB-CD1 3.82Å; H100-F107 HydrophobicContact CB-CD2 4.09Å; H100-F107 HydrophobicContact CB-CE1 3.56Å; H100-F107 HydrophobicContact CB-CE2 3.85Å; H100-F107 HydrophobicContact CB-CG 4.08Å; H100-F107 HydrophobicContact CB-CZ 3.56Å; H100-F107 AromaticContact CD2-CD2 3.57Å; H100-F107 AromaticContact CD2-CE2 3.01Å; H100-F107 WeakPolarHBondContact CD2-CE2 3.45Å; H100-F107 AromaticContact CD2-CZ 3.45Å; H100-F107 VanDerWaalsContact CD2-CZ 3.45Å; H100-F107 WeakPolarHBondContact CD2-CZ 3.39Å; H100-F107 AromaticContact CG-CE1 3.97Å; H100-F107 AromaticContact CG-CE2 3.5Å; H100-F107 AromaticContact CG-CZ 3.42Å; H100-F107 VanDerWaalsContact CG-CZ 3.42Å; H100-F107 PolarHBondContact N-O 2.7Å; H100-F107 AromaticContact ND1-CZ 3.99Å; H100-F107 AromaticContact NE2-CE2 3.58Å; H100-F107 AromaticContact NE2-CZ 3.96Å; H100-F107 PolarHBondContact O-N 3.34Å; H100-E109 IonicContact CE1-OE2 3.71Å; H100-E109 IonicContact NE2-OE2 2.95Å; H100-E109 PolarHBondContact NE2-OE2 3.3Å; H100-C130 PolarHBondContact CE1-O 3.11Å
101D89.9Confident86.5Confident96 Ų9649.4 Ų49.451%0.51327%0.269SS..  trans-83.4-21-17558.2-31.3000114.2V99 E103 K131V99-D101 HydrophobicContact CG1-CB 4.09Å; D101-E103 VanDerWaalsContact C-N 3.27Å; D101-K131 IonicContact OD1-NZ 3.3Å; D101-K131 PolarHBondContact OD1-NZ 3.48Å
102E87.6Confident86.4Confident115 Ų11544 Ų4454%0.53724%0.241SC..SBendtrans-75.9-18173.5-58.7-17216000112.7Q133E102-Q133 PolarHBondContact OE1-NE2 2.98Å; E102-Q133 PolarHBondContact OE2-NE2 3.08Å
103E87.9Confident86.3Confident111 Ų11143 Ų4352%0.51924%0.236SC..SBendtrans-81.2153.6179.9-63.4-63.7152.900111.4H100 D101 P105 A106 F107H100-E103 HydrophobicContact CB-CB 4.38Å; H100-E103 HydrophobicContact CB-CG 4.03Å; D101-E103 VanDerWaalsContact C-N 3.27Å; E103-P105 CarbonylContact C-O 3.58Å; E103-P105 CarbonylContact O-C 3.24Å; E103-P105 VanDerWaalsContact O-C 3.24Å; E103-A106 WeakPolarHBondContact O-CA 3.43Å; E103-A106 PolarHBondContact O-N 2.81Å; E103-A106 VanDerWaalsContact O-N 3.08Å; E103-F107 HydrophobicContact CB-CD1 4.11Å; E103-F107 HydrophobicContact CB-CE1 3.82Å; E103-F107 HydrophobicContact CG-CE1 3.8Å
104S90.1Very high86Confident122 Ų12246 Ų4685%0.85325%0.249SC*.SBendtrans-128.7103.2178.8175.40000110.6
105P90.4Very high85.8Confident92 Ų9248.7 Ų48.760%0.59726%0.262SS*.SBendcis-77.8152.38.932.6-35.8000113.2E103E103-P105 CarbonylContact C-O 3.58Å; E103-P105 CarbonylContact O-C 3.24Å; E103-P105 VanDerWaalsContact O-C 3.24Å
106A92Very high85.8Confident28 Ų2848.3 Ų48.323%0.23126%0.26CS..  trans-65139.4171.800000110.3L71 H100 E103L71-A106 HydrophobicContact CB-CB 4.05Å; L71-A106 HydrophobicContact CD2-CB 4.01Å; L71-A106 PolarHBondContact N-O 3.35Å; H100-A106 WeakPolarHBondContact O-CA 3.31Å; E103-A106 WeakPolarHBondContact O-CA 3.43Å; E103-A106 PolarHBondContact O-N 2.81Å; E103-A106 VanDerWaalsContact O-N 3.08Å
107F87.8Confident85.9Confident42 Ų4250 Ų5018%0.18427%0.271CS..EExtended strand (participates in β ladder)trans-140.9167.2-18068.3-88.2000111.9D68 F69 H100 E103 E109D68-F107 HydrophobicContact CB-CB 4.38Å; D68-F107 HydrophobicContact CB-CD2 3.51Å; D68-F107 HydrophobicContact CB-CE2 3.97Å; D68-F107 HydrophobicContact CB-CG 4.09Å; D68-F107 VanDerWaalsContact CG-CD2 3.46Å; D68-F107 VanDerWaalsContact OD1-CD2 3.3Å; D68-F107 WeakPolarHBondContact OD1-CD2 3.34Å; D68-F107 WeakPolarHBondContact OD1-CE2 3.39Å; F69-F107 CarbonylContact O-C 3.56Å; F69-F107 WeakPolarHBondContact O-CA 3.15Å; F69-F107 VanDerWaalsContact O-CB 3.27Å; F69-F107 WeakPolarHBondContact O-CB 3.32Å; H100-F107 HydrophobicContact CB-CD1 3.82Å; H100-F107 HydrophobicContact CB-CD2 4.09Å; H100-F107 HydrophobicContact CB-CE1 3.56Å; H100-F107 HydrophobicContact CB-CE2 3.85Å; H100-F107 HydrophobicContact CB-CG 4.08Å; H100-F107 HydrophobicContact CB-CZ 3.56Å; H100-F107 AromaticContact CD2-CD2 3.57Å; H100-F107 AromaticContact CD2-CE2 3.01Å; H100-F107 WeakPolarHBondContact CD2-CE2 3.45Å; H100-F107 AromaticContact CD2-CZ 3.45Å; H100-F107 VanDerWaalsContact CD2-CZ 3.45Å; H100-F107 WeakPolarHBondContact CD2-CZ 3.39Å; H100-F107 AromaticContact CG-CE1 3.97Å; H100-F107 AromaticContact CG-CE2 3.5Å; H100-F107 AromaticContact CG-CZ 3.42Å; H100-F107 VanDerWaalsContact CG-CZ 3.42Å; H100-F107 PolarHBondContact N-O 2.7Å; H100-F107 AromaticContact ND1-CZ 3.99Å; H100-F107 AromaticContact NE2-CE2 3.58Å; H100-F107 AromaticContact NE2-CZ 3.96Å; H100-F107 PolarHBondContact O-N 3.34Å; E103-F107 HydrophobicContact CB-CD1 4.11Å; E103-F107 HydrophobicContact CB-CE1 3.82Å; E103-F107 HydrophobicContact CG-CE1 3.8Å; F107-E109 HydrophobicContact CE2-CB 4.44Å
108I86.5Confident85.7Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-124.3133.5174.5-174.2170.7000109.9W18 F69 L71 F74 F90 L93 A97 V98 V99W18-I108 HydrophobicContact CH2-CD1 4.02Å; W18-I108 HydrophobicContact CZ2-CD1 3.87Å; W18-I108 HydrophobicContact CZ2-CG1 3.95Å; W18-I108 HydrophobicContact CZ2-CG2 3.97Å; F69-I108 HydrophobicContact CB-CG2 3.89Å; F69-I108 PolarHBondContact N-O 3.22Å; F69-I108 PolarHBondContact O-N 3.38Å; L71-I108 HydrophobicContact CD1-CB 3.9Å; L71-I108 HydrophobicContact CD1-CG2 4.28Å; F74-I108 HydrophobicContact CB-CG2 3.77Å; F74-I108 HydrophobicContact CD1-CD1 4.27Å; F74-I108 HydrophobicContact CD1-CG2 3.93Å; F74-I108 HydrophobicContact CD2-CG2 4.08Å; F74-I108 HydrophobicContact CE1-CD1 4.21Å; F74-I108 HydrophobicContact CG-CG2 3.61Å; F90-I108 HydrophobicContact CD1-CD1 4.26Å; F90-I108 HydrophobicContact CE1-CD1 4.14Å; L93-I108 HydrophobicContact CD1-CD1 3.25Å; A97-I108 HydrophobicContact CB-CD1 3.8Å; A97-I108 HydrophobicContact CB-CG1 3.88Å; V98-I108 WeakPolarHBondContact O-CA 3.34Å; V99-I108 HydrophobicContact CG2-CD1 3.96Å; V99-I108 HydrophobicContact CG2-CG1 4.12Å
109E84.5Confident85.6Confident37 Ų3757.9 Ų57.917%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-112.1133.5-178.1-178.4-175.7-177.600109.9V66 A97 V98 H100 F107 F111 C130V66-E109 HydrophobicContact CG1-CG 3.86Å; V66-E109 WeakPolarHBondContact CG1-OE1 2.84Å; A97-E109 CarbonylContact C-O 3.46Å; A97-E109 WeakPolarHBondContact CA-O 3.32Å; A97-E109 VanDerWaalsContact CB-O 3.28Å; A97-E109 WeakPolarHBondContact CB-O 3.39Å; V98-E109 PolarHBondContact N-O 3.23Å; V98-E109 PolarHBondContact O-N 3.19Å; H100-E109 IonicContact CE1-OE2 3.71Å; H100-E109 IonicContact NE2-OE2 2.95Å; H100-E109 PolarHBondContact NE2-OE2 3.3Å; F107-E109 HydrophobicContact CE2-CB 4.44Å; E109-F111 PolarHBondContact O-N 2.88Å; E109-C130 PolarHBondContact OE2-SG 3.2Å
110Y83.1Confident85.4Confident46 Ų4659 Ų5918%0.1832%0.319CS..EExtended strand (participates in β ladder)trans-68.4115.8169.7-179-103.7000110W18 I96 P112 F114W18-Y110 HydrophobicContact CB-CD2 4.43Å; W18-Y110 HydrophobicContact CB-CG 4.48Å; W18-Y110 HydrophobicContact CD2-CD2 4.28Å; W18-Y110 HydrophobicContact CE3-CD2 4.38Å; W18-Y110 HydrophobicContact CG-CD2 4.33Å; W18-Y110 HydrophobicContact CG-CG 4.39Å; I96-Y110 HydrophobicContact CG2-CD2 3.98Å; I96-Y110 HydrophobicContact CG2-CE2 3.57Å; Y110-P112 HydrophobicContact CD1-CG 4.29Å; Y110-P112 HydrophobicContact CE1-CB 4.41Å; Y110-P112 VanDerWaalsContact CE1-CD 3.47Å; Y110-P112 HydrophobicContact CE1-CG 3.54Å; Y110-P112 HydrophobicContact CE2-CG 4.46Å; Y110-F114 WeakPolarHBondContact OH-CZ 3.23Å
111F83.8Confident85.4Confident26 Ų2661.3 Ų61.311%0.11434%0.341CS..  trans-148.276.1-172.2-166.8-94.6000110I96 V98 E109 L116 T126 L127 C130 Y142I96-F111 CarbonylContact C-O 3.56Å; I96-F111 CarbonylContact O-C 3.56Å; I96-F111 WeakPolarHBondContact O-CA 3.41Å; I96-F111 PolarHBondContact O-N 2.97Å; V98-F111 HydrophobicContact CB-CB 4.31Å; V98-F111 HydrophobicContact CG2-CB 3.8Å; V98-F111 HydrophobicContact CG2-CD1 3.67Å; V98-F111 HydrophobicContact CG2-CG 3.92Å; E109-F111 PolarHBondContact O-N 2.88Å; F111-L116 HydrophobicContact CE1-CD1 4.36Å; F111-L116 HydrophobicContact CE1-CD2 3.72Å; F111-L116 HydrophobicContact CE1-CG 4.41Å; F111-L116 HydrophobicContact CZ-CD2 3.58Å; F111-T126 HydrophobicContact CE2-CG2 4.32Å; F111-T126 HydrophobicContact CZ-CG2 4.02Å; F111-L127 HydrophobicContact CE1-CD2 3.71Å; F111-L127 HydrophobicContact CZ-CD2 4.37Å; F111-C130 HydrophobicContact CD2-CB 4.2Å; F111-C130 HydrophobicContact CE1-CB 4.49Å; F111-C130 HydrophobicContact CE2-CB 3.61Å; F111-C130 HydrophobicContact CZ-CB 3.76Å; F111-Y142 AromaticContact CD1-CE1 3.76Å; F111-Y142 HydrophobicContact CD1-CE1 3.76Å; F111-Y142 AromaticContact CD1-CZ 3.91Å; F111-Y142 HydrophobicContact CE1-CD1 4.49Å; F111-Y142 HydrophobicContact CE1-CE1 4.14Å; F111-Y142 VanDerWaalsContact O-CE1 3.31Å; F111-Y142 WeakPolarHBondContact O-CE1 3.46Å; F111-Y142 PolarHBondContact O-OH 3.23Å
112P82Confident85.4Confident7 Ų760.9 Ų60.95%0.04534%0.339CS..  trans-77.5138-173.831.9-36.8000111.9D95 Y110 F114 D115D95-P112 CarbonylContact O-C 3.46Å; D95-P112 WeakPolarHBondContact O-CA 3.31Å; Y110-P112 HydrophobicContact CD1-CG 4.29Å; Y110-P112 HydrophobicContact CE1-CB 4.41Å; Y110-P112 VanDerWaalsContact CE1-CD 3.47Å; Y110-P112 HydrophobicContact CE1-CG 3.54Å; Y110-P112 HydrophobicContact CE2-CG 4.46Å; P112-F114 HydrophobicContact CB-CD1 3.86Å; P112-F114 HydrophobicContact CB-CD2 4.17Å; P112-F114 HydrophobicContact CB-CE1 3.44Å; P112-F114 VanDerWaalsContact CB-CE1 3.44Å; P112-F114 HydrophobicContact CB-CE2 3.76Å; P112-F114 HydrophobicContact CB-CG 4.22Å; P112-F114 HydrophobicContact CB-CZ 3.38Å; P112-F114 HydrophobicContact CG-CD2 4.28Å; P112-F114 HydrophobicContact CG-CE1 4.31Å; P112-F114 HydrophobicContact CG-CE2 3.72Å; P112-F114 HydrophobicContact CG-CZ 3.75Å; P112-F114 PolarHBondContact O-N 2.99Å; P112-F114 VanDerWaalsContact O-N 3.11Å; P112-D115 HydrophobicContact CG-CB 4.01Å; P112-D115 WeakPolarHBondContact CG-OD2 3.29Å; P112-D115 PolarHBondContact O-N 3.34Å; P112-D115 VanDerWaalsContact O-N 3.13Å
113H79.1Confident85.4Confident52 Ų5255.8 Ų55.824%0.24132%0.315CS..G310 helixtrans-59.2-26.5179.672.7-51.1000113.7D95 D115 L116 Y142 H146D95-H113 HydrophobicContact CB-CB 4.03Å; D95-H113 PolarHBondContact O-N 2.95Å; D95-H113 PolarHBondContact O-ND1 3.45Å; D95-H113 IonicContact OD1-CE1 3.34Å; D95-H113 IonicContact OD1-ND1 2.78Å; H113-D115 VanDerWaalsContact C-N 3.34Å; H113-L116 WeakPolarHBondContact O-CB 3.13Å; H113-L116 PolarHBondContact O-N 2.93Å; H113-Y142 HydrophobicContact CB-CD1 3.62Å; H113-Y142 HydrophobicContact CB-CE1 3.88Å; H113-H146 PolarHBondContact O-CE1 3.4Å
114F78.1Confident85.5Confident67 Ų6753.6 Ų53.629%0.29431%0.306SS..G310 helixtrans-76.3-16.5-18058.3-108.2000114.7Y110 P112 L116Y110-F114 WeakPolarHBondContact OH-CZ 3.23Å; P112-F114 HydrophobicContact CB-CD1 3.86Å; P112-F114 HydrophobicContact CB-CD2 4.17Å; P112-F114 HydrophobicContact CB-CE1 3.44Å; P112-F114 VanDerWaalsContact CB-CE1 3.44Å; P112-F114 HydrophobicContact CB-CE2 3.76Å; P112-F114 HydrophobicContact CB-CG 4.22Å; P112-F114 HydrophobicContact CB-CZ 3.38Å; P112-F114 HydrophobicContact CG-CD2 4.28Å; P112-F114 HydrophobicContact CG-CE1 4.31Å; P112-F114 HydrophobicContact CG-CE2 3.72Å; P112-F114 HydrophobicContact CG-CZ 3.75Å; P112-F114 PolarHBondContact O-N 2.99Å; P112-F114 VanDerWaalsContact O-N 3.11Å; F114-L116 VanDerWaalsContact C-N 3.28Å
115D78.3Confident85.6Confident104 Ų10454.7 Ų54.756%0.55630%0.296SS*.G310 helixtrans-86.9-3.3172.8-71.3-18.5000111.8P112 H113P112-D115 HydrophobicContact CG-CB 4.01Å; P112-D115 WeakPolarHBondContact CG-OD2 3.29Å; P112-D115 PolarHBondContact O-N 3.34Å; P112-D115 VanDerWaalsContact O-N 3.13Å; H113-D115 VanDerWaalsContact C-N 3.34Å
116L83.9Confident85.6Confident8 Ų852.8 Ų52.84%0.04228%0.282CS..SBendtrans-76.6150.4179-67.7-178.8000112.9F111 H113 F114 R123 T126 L127 Y142F111-L116 HydrophobicContact CE1-CD1 4.36Å; F111-L116 HydrophobicContact CE1-CD2 3.72Å; F111-L116 HydrophobicContact CE1-CG 4.41Å; F111-L116 HydrophobicContact CZ-CD2 3.58Å; H113-L116 WeakPolarHBondContact O-CB 3.13Å; H113-L116 PolarHBondContact O-N 2.93Å; F114-L116 VanDerWaalsContact C-N 3.28Å; L116-R123 HydrophobicContact CB-CG 4.1Å; L116-R123 HydrophobicContact CD1-CG 3.91Å; L116-T126 HydrophobicContact CD2-CG2 3.75Å; L116-L127 HydrophobicContact CD1-CD2 4.04Å; L116-L127 HydrophobicContact CD1-CG 4.25Å; L116-Y142 HydrophobicContact CD1-CD1 3.46Å; L116-Y142 VanDerWaalsContact CD1-CD1 3.46Å; L116-Y142 HydrophobicContact CD1-CE1 4.3Å; L116-Y142 HydrophobicContact CD1-CG 4.13Å
117P85.1Confident85.5Confident42 Ų4251.4 Ų51.427%0.27327%0.271SS..  trans-55.8149.1171.6-2533.5000113.5D122 R123P117-D122 HydrophobicContact CB-CB 3.68Å; P117-D122 HydrophobicContact CG-CB 4Å; P117-R123 PolarHBondContact O-NE 3.48Å; P117-R123 PolarHBondContact O-NH2 3.35Å
118D82Confident85.6Confident62 Ų6254.7 Ų54.733%0.33229%0.285SS..SBendtrans-71.6-39.2172.9-75.1-33.6000112.8A120 R123 H146 R149D118-A120 PolarHBondContact O-N 3.45Å; D118-R123 VanDerWaalsContact CA-NH2 3.34Å; D118-R123 PolarHBondContact O-NH2 3.44Å; D118-H146 IonicContact OD1-CD2 3.85Å; D118-H146 PolarHBondContact OD1-CD2 3.18Å; D118-R149 WeakPolarHBondContact OD1-CD 3.31Å; D118-R149 IonicContact OD1-CZ 2.64Å; D118-R149 IonicContact OD1-NE 3.38Å; D118-R149 PolarHBondContact OD1-NE 3.47Å; D118-R149 IonicContact OD1-NH1 3.95Å; D118-R149 PolarHBondContact OD1-NH1 2.96Å; D118-R149 WeakPolarHBondContact OD2-CD 3.14Å; D118-R149 IonicContact OD2-CZ 3.88Å; D118-R149 IonicContact OD2-NE 3.5Å; D118-R149 PolarHBondContact OD2-NE 2.9Å; D118-R149 IonicContact OD2-NH1 2.97Å; D118-R149 PolarHBondContact OD2-NH1 2.93Å; D118-R149 IonicContact OD2-NH2 3.92Å; D118-R149 PolarHBondContact OD2-NH2 3.47Å
119E85.1Confident85.9Confident119 Ų11960 Ų6056%0.55632%0.318SS*.SBendtrans-68.5126.6-176.8-174.753-143.300109A121 D122 R123E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 2.99Å; E119-D122 HydrophobicContact CB-CB 4.26Å; E119-D122 PolarHBondContact O-N 3.37Å; E119-R123 WeakPolarHBondContact O-CB 3.23Å; E119-R123 PolarHBondContact O-N 3.1Å
120A86.5Confident86Confident49 Ų4959.4 Ų59.441%0.40532%0.318SS..Hα-helixtrans-60.7-38-171.100000112D118 L124D118-A120 PolarHBondContact O-N 3.45Å; A120-L124 WeakPolarHBondContact O-CB 3.45Å; A120-L124 VanDerWaalsContact O-CG 3.26Å; A120-L124 WeakPolarHBondContact O-CG 3.43Å; A120-L124 PolarHBondContact O-N 3.12Å
121A89.8Confident86.2Confident63 Ų6357.9 Ų57.952%0.52131%0.312SS..Hα-helixtrans-65.4-46.3177.700000112E119 L124 K125E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 2.99Å; A121-L124 PolarHBondContact O-N 2.72Å; A121-K125 WeakPolarHBondContact O-CB 3.43Å; A121-K125 PolarHBondContact O-N 2.92Å
122D90.4Very high86.3Confident86 Ų8665.2 Ų65.246%0.4635%0.347SS..Hα-helixtrans-67.6-38.7178.6-67.6-34.1000111.2P117 E119 K125 T126P117-D122 HydrophobicContact CB-CB 3.68Å; P117-D122 HydrophobicContact CG-CB 4Å; E119-D122 HydrophobicContact CB-CB 4.26Å; E119-D122 PolarHBondContact O-N 3.37Å; D122-K125 WeakPolarHBondContact O-CB 3.27Å; D122-K125 PolarHBondContact O-N 3.18Å; D122-T126 PolarHBondContact O-N 3.18Å; D122-T126 PolarHBondContact O-OG1 3.35Å; D122-T126 VanDerWaalsContact O-OG1 3.07Å
123R87.7Confident86.6Confident8 Ų870.2 Ų70.23%0.0337%0.369CS..Hα-helixtrans-58-51.7173.9-174.7178.4-49.7116.63.7112L116 P117 D118 E119 K125 T126 L127 Y142L116-R123 HydrophobicContact CB-CG 4.1Å; L116-R123 HydrophobicContact CD1-CG 3.91Å; P117-R123 PolarHBondContact O-NE 3.48Å; P117-R123 PolarHBondContact O-NH2 3.35Å; D118-R123 VanDerWaalsContact CA-NH2 3.34Å; D118-R123 PolarHBondContact O-NH2 3.44Å; E119-R123 WeakPolarHBondContact O-CB 3.23Å; E119-R123 PolarHBondContact O-N 3.1Å; R123-K125 VanDerWaalsContact C-N 3.27Å; R123-K125 PolarHBondContact O-N 3.37Å; R123-T126 PolarHBondContact O-N 3.28Å; R123-L127 HydrophobicContact CG-CD1 4.02Å; R123-L127 WeakPolarHBondContact O-CG 3.34Å; R123-L127 PolarHBondContact O-N 3.02Å; R123-Y142 WeakPolarHBondContact CD-O 3.31Å
124L89.9Confident87.1Confident65 Ų6569.7 Ų69.734%0.3437%0.365SS..Hα-helixtrans-61-40178.4-73.5172.9000110.9A120 A121 T126 L127 F128 L143A120-L124 WeakPolarHBondContact O-CB 3.45Å; A120-L124 VanDerWaalsContact O-CG 3.26Å; A120-L124 WeakPolarHBondContact O-CG 3.43Å; A120-L124 PolarHBondContact O-N 3.12Å; A121-L124 PolarHBondContact O-N 2.72Å; L124-T126 PolarHBondContact O-N 3.19Å; L124-L127 HydrophobicContact CD2-CD1 4.43Å; L124-L127 PolarHBondContact O-N 3.41Å; L124-F128 HydrophobicContact CB-CD2 4.34Å; L124-F128 HydrophobicContact CB-CE2 4.18Å; L124-F128 HydrophobicContact CD2-CE2 4.14Å; L124-F128 WeakPolarHBondContact O-CD2 3.39Å; L124-F128 WeakPolarHBondContact O-CG 3.46Å; L124-F128 PolarHBondContact O-N 3.4Å; L124-L143 HydrophobicContact CD2-CD2 3.62Å
125K91Very high87.6Confident146 Ų14669.1 Ų69.164%0.63537%0.369SS*.Hα-helixtrans-60.4-44.8175.3-172.3-178.1178.2-173.80111.7A121 D122 R123 T129A121-K125 WeakPolarHBondContact O-CB 3.43Å; A121-K125 PolarHBondContact O-N 2.92Å; D122-K125 WeakPolarHBondContact O-CB 3.27Å; D122-K125 PolarHBondContact O-N 3.18Å; R123-K125 VanDerWaalsContact C-N 3.27Å; R123-K125 PolarHBondContact O-N 3.37Å; K125-T129 WeakPolarHBondContact O-CB 3.24Å; K125-T129 PolarHBondContact O-N 2.87Å; K125-T129 PolarHBondContact O-OG1 3.49Å
126T90.5Very high88Confident51 Ų5171.1 Ų71.131%0.31337%0.374SS..Hα-helixtrans-63.1-44.6176.1-54.90000111.4F111 L116 D122 R123 L124 F128 T129 C130F111-T126 HydrophobicContact CE2-CG2 4.32Å; F111-T126 HydrophobicContact CZ-CG2 4.02Å; L116-T126 HydrophobicContact CD2-CG2 3.75Å; D122-T126 PolarHBondContact O-N 3.18Å; D122-T126 PolarHBondContact O-OG1 3.35Å; D122-T126 VanDerWaalsContact O-OG1 3.07Å; R123-T126 PolarHBondContact O-N 3.28Å; L124-T126 PolarHBondContact O-N 3.19Å; T126-F128 PolarHBondContact O-N 3.2Å; T126-T129 PolarHBondContact O-N 2.68Å; T126-T129 VanDerWaalsContact O-N 3.17Å; T126-C130 PolarHBondContact O-N 3.42Å
127L90.3Very high88.1Confident0 Ų075.7 Ų75.70%040%0.402CS..Hα-helixtrans-59.4-47.8177.8-72.9164.2000112.5F111 L116 R123 L124 T129 C130 K131 W134 L139 Y142F111-L127 HydrophobicContact CE1-CD2 3.71Å; F111-L127 HydrophobicContact CZ-CD2 4.37Å; L116-L127 HydrophobicContact CD1-CD2 4.04Å; L116-L127 HydrophobicContact CD1-CG 4.25Å; R123-L127 HydrophobicContact CG-CD1 4.02Å; R123-L127 WeakPolarHBondContact O-CG 3.34Å; R123-L127 PolarHBondContact O-N 3.02Å; L124-L127 HydrophobicContact CD2-CD1 4.43Å; L124-L127 PolarHBondContact O-N 3.41Å; L127-T129 VanDerWaalsContact C-N 3.25Å; L127-T129 PolarHBondContact O-N 2.94Å; L127-C130 PolarHBondContact O-N 3.35Å; L127-K131 PolarHBondContact O-N 3.36Å; L127-K131 VanDerWaalsContact O-N 3.11Å; L127-W134 HydrophobicContact CB-CZ2 4.25Å; L127-W134 HydrophobicContact CD2-CH2 3.69Å; L127-W134 HydrophobicContact CD2-CZ2 3.8Å; L127-W134 HydrophobicContact CD2-CZ3 4.41Å; L127-W134 WeakPolarHBondContact O-CZ2 3.3Å; L127-W134 PolarHBondContact O-NE1 3.12Å; L127-L139 HydrophobicContact CD1-CD1 4.02Å; L127-Y142 HydrophobicContact CD2-CD1 4.1Å; L127-Y142 HydrophobicContact CD2-CD2 4.02Å; L127-Y142 HydrophobicContact CD2-CG 3.67Å
128F91.2Very high88.2Confident110 Ų11076.5 Ų76.548%0.48240%0.402SS..Hα-helixtrans-75.5-11.6178.5-65.4-52.9000113.9L124 T126L124-F128 HydrophobicContact CB-CD2 4.34Å; L124-F128 HydrophobicContact CB-CE2 4.18Å; L124-F128 HydrophobicContact CD2-CE2 4.14Å; L124-F128 WeakPolarHBondContact O-CD2 3.39Å; L124-F128 WeakPolarHBondContact O-CG 3.46Å; L124-F128 PolarHBondContact O-N 3.4Å; T126-F128 PolarHBondContact O-N 3.2Å
129T90.8Very high88.5Confident112 Ų11274.8 Ų74.869%0.68739%0.393SS*.Hα-helixtrans-83.2-32.8168.6-560000111K125 T126 L127K125-T129 WeakPolarHBondContact O-CB 3.24Å; K125-T129 PolarHBondContact O-N 2.87Å; K125-T129 PolarHBondContact O-OG1 3.49Å; T126-T129 PolarHBondContact O-N 2.68Å; T126-T129 VanDerWaalsContact O-N 3.17Å; L127-T129 VanDerWaalsContact C-N 3.25Å; L127-T129 PolarHBondContact O-N 2.94Å
130C88.1Confident88.6Confident25 Ų2575 Ų7517%0.16939%0.392CS..Hα-helixtrans-71.5-52.5177.6169.90000111.8H100 E109 F111 T126 L127H100-C130 PolarHBondContact CE1-O 3.11Å; E109-C130 PolarHBondContact OE2-SG 3.2Å; F111-C130 HydrophobicContact CD2-CB 4.2Å; F111-C130 HydrophobicContact CE1-CB 4.49Å; F111-C130 HydrophobicContact CE2-CB 3.61Å; F111-C130 HydrophobicContact CZ-CB 3.76Å; T126-C130 PolarHBondContact O-N 3.42Å; L127-C130 PolarHBondContact O-N 3.35Å
131K87.6Confident88.5Confident14 Ų1473.2 Ų73.26%0.06138%0.376CS..  trans-135.9134.7179.8-172.8179.2-177172.80109.9V98 V99 D101 L127 Q133 W134 E138V98-K131 HydrophobicContact CG1-CB 4.19Å; V98-K131 HydrophobicContact CG1-CD 3.84Å; V99-K131 WeakPolarHBondContact O-CE 3.21Å; V99-K131 PolarHBondContact O-NZ 2.81Å; D101-K131 IonicContact OD1-NZ 3.3Å; D101-K131 PolarHBondContact OD1-NZ 3.48Å; L127-K131 PolarHBondContact O-N 3.36Å; L127-K131 VanDerWaalsContact O-N 3.11Å; K131-Q133 WeakPolarHBondContact CD-O 3.45Å; K131-Q133 WeakPolarHBondContact CE-O 2.93Å; K131-Q133 VanDerWaalsContact CG-O 3.31Å; K131-Q133 WeakPolarHBondContact CG-O 2.93Å; K131-W134 HydrophobicContact CB-CZ2 3.92Å; K131-W134 VanDerWaalsContact O-CD1 3.27Å; K131-W134 PolarHBondContact O-NE1 3.5Å; K131-E138 IonicContact NZ-OE1 2.97Å; K131-E138 PolarHBondContact NZ-OE1 2.98Å
132E85.5Confident88.4Confident179 Ų17970.6 Ų70.684%0.83635%0.353SS*.SBendtrans-74.1-39.8-179.6-67.4-166.6167.800112.1
133Q88.2Confident88.1Confident112 Ų11270 Ų7052%0.52335%0.349SS..  trans-110.1122.2-176.5-62.2-165.267.800111.3E102 K131E102-Q133 PolarHBondContact OE1-NE2 2.98Å; E102-Q133 PolarHBondContact OE2-NE2 3.08Å; K131-Q133 WeakPolarHBondContact CD-O 3.45Å; K131-Q133 WeakPolarHBondContact CE-O 2.93Å; K131-Q133 VanDerWaalsContact CG-O 3.31Å; K131-Q133 WeakPolarHBondContact CG-O 2.93Å
134W89.8Confident87.4Confident42 Ų4277.1 Ų77.116%0.15938%0.376CS..  trans-123.6130177.4-69.379.7000110.6V98 L127 K131 E138 L139 Y142V98-W134 HydrophobicContact CG1-CH2 4.25Å; V98-W134 HydrophobicContact CG2-CH2 3.47Å; V98-W134 VanDerWaalsContact CG2-CH2 3.47Å; V98-W134 HydrophobicContact CG2-CZ2 4.29Å; V98-W134 HydrophobicContact CG2-CZ3 4.16Å; L127-W134 HydrophobicContact CB-CZ2 4.25Å; L127-W134 HydrophobicContact CD2-CH2 3.69Å; L127-W134 HydrophobicContact CD2-CZ2 3.8Å; L127-W134 HydrophobicContact CD2-CZ3 4.41Å; L127-W134 WeakPolarHBondContact O-CZ2 3.3Å; L127-W134 PolarHBondContact O-NE1 3.12Å; K131-W134 HydrophobicContact CB-CZ2 3.92Å; K131-W134 VanDerWaalsContact O-CD1 3.27Å; K131-W134 PolarHBondContact O-NE1 3.5Å; W134-E138 HydrophobicContact CE3-CB 3.73Å; W134-E138 HydrophobicContact CZ3-CB 4.12Å; W134-L139 HydrophobicContact CB-CB 4.16Å; W134-L139 HydrophobicContact CB-CD1 4.22Å; W134-L139 HydrophobicContact CD2-CD1 3.8Å; W134-L139 HydrophobicContact CE3-CB 4.19Å; W134-L139 HydrophobicContact CE3-CD1 3.96Å; W134-L139 HydrophobicContact CG-CD1 3.93Å; W134-Y142 HydrophobicContact CH2-CD2 4.12Å; W134-Y142 AromaticContact CH2-CE2 3.98Å; W134-Y142 HydrophobicContact CH2-CE2 3.98Å; W134-Y142 AromaticContact CZ3-CD2 3.8Å; W134-Y142 HydrophobicContact CZ3-CD2 3.8Å; W134-Y142 AromaticContact CZ3-CE2 3.76Å; W134-Y142 HydrophobicContact CZ3-CE2 3.76Å
135S87.9Confident86.2Confident54 Ų5477.8 Ų77.838%0.37838%0.38SS..  trans-71.8154.3159.974.60000110.1T137 E138 L139S135-T137 PolarHBondContact O-N 3.37Å; S135-E138 WeakPolarHBondContact CA-OE2 3.04Å; S135-E138 WeakPolarHBondContact CB-OE2 3Å; S135-E138 PolarHBondContact N-OE2 2.78Å; S135-E138 PolarHBondContact O-N 3.13Å; S135-E138 VanDerWaalsContact OG-CD 3.31Å; S135-E138 VanDerWaalsContact OG-CG 3.27Å; S135-E138 WeakPolarHBondContact OG-CG 3.43Å; S135-E138 PolarHBondContact OG-N 2.85Å; S135-E138 PolarHBondContact OG-OE2 3.05Å; S135-L139 WeakPolarHBondContact O-CB 3.13Å; S135-L139 PolarHBondContact O-N 3.16Å
136F86.7Confident84.5Confident147 Ų14772.1 Ų72.165%0.64536%0.355SS*.Hα-helixtrans-60.4-32176-177.9-105000112.4K140F136-K140 HydrophobicContact CE1-CB 4.43Å; F136-K140 HydrophobicContact CE1-CD 4.06Å; F136-K140 HydrophobicContact CZ-CB 4.42Å; F136-K140 HydrophobicContact CZ-CD 4.4Å; F136-K140 WeakPolarHBondContact O-CB 2.98Å; F136-K140 PolarHBondContact O-N 2.73Å
137T85.6Confident82.7Confident103 Ų10373.4 Ų73.463%0.63237%0.365SS*.Hα-helixtrans-66.8-41.4178.3-56.50000111.7S135 P141S135-T137 PolarHBondContact O-N 3.37Å; T137-P141 WeakPolarHBondContact O-CD 3.35Å
138E86.9Confident80.8Confident59 Ų5980.7 Ų80.728%0.27639%0.392SS..Hα-helixtrans-71.3-38.4176-68161.412200112K131 W134 S135 P141 Y142K131-E138 IonicContact NZ-OE1 2.97Å; K131-E138 PolarHBondContact NZ-OE1 2.98Å; W134-E138 HydrophobicContact CE3-CB 3.73Å; W134-E138 HydrophobicContact CZ3-CB 4.12Å; S135-E138 WeakPolarHBondContact CA-OE2 3.04Å; S135-E138 WeakPolarHBondContact CB-OE2 3Å; S135-E138 PolarHBondContact N-OE2 2.78Å; S135-E138 PolarHBondContact O-N 3.13Å; S135-E138 VanDerWaalsContact OG-CD 3.31Å; S135-E138 VanDerWaalsContact OG-CG 3.27Å; S135-E138 WeakPolarHBondContact OG-CG 3.43Å; S135-E138 PolarHBondContact OG-N 2.85Å; S135-E138 PolarHBondContact OG-OE2 3.05Å; E138-P141 VanDerWaalsContact O-CD 3.27Å; E138-P141 WeakPolarHBondContact O-CD 3.5Å; E138-Y142 VanDerWaalsContact O-CD2 3.31Å; E138-Y142 WeakPolarHBondContact O-CD2 3.49Å
139L88.2Confident78.5Confident27 Ų2781.7 Ų81.714%0.14139%0.393CS..Hα-helixtrans-77.4-40.9-174.5-167.969.6000112.9L127 W134 S135 Y142 L143L127-L139 HydrophobicContact CD1-CD1 4.02Å; W134-L139 HydrophobicContact CB-CB 4.16Å; W134-L139 HydrophobicContact CB-CD1 4.22Å; W134-L139 HydrophobicContact CD2-CD1 3.8Å; W134-L139 HydrophobicContact CE3-CB 4.19Å; W134-L139 HydrophobicContact CE3-CD1 3.96Å; W134-L139 HydrophobicContact CG-CD1 3.93Å; S135-L139 WeakPolarHBondContact O-CB 3.13Å; S135-L139 PolarHBondContact O-N 3.16Å; L139-Y142 PolarHBondContact O-N 3.45Å; L139-L143 HydrophobicContact CD2-CD1 4.13Å; L139-L143 HydrophobicContact CD2-CD2 4.42Å; L139-L143 HydrophobicContact CD2-CG 4.49Å; L139-L143 HydrophobicContact CG-CD1 4.11Å; L139-L143 HydrophobicContact CG-CD2 4.16Å; L139-L143 HydrophobicContact CG-CG 4.05Å; L139-L143 PolarHBondContact O-N 2.7Å
140K88.3Confident76.2Confident124 Ų12483.7 Ų83.754%0.53939%0.389SS..Hα-helixtrans-47.8-43.7-175.7173.5-174.7-178.9-173.80115.3F136 Y142 L143F136-K140 HydrophobicContact CE1-CB 4.43Å; F136-K140 HydrophobicContact CE1-CD 4.06Å; F136-K140 HydrophobicContact CZ-CB 4.42Å; F136-K140 HydrophobicContact CZ-CD 4.4Å; F136-K140 WeakPolarHBondContact O-CB 2.98Å; F136-K140 PolarHBondContact O-N 2.73Å; K140-Y142 VanDerWaalsContact C-N 3.3Å; K140-Y142 PolarHBondContact O-N 3.3Å; K140-L143 PolarHBondContact O-N 2.94Å
141P84.8Confident74.2Confident10 Ų1089 Ų897%0.06541%0.409CS..Hα-helixtrans-58.1-39.4177.5-16.724.7000113.2V94 D95 T137 E138V94-P141 HydrophobicContact CG1-CB 3.62Å; V94-P141 HydrophobicContact CG1-CG 3.2Å; D95-P141 HydrophobicContact CB-CB 3.8Å; T137-P141 WeakPolarHBondContact O-CD 3.35Å; E138-P141 VanDerWaalsContact O-CD 3.27Å; E138-P141 WeakPolarHBondContact O-CD 3.5Å
142Y86.5Confident71.8Confident8 Ų894.4 Ų94.43%0.03144%0.435CS..Hα-helixtrans-79.2-20.7-179.1-63.2-75.8000113.5A97 V98 F111 H113 L116 R123 L127 W134 E138 L139 K140 R144A97-Y142 PolarHBondContact O-OH 2.81Å; V98-Y142 HydrophobicContact CG2-CE2 4.36Å; F111-Y142 AromaticContact CD1-CE1 3.76Å; F111-Y142 HydrophobicContact CD1-CE1 3.76Å; F111-Y142 AromaticContact CD1-CZ 3.91Å; F111-Y142 HydrophobicContact CE1-CD1 4.49Å; F111-Y142 HydrophobicContact CE1-CE1 4.14Å; F111-Y142 VanDerWaalsContact O-CE1 3.31Å; F111-Y142 WeakPolarHBondContact O-CE1 3.46Å; F111-Y142 PolarHBondContact O-OH 3.23Å; H113-Y142 HydrophobicContact CB-CD1 3.62Å; H113-Y142 HydrophobicContact CB-CE1 3.88Å; L116-Y142 HydrophobicContact CD1-CD1 3.46Å; L116-Y142 VanDerWaalsContact CD1-CD1 3.46Å; L116-Y142 HydrophobicContact CD1-CE1 4.3Å; L116-Y142 HydrophobicContact CD1-CG 4.13Å; R123-Y142 WeakPolarHBondContact CD-O 3.31Å; L127-Y142 HydrophobicContact CD2-CD1 4.1Å; L127-Y142 HydrophobicContact CD2-CD2 4.02Å; L127-Y142 HydrophobicContact CD2-CG 3.67Å; W134-Y142 HydrophobicContact CH2-CD2 4.12Å; W134-Y142 AromaticContact CH2-CE2 3.98Å; W134-Y142 HydrophobicContact CH2-CE2 3.98Å; W134-Y142 AromaticContact CZ3-CD2 3.8Å; W134-Y142 HydrophobicContact CZ3-CD2 3.8Å; W134-Y142 AromaticContact CZ3-CE2 3.76Å; W134-Y142 HydrophobicContact CZ3-CE2 3.76Å; E138-Y142 VanDerWaalsContact O-CD2 3.31Å; E138-Y142 WeakPolarHBondContact O-CD2 3.49Å; L139-Y142 PolarHBondContact O-N 3.45Å; K140-Y142 VanDerWaalsContact C-N 3.3Å; K140-Y142 PolarHBondContact O-N 3.3Å; Y142-R144 VanDerWaalsContact C-N 3.28Å; Y142-R144 PolarHBondContact O-N 3.41Å
143L84.3Confident69.6Low73 Ų7394.8 Ų94.838%0.38245%0.45SS..Hα-helixtrans-75.2-17.1178.3-63.1-179.8000113.6L124 L139 K140 L145L124-L143 HydrophobicContact CD2-CD2 3.62Å; L139-L143 HydrophobicContact CD2-CD1 4.13Å; L139-L143 HydrophobicContact CD2-CD2 4.42Å; L139-L143 HydrophobicContact CD2-CG 4.49Å; L139-L143 HydrophobicContact CG-CD1 4.11Å; L139-L143 HydrophobicContact CG-CD2 4.16Å; L139-L143 HydrophobicContact CG-CG 4.05Å; L139-L143 PolarHBondContact O-N 2.7Å; K140-L143 PolarHBondContact O-N 2.94Å; L143-L145 PolarHBondContact O-N 3.48Å
144R73.5Confident68.7Low158 Ų15894 Ų9460%0.59645%0.446SS*.SBendtrans-69.5116.9177.7-70.9-173.2-71.5-175.7-1.2108.9Y142 H146Y142-R144 VanDerWaalsContact C-N 3.28Å; Y142-R144 PolarHBondContact O-N 3.41Å; R144-H146 PolarHBondContact O-N 2.88Å
145L63.8Low67.6Low80 Ų8096.7 Ų96.742%0.41946%0.461SS..  trans-50.6136.8163.6-80.5152.6000109.2L143 P147 Y150L143-L145 PolarHBondContact O-N 3.48Å; L145-P147 WeakPolarHBondContact O-CD 2.8Å; L145-Y150 HydrophobicContact CB-CE2 4.05Å; L145-Y150 HydrophobicContact CD1-CE2 4.21Å; L145-Y150 HydrophobicContact CD2-CE2 3.99Å; L145-Y150 WeakPolarHBondContact CD2-OH 3.17Å; L145-Y150 HydrophobicContact CG-CE2 4.31Å
146H57.1Low66.4Low26 Ų2699.1 Ų99.112%0.1247%0.466CS..  trans-49.5112.7175.1-68.5-59.3000109.4H113 D118 R144 W148 R149H113-H146 PolarHBondContact O-CE1 3.4Å; D118-H146 IonicContact OD1-CD2 3.85Å; D118-H146 PolarHBondContact OD1-CD2 3.18Å; R144-H146 PolarHBondContact O-N 2.88Å; H146-W148 PolarHBondContact O-N 2.59Å; H146-R149 HydrophobicContact CB-CB 4.32Å; H146-R149 PolarHBondContact O-N 3.46Å
147P52.6Low65.3Low79 Ų7996.2 Ų96.251%0.51346%0.455SS..THydrogen-bonded Turntrans-57.8-24.7-177.7-25.234.2000112.3L145 F151L145-P147 WeakPolarHBondContact O-CD 2.8Å; P147-F151 VanDerWaalsContact O-CD2 3.3Å; P147-F151 WeakPolarHBondContact O-CD2 3.37Å; P147-F151 VanDerWaalsContact O-CE2 3.24Å; P147-F151 WeakPolarHBondContact O-CE2 3.4Å
148W49.4Very low64Low152 Ų15295.8 Ų95.858%0.57644%0.444SS*.THydrogen-bonded Turntrans-94.5-10.7-170-51.6112.2000115.4H146 F151H146-W148 PolarHBondContact O-N 2.59Å; W148-F151 AromaticContact CE3-CD2 3.77Å; W148-F151 HydrophobicContact CE3-CD2 3.77Å; W148-F151 AromaticContact CE3-CE2 3.76Å; W148-F151 HydrophobicContact CE3-CE2 3.76Å; W148-F151 HydrophobicContact CZ3-CD2 4.27Å; W148-F151 AromaticContact CZ3-CE2 3.89Å; W148-F151 HydrophobicContact CZ3-CE2 3.89Å
149R44Very low62.5Low132 Ų13298.3 Ų98.350%0.49846%0.455SS..G310 helixtrans-80.3-21.5178.3-101.1176.5158.7155.3-9.2113.7D118 H146D118-R149 WeakPolarHBondContact OD1-CD 3.31Å; D118-R149 IonicContact OD1-CZ 2.64Å; D118-R149 IonicContact OD1-NE 3.38Å; D118-R149 PolarHBondContact OD1-NE 3.47Å; D118-R149 IonicContact OD1-NH1 3.95Å; D118-R149 PolarHBondContact OD1-NH1 2.96Å; D118-R149 WeakPolarHBondContact OD2-CD 3.14Å; D118-R149 IonicContact OD2-CZ 3.88Å; D118-R149 IonicContact OD2-NE 3.5Å; D118-R149 PolarHBondContact OD2-NE 2.9Å; D118-R149 IonicContact OD2-NH1 2.97Å; D118-R149 PolarHBondContact OD2-NH1 2.93Å; D118-R149 IonicContact OD2-NH2 3.92Å; D118-R149 PolarHBondContact OD2-NH2 3.47Å; H146-R149 HydrophobicContact CB-CB 4.32Å; H146-R149 PolarHBondContact O-N 3.46Å
150Y42.5Very low60.6Low153 Ų153103.4 Ų103.460%0.648%0.478SS*.G310 helixtrans-84.4-3.4176-68.9-74.7000114.6L145 Q152L145-Y150 HydrophobicContact CB-CE2 4.05Å; L145-Y150 HydrophobicContact CD1-CE2 4.21Å; L145-Y150 HydrophobicContact CD2-CE2 3.99Å; L145-Y150 WeakPolarHBondContact CD2-OH 3.17Å; L145-Y150 HydrophobicContact CG-CE2 4.31Å; Y150-Q152 PolarHBondContact O-N 3.31Å
151F44.9Very low58.5Low137 Ų137101.8 Ų101.860%0.60147%0.473SS*.G310 helixtrans-85.917.5171.3-68-77.7000113P147 W148P147-F151 VanDerWaalsContact O-CD2 3.3Å; P147-F151 WeakPolarHBondContact O-CD2 3.37Å; P147-F151 VanDerWaalsContact O-CE2 3.24Å; P147-F151 WeakPolarHBondContact O-CE2 3.4Å; W148-F151 AromaticContact CE3-CD2 3.77Å; W148-F151 HydrophobicContact CE3-CD2 3.77Å; W148-F151 AromaticContact CE3-CE2 3.76Å; W148-F151 HydrophobicContact CE3-CE2 3.76Å; W148-F151 HydrophobicContact CZ3-CD2 4.27Å; W148-F151 AromaticContact CZ3-CE2 3.89Å; W148-F151 HydrophobicContact CZ3-CE2 3.89Å
152Q36.9Very low56.3Low127 Ų127109.4 Ų109.459%0.59351%0.507SS*.G310 helixtrans-110.710.2179.1-65.8-169.1-5.500114.7A47 Y150A47-Q152 VanDerWaalsContact CB-NE2 3.31Å; Y150-Q152 PolarHBondContact O-N 3.31Å
153T40.2Very low53.6Low188 Ų188118.6 Ų118.6100%1.15355%0.55SS**  trans-111.5016554.20000110

Retrieved 153 of 153 residues in 368.5 ms (Link to these results)

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