A0A096N8Z0_PAPAN Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB (Q8N6F1), UniProt , Accession A0A096N8Z0, Species PAPAN (Papio anubis, Olive baboon), Gene CLDN19, Length 224 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
1M43.3Very low80.2Confident226 Ų22670 Ų70100%1.11340%0.396SS*.  0105.70-71-176.3-111.700109.2N3M1-N3 PolarHBondContact O-N 2.86Å
2A51.7Low81.5Confident29 Ų2974.3 Ų74.324%0.2441%0.408CS..  trans-59.8109.8164.300000107.6S4 K103 T185A2-S4 PolarHBondContact O-N 2.96Å; A2-K103 PolarHBondContact O-NZ 3.26Å; A2-T185 HydrophobicContact CB-CG2 3.73Å
3N70.3Confident82.7Confident126 Ų12672.2 Ų72.267%0.67440%0.395SS*.  trans-58.5128.3-179.8-152.65.3000106.4M1 G5 L6 Q7M1-N3 PolarHBondContact O-N 2.86Å; N3-G5 PolarHBondContact O-N 2.74Å; N3-L6 PolarHBondContact O-N 2.94Å; N3-Q7 PolarHBondContact O-N 3.46Å
4S79.8Confident83.7Confident73 Ų7367 Ų6751%0.5137%0.367SS..Hα-helixtrans-51.8-28-178.6-59.30000111.8A2 Q7 L8A2-S4 PolarHBondContact O-N 2.96Å; S4-Q7 PolarHBondContact O-N 3.04Å; S4-L8 WeakPolarHBondContact O-CB 3.42Å; S4-L8 PolarHBondContact O-N 3.11Å
5G86.2Confident84.5Confident44 Ų4465.9 Ų65.945%0.45436%0.36SS..Hα-helixtrans-61-39.217100000115.2N3 L8 L9N3-G5 PolarHBondContact O-N 2.74Å; G5-L8 PolarHBondContact O-N 3.43Å; G5-L9 VanDerWaalsContact O-CB 3.26Å; G5-L9 WeakPolarHBondContact O-CB 3.34Å; G5-L9 PolarHBondContact O-N 2.88Å
6L88.2Confident85.3Confident62 Ų6264 Ų6433%0.32536%0.36SS..Hα-helixtrans-69.8-39.5178.1-176.264.4000111.5N3 L8 L9 G10 F181N3-L6 PolarHBondContact O-N 2.94Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L9 PolarHBondContact O-N 3.34Å; L6-G10 PolarHBondContact O-N 3.07Å; L6-F181 HydrophobicContact CD1-CB 4.23Å; L6-F181 HydrophobicContact CD1-CD1 4.07Å; L6-F181 HydrophobicContact CD1-CD2 4.07Å; L6-F181 HydrophobicContact CD1-CE1 4.43Å; L6-F181 HydrophobicContact CD1-CE2 4.44Å; L6-F181 HydrophobicContact CD1-CG 3.87Å; L6-F181 HydrophobicContact CG-CB 4.38Å
7Q89.5Confident86Confident8 Ų860.2 Ų60.24%0.03734%0.339CS..Hα-helixtrans-65.1-41.9176.6-167.7176.826.100110.9N3 S4 G10 Y11 G101 M102 L182 T185N3-Q7 PolarHBondContact O-N 3.46Å; S4-Q7 PolarHBondContact O-N 3.04Å; Q7-G10 PolarHBondContact O-N 2.79Å; Q7-Y11 WeakPolarHBondContact O-CB 3.4Å; Q7-Y11 PolarHBondContact O-N 2.78Å; Q7-G101 PolarHBondContact NE2-O 3.5Å; Q7-M102 HydrophobicContact CG-CE 4.47Å; Q7-M102 HydrophobicContact CG-CG 3.99Å; Q7-L182 HydrophobicContact CG-CD2 3.88Å; Q7-T185 HydrophobicContact CB-CG2 4.3Å; Q7-T185 HydrophobicContact CG-CG2 4.25Å
8L91.3Very high86.7Confident75 Ų7559.2 Ų59.239%0.39333%0.329SS..Hα-helixtrans-66.8-42.3176.9-172.661.6000111.9S4 G5 L6 Y11 F12 M102S4-L8 WeakPolarHBondContact O-CB 3.42Å; S4-L8 PolarHBondContact O-N 3.11Å; G5-L8 PolarHBondContact O-N 3.43Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L8-Y11 PolarHBondContact O-N 2.84Å; L8-F12 HydrophobicContact CD1-CD2 3.93Å; L8-F12 HydrophobicContact CD1-CE2 3.35Å; L8-F12 HydrophobicContact CD1-CZ 4Å; L8-F12 HydrophobicContact CD2-CE2 4.03Å; L8-F12 HydrophobicContact CG-CD2 3.81Å; L8-F12 HydrophobicContact CG-CE2 3.45Å; L8-F12 VanDerWaalsContact CG-CE2 3.45Å; L8-F12 WeakPolarHBondContact O-CD2 3.02Å; L8-F12 PolarHBondContact O-N 2.05Å; L8-M102 HydrophobicContact CB-CE 4.36Å; L8-M102 HydrophobicContact CD1-CE 3.74Å
9L93.3Very high87.3Confident89 Ų8960.2 Ų60.247%0.46634%0.337SS..Hα-helixtrans-60.3-48.4173.4178.462.9000111.2G5 L6 Y11 F12 L13 F181G5-L9 VanDerWaalsContact O-CB 3.26Å; G5-L9 WeakPolarHBondContact O-CB 3.34Å; G5-L9 PolarHBondContact O-N 2.88Å; L6-L9 PolarHBondContact O-N 3.34Å; L9-Y11 VanDerWaalsContact C-N 3.3Å; L9-Y11 PolarHBondContact O-N 2.9Å; L9-F12 PolarHBondContact O-N 2.83Å; L9-L13 HydrophobicContact CD1-CD1 4.14Å; L9-L13 HydrophobicContact CD1-CG 4.22Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 HydrophobicContact CG-CG 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.37Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.68Å; L9-F181 HydrophobicContact CD2-CE2 4.23Å
10G94.1Very high87.8Confident0 Ų057.9 Ų57.90%033%0.327CS..Hα-helixtrans-57.3-42.8176.400000112.3L6 Q7 L13 A14 G178L6-G10 PolarHBondContact O-N 3.07Å; Q7-G10 PolarHBondContact O-N 2.79Å; G10-L13 PolarHBondContact O-N 3.38Å; G10-A14 VanDerWaalsContact O-CB 3.28Å; G10-A14 WeakPolarHBondContact O-CB 3.09Å; G10-A14 PolarHBondContact O-N 3.43Å; G10-G178 VanDerWaalsContact O-CA 3.24Å; G10-G178 WeakPolarHBondContact O-CA 3.08Å
11Y94.5Very high88.2Confident38 Ų3855.2 Ų55.215%0.14931%0.312CS..Hα-helixtrans-62.2-47.7175.6177.9-101.9000112.8Q7 L8 L9 L13 A14 L15 M95 V99 M102Q7-Y11 WeakPolarHBondContact O-CB 3.4Å; Q7-Y11 PolarHBondContact O-N 2.78Å; L8-Y11 PolarHBondContact O-N 2.84Å; L9-Y11 VanDerWaalsContact C-N 3.3Å; L9-Y11 PolarHBondContact O-N 2.9Å; Y11-L13 PolarHBondContact O-N 2.85Å; Y11-A14 PolarHBondContact O-N 2.92Å; Y11-L15 WeakPolarHBondContact O-CB 3.3Å; Y11-L15 PolarHBondContact O-N 3.46Å; Y11-M95 HydrophobicContact CE2-CE 3.78Å; Y11-M95 HydrophobicContact CE2-SD 4.11Å; Y11-M95 WeakPolarHBondContact OH-CE 3.39Å; Y11-V99 HydrophobicContact CE2-CG2 3.62Å; Y11-V99 WeakPolarHBondContact OH-CG2 3.3Å; Y11-M102 HydrophobicContact CD1-CE 4.26Å; Y11-M102 HydrophobicContact CD1-SD 4.23Å; Y11-M102 HydrophobicContact CD2-SD 3.73Å; Y11-M102 HydrophobicContact CE2-SD 4.32Å; Y11-M102 HydrophobicContact CG-CE 3.92Å; Y11-M102 HydrophobicContact CG-SD 3.66Å
12F95.9Very high90.8Very high122 Ų12247.5 Ų47.554%0.53528%0.275SS..Hα-helixtrans-67-36.9179.1-75.4-59.6000112.8L8 L9 L15 G16L8-F12 HydrophobicContact CD1-CD2 3.93Å; L8-F12 HydrophobicContact CD1-CE2 3.35Å; L8-F12 HydrophobicContact CD1-CZ 4Å; L8-F12 HydrophobicContact CD2-CE2 4.03Å; L8-F12 HydrophobicContact CG-CD2 3.81Å; L8-F12 HydrophobicContact CG-CE2 3.45Å; L8-F12 VanDerWaalsContact CG-CE2 3.45Å; L8-F12 WeakPolarHBondContact O-CD2 3.02Å; L8-F12 PolarHBondContact O-N 2.05Å; L9-F12 PolarHBondContact O-N 2.83Å; F12-L15 HydrophobicContact CD1-CD2 4.39Å; F12-G16 PolarHBondContact O-N 2.83Å
13L96.7Very high92.9Very high46 Ų4648 Ų4824%0.24128%0.279CS..Hα-helixtrans-63.6-45173-71172000111.4L9 G10 Y11 G16 G17 L174 F181L9-L13 HydrophobicContact CD1-CD1 4.14Å; L9-L13 HydrophobicContact CD1-CG 4.22Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 HydrophobicContact CG-CG 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.37Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.68Å; G10-L13 PolarHBondContact O-N 3.38Å; Y11-L13 PolarHBondContact O-N 2.85Å; L13-G16 PolarHBondContact O-N 3.06Å; L13-G17 PolarHBondContact O-N 2.98Å; L13-L174 HydrophobicContact CD2-CD2 3.86Å; L13-F181 HydrophobicContact CD1-CD2 3.79Å; L13-F181 HydrophobicContact CD1-CE2 3.62Å
14A96.5Very high94.1Very high0 Ų042 Ų420%025%0.247CC..Hα-helixtrans-65.6-40.9177.800000112.3G10 Y11 G17 W18 F126 L182G10-A14 VanDerWaalsContact O-CB 3.28Å; G10-A14 WeakPolarHBondContact O-CB 3.09Å; G10-A14 PolarHBondContact O-N 3.43Å; Y11-A14 PolarHBondContact O-N 2.92Å; A14-G17 PolarHBondContact O-N 2.92Å; A14-W18 WeakPolarHBondContact O-CB 3.43Å; A14-W18 PolarHBondContact O-N 2.77Å; A14-F126 HydrophobicContact CB-CB 4.49Å; A14-F126 HydrophobicContact CB-CD1 3.87Å; A14-F126 HydrophobicContact CB-CD2 3.65Å; A14-F126 HydrophobicContact CB-CE1 3.9Å; A14-F126 HydrophobicContact CB-CE2 3.64Å; A14-F126 HydrophobicContact CB-CG 3.76Å; A14-F126 HydrophobicContact CB-CZ 3.78Å; A14-L182 HydrophobicContact CB-CD1 4.35Å
15L96.6Very high94.8Very high51 Ų5139.2 Ų39.227%0.26723%0.226SC..Hα-helixtrans-61.2-48.3173.7173.670.2000111.1Y11 F12 G17 W18 V19 M95Y11-L15 WeakPolarHBondContact O-CB 3.3Å; Y11-L15 PolarHBondContact O-N 3.46Å; F12-L15 HydrophobicContact CD1-CD2 4.39Å; L15-G17 VanDerWaalsContact C-N 3.32Å; L15-G17 PolarHBondContact O-N 2.61Å; L15-W18 PolarHBondContact O-N 2.84Å; L15-V19 HydrophobicContact CD1-CG2 4.39Å; L15-V19 WeakPolarHBondContact O-CG2 3.39Å; L15-V19 PolarHBondContact O-N 2.73Å; L15-M95 HydrophobicContact CB-CE 4.36Å; L15-M95 HydrophobicContact CB-SD 3.94Å; L15-M95 HydrophobicContact CD1-CE 3.34Å; L15-M95 HydrophobicContact CD1-SD 3.63Å; L15-M95 HydrophobicContact CG-CE 4.32Å; L15-M95 HydrophobicContact CG-SD 4.38Å
16G97.4Very high95.2Very high35 Ų3540 Ų4036%0.36123%0.229SC..Hα-helixtrans-60.9-41.4176.400000112.2F12 L13 G20F12-G16 PolarHBondContact O-N 2.83Å; L13-G16 PolarHBondContact O-N 3.06Å; G16-G20 PolarHBondContact O-N 2.87Å
17G97.5Very high95.4Very high0 Ų039.8 Ų39.80%023%0.227CC..Hα-helixtrans-58.5-49.6171.400000111.9L13 A14 L15 V19 G20 I21 S171L13-G17 PolarHBondContact O-N 2.98Å; A14-G17 PolarHBondContact O-N 2.92Å; L15-G17 VanDerWaalsContact C-N 3.32Å; L15-G17 PolarHBondContact O-N 2.61Å; G17-V19 PolarHBondContact O-N 2.79Å; G17-G20 CarbonylContact O-C 3.54Å; G17-G20 WeakPolarHBondContact O-CA 3.09Å; G17-G20 PolarHBondContact O-N 2.91Å; G17-G20 VanDerWaalsContact O-N 3.1Å; G17-I21 WeakPolarHBondContact O-CG1 3.27Å; G17-I21 PolarHBondContact O-N 3.43Å; G17-S171 WeakPolarHBondContact CA-O 3.5Å; G17-S171 WeakPolarHBondContact O-CB 3.5Å
18W97.6Very high95.5Very high42 Ų4241 Ų4116%0.15924%0.236CC..Hα-helixtrans-63.6-41.7-180-176.365.1000113.4A14 L15 G20 I21 I22 V88 G91 F92 M95 F126A14-W18 WeakPolarHBondContact O-CB 3.43Å; A14-W18 PolarHBondContact O-N 2.77Å; L15-W18 PolarHBondContact O-N 2.84Å; W18-G20 VanDerWaalsContact C-N 3.28Å; W18-G20 PolarHBondContact O-N 2.89Å; W18-I21 WeakPolarHBondContact O-CB 3.27Å; W18-I21 PolarHBondContact O-N 3.18Å; W18-I21 VanDerWaalsContact O-N 3.17Å; W18-I22 HydrophobicContact CD2-CD1 3.89Å; W18-I22 HydrophobicContact CE3-CD1 3.89Å; W18-I22 HydrophobicContact CH2-CD1 3.65Å; W18-I22 HydrophobicContact CZ2-CD1 3.64Å; W18-I22 HydrophobicContact CZ3-CD1 3.77Å; W18-I22 WeakPolarHBondContact O-CG1 3.45Å; W18-I22 PolarHBondContact O-N 3.21Å; W18-V88 PolarHBondContact NE1-O 2.9Å; W18-G91 VanDerWaalsContact CD1-CA 3.42Å; W18-F92 HydrophobicContact CH2-CD2 4.05Å; W18-F92 HydrophobicContact CZ2-CB 3.79Å; W18-F92 HydrophobicContact CZ2-CD2 4.04Å; W18-F92 HydrophobicContact CZ2-CG 4.43Å; W18-M95 HydrophobicContact CD2-CG 4.22Å; W18-M95 HydrophobicContact CE3-CG 4.13Å; W18-F126 HydrophobicContact CB-CE1 4.2Å
19V97.7Very high95.6Very high78 Ų7840.3 Ų40.347%0.47323%0.231SC..Hα-helixtrans-61-40.3172.2173.20000110.7L15 G17 I22 A23L15-V19 HydrophobicContact CD1-CG2 4.39Å; L15-V19 WeakPolarHBondContact O-CG2 3.39Å; L15-V19 PolarHBondContact O-N 2.73Å; G17-V19 PolarHBondContact O-N 2.79Å; V19-I22 PolarHBondContact O-N 3.27Å; V19-A23 WeakPolarHBondContact O-CB 3.18Å; V19-A23 PolarHBondContact O-N 3.19Å
20G97.1Very high95.6Very high14 Ų1436 Ų3614%0.14421%0.209CC..Hα-helixtrans-62.1-38.7173.300000113.5G16 G17 W18 A23 S24 S171G16-G20 PolarHBondContact O-N 2.87Å; G17-G20 CarbonylContact O-C 3.54Å; G17-G20 WeakPolarHBondContact O-CA 3.09Å; G17-G20 PolarHBondContact O-N 2.91Å; G17-G20 VanDerWaalsContact O-N 3.1Å; W18-G20 VanDerWaalsContact C-N 3.28Å; W18-G20 PolarHBondContact O-N 2.89Å; G20-A23 PolarHBondContact O-N 3.13Å; G20-S24 WeakPolarHBondContact O-CB 3.31Å; G20-S24 PolarHBondContact O-N 3.47Å; G20-S171 VanDerWaalsContact C-CB 3.44Å
21I97.5Very high95.4Very high1 Ų137.7 Ų37.71%0.00522%0.216CC..Hα-helixtrans-63.2-45.1175.2-65.9168.8000109.9G17 W18 S24 T25 M84 A87 V88 T133 S171 A175G17-I21 WeakPolarHBondContact O-CG1 3.27Å; G17-I21 PolarHBondContact O-N 3.43Å; W18-I21 WeakPolarHBondContact O-CB 3.27Å; W18-I21 PolarHBondContact O-N 3.18Å; W18-I21 VanDerWaalsContact O-N 3.17Å; I21-S24 PolarHBondContact O-N 3.08Å; I21-T25 WeakPolarHBondContact O-CB 3.44Å; I21-T25 PolarHBondContact O-N 3.1Å; I21-T25 PolarHBondContact O-OG1 2.97Å; I21-M84 HydrophobicContact CG2-CE 4.03Å; I21-A87 HydrophobicContact CG2-CB 4.17Å; I21-V88 HydrophobicContact CG2-CG2 3.84Å; I21-T133 WeakPolarHBondContact CD1-OG1 3.4Å; I21-T133 HydrophobicContact CG1-CG2 4Å; I21-T133 WeakPolarHBondContact CG1-OG1 3.36Å; I21-S171 WeakPolarHBondContact CG1-OG 3.41Å; I21-A175 HydrophobicContact CD1-CB 4.27Å
22I97.2Very high95.2Very high65 Ų6538.9 Ų38.933%0.33322%0.223SC..Hα-helixtrans-60.8-47.7176-66.1167.4000110.4W18 V19 T25 A26 V88W18-I22 HydrophobicContact CD2-CD1 3.89Å; W18-I22 HydrophobicContact CE3-CD1 3.89Å; W18-I22 HydrophobicContact CH2-CD1 3.65Å; W18-I22 HydrophobicContact CZ2-CD1 3.64Å; W18-I22 HydrophobicContact CZ3-CD1 3.77Å; W18-I22 WeakPolarHBondContact O-CG1 3.45Å; W18-I22 PolarHBondContact O-N 3.21Å; V19-I22 PolarHBondContact O-N 3.27Å; I22-T25 WeakPolarHBondContact O-CB 3.31Å; I22-T25 PolarHBondContact O-N 2.97Å; I22-A26 WeakPolarHBondContact O-CB 3.46Å; I22-A26 PolarHBondContact O-N 3.36Å; I22-V88 HydrophobicContact CG1-CG1 4.1Å; I22-V88 HydrophobicContact CG1-CG2 4.11Å
23A96.6Very high94.7Very high40 Ų4033.7 Ų33.733%0.33120%0.201SC..Hα-helixtrans-60-49.5178.600000111.6V19 G20 T25 A26 L27V19-A23 WeakPolarHBondContact O-CB 3.18Å; V19-A23 PolarHBondContact O-N 3.19Å; G20-A23 PolarHBondContact O-N 3.13Å; A23-T25 VanDerWaalsContact C-N 3.29Å; A23-T25 PolarHBondContact O-N 3.01Å; A23-A26 PolarHBondContact O-N 3.33Å; A23-A26 VanDerWaalsContact O-N 3.15Å; A23-L27 WeakPolarHBondContact O-CB 3.19Å; A23-L27 WeakPolarHBondContact O-CG 3.45Å; A23-L27 PolarHBondContact O-N 2.96Å
24S95.3Very high93.7Very high0 Ų033.2 Ų33.20%020%0.202CC..Hα-helixtrans-58.7-40.2176.1177.50000111.8G20 I21 A26 W30 A164 G168G20-S24 WeakPolarHBondContact O-CB 3.31Å; G20-S24 PolarHBondContact O-N 3.47Å; I21-S24 PolarHBondContact O-N 3.08Å; S24-A26 PolarHBondContact O-N 3.16Å; S24-W30 PolarHBondContact O-NE1 3Å; S24-A164 PolarHBondContact OG-O 3.47Å; S24-G168 WeakPolarHBondContact OG-CA 3.23Å
25T94.7Very high92.3Very high13 Ų1339.6 Ų39.68%0.0823%0.227CC..Hα-helixtrans-63.9-38.3176.6-54.90000112.4I21 I22 A23 L50 W51 M84I21-T25 WeakPolarHBondContact O-CB 3.44Å; I21-T25 PolarHBondContact O-N 3.1Å; I21-T25 PolarHBondContact O-OG1 2.97Å; I22-T25 WeakPolarHBondContact O-CB 3.31Å; I22-T25 PolarHBondContact O-N 2.97Å; A23-T25 VanDerWaalsContact C-N 3.29Å; A23-T25 PolarHBondContact O-N 3.01Å; T25-L50 HydrophobicContact CG2-CD2 4.07Å; T25-W51 HydrophobicContact CG2-CZ2 4.27Å; T25-W51 PolarHBondContact O-NE1 3.15Å; T25-M84 HydrophobicContact CG2-CB 4.14Å; T25-M84 WeakPolarHBondContact OG1-CE 3.44Å
26A94.1Very high90.5Very high61 Ų6140.4 Ų40.450%0.50424%0.241SC..Hα-helixtrans-83.5-28.4-176.800000113.6I22 A23 S24I22-A26 WeakPolarHBondContact O-CB 3.46Å; I22-A26 PolarHBondContact O-N 3.36Å; A23-A26 PolarHBondContact O-N 3.33Å; A23-A26 VanDerWaalsContact O-N 3.15Å; S24-A26 PolarHBondContact O-N 3.16Å
27L93.4Very high88.4Confident57 Ų5739.7 Ų39.730%0.29823%0.234SC..  trans-64.5134-175.8-79.4167.1000111.9A23 Q29 W30 A164 V167A23-L27 WeakPolarHBondContact O-CB 3.19Å; A23-L27 WeakPolarHBondContact O-CG 3.45Å; A23-L27 PolarHBondContact O-N 2.96Å; L27-Q29 PolarHBondContact O-N 3.24Å; L27-W30 VanDerWaalsContact O-CD1 3.3Å; L27-A164 HydrophobicContact CB-CB 3.73Å; L27-A164 HydrophobicContact CD1-CB 4.18Å; L27-V167 HydrophobicContact CD1-CG2 4.49Å
28P91Very high86.2Confident33 Ų3347.2 Ų47.221%0.21427%0.274CS..SBendtrans-83.211.4-179.334.9-36.5000113.7E48 G49 M52P28-E48 CarbonylContact O-C 3.55Å; P28-G49 VanDerWaalsContact C-CA 3.41Å; P28-G49 VanDerWaalsContact O-CA 3.27Å; P28-G49 WeakPolarHBondContact O-CA 3.11Å; P28-G49 PolarHBondContact O-N 2.92Å; P28-M52 HydrophobicContact CB-CG 3.55Å; P28-M52 HydrophobicContact CB-SD 3.92Å; P28-M52 HydrophobicContact CG-SD 4.45Å
29Q92.1Very high83.9Confident61 Ų6149.2 Ų49.229%0.28530%0.3SS..  trans-117.656.6-168.9-60.1179.3-58.300111.1L27 Y47 G162 P163 A164L27-Q29 PolarHBondContact O-N 3.24Å; Q29-Y47 HydrophobicContact CG-CD1 4.09Å; Q29-Y47 HydrophobicContact CG-CG 4.41Å; Q29-G162 CarbonylContact O-C 3.58Å; Q29-G162 WeakPolarHBondContact O-CA 3.43Å; Q29-P163 HydrophobicContact CB-CG 3.68Å; Q29-P163 HydrophobicContact CG-CG 4.34Å; Q29-A164 WeakPolarHBondContact O-CB 3.38Å; Q29-A164 PolarHBondContact O-N 3.32Å
30W93.8Very high81.8Confident0 Ų052.2 Ų52.20%031%0.311CS..SBendtrans-79.9-37.4174.8-82.258.8000111.4S24 L27 E48 L50 M84 V137 Y140 G162 A164 L165S24-W30 PolarHBondContact O-NE1 3Å; L27-W30 VanDerWaalsContact O-CD1 3.3Å; W30-E48 WeakPolarHBondContact CA-O 3.15Å; W30-E48 WeakPolarHBondContact CB-O 3.41Å; W30-E48 PolarHBondContact N-O 2.9Å; W30-L50 HydrophobicContact CZ2-CD2 4.37Å; W30-M84 HydrophobicContact CH2-CE 4.26Å; W30-M84 HydrophobicContact CH2-CG 3.76Å; W30-M84 HydrophobicContact CH2-SD 3.86Å; W30-M84 HydrophobicContact CZ2-CE 4.05Å; W30-M84 HydrophobicContact CZ2-CG 4.03Å; W30-M84 HydrophobicContact CZ2-SD 4.23Å; W30-V137 HydrophobicContact CH2-CG2 3.88Å; W30-V137 HydrophobicContact CZ3-CG2 4.23Å; W30-Y140 HydrophobicContact CB-CD1 4.45Å; W30-Y140 HydrophobicContact CB-CE1 3.81Å; W30-Y140 AromaticContact CE3-CD1 3.85Å; W30-Y140 HydrophobicContact CE3-CD1 3.85Å; W30-Y140 AromaticContact CE3-CD2 3.81Å; W30-Y140 HydrophobicContact CE3-CD2 3.81Å; W30-Y140 HydrophobicContact CE3-CE1 4.25Å; W30-Y140 HydrophobicContact CE3-CE2 4.21Å; W30-Y140 AromaticContact CE3-CG 3.62Å; W30-Y140 HydrophobicContact CE3-CG 3.62Å; W30-Y140 HydrophobicContact CZ3-CD2 4.25Å; W30-Y140 HydrophobicContact CZ3-CG 4.04Å; W30-G162 PolarHBondContact O-N 2.84Å; W30-A164 HydrophobicContact CG-CB 4.23Å; W30-L165 HydrophobicContact CD2-CD2 4.12Å; W30-L165 HydrophobicContact CE3-CD2 3.47Å; W30-L165 VanDerWaalsContact CE3-CD2 3.47Å; W30-L165 HydrophobicContact CZ3-CD2 3.86Å; W30-L165 WeakPolarHBondContact O-CD1 2.89Å; W30-L165 VanDerWaalsContact O-CG 3.28Å; W30-L165 WeakPolarHBondContact O-CG 3.3Å
31K91Very high80.1Confident34 Ų3459.8 Ų59.815%0.14835%0.347CS..EExtended strand (participates in β ladder)trans-137.1152.7167.764.9179.7-175175.40110.7E48 Y140 V144 Y159 E160K31-E48 HydrophobicContact CD-CB 4.29Å; K31-E48 VanDerWaalsContact CE-CB 3.4Å; K31-E48 WeakPolarHBondContact CE-OE2 2.78Å; K31-E48 HydrophobicContact CG-CB 3.77Å; K31-E48 PolarHBondContact N-O 3.29Å; K31-E48 IonicContact NZ-OE1 2.76Å; K31-E48 IonicContact NZ-OE2 3.91Å; K31-E48 PolarHBondContact NZ-OE2 2.94Å; K31-E48 PolarHBondContact O-N 3.38Å; K31-Y140 HydrophobicContact CB-CE1 4.1Å; K31-Y140 HydrophobicContact CD-CE1 4.34Å; K31-Y140 WeakPolarHBondContact CD-OH 3.48Å; K31-Y140 HydrophobicContact CG-CE1 4.28Å; K31-Y140 WeakPolarHBondContact CG-OH 3.43Å; K31-V144 HydrophobicContact CB-CG2 4.02Å; K31-V144 HydrophobicContact CD-CG2 4.2Å; K31-Y159 HydrophobicContact CB-CD1 4.01Å; K31-Y159 HydrophobicContact CB-CG 4.34Å; K31-Y159 HydrophobicContact CD-CD1 3.69Å; K31-Y159 HydrophobicContact CD-CD2 4.16Å; K31-Y159 HydrophobicContact CD-CE1 4.22Å; K31-Y159 HydrophobicContact CD-CG 3.66Å; K31-Y159 HydrophobicContact CG-CD1 3.57Å; K31-Y159 HydrophobicContact CG-CE1 4.12Å; K31-Y159 HydrophobicContact CG-CG 4.03Å; K31-E160 VanDerWaalsContact CA-O 3.31Å; K31-E160 WeakPolarHBondContact CA-O 3.41Å
32Q89.6Confident78.2Confident63 Ų6362.8 Ų62.829%0.29437%0.365SS..EExtended strand (participates in β ladder)trans-129.6137.6-178177.5-179.9-42.100109.4S34 L46 Y47 Y159 E160Q32-S34 PolarHBondContact O-N 3.37Å; Q32-L46 CarbonylContact C-O 3.56Å; Q32-L46 WeakPolarHBondContact CA-O 3.42Å; Q32-Y47 HydrophobicContact CB-CD1 4.08Å; Q32-Y47 HydrophobicContact CB-CE1 4.35Å; Q32-Y47 VanDerWaalsContact CD-CE1 3.49Å; Q32-Y47 HydrophobicContact CG-CD1 3.79Å; Q32-Y47 HydrophobicContact CG-CE1 3.62Å; Q32-Y47 VanDerWaalsContact OE1-CE1 3.28Å; Q32-Y159 VanDerWaalsContact C-CD1 3.44Å; Q32-Y159 CarbonylContact O-C 3.49Å; Q32-Y159 VanDerWaalsContact O-CA 3.3Å; Q32-Y159 WeakPolarHBondContact O-CA 3.46Å; Q32-E160 PolarHBondContact N-O 2.91Å; Q32-E160 PolarHBondContact O-N 2.58Å
33S85.8Confident76.7Confident13 Ų1361 Ų619%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-64.1129176.658.10000110.7Y35 L46S33-Y35 VanDerWaalsContact C-N 3.28Å; S33-Y35 PolarHBondContact O-N 2.64Å; S33-L46 PolarHBondContact N-O 2.76Å; S33-L46 PolarHBondContact OG-N 2.68Å; S33-L46 PolarHBondContact OG-O 3.23Å
34S75.7Confident75.6Confident36 Ų3661.1 Ų61.125%0.25236%0.357SS..SBendtrans-72.2-25.5-178.7-33.20000112.1Q32 R158 E160Q32-S34 PolarHBondContact O-N 3.37Å; S34-R158 WeakPolarHBondContact CB-O 3.36Å; S34-R158 PolarHBondContact N-O 3.29Å; S34-R158 VanDerWaalsContact OG-C 3.31Å; S34-R158 PolarHBondContact OG-O 3.1Å; S34-E160 WeakPolarHBondContact CB-OE1 3.26Å; S34-E160 WeakPolarHBondContact OG-CG 3.23Å
35Y66.4Low75Confident134 Ų13462 Ų6253%0.52537%0.365SS..  trans-112.3111.4-172.8-134.5-90.3000110.2S33 G37S33-Y35 VanDerWaalsContact C-N 3.28Å; S33-Y35 PolarHBondContact O-N 2.64Å; Y35-G37 PolarHBondContact O-N 3.47Å; Y35-G37 VanDerWaalsContact O-N 3.07Å
36A58.2Low74.6Confident68 Ų6864.4 Ų64.456%0.56238%0.378SS*.  trans-79.273.616100000107.7D38 A43A36-D38 PolarHBondContact O-N 3.06Å; A36-A43 HydrophobicContact CB-CB 4.45Å
37G53.9Low74.4Confident20 Ų2064 Ų6421%0.20636%0.363CS..  trans-72.8124.2-16900000114.3Y35 A39Y35-G37 PolarHBondContact O-N 3.47Å; Y35-G37 VanDerWaalsContact O-N 3.07Å; G37-A39 PolarHBondContact O-N 2.93Å
38D52.1Low74.2Confident159 Ų15962.8 Ų62.885%0.8536%0.356SS*.THydrogen-bonded Turntrans-56.25.6168.1-85.3-33.2000115.4A36A36-D38 PolarHBondContact O-N 3.06Å
39A48.6Very low74.2Confident84 Ų8461.2 Ų61.269%0.69435%0.346SS*.THydrogen-bonded Turntrans-98.99.5-163.400000115.7G37G37-A39 PolarHBondContact O-N 2.93Å
40I53.5Low74.1Confident140 Ų14058.3 Ų58.372%0.71833%0.333SS*.SBendtrans-147.354.6172.9-38174.5000111.3T42I40-T42 PolarHBondContact O-N 3.44Å
41I60.7Low74Confident173 Ų17362.7 Ų62.789%0.88735%0.349SS*.SBendtrans67.3-21.1169.3-55.4170.5000116
42T59Low73.9Confident65 Ų6563.8 Ų63.840%0.39936%0.356SS..SBendtrans-145.2134.7177.353.60000110.3I40 V44I40-T42 PolarHBondContact O-N 3.44Å; T42-V44 PolarHBondContact O-N 2.98Å
43A65.2Low73.9Confident28 Ų2862.3 Ų62.323%0.23135%0.352CS..  trans-73120.6171.400000109.1A36 S58A36-A43 HydrophobicContact CB-CB 4.45Å; A43-S58 WeakPolarHBondContact CB-OG 3.36Å; A43-S58 PolarHBondContact O-N 3.43Å; A43-S58 VanDerWaalsContact O-N 3.11Å; A43-S58 PolarHBondContact O-OG 3.47Å
44V73.5Confident74.2Confident41 Ų4161.9 Ų61.925%0.24835%0.349CS..EExtended strand (participates in β ladder)trans-123.2123-178.8-176.10000109T42 L46 A55 S56 Q57T42-V44 PolarHBondContact O-N 2.98Å; V44-L46 HydrophobicContact CG1-CD2 4.15Å; V44-A55 HydrophobicContact CG1-CB 3.85Å; V44-S56 CarbonylContact C-O 3.56Å; V44-S56 WeakPolarHBondContact CA-O 3.37Å; V44-Q57 HydrophobicContact CG1-CG 4.45Å; V44-Q57 HydrophobicContact CG2-CG 4.1Å
45G82.5Confident74.7Confident18 Ų1861.2 Ų61.219%0.18635%0.346CS..EExtended strand (participates in β ladder)trans-90.8122.6168.800000110.2S56G45-S56 PolarHBondContact N-O 3.49Å; G45-S56 PolarHBondContact O-N 2.95Å
46L87.5Confident75.7Confident64 Ų6456.5 Ų56.534%0.33533%0.332SS..EExtended strand (participates in β ladder)trans-97.8129.4177.1-63.9172.4000110.1Q32 S33 V44 A55 Y159Q32-L46 CarbonylContact C-O 3.56Å; Q32-L46 WeakPolarHBondContact CA-O 3.42Å; S33-L46 PolarHBondContact N-O 2.76Å; S33-L46 PolarHBondContact OG-N 2.68Å; S33-L46 PolarHBondContact OG-O 3.23Å; V44-L46 HydrophobicContact CG1-CD2 4.15Å; L46-A55 HydrophobicContact CD2-CB 3.73Å; L46-Y159 HydrophobicContact CB-CE1 4.44Å
47Y89.2Confident76.9Confident53 Ų5355.6 Ų55.621%0.20832%0.317CS..EExtended strand (participates in β ladder)trans-116.2124171.8-52.7-87000108Q29 Q32 S53 C54Q29-Y47 HydrophobicContact CG-CD1 4.09Å; Q29-Y47 HydrophobicContact CG-CG 4.41Å; Q32-Y47 HydrophobicContact CB-CD1 4.08Å; Q32-Y47 HydrophobicContact CB-CE1 4.35Å; Q32-Y47 VanDerWaalsContact CD-CE1 3.49Å; Q32-Y47 HydrophobicContact CG-CD1 3.79Å; Q32-Y47 HydrophobicContact CG-CE1 3.62Å; Q32-Y47 VanDerWaalsContact OE1-CE1 3.28Å; Y47-S53 CarbonylContact O-C 3.18Å; Y47-S53 WeakPolarHBondContact O-CA 3.44Å; Y47-C54 PolarHBondContact N-O 3.32Å; Y47-C54 PolarHBondContact O-N 3.33Å
48E89.7Confident78Confident32 Ų3259 Ų5915%0.1534%0.337CS..EExtended strand (participates in β ladder)trans-111.1129.1173.5-73.9-175.8-146.600109.8P28 W30 K31 Y159P28-E48 CarbonylContact O-C 3.55Å; W30-E48 WeakPolarHBondContact CA-O 3.15Å; W30-E48 WeakPolarHBondContact CB-O 3.41Å; W30-E48 PolarHBondContact N-O 2.9Å; K31-E48 HydrophobicContact CD-CB 4.29Å; K31-E48 VanDerWaalsContact CE-CB 3.4Å; K31-E48 WeakPolarHBondContact CE-OE2 2.78Å; K31-E48 HydrophobicContact CG-CB 3.77Å; K31-E48 PolarHBondContact N-O 3.29Å; K31-E48 IonicContact NZ-OE1 2.76Å; K31-E48 IonicContact NZ-OE2 3.91Å; K31-E48 PolarHBondContact NZ-OE2 2.94Å; K31-E48 PolarHBondContact O-N 3.38Å; E48-Y159 HydrophobicContact CG-CE1 4.32Å; E48-Y159 VanDerWaalsContact OE1-CZ 3.26Å; E48-Y159 PolarHBondContact OE1-OH 3.42Å
49G91.1Very high79.4Confident0 Ų056.2 Ų56.20%033%0.326CS..  trans-108.1-176.9177.400000111.7P28 M52P28-G49 VanDerWaalsContact C-CA 3.41Å; P28-G49 VanDerWaalsContact O-CA 3.27Å; P28-G49 WeakPolarHBondContact O-CA 3.11Å; P28-G49 PolarHBondContact O-N 2.92Å; G49-M52 WeakPolarHBondContact CA-O 3.21Å; G49-M52 PolarHBondContact N-O 3.19Å
50L89.8Confident80.8Confident0 Ų055.2 Ų55.20%032%0.324CS..SBendtrans-68.2-38173.8-166.163.9000111.3T25 W30 I77 A80 R81 M84T25-L50 HydrophobicContact CG2-CD2 4.07Å; W30-L50 HydrophobicContact CZ2-CD2 4.37Å; L50-I77 HydrophobicContact CD1-CG2 4.09Å; L50-A80 HydrophobicContact CD1-CB 4.04Å; L50-R81 HydrophobicContact CD1-CB 4.26Å; L50-R81 HydrophobicContact CD1-CG 3.42Å; L50-R81 VanDerWaalsContact CD1-CG 3.42Å; L50-R81 HydrophobicContact CD2-CG 4.03Å; L50-R81 HydrophobicContact CG-CB 4.43Å; L50-R81 HydrophobicContact CG-CG 3.46Å; L50-R81 VanDerWaalsContact CG-CG 3.46Å; L50-R81 PolarHBondContact O-NE 2.9Å; L50-R81 PolarHBondContact O-NH2 3.46Å; L50-M84 HydrophobicContact CD2-CB 4.07Å; L50-M84 HydrophobicContact CD2-CG 4.14Å
51W90.5Very high82.3Confident91 Ų9153.8 Ų53.835%0.34531%0.314SS..SBendtrans-112.3-22.7-172.4-54.999.1000115.3T25 L66 Y67 R81 V85T25-W51 HydrophobicContact CG2-CZ2 4.27Å; T25-W51 PolarHBondContact O-NE1 3.15Å; W51-L66 HydrophobicContact CB-CD1 4.29Å; W51-L66 WeakPolarHBondContact O-CD1 3.42Å; W51-Y67 VanDerWaalsContact C-CD2 3.44Å; W51-Y67 WeakPolarHBondContact O-CD2 3.3Å; W51-Y67 PolarHBondContact O-N 2.84Å; W51-R81 HydrophobicContact CH2-CG 4.33Å; W51-R81 HydrophobicContact CZ3-CG 4.44Å; W51-V85 HydrophobicContact CH2-CG2 3.87Å; W51-V85 HydrophobicContact CZ2-CG2 3.83Å
52M90.2Very high83.5Confident58 Ų5849.9 Ų49.929%0.28630%0.298SS..EExtended strand (participates in β ladder)trans-144.4157.7-17666.1-175.877.300110.8P28 G49 C64 K65 L66P28-M52 HydrophobicContact CB-CG 3.55Å; P28-M52 HydrophobicContact CB-SD 3.92Å; P28-M52 HydrophobicContact CG-SD 4.45Å; G49-M52 WeakPolarHBondContact CA-O 3.21Å; G49-M52 PolarHBondContact N-O 3.19Å; M52-C64 HydrophobicContact SD-CB 4.09Å; M52-K65 WeakPolarHBondContact CA-O 3.49Å; M52-K65 WeakPolarHBondContact CB-O 3.22Å; M52-L66 HydrophobicContact CB-CD1 4.31Å
53S89.4Confident85Confident32 Ų3252.1 Ų52.122%0.22430%0.304CS..EExtended strand (participates in β ladder)trans-112.8135.6169.4176.10000108.7Y47 C64 K65Y47-S53 CarbonylContact O-C 3.18Å; Y47-S53 WeakPolarHBondContact O-CA 3.44Å; S53-C64 CarbonylContact O-C 3.04Å; S53-C64 WeakPolarHBondContact O-CA 3.25Å; S53-K65 PolarHBondContact N-O 3.45Å; S53-K65 PolarHBondContact O-N 3.12Å
54C90.5Very high86.2Confident4 Ų454.2 Ų54.23%0.02732%0.316CS..EExtended strand (participates in β ladder)trans-122.1135.9-178.9-60.60000110.5Y47 V62 Q63 C64Y47-C54 PolarHBondContact N-O 3.32Å; Y47-C54 PolarHBondContact O-N 3.33Å; C54-V62 HydrophobicContact CB-CG1 4.37Å; C54-Q63 CarbonylContact C-O 3.53Å; C54-Q63 VanDerWaalsContact CA-O 3.3Å; C54-Q63 WeakPolarHBondContact CA-O 3.28Å; C54-C64 HydrophobicContact CB-CB 4.14Å; C54-C64 WeakPolarHBondContact CB-SG 3.32Å; C54-C64 WeakPolarHBondContact SG-CB 3.33Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.43Å
55A88Confident87Confident22 Ų2258.5 Ų58.518%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-112.9121.7173.700000109.4V44 L46 V62 Q63V44-A55 HydrophobicContact CG1-CB 3.85Å; L46-A55 HydrophobicContact CD2-CB 3.73Å; A55-V62 WeakPolarHBondContact O-CA 3.18Å; A55-Q63 PolarHBondContact N-O 3.02Å; A55-Q63 PolarHBondContact O-N 3.32Å
56S86.4Confident87.3Confident34 Ų3463 Ų6324%0.23835%0.351CS..EExtended strand (participates in β ladder)trans-100.6113.4173.4-179.70000109.2V44 G45V44-S56 CarbonylContact C-O 3.56Å; V44-S56 WeakPolarHBondContact CA-O 3.37Å; G45-S56 PolarHBondContact N-O 3.49Å; G45-S56 PolarHBondContact O-N 2.95Å
57Q82.8Confident87.2Confident50 Ų5062.4 Ų62.423%0.23434%0.344CS..EExtended strand (participates in β ladder)trans-92155.8178.9-57.5-177.936.100110.8V44 T59 G60 Q61V44-Q57 HydrophobicContact CG1-CG 4.45Å; V44-Q57 HydrophobicContact CG2-CG 4.1Å; Q57-T59 PolarHBondContact O-N 3.44Å; Q57-G60 PolarHBondContact O-N 3.22Å; Q57-Q61 PolarHBondContact N-O 3.36Å
58S77.8Confident86.4Confident92 Ų9265.9 Ų65.964%0.64337%0.366SS*.THydrogen-bonded Turntrans-58.9-17.5177.3-61.20000114.4A43 G60A43-S58 WeakPolarHBondContact CB-OG 3.36Å; A43-S58 PolarHBondContact O-N 3.43Å; A43-S58 VanDerWaalsContact O-N 3.11Å; A43-S58 PolarHBondContact O-OG 3.47Å; S58-G60 PolarHBondContact O-N 3.02Å
59T80.4Confident85.5Confident99 Ų9967.6 Ų67.661%0.60738%0.382SS*.THydrogen-bonded Turntrans-72.3-1.6173550000113.6Q57 Q61Q57-T59 PolarHBondContact O-N 3.44Å; T59-Q61 PolarHBondContact O-N 2.91Å
60G79.7Confident84.4Confident63 Ų6372.7 Ų72.765%0.64941%0.409SS*.SBendtrans80.22-174.900000113.8Q57 S58Q57-G60 PolarHBondContact O-N 3.22Å; S58-G60 PolarHBondContact O-N 3.02Å
61Q83.9Confident83Confident110 Ų11081 Ų8151%0.51445%0.453SS..  trans-80.7126.3175.8-65.9-171.9-7.700110.8Q57 T59Q57-Q61 PolarHBondContact N-O 3.36Å; T59-Q61 PolarHBondContact O-N 2.91Å
62V86.9Confident81.7Confident92 Ų9281 Ų8156%0.55847%0.472SS*.EExtended strand (participates in β ladder)trans-105.9116.6169.6-179.30000108.4C54 A55C54-V62 HydrophobicContact CB-CG1 4.37Å; A55-V62 WeakPolarHBondContact O-CA 3.18Å
63Q89.4Confident80.7Confident112 Ų11279.4 Ų79.452%0.52346%0.464SS..EExtended strand (participates in β ladder)trans-110117.6176.6-64.6-174-3.400109.2C54 A55C54-Q63 CarbonylContact C-O 3.53Å; C54-Q63 VanDerWaalsContact CA-O 3.3Å; C54-Q63 WeakPolarHBondContact CA-O 3.28Å; A55-Q63 PolarHBondContact N-O 3.02Å; A55-Q63 PolarHBondContact O-N 3.32Å
64C91.1Very high80.2Confident72 Ų7282.3 Ų82.349%0.48648%0.477SS..EExtended strand (participates in β ladder)trans-107.1132.7176.5-64.90000110.5M52 S53 C54M52-C64 HydrophobicContact SD-CB 4.09Å; S53-C64 CarbonylContact O-C 3.04Å; S53-C64 WeakPolarHBondContact O-CA 3.25Å; C54-C64 HydrophobicContact CB-CB 4.14Å; C54-C64 WeakPolarHBondContact CB-SG 3.32Å; C54-C64 WeakPolarHBondContact SG-CB 3.33Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.43Å
65K90.2Very high79.6Confident130 Ų13084.3 Ų84.357%0.56550%0.499SS*.EExtended strand (participates in β ladder)trans-121127.4176.5-168.9-179.1175.8-171.20109.6M52 S53 D68M52-K65 WeakPolarHBondContact CA-O 3.49Å; M52-K65 WeakPolarHBondContact CB-O 3.22Å; S53-K65 PolarHBondContact N-O 3.45Å; S53-K65 PolarHBondContact O-N 3.12Å; K65-D68 WeakPolarHBondContact CE-OD2 3.4Å; K65-D68 IonicContact NZ-OD2 2.68Å; K65-D68 PolarHBondContact NZ-OD2 3.1Å
66L89.5Confident79.2Confident113 Ų11386.9 Ų86.959%0.59251%0.507SS*.EExtended strand (participates in β ladder)trans-70145.6171.4-161.377.5000109.2W51 M52 D68W51-L66 HydrophobicContact CB-CD1 4.29Å; W51-L66 WeakPolarHBondContact O-CD1 3.42Å; M52-L66 HydrophobicContact CB-CD1 4.31Å; L66-D68 PolarHBondContact O-N 3.46Å
67Y84.9Confident79Confident52 Ų5285.9 Ų85.920%0.20450%0.499CS..  trans-66.5117.5177.2-65.7-75.9000110.9W51 S69 L73W51-Y67 VanDerWaalsContact C-CD2 3.44Å; W51-Y67 WeakPolarHBondContact O-CD2 3.3Å; W51-Y67 PolarHBondContact O-N 2.84Å; Y67-S69 PolarHBondContact O-N 2.7Å; Y67-L73 HydrophobicContact CD1-CD1 3.6Å; Y67-L73 HydrophobicContact CD2-CD1 4.31Å; Y67-L73 HydrophobicContact CE1-CD1 3.65Å; Y67-L73 HydrophobicContact CE2-CD1 4.35Å; Y67-L73 HydrophobicContact CG-CD1 3.94Å
68D73.1Confident79.2Confident125 Ų12588.7 Ų88.767%0.66851%0.511SS*.SBendtrans-66-21.7-172.4-65.5-41.6000113.9K65 L66K65-D68 WeakPolarHBondContact CE-OD2 3.4Å; K65-D68 IonicContact NZ-OD2 2.68Å; K65-D68 PolarHBondContact NZ-OD2 3.1Å; L66-D68 PolarHBondContact O-N 3.46Å
69S71Confident79.7Confident68 Ų6886.6 Ų86.648%0.47650%0.497SS..  trans-149126.2-179.2-70.70000111.3Y67 L71 A72Y67-S69 PolarHBondContact O-N 2.7Å; S69-L71 PolarHBondContact O-N 2.91Å; S69-A72 PolarHBondContact O-N 2.92Å
70L66.2Low80.3Confident108 Ų10881.9 Ų81.957%0.56547%0.468SS*.G310 helixtrans-60.5-29.4172.4-63-177.7000112L73L70-L73 PolarHBondContact O-N 2.79Å
71L60.5Low80.9Confident175 Ų17579.8 Ų79.892%0.91644%0.44SS*.G310 helixtrans-78.9-20.3-175.6-159.667.4000113.8S69 L73S69-L71 PolarHBondContact O-N 2.91Å; L71-L73 VanDerWaalsContact C-N 3.32Å
72A64.2Low81.3Confident91 Ų9177.2 Ų77.275%0.75244%0.438SS*.G310 helixtrans-90-1.9176.900000112.5S69S69-A72 PolarHBondContact O-N 2.92Å
73L69.7Low81.7Confident23 Ų2375.6 Ų75.612%0.1243%0.426CS..SBendtrans-93.2140.4-175.6-160.269.5000110.5Y67 L70 L71 G75 I77Y67-L73 HydrophobicContact CD1-CD1 3.6Å; Y67-L73 HydrophobicContact CD2-CD1 4.31Å; Y67-L73 HydrophobicContact CE1-CD1 3.65Å; Y67-L73 HydrophobicContact CE2-CD1 4.35Å; Y67-L73 HydrophobicContact CG-CD1 3.94Å; L70-L73 PolarHBondContact O-N 2.79Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L73-G75 PolarHBondContact O-N 3.16Å; L73-I77 HydrophobicContact CD1-CD1 3.96Å; L73-I77 HydrophobicContact CD2-CB 3.85Å; L73-I77 HydrophobicContact CD2-CG2 3.53Å; L73-I77 HydrophobicContact CG-CB 3.98Å; L73-I77 HydrophobicContact CG-CD1 4.08Å; L73-I77 HydrophobicContact CG-CG2 4.13Å
74D77.5Confident82Confident94 Ų9470.2 Ų70.250%0.50340%0.401SS..  trans-51.5132178.1-165-20.8000111H76 I77 Q78D74-H76 PolarHBondContact O-N 3.45Å; D74-H76 IonicContact OD1-CD2 3.83Å; D74-H76 PolarHBondContact OD1-CD2 2.92Å; D74-H76 VanDerWaalsContact OD1-CD2 3.26Å; D74-H76 IonicContact OD1-CG 3.73Å; D74-H76 PolarHBondContact OD1-N 3.25Å; D74-H76 IonicContact OD2-CD2 3.26Å; D74-I77 HydrophobicContact CB-CD1 4.28Å; D74-I77 HydrophobicContact CB-CG1 4.27Å; D74-I77 PolarHBondContact O-N 2.98Å; D74-Q78 PolarHBondContact O-N 3.08Å
75G79.2Confident82.2Confident46 Ų4669.6 Ų69.647%0.47440%0.395SS..Hα-helixtrans-57.5-26.2-174.500000112.6L73 Q78 S79L73-G75 PolarHBondContact O-N 3.16Å; G75-Q78 PolarHBondContact O-N 3.24Å; G75-S79 PolarHBondContact O-N 2.94Å
76H78.7Confident82.5Confident76 Ų7666.6 Ų66.635%0.35239%0.387SS..Hα-helixtrans-68.2-33.9174.1-59-50.3000114.2D74 Q78 S79 A80 W139 L143D74-H76 PolarHBondContact O-N 3.45Å; D74-H76 IonicContact OD1-CD2 3.83Å; D74-H76 PolarHBondContact OD1-CD2 2.92Å; D74-H76 VanDerWaalsContact OD1-CD2 3.26Å; D74-H76 IonicContact OD1-CG 3.73Å; D74-H76 PolarHBondContact OD1-N 3.25Å; D74-H76 IonicContact OD2-CD2 3.26Å; H76-Q78 VanDerWaalsContact C-N 3.32Å; H76-S79 PolarHBondContact O-OG 3.46Å; H76-A80 PolarHBondContact O-N 3.36Å; H76-W139 AromaticContact ND1-NE1 3.72Å; H76-L143 HydrophobicContact CB-CD1 3.33Å; H76-L143 VanDerWaalsContact CG-CD1 3.49Å
77I82.3Confident82.9Confident13 Ų1361.2 Ų61.27%0.06736%0.359CS..Hα-helixtrans-73.3-34175.6-55.4178.2000109.3L50 L73 D74 A80 R81 Y140L50-I77 HydrophobicContact CD1-CG2 4.09Å; L73-I77 HydrophobicContact CD1-CD1 3.96Å; L73-I77 HydrophobicContact CD2-CB 3.85Å; L73-I77 HydrophobicContact CD2-CG2 3.53Å; L73-I77 HydrophobicContact CG-CB 3.98Å; L73-I77 HydrophobicContact CG-CD1 4.08Å; L73-I77 HydrophobicContact CG-CG2 4.13Å; D74-I77 HydrophobicContact CB-CD1 4.28Å; D74-I77 HydrophobicContact CB-CG1 4.27Å; D74-I77 PolarHBondContact O-N 2.98Å; I77-A80 PolarHBondContact O-N 3.03Å; I77-R81 WeakPolarHBondContact O-CB 3.39Å; I77-R81 WeakPolarHBondContact O-CG 3.42Å; I77-R81 PolarHBondContact O-N 2.91Å; I77-Y140 HydrophobicContact CG1-CE2 4.19Å
78Q87.4Confident83.5Confident108 Ų10860.3 Ų60.351%0.50536%0.359SS..Hα-helixtrans-66.2-39.2176-167.2175.210.900112.6D74 G75 H76 R81 A82D74-Q78 PolarHBondContact O-N 3.08Å; G75-Q78 PolarHBondContact O-N 3.24Å; H76-Q78 VanDerWaalsContact C-N 3.32Å; Q78-R81 WeakPolarHBondContact O-CB 3.46Å; Q78-R81 PolarHBondContact O-N 3.4Å; Q78-A82 PolarHBondContact O-N 2.95Å
79S88.3Confident84.6Confident48 Ų4859.5 Ų59.534%0.33635%0.354SS..Hα-helixtrans-67.1-42.2175.366.50000111.9G75 H76 R81 A82 L83G75-S79 PolarHBondContact O-N 2.94Å; H76-S79 PolarHBondContact O-OG 3.46Å; S79-R81 VanDerWaalsContact C-N 3.31Å; S79-R81 PolarHBondContact O-N 2.86Å; S79-A82 PolarHBondContact O-N 2.87Å; S79-L83 WeakPolarHBondContact O-CG 3.37Å; S79-L83 PolarHBondContact O-N 3.26Å
80A91.6Very high85.9Confident0 Ų058 Ų580%034%0.34CS..Hα-helixtrans-59.8-41.9172.900000111.4L50 H76 I77 A82 L83 M84 Y140L50-A80 HydrophobicContact CD1-CB 4.04Å; H76-A80 PolarHBondContact O-N 3.36Å; I77-A80 PolarHBondContact O-N 3.03Å; A80-A82 PolarHBondContact O-N 3.3Å; A80-L83 PolarHBondContact O-N 3.49Å; A80-M84 WeakPolarHBondContact O-CB 3.37Å; A80-M84 VanDerWaalsContact O-CG 3.26Å; A80-M84 WeakPolarHBondContact O-CG 3.38Å; A80-M84 PolarHBondContact O-N 2.91Å; A80-Y140 HydrophobicContact CB-CD2 4.35Å
81R92.3Very high87.4Confident19 Ų1952.9 Ų52.97%0.07231%0.313CS..Hα-helixtrans-56.5-52.2174.5-82175.7-176.5-174.13.4111.8L50 W51 I77 Q78 S79 L83 M84 V85L50-R81 HydrophobicContact CD1-CB 4.26Å; L50-R81 HydrophobicContact CD1-CG 3.42Å; L50-R81 VanDerWaalsContact CD1-CG 3.42Å; L50-R81 HydrophobicContact CD2-CG 4.03Å; L50-R81 HydrophobicContact CG-CB 4.43Å; L50-R81 HydrophobicContact CG-CG 3.46Å; L50-R81 VanDerWaalsContact CG-CG 3.46Å; L50-R81 PolarHBondContact O-NE 2.9Å; L50-R81 PolarHBondContact O-NH2 3.46Å; W51-R81 HydrophobicContact CH2-CG 4.33Å; W51-R81 HydrophobicContact CZ3-CG 4.44Å; I77-R81 WeakPolarHBondContact O-CB 3.39Å; I77-R81 WeakPolarHBondContact O-CG 3.42Å; I77-R81 PolarHBondContact O-N 2.91Å; Q78-R81 WeakPolarHBondContact O-CB 3.46Å; Q78-R81 PolarHBondContact O-N 3.4Å; S79-R81 VanDerWaalsContact C-N 3.31Å; S79-R81 PolarHBondContact O-N 2.86Å; R81-L83 PolarHBondContact O-N 3.36Å; R81-M84 PolarHBondContact O-N 3.46Å; R81-V85 WeakPolarHBondContact O-CB 3.46Å; R81-V85 VanDerWaalsContact O-CG2 3.29Å; R81-V85 WeakPolarHBondContact O-CG2 3.36Å; R81-V85 PolarHBondContact O-N 3.32Å
82A92.6Very high89.1Confident57 Ų5750.4 Ų50.447%0.47130%0.296SS..Hα-helixtrans-60.1-47.1-178.600000111.3Q78 S79 A80 M84 V85 V86Q78-A82 PolarHBondContact O-N 2.95Å; S79-A82 PolarHBondContact O-N 2.87Å; A80-A82 PolarHBondContact O-N 3.3Å; A82-M84 PolarHBondContact O-N 3.3Å; A82-V85 PolarHBondContact O-N 2.94Å; A82-V86 WeakPolarHBondContact O-CB 3.49Å; A82-V86 VanDerWaalsContact O-CG2 3.23Å; A82-V86 WeakPolarHBondContact O-CG2 3.37Å; A82-V86 PolarHBondContact O-N 3.4Å
83L95.3Very high90.7Very high57 Ų5749.4 Ų49.430%0.29828%0.28SS..Hα-helixtrans-62.9-43.5179.8-73.7173.3000112.7S79 A80 R81 V86 A87 A136S79-L83 WeakPolarHBondContact O-CG 3.37Å; S79-L83 PolarHBondContact O-N 3.26Å; A80-L83 PolarHBondContact O-N 3.49Å; R81-L83 PolarHBondContact O-N 3.36Å; L83-V86 PolarHBondContact O-N 3.39Å; L83-A87 WeakPolarHBondContact O-CB 3.46Å; L83-A87 PolarHBondContact O-N 2.99Å; L83-A136 HydrophobicContact CB-CB 3.71Å; L83-A136 HydrophobicContact CD1-CB 3.97Å
84M95.9Very high92Very high0 Ų048.3 Ų48.30%027%0.274CS..Hα-helixtrans-66.4-42.4178.5-67.7-59.9-66.300111.8I21 T25 W30 L50 A80 R81 A82 A87 V88 T133 A136 V137I21-M84 HydrophobicContact CG2-CE 4.03Å; T25-M84 HydrophobicContact CG2-CB 4.14Å; T25-M84 WeakPolarHBondContact OG1-CE 3.44Å; W30-M84 HydrophobicContact CH2-CE 4.26Å; W30-M84 HydrophobicContact CH2-CG 3.76Å; W30-M84 HydrophobicContact CH2-SD 3.86Å; W30-M84 HydrophobicContact CZ2-CE 4.05Å; W30-M84 HydrophobicContact CZ2-CG 4.03Å; W30-M84 HydrophobicContact CZ2-SD 4.23Å; L50-M84 HydrophobicContact CD2-CB 4.07Å; L50-M84 HydrophobicContact CD2-CG 4.14Å; A80-M84 WeakPolarHBondContact O-CB 3.37Å; A80-M84 VanDerWaalsContact O-CG 3.26Å; A80-M84 WeakPolarHBondContact O-CG 3.38Å; A80-M84 PolarHBondContact O-N 2.91Å; R81-M84 PolarHBondContact O-N 3.46Å; A82-M84 PolarHBondContact O-N 3.3Å; M84-A87 PolarHBondContact O-N 2.84Å; M84-V88 WeakPolarHBondContact O-CG2 3.18Å; M84-V88 PolarHBondContact O-N 3.19Å; M84-T133 HydrophobicContact CE-CG2 4.01Å; M84-T133 HydrophobicContact SD-CG2 3.94Å; M84-A136 HydrophobicContact CG-CB 4.05Å; M84-A136 HydrophobicContact SD-CB 3.83Å; M84-V137 HydrophobicContact SD-CG2 4.34Å
85V95.9Very high92.8Very high58 Ų5844.9 Ų44.935%0.35226%0.255SS..Hα-helixtrans-63.1-44.8175.81720000111W51 R81 A82 A87 V88 L89W51-V85 HydrophobicContact CH2-CG2 3.87Å; W51-V85 HydrophobicContact CZ2-CG2 3.83Å; R81-V85 WeakPolarHBondContact O-CB 3.46Å; R81-V85 VanDerWaalsContact O-CG2 3.29Å; R81-V85 WeakPolarHBondContact O-CG2 3.36Å; R81-V85 PolarHBondContact O-N 3.32Å; A82-V85 PolarHBondContact O-N 2.94Å; V85-A87 VanDerWaalsContact C-N 3.32Å; V85-A87 PolarHBondContact O-N 2.7Å; V85-V88 PolarHBondContact O-N 2.73Å; V85-L89 HydrophobicContact CG1-CD1 4.22Å; V85-L89 WeakPolarHBondContact O-CG 3.48Å; V85-L89 PolarHBondContact O-N 3.5Å
86V96.7Very high93.6Very high67 Ų6746.2 Ų46.241%0.40625%0.254SS..Hα-helixtrans-60.3-43.4175.4169.90000110.6A82 L83 V88 L89 L90A82-V86 WeakPolarHBondContact O-CB 3.49Å; A82-V86 VanDerWaalsContact O-CG2 3.23Å; A82-V86 WeakPolarHBondContact O-CG2 3.37Å; A82-V86 PolarHBondContact O-N 3.4Å; L83-V86 PolarHBondContact O-N 3.39Å; V86-V88 PolarHBondContact O-N 2.81Å; V86-L89 PolarHBondContact O-N 3.41Å; V86-L90 HydrophobicContact CG1-CD1 3.73Å; V86-L90 HydrophobicContact CG1-CG 4.09Å; V86-L90 WeakPolarHBondContact O-CB 3.38Å; V86-L90 VanDerWaalsContact O-CG 3.26Å; V86-L90 WeakPolarHBondContact O-CG 3.47Å; V86-L90 PolarHBondContact O-N 3.38Å
87A97.1Very high94.3Very high0 Ų045.1 Ų45.10%025%0.251CS..Hα-helixtrans-60.9-41.9176.600000112.6I21 L83 M84 V85 G91 A129 C132 T133I21-A87 HydrophobicContact CG2-CB 4.17Å; L83-A87 WeakPolarHBondContact O-CB 3.46Å; L83-A87 PolarHBondContact O-N 2.99Å; M84-A87 PolarHBondContact O-N 2.84Å; V85-A87 VanDerWaalsContact C-N 3.32Å; V85-A87 PolarHBondContact O-N 2.7Å; A87-G91 PolarHBondContact O-N 3.22Å; A87-A129 HydrophobicContact CB-CB 4.49Å; A87-A129 WeakPolarHBondContact CB-O 3.15Å; A87-A129 WeakPolarHBondContact O-CB 3.26Å; A87-C132 HydrophobicContact CB-CB 4.04Å; A87-T133 WeakPolarHBondContact CB-OG1 3.32Å
88V97.5Very high94.8Very high34 Ų3444.5 Ų44.521%0.20625%0.248CC..Hα-helixtrans-62.1-45.9175.5171.80000111.1W18 I21 I22 M84 V85 V86 G91 F92W18-V88 PolarHBondContact NE1-O 2.9Å; I21-V88 HydrophobicContact CG2-CG2 3.84Å; I22-V88 HydrophobicContact CG1-CG1 4.1Å; I22-V88 HydrophobicContact CG1-CG2 4.11Å; M84-V88 WeakPolarHBondContact O-CG2 3.18Å; M84-V88 PolarHBondContact O-N 3.19Å; V85-V88 PolarHBondContact O-N 2.73Å; V86-V88 PolarHBondContact O-N 2.81Å; V88-G91 PolarHBondContact O-N 3.21Å; V88-F92 PolarHBondContact O-N 3.41Å
89L97.6Very high95Very high107 Ų10742 Ų4256%0.5624%0.24SC*.Hα-helixtrans-65.2-45.8178.8-67.8176.2000112.1V85 V86 G91 F92 V93V85-L89 HydrophobicContact CG1-CD1 4.22Å; V85-L89 WeakPolarHBondContact O-CG 3.48Å; V85-L89 PolarHBondContact O-N 3.5Å; V86-L89 PolarHBondContact O-N 3.41Å; L89-G91 VanDerWaalsContact C-N 3.31Å; L89-G91 PolarHBondContact O-N 3.17Å; L89-F92 WeakPolarHBondContact O-CB 3.44Å; L89-F92 PolarHBondContact O-N 3.46Å; L89-V93 WeakPolarHBondContact O-CG2 3.46Å; L89-V93 PolarHBondContact O-N 3.47Å; L89-V93 VanDerWaalsContact O-N 3.09Å
90L97.2Very high95.1Very high37 Ų3742.3 Ų42.319%0.19424%0.239CC..Hα-helixtrans-59.8-43.2175.9-72.7175.7000111.1V86 F92 V93 A94 L125 L128 A129V86-L90 HydrophobicContact CG1-CD1 3.73Å; V86-L90 HydrophobicContact CG1-CG 4.09Å; V86-L90 WeakPolarHBondContact O-CB 3.38Å; V86-L90 VanDerWaalsContact O-CG 3.26Å; V86-L90 WeakPolarHBondContact O-CG 3.47Å; V86-L90 PolarHBondContact O-N 3.38Å; L90-F92 VanDerWaalsContact C-N 3.35Å; L90-F92 PolarHBondContact O-N 2.84Å; L90-V93 PolarHBondContact O-N 3.41Å; L90-A94 VanDerWaalsContact O-CB 3.26Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 2.92Å; L90-L125 HydrophobicContact CD2-CD2 4.19Å; L90-L128 HydrophobicContact CD1-CD2 3.81Å; L90-L128 HydrophobicContact CD1-CG 3.83Å; L90-L128 HydrophobicContact CD2-CD2 4.45Å; L90-A129 HydrophobicContact CB-CB 4Å
91G97.2Very high94.9Very high0 Ų042.4 Ų42.40%024%0.241CC..Hα-helixtrans-65.8-34.1176.900000113.3W18 A87 V88 L89 A94 M95W18-G91 VanDerWaalsContact CD1-CA 3.42Å; A87-G91 PolarHBondContact O-N 3.22Å; V88-G91 PolarHBondContact O-N 3.21Å; L89-G91 VanDerWaalsContact C-N 3.31Å; L89-G91 PolarHBondContact O-N 3.17Å; G91-A94 PolarHBondContact O-N 2.87Å; G91-M95 WeakPolarHBondContact O-CB 3.45Å; G91-M95 VanDerWaalsContact O-CG 3.24Å; G91-M95 WeakPolarHBondContact O-CG 3.41Å; G91-M95 PolarHBondContact O-N 3.31Å
92F97.2Very high94.6Very high124 Ų12441.9 Ų41.954%0.54424%0.239SC..Hα-helixtrans-64.1-45.9173-179.3-103.5000111.6W18 V88 L89 L90 A94 M95 V96W18-F92 HydrophobicContact CH2-CD2 4.05Å; W18-F92 HydrophobicContact CZ2-CB 3.79Å; W18-F92 HydrophobicContact CZ2-CD2 4.04Å; W18-F92 HydrophobicContact CZ2-CG 4.43Å; V88-F92 PolarHBondContact O-N 3.41Å; L89-F92 WeakPolarHBondContact O-CB 3.44Å; L89-F92 PolarHBondContact O-N 3.46Å; L90-F92 VanDerWaalsContact C-N 3.35Å; L90-F92 PolarHBondContact O-N 2.84Å; F92-A94 VanDerWaalsContact C-N 3.35Å; F92-M95 WeakPolarHBondContact O-CB 3.32Å; F92-M95 PolarHBondContact O-N 2.96Å; F92-V96 HydrophobicContact CE1-CG2 4.41Å; F92-V96 HydrophobicContact CZ-CG2 4.38Å; F92-V96 WeakPolarHBondContact O-CG2 3.24Å; F92-V96 PolarHBondContact O-N 2.81Å
93V97.2Very high94Very high69 Ų6944.7 Ų44.742%0.41824%0.24SC..Hα-helixtrans-63.6-43.6175.71790000110.4L89 L90 M95 V96 L97 L125L89-V93 WeakPolarHBondContact O-CG2 3.46Å; L89-V93 PolarHBondContact O-N 3.47Å; L89-V93 VanDerWaalsContact O-N 3.09Å; L90-V93 PolarHBondContact O-N 3.41Å; V93-M95 VanDerWaalsContact C-N 3.33Å; V93-M95 PolarHBondContact O-N 3.49Å; V93-V96 PolarHBondContact O-N 2.93Å; V93-L97 HydrophobicContact CG1-CD1 4.19Å; V93-L97 HydrophobicContact CG1-CG 4.32Å; V93-L97 WeakPolarHBondContact O-CG 3.33Å; V93-L97 PolarHBondContact O-N 3.35Å; V93-L125 HydrophobicContact CB-CD1 4.26Å; V93-L125 HydrophobicContact CG1-CD1 3.7Å
94A96.6Very high93.4Very high0 Ų046.8 Ų46.80%026%0.259CS..Hα-helixtrans-58.6-42.4176.700000112.4L90 G91 F92 L97 S98 G122 L125 F126L90-A94 VanDerWaalsContact O-CB 3.26Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 2.92Å; G91-A94 PolarHBondContact O-N 2.87Å; F92-A94 VanDerWaalsContact C-N 3.35Å; A94-L97 PolarHBondContact O-N 3.14Å; A94-S98 VanDerWaalsContact O-CB 3.23Å; A94-S98 WeakPolarHBondContact O-CB 3.47Å; A94-S98 PolarHBondContact O-N 2.9Å; A94-S98 PolarHBondContact O-OG 3.45Å; A94-G122 WeakPolarHBondContact CB-O 3.26Å; A94-L125 HydrophobicContact CB-CB 3.59Å; A94-F126 HydrophobicContact CB-CB 4.45Å; A94-F126 HydrophobicContact CB-CD1 3.81Å; A94-F126 HydrophobicContact CB-CD2 3.63Å; A94-F126 HydrophobicContact CB-CE1 3.86Å; A94-F126 HydrophobicContact CB-CE2 3.71Å; A94-F126 HydrophobicContact CB-CG 3.68Å; A94-F126 HydrophobicContact CB-CZ 3.8Å
95M95.5Very high92.8Very high22 Ų2248.2 Ų48.211%0.10827%0.268CS..Hα-helixtrans-57.1-51.7174.9-83.5-65-56.200111.2Y11 L15 W18 G91 F92 V93 S98 V99 F126Y11-M95 HydrophobicContact CE2-CE 3.78Å; Y11-M95 HydrophobicContact CE2-SD 4.11Å; Y11-M95 WeakPolarHBondContact OH-CE 3.39Å; L15-M95 HydrophobicContact CB-CE 4.36Å; L15-M95 HydrophobicContact CB-SD 3.94Å; L15-M95 HydrophobicContact CD1-CE 3.34Å; L15-M95 HydrophobicContact CD1-SD 3.63Å; L15-M95 HydrophobicContact CG-CE 4.32Å; L15-M95 HydrophobicContact CG-SD 4.38Å; W18-M95 HydrophobicContact CD2-CG 4.22Å; W18-M95 HydrophobicContact CE3-CG 4.13Å; G91-M95 WeakPolarHBondContact O-CB 3.45Å; G91-M95 VanDerWaalsContact O-CG 3.24Å; G91-M95 WeakPolarHBondContact O-CG 3.41Å; G91-M95 PolarHBondContact O-N 3.31Å; F92-M95 WeakPolarHBondContact O-CB 3.32Å; F92-M95 PolarHBondContact O-N 2.96Å; V93-M95 VanDerWaalsContact C-N 3.33Å; V93-M95 PolarHBondContact O-N 3.49Å; M95-S98 PolarHBondContact O-N 3.03Å; M95-V99 WeakPolarHBondContact O-CG2 3.44Å; M95-V99 PolarHBondContact O-N 2.9Å; M95-F126 HydrophobicContact CB-CZ 4.25Å; M95-F126 HydrophobicContact CG-CE1 4.09Å; M95-F126 HydrophobicContact CG-CZ 3.62Å; M95-F126 HydrophobicContact SD-CE1 4.27Å; M95-F126 HydrophobicContact SD-CZ 3.55Å; M95-F126 VanDerWaalsContact SD-CZ 3.55Å
96V95Very high92.1Very high74 Ų7456.3 Ų56.345%0.44829%0.292SS..Hα-helixtrans-62.5-48-179.5175.30000111F92 V93 S98 V99 V100F92-V96 HydrophobicContact CE1-CG2 4.41Å; F92-V96 HydrophobicContact CZ-CG2 4.38Å; F92-V96 WeakPolarHBondContact O-CG2 3.24Å; F92-V96 PolarHBondContact O-N 2.81Å; V93-V96 PolarHBondContact O-N 2.93Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 2.97Å; V96-V99 PolarHBondContact O-N 3.26Å; V96-V100 WeakPolarHBondContact O-CG2 3.33Å; V96-V100 PolarHBondContact O-N 3.27Å; V96-V100 VanDerWaalsContact O-N 3.1Å
97L93.6Very high91.2Very high53 Ų5357.4 Ų57.428%0.27730%0.299SS..Hα-helixtrans-61.8-41178.3-66.9-174.8000111.8V93 A94 V100 G101 V118 A121 L125V93-L97 HydrophobicContact CG1-CD1 4.19Å; V93-L97 HydrophobicContact CG1-CG 4.32Å; V93-L97 WeakPolarHBondContact O-CG 3.33Å; V93-L97 PolarHBondContact O-N 3.35Å; A94-L97 PolarHBondContact O-N 3.14Å; L97-V100 PolarHBondContact O-N 2.97Å; L97-G101 PolarHBondContact O-N 3.45Å; L97-V118 HydrophobicContact CB-CG1 4.26Å; L97-V118 HydrophobicContact CD2-CG1 4.25Å; L97-V118 VanDerWaalsContact O-CG1 3.31Å; L97-V118 WeakPolarHBondContact O-CG1 3.46Å; L97-A121 HydrophobicContact CD1-CB 4.27Å; L97-L125 HydrophobicContact CD1-CD1 3.68Å
98S92.5Very high89.9Confident1 Ų159.4 Ų59.41%0.00732%0.319CS..Hα-helixtrans-63.8-44.6179-60.20000111.3A94 M95 V96 V100 G101 M102 F126A94-S98 VanDerWaalsContact O-CB 3.23Å; A94-S98 WeakPolarHBondContact O-CB 3.47Å; A94-S98 PolarHBondContact O-N 2.9Å; A94-S98 PolarHBondContact O-OG 3.45Å; M95-S98 PolarHBondContact O-N 3.03Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 2.97Å; S98-V100 VanDerWaalsContact C-N 3.33Å; S98-V100 PolarHBondContact O-N 3.39Å; S98-G101 PolarHBondContact O-N 2.95Å; S98-M102 WeakPolarHBondContact O-CG 3.34Å; S98-M102 PolarHBondContact O-N 3.42Å; S98-F126 WeakPolarHBondContact OG-CE2 3.5Å
99V92.1Very high88.9Confident55 Ų5563 Ų6333%0.33334%0.337SS..Hα-helixtrans-58.4-45.4175.5173.30000111.1Y11 M95 V96 T105Y11-V99 HydrophobicContact CE2-CG2 3.62Å; Y11-V99 WeakPolarHBondContact OH-CG2 3.3Å; M95-V99 WeakPolarHBondContact O-CG2 3.44Å; M95-V99 PolarHBondContact O-N 2.9Å; V96-V99 PolarHBondContact O-N 3.26Å; V99-T105 WeakPolarHBondContact O-CB 3.47Å; V99-T105 WeakPolarHBondContact O-CG2 3.22Å; V99-T105 PolarHBondContact O-OG1 3.21Å
100V90.9Very high87.9Confident54 Ų5462.7 Ų62.733%0.32734%0.344SS..Hα-helixtrans-67.4-37.1179176.40000111.9V96 L97 S98 V107 V118V96-V100 WeakPolarHBondContact O-CG2 3.33Å; V96-V100 PolarHBondContact O-N 3.27Å; V96-V100 VanDerWaalsContact O-N 3.1Å; L97-V100 PolarHBondContact O-N 2.97Å; S98-V100 VanDerWaalsContact C-N 3.33Å; S98-V100 PolarHBondContact O-N 3.39Å; V100-V107 HydrophobicContact CG1-CG1 4.33Å; V100-V118 HydrophobicContact CB-CG1 4.31Å; V100-V118 HydrophobicContact CG1-CG1 4.26Å
101G87.4Confident87.2Confident3 Ų365.6 Ų65.63%0.03136%0.36CS..Hα-helixtrans-77.9-13.9-179.100000115.2Q7 L97 S98 K115Q7-G101 PolarHBondContact NE2-O 3.5Å; L97-G101 PolarHBondContact O-N 3.45Å; S98-G101 PolarHBondContact O-N 2.95Å; G101-K115 WeakPolarHBondContact O-CG 3.35Å
102M86.3Confident86.5Confident8 Ų870 Ų704%0.03939%0.389CS..SBendtrans-71.6140.5-178.3-79.3170.893.800113.3Q7 L8 Y11 S98 C104 T105 K115Q7-M102 HydrophobicContact CG-CE 4.47Å; Q7-M102 HydrophobicContact CG-CG 3.99Å; L8-M102 HydrophobicContact CB-CE 4.36Å; L8-M102 HydrophobicContact CD1-CE 3.74Å; Y11-M102 HydrophobicContact CD1-CE 4.26Å; Y11-M102 HydrophobicContact CD1-SD 4.23Å; Y11-M102 HydrophobicContact CD2-SD 3.73Å; Y11-M102 HydrophobicContact CE2-SD 4.32Å; Y11-M102 HydrophobicContact CG-CE 3.92Å; Y11-M102 HydrophobicContact CG-SD 3.66Å; S98-M102 WeakPolarHBondContact O-CG 3.34Å; S98-M102 PolarHBondContact O-N 3.42Å; M102-C104 PolarHBondContact O-N 3.43Å; M102-C104 VanDerWaalsContact O-N 3.14Å; M102-T105 PolarHBondContact O-N 3.35Å; M102-K115 WeakPolarHBondContact O-CE 3.47Å; M102-K115 PolarHBondContact O-NZ 3.4Å
103K80.2Confident85.8Confident115 Ų11568.1 Ų68.150%0.538%0.383SS..THydrogen-bonded Turntrans-57.8-29.8-180-69.1179.5-178.41730113.4A2 T105 K115A2-K103 PolarHBondContact O-NZ 3.26Å; K103-T105 VanDerWaalsContact C-N 3.27Å; K103-T105 PolarHBondContact O-N 2.9Å; K103-K115 PolarHBondContact O-NZ 3.49Å
104C82.3Confident85.3Confident101 Ų10167.1 Ų67.168%0.68238%0.382SS*.THydrogen-bonded Turntrans-71.9-16.1178.655.30000114.4M102M102-C104 PolarHBondContact O-N 3.43Å; M102-C104 VanDerWaalsContact O-N 3.14Å
105T83.5Confident84.8Confident30 Ų3068.2 Ų68.218%0.18439%0.387CS..  trans-88.9127.9-177.4-57.80000110.3V99 M102 K103 V107 K115V99-T105 WeakPolarHBondContact O-CB 3.47Å; V99-T105 WeakPolarHBondContact O-CG2 3.22Å; V99-T105 PolarHBondContact O-OG1 3.21Å; M102-T105 PolarHBondContact O-N 3.35Å; K103-T105 VanDerWaalsContact C-N 3.27Å; K103-T105 PolarHBondContact O-N 2.9Å; T105-V107 VanDerWaalsContact C-N 3.26Å; T105-V107 HydrophobicContact CG2-CB 3.97Å; T105-V107 HydrophobicContact CG2-CG2 3.92Å; T105-V107 PolarHBondContact O-N 3.29Å; T105-K115 PolarHBondContact O-NZ 3.45Å
106R80.8Confident84.4Confident229 Ų22967.8 Ų67.886%0.86439%0.388SS*.  trans-74.2-12.8-178.6-71.6-79.3179.3117.5-1.6114.1G108R106-G108 PolarHBondContact O-N 2.99Å
107V76.8Confident84.1Confident90 Ų9072.8 Ų72.855%0.54540%0.399SS..THydrogen-bonded Turntrans-68.1127.1-179.9-176.60000109.8V100 T105V100-V107 HydrophobicContact CG1-CG1 4.33Å; T105-V107 VanDerWaalsContact C-N 3.26Å; T105-V107 HydrophobicContact CG2-CB 3.97Å; T105-V107 HydrophobicContact CG2-CG2 3.92Å; T105-V107 PolarHBondContact O-N 3.29Å
108G70.5Confident84Confident42 Ų4272.4 Ų72.443%0.43340%0.399SS..THydrogen-bonded Turntrans77.621.217300000115.9R106 S110 N111R106-G108 PolarHBondContact O-N 2.99Å; G108-S110 PolarHBondContact O-N 2.93Å; G108-N111 PolarHBondContact O-N 3Å
109D75.8Confident83.9Confident110 Ų11072.4 Ų72.459%0.58840%0.399SS*.THydrogen-bonded Turntrans-64.8-9.3-179.3-145.739.1000114.1N111 K115D109-N111 VanDerWaalsContact C-N 3.26Å; D109-N111 PolarHBondContact O-N 3Å; D109-K115 IonicContact OD1-NZ 3.66Å
110S77Confident83.9Confident100 Ų10072.3 Ų72.370%0.69940%0.396SS*.THydrogen-bonded Turntrans-64.5-26.6174.254.40000113.6G108G108-S110 PolarHBondContact O-N 2.93Å
111N82.7Confident84Confident97 Ų9771.7 Ų71.752%0.51940%0.396SS..  trans-137.790-174.9-72.8-48.1000111.6G108 D109 I113 A114 K115G108-N111 PolarHBondContact O-N 3Å; D109-N111 VanDerWaalsContact C-N 3.26Å; D109-N111 PolarHBondContact O-N 3Å; N111-I113 PolarHBondContact O-N 3.41Å; N111-A114 HydrophobicContact CB-CB 3.78Å; N111-A114 PolarHBondContact O-N 3.06Å; N111-A114 VanDerWaalsContact O-N 3.12Å; N111-K115 PolarHBondContact O-N 3.35Å; N111-K115 VanDerWaalsContact O-N 3.09Å
112P82.4Confident84.4Confident94 Ų9471.6 Ų71.661%0.6140%0.395SS*.Hα-helixtrans-61.2-31.2-17823.8-33.9000113K115 G116P112-K115 PolarHBondContact O-N 3.01Å; P112-G116 PolarHBondContact O-N 3.48Å
113I83.4Confident84.8Confident83 Ų8371.2 Ų71.243%0.42639%0.393SS..Hα-helixtrans-66.2-45.7176.4-59170.8000110.8N111 K115 G116 R117N111-I113 PolarHBondContact O-N 3.41Å; I113-K115 VanDerWaalsContact C-N 3.32Å; I113-K115 PolarHBondContact O-N 2.98Å; I113-G116 PolarHBondContact O-N 3.44Å; I113-R117 WeakPolarHBondContact O-CG 3.14Å; I113-R117 PolarHBondContact O-N 3.49Å
114A86.6Confident85.6Confident49 Ų4968 Ų6841%0.40539%0.388SS..Hα-helixtrans-62.7-42.3178.100000110.8N111 G116 R117 V118N111-A114 HydrophobicContact CB-CB 3.78Å; N111-A114 PolarHBondContact O-N 3.06Å; N111-A114 VanDerWaalsContact O-N 3.12Å; A114-G116 PolarHBondContact O-N 3.33Å; A114-R117 PolarHBondContact O-N 2.93Å; A114-V118 WeakPolarHBondContact O-CG2 3.4Å; A114-V118 PolarHBondContact O-N 3.5Å
115K86.5Confident86.3Confident22 Ų2265.1 Ų65.110%0.09637%0.366CS..Hα-helixtrans-59.6-43.1175.2-170.2171.9-177.5175.80112.6G101 M102 K103 T105 D109 N111 P112 I113 V118 A119G101-K115 WeakPolarHBondContact O-CG 3.35Å; M102-K115 WeakPolarHBondContact O-CE 3.47Å; M102-K115 PolarHBondContact O-NZ 3.4Å; K103-K115 PolarHBondContact O-NZ 3.49Å; T105-K115 PolarHBondContact O-NZ 3.45Å; D109-K115 IonicContact OD1-NZ 3.66Å; N111-K115 PolarHBondContact O-N 3.35Å; N111-K115 VanDerWaalsContact O-N 3.09Å; P112-K115 PolarHBondContact O-N 3.01Å; I113-K115 VanDerWaalsContact C-N 3.32Å; I113-K115 PolarHBondContact O-N 2.98Å; K115-V118 PolarHBondContact O-N 3.26Å; K115-A119 PolarHBondContact O-N 3.39Å
116G85.6Confident87Confident13 Ų1363.8 Ų63.813%0.13436%0.357CS..Hα-helixtrans-61.8-42.6173.800000113.2P112 I113 A114 V118 A119 I120P112-G116 PolarHBondContact O-N 3.48Å; I113-G116 PolarHBondContact O-N 3.44Å; A114-G116 PolarHBondContact O-N 3.33Å; G116-V118 VanDerWaalsContact C-N 3.34Å; G116-V118 PolarHBondContact O-N 2.92Å; G116-A119 PolarHBondContact O-N 3.32Å; G116-I120 WeakPolarHBondContact O-CG1 3.42Å; G116-I120 PolarHBondContact O-N 2.95Å
117R88.8Confident87.8Confident180 Ų18055 Ų5568%0.67933%0.327SS*.Hα-helixtrans-62.7-40.4175.2-70.8179.2176.8-179.3-0.6112.3I113 A114 I120 A121I113-R117 WeakPolarHBondContact O-CG 3.14Å; I113-R117 PolarHBondContact O-N 3.49Å; A114-R117 PolarHBondContact O-N 2.93Å; R117-I120 PolarHBondContact O-N 3.36Å; R117-A121 WeakPolarHBondContact O-CB 3.37Å; R117-A121 PolarHBondContact O-N 3.4Å
118V91.6Very high88.7Confident44 Ų4454.5 Ų54.527%0.26732%0.321SS..Hα-helixtrans-64-40.7175.9171.50000111.2L97 V100 A114 K115 G116 A121 G122L97-V118 HydrophobicContact CB-CG1 4.26Å; L97-V118 HydrophobicContact CD2-CG1 4.25Å; L97-V118 VanDerWaalsContact O-CG1 3.31Å; L97-V118 WeakPolarHBondContact O-CG1 3.46Å; V100-V118 HydrophobicContact CB-CG1 4.31Å; V100-V118 HydrophobicContact CG1-CG1 4.26Å; A114-V118 WeakPolarHBondContact O-CG2 3.4Å; A114-V118 PolarHBondContact O-N 3.5Å; K115-V118 PolarHBondContact O-N 3.26Å; G116-V118 VanDerWaalsContact C-N 3.34Å; G116-V118 PolarHBondContact O-N 2.92Å; V118-A121 PolarHBondContact O-N 2.93Å; V118-G122 PolarHBondContact O-N 2.75Å
119A90.2Very high90Very high1 Ų152.6 Ų52.61%0.00830%0.301CS..Hα-helixtrans-62.3-44.6174.900000112.4K115 G116 G122 G123K115-A119 PolarHBondContact O-N 3.39Å; G116-A119 PolarHBondContact O-N 3.32Å; A119-G122 PolarHBondContact O-N 3.44Å; A119-G123 PolarHBondContact O-N 3.31Å
120I91.8Very high91.1Very high54 Ų5447.3 Ų47.328%0.27727%0.273SS..Hα-helixtrans-63.4-42.1176.3-67167.1000110.7G116 R117 G122 G123 A124 P187G116-I120 WeakPolarHBondContact O-CG1 3.42Å; G116-I120 PolarHBondContact O-N 2.95Å; R117-I120 PolarHBondContact O-N 3.36Å; I120-G122 VanDerWaalsContact C-N 3.34Å; I120-G122 PolarHBondContact O-N 2.9Å; I120-G123 PolarHBondContact O-N 3.25Å; I120-A124 WeakPolarHBondContact O-CB 3.47Å; I120-A124 PolarHBondContact O-N 2.85Å; I120-P187 HydrophobicContact CD1-CG 4.41Å
121A94.2Very high92.1Very high41 Ų4146.5 Ų46.534%0.33926%0.26SS..Hα-helixtrans-61-43.3175.700000111.6L97 R117 V118 A124 L125L97-A121 HydrophobicContact CD1-CB 4.27Å; R117-A121 WeakPolarHBondContact O-CB 3.37Å; R117-A121 PolarHBondContact O-N 3.4Å; V118-A121 PolarHBondContact O-N 2.93Å; A121-A124 PolarHBondContact O-N 2.88Å; A121-L125 WeakPolarHBondContact O-CG 3.46Å; A121-L125 PolarHBondContact O-N 2.99Å
122G94.8Very high92.7Very high0 Ų042.8 Ų42.80%024%0.242CC..Hα-helixtrans-58.8-47.5173.400000112.5A94 V118 A119 I120 A124 L125 F126A94-G122 WeakPolarHBondContact CB-O 3.26Å; V118-G122 PolarHBondContact O-N 2.75Å; A119-G122 PolarHBondContact O-N 3.44Å; I120-G122 VanDerWaalsContact C-N 3.34Å; I120-G122 PolarHBondContact O-N 2.9Å; G122-A124 PolarHBondContact O-N 2.84Å; G122-L125 PolarHBondContact O-N 2.86Å; G122-F126 WeakPolarHBondContact O-CD2 3.38Å; G122-F126 PolarHBondContact O-N 2.85Å; G122-F126 VanDerWaalsContact O-N 3.08Å
123G95.3Very high93.4Very high0 Ų038.3 Ų38.30%021%0.213CC..Hα-helixtrans-60.1-43.8175.700000113.4A119 I120 L125 F126 I127 G179A119-G123 PolarHBondContact O-N 3.31Å; I120-G123 PolarHBondContact O-N 3.25Å; G123-L125 VanDerWaalsContact C-N 3.35Å; G123-L125 PolarHBondContact O-N 3.45Å; G123-F126 WeakPolarHBondContact O-CB 3.42Å; G123-F126 PolarHBondContact O-N 2.97Å; G123-I127 WeakPolarHBondContact O-CG1 3.42Å; G123-I127 PolarHBondContact O-N 2.92Å; G123-G179 WeakPolarHBondContact O-CA 3.33Å
124A96.3Very high94.1Very high48 Ų4837.1 Ų37.140%0.39721%0.207SC..Hα-helixtrans-63.6-39.4178.700000112.2I120 A121 G122 I127 L128 C183I120-A124 WeakPolarHBondContact O-CB 3.47Å; I120-A124 PolarHBondContact O-N 2.85Å; A121-A124 PolarHBondContact O-N 2.88Å; G122-A124 PolarHBondContact O-N 2.84Å; A124-I127 PolarHBondContact O-N 3.3Å; A124-L128 PolarHBondContact O-N 3.07Å; A124-C183 PolarHBondContact N-SG 3.47Å
125L97.4Very high94.6Very high41 Ų4138.3 Ų38.322%0.21521%0.209CC..Hα-helixtrans-67.1-35.5174.9-68.8-179.9000112.4L90 V93 A94 L97 A121 G122 G123 L128 A129L90-L125 HydrophobicContact CD2-CD2 4.19Å; V93-L125 HydrophobicContact CB-CD1 4.26Å; V93-L125 HydrophobicContact CG1-CD1 3.7Å; A94-L125 HydrophobicContact CB-CB 3.59Å; L97-L125 HydrophobicContact CD1-CD1 3.68Å; A121-L125 WeakPolarHBondContact O-CG 3.46Å; A121-L125 PolarHBondContact O-N 2.99Å; G122-L125 PolarHBondContact O-N 2.86Å; G123-L125 VanDerWaalsContact C-N 3.35Å; G123-L125 PolarHBondContact O-N 3.45Å; L125-L128 PolarHBondContact O-N 2.89Å; L125-A129 WeakPolarHBondContact O-CB 3.3Å; L125-A129 PolarHBondContact O-N 3.47Å
126F97.6Very high95Very high1 Ų137.3 Ų37.30%0.00421%0.205CC..Hα-helixtrans-64.4-40.9172.1-84.6-58.4000112.8A14 W18 A94 M95 S98 G122 G123 L128 A129 G130 L182A14-F126 HydrophobicContact CB-CB 4.49Å; A14-F126 HydrophobicContact CB-CD1 3.87Å; A14-F126 HydrophobicContact CB-CD2 3.65Å; A14-F126 HydrophobicContact CB-CE1 3.9Å; A14-F126 HydrophobicContact CB-CE2 3.64Å; A14-F126 HydrophobicContact CB-CG 3.76Å; A14-F126 HydrophobicContact CB-CZ 3.78Å; W18-F126 HydrophobicContact CB-CE1 4.2Å; A94-F126 HydrophobicContact CB-CB 4.45Å; A94-F126 HydrophobicContact CB-CD1 3.81Å; A94-F126 HydrophobicContact CB-CD2 3.63Å; A94-F126 HydrophobicContact CB-CE1 3.86Å; A94-F126 HydrophobicContact CB-CE2 3.71Å; A94-F126 HydrophobicContact CB-CG 3.68Å; A94-F126 HydrophobicContact CB-CZ 3.8Å; M95-F126 HydrophobicContact CB-CZ 4.25Å; M95-F126 HydrophobicContact CG-CE1 4.09Å; M95-F126 HydrophobicContact CG-CZ 3.62Å; M95-F126 HydrophobicContact SD-CE1 4.27Å; M95-F126 HydrophobicContact SD-CZ 3.55Å; M95-F126 VanDerWaalsContact SD-CZ 3.55Å; S98-F126 WeakPolarHBondContact OG-CE2 3.5Å; G122-F126 WeakPolarHBondContact O-CD2 3.38Å; G122-F126 PolarHBondContact O-N 2.85Å; G122-F126 VanDerWaalsContact O-N 3.08Å; G123-F126 WeakPolarHBondContact O-CB 3.42Å; G123-F126 PolarHBondContact O-N 2.97Å; F126-L128 VanDerWaalsContact C-N 3.33Å; F126-A129 PolarHBondContact O-N 3.15Å; F126-G130 PolarHBondContact O-N 3.18Å; F126-L182 HydrophobicContact CD2-CD1 3.86Å; F126-L182 HydrophobicContact CE2-CD1 4.1Å
127I97.5Very high95.5Very high44 Ų4436.7 Ų36.723%0.22620%0.199CC..Hα-helixtrans-60.8-47174.1-65.4168.4000109.5G123 A124 A129 G130 L131G123-I127 WeakPolarHBondContact O-CG1 3.42Å; G123-I127 PolarHBondContact O-N 2.92Å; A124-I127 PolarHBondContact O-N 3.3Å; I127-A129 PolarHBondContact O-N 3.49Å; I127-G130 PolarHBondContact O-N 3.25Å; I127-L131 HydrophobicContact CG2-CD1 4Å; I127-L131 HydrophobicContact CG2-CG 4.3Å; I127-L131 VanDerWaalsContact O-CG 3.3Å; I127-L131 WeakPolarHBondContact O-CG 3.29Å; I127-L131 PolarHBondContact O-N 3.39Å
128L97.5Very high95.8Very high81 Ų8129.6 Ų29.642%0.42418%0.176SC..Hα-helixtrans-61.5-44.8178.3-174.861.4000112.1L90 A124 L125 F126 G130 L131 C132L90-L128 HydrophobicContact CD1-CD2 3.81Å; L90-L128 HydrophobicContact CD1-CG 3.83Å; L90-L128 HydrophobicContact CD2-CD2 4.45Å; A124-L128 PolarHBondContact O-N 3.07Å; L125-L128 PolarHBondContact O-N 2.89Å; F126-L128 VanDerWaalsContact C-N 3.33Å; L128-G130 VanDerWaalsContact C-N 3.34Å; L128-G130 PolarHBondContact O-N 3.36Å; L128-L131 PolarHBondContact O-N 3.49Å; L128-C132 PolarHBondContact O-N 3.21Å; L128-C132 PolarHBondContact O-SG 3.41Å; L128-C132 VanDerWaalsContact O-SG 3.32Å
129A97.7Very high95.9Very high1 Ų133.7 Ų33.71%0.00819%0.187CC..Hα-helixtrans-60.4-42.4175.500000112.1A87 L90 L125 F126 I127 C132 T133A87-A129 HydrophobicContact CB-CB 4.49Å; A87-A129 WeakPolarHBondContact CB-O 3.15Å; A87-A129 WeakPolarHBondContact O-CB 3.26Å; L90-A129 HydrophobicContact CB-CB 4Å; L125-A129 WeakPolarHBondContact O-CB 3.3Å; L125-A129 PolarHBondContact O-N 3.47Å; F126-A129 PolarHBondContact O-N 3.15Å; I127-A129 PolarHBondContact O-N 3.49Å; A129-C132 PolarHBondContact O-N 3.01Å; A129-T133 PolarHBondContact O-N 3.34Å; A129-T133 PolarHBondContact O-OG1 2.87Å
130G97.7Very high96.1Very high0 Ų034.1 Ų34.10%019%0.189CC..Hα-helixtrans-63.1-43.717500000112.4F126 I127 L128 T133 L134 A172F126-G130 PolarHBondContact O-N 3.18Å; I127-G130 PolarHBondContact O-N 3.25Å; L128-G130 VanDerWaalsContact C-N 3.34Å; L128-G130 PolarHBondContact O-N 3.36Å; G130-T133 PolarHBondContact O-N 2.85Å; G130-L134 WeakPolarHBondContact O-CB 3.47Å; G130-L134 PolarHBondContact O-N 3.41Å; G130-A172 WeakPolarHBondContact O-CB 3.39Å
131L97.7Very high96.2Very high82 Ų8232 Ų3243%0.42918%0.18SC..Hα-helixtrans-65.6-41176.3-68.9176.4000112.4I127 L128 T133 L134 T135I127-L131 HydrophobicContact CG2-CD1 4Å; I127-L131 HydrophobicContact CG2-CG 4.3Å; I127-L131 VanDerWaalsContact O-CG 3.3Å; I127-L131 WeakPolarHBondContact O-CG 3.29Å; I127-L131 PolarHBondContact O-N 3.39Å; L128-L131 PolarHBondContact O-N 3.49Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 2.89Å; L131-L134 WeakPolarHBondContact O-CB 3.4Å; L131-L134 PolarHBondContact O-N 3.44Å; L131-T135 WeakPolarHBondContact O-CG2 3.24Å; L131-T135 PolarHBondContact O-N 3.09Å; L131-T135 PolarHBondContact O-OG1 2.84Å
132C96.7Very high96.2Very high20 Ų2033.2 Ų33.214%0.13518%0.183CC..Hα-helixtrans-61.9-40.2173.6-71.90000112.2A87 L128 A129 T135 A136A87-C132 HydrophobicContact CB-CB 4.04Å; L128-C132 PolarHBondContact O-N 3.21Å; L128-C132 PolarHBondContact O-SG 3.41Å; L128-C132 VanDerWaalsContact O-SG 3.32Å; A129-C132 PolarHBondContact O-N 3.01Å; C132-T135 PolarHBondContact O-OG1 3.28Å; C132-A136 WeakPolarHBondContact O-CB 3.28Å; C132-A136 PolarHBondContact O-N 3.44Å; C132-A136 VanDerWaalsContact O-N 3.07Å
133T97.3Very high96Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-65.6-45.5175.1-56.40000110.5I21 M84 A87 A129 G130 L131 T135 A136 V137 A172I21-T133 WeakPolarHBondContact CD1-OG1 3.4Å; I21-T133 HydrophobicContact CG1-CG2 4Å; I21-T133 WeakPolarHBondContact CG1-OG1 3.36Å; M84-T133 HydrophobicContact CE-CG2 4.01Å; M84-T133 HydrophobicContact SD-CG2 3.94Å; A87-T133 WeakPolarHBondContact CB-OG1 3.32Å; A129-T133 PolarHBondContact O-N 3.34Å; A129-T133 PolarHBondContact O-OG1 2.87Å; G130-T133 PolarHBondContact O-N 2.85Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 2.89Å; T133-T135 PolarHBondContact O-N 2.83Å; T133-A136 PolarHBondContact O-N 3.33Å; T133-V137 HydrophobicContact CG2-CG2 4.14Å; T133-V137 WeakPolarHBondContact O-CB 3.38Å; T133-V137 VanDerWaalsContact O-CG2 3.22Å; T133-V137 WeakPolarHBondContact O-CG2 2.73Å; T133-V137 PolarHBondContact O-N 3.45Å; T133-A172 HydrophobicContact CG2-CB 4.13Å
134L97.3Very high95.8Very high57 Ų5735.6 Ų35.630%0.29820%0.196SC..Hα-helixtrans-56.4-52.9178.4-161.874.2000110.3G130 L131 A136 V137 S138 W169 A172G130-L134 WeakPolarHBondContact O-CB 3.47Å; G130-L134 PolarHBondContact O-N 3.41Å; L131-L134 WeakPolarHBondContact O-CB 3.4Å; L131-L134 PolarHBondContact O-N 3.44Å; L134-A136 PolarHBondContact O-N 2.93Å; L134-V137 PolarHBondContact O-N 2.93Å; L134-S138 VanDerWaalsContact O-CB 3.27Å; L134-S138 WeakPolarHBondContact O-CB 3.27Å; L134-S138 PolarHBondContact O-N 3.47Å; L134-S138 PolarHBondContact O-OG 3.05Å; L134-W169 HydrophobicContact CD1-CD2 4.32Å; L134-W169 HydrophobicContact CD1-CE3 3.19Å; L134-W169 HydrophobicContact CD1-CH2 4.44Å; L134-W169 HydrophobicContact CD1-CZ3 3.27Å; L134-W169 HydrophobicContact CG-CE3 4.22Å; L134-W169 HydrophobicContact CG-CZ3 3.85Å; L134-A172 HydrophobicContact CB-CB 4.1Å; L134-A172 HydrophobicContact CD1-CB 3.85Å
135T96.2Very high95.6Very high74 Ų7435.8 Ų35.845%0.45419%0.192SC..Hα-helixtrans-61.1-42.5-179.854.30000112.2L131 C132 T133 W139L131-T135 WeakPolarHBondContact O-CG2 3.24Å; L131-T135 PolarHBondContact O-N 3.09Å; L131-T135 PolarHBondContact O-OG1 2.84Å; C132-T135 PolarHBondContact O-OG1 3.28Å; T133-T135 PolarHBondContact O-N 2.83Å; T135-W139 WeakPolarHBondContact O-CB 3.34Å; T135-W139 PolarHBondContact O-N 3.48Å
136A95.4Very high95.3Very high1 Ų139.7 Ų39.71%0.00821%0.209CC..Hα-helixtrans-60.8-49.4177.600000112.3L83 M84 C132 T133 L134 Y140L83-A136 HydrophobicContact CB-CB 3.71Å; L83-A136 HydrophobicContact CD1-CB 3.97Å; M84-A136 HydrophobicContact CG-CB 4.05Å; M84-A136 HydrophobicContact SD-CB 3.83Å; C132-A136 WeakPolarHBondContact O-CB 3.28Å; C132-A136 PolarHBondContact O-N 3.44Å; C132-A136 VanDerWaalsContact O-N 3.07Å; T133-A136 PolarHBondContact O-N 3.33Å; L134-A136 PolarHBondContact O-N 2.93Å; A136-Y140 WeakPolarHBondContact O-CB 3.14Å; A136-Y140 PolarHBondContact O-N 2.94Å
137V95.9Very high94.9Very high0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-70.2-41.9-177.51770000110.8W30 M84 T133 L134 Y140 A141 L165 W169W30-V137 HydrophobicContact CH2-CG2 3.88Å; W30-V137 HydrophobicContact CZ3-CG2 4.23Å; M84-V137 HydrophobicContact SD-CG2 4.34Å; T133-V137 HydrophobicContact CG2-CG2 4.14Å; T133-V137 WeakPolarHBondContact O-CB 3.38Å; T133-V137 VanDerWaalsContact O-CG2 3.22Å; T133-V137 WeakPolarHBondContact O-CG2 2.73Å; T133-V137 PolarHBondContact O-N 3.45Å; L134-V137 PolarHBondContact O-N 2.93Å; V137-Y140 PolarHBondContact O-N 3.45Å; V137-A141 WeakPolarHBondContact O-CB 3.13Å; V137-A141 PolarHBondContact O-N 2.78Å; V137-L165 HydrophobicContact CG1-CB 4.05Å; V137-L165 HydrophobicContact CG1-CD2 3.75Å; V137-L165 WeakPolarHBondContact CG1-O 3.43Å; V137-W169 HydrophobicContact CG1-CD2 4.23Å; V137-W169 HydrophobicContact CG1-CG 4.02Å
138S95.8Very high94.5Very high31 Ų3144.5 Ų44.522%0.21723%0.23CC..Hα-helixtrans-62.8-43.8175.4-54.80000112.2L134 A141 T142 W169L134-S138 VanDerWaalsContact O-CB 3.27Å; L134-S138 WeakPolarHBondContact O-CB 3.27Å; L134-S138 PolarHBondContact O-N 3.47Å; L134-S138 PolarHBondContact O-OG 3.05Å; S138-A141 PolarHBondContact O-N 2.86Å; S138-T142 WeakPolarHBondContact O-CB 3.39Å; S138-T142 PolarHBondContact O-N 3.27Å; S138-T142 PolarHBondContact O-OG1 3.05Å; S138-W169 WeakPolarHBondContact OG-CH2 3.42Å; S138-W169 VanDerWaalsContact OG-CZ2 3.24Å; S138-W169 WeakPolarHBondContact OG-CZ2 3.48Å; S138-W169 WeakPolarHBondContact OG-CZ3 3.3Å
139W94.5Very high94.1Very high130 Ų13048 Ų4849%0.49224%0.242SC..Hα-helixtrans-63.5-47.4179.7-174.7-97000110.5H76 T135 A141 T142 L143H76-W139 AromaticContact ND1-NE1 3.72Å; T135-W139 WeakPolarHBondContact O-CB 3.34Å; T135-W139 PolarHBondContact O-N 3.48Å; W139-A141 PolarHBondContact O-N 3.07Å; W139-T142 PolarHBondContact O-N 2.87Å; W139-L143 WeakPolarHBondContact O-CG 3.38Å; W139-L143 PolarHBondContact O-N 2.69Å; W139-L143 VanDerWaalsContact O-N 3.14Å
140Y93.6Very high93.7Very high10 Ų1050.7 Ų50.74%0.03926%0.256CS..Hα-helixtrans-59.9-45.6176.2-164.1-81.1000111.9W30 K31 I77 A80 A136 V137 T142 L143 V144 L165W30-Y140 HydrophobicContact CB-CD1 4.45Å; W30-Y140 HydrophobicContact CB-CE1 3.81Å; W30-Y140 AromaticContact CE3-CD1 3.85Å; W30-Y140 HydrophobicContact CE3-CD1 3.85Å; W30-Y140 AromaticContact CE3-CD2 3.81Å; W30-Y140 HydrophobicContact CE3-CD2 3.81Å; W30-Y140 HydrophobicContact CE3-CE1 4.25Å; W30-Y140 HydrophobicContact CE3-CE2 4.21Å; W30-Y140 AromaticContact CE3-CG 3.62Å; W30-Y140 HydrophobicContact CE3-CG 3.62Å; W30-Y140 HydrophobicContact CZ3-CD2 4.25Å; W30-Y140 HydrophobicContact CZ3-CG 4.04Å; K31-Y140 HydrophobicContact CB-CE1 4.1Å; K31-Y140 HydrophobicContact CD-CE1 4.34Å; K31-Y140 WeakPolarHBondContact CD-OH 3.48Å; K31-Y140 HydrophobicContact CG-CE1 4.28Å; K31-Y140 WeakPolarHBondContact CG-OH 3.43Å; I77-Y140 HydrophobicContact CG1-CE2 4.19Å; A80-Y140 HydrophobicContact CB-CD2 4.35Å; A136-Y140 WeakPolarHBondContact O-CB 3.14Å; A136-Y140 PolarHBondContact O-N 2.94Å; V137-Y140 PolarHBondContact O-N 3.45Å; Y140-T142 VanDerWaalsContact C-N 3.32Å; Y140-T142 PolarHBondContact O-N 2.86Å; Y140-L143 PolarHBondContact O-N 2.85Å; Y140-V144 HydrophobicContact CD1-CG2 3.87Å; Y140-V144 HydrophobicContact CE1-CG2 3.68Å; Y140-V144 WeakPolarHBondContact O-CG2 3.45Å; Y140-V144 PolarHBondContact O-N 3.41Å; Y140-V144 VanDerWaalsContact O-N 3.08Å; Y140-L165 HydrophobicContact CD1-CD1 4.33Å; Y140-L165 HydrophobicContact CD1-CD2 3.89Å; Y140-L165 HydrophobicContact CG-CD2 4.39Å
141A94.1Very high93.3Very high11 Ų1156.5 Ų56.59%0.09129%0.294CS..Hα-helixtrans-61.4-39.4176.700000112.4V137 S138 W139 L143 V144 T145 F161 L165V137-A141 WeakPolarHBondContact O-CB 3.13Å; V137-A141 PolarHBondContact O-N 2.78Å; S138-A141 PolarHBondContact O-N 2.86Å; W139-A141 PolarHBondContact O-N 3.07Å; A141-L143 VanDerWaalsContact C-N 3.3Å; A141-L143 PolarHBondContact O-N 3.32Å; A141-V144 PolarHBondContact O-N 3.45Å; A141-T145 WeakPolarHBondContact O-CB 3.35Å; A141-T145 PolarHBondContact O-N 3.14Å; A141-T145 PolarHBondContact O-OG1 3.48Å; A141-F161 HydrophobicContact CB-CD1 4.32Å; A141-F161 HydrophobicContact CB-CE1 3.78Å; A141-F161 HydrophobicContact CB-CZ 4.22Å; A141-F161 WeakPolarHBondContact O-CE1 3.35Å; A141-L165 HydrophobicContact CB-CD1 4.26Å
142T93.8Very high92.9Very high66 Ų6657.3 Ų57.341%0.40531%0.307SS..Hα-helixtrans-61.7-41177.6-58.80000111.1S138 W139 Y140 T145 Q146S138-T142 WeakPolarHBondContact O-CB 3.39Å; S138-T142 PolarHBondContact O-N 3.27Å; S138-T142 PolarHBondContact O-OG1 3.05Å; W139-T142 PolarHBondContact O-N 2.87Å; Y140-T142 VanDerWaalsContact C-N 3.32Å; Y140-T142 PolarHBondContact O-N 2.86Å; T142-T145 WeakPolarHBondContact O-CB 3.46Å; T142-T145 PolarHBondContact O-N 3.34Å; T142-Q146 VanDerWaalsContact O-CG 3.32Å; T142-Q146 WeakPolarHBondContact O-CG 3.39Å; T142-Q146 PolarHBondContact O-N 3.34Å
143L91Very high92.3Very high38 Ų3856.7 Ų56.720%0.19930%0.302CS..Hα-helixtrans-67.2-44.8177.9-67.4168.2000112.5H76 W139 Y140 A141 T145 Q146 E147H76-L143 HydrophobicContact CB-CD1 3.33Å; H76-L143 VanDerWaalsContact CG-CD1 3.49Å; W139-L143 WeakPolarHBondContact O-CG 3.38Å; W139-L143 PolarHBondContact O-N 2.69Å; W139-L143 VanDerWaalsContact O-N 3.14Å; Y140-L143 PolarHBondContact O-N 2.85Å; A141-L143 VanDerWaalsContact C-N 3.3Å; A141-L143 PolarHBondContact O-N 3.32Å; L143-T145 PolarHBondContact O-N 3.02Å; L143-Q146 PolarHBondContact O-N 3.08Å; L143-E147 WeakPolarHBondContact O-CB 3.38Å; L143-E147 PolarHBondContact O-N 2.71Å
144V90.8Very high91.6Very high11 Ų1160.2 Ų60.27%0.06733%0.325CS..Hα-helixtrans-58.3-40.3174.9174.80000110.4K31 Y140 A141 E147 F148 Y159 F161K31-V144 HydrophobicContact CB-CG2 4.02Å; K31-V144 HydrophobicContact CD-CG2 4.2Å; Y140-V144 HydrophobicContact CD1-CG2 3.87Å; Y140-V144 HydrophobicContact CE1-CG2 3.68Å; Y140-V144 WeakPolarHBondContact O-CG2 3.45Å; Y140-V144 PolarHBondContact O-N 3.41Å; Y140-V144 VanDerWaalsContact O-N 3.08Å; A141-V144 PolarHBondContact O-N 3.45Å; V144-E147 PolarHBondContact O-N 3.03Å; V144-F148 WeakPolarHBondContact O-CB 3.36Å; V144-F148 PolarHBondContact O-N 3.33Å; V144-Y159 VanDerWaalsContact CG1-O 3.31Å; V144-Y159 WeakPolarHBondContact CG1-O 3.5Å; V144-F161 HydrophobicContact CB-CD1 4.27Å; V144-F161 HydrophobicContact CB-CE1 4.09Å; V144-F161 HydrophobicContact CG1-CD1 4Å; V144-F161 HydrophobicContact CG1-CE1 4.1Å
145T92.2Very high90.7Very high53 Ų5361.4 Ų61.433%0.32534%0.335SS..Hα-helixtrans-64.2-47.4176.5-52.60000111.7A141 T142 L143 E147 F148 F149 F161A141-T145 WeakPolarHBondContact O-CB 3.35Å; A141-T145 PolarHBondContact O-N 3.14Å; A141-T145 PolarHBondContact O-OG1 3.48Å; T142-T145 WeakPolarHBondContact O-CB 3.46Å; T142-T145 PolarHBondContact O-N 3.34Å; L143-T145 PolarHBondContact O-N 3.02Å; T145-E147 VanDerWaalsContact C-N 3.33Å; T145-E147 PolarHBondContact O-N 3.22Å; T145-F148 PolarHBondContact O-N 3.4Å; T145-F149 HydrophobicContact CG2-CD2 3.74Å; T145-F149 HydrophobicContact CG2-CE2 3.73Å; T145-F149 WeakPolarHBondContact O-CD2 3.4Å; T145-F149 PolarHBondContact O-N 3.4Å; T145-F149 VanDerWaalsContact O-N 3.12Å; T145-F161 VanDerWaalsContact OG1-CZ 3.25Å; T145-F161 WeakPolarHBondContact OG1-CZ 3.38Å
146Q91.5Very high89.7Confident122 Ų12262.6 Ų62.657%0.5734%0.338SS*.Hα-helixtrans-60.4-43.5178.8-75.2175-1.300111.6T142 L143 F149 N150T142-Q146 VanDerWaalsContact O-CG 3.32Å; T142-Q146 WeakPolarHBondContact O-CG 3.39Å; T142-Q146 PolarHBondContact O-N 3.34Å; L143-Q146 PolarHBondContact O-N 3.08Å; Q146-F149 PolarHBondContact O-N 3.2Å; Q146-N150 WeakPolarHBondContact O-CB 3.36Å; Q146-N150 PolarHBondContact O-N 2.86Å
147E88.6Confident89Confident89 Ų8964.7 Ų64.742%0.41636%0.356SS..Hα-helixtrans-68.1-36.9178.6-169.257.9-153.600112L143 V144 T145 F149 N150 T153L143-E147 WeakPolarHBondContact O-CB 3.38Å; L143-E147 PolarHBondContact O-N 2.71Å; V144-E147 PolarHBondContact O-N 3.03Å; T145-E147 VanDerWaalsContact C-N 3.33Å; T145-E147 PolarHBondContact O-N 3.22Å; E147-F149 PolarHBondContact O-N 3.45Å; E147-N150 PolarHBondContact O-N 3.27Å; E147-T153 VanDerWaalsContact CD-OG1 3.26Å; E147-T153 HydrophobicContact CG-CG2 4.12Å; E147-T153 WeakPolarHBondContact O-CB 3.08Å; E147-T153 PolarHBondContact O-OG1 3.02Å; E147-T153 WeakPolarHBondContact OE1-CB 3.26Å; E147-T153 WeakPolarHBondContact OE1-CG2 3.37Å; E147-T153 PolarHBondContact OE1-OG1 2.67Å
148F88.6Confident88.4Confident57 Ų5767.9 Ų67.925%0.2537%0.368CS..Hα-helixtrans-63.8-39.7176.8-172.8-87.3000112.7V144 T145 R158 Y159 E160V144-F148 WeakPolarHBondContact O-CB 3.36Å; V144-F148 PolarHBondContact O-N 3.33Å; T145-F148 PolarHBondContact O-N 3.4Å; F148-R158 HydrophobicContact CD2-CB 3.87Å; F148-R158 HydrophobicContact CD2-CG 4.41Å; F148-R158 HydrophobicContact CE2-CB 4.12Å; F148-R158 PolarHBondContact O-NE 3.34Å; F148-Y159 WeakPolarHBondContact CD2-O 3.48Å; F148-E160 HydrophobicContact CE2-CG 4.36Å
149F89.8Confident88Confident154 Ų15468.1 Ų68.168%0.67536%0.364SS*.Hα-helixtrans-90.7-3.7-179.3-70.2-66.7000114.2T145 Q146 E147 P151T145-F149 HydrophobicContact CG2-CD2 3.74Å; T145-F149 HydrophobicContact CG2-CE2 3.73Å; T145-F149 WeakPolarHBondContact O-CD2 3.4Å; T145-F149 PolarHBondContact O-N 3.4Å; T145-F149 VanDerWaalsContact O-N 3.12Å; Q146-F149 PolarHBondContact O-N 3.2Å; E147-F149 PolarHBondContact O-N 3.45Å; F149-P151 WeakPolarHBondContact O-CD 3.24Å
150N90.1Very high87.9Confident58 Ų5866.4 Ų66.431%0.3136%0.362SS..  trans-70.7121.4176.8-174.1-15.7000109.7Q146 E147 S152 T153Q146-N150 WeakPolarHBondContact O-CB 3.36Å; Q146-N150 PolarHBondContact O-N 2.86Å; E147-N150 PolarHBondContact O-N 3.27Å; N150-S152 PolarHBondContact O-N 2.96Å; N150-S152 VanDerWaalsContact O-N 3.16Å; N150-S152 VanDerWaalsContact OD1-CB 3.3Å; N150-S152 WeakPolarHBondContact OD1-CB 3.49Å; N150-S152 PolarHBondContact OD1-N 3.48Å; N150-S152 PolarHBondContact OD1-OG 3.39Å; N150-T153 PolarHBondContact O-N 3.35Å; N150-T153 VanDerWaalsContact O-N 3.08Å
151P88.5Confident87.8Confident122 Ų12270.2 Ų70.279%0.79238%0.379SS*.THydrogen-bonded Turntrans-64.9-18.718026.4-35.1000113.2F149 T153F149-P151 WeakPolarHBondContact O-CD 3.24Å; P151-T153 VanDerWaalsContact C-N 3.29Å
152S89.6Confident87.7Confident99 Ų9969.7 Ų69.769%0.69237%0.374SS*.THydrogen-bonded Turntrans-76.9-17.5176.9-47.60000112.7N150N150-S152 PolarHBondContact O-N 2.96Å; N150-S152 VanDerWaalsContact O-N 3.16Å; N150-S152 VanDerWaalsContact OD1-CB 3.3Å; N150-S152 WeakPolarHBondContact OD1-CB 3.49Å; N150-S152 PolarHBondContact OD1-N 3.48Å; N150-S152 PolarHBondContact OD1-OG 3.39Å
153T83.7Confident87.8Confident8 Ų869.1 Ų69.15%0.04937%0.371CS..SBendtrans-84.9116.1-176.4-52.70000109.7E147 N150 P151 A157 R158E147-T153 VanDerWaalsContact CD-OG1 3.26Å; E147-T153 HydrophobicContact CG-CG2 4.12Å; E147-T153 WeakPolarHBondContact O-CB 3.08Å; E147-T153 PolarHBondContact O-OG1 3.02Å; E147-T153 WeakPolarHBondContact OE1-CB 3.26Å; E147-T153 WeakPolarHBondContact OE1-CG2 3.37Å; E147-T153 PolarHBondContact OE1-OG1 2.67Å; N150-T153 PolarHBondContact O-N 3.35Å; N150-T153 VanDerWaalsContact O-N 3.08Å; P151-T153 VanDerWaalsContact C-N 3.29Å; T153-A157 HydrophobicContact CG2-CB 4.44Å; T153-R158 HydrophobicContact CG2-CG 4.14Å
154P82.6Confident88Confident74 Ų7467.3 Ų67.348%0.48136%0.362SS..  trans-67.1146.2-175.632.3-37.1000109.7N156 A157P154-N156 VanDerWaalsContact CB-OD1 3.27Å; P154-N156 WeakPolarHBondContact CB-OD1 3.48Å; P154-N156 PolarHBondContact O-N 3.3Å; P154-A157 HydrophobicContact CG-CB 3.79Å; P154-A157 PolarHBondContact O-N 2.62Å
155V77.9Confident88.2Confident82 Ų8266.9 Ų66.950%0.49736%0.359SS..G310 helixtrans-56.6-30.1-170.4-66.30000113.7A157V155-A157 VanDerWaalsContact C-N 3.33Å
156N76.8Confident88.4Confident99 Ų9970.2 Ų70.253%0.52937%0.37SS..G310 helixtrans-77.6-12.3177.960.6-33000114.2P154P154-N156 VanDerWaalsContact CB-OD1 3.27Å; P154-N156 WeakPolarHBondContact CB-OD1 3.48Å; P154-N156 PolarHBondContact O-N 3.3Å
157A79.3Confident88.6Confident45 Ų4567 Ų6737%0.37236%0.358SS..G310 helixtrans-106.38.2178.400000113.1T153 P154 V155 Y159T153-A157 HydrophobicContact CG2-CB 4.44Å; P154-A157 HydrophobicContact CG-CB 3.79Å; P154-A157 PolarHBondContact O-N 2.62Å; V155-A157 VanDerWaalsContact C-N 3.33Å; A157-Y159 WeakPolarHBondContact O-CD2 3.37Å
158R84.6Confident89Confident66 Ų6662.7 Ų62.725%0.24934%0.338CS..  trans-78.5135-179.1-68.3-175-177.3176.1-2.2111.7S34 F148 T153S34-R158 WeakPolarHBondContact CB-O 3.36Å; S34-R158 PolarHBondContact N-O 3.29Å; S34-R158 VanDerWaalsContact OG-C 3.31Å; S34-R158 PolarHBondContact OG-O 3.1Å; F148-R158 HydrophobicContact CD2-CB 3.87Å; F148-R158 HydrophobicContact CD2-CG 4.41Å; F148-R158 HydrophobicContact CE2-CB 4.12Å; F148-R158 PolarHBondContact O-NE 3.34Å; T153-R158 HydrophobicContact CG2-CG 4.14Å
159Y87.3Confident89.5Confident36 Ų3665 Ų6514%0.14135%0.345CS..EExtended strand (participates in β ladder)trans-108.9142.3176-75.6-89.3000111.7K31 Q32 L46 E48 V144 F148 A157K31-Y159 HydrophobicContact CB-CD1 4.01Å; K31-Y159 HydrophobicContact CB-CG 4.34Å; K31-Y159 HydrophobicContact CD-CD1 3.69Å; K31-Y159 HydrophobicContact CD-CD2 4.16Å; K31-Y159 HydrophobicContact CD-CE1 4.22Å; K31-Y159 HydrophobicContact CD-CG 3.66Å; K31-Y159 HydrophobicContact CG-CD1 3.57Å; K31-Y159 HydrophobicContact CG-CE1 4.12Å; K31-Y159 HydrophobicContact CG-CG 4.03Å; Q32-Y159 VanDerWaalsContact C-CD1 3.44Å; Q32-Y159 CarbonylContact O-C 3.49Å; Q32-Y159 VanDerWaalsContact O-CA 3.3Å; Q32-Y159 WeakPolarHBondContact O-CA 3.46Å; L46-Y159 HydrophobicContact CB-CE1 4.44Å; E48-Y159 HydrophobicContact CG-CE1 4.32Å; E48-Y159 VanDerWaalsContact OE1-CZ 3.26Å; E48-Y159 PolarHBondContact OE1-OH 3.42Å; V144-Y159 VanDerWaalsContact CG1-O 3.31Å; V144-Y159 WeakPolarHBondContact CG1-O 3.5Å; F148-Y159 WeakPolarHBondContact CD2-O 3.48Å; A157-Y159 WeakPolarHBondContact O-CD2 3.37Å
160E90.9Very high89.9Confident95 Ų9560.6 Ų60.644%0.44434%0.337SS..EExtended strand (participates in β ladder)trans-102.7167.1170.1-83.4168.8-162.600110.9K31 Q32 S34 F148 G162K31-E160 VanDerWaalsContact CA-O 3.31Å; K31-E160 WeakPolarHBondContact CA-O 3.41Å; Q32-E160 PolarHBondContact N-O 2.91Å; Q32-E160 PolarHBondContact O-N 2.58Å; S34-E160 WeakPolarHBondContact CB-OE1 3.26Å; S34-E160 WeakPolarHBondContact OG-CG 3.23Å; F148-E160 HydrophobicContact CE2-CG 4.36Å; E160-G162 PolarHBondContact O-N 2.85Å
161F92.8Very high90.2Very high90 Ų9058 Ų5840%0.39532%0.323SS..EExtended strand (participates in β ladder)trans-65.3123.7176-61-36.5000111.4A141 V144 T145 L165 F166A141-F161 HydrophobicContact CB-CD1 4.32Å; A141-F161 HydrophobicContact CB-CE1 3.78Å; A141-F161 HydrophobicContact CB-CZ 4.22Å; A141-F161 WeakPolarHBondContact O-CE1 3.35Å; V144-F161 HydrophobicContact CB-CD1 4.27Å; V144-F161 HydrophobicContact CB-CE1 4.09Å; V144-F161 HydrophobicContact CG1-CD1 4Å; V144-F161 HydrophobicContact CG1-CE1 4.1Å; T145-F161 VanDerWaalsContact OG1-CZ 3.25Å; T145-F161 WeakPolarHBondContact OG1-CZ 3.38Å; F161-L165 HydrophobicContact CB-CD1 4.03Å; F161-L165 HydrophobicContact CD1-CD1 3.7Å; F161-L165 HydrophobicContact CG-CD1 4.16Å; F161-F166 HydrophobicContact CB-CE2 4.05Å; F161-F166 HydrophobicContact CB-CZ 4.08Å; F161-F166 HydrophobicContact CD2-CZ 4.49Å
162G92.5Very high90.7Very high0 Ų052.2 Ų52.20%029%0.285CS..PPolyproline II helixtrans-79.8157.3173.100000112.3Q29 W30 E160 A164 L165Q29-G162 CarbonylContact O-C 3.58Å; Q29-G162 WeakPolarHBondContact O-CA 3.43Å; W30-G162 PolarHBondContact O-N 2.84Å; E160-G162 PolarHBondContact O-N 2.85Å; G162-A164 PolarHBondContact O-N 3.33Å; G162-A164 VanDerWaalsContact O-N 3.1Å; G162-L165 PolarHBondContact O-N 3.49Å; G162-L165 VanDerWaalsContact O-N 3.13Å
163P94.2Very high91Very high53 Ų5349 Ų4934%0.34427%0.268SS..Hα-helixtrans-53.6-30178.619.3-33.2000114.2Q29 L165 F166 V167Q29-P163 HydrophobicContact CB-CG 3.68Å; Q29-P163 HydrophobicContact CG-CG 4.34Å; P163-L165 PolarHBondContact O-N 2.97Å; P163-F166 PolarHBondContact O-N 2.86Å; P163-V167 PolarHBondContact O-N 3.03Å
164A95Very high91.7Very high0 Ų051.7 Ų51.70%028%0.282CS..Hα-helixtrans-64.1-28.3-178.400000113.2S24 L27 Q29 W30 G162 G168S24-A164 PolarHBondContact OG-O 3.47Å; L27-A164 HydrophobicContact CB-CB 3.73Å; L27-A164 HydrophobicContact CD1-CB 4.18Å; Q29-A164 WeakPolarHBondContact O-CB 3.38Å; Q29-A164 PolarHBondContact O-N 3.32Å; W30-A164 HydrophobicContact CG-CB 4.23Å; G162-A164 PolarHBondContact O-N 3.33Å; G162-A164 VanDerWaalsContact O-N 3.1Å; A164-G168 PolarHBondContact O-N 2.86Å
165L95.2Very high92.4Very high2 Ų248.2 Ų48.21%0.0126%0.26CS..Hα-helixtrans-66.7-45.5176-65.6176.6000110.6W30 V137 Y140 A141 F161 G162 P163 V167 G168 W169W30-L165 HydrophobicContact CD2-CD2 4.12Å; W30-L165 HydrophobicContact CE3-CD2 3.47Å; W30-L165 VanDerWaalsContact CE3-CD2 3.47Å; W30-L165 HydrophobicContact CZ3-CD2 3.86Å; W30-L165 WeakPolarHBondContact O-CD1 2.89Å; W30-L165 VanDerWaalsContact O-CG 3.28Å; W30-L165 WeakPolarHBondContact O-CG 3.3Å; V137-L165 HydrophobicContact CG1-CB 4.05Å; V137-L165 HydrophobicContact CG1-CD2 3.75Å; V137-L165 WeakPolarHBondContact CG1-O 3.43Å; Y140-L165 HydrophobicContact CD1-CD1 4.33Å; Y140-L165 HydrophobicContact CD1-CD2 3.89Å; Y140-L165 HydrophobicContact CG-CD2 4.39Å; A141-L165 HydrophobicContact CB-CD1 4.26Å; F161-L165 HydrophobicContact CB-CD1 4.03Å; F161-L165 HydrophobicContact CD1-CD1 3.7Å; F161-L165 HydrophobicContact CG-CD1 4.16Å; G162-L165 PolarHBondContact O-N 3.49Å; G162-L165 VanDerWaalsContact O-N 3.13Å; P163-L165 PolarHBondContact O-N 2.97Å; L165-V167 VanDerWaalsContact C-N 3.34Å; L165-V167 PolarHBondContact O-N 2.91Å; L165-G168 CarbonylContact O-C 3.56Å; L165-G168 WeakPolarHBondContact O-CA 3.49Å; L165-G168 PolarHBondContact O-N 3.39Å; L165-W169 PolarHBondContact O-N 2.97Å
166F96.4Very high93.3Very high124 Ų12446.3 Ų46.354%0.54425%0.248SC..Hα-helixtrans-63.4-40.3178.6-58.6-78000112F161 P163 G168 W169 A170F161-F166 HydrophobicContact CB-CE2 4.05Å; F161-F166 HydrophobicContact CB-CZ 4.08Å; F161-F166 HydrophobicContact CD2-CZ 4.49Å; P163-F166 PolarHBondContact O-N 2.86Å; F166-G168 VanDerWaalsContact C-N 3.3Å; F166-G168 PolarHBondContact O-N 3.27Å; F166-W169 PolarHBondContact O-N 3.06Å; F166-A170 WeakPolarHBondContact O-CB 3.16Å; F166-A170 PolarHBondContact O-N 3.16Å
167V96.8Very high94.3Very high53 Ų5346.1 Ų46.132%0.32125%0.247SC..Hα-helixtrans-60.3-43171.5178.40000110.4L27 P163 L165 A170 S171L27-V167 HydrophobicContact CD1-CG2 4.49Å; P163-V167 PolarHBondContact O-N 3.03Å; L165-V167 VanDerWaalsContact C-N 3.34Å; L165-V167 PolarHBondContact O-N 2.91Å; V167-A170 PolarHBondContact O-N 3.49Å; V167-S171 WeakPolarHBondContact O-CB 3.19Å; V167-S171 PolarHBondContact O-N 3.48Å; V167-S171 PolarHBondContact O-OG 3.16Å
168G97.3Very high95Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-56.4-51.4174.800000112.9S24 A164 L165 F166 A170 S171 A172S24-G168 WeakPolarHBondContact OG-CA 3.23Å; A164-G168 PolarHBondContact O-N 2.86Å; L165-G168 CarbonylContact O-C 3.56Å; L165-G168 WeakPolarHBondContact O-CA 3.49Å; L165-G168 PolarHBondContact O-N 3.39Å; F166-G168 VanDerWaalsContact C-N 3.3Å; F166-G168 PolarHBondContact O-N 3.27Å; G168-A170 PolarHBondContact O-N 2.86Å; G168-S171 WeakPolarHBondContact CA-OG 3.34Å; G168-S171 PolarHBondContact O-N 2.88Å; G168-S171 PolarHBondContact O-OG 3.29Å; G168-A172 WeakPolarHBondContact O-CB 3.47Å; G168-A172 PolarHBondContact O-N 3.02Å
169W98.1Very high95.5Very high106 Ų10640.9 Ų40.940%0.40222%0.217SC..Hα-helixtrans-59.7-47176.4-72.8109.2000113.1L134 V137 S138 L165 F166 S171 A172 G173L134-W169 HydrophobicContact CD1-CD2 4.32Å; L134-W169 HydrophobicContact CD1-CE3 3.19Å; L134-W169 HydrophobicContact CD1-CH2 4.44Å; L134-W169 HydrophobicContact CD1-CZ3 3.27Å; L134-W169 HydrophobicContact CG-CE3 4.22Å; L134-W169 HydrophobicContact CG-CZ3 3.85Å; V137-W169 HydrophobicContact CG1-CD2 4.23Å; V137-W169 HydrophobicContact CG1-CG 4.02Å; S138-W169 WeakPolarHBondContact OG-CH2 3.42Å; S138-W169 VanDerWaalsContact OG-CZ2 3.24Å; S138-W169 WeakPolarHBondContact OG-CZ2 3.48Å; S138-W169 WeakPolarHBondContact OG-CZ3 3.3Å; L165-W169 PolarHBondContact O-N 2.97Å; F166-W169 PolarHBondContact O-N 3.06Å; W169-S171 VanDerWaalsContact C-N 3.32Å; W169-S171 PolarHBondContact O-N 3.38Å; W169-A172 PolarHBondContact O-N 3.29Å; W169-G173 PolarHBondContact O-N 3.49Å
170A97.8Very high95.9Very high60 Ų6041.1 Ų41.150%0.49622%0.224SC..Hα-helixtrans-61.7-43.1177.700000111.2F166 V167 G168 G173 L174F166-A170 WeakPolarHBondContact O-CB 3.16Å; F166-A170 PolarHBondContact O-N 3.16Å; V167-A170 PolarHBondContact O-N 3.49Å; G168-A170 PolarHBondContact O-N 2.86Å; A170-G173 PolarHBondContact O-N 3.28Å; A170-L174 WeakPolarHBondContact O-CG 3.26Å; A170-L174 PolarHBondContact O-N 2.95Å
171S97.5Very high96Very high3 Ų339.8 Ų39.82%0.02122%0.217CC..Hα-helixtrans-64.9-40.9178.975.10000112.7G17 G20 I21 V167 G168 W169 L174 A175G17-S171 WeakPolarHBondContact CA-O 3.5Å; G17-S171 WeakPolarHBondContact O-CB 3.5Å; G20-S171 VanDerWaalsContact C-CB 3.44Å; I21-S171 WeakPolarHBondContact CG1-OG 3.41Å; V167-S171 WeakPolarHBondContact O-CB 3.19Å; V167-S171 PolarHBondContact O-N 3.48Å; V167-S171 PolarHBondContact O-OG 3.16Å; G168-S171 WeakPolarHBondContact CA-OG 3.34Å; G168-S171 PolarHBondContact O-N 2.88Å; G168-S171 PolarHBondContact O-OG 3.29Å; W169-S171 VanDerWaalsContact C-N 3.32Å; W169-S171 PolarHBondContact O-N 3.38Å; S171-L174 PolarHBondContact O-N 3.37Å; S171-A175 WeakPolarHBondContact O-CB 3.31Å; S171-A175 PolarHBondContact O-N 3Å
172A97.6Very high95.9Very high1 Ų135.5 Ų35.51%0.00820%0.198CC..Hα-helixtrans-62.4-45.317400000111.3G130 T133 L134 G168 W169 A175 V176G130-A172 WeakPolarHBondContact O-CB 3.39Å; T133-A172 HydrophobicContact CG2-CB 4.13Å; L134-A172 HydrophobicContact CB-CB 4.1Å; L134-A172 HydrophobicContact CD1-CB 3.85Å; G168-A172 WeakPolarHBondContact O-CB 3.47Å; G168-A172 PolarHBondContact O-N 3.02Å; W169-A172 PolarHBondContact O-N 3.29Å; A172-A175 PolarHBondContact O-N 3.32Å; A172-V176 VanDerWaalsContact O-CG2 3.32Å; A172-V176 WeakPolarHBondContact O-CG2 3.35Å; A172-V176 PolarHBondContact O-N 2.92Å
173G97.7Very high95.8Very high32 Ų3237 Ų3733%0.3321%0.208SC..Hα-helixtrans-59.4-47.3175.500000112.5W169 A170 V176 L177W169-G173 PolarHBondContact O-N 3.49Å; A170-G173 PolarHBondContact O-N 3.28Å; G173-V176 PolarHBondContact O-N 3.34Å; G173-L177 WeakPolarHBondContact O-CB 3.49Å; G173-L177 VanDerWaalsContact O-CG 3.26Å; G173-L177 WeakPolarHBondContact O-CG 3.35Å; G173-L177 PolarHBondContact O-N 3.33Å
174L97.6Very high95.3Very high65 Ų6538.6 Ų38.634%0.3422%0.22SC..Hα-helixtrans-62.7-42.4177-72.2174.9000112.5L13 A170 S171 G178L13-L174 HydrophobicContact CD2-CD2 3.86Å; A170-L174 WeakPolarHBondContact O-CG 3.26Å; A170-L174 PolarHBondContact O-N 2.95Å; S171-L174 PolarHBondContact O-N 3.37Å; L174-G178 PolarHBondContact O-N 3.44Å
175A97.5Very high94.1Very high1 Ų139.2 Ų39.21%0.00822%0.224CC..Hα-helixtrans-64.4-44177.900000112I21 S171 A172 G179I21-A175 HydrophobicContact CD1-CB 4.27Å; S171-A175 WeakPolarHBondContact O-CB 3.31Å; S171-A175 PolarHBondContact O-N 3Å; A172-A175 PolarHBondContact O-N 3.32Å; A175-G179 PolarHBondContact O-N 3.48Å
176V97.4Very high92.3Very high41 Ų4143.9 Ų43.925%0.24826%0.255CS..Hα-helixtrans-66.7-44.1177.4172.50000111.3A172 G173 S180A172-V176 VanDerWaalsContact O-CG2 3.32Å; A172-V176 WeakPolarHBondContact O-CG2 3.35Å; A172-V176 PolarHBondContact O-N 2.92Å; G173-V176 PolarHBondContact O-N 3.34Å; V176-S180 VanDerWaalsContact O-CB 3.3Å; V176-S180 WeakPolarHBondContact O-CB 3.49Å; V176-S180 PolarHBondContact O-N 3.47Å; V176-S180 PolarHBondContact O-OG 2.9Å
177L96.4Very high90.4Very high96 Ų9640.4 Ų40.450%0.50325%0.245SC..Hα-helixtrans-64.4-47.3177.5-73.1174.1000111.6G173 S180 F181G173-L177 WeakPolarHBondContact O-CB 3.49Å; G173-L177 VanDerWaalsContact O-CG 3.26Å; G173-L177 WeakPolarHBondContact O-CG 3.35Å; G173-L177 PolarHBondContact O-N 3.33Å; L177-S180 WeakPolarHBondContact O-CB 3.41Å; L177-S180 PolarHBondContact O-N 3.28Å; L177-F181 PolarHBondContact O-N 3.19Å
178G95.3Very high88.4Confident0 Ų045 Ų450%026%0.263CS..Hα-helixtrans-61.6-45.7177.100000112.3G10 L174 S180 F181 L182G10-G178 VanDerWaalsContact O-CA 3.24Å; G10-G178 WeakPolarHBondContact O-CA 3.08Å; L174-G178 PolarHBondContact O-N 3.44Å; G178-S180 VanDerWaalsContact C-N 3.33Å; G178-S180 PolarHBondContact O-N 2.99Å; G178-F181 PolarHBondContact O-N 3.05Å; G178-L182 WeakPolarHBondContact O-CG 3.42Å; G178-L182 PolarHBondContact O-N 3.38Å
179G95.3Very high86.2Confident0 Ų049.9 Ų49.90%030%0.295CS..Hα-helixtrans-62.1-38.5174.900000112.9G123 A175 L182 C183G123-G179 WeakPolarHBondContact O-CA 3.33Å; A175-G179 PolarHBondContact O-N 3.48Å; G179-L182 PolarHBondContact O-N 3.37Å; G179-C183 WeakPolarHBondContact O-CB 3.39Å; G179-C183 PolarHBondContact O-N 3.04Å; G179-C183 PolarHBondContact O-SG 2.98Å
180S94.1Very high83.7Confident41 Ų4152.2 Ų52.229%0.28731%0.31SS..Hα-helixtrans-62.7-45.7175.5-60.60000111.7V176 L177 G178 L182 C183 C184V176-S180 VanDerWaalsContact O-CB 3.3Å; V176-S180 WeakPolarHBondContact O-CB 3.49Å; V176-S180 PolarHBondContact O-N 3.47Å; V176-S180 PolarHBondContact O-OG 2.9Å; L177-S180 WeakPolarHBondContact O-CB 3.41Å; L177-S180 PolarHBondContact O-N 3.28Å; G178-S180 VanDerWaalsContact C-N 3.33Å; G178-S180 PolarHBondContact O-N 2.99Å; S180-L182 VanDerWaalsContact C-N 3.3Å; S180-L182 PolarHBondContact O-N 3.25Å; S180-C183 PolarHBondContact O-N 3.09Å; S180-C183 VanDerWaalsContact O-N 3.16Å; S180-C184 PolarHBondContact O-N 3.12Å; S180-C184 PolarHBondContact O-SG 3.21Å
181F92.7Very high81.1Confident67 Ų6758.8 Ų58.829%0.29432%0.322SS..Hα-helixtrans-63-35.2175.6-68.2-19.6000113.1L6 L9 L13 L177 G178L6-F181 HydrophobicContact CD1-CB 4.23Å; L6-F181 HydrophobicContact CD1-CD1 4.07Å; L6-F181 HydrophobicContact CD1-CD2 4.07Å; L6-F181 HydrophobicContact CD1-CE1 4.43Å; L6-F181 HydrophobicContact CD1-CE2 4.44Å; L6-F181 HydrophobicContact CD1-CG 3.87Å; L6-F181 HydrophobicContact CG-CB 4.38Å; L9-F181 HydrophobicContact CD2-CE2 4.23Å; L13-F181 HydrophobicContact CD1-CD2 3.79Å; L13-F181 HydrophobicContact CD1-CE2 3.62Å; L177-F181 PolarHBondContact O-N 3.19Å; G178-F181 PolarHBondContact O-N 3.05Å
182L91.2Very high78.4Confident1 Ų164.5 Ų64.51%0.00536%0.359CS..Hα-helixtrans-68.9-38.2172.7-68.4170.5000112Q7 A14 F126 G178 G179 S180 T185Q7-L182 HydrophobicContact CG-CD2 3.88Å; A14-L182 HydrophobicContact CB-CD1 4.35Å; F126-L182 HydrophobicContact CD2-CD1 3.86Å; F126-L182 HydrophobicContact CE2-CD1 4.1Å; G178-L182 WeakPolarHBondContact O-CG 3.42Å; G178-L182 PolarHBondContact O-N 3.38Å; G179-L182 PolarHBondContact O-N 3.37Å; S180-L182 VanDerWaalsContact C-N 3.3Å; S180-L182 PolarHBondContact O-N 3.25Å; L182-T185 PolarHBondContact O-N 2.97Å; L182-T185 PolarHBondContact O-OG1 3.02Å
183C90.2Very high75.8Confident32 Ų3271.2 Ų71.222%0.21640%0.395CS..Hα-helixtrans-69.5-33.5175.8-72.80000113.1A124 G179 S180 T185A124-C183 PolarHBondContact N-SG 3.47Å; G179-C183 WeakPolarHBondContact O-CB 3.39Å; G179-C183 PolarHBondContact O-N 3.04Å; G179-C183 PolarHBondContact O-SG 2.98Å; S180-C183 PolarHBondContact O-N 3.09Å; S180-C183 VanDerWaalsContact O-N 3.16Å; C183-T185 PolarHBondContact O-N 3.21Å
184C84.2Confident73.1Confident86 Ų8674.3 Ų74.358%0.58141%0.411SS*.THydrogen-bonded Turntrans-65.5-5.2176.9-68.30000113.4S180 C186S180-C184 PolarHBondContact O-N 3.12Å; S180-C184 PolarHBondContact O-SG 3.21Å; C184-C186 PolarHBondContact O-N 3.45Å
185T69.5Low70.4Confident13 Ų1375.6 Ų75.68%0.0843%0.426CS..  trans-79.564.4169.673.40000110.7A2 Q7 L182 C183 P187A2-T185 HydrophobicContact CB-CG2 3.73Å; Q7-T185 HydrophobicContact CB-CG2 4.3Å; Q7-T185 HydrophobicContact CG-CG2 4.25Å; L182-T185 PolarHBondContact O-N 2.97Å; L182-T185 PolarHBondContact O-OG1 3.02Å; C183-T185 PolarHBondContact O-N 3.21Å; T185-P187 WeakPolarHBondContact O-CD 3.48Å
186C58.6Low68Low100 Ų10081.6 Ų81.668%0.67647%0.465SS*.PPolyproline II helixtrans-64.6124.3172.8-64.20000109.3C184 E188C184-C186 PolarHBondContact O-N 3.45Å; C186-E188 PolarHBondContact O-N 3.29Å
187P56.6Low65.8Low51 Ų5187.6 Ų87.633%0.33149%0.49SS..PPolyproline II helixtrans-62.1118.8162.822.6-25.6000106.9I120 T185 P189I120-P187 HydrophobicContact CD1-CG 4.41Å; T185-P187 WeakPolarHBondContact O-CD 3.48Å; P187-P189 WeakPolarHBondContact O-CD 3.46Å
188E54.3Low63.8Low148 Ų14888.1 Ų88.169%0.69250%0.499SS*.PPolyproline II helixtrans-53124.1170-166.69268.500106.8C186 E190C186-E188 PolarHBondContact O-N 3.29Å; E188-E190 PolarHBondContact O-N 3.21Å
189P50.2Low61.4Low104 Ų10498 Ų9868%0.67554%0.538SS*.PPolyproline II helixtrans-53.6129.3169.2-18.429.1000107P187 R191P187-P189 WeakPolarHBondContact O-CD 3.46Å; P189-R191 VanDerWaalsContact C-N 3.34Å; P189-R191 PolarHBondContact O-N 2.79Å
190E46.4Very low59.3Low154 Ų154109.1 Ų109.172%0.7258%0.58SS**  trans-50107.6166.6-93.4172.3112.600106.7E188E188-E190 PolarHBondContact O-N 3.21Å
191R42.9Very low57.7Low198 Ų198111.8 Ų111.875%0.74760%0.597SS**  trans-55.5126157.8-67.2-176.8-177163.62.3103.6P189 N193P189-R191 VanDerWaalsContact C-N 3.34Å; P189-R191 PolarHBondContact O-N 2.79Å; R191-N193 PolarHBondContact O-N 3.01Å
192P40.6Very low56Low124 Ų124111.4 Ų111.481%0.80561%0.612SS**  trans-53.6110.1174.621.9-31.2000106S194P192-S194 PolarHBondContact O-N 2.78Å
193N42.2Very low54.3Low142 Ų142117.7 Ų117.776%0.75965%0.652SS**  trans-53.7119.5-179.7-94.5-26.4000106.7R191 S195R191-N193 PolarHBondContact O-N 3.01Å; N193-S195 PolarHBondContact O-N 2.89Å
194S41.5Very low52.4Low96 Ų96121.3 Ų121.367%0.67168%0.678SS**  trans16.9108.5145.455.40000114.8P192P192-S194 PolarHBondContact O-N 2.78Å
195S41.3Very low51Low92 Ų92122.4 Ų122.464%0.64369%0.693SS**  trans9.6128.5147.840.10000116.6N193 Q197N193-S195 PolarHBondContact O-N 2.89Å; S195-Q197 PolarHBondContact O-N 3.5Å
196P46.8Very low50Low128 Ų128125.4 Ų125.483%0.83172%0.72SS**  trans-56.5112.3164.2-8.921.7000107.2P198P196-P198 WeakPolarHBondContact O-CD 3.41Å; P196-P198 VanDerWaalsContact O-N 3.16Å
197Q51.3Low49.5Very low167 Ų167125.7 Ų125.778%0.7873%0.729SS**  trans-51.9122.2166.8-88.2-76.3-28.600107.1S195 Y199S195-Q197 PolarHBondContact O-N 3.5Å; Q197-Y199 PolarHBondContact O-N 3.19Å; Q197-Y199 VanDerWaalsContact O-N 3.1Å
198P54.1Low49.1Very low107 Ų107134.5 Ų134.570%0.69576%0.756SS**  trans-60.8121.4173.9-15.127.7000107.1P196 R200P196-P198 WeakPolarHBondContact O-CD 3.41Å; P196-P198 VanDerWaalsContact O-N 3.16Å; P198-R200 PolarHBondContact O-N 2.88Å
199Y45.4Very low49Very low207 Ų207135.8 Ų135.881%0.81276%0.762SS**  trans-48.1105.6168-178.3-94.5000108.3Q197 P201Q197-Y199 PolarHBondContact O-N 3.19Å; Q197-Y199 VanDerWaalsContact O-N 3.1Å; Y199-P201 HydrophobicContact CD1-CG 4.27Å; Y199-P201 HydrophobicContact CE1-CB 4.38Å; Y199-P201 HydrophobicContact CE1-CG 4.39Å; Y199-P201 VanDerWaalsContact O-CD 3.26Å; Y199-P201 WeakPolarHBondContact O-CD 3.26Å
200R51.1Low48.9Very low233 Ų233136.2 Ų136.288%0.87977%0.765SS**  trans-83.8108.5174.2-159.8176.9-168.4164.42.8105.8P198 G202P198-R200 PolarHBondContact O-N 2.88Å; R200-G202 PolarHBondContact O-N 3.1Å
201P59.8Low49.2Very low98 Ų98134.4 Ų134.464%0.63676%0.764SS**  trans-64.2124173.7-10.627000106.9Y199Y199-P201 HydrophobicContact CD1-CG 4.27Å; Y199-P201 HydrophobicContact CE1-CB 4.38Å; Y199-P201 HydrophobicContact CE1-CG 4.39Å; Y199-P201 VanDerWaalsContact O-CD 3.26Å; Y199-P201 WeakPolarHBondContact O-CD 3.26Å
202G56.9Low49.5Very low59 Ų59130.5 Ų130.561%0.60876%0.762SS**  trans-57155170.900000110.6R200 S204R200-G202 PolarHBondContact O-N 3.1Å; G202-S204 PolarHBondContact O-N 2.95Å
203P57.5Low49.8Very low132 Ų132133.3 Ų133.386%0.85776%0.761SS**  trans-62.8115.1179.213.6-8.8000108.8A205P203-A205 PolarHBondContact O-N 3.04Å
204S50.2Low50.3Low108 Ų108133.6 Ų133.676%0.75576%0.762SS**  trans-62.6107.6173.4-175.30000108.7G202 A206G202-S204 PolarHBondContact O-N 2.95Å; S204-A206 PolarHBondContact O-N 3.03Å
205A54Low50.8Low110 Ų110134.7 Ų134.791%0.90977%0.767SS**  trans-7540.7178.900000113.1P203P203-A205 PolarHBondContact O-N 3.04Å
206A49.2Very low50.9Low76 Ų76135.4 Ų135.463%0.62878%0.778SS**  trans-132.951.8-176.100000112.5S204 R208S204-A206 PolarHBondContact O-N 3.03Å; A206-R208 PolarHBondContact O-N 3.2Å
207A46.9Very low50.9Low106 Ų106134.6 Ų134.688%0.87678%0.776SS**  trans-75.184.5147.500000107.7
208R49.1Very low50.6Low235 Ų235131 Ų13189%0.88778%0.775SS**  trans-118.195.4160.6-94.3-176173.8165.4-0.8106.9A206A206-R208 PolarHBondContact O-N 3.2Å
209E52.5Low50.4Low175 Ų175136 Ų13682%0.81879%0.785SS**  trans-52.1134.7166.3-69.4177.8119.100109.8V211E209-V211 PolarHBondContact O-N 3.01Å
210P47.6Very low50.2Low114 Ų114129.6 Ų129.674%0.7478%0.783SS**  trans-78.6103.6166.231.2-27.1000107.5V212P210-V212 VanDerWaalsContact C-N 3.29Å; P210-V212 PolarHBondContact O-N 3.26Å
211V51.8Low49.9Very low115 Ų115124.1 Ų124.170%0.69778%0.777SS**  trans-65.695.2163.8178.50000107.3E209 K213E209-V211 PolarHBondContact O-N 3.01Å; V211-K213 HydrophobicContact CG1-CG 4.03Å; V211-K213 PolarHBondContact O-N 3.22Å
212V49.7Very low49.2Very low116 Ų116127.8 Ų127.870%0.70379%0.79SS**  trans-68.994.9167.4176.30000107.3P210 L214P210-V212 VanDerWaalsContact C-N 3.29Å; P210-V212 PolarHBondContact O-N 3.26Å; V212-L214 HydrophobicContact CG1-CD1 4.38Å; V212-L214 PolarHBondContact O-N 2.9Å
213K48Very low48.5Very low183 Ų183128 Ų12880%0.79679%0.793SS**  trans-74.4103.4166-71.5-174.9175.8-177.80107.9V211V211-K213 HydrophobicContact CG1-CG 4.03Å; V211-K213 PolarHBondContact O-N 3.22Å
214L52Low47.8Very low148 Ų148132.7 Ų132.778%0.77582%0.819SS**  trans-61.8137.1166.7-88.297.2000109.8V212 A216V212-L214 HydrophobicContact CG1-CD1 4.38Å; V212-L214 PolarHBondContact O-N 2.9Å; L214-A216 PolarHBondContact O-N 3.29Å
215P50.8Low47.7Very low120 Ų120133.9 Ų133.978%0.77982%0.822SS**  trans-74.3115173.729.3-30000109.6S217P215-S217 PolarHBondContact O-N 3.43Å
216A43.8Very low47.3Very low107 Ų107135.2 Ų135.288%0.88482%0.817SS**  trans-76.9110.3161.600000108.2L214L214-A216 PolarHBondContact O-N 3.29Å
217S46.3Very low47.2Very low111 Ų111138.4 Ų138.478%0.77683%0.828SS**  trans-144.995.5164.6-1610000111.3P215P215-S217 PolarHBondContact O-N 3.43Å
218A46.2Very low47.2Very low92 Ų92140.4 Ų140.476%0.7683%0.825SS**  trans37.7106.8131.700000120
219K49Very low47.1Very low211 Ų211134.4 Ų134.492%0.91782%0.821SS**  trans-149.7114.7131.2-76.2-175.2179.71750104.6
220G42.7Very low46.8Very low73 Ų73131.7 Ų131.775%0.75382%0.821SS**  95.813353.400000108.7
221P43.3Very low46.7Very low118 Ų118133 Ų13377%0.76683%0.827SS**  trans-111.8-164.4-131.635.5-21.3000115.1
222L44.9Very low46.3Very low174 Ų174134.4 Ų134.491%0.91184%0.837SS**  trans87.7132178.2-65.2104.1000114.4
223G42.7Very low46.1Very low65 Ų65135.9 Ų135.967%0.6785%0.848SS**  cis162.1147.47.300000107.6
224V43Very low45.9Very low229 Ų229131.6 Ų131.6100%1.38885%0.853SS**  trans760-178.6-164.90000115.7

Retrieved 224 of 224 residues in 546.4 ms (Link to these results)

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