CLD19_HUMAN Loading...

Claudin-19

Forms paracellular channels: coassembles with CLDN16 into tight junction strands with cation-selective channels through the strands, conveying epithelial permeability in a process known as paracellular tight junction permeability1,2. Involved in the maintenance of ion gradients along the nephron. In the thick ascending limb (TAL) of Henle's loop, facilitates sodium paracellular permeability from the interstitial compartment to the lumen, contributing to the lumen-positive transepithelial potential that drives paracellular magnesium and calcium reabsorption (By similarity)3,4. Forms paracellular barriers on its own. In the peripheral nervous system, represents a major constituent of the tight junctions in Schwann cells and contributes to electrical sealing. During retinal neurogenesis, may regulate the barrier properties of tight junctions in retinal pigment epithelium, required for proper retinal tissue differentiation and vision (By similarity)5,6.

AlphaFold DB , UniProt , Accession Q8N6F1, Species HUMAN (Homo sapiens, Human), 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 182 ms (Link to these results)