A0A060WKR2_ONCMY Loading...

Proline-serine-threonine phosphatase interacting protein 1a

AlphaFold DB , UniProt , Accession A0A060WKR2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110495782, Length 417 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
1M66.7Low92.7Very high239 Ų23991.8 Ų91.8100%1.17748%0.477SS*.  0126.30-164.2179.5-75.100106.7
2T88.3Confident92.4Very high119 Ų11996.6 Ų96.673%0.7351%0.513SS*.  trans-79.3126.6-177.9-490000109.2
3L94.6Very high92.5Very high141 Ų14197.9 Ų97.974%0.73852%0.52SS*.  trans-70.1130.7178.2-62174.5000110.1Q217L3-Q217 PolarHBondContact O-NE2 3.08Å; L3-Q217 VanDerWaalsContact O-NE2 3.11Å
4Q97.5Very high92.6Very high70 Ų7095.4 Ų95.433%0.32750%0.502SS..  trans-114.3147.7176.9-45.8-167.56.700111.4K6 D7 Q217Q4-K6 VanDerWaalsContact C-N 3.26Å; Q4-K6 HydrophobicContact CB-CG 4.16Å; Q4-K6 PolarHBondContact O-N 2.66Å; Q4-D7 VanDerWaalsContact CB-OD2 3.28Å; Q4-D7 WeakPolarHBondContact CB-OD2 3.43Å; Q4-D7 WeakPolarHBondContact CG-OD2 3.45Å; Q4-D7 PolarHBondContact O-N 3.47Å; Q4-D7 VanDerWaalsContact O-N 3.15Å; Q4-Q217 VanDerWaalsContact CA-OE1 3.31Å
5F98.1Very high92.7Very high38 Ų3894 Ų9417%0.16749%0.494CS..Hα-helixtrans-61.4-39.8-179.5-764.5000111.7D7 V8 F9 L23 C213 F216 Q217F5-D7 PolarHBondContact O-N 3.4Å; F5-D7 VanDerWaalsContact O-N 3.16Å; F5-V8 PolarHBondContact O-N 3.45Å; F5-F9 HydrophobicContact CB-CD2 3.9Å; F5-F9 HydrophobicContact CB-CE2 4.28Å; F5-F9 HydrophobicContact CD1-CD2 4.08Å; F5-F9 AromaticContact CD1-CE2 3.56Å; F5-F9 HydrophobicContact CD1-CE2 3.56Å; F5-F9 AromaticContact CE1-CE2 3.99Å; F5-F9 HydrophobicContact CE1-CE2 3.99Å; F5-F9 HydrophobicContact CG-CD2 4.04Å; F5-F9 AromaticContact CG-CE2 3.94Å; F5-F9 HydrophobicContact CG-CE2 3.94Å; F5-F9 WeakPolarHBondContact O-CD2 3.26Å; F5-F9 PolarHBondContact O-N 3.21Å; F5-L23 HydrophobicContact CB-CD1 4.49Å; F5-L23 HydrophobicContact CB-CD2 4.42Å; F5-L23 HydrophobicContact CD1-CD2 4.48Å; F5-L23 HydrophobicContact CD2-CD1 4.35Å; F5-L23 HydrophobicContact CD2-CD2 3.4Å; F5-L23 HydrophobicContact CE2-CD2 3.6Å; F5-L23 HydrophobicContact CG-CD2 3.88Å; F5-L23 HydrophobicContact CZ-CD2 4.23Å; F5-C213 HydrophobicContact CB-CB 3.86Å; F5-F216 HydrophobicContact CD2-CB 4.46Å; F5-Q217 HydrophobicContact CB-CB 4.27Å; F5-Q217 HydrophobicContact CD1-CB 4.35Å; F5-Q217 HydrophobicContact CD1-CG 4.1Å; F5-Q217 HydrophobicContact CD2-CB 3.59Å; F5-Q217 HydrophobicContact CD2-CG 4.17Å; F5-Q217 HydrophobicContact CE1-CG 4.25Å; F5-Q217 HydrophobicContact CE2-CB 3.97Å; F5-Q217 HydrophobicContact CE2-CG 4.31Å; F5-Q217 HydrophobicContact CG-CB 3.81Å; F5-Q217 HydrophobicContact CG-CG 4.08Å; F5-Q217 HydrophobicContact CZ-CG 4.35Å
6K97Very high92.7Very high48 Ų4889.9 Ų89.921%0.20948%0.476CS..Hα-helixtrans-63.2-21.5179.773.9-178.8-172.6-172.50113.5Q4 W10 E210 C213 E214Q4-K6 VanDerWaalsContact C-N 3.26Å; Q4-K6 HydrophobicContact CB-CG 4.16Å; Q4-K6 PolarHBondContact O-N 2.66Å; K6-W10 WeakPolarHBondContact O-CZ2 3.46Å; K6-W10 PolarHBondContact O-NE1 3.32Å; K6-E210 HydrophobicContact CB-CB 4.24Å; K6-E210 HydrophobicContact CB-CG 4.26Å; K6-C213 HydrophobicContact CB-CB 3.8Å; K6-E214 HydrophobicContact CD-CG 3.91Å; K6-E214 WeakPolarHBondContact CD-OE1 3.31Å; K6-E214 IonicContact NZ-OE1 3.7Å; K6-E214 PolarHBondContact NZ-OE1 3.07Å
7D96.6Very high92.8Very high91 Ų9186.4 Ų86.449%0.48746%0.457SS..Hα-helixtrans-86.1-22.2-176.5-57.8-32.5000112.3Q4 F5 W10Q4-D7 VanDerWaalsContact CB-OD2 3.28Å; Q4-D7 WeakPolarHBondContact CB-OD2 3.43Å; Q4-D7 WeakPolarHBondContact CG-OD2 3.45Å; Q4-D7 PolarHBondContact O-N 3.47Å; Q4-D7 VanDerWaalsContact O-N 3.15Å; F5-D7 PolarHBondContact O-N 3.4Å; F5-D7 VanDerWaalsContact O-N 3.16Å; D7-W10 PolarHBondContact O-NE1 3.39Å
8V96.3Very high92.9Very high86 Ų8686.2 Ų86.252%0.52146%0.46SS..Hα-helixtrans-126.9-25.1-166.8-59.30000115.3F5 W10F5-V8 PolarHBondContact O-N 3.45Å; V8-W10 PolarHBondContact O-N 3.48Å
9F97Very high93.1Very high59 Ų5982 Ų8226%0.25944%0.439SS..  trans-87.356.4-177.1-71.9-84.9000112.5F5 A22 L23 H209F5-F9 HydrophobicContact CB-CD2 3.9Å; F5-F9 HydrophobicContact CB-CE2 4.28Å; F5-F9 HydrophobicContact CD1-CD2 4.08Å; F5-F9 AromaticContact CD1-CE2 3.56Å; F5-F9 HydrophobicContact CD1-CE2 3.56Å; F5-F9 AromaticContact CE1-CE2 3.99Å; F5-F9 HydrophobicContact CE1-CE2 3.99Å; F5-F9 HydrophobicContact CG-CD2 4.04Å; F5-F9 AromaticContact CG-CE2 3.94Å; F5-F9 HydrophobicContact CG-CE2 3.94Å; F5-F9 WeakPolarHBondContact O-CD2 3.26Å; F5-F9 PolarHBondContact O-N 3.21Å; F9-A22 HydrophobicContact CD1-CB 4.35Å; F9-A22 HydrophobicContact CE1-CB 4.29Å; F9-L23 HydrophobicContact CB-CD1 3.91Å; F9-L23 HydrophobicContact CB-CG 4.15Å; F9-L23 HydrophobicContact CD1-CD2 3.86Å; F9-L23 HydrophobicContact CD1-CG 3.9Å; F9-L23 HydrophobicContact CD2-CD1 4.34Å; F9-L23 HydrophobicContact CD2-CD2 3.68Å; F9-L23 HydrophobicContact CD2-CG 4.21Å; F9-L23 HydrophobicContact CE1-CD2 3.88Å; F9-L23 HydrophobicContact CE1-CG 4.35Å; F9-L23 HydrophobicContact CE2-CD2 3.71Å; F9-L23 HydrophobicContact CG-CD1 4.04Å; F9-L23 HydrophobicContact CG-CD2 3.76Å; F9-L23 HydrophobicContact CG-CG 3.82Å; F9-L23 HydrophobicContact CZ-CD2 3.81Å; F9-H209 PolarHBondContact O-CE1 3.04Å; F9-H209 VanDerWaalsContact O-CE1 3.24Å; F9-H209 PolarHBondContact O-NE2 3.15Å
10W95.8Very high93.2Very high91 Ų9178.4 Ų78.435%0.34542%0.419SS..  trans-97.7172.2175-60.9102.7000112K6 D7 V8 W205 E206 H209 E210K6-W10 WeakPolarHBondContact O-CZ2 3.46Å; K6-W10 PolarHBondContact O-NE1 3.32Å; D7-W10 PolarHBondContact O-NE1 3.39Å; V8-W10 PolarHBondContact O-N 3.48Å; W10-W205 HydrophobicContact CE3-CH2 4.32Å; W10-W205 HydrophobicContact CE3-CZ3 4.08Å; W10-W205 HydrophobicContact CZ3-CH2 4.41Å; W10-W205 AromaticContact CZ3-CZ3 3.85Å; W10-W205 HydrophobicContact CZ3-CZ3 3.85Å; W10-E206 HydrophobicContact CZ3-CG 4.25Å; W10-H209 AromaticContact CE3-CD2 3.67Å; W10-H209 AromaticContact CH2-CD2 3.77Å; W10-H209 HydrophobicContact CZ3-CB 4.43Å; W10-H209 AromaticContact CZ3-CD2 3.41Å; W10-H209 VanDerWaalsContact CZ3-CD2 3.41Å; W10-H209 WeakPolarHBondContact CZ3-CD2 3.4Å; W10-E210 HydrophobicContact CH2-CG 3.78Å; W10-E210 HydrophobicContact CZ2-CG 3.99Å
11G91.6Very high93.4Very high28 Ų2879.9 Ų79.929%0.28942%0.424SS..  trans-118.3142.717000000110.6
12V89.9Confident94.9Very high149 Ų14970.7 Ų70.790%0.90339%0.386SS*.SBendtrans-72.3-43.9180-178.70000111.2
13D93.7Very high95.3Very high114 Ų11465.1 Ų65.161%0.6135%0.351SS*.SBendtrans-79.7142.3178-56-49000111.3I15 S16D13-I15 PolarHBondContact O-N 2.97Å; D13-I15 VanDerWaalsContact O-N 3.11Å; D13-S16 VanDerWaalsContact O-CB 3.23Å; D13-S16 WeakPolarHBondContact O-CB 3.38Å; D13-S16 PolarHBondContact O-N 3.31Å
14F93.3Very high95.5Very high62 Ų6259.6 Ų59.627%0.27232%0.322SS..THydrogen-bonded Turntrans-52.9-40-177-171.7-84.5000113.3K128 Y132 L198 R202F14-K128 HydrophobicContact CE1-CD 4.35Å; F14-K128 HydrophobicContact CE1-CG 3.75Å; F14-K128 HydrophobicContact CZ-CG 4.35Å; F14-K128 WeakPolarHBondContact O-CE 3.45Å; F14-K128 PolarHBondContact O-NZ 3Å; F14-Y132 HydrophobicContact CB-CD2 4.26Å; F14-Y132 HydrophobicContact CB-CE2 4Å; F14-Y132 AromaticContact CD1-CD2 3.28Å; F14-Y132 HydrophobicContact CD1-CD2 3.28Å; F14-Y132 AromaticContact CD1-CE2 3.92Å; F14-Y132 HydrophobicContact CD1-CE2 3.92Å; F14-Y132 AromaticContact CD1-CG 3.81Å; F14-Y132 HydrophobicContact CD1-CG 3.81Å; F14-Y132 AromaticContact CE1-CD2 3.72Å; F14-Y132 HydrophobicContact CE1-CD2 3.72Å; F14-Y132 HydrophobicContact CE1-CG 4.17Å; F14-Y132 AromaticContact CG-CD2 3.81Å; F14-Y132 HydrophobicContact CG-CD2 3.81Å; F14-Y132 AromaticContact CG-CE2 4Å; F14-Y132 HydrophobicContact CG-CE2 4Å; F14-L198 HydrophobicContact CE1-CD1 3.63Å; F14-L198 HydrophobicContact CE1-CD2 4.46Å; F14-L198 HydrophobicContact CE1-CG 4.28Å; F14-L198 HydrophobicContact CZ-CD1 3.56Å; F14-L198 HydrophobicContact CZ-CD2 4.14Å; F14-L198 HydrophobicContact CZ-CG 3.78Å; F14-R202 HydrophobicContact CE2-CB 4.33Å; F14-R202 HydrophobicContact CE2-CG 4.07Å; F14-R202 HydrophobicContact CZ-CB 4.15Å; F14-R202 HydrophobicContact CZ-CG 4.32Å
15I93.7Very high95.5Very high75 Ų7561 Ų6139%0.38533%0.329SS..THydrogen-bonded Turntrans-92.8-0.3-179.560.4170.9000113.5D13 Q125 V129 Y132D13-I15 PolarHBondContact O-N 2.97Å; D13-I15 VanDerWaalsContact O-N 3.11Å; I15-Q125 PolarHBondContact O-NE2 3.31Å; I15-V129 HydrophobicContact CB-CG2 4.13Å; I15-V129 HydrophobicContact CG2-CG2 4.14Å; I15-Y132 HydrophobicContact CG2-CD1 3.43Å; I15-Y132 VanDerWaalsContact CG2-CD1 3.43Å; I15-Y132 HydrophobicContact CG2-CD2 4.41Å; I15-Y132 HydrophobicContact CG2-CE1 3.95Å; I15-Y132 HydrophobicContact CG2-CG 3.69Å
16S93.7Very high95.5Very high28 Ų2863.4 Ų63.420%0.19634%0.337CS..  trans-68.4149.7178.8-176.70000111.4D13 V18D13-S16 VanDerWaalsContact O-CB 3.23Å; D13-S16 WeakPolarHBondContact O-CB 3.38Å; D13-S16 PolarHBondContact O-N 3.31Å; S16-V18 PolarHBondContact OG-N 3.41Å
17N93.4Very high95.5Very high30 Ų3061.2 Ų61.216%0.1633%0.328CS..  trans-131.17.9-178.1-17637.2000111.8G19 Y20 E21N17-G19 VanDerWaalsContact C-N 3.31Å; N17-G19 PolarHBondContact O-N 3.32Å; N17-Y20 PolarHBondContact O-N 3.07Å; N17-Y20 VanDerWaalsContact O-N 3.12Å; N17-Y20 VanDerWaalsContact OD1-CB 3.3Å; N17-Y20 WeakPolarHBondContact OD1-CB 3.46Å; N17-Y20 WeakPolarHBondContact OD1-CD1 3.36Å; N17-E21 WeakPolarHBondContact ND2-CG 3.42Å; N17-E21 PolarHBondContact ND2-OE1 3.39Å; N17-E21 PolarHBondContact O-N 2.96Å
18V95.9Very high95.5Very high83 Ų8358.8 Ų58.850%0.50332%0.317SS..Hα-helixtrans-59.7-38.2-166.667.40000113.4S16 E21 A22S16-V18 PolarHBondContact OG-N 3.41Å; V18-E21 PolarHBondContact O-N 3Å; V18-A22 PolarHBondContact O-N 2.97Å
19G95.8Very high95.6Very high7 Ų758.2 Ų58.27%0.07231%0.309CS..Hα-helixtrans-62.7-44.6178.100000112.3N17 A22 L23N17-G19 VanDerWaalsContact C-N 3.31Å; N17-G19 PolarHBondContact O-N 3.32Å; G19-A22 PolarHBondContact O-N 3.48Å; G19-L23 WeakPolarHBondContact O-CG 3.35Å; G19-L23 PolarHBondContact O-N 3Å
20Y95.9Very high95.7Very high10 Ų1055.4 Ų55.44%0.03930%0.296CS..Hα-helixtrans-68.5-38.7176166.1-93.4000112.3N17 A22 L23 I24 E118 M121 T212 F216N17-Y20 PolarHBondContact O-N 3.07Å; N17-Y20 VanDerWaalsContact O-N 3.12Å; N17-Y20 VanDerWaalsContact OD1-CB 3.3Å; N17-Y20 WeakPolarHBondContact OD1-CB 3.46Å; N17-Y20 WeakPolarHBondContact OD1-CD1 3.36Å; Y20-A22 VanDerWaalsContact C-N 3.32Å; Y20-A22 PolarHBondContact O-N 2.63Å; Y20-L23 WeakPolarHBondContact O-CB 3.42Å; Y20-L23 PolarHBondContact O-N 3.44Å; Y20-L23 VanDerWaalsContact O-N 3.15Å; Y20-I24 HydrophobicContact CD1-CG1 4.22Å; Y20-I24 HydrophobicContact CD2-CG1 4.29Å; Y20-I24 HydrophobicContact CE1-CD1 4.47Å; Y20-I24 HydrophobicContact CE1-CG1 3.75Å; Y20-I24 HydrophobicContact CE2-CD1 3.89Å; Y20-I24 HydrophobicContact CE2-CG1 3.79Å; Y20-I24 WeakPolarHBondContact O-CG1 3.42Å; Y20-I24 PolarHBondContact O-N 3.46Å; Y20-E118 VanDerWaalsContact OH-CA 3.25Å; Y20-E118 WeakPolarHBondContact OH-CA 3.22Å; Y20-E118 WeakPolarHBondContact OH-CG 2.92Å; Y20-M121 HydrophobicContact CD1-CG 4.37Å; Y20-M121 HydrophobicContact CD2-CB 4.48Å; Y20-M121 HydrophobicContact CD2-CE 4.4Å; Y20-M121 HydrophobicContact CD2-CG 3.75Å; Y20-M121 HydrophobicContact CE1-CG 4.17Å; Y20-M121 HydrophobicContact CE2-CB 3.8Å; Y20-M121 HydrophobicContact CE2-CG 3.54Å; Y20-M121 HydrophobicContact CG-CE 4.4Å; Y20-M121 HydrophobicContact CG-CG 4.15Å; Y20-T212 HydrophobicContact CE2-CG2 4.35Å; Y20-F216 HydrophobicContact CD2-CE2 4.27Å; Y20-F216 AromaticContact CE2-CE2 3.86Å; Y20-F216 HydrophobicContact CE2-CE2 3.86Å; Y20-F216 HydrophobicContact CE2-CZ 4.36Å
21E96.4Very high95.7Very high109 Ų10954 Ų5451%0.50929%0.291SS..Hα-helixtrans-59.9-42174.8-73.8170.5-168.400112N17 V18 L23 I24 Q25N17-E21 WeakPolarHBondContact ND2-CG 3.42Å; N17-E21 PolarHBondContact ND2-OE1 3.39Å; N17-E21 PolarHBondContact O-N 2.96Å; V18-E21 PolarHBondContact O-N 3Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3Å; E21-I24 PolarHBondContact O-N 2.95Å; E21-Q25 WeakPolarHBondContact O-CB 3.38Å; E21-Q25 PolarHBondContact O-N 2.66Å
22A97.8Very high96.1Very high46 Ų4659.5 Ų59.538%0.3830%0.303SS..Hα-helixtrans-60.9-41.5174.400000112.1F9 V18 G19 Y20 Q25 R26F9-A22 HydrophobicContact CD1-CB 4.35Å; F9-A22 HydrophobicContact CE1-CB 4.29Å; V18-A22 PolarHBondContact O-N 2.97Å; G19-A22 PolarHBondContact O-N 3.48Å; Y20-A22 VanDerWaalsContact C-N 3.32Å; Y20-A22 PolarHBondContact O-N 2.63Å; A22-Q25 PolarHBondContact O-N 2.89Å; A22-R26 WeakPolarHBondContact O-CB 3.44Å; A22-R26 PolarHBondContact O-N 3.43Å
23L97.9Very high96.4Very high2 Ų256.7 Ų56.71%0.0128%0.281CS..Hα-helixtrans-65.2-43.6176.5-67.9179.2000112.4F5 F9 G19 Y20 E21 Q25 R26 L27 C213 F216F5-L23 HydrophobicContact CB-CD1 4.49Å; F5-L23 HydrophobicContact CB-CD2 4.42Å; F5-L23 HydrophobicContact CD1-CD2 4.48Å; F5-L23 HydrophobicContact CD2-CD1 4.35Å; F5-L23 HydrophobicContact CD2-CD2 3.4Å; F5-L23 HydrophobicContact CE2-CD2 3.6Å; F5-L23 HydrophobicContact CG-CD2 3.88Å; F5-L23 HydrophobicContact CZ-CD2 4.23Å; F9-L23 HydrophobicContact CB-CD1 3.91Å; F9-L23 HydrophobicContact CB-CG 4.15Å; F9-L23 HydrophobicContact CD1-CD2 3.86Å; F9-L23 HydrophobicContact CD1-CG 3.9Å; F9-L23 HydrophobicContact CD2-CD1 4.34Å; F9-L23 HydrophobicContact CD2-CD2 3.68Å; F9-L23 HydrophobicContact CD2-CG 4.21Å; F9-L23 HydrophobicContact CE1-CD2 3.88Å; F9-L23 HydrophobicContact CE1-CG 4.35Å; F9-L23 HydrophobicContact CE2-CD2 3.71Å; F9-L23 HydrophobicContact CG-CD1 4.04Å; F9-L23 HydrophobicContact CG-CD2 3.76Å; F9-L23 HydrophobicContact CG-CG 3.82Å; F9-L23 HydrophobicContact CZ-CD2 3.81Å; G19-L23 WeakPolarHBondContact O-CG 3.35Å; G19-L23 PolarHBondContact O-N 3Å; Y20-L23 WeakPolarHBondContact O-CB 3.42Å; Y20-L23 PolarHBondContact O-N 3.44Å; Y20-L23 VanDerWaalsContact O-N 3.15Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 3.43Å; L23-R26 PolarHBondContact O-N 2.99Å; L23-L27 WeakPolarHBondContact O-CG 3.2Å; L23-L27 PolarHBondContact O-N 3.2Å; L23-C213 VanDerWaalsContact CD1-SG 3.58Å; L23-F216 HydrophobicContact CB-CD2 4.13Å; L23-F216 HydrophobicContact CD1-CD2 4.45Å
24I97.5Very high96.7Very high25 Ų2551.2 Ų51.213%0.12825%0.252CS..Hα-helixtrans-62.8-42.9176.9-69.4-64.8000111.1Y20 E21 R26 L27 C28 R114 E118 F216Y20-I24 HydrophobicContact CD1-CG1 4.22Å; Y20-I24 HydrophobicContact CD2-CG1 4.29Å; Y20-I24 HydrophobicContact CE1-CD1 4.47Å; Y20-I24 HydrophobicContact CE1-CG1 3.75Å; Y20-I24 HydrophobicContact CE2-CD1 3.89Å; Y20-I24 HydrophobicContact CE2-CG1 3.79Å; Y20-I24 WeakPolarHBondContact O-CG1 3.42Å; Y20-I24 PolarHBondContact O-N 3.46Å; E21-I24 PolarHBondContact O-N 2.95Å; I24-R26 VanDerWaalsContact C-N 3.35Å; I24-R26 PolarHBondContact O-N 2.76Å; I24-L27 PolarHBondContact O-N 2.93Å; I24-C28 WeakPolarHBondContact O-CB 3.32Å; I24-C28 PolarHBondContact O-N 2.91Å; I24-C28 PolarHBondContact O-SG 2.95Å; I24-R114 HydrophobicContact CD1-CG 4.33Å; I24-E118 HydrophobicContact CD1-CG 4.5Å; I24-F216 HydrophobicContact CD1-CE2 3.57Å; I24-F216 HydrophobicContact CD1-CZ 3.69Å; I24-F216 HydrophobicContact CG1-CE2 4.34Å
25Q97.7Very high96.9Very high99 Ų9951.7 Ų51.746%0.46325%0.254SS..Hα-helixtrans-58.7-48.4175.8179.960.724.800110.7E21 A22 L23 L27 C28 E29E21-Q25 WeakPolarHBondContact O-CB 3.38Å; E21-Q25 PolarHBondContact O-N 2.66Å; A22-Q25 PolarHBondContact O-N 2.89Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 3.43Å; Q25-L27 PolarHBondContact O-N 3.09Å; Q25-C28 WeakPolarHBondContact O-CB 3.5Å; Q25-C28 PolarHBondContact O-N 3.25Å; Q25-C28 VanDerWaalsContact O-N 3.12Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.43Å; Q25-E29 PolarHBondContact NE2-OE1 2.92Å; Q25-E29 WeakPolarHBondContact O-CG 3.3Å; Q25-E29 PolarHBondContact O-N 3.46Å
26R97.9Very high97.1Very high89 Ų8952.2 Ų52.234%0.33626%0.257SS..Hα-helixtrans-57.6-45.3177.8177.164.9-154.6132.9-3.4112.5A22 L23 I24 C28 E29 G30 E220A22-R26 WeakPolarHBondContact O-CB 3.44Å; A22-R26 PolarHBondContact O-N 3.43Å; L23-R26 PolarHBondContact O-N 2.99Å; I24-R26 VanDerWaalsContact C-N 3.35Å; I24-R26 PolarHBondContact O-N 2.76Å; R26-C28 VanDerWaalsContact C-N 3.33Å; R26-C28 PolarHBondContact O-N 2.95Å; R26-E29 IonicContact NH1-OE2 3.43Å; R26-E29 PolarHBondContact O-N 3.46Å; R26-G30 PolarHBondContact O-N 3.46Å; R26-E220 IonicContact CZ-OE1 2.79Å; R26-E220 IonicContact NE-OE1 3.8Å; R26-E220 PolarHBondContact NE-OE1 3.45Å; R26-E220 IonicContact NH2-OE1 2.83Å; R26-E220 PolarHBondContact NH2-OE1 2.86Å
27L97.6Very high97.3Very high3 Ų351.5 Ų51.52%0.01625%0.251CS..Hα-helixtrans-67.9-32.8177.8-69.6172.4000112.6L23 I24 Q25 R31 R114 F216 Q219L23-L27 WeakPolarHBondContact O-CG 3.2Å; L23-L27 PolarHBondContact O-N 3.2Å; I24-L27 PolarHBondContact O-N 2.93Å; Q25-L27 PolarHBondContact O-N 3.09Å; L27-R31 WeakPolarHBondContact O-CB 3.26Å; L27-R31 PolarHBondContact O-N 3.3Å; L27-R114 HydrophobicContact CD1-CG 4.04Å; L27-R114 PolarHBondContact O-NH1 3.36Å; L27-F216 HydrophobicContact CD1-CB 3.89Å; L27-F216 HydrophobicContact CD1-CD1 3.58Å; L27-F216 HydrophobicContact CD1-CD2 3.64Å; L27-F216 HydrophobicContact CD1-CE1 3.91Å; L27-F216 HydrophobicContact CD1-CE2 3.97Å; L27-F216 HydrophobicContact CD1-CG 3.43Å; L27-F216 VanDerWaalsContact CD1-CG 3.43Å; L27-F216 HydrophobicContact CD1-CZ 4.1Å; L27-Q219 HydrophobicContact CD2-CB 4.26Å
28C97.5Very high97.6Very high39 Ų3950.5 Ų50.526%0.26425%0.246SC..Hα-helixtrans-67.1-42.8173.7-74.60000112I24 Q25 R26 R31 R32 R114I24-C28 WeakPolarHBondContact O-CB 3.32Å; I24-C28 PolarHBondContact O-N 2.91Å; I24-C28 PolarHBondContact O-SG 2.95Å; Q25-C28 WeakPolarHBondContact O-CB 3.5Å; Q25-C28 PolarHBondContact O-N 3.25Å; Q25-C28 VanDerWaalsContact O-N 3.12Å; R26-C28 VanDerWaalsContact C-N 3.33Å; R26-C28 PolarHBondContact O-N 2.95Å; C28-R31 PolarHBondContact O-N 3.04Å; C28-R32 PolarHBondContact O-N 3.29Å; C28-R32 VanDerWaalsContact O-N 3.07Å; C28-R114 VanDerWaalsContact SG-CZ 3.56Å
29E98.3Very high97.7Very high74 Ų7449.4 Ų49.435%0.34624%0.235SC..Hα-helixtrans-63.8-43.8173.3-70.4168.1-176.900111.9Q25 R26 R31 R32 M33Q25-E29 WeakPolarHBondContact CG-OE1 3.43Å; Q25-E29 PolarHBondContact NE2-OE1 2.92Å; Q25-E29 WeakPolarHBondContact O-CG 3.3Å; Q25-E29 PolarHBondContact O-N 3.46Å; R26-E29 IonicContact NH1-OE2 3.43Å; R26-E29 PolarHBondContact O-N 3.46Å; E29-R31 VanDerWaalsContact C-N 3.28Å; E29-R31 PolarHBondContact O-N 3.46Å; E29-R32 WeakPolarHBondContact O-CB 3.31Å; E29-R32 PolarHBondContact O-N 3.18Å; E29-M33 PolarHBondContact O-N 3.35Å
30G98.1Very high97.8Very high0 Ų053 Ų530%025%0.252CS..Hα-helixtrans-56.4-43.2174.400000112.3R26 R32 M33 C34R26-G30 PolarHBondContact O-N 3.46Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.45Å; G30-M33 WeakPolarHBondContact O-CB 3.47Å; G30-M33 PolarHBondContact O-N 2.95Å; G30-C34 PolarHBondContact O-N 3.38Å; G30-C34 VanDerWaalsContact O-N 3.15Å
31R97.2Very high97.9Very high61 Ų6152.7 Ų52.723%0.2325%0.251CS..Hα-helixtrans-63.2-38.6175.2-169.6-174.7174.3-129.2-5.8112.4L27 C28 E29 C34 K35 R107 E108L27-R31 WeakPolarHBondContact O-CB 3.26Å; L27-R31 PolarHBondContact O-N 3.3Å; C28-R31 PolarHBondContact O-N 3.04Å; E29-R31 VanDerWaalsContact C-N 3.28Å; E29-R31 PolarHBondContact O-N 3.46Å; R31-C34 PolarHBondContact O-N 2.9Å; R31-K35 PolarHBondContact O-N 3.4Å; R31-R107 HydrophobicContact CG-CG 3.46Å; R31-R107 VanDerWaalsContact CG-CG 3.46Å; R31-E108 IonicContact CZ-OE1 3.77Å; R31-E108 IonicContact NE-OE1 3.56Å; R31-E108 IonicContact NH2-OE1 2.71Å; R31-E108 PolarHBondContact NH2-OE1 3.09Å; R31-E108 IonicContact NH2-OE2 3.36Å; R31-E108 PolarHBondContact NH2-OE2 3.05Å
32R98.1Very high98Very high144 Ų14452.8 Ų52.854%0.54325%0.25SC..Hα-helixtrans-62.4-45.7176-169.2-177.4-61.4127.61.4110.5C28 E29 G30 C34 K35 D36C28-R32 PolarHBondContact O-N 3.29Å; C28-R32 VanDerWaalsContact O-N 3.07Å; E29-R32 WeakPolarHBondContact O-CB 3.31Å; E29-R32 PolarHBondContact O-N 3.18Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.45Å; R32-C34 VanDerWaalsContact C-N 3.29Å; R32-C34 PolarHBondContact O-N 3Å; R32-K35 CarbonylContact O-C 3.58Å; R32-K35 WeakPolarHBondContact O-CA 3.46Å; R32-K35 VanDerWaalsContact O-CB 3.32Å; R32-K35 WeakPolarHBondContact O-CB 3.46Å; R32-K35 PolarHBondContact O-N 3.21Å; R32-D36 PolarHBondContact O-N 3.42Å
33M98.1Very high98.1Very high90 Ų9056.6 Ų56.644%0.44326%0.261SS..Hα-helixtrans-57.9-39.3175.7-173.664.4-144.300112.8E29 G30 K35 D36 M37 L227E29-M33 PolarHBondContact O-N 3.35Å; G30-M33 WeakPolarHBondContact O-CB 3.47Å; G30-M33 PolarHBondContact O-N 2.95Å; M33-K35 VanDerWaalsContact C-N 3.28Å; M33-K35 PolarHBondContact O-N 3.29Å; M33-D36 PolarHBondContact O-N 3.36Å; M33-M37 PolarHBondContact O-N 2.92Å; M33-L227 HydrophobicContact CG-CD1 4.02Å
34C98.3Very high98.1Very high0 Ų061.2 Ų61.20%028%0.279CS..Hα-helixtrans-64.1-32.6173.5-680000112.8G30 R31 R32 E38 M103 R107G30-C34 PolarHBondContact O-N 3.38Å; G30-C34 VanDerWaalsContact O-N 3.15Å; R31-C34 PolarHBondContact O-N 2.9Å; R32-C34 VanDerWaalsContact C-N 3.29Å; R32-C34 PolarHBondContact O-N 3Å; C34-E38 WeakPolarHBondContact O-CB 3.23Å; C34-E38 PolarHBondContact O-N 2.86Å; C34-E38 VanDerWaalsContact O-N 3.11Å; C34-M103 HydrophobicContact CB-SD 3.99Å; C34-M103 WeakPolarHBondContact O-CG 3.35Å; C34-R107 HydrophobicContact CB-CB 4.38Å; C34-R107 HydrophobicContact CB-CG 4.35Å
35K98.3Very high98.2Very high72 Ų7260.1 Ų60.131%0.31327%0.273SS..Hα-helixtrans-72.2-39.3174.1-178.660.9-173167.40111.4R31 R32 M33 E38 E39R31-K35 PolarHBondContact O-N 3.4Å; R32-K35 CarbonylContact O-C 3.58Å; R32-K35 WeakPolarHBondContact O-CA 3.46Å; R32-K35 VanDerWaalsContact O-CB 3.32Å; R32-K35 WeakPolarHBondContact O-CB 3.46Å; R32-K35 PolarHBondContact O-N 3.21Å; M33-K35 VanDerWaalsContact C-N 3.28Å; M33-K35 PolarHBondContact O-N 3.29Å; K35-E38 IonicContact NZ-OE1 2.7Å; K35-E38 PolarHBondContact NZ-OE1 2.99Å; K35-E38 WeakPolarHBondContact O-CB 3.41Å; K35-E38 PolarHBondContact O-N 2.93Å; K35-E39 VanDerWaalsContact CE-OE1 3.24Å; K35-E39 WeakPolarHBondContact CE-OE1 3.35Å; K35-E39 IonicContact NZ-OE1 2.71Å; K35-E39 PolarHBondContact NZ-OE1 2.93Å; K35-E39 PolarHBondContact O-N 3.03Å
36D98.4Very high98.2Very high85 Ų8558 Ų5846%0.45527%0.269SS..Hα-helixtrans-63.6-42.9176.6-58.6-26.8000110.9R32 M33 E38 E39 L40R32-D36 PolarHBondContact O-N 3.42Å; M33-D36 PolarHBondContact O-N 3.36Å; D36-E38 PolarHBondContact O-N 3.22Å; D36-E39 PolarHBondContact O-N 3.32Å; D36-L40 PolarHBondContact O-N 2.89Å
37M98.1Very high98.2Very high13 Ų1355.5 Ų55.56%0.06427%0.267CS..Hα-helixtrans-63.1-39.4173.9-173.461.8-176.200112.4M33 L40 L41 M103 L227 A230 I231M33-M37 PolarHBondContact O-N 2.92Å; M37-L40 PolarHBondContact O-N 3.47Å; M37-L41 HydrophobicContact CE-CD1 4.16Å; M37-L41 HydrophobicContact CE-CD2 4.02Å; M37-L41 HydrophobicContact CE-CG 4.02Å; M37-L41 HydrophobicContact CG-CD1 4.4Å; M37-L41 WeakPolarHBondContact O-CG 3.17Å; M37-L41 PolarHBondContact O-N 3.03Å; M37-M103 HydrophobicContact CG-CE 4.09Å; M37-L227 HydrophobicContact CB-CD2 3.81Å; M37-L227 HydrophobicContact CG-CD2 3.9Å; M37-A230 HydrophobicContact CE-CB 4.12Å; M37-I231 HydrophobicContact CE-CG1 3.94Å
38E97.8Very high98.3Very high9 Ų956 Ų564%0.04227%0.27CS..Hα-helixtrans-59.8-48.3174.3-176.7-165.3104.400111.6C34 K35 D36 L40 L41 K42 V100 M103 E104 R107C34-E38 WeakPolarHBondContact O-CB 3.23Å; C34-E38 PolarHBondContact O-N 2.86Å; C34-E38 VanDerWaalsContact O-N 3.11Å; K35-E38 IonicContact NZ-OE1 2.7Å; K35-E38 PolarHBondContact NZ-OE1 2.99Å; K35-E38 WeakPolarHBondContact O-CB 3.41Å; K35-E38 PolarHBondContact O-N 2.93Å; D36-E38 PolarHBondContact O-N 3.22Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.28Å; E38-L41 PolarHBondContact O-N 3.49Å; E38-K42 WeakPolarHBondContact O-CB 3.48Å; E38-K42 PolarHBondContact O-N 3.45Å; E38-V100 HydrophobicContact CG-CG1 3.69Å; E38-M103 HydrophobicContact CB-CG 4.24Å; E38-E104 WeakPolarHBondContact OE2-CB 3.45Å; E38-R107 IonicContact OE1-NH2 2.67Å; E38-R107 IonicContact OE2-CZ 2.72Å; E38-R107 IonicContact OE2-NH1 2.74Å; E38-R107 PolarHBondContact OE2-NH1 3.44Å; E38-R107 IonicContact OE2-NH2 3.71Å; E38-R107 PolarHBondContact OE2-NH2 3.49Å
39E98.5Very high98.3Very high61 Ų6156.3 Ų56.329%0.28527%0.267SS..Hα-helixtrans-65.6-37.6179.6-69.5-61.8159.700111.7K35 D36 K42 M43K35-E39 VanDerWaalsContact CE-OE1 3.24Å; K35-E39 WeakPolarHBondContact CE-OE1 3.35Å; K35-E39 IonicContact NZ-OE1 2.71Å; K35-E39 PolarHBondContact NZ-OE1 2.93Å; K35-E39 PolarHBondContact O-N 3.03Å; D36-E39 PolarHBondContact O-N 3.32Å; E39-K42 PolarHBondContact O-N 3.4Å; E39-K42 IonicContact OE2-NZ 3.69Å; E39-M43 WeakPolarHBondContact O-CB 3.44Å; E39-M43 WeakPolarHBondContact O-CG 3.41Å; E39-M43 PolarHBondContact O-N 3.4Å
40L98.5Very high98.4Very high82 Ų8260.5 Ų60.543%0.42928%0.28SS..Hα-helixtrans-57.1-52.4172.4-178156.8000111.2D36 M37 E38 K42 M43 R44D36-L40 PolarHBondContact O-N 2.89Å; M37-L40 PolarHBondContact O-N 3.47Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.28Å; L40-K42 VanDerWaalsContact C-N 3.27Å; L40-K42 PolarHBondContact O-N 3.28Å; L40-M43 PolarHBondContact O-N 3.5Å; L40-R44 PolarHBondContact O-N 3.24Å
41L98.4Very high98.4Very high3 Ų366 Ų662%0.01630%0.301CS..Hα-helixtrans-61.7-37.3179.9-70.7173.7000111.7M37 E38 R44 A45 L96 E99 V100 H234M37-L41 HydrophobicContact CE-CD1 4.16Å; M37-L41 HydrophobicContact CE-CD2 4.02Å; M37-L41 HydrophobicContact CE-CG 4.02Å; M37-L41 HydrophobicContact CG-CD1 4.4Å; M37-L41 WeakPolarHBondContact O-CG 3.17Å; M37-L41 PolarHBondContact O-N 3.03Å; E38-L41 PolarHBondContact O-N 3.49Å; L41-R44 PolarHBondContact O-N 2.99Å; L41-A45 WeakPolarHBondContact O-CB 3.34Å; L41-A45 PolarHBondContact O-N 2.99Å; L41-L96 HydrophobicContact CD2-CD2 4.31Å; L41-E99 HydrophobicContact CD1-CB 4.18Å; L41-V100 HydrophobicContact CB-CG2 3.5Å; L41-V100 VanDerWaalsContact CB-CG2 3.5Å; L41-H234 WeakPolarHBondContact CD2-ND1 3.43Å
42K98.6Very high98.5Very high112 Ų11263 Ų6349%0.48729%0.29SS..Hα-helixtrans-67.4-45.4177.7-175.4-179174.2-169.80112.4E38 E39 L40 R44 A45 S46 V100E38-K42 WeakPolarHBondContact O-CB 3.48Å; E38-K42 PolarHBondContact O-N 3.45Å; E39-K42 PolarHBondContact O-N 3.4Å; E39-K42 IonicContact OE2-NZ 3.69Å; L40-K42 VanDerWaalsContact C-N 3.27Å; L40-K42 PolarHBondContact O-N 3.28Å; K42-R44 VanDerWaalsContact C-N 3.32Å; K42-A45 PolarHBondContact O-N 3.06Å; K42-S46 PolarHBondContact O-N 3.4Å; K42-V100 HydrophobicContact CB-CG2 4.17Å
43M98.7Very high98.5Very high125 Ų12561 Ų6162%0.61629%0.285SS*.Hα-helixtrans-61.3-43.5174.4-73-174-7000110.7E39 L40 S46 A47E39-M43 WeakPolarHBondContact O-CB 3.44Å; E39-M43 WeakPolarHBondContact O-CG 3.41Å; E39-M43 PolarHBondContact O-N 3.4Å; L40-M43 PolarHBondContact O-N 3.5Å; M43-S46 PolarHBondContact O-N 2.98Å; M43-A47 PolarHBondContact O-N 3.3Å
44R98.5Very high98.5Very high100 Ų10061.5 Ų61.538%0.37729%0.287SS..Hα-helixtrans-62.5-48176.7-171.467.2-176-123.49.1111.8L40 L41 K42 S46 A47 E48 L96 F238L40-R44 PolarHBondContact O-N 3.24Å; L41-R44 PolarHBondContact O-N 2.99Å; K42-R44 VanDerWaalsContact C-N 3.32Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 2.83Å; R44-A47 WeakPolarHBondContact O-CB 3.38Å; R44-A47 PolarHBondContact O-N 2.85Å; R44-E48 HydrophobicContact CG-CG 4.42Å; R44-E48 IonicContact CZ-OE1 3.27Å; R44-E48 IonicContact NE-OE1 3.83Å; R44-E48 PolarHBondContact NE-OE1 3.06Å; R44-E48 IonicContact NH2-OE1 2.85Å; R44-E48 PolarHBondContact NH2-OE1 3.28Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.01Å; R44-L96 HydrophobicContact CB-CD1 4.41Å; R44-L96 HydrophobicContact CG-CD1 3.97Å; R44-F238 HydrophobicContact CG-CE2 4.02Å; R44-F238 HydrophobicContact CG-CZ 3.72Å; R44-F238 VanDerWaalsContact CZ-CE1 3.44Å; R44-F238 VanDerWaalsContact CZ-CZ 3.44Å
45A98.7Very high98.6Very high1 Ų162.5 Ų62.51%0.00829%0.292CS..Hα-helixtrans-56.2-42.8176.900000111.9L41 K42 A47 E48 E49 S93 L96 K97L41-A45 WeakPolarHBondContact O-CB 3.34Å; L41-A45 PolarHBondContact O-N 2.99Å; K42-A45 PolarHBondContact O-N 3.06Å; A45-A47 VanDerWaalsContact C-N 3.33Å; A45-A47 PolarHBondContact O-N 3.47Å; A45-E48 PolarHBondContact O-N 3.33Å; A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 2.99Å; A45-S93 VanDerWaalsContact O-CB 3.26Å; A45-S93 WeakPolarHBondContact O-CB 3.39Å; A45-L96 HydrophobicContact CB-CB 3.74Å; A45-L96 HydrophobicContact CB-CD1 4.33Å; A45-K97 HydrophobicContact CB-CG 4.04Å
46S98.7Very high98.6Very high55 Ų5559.6 Ų59.639%0.38528%0.28SS..Hα-helixtrans-65.3-34.7177-1770000113.1K42 M43 R44 R50K42-S46 PolarHBondContact O-N 3.4Å; M43-S46 PolarHBondContact O-N 2.98Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 2.83Å; S46-R50 WeakPolarHBondContact O-CG 3.41Å; S46-R50 PolarHBondContact O-N 3.41Å; S46-R50 PolarHBondContact O-NE 3.21Å
47A98.8Very high98.6Very high36 Ų3659.1 Ų59.130%0.29828%0.276SS..Hα-helixtrans-65.4-49.6173.900000111.4M43 R44 A45 E49 R50 Y51M43-A47 PolarHBondContact O-N 3.3Å; R44-A47 WeakPolarHBondContact O-CB 3.38Å; R44-A47 PolarHBondContact O-N 2.85Å; A45-A47 VanDerWaalsContact C-N 3.33Å; A45-A47 PolarHBondContact O-N 3.47Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-E49 PolarHBondContact O-N 3.21Å; A47-R50 PolarHBondContact O-N 3.45Å; A47-Y51 WeakPolarHBondContact O-CB 3.47Å; A47-Y51 PolarHBondContact O-N 3.1Å
48E98.6Very high98.6Very high14 Ų1462.8 Ų62.87%0.06530%0.295CS..Hα-helixtrans-60.4-41.9178.6-62.8-52.8145.800112.1R44 A45 R50 Y51 G52 H89 L92 L96 F238R44-E48 HydrophobicContact CG-CG 4.42Å; R44-E48 IonicContact CZ-OE1 3.27Å; R44-E48 IonicContact NE-OE1 3.83Å; R44-E48 PolarHBondContact NE-OE1 3.06Å; R44-E48 IonicContact NH2-OE1 2.85Å; R44-E48 PolarHBondContact NH2-OE1 3.28Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.01Å; A45-E48 PolarHBondContact O-N 3.33Å; E48-R50 PolarHBondContact O-N 2.89Å; E48-Y51 PolarHBondContact O-N 3.21Å; E48-G52 PolarHBondContact O-N 3.38Å; E48-H89 IonicContact OE2-CE1 3.48Å; E48-H89 PolarHBondContact OE2-CE1 3.41Å; E48-H89 IonicContact OE2-CG 2.94Å; E48-H89 IonicContact OE2-ND1 2.75Å; E48-H89 PolarHBondContact OE2-ND1 2.98Å; E48-L92 HydrophobicContact CG-CD2 4.33Å; E48-L96 HydrophobicContact CG-CD1 4.2Å; E48-F238 HydrophobicContact CG-CE1 4.16Å; E48-F238 HydrophobicContact CG-CZ 3.84Å; E48-F238 WeakPolarHBondContact OE1-CE1 3.39Å; E48-F238 WeakPolarHBondContact OE1-CZ 3.5Å
49E98.8Very high98.6Very high46 Ų4662.6 Ų62.622%0.21530%0.295CS..Hα-helixtrans-62.9-42177.8-174.7176.7-172.100112.2A45 A47 K53 K97A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 2.99Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-E49 PolarHBondContact O-N 3.21Å; E49-K53 HydrophobicContact CG-CD 4.24Å; E49-K53 WeakPolarHBondContact O-CB 3.45Å; E49-K53 VanDerWaalsContact O-CG 3.29Å; E49-K53 WeakPolarHBondContact O-CG 3.28Å; E49-K53 PolarHBondContact O-N 3.28Å; E49-K53 VanDerWaalsContact O-N 3.1Å; E49-K53 WeakPolarHBondContact OE1-CE 3.48Å; E49-K53 IonicContact OE1-NZ 2.72Å; E49-K53 PolarHBondContact OE1-NZ 3.29Å; E49-K97 VanDerWaalsContact CD-NZ 3.33Å; E49-K97 IonicContact OE1-NZ 2.78Å; E49-K97 IonicContact OE2-NZ 2.83Å; E49-K97 PolarHBondContact OE2-NZ 3.48Å
50R98.8Very high98.5Very high162 Ų16267.9 Ų67.961%0.61131%0.312SS*.Hα-helixtrans-66-48.1177.5-75.7-175.6-64.31642.5110.6S46 A47 E48 G52 K53 E54S46-R50 WeakPolarHBondContact O-CG 3.41Å; S46-R50 PolarHBondContact O-N 3.41Å; S46-R50 PolarHBondContact O-NE 3.21Å; A47-R50 PolarHBondContact O-N 3.45Å; E48-R50 PolarHBondContact O-N 2.89Å; R50-G52 PolarHBondContact O-N 2.99Å; R50-K53 PolarHBondContact O-N 3.19Å; R50-E54 WeakPolarHBondContact O-CG 3.39Å; R50-E54 PolarHBondContact O-N 2.9Å
51Y98.8Very high98.4Very high114 Ų11471.5 Ų71.545%0.44732%0.324SS..Hα-helixtrans-56.4-50.4178.4-179.6-117000111.5A47 E48 K53 E54 L55 H89A47-Y51 WeakPolarHBondContact O-CB 3.47Å; A47-Y51 PolarHBondContact O-N 3.1Å; E48-Y51 PolarHBondContact O-N 3.21Å; Y51-K53 PolarHBondContact O-N 2.97Å; Y51-E54 PolarHBondContact O-N 2.86Å; Y51-L55 HydrophobicContact CD1-CD1 4.06Å; Y51-L55 HydrophobicContact CE1-CD1 3.51Å; Y51-L55 HydrophobicContact CE1-CG 4.26Å; Y51-L55 HydrophobicContact CE2-CD1 4.24Å; Y51-L55 HydrophobicContact CE2-CD2 4.17Å; Y51-L55 HydrophobicContact CE2-CG 4.14Å; Y51-L55 WeakPolarHBondContact O-CG 3.45Å; Y51-L55 PolarHBondContact O-N 2.67Å; Y51-H89 HydrophobicContact CD1-CB 4.32Å; Y51-H89 AromaticContact CD1-CD2 3.94Å; Y51-H89 AromaticContact CD1-CE1 3.81Å; Y51-H89 AromaticContact CD1-CG 3.74Å; Y51-H89 AromaticContact CD1-ND1 3.66Å; Y51-H89 AromaticContact CD1-NE2 3.98Å; Y51-H89 AromaticContact CE1-CD2 3.81Å; Y51-H89 AromaticContact CE1-CE1 3.73Å; Y51-H89 AromaticContact CE1-NE2 3.57Å
52G98.8Very high98.2Very high0 Ų073.2 Ų73.20%034%0.339CS..Hα-helixtrans-61.7-39.9179.400000113.7E48 R50 L55 V56 G86E48-G52 PolarHBondContact O-N 3.38Å; R50-G52 PolarHBondContact O-N 2.99Å; G52-L55 PolarHBondContact O-N 2.79Å; G52-V56 WeakPolarHBondContact O-CG2 3.49Å; G52-V56 PolarHBondContact O-N 3.13Å; G52-V56 VanDerWaalsContact O-N 3.08Å; G52-G86 WeakPolarHBondContact CA-O 3.34Å; G52-G86 WeakPolarHBondContact O-CA 3.39Å
53K98.8Very high97.8Very high101 Ų10170.3 Ų70.344%0.43934%0.341SS..Hα-helixtrans-64.1-40.7175.4-76.3175.5-175.3171.20112.8E49 R50 Y51 V56 M57 I90E49-K53 HydrophobicContact CG-CD 4.24Å; E49-K53 WeakPolarHBondContact O-CB 3.45Å; E49-K53 VanDerWaalsContact O-CG 3.29Å; E49-K53 WeakPolarHBondContact O-CG 3.28Å; E49-K53 PolarHBondContact O-N 3.28Å; E49-K53 VanDerWaalsContact O-N 3.1Å; E49-K53 WeakPolarHBondContact OE1-CE 3.48Å; E49-K53 IonicContact OE1-NZ 2.72Å; E49-K53 PolarHBondContact OE1-NZ 3.29Å; R50-K53 PolarHBondContact O-N 3.19Å; Y51-K53 PolarHBondContact O-N 2.97Å; K53-V56 PolarHBondContact O-N 3.43Å; K53-M57 PolarHBondContact O-N 3.38Å; K53-I90 HydrophobicContact CG-CD1 3.97Å; K53-I90 HydrophobicContact CG-CG1 4.3Å
54E98.8Very high97.3Very high101 Ų10165.5 Ų65.547%0.47232%0.324SS..Hα-helixtrans-66.4-41177.1-68.9-54.8139.500111.3R50 Y51 V56 M57 I58R50-E54 WeakPolarHBondContact O-CG 3.39Å; R50-E54 PolarHBondContact O-N 2.9Å; Y51-E54 PolarHBondContact O-N 2.86Å; E54-V56 PolarHBondContact O-N 2.89Å; E54-M57 WeakPolarHBondContact O-CB 3.28Å; E54-M57 PolarHBondContact O-N 3.17Å; E54-M57 VanDerWaalsContact O-N 3.12Å; E54-I58 VanDerWaalsContact O-CG1 3.3Å; E54-I58 WeakPolarHBondContact O-CG1 3.39Å; E54-I58 PolarHBondContact O-N 3.45Å
55L98.8Very high96.9Very high20 Ų2067.5 Ų67.511%0.10534%0.341CS..Hα-helixtrans-59.4-46.8174.3-70.8-178.5000112.5Y51 G52 M57 I58 A59 I82 I85Y51-L55 HydrophobicContact CD1-CD1 4.06Å; Y51-L55 HydrophobicContact CE1-CD1 3.51Å; Y51-L55 HydrophobicContact CE1-CG 4.26Å; Y51-L55 HydrophobicContact CE2-CD1 4.24Å; Y51-L55 HydrophobicContact CE2-CD2 4.17Å; Y51-L55 HydrophobicContact CE2-CG 4.14Å; Y51-L55 WeakPolarHBondContact O-CG 3.45Å; Y51-L55 PolarHBondContact O-N 2.67Å; G52-L55 PolarHBondContact O-N 2.79Å; L55-M57 VanDerWaalsContact C-N 3.25Å; L55-M57 PolarHBondContact O-N 2.83Å; L55-I58 PolarHBondContact O-N 3.15Å; L55-A59 PolarHBondContact O-N 2.9Å; L55-I82 HydrophobicContact CB-CG2 4.33Å; L55-I82 HydrophobicContact CD2-CG2 4.33Å; L55-I85 HydrophobicContact CD1-CB 4.42Å; L55-I85 HydrophobicContact CD1-CG2 3.68Å
56V98.8Very high96.6Very high12 Ų1273.2 Ų73.27%0.07338%0.38CS..Hα-helixtrans-58.9-39.9174.81720000110.9G52 K53 E54 R60 E83 I90G52-V56 WeakPolarHBondContact O-CG2 3.49Å; G52-V56 PolarHBondContact O-N 3.13Å; G52-V56 VanDerWaalsContact O-N 3.08Å; K53-V56 PolarHBondContact O-N 3.43Å; E54-V56 PolarHBondContact O-N 2.89Å; V56-R60 WeakPolarHBondContact O-CG 3.46Å; V56-R60 PolarHBondContact O-N 2.75Å; V56-E83 HydrophobicContact CG1-CG 4.25Å; V56-E83 HydrophobicContact CG2-CG 4.23Å; V56-I90 HydrophobicContact CG2-CD1 4.3Å
57M98.5Very high96.4Very high74 Ų7474.6 Ų74.637%0.36538%0.38SS..Hα-helixtrans-65.6-42.6177.1-166-173.1-49.100112.1K53 E54 L55 R60 K61K53-M57 PolarHBondContact O-N 3.38Å; E54-M57 WeakPolarHBondContact O-CB 3.28Å; E54-M57 PolarHBondContact O-N 3.17Å; E54-M57 VanDerWaalsContact O-N 3.12Å; L55-M57 VanDerWaalsContact C-N 3.25Å; L55-M57 PolarHBondContact O-N 2.83Å; M57-R60 PolarHBondContact O-N 2.77Å; M57-K61 HydrophobicContact CG-CD 3.95Å; M57-K61 HydrophobicContact CG-CG 4.47Å; M57-K61 WeakPolarHBondContact O-CB 3.39Å; M57-K61 WeakPolarHBondContact O-CG 3.49Å; M57-K61 PolarHBondContact O-N 3.43Å; M57-K61 HydrophobicContact SD-CD 4.35Å; M57-K61 PolarHBondContact SD-NZ 3.06Å
58I98.3Very high96.2Very high91 Ų9174.9 Ų74.947%0.46738%0.376SS..Hα-helixtrans-59.4-50.8176.4-71.1163.9000109.9E54 L55 R60 K61 A62E54-I58 VanDerWaalsContact O-CG1 3.3Å; E54-I58 WeakPolarHBondContact O-CG1 3.39Å; E54-I58 PolarHBondContact O-N 3.45Å; L55-I58 PolarHBondContact O-N 3.15Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.04Å; I58-K61 PolarHBondContact O-N 3.43Å; I58-A62 WeakPolarHBondContact O-CB 3.36Å; I58-A62 PolarHBondContact O-N 3.01Å
59A97.8Very high96.1Very high4 Ų477.6 Ų77.63%0.03339%0.391CS..Hα-helixtrans-56.2-42.6179.600000112.7L55 K79 I82 E83L55-A59 PolarHBondContact O-N 2.9Å; A59-K79 WeakPolarHBondContact CB-O 3.28Å; A59-K79 VanDerWaalsContact O-CE 3.32Å; A59-K79 WeakPolarHBondContact O-CE 3.34Å; A59-I82 HydrophobicContact CB-CB 4.23Å; A59-I82 HydrophobicContact CB-CG2 4.03Å; A59-E83 HydrophobicContact CB-CB 3.72Å
60R95.6Very high96.1Very high173 Ų17376.7 Ų76.765%0.65339%0.389SS*.Hα-helixtrans-72.7-31.6-179.8-70.4176-176.5177.93.6114V56 M57 I58 E83V56-R60 WeakPolarHBondContact O-CG 3.46Å; V56-R60 PolarHBondContact O-N 2.75Å; M57-R60 PolarHBondContact O-N 2.77Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.04Å; R60-E83 IonicContact CZ-OE1 3.41Å; R60-E83 IonicContact NE-OE1 3.35Å; R60-E83 PolarHBondContact NE-OE1 3.43Å; R60-E83 IonicContact NH2-OE1 2.68Å; R60-E83 PolarHBondContact NH2-OE1 2.88Å
61K96.7Very high96Very high157 Ų15772.4 Ų72.468%0.68338%0.378SS*.Hα-helixtrans-90.1-14.9179.4-70.7-178.9178.6174.30113.3M57 I58 G63M57-K61 HydrophobicContact CG-CD 3.95Å; M57-K61 HydrophobicContact CG-CG 4.47Å; M57-K61 WeakPolarHBondContact O-CB 3.39Å; M57-K61 WeakPolarHBondContact O-CG 3.49Å; M57-K61 PolarHBondContact O-N 3.43Å; M57-K61 HydrophobicContact SD-CD 4.35Å; M57-K61 PolarHBondContact SD-NZ 3.06Å; I58-K61 PolarHBondContact O-N 3.43Å; K61-G63 PolarHBondContact O-N 3.49Å
62A94.6Very high95.9Very high39 Ų3969.9 Ų69.932%0.32237%0.369SS..  trans-58.2132.6179.200000110.6I58 K79I58-A62 WeakPolarHBondContact O-CB 3.36Å; I58-A62 PolarHBondContact O-N 3.01Å; A62-K79 HydrophobicContact CB-CD 3.94Å; A62-K79 HydrophobicContact CB-CG 3.94Å; A62-K79 WeakPolarHBondContact O-CE 3.4Å; A62-K79 PolarHBondContact O-NZ 3.22Å
63G91.1Very high95.8Very high51 Ų5172.2 Ų72.253%0.52639%0.388SS..  trans-70.4-141.5179.800000113.3K61 K79K61-G63 PolarHBondContact O-N 3.49Å; G63-K79 PolarHBondContact O-NZ 3.26Å; G63-K79 VanDerWaalsContact O-NZ 3.11Å
64G87.9Confident95.7Very high25 Ų2567.6 Ų67.626%0.25837%0.369SS..  trans89.411.217800000115.5C66 E67G64-C66 PolarHBondContact O-N 2.87Å; G64-E67 PolarHBondContact O-N 3.11Å
65L88.8Confident95.7Very high141 Ų14165.4 Ų65.474%0.73836%0.36SS*.THydrogen-bonded Turntrans-68.4-18.5179.2-62.9177.2000113.6
66C92.4Very high95.6Very high122 Ų12267 Ų6782%0.82437%0.368SS*.THydrogen-bonded Turntrans-87.5-17-179.7-59.40000113.5G64G64-C66 PolarHBondContact O-N 2.87Å
67E95.6Very high95.6Very high84 Ų8468.7 Ų68.739%0.39338%0.375SS..  trans-66.5157.5175.4-69.9-53.8140.800110.5G64 K72 L75G64-E67 PolarHBondContact O-N 3.11Å; E67-K72 HydrophobicContact CB-CB 4.06Å; E67-K72 WeakPolarHBondContact O-CD 3.28Å; E67-L75 HydrophobicContact CG-CD2 4.2Å
68I95.1Very high95.6Very high41 Ų4168 Ų6821%0.2137%0.373CS..  trans-129.1164.7-176.462.1172.2000111.6T70 K72 C267 F268 M271I68-T70 PolarHBondContact O-N 2.99Å; I68-K72 VanDerWaalsContact C-CB 3.43Å; I68-K72 WeakPolarHBondContact O-CB 2.84Å; I68-K72 PolarHBondContact O-N 2.92Å; I68-C267 HydrophobicContact CD1-CB 4.44Å; I68-F268 HydrophobicContact CD1-CB 3.74Å; I68-F268 HydrophobicContact CD1-CD2 4.37Å; I68-M271 HydrophobicContact CG2-SD 4.46Å
69N96.1Very high95.6Very high72 Ų7265.3 Ų65.339%0.38536%0.358SS..Hα-helixtrans46-126.1170.4-158.917.4000115.4K72 A73 A263 D264 C267N69-K72 WeakPolarHBondContact O-CB 3.33Å; N69-K72 PolarHBondContact O-N 3.35Å; N69-A73 PolarHBondContact O-N 3.15Å; N69-A73 VanDerWaalsContact O-N 3.09Å; N69-A263 VanDerWaalsContact ND2-C 3.28Å; N69-A263 PolarHBondContact ND2-O 3.21Å; N69-D264 VanDerWaalsContact CB-OD1 3.29Å; N69-D264 WeakPolarHBondContact CB-OD1 3.43Å; N69-D264 PolarHBondContact ND2-OD1 3.02Å; N69-C267 HydrophobicContact CB-CB 3.97Å
70T97.6Very high95.6Very high27 Ų2768.3 Ų68.317%0.16638%0.376CS..Hα-helixtrans-76.6-33.2-167.168.80000112.9I68 A73 S74 D260 A263 D264I68-T70 PolarHBondContact O-N 2.99Å; T70-A73 PolarHBondContact O-N 3.35Å; T70-S74 PolarHBondContact O-N 3.01Å; T70-S74 VanDerWaalsContact O-N 3.13Å; T70-S74 PolarHBondContact O-OG 2.9Å; T70-S74 VanDerWaalsContact O-OG 3.14Å; T70-D260 PolarHBondContact OG1-N 3.47Å; T70-D260 PolarHBondContact OG1-O 3.48Å; T70-A263 HydrophobicContact CG2-CB 4.39Å; T70-D264 WeakPolarHBondContact CA-OD1 3.33Å; T70-D264 VanDerWaalsContact CB-OD1 3.3Å; T70-D264 WeakPolarHBondContact CB-OD1 3.49Å; T70-D264 PolarHBondContact N-OD1 3.38Å; T70-D264 PolarHBondContact N-OD2 3.1Å; T70-D264 VanDerWaalsContact OG1-CG 3.27Å; T70-D264 PolarHBondContact OG1-OD1 3.28Å; T70-D264 PolarHBondContact OG1-OD2 3.06Å
71L96.8Very high95.7Very high72 Ų7260.9 Ų60.938%0.37735%0.349SS..Hα-helixtrans-68.1-38.9172.2-177.659000111.3A73 S74 L75 D264L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 3.02Å; L71-S74 PolarHBondContact O-N 2.88Å; L71-L75 PolarHBondContact O-N 3.11Å; L71-D264 WeakPolarHBondContact CB-OD2 3.33Å; L71-D264 PolarHBondContact N-OD2 2.71Å
72K96.8Very high95.8Very high61 Ų6155 Ų5527%0.26532%0.324SS..Hα-helixtrans-57.7-46.7172175.4174.9173.143.40111.4E67 I68 N69 S74 L75 D76E67-K72 HydrophobicContact CB-CB 4.06Å; E67-K72 WeakPolarHBondContact O-CD 3.28Å; I68-K72 VanDerWaalsContact C-CB 3.43Å; I68-K72 WeakPolarHBondContact O-CB 2.84Å; I68-K72 PolarHBondContact O-N 2.92Å; N69-K72 WeakPolarHBondContact O-CB 3.33Å; N69-K72 PolarHBondContact O-N 3.35Å; K72-S74 VanDerWaalsContact C-N 3.28Å; K72-S74 PolarHBondContact O-N 3.41Å; K72-L75 PolarHBondContact O-N 2.95Å; K72-D76 WeakPolarHBondContact CE-OD2 3.16Å; K72-D76 IonicContact NZ-OD1 3.34Å; K72-D76 PolarHBondContact NZ-OD1 2.92Å; K72-D76 IonicContact NZ-OD2 3.01Å; K72-D76 PolarHBondContact NZ-OD2 2.79Å; K72-D76 WeakPolarHBondContact O-CB 3.43Å; K72-D76 PolarHBondContact O-N 3.31Å
73A97.4Very high96Very high49 Ų4955.6 Ų55.641%0.40532%0.32SS..Hα-helixtrans-58.4-42.5179.200000111.5N69 T70 L71 D76 Q77N69-A73 PolarHBondContact O-N 3.15Å; N69-A73 VanDerWaalsContact O-N 3.09Å; T70-A73 PolarHBondContact O-N 3.35Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 3.02Å; A73-D76 PolarHBondContact O-N 3.27Å; A73-Q77 WeakPolarHBondContact O-CB 3.4Å; A73-Q77 PolarHBondContact O-N 3.2Å
74S97.5Very high96.4Very high3 Ų356.2 Ų56.22%0.02131%0.311CS..Hα-helixtrans-63.6-43.1176.4-59.50000112.9T70 L71 K72 Q77 L78 T255T70-S74 PolarHBondContact O-N 3.01Å; T70-S74 VanDerWaalsContact O-N 3.13Å; T70-S74 PolarHBondContact O-OG 2.9Å; T70-S74 VanDerWaalsContact O-OG 3.14Å; L71-S74 PolarHBondContact O-N 2.88Å; K72-S74 VanDerWaalsContact C-N 3.28Å; K72-S74 PolarHBondContact O-N 3.41Å; S74-Q77 PolarHBondContact O-N 3.4Å; S74-L78 PolarHBondContact O-N 3.2Å; S74-T255 PolarHBondContact OG-O 3.09Å
75L97.4Very high96.9Very high56 Ų5655.1 Ų55.129%0.29330%0.3SS..Hα-helixtrans-67.8-39.7177.8-177.758000112.3E67 L71 K72 Q77 L78 K79E67-L75 HydrophobicContact CG-CD2 4.2Å; L71-L75 PolarHBondContact O-N 3.11Å; K72-L75 PolarHBondContact O-N 2.95Å; L75-Q77 VanDerWaalsContact C-N 3.34Å; L75-L78 PolarHBondContact O-N 3.44Å; L75-K79 WeakPolarHBondContact O-CG 3.41Å; L75-K79 PolarHBondContact O-N 2.98Å; L75-K79 VanDerWaalsContact O-N 3.15Å
76D97.4Very high97.4Very high52 Ų5248.4 Ų48.428%0.27826%0.264SS..Hα-helixtrans-65.5-39.6174.7-73.8-24.3000110.9K72 A73 L78 K79 V80K72-D76 WeakPolarHBondContact CE-OD2 3.16Å; K72-D76 IonicContact NZ-OD1 3.34Å; K72-D76 PolarHBondContact NZ-OD1 2.92Å; K72-D76 IonicContact NZ-OD2 3.01Å; K72-D76 PolarHBondContact NZ-OD2 2.79Å; K72-D76 WeakPolarHBondContact O-CB 3.43Å; K72-D76 PolarHBondContact O-N 3.31Å; A73-D76 PolarHBondContact O-N 3.27Å; D76-L78 PolarHBondContact O-N 3.11Å; D76-K79 WeakPolarHBondContact O-CB 3.37Å; D76-K79 PolarHBondContact O-N 3.16Å; D76-V80 WeakPolarHBondContact O-CG2 3.41Å; D76-V80 PolarHBondContact O-N 3.35Å
77Q98Very high97.7Very high48 Ų4846.1 Ų46.122%0.22424%0.244CC..Hα-helixtrans-62.1-41.9175.4-174.561.35200112.2A73 S74 L75 K79 V80 Q81 T255A73-Q77 WeakPolarHBondContact O-CB 3.4Å; A73-Q77 PolarHBondContact O-N 3.2Å; S74-Q77 PolarHBondContact O-N 3.4Å; L75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-K79 VanDerWaalsContact C-N 3.34Å; Q77-K79 PolarHBondContact O-N 2.88Å; Q77-V80 PolarHBondContact O-N 3.39Å; Q77-Q81 WeakPolarHBondContact O-CG 3.34Å; Q77-Q81 PolarHBondContact O-N 3.27Å; Q77-T255 HydrophobicContact CB-CG2 3.99Å; Q77-T255 HydrophobicContact CG-CG2 4.3Å; Q77-T255 WeakPolarHBondContact CG-OG1 3.48Å
78L98.2Very high97.8Very high60 Ų6043.7 Ų43.731%0.31423%0.234SC..Hα-helixtrans-58.2-46.3173.5175.262.2000111.3S74 L75 D76 V80 Q81 I82 Y249 V252S74-L78 PolarHBondContact O-N 3.2Å; L75-L78 PolarHBondContact O-N 3.44Å; D76-L78 PolarHBondContact O-N 3.11Å; L78-V80 PolarHBondContact O-N 3.15Å; L78-Q81 PolarHBondContact O-N 3.36Å; L78-I82 HydrophobicContact CD1-CD1 3.95Å; L78-I82 HydrophobicContact CD1-CG1 4.2Å; L78-I82 HydrophobicContact CG-CD1 3.93Å; L78-I82 WeakPolarHBondContact O-CG1 3.3Å; L78-I82 PolarHBondContact O-N 3.27Å; L78-Y249 HydrophobicContact CD1-CE1 4.34Å; L78-V252 HydrophobicContact CB-CG1 3.95Å; L78-V252 HydrophobicContact CD1-CG1 4.16Å; L78-V252 HydrophobicContact CD1-CG2 4.26Å
79K98.1Very high98Very high34 Ų3442.4 Ų42.415%0.14823%0.227CC..Hα-helixtrans-61.6-43.9178.6-69.6168.659.5172.40111.8A59 A62 G63 L75 D76 Q77 Q81 I82 E83A59-K79 WeakPolarHBondContact CB-O 3.28Å; A59-K79 VanDerWaalsContact O-CE 3.32Å; A59-K79 WeakPolarHBondContact O-CE 3.34Å; A62-K79 HydrophobicContact CB-CD 3.94Å; A62-K79 HydrophobicContact CB-CG 3.94Å; A62-K79 WeakPolarHBondContact O-CE 3.4Å; A62-K79 PolarHBondContact O-NZ 3.22Å; G63-K79 PolarHBondContact O-NZ 3.26Å; G63-K79 VanDerWaalsContact O-NZ 3.11Å; L75-K79 WeakPolarHBondContact O-CG 3.41Å; L75-K79 PolarHBondContact O-N 2.98Å; L75-K79 VanDerWaalsContact O-N 3.15Å; D76-K79 WeakPolarHBondContact O-CB 3.37Å; D76-K79 PolarHBondContact O-N 3.16Å; Q77-K79 VanDerWaalsContact C-N 3.34Å; Q77-K79 PolarHBondContact O-N 2.88Å; K79-Q81 VanDerWaalsContact C-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.19Å; K79-I82 PolarHBondContact O-N 3.36Å; K79-E83 PolarHBondContact O-N 3.34Å
80V98.3Very high98.1Very high67 Ų6741.4 Ų41.441%0.40622%0.221SC..Hα-helixtrans-58.3-45.7175.81680000110.9D76 Q77 L78 E83 N84D76-V80 WeakPolarHBondContact O-CG2 3.41Å; D76-V80 PolarHBondContact O-N 3.35Å; Q77-V80 PolarHBondContact O-N 3.39Å; L78-V80 PolarHBondContact O-N 3.15Å; V80-E83 PolarHBondContact O-N 2.88Å; V80-N84 VanDerWaalsContact O-CG 3.27Å; V80-N84 PolarHBondContact O-N 2.7Å; V80-N84 PolarHBondContact O-ND2 3.3Å
81Q98.7Very high98.2Very high18 Ų1845.9 Ų45.98%0.08424%0.24CC..Hα-helixtrans-71.9-34.6-178.1-63.3-62.6-4.500112.8Q77 L78 K79 E83 N84 I85 C248 E251 V252Q77-Q81 WeakPolarHBondContact O-CG 3.34Å; Q77-Q81 PolarHBondContact O-N 3.27Å; L78-Q81 PolarHBondContact O-N 3.36Å; K79-Q81 VanDerWaalsContact C-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.19Å; Q81-E83 VanDerWaalsContact C-N 3.32Å; Q81-E83 PolarHBondContact O-N 2.94Å; Q81-N84 PolarHBondContact O-N 2.69Å; Q81-N84 PolarHBondContact OE1-ND2 3.17Å; Q81-I85 VanDerWaalsContact O-CG1 3.3Å; Q81-I85 WeakPolarHBondContact O-CG1 3.4Å; Q81-I85 PolarHBondContact O-N 2.92Å; Q81-C248 HydrophobicContact CB-CB 4.26Å; Q81-C248 VanDerWaalsContact CG-O 3.28Å; Q81-C248 WeakPolarHBondContact CG-O 3.49Å; Q81-C248 PolarHBondContact OE1-SG 3.27Å; Q81-E251 HydrophobicContact CG-CB 4.46Å; Q81-V252 HydrophobicContact CB-CG2 3.75Å; Q81-V252 HydrophobicContact CG-CG2 3.67Å
82I98.7Very high98.3Very high32 Ų3242.8 Ų42.816%0.16422%0.224CC..Hα-helixtrans-60.7-42.1170.6-67168000110.9L55 A59 L78 K79 G86L55-I82 HydrophobicContact CB-CG2 4.33Å; L55-I82 HydrophobicContact CD2-CG2 4.33Å; A59-I82 HydrophobicContact CB-CB 4.23Å; A59-I82 HydrophobicContact CB-CG2 4.03Å; L78-I82 HydrophobicContact CD1-CD1 3.95Å; L78-I82 HydrophobicContact CD1-CG1 4.2Å; L78-I82 HydrophobicContact CG-CD1 3.93Å; L78-I82 WeakPolarHBondContact O-CG1 3.3Å; L78-I82 PolarHBondContact O-N 3.27Å; K79-I82 PolarHBondContact O-N 3.36Å; I82-G86 PolarHBondContact O-N 3.4Å
83E98.6Very high98.4Very high52 Ų5240 Ų4024%0.24321%0.212CC..Hα-helixtrans-64.3-41.4175.3-173.5164.7-158.700111.6V56 A59 R60 K79 V80 Q81 G86 N87V56-E83 HydrophobicContact CG1-CG 4.25Å; V56-E83 HydrophobicContact CG2-CG 4.23Å; A59-E83 HydrophobicContact CB-CB 3.72Å; R60-E83 IonicContact CZ-OE1 3.41Å; R60-E83 IonicContact NE-OE1 3.35Å; R60-E83 PolarHBondContact NE-OE1 3.43Å; R60-E83 IonicContact NH2-OE1 2.68Å; R60-E83 PolarHBondContact NH2-OE1 2.88Å; K79-E83 PolarHBondContact O-N 3.34Å; V80-E83 PolarHBondContact O-N 2.88Å; Q81-E83 VanDerWaalsContact C-N 3.32Å; Q81-E83 PolarHBondContact O-N 2.94Å; E83-G86 PolarHBondContact O-N 3.46Å; E83-N87 PolarHBondContact O-N 3.22Å; E83-N87 PolarHBondContact O-ND2 3.03Å
84N98.7Very high98.4Very high64 Ų6439.1 Ų39.134%0.34221%0.208SC..Hα-helixtrans-61.4-48.8176.6-70.8-21.3000112.1V80 Q81 G86 N87 L88V80-N84 VanDerWaalsContact O-CG 3.27Å; V80-N84 PolarHBondContact O-N 2.7Å; V80-N84 PolarHBondContact O-ND2 3.3Å; Q81-N84 PolarHBondContact O-N 2.69Å; Q81-N84 PolarHBondContact OE1-ND2 3.17Å; N84-G86 VanDerWaalsContact C-N 3.29Å; N84-G86 PolarHBondContact O-N 2.98Å; N84-N87 WeakPolarHBondContact O-CB 3.25Å; N84-N87 PolarHBondContact O-N 3.22Å; N84-N87 VanDerWaalsContact O-N 3.12Å; N84-L88 WeakPolarHBondContact O-CG 3.13Å; N84-L88 PolarHBondContact O-N 2.88Å
85I98.8Very high98.4Very high2 Ų241.1 Ų41.11%0.0122%0.22CC..Hα-helixtrans-56.4-46.9175-67.8167.3000109.7L55 Q81 N87 L88 H89 C248 Y249L55-I85 HydrophobicContact CD1-CB 4.42Å; L55-I85 HydrophobicContact CD1-CG2 3.68Å; Q81-I85 VanDerWaalsContact O-CG1 3.3Å; Q81-I85 WeakPolarHBondContact O-CG1 3.4Å; Q81-I85 PolarHBondContact O-N 2.92Å; I85-N87 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 2.88Å; I85-L88 WeakPolarHBondContact O-CB 3.47Å; I85-L88 PolarHBondContact O-N 3.49Å; I85-L88 VanDerWaalsContact O-N 3.09Å; I85-H89 PolarHBondContact O-CD2 3.35Å; I85-H89 VanDerWaalsContact O-CD2 3.3Å; I85-H89 PolarHBondContact O-N 3.1Å; I85-C248 HydrophobicContact CD1-CB 3.85Å; I85-C248 HydrophobicContact CG1-CB 3.74Å; I85-Y249 HydrophobicContact CD1-CD2 4.11Å; I85-Y249 HydrophobicContact CD1-CE1 4.21Å; I85-Y249 HydrophobicContact CD1-CE2 3.49Å; I85-Y249 VanDerWaalsContact CD1-CE2 3.49Å
86G98.8Very high98.5Very high0 Ų038.6 Ų38.60%021%0.206CC..Hα-helixtrans-55.7-43.817600000113.4G52 I82 E83 N84 H89 I90G52-G86 WeakPolarHBondContact CA-O 3.34Å; G52-G86 WeakPolarHBondContact O-CA 3.39Å; I82-G86 PolarHBondContact O-N 3.4Å; E83-G86 PolarHBondContact O-N 3.46Å; N84-G86 VanDerWaalsContact C-N 3.29Å; N84-G86 PolarHBondContact O-N 2.98Å; G86-H89 PolarHBondContact O-N 2.68Å; G86-I90 WeakPolarHBondContact O-CG1 3.42Å; G86-I90 PolarHBondContact O-N 3.2Å; G86-I90 VanDerWaalsContact O-N 3.09Å
87N98.8Very high98.5Very high75 Ų7539.8 Ų39.840%0.40121%0.209SC..Hα-helixtrans-66.5-37.4175.8-71.6-45.2000113E83 N84 I85 I90 Q91E83-N87 PolarHBondContact O-N 3.22Å; E83-N87 PolarHBondContact O-ND2 3.03Å; N84-N87 WeakPolarHBondContact O-CB 3.25Å; N84-N87 PolarHBondContact O-N 3.22Å; N84-N87 VanDerWaalsContact O-N 3.12Å; I85-N87 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 2.88Å; N87-I90 PolarHBondContact O-N 3.44Å; N87-Q91 PolarHBondContact O-N 2.99Å
88L98.7Very high98.5Very high33 Ų3341.4 Ų41.417%0.17322%0.217CC..Hα-helixtrans-62.4-44.5175.2-69.5172000111.5N84 I85 I90 Q91 L92 Q241 K244N84-L88 WeakPolarHBondContact O-CG 3.13Å; N84-L88 PolarHBondContact O-N 2.88Å; I85-L88 WeakPolarHBondContact O-CB 3.47Å; I85-L88 PolarHBondContact O-N 3.49Å; I85-L88 VanDerWaalsContact O-N 3.09Å; L88-I90 PolarHBondContact O-N 2.94Å; L88-Q91 WeakPolarHBondContact O-CB 3.24Å; L88-Q91 PolarHBondContact O-N 3.45Å; L88-L92 WeakPolarHBondContact O-CB 3.33Å; L88-L92 PolarHBondContact O-N 2.99Å; L88-Q241 VanDerWaalsContact CB-NE2 3.35Å; L88-K244 HydrophobicContact CD1-CB 3.86Å; L88-K244 HydrophobicContact CD1-CD 4.21Å; L88-K244 HydrophobicContact CD2-CD 4.07Å
89H98.8Very high98.4Very high14 Ų1440.5 Ų40.57%0.06521%0.211CC..Hα-helixtrans-64.2-37.3175.3-80.4-87.7000112.8E48 Y51 I85 G86 Q91 L92 S93 D245E48-H89 IonicContact OE2-CE1 3.48Å; E48-H89 PolarHBondContact OE2-CE1 3.41Å; E48-H89 IonicContact OE2-CG 2.94Å; E48-H89 IonicContact OE2-ND1 2.75Å; E48-H89 PolarHBondContact OE2-ND1 2.98Å; Y51-H89 HydrophobicContact CD1-CB 4.32Å; Y51-H89 AromaticContact CD1-CD2 3.94Å; Y51-H89 AromaticContact CD1-CE1 3.81Å; Y51-H89 AromaticContact CD1-CG 3.74Å; Y51-H89 AromaticContact CD1-ND1 3.66Å; Y51-H89 AromaticContact CD1-NE2 3.98Å; Y51-H89 AromaticContact CE1-CD2 3.81Å; Y51-H89 AromaticContact CE1-CE1 3.73Å; Y51-H89 AromaticContact CE1-NE2 3.57Å; I85-H89 PolarHBondContact O-CD2 3.35Å; I85-H89 VanDerWaalsContact O-CD2 3.3Å; I85-H89 PolarHBondContact O-N 3.1Å; G86-H89 PolarHBondContact O-N 2.68Å; H89-Q91 VanDerWaalsContact C-N 3.34Å; H89-Q91 PolarHBondContact O-N 3.12Å; H89-L92 PolarHBondContact O-N 2.86Å; H89-S93 PolarHBondContact O-N 3.06Å; H89-D245 IonicContact NE2-OD2 2.97Å; H89-D245 PolarHBondContact NE2-OD2 3.39Å
90I98.8Very high98.4Very high50 Ų5039.7 Ų39.726%0.25621%0.209SC..Hα-helixtrans-61.4-44.7172.7-68.7165.1000110.4K53 V56 G86 N87 L88 S93 G94K53-I90 HydrophobicContact CG-CD1 3.97Å; K53-I90 HydrophobicContact CG-CG1 4.3Å; V56-I90 HydrophobicContact CG2-CD1 4.3Å; G86-I90 WeakPolarHBondContact O-CG1 3.42Å; G86-I90 PolarHBondContact O-N 3.2Å; G86-I90 VanDerWaalsContact O-N 3.09Å; N87-I90 PolarHBondContact O-N 3.44Å; L88-I90 PolarHBondContact O-N 2.94Å; I90-S93 WeakPolarHBondContact O-CB 3.42Å; I90-S93 PolarHBondContact O-N 3.49Å; I90-S93 PolarHBondContact O-OG 3.01Å; I90-G94 PolarHBondContact O-N 3.45Å
91Q98.6Very high98.4Very high122 Ų12241.2 Ų41.257%0.5721%0.21SC*.Hα-helixtrans-62.8-44.7176.8-174.6-177.210.100111.7N87 L88 H89 S93 G94 V95N87-Q91 PolarHBondContact O-N 2.99Å; L88-Q91 WeakPolarHBondContact O-CB 3.24Å; L88-Q91 PolarHBondContact O-N 3.45Å; H89-Q91 VanDerWaalsContact C-N 3.34Å; H89-Q91 PolarHBondContact O-N 3.12Å; Q91-S93 VanDerWaalsContact C-N 3.27Å; Q91-S93 PolarHBondContact O-N 3.08Å; Q91-G94 WeakPolarHBondContact O-CA 3.19Å; Q91-G94 PolarHBondContact O-N 3.26Å; Q91-V95 PolarHBondContact O-N 3.21Å
92L98.6Very high98.3Very high6 Ų646.7 Ų46.73%0.03123%0.23CC..Hα-helixtrans-56.5-42.3174.5175.759.2000111.1E48 L88 H89 G94 V95 L96 Q237 F238 Q241E48-L92 HydrophobicContact CG-CD2 4.33Å; L88-L92 WeakPolarHBondContact O-CB 3.33Å; L88-L92 PolarHBondContact O-N 2.99Å; H89-L92 PolarHBondContact O-N 2.86Å; L92-G94 PolarHBondContact O-N 3.2Å; L92-V95 PolarHBondContact O-N 3.24Å; L92-V95 VanDerWaalsContact O-N 3.15Å; L92-L96 HydrophobicContact CD1-CG 4.35Å; L92-L96 HydrophobicContact CG-CD1 4.4Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.32Å; L92-Q237 HydrophobicContact CD1-CB 3.75Å; L92-F238 HydrophobicContact CD2-CD1 4.19Å; L92-F238 HydrophobicContact CD2-CE1 3.69Å; L92-F238 HydrophobicContact CD2-CZ 3.88Å; L92-Q241 HydrophobicContact CD2-CB 4.14Å; L92-Q241 HydrophobicContact CD2-CG 4.1Å
93S98.8Very high98.3Very high3 Ų345.4 Ų45.42%0.02122%0.223CC..Hα-helixtrans-58-37.5173.695.40000112.5A45 H89 I90 Q91 L96 K97A45-S93 VanDerWaalsContact O-CB 3.26Å; A45-S93 WeakPolarHBondContact O-CB 3.39Å; H89-S93 PolarHBondContact O-N 3.06Å; I90-S93 WeakPolarHBondContact O-CB 3.42Å; I90-S93 PolarHBondContact O-N 3.49Å; I90-S93 PolarHBondContact O-OG 3.01Å; Q91-S93 VanDerWaalsContact C-N 3.27Å; Q91-S93 PolarHBondContact O-N 3.08Å; S93-L96 PolarHBondContact O-N 2.92Å; S93-K97 VanDerWaalsContact O-CG 3.29Å; S93-K97 WeakPolarHBondContact O-CG 3.42Å; S93-K97 PolarHBondContact O-N 2.89Å
94G98.4Very high98.2Very high31 Ų3147.2 Ų47.232%0.3223%0.232SC..Hα-helixtrans-64.3-45.4175.800000111.8I90 Q91 L92 L96 K97 E98I90-G94 PolarHBondContact O-N 3.45Å; Q91-G94 WeakPolarHBondContact O-CA 3.19Å; Q91-G94 PolarHBondContact O-N 3.26Å; L92-G94 PolarHBondContact O-N 3.2Å; G94-L96 PolarHBondContact O-N 2.9Å; G94-K97 WeakPolarHBondContact O-CB 3.37Å; G94-K97 PolarHBondContact O-N 3.48Å; G94-E98 PolarHBondContact O-N 3.19Å; G94-E98 VanDerWaalsContact O-N 3.12Å
95V97.9Very high98.2Very high45 Ų4549 Ų4927%0.27324%0.238SC..Hα-helixtrans-59.3-46.7175.2176.30000110.8Q91 L92 K97 E98 E99 Q237Q91-V95 PolarHBondContact O-N 3.21Å; L92-V95 PolarHBondContact O-N 3.24Å; L92-V95 VanDerWaalsContact O-N 3.15Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.49Å; V95-E98 PolarHBondContact O-N 3.49Å; V95-E98 VanDerWaalsContact O-N 3.1Å; V95-E99 PolarHBondContact O-N 3.03Å; V95-E99 VanDerWaalsContact O-N 3.1Å; V95-Q237 HydrophobicContact CG1-CG 4.35Å
96L98.2Very high98.1Very high2 Ų250.5 Ų50.51%0.0125%0.245CC..Hα-helixtrans-61.9-37.8177.6-66.8176.1000112.3L41 R44 A45 E48 L92 S93 G94 E98 E99 V100 F238L41-L96 HydrophobicContact CD2-CD2 4.31Å; R44-L96 HydrophobicContact CB-CD1 4.41Å; R44-L96 HydrophobicContact CG-CD1 3.97Å; A45-L96 HydrophobicContact CB-CB 3.74Å; A45-L96 HydrophobicContact CB-CD1 4.33Å; E48-L96 HydrophobicContact CG-CD1 4.2Å; L92-L96 HydrophobicContact CD1-CG 4.35Å; L92-L96 HydrophobicContact CG-CD1 4.4Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.32Å; S93-L96 PolarHBondContact O-N 2.92Å; G94-L96 PolarHBondContact O-N 2.9Å; L96-E98 VanDerWaalsContact C-N 3.29Å; L96-E98 PolarHBondContact O-N 3.43Å; L96-E99 PolarHBondContact O-N 3.43Å; L96-V100 WeakPolarHBondContact O-CG2 3.27Å; L96-V100 PolarHBondContact O-N 3.46Å; L96-F238 HydrophobicContact CD1-CE2 4.06Å; L96-F238 HydrophobicContact CD1-CZ 4.05Å; L96-F238 HydrophobicContact CD2-CE2 4.41Å
97K98.4Very high98.1Very high77 Ų7751.1 Ų51.134%0.33525%0.247SC..Hα-helixtrans-64-32.4174.4-74.9167.1-176.51690112.7A45 E49 S93 G94 V95 V100 K101A45-K97 HydrophobicContact CB-CG 4.04Å; E49-K97 VanDerWaalsContact CD-NZ 3.33Å; E49-K97 IonicContact OE1-NZ 2.78Å; E49-K97 IonicContact OE2-NZ 2.83Å; E49-K97 PolarHBondContact OE2-NZ 3.48Å; S93-K97 VanDerWaalsContact O-CG 3.29Å; S93-K97 WeakPolarHBondContact O-CG 3.42Å; S93-K97 PolarHBondContact O-N 2.89Å; G94-K97 WeakPolarHBondContact O-CB 3.37Å; G94-K97 PolarHBondContact O-N 3.48Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.49Å; K97-V100 WeakPolarHBondContact O-CB 3.38Å; K97-K101 WeakPolarHBondContact O-CG 3.23Å; K97-K101 PolarHBondContact O-N 3.48Å
98E97.7Very high98Very high82 Ų8250.7 Ų50.738%0.38324%0.243SC..Hα-helixtrans-71-37.9172.6-65.6-53.5128.700111.8G94 V95 L96 V100 K101 R102G94-E98 PolarHBondContact O-N 3.19Å; G94-E98 VanDerWaalsContact O-N 3.12Å; V95-E98 PolarHBondContact O-N 3.49Å; V95-E98 VanDerWaalsContact O-N 3.1Å; L96-E98 VanDerWaalsContact C-N 3.29Å; L96-E98 PolarHBondContact O-N 3.43Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 2.97Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-K101 IonicContact OE1-NZ 2.61Å; E98-K101 PolarHBondContact OE1-NZ 3.48Å; E98-K101 IonicContact OE2-NZ 3.84Å; E98-R102 WeakPolarHBondContact O-CG 3.4Å; E98-R102 PolarHBondContact O-N 3.34Å
99E96.6Very high97.9Very high42 Ų4257.3 Ų57.320%0.19627%0.265CS..Hα-helixtrans-62.4-40172.8-60.6-51.5149.600112.3L41 V95 L96 K101 R102 M103L41-E99 HydrophobicContact CD1-CB 4.18Å; V95-E99 PolarHBondContact O-N 3.03Å; V95-E99 VanDerWaalsContact O-N 3.1Å; L96-E99 PolarHBondContact O-N 3.43Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3.04Å; E99-R102 PolarHBondContact O-N 2.92Å; E99-R102 IonicContact OE1-CZ 3.75Å; E99-R102 IonicContact OE1-NH1 3.38Å; E99-R102 PolarHBondContact OE1-NH1 3.17Å; E99-R102 IonicContact OE2-NH1 2.72Å; E99-R102 PolarHBondContact OE2-NH1 3.36Å; E99-M103 PolarHBondContact O-N 2.86Å
100V98.3Very high97.8Very high17 Ų1757 Ų5710%0.10326%0.264CS..Hα-helixtrans-54.1-49.5172.2166.70000110.6E38 L41 K42 L96 K97 E98 R102 M103 E104E38-V100 HydrophobicContact CG-CG1 3.69Å; L41-V100 HydrophobicContact CB-CG2 3.5Å; L41-V100 VanDerWaalsContact CB-CG2 3.5Å; K42-V100 HydrophobicContact CB-CG2 4.17Å; L96-V100 WeakPolarHBondContact O-CG2 3.27Å; L96-V100 PolarHBondContact O-N 3.46Å; K97-V100 WeakPolarHBondContact O-CB 3.38Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 2.97Å; V100-R102 PolarHBondContact O-N 3.36Å; V100-M103 PolarHBondContact O-N 3.18Å; V100-E104 PolarHBondContact O-N 3.26Å
101K97.9Very high97.7Very high99 Ų9957.1 Ų57.143%0.4326%0.262SS..Hα-helixtrans-62.2-40.4178.7-69.6172.4-174.8169.90112.4K97 E98 E99 E104 Q105K97-K101 WeakPolarHBondContact O-CG 3.23Å; K97-K101 PolarHBondContact O-N 3.48Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-K101 IonicContact OE1-NZ 2.61Å; E98-K101 PolarHBondContact OE1-NZ 3.48Å; E98-K101 IonicContact OE2-NZ 3.84Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3.04Å; K101-E104 PolarHBondContact O-N 2.94Å; K101-Q105 VanDerWaalsContact O-CG 3.28Å; K101-Q105 WeakPolarHBondContact O-CG 3.5Å; K101-Q105 PolarHBondContact O-N 3.15Å
102R96.6Very high97.6Very high132 Ų13257.2 Ų57.250%0.49826%0.263SS..Hα-helixtrans-63.7-42.3176.9-68.2-170.4-165.2104.60.9111.5E98 E99 V100 Q105 F106E98-R102 WeakPolarHBondContact O-CG 3.4Å; E98-R102 PolarHBondContact O-N 3.34Å; E99-R102 PolarHBondContact O-N 2.92Å; E99-R102 IonicContact OE1-CZ 3.75Å; E99-R102 IonicContact OE1-NH1 3.38Å; E99-R102 PolarHBondContact OE1-NH1 3.17Å; E99-R102 IonicContact OE2-NH1 2.72Å; E99-R102 PolarHBondContact OE2-NH1 3.36Å; V100-R102 PolarHBondContact O-N 3.36Å; R102-Q105 PolarHBondContact O-N 2.81Å; R102-F106 PolarHBondContact O-N 2.86Å
103M97.7Very high97.5Very high6 Ų661.9 Ų61.93%0.0329%0.285CS..Hα-helixtrans-62.9-42.7176.2-170.761.466.300111.8C34 M37 E38 E99 V100 F106 R107 I226 L227 A230C34-M103 HydrophobicContact CB-SD 3.99Å; C34-M103 WeakPolarHBondContact O-CG 3.35Å; M37-M103 HydrophobicContact CG-CE 4.09Å; E38-M103 HydrophobicContact CB-CG 4.24Å; E99-M103 PolarHBondContact O-N 2.86Å; V100-M103 PolarHBondContact O-N 3.18Å; M103-F106 PolarHBondContact O-N 3.36Å; M103-R107 WeakPolarHBondContact O-CB 3.49Å; M103-R107 PolarHBondContact O-N 2.96Å; M103-I226 HydrophobicContact CE-CG2 3.95Å; M103-I226 HydrophobicContact SD-CG2 4.19Å; M103-L227 HydrophobicContact CE-CD2 3.92Å; M103-L227 HydrophobicContact SD-CD2 4.24Å; M103-A230 HydrophobicContact CE-CB 3.8Å
104E98.1Very high97.4Very high90 Ų9062.6 Ų62.642%0.42129%0.287SS..Hα-helixtrans-59.5-50175.2176.1165.9-151.800111.9E38 V100 K101 F106 R107 E108E38-E104 WeakPolarHBondContact OE2-CB 3.45Å; V100-E104 PolarHBondContact O-N 3.26Å; K101-E104 PolarHBondContact O-N 2.94Å; E104-F106 VanDerWaalsContact C-N 3.34Å; E104-F106 PolarHBondContact O-N 3.5Å; E104-R107 PolarHBondContact O-N 2.75Å; E104-E108 PolarHBondContact O-N 2.96Å
105Q97.8Very high97.3Very high102 Ų10266.5 Ų66.548%0.47730%0.295SS..Hα-helixtrans-60.1-43.7179.3-72.7174.113.100111.9K101 R102 R109K101-Q105 VanDerWaalsContact O-CG 3.28Å; K101-Q105 WeakPolarHBondContact O-CG 3.5Å; K101-Q105 PolarHBondContact O-N 3.15Å; R102-Q105 PolarHBondContact O-N 2.81Å; Q105-R109 WeakPolarHBondContact O-CB 3.36Å; Q105-R109 VanDerWaalsContact O-CG 3.25Å; Q105-R109 WeakPolarHBondContact O-CG 3.47Å; Q105-R109 PolarHBondContact O-N 2.92Å; Q105-R109 VanDerWaalsContact O-N 3.08Å
106F97.8Very high97.3Very high33 Ų3370.9 Ų70.915%0.14531%0.31CS..Hα-helixtrans-60.6-49.5175.2169.8-108000111.4R102 M103 E104 E108 R109 Q110 D222 R223 I226R102-F106 PolarHBondContact O-N 2.86Å; M103-F106 PolarHBondContact O-N 3.36Å; E104-F106 VanDerWaalsContact C-N 3.34Å; E104-F106 PolarHBondContact O-N 3.5Å; F106-E108 VanDerWaalsContact C-N 3.34Å; F106-E108 PolarHBondContact O-N 2.74Å; F106-R109 PolarHBondContact O-N 3.3Å; F106-Q110 WeakPolarHBondContact O-CB 3.37Å; F106-Q110 PolarHBondContact O-N 2.74Å; F106-D222 HydrophobicContact CE2-CB 4.36Å; F106-R223 HydrophobicContact CE1-CB 4.35Å; F106-R223 HydrophobicContact CE1-CG 4.3Å; F106-R223 HydrophobicContact CZ-CB 4.17Å; F106-I226 HydrophobicContact CB-CD1 4.33Å; F106-I226 HydrophobicContact CD1-CD1 4.01Å; F106-I226 HydrophobicContact CD1-CG2 4.09Å; F106-I226 HydrophobicContact CD2-CD1 3.19Å; F106-I226 HydrophobicContact CE1-CD1 4.11Å; F106-I226 HydrophobicContact CE1-CG2 4.43Å; F106-I226 HydrophobicContact CE2-CD1 3.33Å; F106-I226 HydrophobicContact CG-CD1 3.56Å; F106-I226 HydrophobicContact CG-CG2 4.4Å; F106-I226 HydrophobicContact CZ-CD1 3.79Å
107R97.6Very high97.2Very high13 Ų1372.7 Ų72.75%0.04932%0.318CS..Hα-helixtrans-57.7-44.8-179.1-175.1-166.449.4-107.13.8112.2R31 C34 E38 M103 E104 K111R31-R107 HydrophobicContact CG-CG 3.46Å; R31-R107 VanDerWaalsContact CG-CG 3.46Å; C34-R107 HydrophobicContact CB-CB 4.38Å; C34-R107 HydrophobicContact CB-CG 4.35Å; E38-R107 IonicContact OE1-NH2 2.67Å; E38-R107 IonicContact OE2-CZ 2.72Å; E38-R107 IonicContact OE2-NH1 2.74Å; E38-R107 PolarHBondContact OE2-NH1 3.44Å; E38-R107 IonicContact OE2-NH2 3.71Å; E38-R107 PolarHBondContact OE2-NH2 3.49Å; M103-R107 WeakPolarHBondContact O-CB 3.49Å; M103-R107 PolarHBondContact O-N 2.96Å; E104-R107 PolarHBondContact O-N 2.75Å; R107-K111 WeakPolarHBondContact O-CB 3.26Å; R107-K111 PolarHBondContact O-N 3.31Å
108E97.8Very high97.1Very high66 Ų6672 Ų7231%0.30832%0.316SS..Hα-helixtrans-72.1-36-179.3-67.6-50.1113.200112.3R31 E104 F106 K111 E112R31-E108 IonicContact CZ-OE1 3.77Å; R31-E108 IonicContact NE-OE1 3.56Å; R31-E108 IonicContact NH2-OE1 2.71Å; R31-E108 PolarHBondContact NH2-OE1 3.09Å; R31-E108 IonicContact NH2-OE2 3.36Å; R31-E108 PolarHBondContact NH2-OE2 3.05Å; E104-E108 PolarHBondContact O-N 2.96Å; F106-E108 VanDerWaalsContact C-N 3.34Å; F106-E108 PolarHBondContact O-N 2.74Å; E108-K111 WeakPolarHBondContact O-CB 3.47Å; E108-K111 PolarHBondContact O-N 2.75Å; E108-K111 VanDerWaalsContact OE2-CD 3.3Å; E108-K111 WeakPolarHBondContact OE2-CD 3.43Å; E108-K111 IonicContact OE2-NZ 3.22Å; E108-K111 PolarHBondContact OE2-NZ 3.2Å; E108-E112 PolarHBondContact O-N 2.88Å
109R96.6Very high97.1Very high171 Ų17169.6 Ų69.665%0.64531%0.313SS*.Hα-helixtrans-62.4-45.2172.1-73.2174.8-172.5170.95.8112Q105 F106 K111 E112 Q113Q105-R109 WeakPolarHBondContact O-CB 3.36Å; Q105-R109 VanDerWaalsContact O-CG 3.25Å; Q105-R109 WeakPolarHBondContact O-CG 3.47Å; Q105-R109 PolarHBondContact O-N 2.92Å; Q105-R109 VanDerWaalsContact O-N 3.08Å; F106-R109 PolarHBondContact O-N 3.3Å; R109-K111 VanDerWaalsContact C-N 3.33Å; R109-K111 PolarHBondContact O-N 2.73Å; R109-E112 PolarHBondContact O-N 2.94Å; R109-Q113 PolarHBondContact O-N 2.85Å
110Q95.9Very high97.1Very high7 Ų770.8 Ų70.83%0.03332%0.32CS..Hα-helixtrans-61.3-43178.3-171-173.560.300111.3F106 E112 Q113 R114 Q219F106-Q110 WeakPolarHBondContact O-CB 3.37Å; F106-Q110 PolarHBondContact O-N 2.74Å; Q110-E112 PolarHBondContact O-N 2.86Å; Q110-Q113 PolarHBondContact O-N 3.02Å; Q110-R114 WeakPolarHBondContact O-CB 3.29Å; Q110-R114 PolarHBondContact O-N 3.04Å; Q110-Q219 PolarHBondContact NE2-O 2.94Å
111K97.1Very high97.1Very high53 Ų5370 Ų7023%0.2332%0.316CS..Hα-helixtrans-59-46.3175.4178.6-148-167.3177.70112.4R107 E108 R109 R114 K115R107-K111 WeakPolarHBondContact O-CB 3.26Å; R107-K111 PolarHBondContact O-N 3.31Å; E108-K111 WeakPolarHBondContact O-CB 3.47Å; E108-K111 PolarHBondContact O-N 2.75Å; E108-K111 VanDerWaalsContact OE2-CD 3.3Å; E108-K111 WeakPolarHBondContact OE2-CD 3.43Å; E108-K111 IonicContact OE2-NZ 3.22Å; E108-K111 PolarHBondContact OE2-NZ 3.2Å; R109-K111 VanDerWaalsContact C-N 3.33Å; R109-K111 PolarHBondContact O-N 2.73Å; K111-R114 PolarHBondContact O-N 3.34Å; K111-K115 PolarHBondContact O-N 2.97Å
112E97Very high97.1Very high125 Ų12568.3 Ų68.358%0.58431%0.311SS*.Hα-helixtrans-64.2-46-178.6-173.257.4-149.900111.3E108 R109 Q110 R114 K115 K116E108-E112 PolarHBondContact O-N 2.88Å; R109-E112 PolarHBondContact O-N 2.94Å; Q110-E112 PolarHBondContact O-N 2.86Å; E112-R114 PolarHBondContact O-N 2.94Å; E112-K115 PolarHBondContact O-N 3.49Å; E112-K116 PolarHBondContact O-N 3.01Å; E112-K116 VanDerWaalsContact O-N 3.1Å
113Q95.4Very high97.1Very high104 Ų10469 Ų6949%0.48632%0.318SS..Hα-helixtrans-61.1-46.5175.5-71.5-170.6-10.100111.7R109 Q110 K115 K116 F117 Q219R109-Q113 PolarHBondContact O-N 2.85Å; Q110-Q113 PolarHBondContact O-N 3.02Å; Q113-K115 VanDerWaalsContact C-N 3.35Å; Q113-K115 PolarHBondContact O-N 2.98Å; Q113-K116 WeakPolarHBondContact O-CB 3.44Å; Q113-K116 PolarHBondContact O-N 2.75Å; Q113-F117 WeakPolarHBondContact O-CD2 3.4Å; Q113-F117 PolarHBondContact O-N 3.44Å; Q113-Q219 VanDerWaalsContact OE1-NE2 3.14Å
114R96.6Very high97.1Very high17 Ų1769.1 Ų69.16%0.06432%0.319CS..Hα-helixtrans-56.8-48177.2-174-172.271.9-151.88.7111.7I24 L27 C28 Q110 K111 E112 K116 F117 E118 F216I24-R114 HydrophobicContact CD1-CG 4.33Å; L27-R114 HydrophobicContact CD1-CG 4.04Å; L27-R114 PolarHBondContact O-NH1 3.36Å; C28-R114 VanDerWaalsContact SG-CZ 3.56Å; Q110-R114 WeakPolarHBondContact O-CB 3.29Å; Q110-R114 PolarHBondContact O-N 3.04Å; K111-R114 PolarHBondContact O-N 3.34Å; E112-R114 PolarHBondContact O-N 2.94Å; R114-K116 VanDerWaalsContact C-N 3.26Å; R114-K116 PolarHBondContact O-N 3.3Å; R114-F117 PolarHBondContact O-N 2.99Å; R114-E118 WeakPolarHBondContact O-CB 3.5Å; R114-E118 PolarHBondContact O-N 2.93Å; R114-F216 HydrophobicContact CG-CE1 4.19Å; R114-F216 HydrophobicContact CG-CZ 4.26Å
115K97.1Very high97.1Very high114 Ų11465.8 Ų65.850%0.49630%0.303SS..Hα-helixtrans-59.3-35.3179.1-82.6-164.2170-163.30113.2K111 E112 Q113 E118 G119K111-K115 PolarHBondContact O-N 2.97Å; E112-K115 PolarHBondContact O-N 3.49Å; Q113-K115 VanDerWaalsContact C-N 3.35Å; Q113-K115 PolarHBondContact O-N 2.98Å; K115-E118 PolarHBondContact O-N 2.97Å; K115-G119 PolarHBondContact O-N 2.96Å
116K96.6Very high97.1Very high137 Ų13767.7 Ų67.760%0.59631%0.31SS*.Hα-helixtrans-59.9-50.3175.5-179.5-173.4174.6-1740111.4E112 Q113 R114 G119 I120E112-K116 PolarHBondContact O-N 3.01Å; E112-K116 VanDerWaalsContact O-N 3.1Å; Q113-K116 WeakPolarHBondContact O-CB 3.44Å; Q113-K116 PolarHBondContact O-N 2.75Å; R114-K116 VanDerWaalsContact C-N 3.26Å; R114-K116 PolarHBondContact O-N 3.3Å; K116-G119 PolarHBondContact O-N 3.46Å; K116-I120 WeakPolarHBondContact O-CG1 3.3Å; K116-I120 PolarHBondContact O-N 3.15Å
117F96.6Very high97.1Very high40 Ų4070.3 Ų70.318%0.17533%0.325CS..Hα-helixtrans-70.6-35.3179.3-74.8-85.5000112Q113 R114 G119 I120 M121 T212 V215 F216Q113-F117 WeakPolarHBondContact O-CD2 3.4Å; Q113-F117 PolarHBondContact O-N 3.44Å; R114-F117 PolarHBondContact O-N 2.99Å; F117-G119 VanDerWaalsContact C-N 3.31Å; F117-G119 PolarHBondContact O-N 3.45Å; F117-I120 PolarHBondContact O-N 3.42Å; F117-I120 VanDerWaalsContact O-N 3.07Å; F117-M121 PolarHBondContact O-N 2.88Å; F117-T212 HydrophobicContact CB-CG2 4.19Å; F117-V215 HydrophobicContact CD2-CG1 4Å; F117-V215 HydrophobicContact CE1-CG2 4.04Å; F117-V215 HydrophobicContact CE2-CB 4.42Å; F117-V215 HydrophobicContact CE2-CG1 3.67Å; F117-V215 HydrophobicContact CE2-CG2 4.31Å; F117-V215 HydrophobicContact CZ-CB 4.28Å; F117-V215 HydrophobicContact CZ-CG1 3.99Å; F117-V215 HydrophobicContact CZ-CG2 3.76Å; F117-F216 HydrophobicContact CB-CE1 3.86Å; F117-F216 HydrophobicContact CB-CZ 4.08Å; F117-F216 HydrophobicContact CG-CE1 4.49Å
118E96.2Very high97.2Very high62 Ų6270 Ų7029%0.2932%0.324SS..Hα-helixtrans-56.7-46.1174.2-171.8-178.9151.100111.4Y20 I24 R114 K115 I120 M121 D122Y20-E118 VanDerWaalsContact OH-CA 3.25Å; Y20-E118 WeakPolarHBondContact OH-CA 3.22Å; Y20-E118 WeakPolarHBondContact OH-CG 2.92Å; I24-E118 HydrophobicContact CD1-CG 4.5Å; R114-E118 WeakPolarHBondContact O-CB 3.5Å; R114-E118 PolarHBondContact O-N 2.93Å; K115-E118 PolarHBondContact O-N 2.97Å; E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 3.41Å; E118-M121 PolarHBondContact O-N 3.04Å; E118-D122 VanDerWaalsContact O-CB 3.31Å; E118-D122 WeakPolarHBondContact O-CB 3.3Å; E118-D122 PolarHBondContact O-N 3.1Å
119G97.4Very high97.2Very high31 Ų3168.4 Ų68.432%0.3232%0.318SS..Hα-helixtrans-67.2-26.4176.100000114.9K115 K116 F117 K123K115-G119 PolarHBondContact O-N 2.96Å; K116-G119 PolarHBondContact O-N 3.46Å; F117-G119 VanDerWaalsContact C-N 3.31Å; F117-G119 PolarHBondContact O-N 3.45Å; G119-K123 WeakPolarHBondContact O-CD 3.05Å; G119-K123 VanDerWaalsContact O-CG 3.25Å; G119-K123 WeakPolarHBondContact O-CG 3.43Å
120I97.4Very high97.3Very high68 Ų6863.8 Ų63.835%0.34931%0.312SS..Hα-helixtrans-75.2-51175.1-66.6166.3000109.3K116 F117 E118 D122 K123 V124 T208K116-I120 WeakPolarHBondContact O-CG1 3.3Å; K116-I120 PolarHBondContact O-N 3.15Å; F117-I120 PolarHBondContact O-N 3.42Å; F117-I120 VanDerWaalsContact O-N 3.07Å; E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 3.41Å; I120-D122 VanDerWaalsContact C-N 3.34Å; I120-D122 PolarHBondContact O-N 2.78Å; I120-K123 PolarHBondContact O-N 3.34Å; I120-K123 VanDerWaalsContact O-N 3.15Å; I120-V124 PolarHBondContact O-N 3.3Å; I120-T208 HydrophobicContact CG2-CG2 3.84Å
121M97.8Very high97.4Very high1 Ų165 Ų651%0.00532%0.319CS..Hα-helixtrans-61.5-42.7-178-169.759.8173.800111.8Y20 F117 E118 K123 V124 Q125 W205 T208 H209Y20-M121 HydrophobicContact CD1-CG 4.37Å; Y20-M121 HydrophobicContact CD2-CB 4.48Å; Y20-M121 HydrophobicContact CD2-CE 4.4Å; Y20-M121 HydrophobicContact CD2-CG 3.75Å; Y20-M121 HydrophobicContact CE1-CG 4.17Å; Y20-M121 HydrophobicContact CE2-CB 3.8Å; Y20-M121 HydrophobicContact CE2-CG 3.54Å; Y20-M121 HydrophobicContact CG-CE 4.4Å; Y20-M121 HydrophobicContact CG-CG 4.15Å; F117-M121 PolarHBondContact O-N 2.88Å; E118-M121 PolarHBondContact O-N 3.04Å; M121-K123 VanDerWaalsContact C-N 3.28Å; M121-K123 PolarHBondContact O-N 3.29Å; M121-V124 PolarHBondContact O-N 3.44Å; M121-Q125 VanDerWaalsContact O-CB 3.24Å; M121-Q125 WeakPolarHBondContact O-CB 3.32Å; M121-Q125 PolarHBondContact O-N 3.47Å; M121-W205 HydrophobicContact CE-CD2 4.47Å; M121-W205 VanDerWaalsContact CE-CE2 3.45Å; M121-W205 HydrophobicContact CE-CZ2 3.57Å; M121-T208 HydrophobicContact SD-CG2 4.32Å; M121-H209 HydrophobicContact CE-CB 3.95Å; M121-H209 VanDerWaalsContact CE-ND1 3.35Å; M121-H209 WeakPolarHBondContact CE-ND1 3.3Å
122D97.3Very high97.5Very high63 Ų6365.7 Ų65.734%0.33732%0.321SS..Hα-helixtrans-56.8-40.1175.6-9620.6000113E118 I120 K126E118-D122 VanDerWaalsContact O-CB 3.31Å; E118-D122 WeakPolarHBondContact O-CB 3.3Å; E118-D122 PolarHBondContact O-N 3.1Å; I120-D122 VanDerWaalsContact C-N 3.34Å; I120-D122 PolarHBondContact O-N 2.78Å; D122-K126 WeakPolarHBondContact O-CB 3.47Å; D122-K126 WeakPolarHBondContact O-CD 3.31Å; D122-K126 WeakPolarHBondContact O-CG 3.45Å; D122-K126 PolarHBondContact O-N 3.31Å; D122-K126 IonicContact OD2-NZ 3.5Å
123K97.9Very high97.5Very high145 Ų14566.3 Ų66.363%0.6332%0.321SS*.Hα-helixtrans-68.3-50.9-179.9-73.3171-172.6177.20110.6G119 I120 M121 Q125 K126 I127G119-K123 WeakPolarHBondContact O-CD 3.05Å; G119-K123 VanDerWaalsContact O-CG 3.25Å; G119-K123 WeakPolarHBondContact O-CG 3.43Å; I120-K123 PolarHBondContact O-N 3.34Å; I120-K123 VanDerWaalsContact O-N 3.15Å; M121-K123 VanDerWaalsContact C-N 3.28Å; M121-K123 PolarHBondContact O-N 3.29Å; K123-Q125 VanDerWaalsContact C-N 3.34Å; K123-Q125 PolarHBondContact O-N 2.98Å; K123-K126 PolarHBondContact O-N 3.03Å; K123-I127 WeakPolarHBondContact O-CG1 3.32Å; K123-I127 PolarHBondContact O-N 3.39Å; K123-I127 VanDerWaalsContact O-N 3.1Å
124V97.8Very high97.7Very high10 Ų1065.8 Ų65.86%0.06132%0.317CS..Hα-helixtrans-64.9-41.1-177.9-175.20000110.4I120 M121 K126 I127 K128 I201 E204 W205 T208I120-V124 PolarHBondContact O-N 3.3Å; M121-V124 PolarHBondContact O-N 3.44Å; V124-K126 PolarHBondContact O-N 3.01Å; V124-I127 PolarHBondContact O-N 3.42Å; V124-K128 WeakPolarHBondContact O-CB 3.48Å; V124-K128 PolarHBondContact O-N 3.12Å; V124-I201 HydrophobicContact CG1-CD1 4.02Å; V124-E204 HydrophobicContact CG1-CG 4.46Å; V124-W205 HydrophobicContact CG1-CB 3.73Å; V124-W205 HydrophobicContact CG1-CG 4.23Å; V124-T208 HydrophobicContact CG2-CG2 4.41Å
125Q97.7Very high97.8Very high20 Ų2065.2 Ų65.29%0.09332%0.316CS..Hα-helixtrans-62.7-43.2175.7-178.863.1-0.300112.3I15 M121 K123 I127 K128 V129I15-Q125 PolarHBondContact O-NE2 3.31Å; M121-Q125 VanDerWaalsContact O-CB 3.24Å; M121-Q125 WeakPolarHBondContact O-CB 3.32Å; M121-Q125 PolarHBondContact O-N 3.47Å; K123-Q125 VanDerWaalsContact C-N 3.34Å; K123-Q125 PolarHBondContact O-N 2.98Å; Q125-I127 VanDerWaalsContact C-N 3.34Å; Q125-I127 PolarHBondContact O-N 2.88Å; Q125-K128 PolarHBondContact O-N 2.92Å; Q125-V129 HydrophobicContact CG-CG2 4.45Å; Q125-V129 WeakPolarHBondContact O-CB 3.14Å; Q125-V129 VanDerWaalsContact O-CG2 3.27Å; Q125-V129 WeakPolarHBondContact O-CG2 3.47Å; Q125-V129 PolarHBondContact O-N 3.33Å
126K98.1Very high97.8Very high141 Ų14162.5 Ų62.561%0.61331%0.306SS*.Hα-helixtrans-60.9-42.1176.3-78.3167.8-173.2162.90112.1D122 K123 V124 S130D122-K126 WeakPolarHBondContact O-CB 3.47Å; D122-K126 WeakPolarHBondContact O-CD 3.31Å; D122-K126 WeakPolarHBondContact O-CG 3.45Å; D122-K126 PolarHBondContact O-N 3.31Å; D122-K126 IonicContact OD2-NZ 3.5Å; K123-K126 PolarHBondContact O-N 3.03Å; V124-K126 PolarHBondContact O-N 3.01Å; K126-S130 WeakPolarHBondContact O-CB 3.43Å; K126-S130 PolarHBondContact O-N 2.9Å
127I98.3Very high97.9Very high88 Ų8862.2 Ų62.245%0.45131%0.306SS..Hα-helixtrans-66.1-47177.8-62.4167000110.2K123 V124 Q125 V129 S130 L131 I201K123-I127 WeakPolarHBondContact O-CG1 3.32Å; K123-I127 PolarHBondContact O-N 3.39Å; K123-I127 VanDerWaalsContact O-N 3.1Å; V124-I127 PolarHBondContact O-N 3.42Å; Q125-I127 VanDerWaalsContact C-N 3.34Å; Q125-I127 PolarHBondContact O-N 2.88Å; I127-V129 PolarHBondContact O-N 2.91Å; I127-S130 WeakPolarHBondContact O-CB 3.39Å; I127-S130 PolarHBondContact O-N 3.17Å; I127-L131 HydrophobicContact CG2-CD1 3.98Å; I127-L131 HydrophobicContact CG2-CG 4.42Å; I127-L131 PolarHBondContact O-N 2.86Å; I127-I201 HydrophobicContact CB-CD1 4.14Å; I127-I201 HydrophobicContact CB-CG1 4.32Å; I127-I201 HydrophobicContact CG2-CD1 3.76Å; I127-I201 HydrophobicContact CG2-CG1 3.88Å
128K98.2Very high98Very high7 Ų760.9 Ų60.93%0.0330%0.302CS..Hα-helixtrans-55.5-48.3176.3176.7-178.4154.5-165.40112F14 V124 Q125 S130 L131 Y132 I201 W205F14-K128 HydrophobicContact CE1-CD 4.35Å; F14-K128 HydrophobicContact CE1-CG 3.75Å; F14-K128 HydrophobicContact CZ-CG 4.35Å; F14-K128 WeakPolarHBondContact O-CE 3.45Å; F14-K128 PolarHBondContact O-NZ 3Å; V124-K128 WeakPolarHBondContact O-CB 3.48Å; V124-K128 PolarHBondContact O-N 3.12Å; Q125-K128 PolarHBondContact O-N 2.92Å; K128-S130 PolarHBondContact O-N 3.15Å; K128-L131 PolarHBondContact O-N 3.01Å; K128-Y132 WeakPolarHBondContact O-CB 3.42Å; K128-Y132 PolarHBondContact O-N 3.03Å; K128-I201 HydrophobicContact CB-CG1 4.04Å; K128-I201 HydrophobicContact CB-CG2 4.46Å; K128-W205 HydrophobicContact CD-CB 3.86Å; K128-W205 HydrophobicContact CD-CD2 3.81Å; K128-W205 HydrophobicContact CD-CE3 4.4Å; K128-W205 HydrophobicContact CD-CG 3.51Å; K128-W205 VanDerWaalsContact NZ-CD2 3.29Å
129V98.3Very high98.1Very high32 Ų3261.7 Ų61.719%0.19431%0.305CS..Hα-helixtrans-63.7-40.4177.9172.30000111.7I15 Q125 I127 Y132 K133I15-V129 HydrophobicContact CB-CG2 4.13Å; I15-V129 HydrophobicContact CG2-CG2 4.14Å; Q125-V129 HydrophobicContact CG-CG2 4.45Å; Q125-V129 WeakPolarHBondContact O-CB 3.14Å; Q125-V129 VanDerWaalsContact O-CG2 3.27Å; Q125-V129 WeakPolarHBondContact O-CG2 3.47Å; Q125-V129 PolarHBondContact O-N 3.33Å; I127-V129 PolarHBondContact O-N 2.91Å; V129-Y132 PolarHBondContact O-N 3.33Å; V129-K133 HydrophobicContact CG1-CD 4.47Å; V129-K133 WeakPolarHBondContact O-CG 3.2Å; V129-K133 PolarHBondContact O-N 3.44Å; V129-K133 VanDerWaalsContact O-N 3.08Å
130S98.4Very high98.2Very high75 Ų7568.5 Ų68.552%0.52432%0.321SS..Hα-helixtrans-63.5-49.6177.2-175.70000112K126 I127 K128 Y132 K133 K134K126-S130 WeakPolarHBondContact O-CB 3.43Å; K126-S130 PolarHBondContact O-N 2.9Å; I127-S130 WeakPolarHBondContact O-CB 3.39Å; I127-S130 PolarHBondContact O-N 3.17Å; K128-S130 PolarHBondContact O-N 3.15Å; S130-Y132 VanDerWaalsContact C-N 3.31Å; S130-Y132 PolarHBondContact O-N 2.82Å; S130-K133 PolarHBondContact O-N 2.77Å; S130-K134 PolarHBondContact O-N 2.83Å
131L98.4Very high98.2Very high31 Ų3168.2 Ų68.216%0.16232%0.322CS..Hα-helixtrans-64.8-35.6178.1-73.9176.4000112I127 K128 K134 T135 L198 I201I127-L131 HydrophobicContact CG2-CD1 3.98Å; I127-L131 HydrophobicContact CG2-CG 4.42Å; I127-L131 PolarHBondContact O-N 2.86Å; K128-L131 PolarHBondContact O-N 3.01Å; L131-K134 PolarHBondContact O-N 3.03Å; L131-T135 VanDerWaalsContact O-CB 3.3Å; L131-T135 WeakPolarHBondContact O-CB 3.45Å; L131-T135 PolarHBondContact O-N 2.82Å; L131-T135 PolarHBondContact O-OG1 2.71Å; L131-L198 HydrophobicContact CB-CD1 4Å; L131-I201 HydrophobicContact CB-CG2 4.26Å; L131-I201 HydrophobicContact CD1-CB 3.9Å; L131-I201 HydrophobicContact CD1-CG1 4.39Å; L131-I201 HydrophobicContact CD1-CG2 3.58Å
132Y98.5Very high98.2Very high69 Ų6970.8 Ų70.827%0.27133%0.332SS..Hα-helixtrans-60.1-50.3173.2178.1-97.3000111.3F14 I15 K128 V129 S130 K134 T135 M136 L198F14-Y132 HydrophobicContact CB-CD2 4.26Å; F14-Y132 HydrophobicContact CB-CE2 4Å; F14-Y132 AromaticContact CD1-CD2 3.28Å; F14-Y132 HydrophobicContact CD1-CD2 3.28Å; F14-Y132 AromaticContact CD1-CE2 3.92Å; F14-Y132 HydrophobicContact CD1-CE2 3.92Å; F14-Y132 AromaticContact CD1-CG 3.81Å; F14-Y132 HydrophobicContact CD1-CG 3.81Å; F14-Y132 AromaticContact CE1-CD2 3.72Å; F14-Y132 HydrophobicContact CE1-CD2 3.72Å; F14-Y132 HydrophobicContact CE1-CG 4.17Å; F14-Y132 AromaticContact CG-CD2 3.81Å; F14-Y132 HydrophobicContact CG-CD2 3.81Å; F14-Y132 AromaticContact CG-CE2 4Å; F14-Y132 HydrophobicContact CG-CE2 4Å; I15-Y132 HydrophobicContact CG2-CD1 3.43Å; I15-Y132 VanDerWaalsContact CG2-CD1 3.43Å; I15-Y132 HydrophobicContact CG2-CD2 4.41Å; I15-Y132 HydrophobicContact CG2-CE1 3.95Å; I15-Y132 HydrophobicContact CG2-CG 3.69Å; K128-Y132 WeakPolarHBondContact O-CB 3.42Å; K128-Y132 PolarHBondContact O-N 3.03Å; V129-Y132 PolarHBondContact O-N 3.33Å; S130-Y132 VanDerWaalsContact C-N 3.31Å; S130-Y132 PolarHBondContact O-N 2.82Å; Y132-K134 PolarHBondContact O-N 2.81Å; Y132-T135 PolarHBondContact O-N 3Å; Y132-M136 HydrophobicContact CD1-CG 4.19Å; Y132-M136 HydrophobicContact CD2-CG 4.39Å; Y132-M136 HydrophobicContact CE1-CG 3.78Å; Y132-M136 HydrophobicContact CE2-CG 4Å; Y132-M136 HydrophobicContact CE2-SD 4.21Å; Y132-M136 HydrophobicContact CG-CG 4.48Å; Y132-M136 WeakPolarHBondContact O-CG 3.49Å; Y132-M136 PolarHBondContact O-N 3.22Å; Y132-L198 HydrophobicContact CD2-CD2 4.18Å
133K98.4Very high98.3Very high137 Ų13770.6 Ų70.660%0.59633%0.331SS*.Hα-helixtrans-58.4-47.6177.8-72.6177-178.7-178.60111.8V129 S130 T135 M136 E137V129-K133 HydrophobicContact CG1-CD 4.47Å; V129-K133 WeakPolarHBondContact O-CG 3.2Å; V129-K133 PolarHBondContact O-N 3.44Å; V129-K133 VanDerWaalsContact O-N 3.08Å; S130-K133 PolarHBondContact O-N 2.77Å; K133-T135 VanDerWaalsContact C-N 3.31Å; K133-T135 PolarHBondContact O-N 3.13Å; K133-M136 PolarHBondContact O-N 3.38Å; K133-E137 PolarHBondContact O-N 3.44Å
134K98.3Very high98.3Very high94 Ų9467.3 Ų67.341%0.40932%0.318SS..Hα-helixtrans-58.1-42.9176.8-175.5-174.6176.6-163.30111.9S130 L131 Y132 E137 S138 N194S130-K134 PolarHBondContact O-N 2.83Å; L131-K134 PolarHBondContact O-N 3.03Å; Y132-K134 PolarHBondContact O-N 2.81Å; K134-E137 PolarHBondContact O-N 3.35Å; K134-S138 PolarHBondContact O-N 3.37Å; K134-S138 PolarHBondContact O-OG 2.94Å; K134-N194 VanDerWaalsContact CE-OD1 3.25Å; K134-N194 WeakPolarHBondContact CE-OD1 3.28Å; K134-N194 PolarHBondContact NZ-OD1 2.75Å
135T98.6Very high98.3Very high5 Ų571.5 Ų71.53%0.03133%0.333CS..Hα-helixtrans-66.1-45.4179.7-580000111.2L131 Y132 K133 E137 S138 K139 Y191 N194 I195 L198L131-T135 VanDerWaalsContact O-CB 3.3Å; L131-T135 WeakPolarHBondContact O-CB 3.45Å; L131-T135 PolarHBondContact O-N 2.82Å; L131-T135 PolarHBondContact O-OG1 2.71Å; Y132-T135 PolarHBondContact O-N 3Å; K133-T135 VanDerWaalsContact C-N 3.31Å; K133-T135 PolarHBondContact O-N 3.13Å; T135-E137 VanDerWaalsContact C-N 3.3Å; T135-E137 PolarHBondContact O-N 3.19Å; T135-S138 WeakPolarHBondContact CA-OG 3.46Å; T135-S138 PolarHBondContact O-N 2.8Å; T135-S138 PolarHBondContact O-OG 2.82Å; T135-K139 PolarHBondContact O-N 3.12Å; T135-Y191 HydrophobicContact CG2-CD2 4.23Å; T135-Y191 HydrophobicContact CG2-CE2 3.76Å; T135-N194 HydrophobicContact CG2-CB 4.37Å; T135-N194 PolarHBondContact OG1-O 3.02Å; T135-I195 HydrophobicContact CG2-CG1 4Å; T135-L198 HydrophobicContact CG2-CD2 3.87Å
136M98.3Very high98.3Very high57 Ų5772 Ų7228%0.28134%0.338SS..Hα-helixtrans-65-32.9177.1-67.6-54.5-65.900112.7Y132 K133 K139 R140Y132-M136 HydrophobicContact CD1-CG 4.19Å; Y132-M136 HydrophobicContact CD2-CG 4.39Å; Y132-M136 HydrophobicContact CE1-CG 3.78Å; Y132-M136 HydrophobicContact CE2-CG 4Å; Y132-M136 HydrophobicContact CE2-SD 4.21Å; Y132-M136 HydrophobicContact CG-CG 4.48Å; Y132-M136 WeakPolarHBondContact O-CG 3.49Å; Y132-M136 PolarHBondContact O-N 3.22Å; K133-M136 PolarHBondContact O-N 3.38Å; M136-K139 HydrophobicContact CE-CD 4.39Å; M136-R140 WeakPolarHBondContact O-CG 3.3Å; M136-R140 PolarHBondContact O-N 3.3Å
137E98.4Very high98.3Very high130 Ų13071.1 Ų71.161%0.60733%0.331SS*.Hα-helixtrans-67.9-47.9172.3-175160.5-161.400111.6K133 K134 T135 K139 R140 T141K133-E137 PolarHBondContact O-N 3.44Å; K134-E137 PolarHBondContact O-N 3.35Å; T135-E137 VanDerWaalsContact C-N 3.3Å; T135-E137 PolarHBondContact O-N 3.19Å; E137-K139 VanDerWaalsContact C-N 3.26Å; E137-K139 PolarHBondContact O-N 2.94Å; E137-R140 PolarHBondContact O-N 3.45Å; E137-R140 VanDerWaalsContact O-N 3.1Å; E137-T141 PolarHBondContact O-N 2.98Å; E137-T141 PolarHBondContact O-OG1 2.87Å
138S98.4Very high98.2Very high13 Ų1370.4 Ų70.49%0.09133%0.326CS..Hα-helixtrans-61.4-33.1175.655.80000113.4K134 T135 T141 Y142 Y191 N194K134-S138 PolarHBondContact O-N 3.37Å; K134-S138 PolarHBondContact O-OG 2.94Å; T135-S138 WeakPolarHBondContact CA-OG 3.46Å; T135-S138 PolarHBondContact O-N 2.8Å; T135-S138 PolarHBondContact O-OG 2.82Å; S138-T141 PolarHBondContact O-N 3.46Å; S138-Y142 WeakPolarHBondContact O-CB 3.4Å; S138-Y142 PolarHBondContact O-N 3.49Å; S138-Y191 WeakPolarHBondContact OG-CD2 3.49Å; S138-N194 VanDerWaalsContact CB-ND2 3.28Å; S138-N194 WeakPolarHBondContact CB-ND2 3.3Å; S138-N194 PolarHBondContact OG-ND2 3.48Å
139K98.6Very high98.1Very high79 Ų7970.3 Ų70.334%0.34333%0.326SS..Hα-helixtrans-59.4-51171.8-176.5-176.9179.1176.90111T135 M136 E137 T141 Y142 D143 Y191T135-K139 PolarHBondContact O-N 3.12Å; M136-K139 HydrophobicContact CE-CD 4.39Å; E137-K139 VanDerWaalsContact C-N 3.26Å; E137-K139 PolarHBondContact O-N 2.94Å; K139-T141 VanDerWaalsContact C-N 3.29Å; K139-T141 PolarHBondContact O-N 3.5Å; K139-Y142 PolarHBondContact O-N 2.94Å; K139-D143 PolarHBondContact O-N 3.31Å; K139-Y191 HydrophobicContact CB-CD2 4.17Å; K139-Y191 HydrophobicContact CB-CE1 4.07Å; K139-Y191 HydrophobicContact CB-CE2 3.64Å; K139-Y191 WeakPolarHBondContact CD-OH 3.1Å; K139-Y191 HydrophobicContact CG-CE1 3.9Å; K139-Y191 HydrophobicContact CG-CE2 4.25Å
140R98.5Very high98Very high174 Ų17472.9 Ų72.966%0.65734%0.339SS*.Hα-helixtrans-60.9-40178.8-68.7172.8-170.6161.12.1111.7M136 E137 Q144M136-R140 WeakPolarHBondContact O-CG 3.3Å; M136-R140 PolarHBondContact O-N 3.3Å; E137-R140 PolarHBondContact O-N 3.45Å; E137-R140 VanDerWaalsContact O-N 3.1Å; R140-Q144 WeakPolarHBondContact O-CB 3.24Å; R140-Q144 PolarHBondContact O-N 3.01Å
141T98.3Very high97.9Very high61 Ų6175.2 Ų75.237%0.37434%0.342SS..Hα-helixtrans-63.3-47.1175.3-55.90000111.3E137 S138 K139 Q144 R145E137-T141 PolarHBondContact O-N 2.98Å; E137-T141 PolarHBondContact O-OG1 2.87Å; S138-T141 PolarHBondContact O-N 3.46Å; K139-T141 VanDerWaalsContact C-N 3.29Å; K139-T141 PolarHBondContact O-N 3.5Å; T141-Q144 PolarHBondContact O-N 3.03Å; T141-R145 HydrophobicContact CG2-CG 4.35Å; T141-R145 VanDerWaalsContact O-CG 3.28Å; T141-R145 WeakPolarHBondContact O-CG 3.29Å; T141-R145 PolarHBondContact O-N 2.72Å
142Y98.6Very high97.7Very high56 Ų5674.5 Ų74.522%0.2234%0.34CS..Hα-helixtrans-57.8-51.9175.5168.8-108.1000111.3S138 K139 Q144 R145 C146 A187 E188 Y191S138-Y142 WeakPolarHBondContact O-CB 3.4Å; S138-Y142 PolarHBondContact O-N 3.49Å; K139-Y142 PolarHBondContact O-N 2.94Å; Y142-Q144 PolarHBondContact O-N 3.42Å; Y142-R145 PolarHBondContact O-N 2.85Å; Y142-C146 WeakPolarHBondContact CE2-SG 3.38Å; Y142-C146 VanDerWaalsContact CZ-SG 3.51Å; Y142-C146 PolarHBondContact O-N 3.27Å; Y142-C146 PolarHBondContact O-SG 3.22Å; Y142-C146 VanDerWaalsContact O-SG 3.4Å; Y142-A187 HydrophobicContact CD2-CB 4.45Å; Y142-E188 HydrophobicContact CD2-CB 3.78Å; Y142-E188 HydrophobicContact CD2-CG 4.41Å; Y142-E188 HydrophobicContact CE2-CB 3.5Å; Y142-E188 VanDerWaalsContact CE2-CB 3.5Å; Y142-E188 HydrophobicContact CE2-CG 3.8Å; Y142-E188 PolarHBondContact OH-OE1 3.48Å; Y142-Y191 HydrophobicContact CD1-CD1 4.02Å; Y142-Y191 HydrophobicContact CD1-CE1 4.48Å; Y142-Y191 HydrophobicContact CG-CD1 4.29Å
143D98.3Very high97.4Very high58 Ų5873.9 Ų73.931%0.3134%0.34SS..Hα-helixtrans-55.6-39.6178.1-65.9-16.1000111.7K139 R147K139-D143 PolarHBondContact O-N 3.31Å; D143-R147 WeakPolarHBondContact O-CG 3.38Å; D143-R147 PolarHBondContact O-N 3.27Å
144Q98.1Very high97.2Very high77 Ų7771.7 Ų71.736%0.3633%0.332SS..Hα-helixtrans-68.6-43.2176.8-178.957.631.200112.4R140 T141 Y142 C146 R147 E148R140-Q144 WeakPolarHBondContact O-CB 3.24Å; R140-Q144 PolarHBondContact O-N 3.01Å; T141-Q144 PolarHBondContact O-N 3.03Å; Y142-Q144 PolarHBondContact O-N 3.42Å; Q144-C146 VanDerWaalsContact C-N 3.34Å; Q144-R147 PolarHBondContact O-N 2.93Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.37Å; Q144-E148 PolarHBondContact NE2-OE1 3.5Å; Q144-E148 WeakPolarHBondContact O-CG 3.34Å; Q144-E148 PolarHBondContact O-N 3.05Å
145R97.8Very high96.9Very high97 Ų9770.7 Ų70.737%0.36633%0.333SS..Hα-helixtrans-68.1-33.6179-66.8-62.5178.180.7-0.3112.4T141 Y142 E148 A149 A184 A187T141-R145 HydrophobicContact CG2-CG 4.35Å; T141-R145 VanDerWaalsContact O-CG 3.28Å; T141-R145 WeakPolarHBondContact O-CG 3.29Å; T141-R145 PolarHBondContact O-N 2.72Å; Y142-R145 PolarHBondContact O-N 2.85Å; R145-E148 IonicContact NE-OE2 2.77Å; R145-E148 PolarHBondContact O-N 3.19Å; R145-A149 WeakPolarHBondContact O-CB 3.17Å; R145-A149 PolarHBondContact O-N 3.4Å; R145-A184 HydrophobicContact CB-CB 4.12Å; R145-A187 HydrophobicContact CB-CB 4.32Å; R145-A187 HydrophobicContact CG-CB 4.16Å
146C97.7Very high96.4Very high32 Ų3270.8 Ų70.822%0.21634%0.335CS..Hα-helixtrans-62-49.4171.1-70.30000111.3Y142 Q144 E148 A149 D150Y142-C146 WeakPolarHBondContact CE2-SG 3.38Å; Y142-C146 VanDerWaalsContact CZ-SG 3.51Å; Y142-C146 PolarHBondContact O-N 3.27Å; Y142-C146 PolarHBondContact O-SG 3.22Å; Y142-C146 VanDerWaalsContact O-SG 3.4Å; Q144-C146 VanDerWaalsContact C-N 3.34Å; C146-E148 VanDerWaalsContact C-N 3.33Å; C146-E148 PolarHBondContact O-N 3.35Å; C146-A149 WeakPolarHBondContact O-CB 3.33Å; C146-A149 PolarHBondContact O-N 3.33Å; C146-A149 VanDerWaalsContact O-N 3.09Å; C146-D150 VanDerWaalsContact O-CG 3.31Å; C146-D150 PolarHBondContact O-N 2.94Å
147R97.8Very high95.9Very high121 Ų12173.8 Ų73.846%0.45735%0.348SS..Hα-helixtrans-56.9-45.3176.1-73.2-172.4-67.2-921.9112.5D143 Q144 A149 D150 E151D143-R147 WeakPolarHBondContact O-CG 3.38Å; D143-R147 PolarHBondContact O-N 3.27Å; Q144-R147 PolarHBondContact O-N 2.93Å; R147-A149 VanDerWaalsContact C-N 3.3Å; R147-A149 PolarHBondContact O-N 2.94Å; R147-D150 PolarHBondContact O-N 3.38Å; R147-E151 WeakPolarHBondContact O-CB 3.35Å; R147-E151 VanDerWaalsContact O-CG 3.31Å; R147-E151 WeakPolarHBondContact O-CG 3.45Å; R147-E151 PolarHBondContact O-N 3.2Å
148E96.8Very high95.5Very high74 Ų7475 Ų7535%0.34635%0.347SS..Hα-helixtrans-64-34177.4-73.1170-165.200112.9Q144 R145 C146 A152Q144-E148 WeakPolarHBondContact CG-OE1 3.37Å; Q144-E148 PolarHBondContact NE2-OE1 3.5Å; Q144-E148 WeakPolarHBondContact O-CG 3.34Å; Q144-E148 PolarHBondContact O-N 3.05Å; R145-E148 IonicContact NE-OE2 2.77Å; R145-E148 PolarHBondContact O-N 3.19Å; C146-E148 VanDerWaalsContact C-N 3.33Å; C146-E148 PolarHBondContact O-N 3.35Å; E148-A152 VanDerWaalsContact O-CB 3.23Å; E148-A152 WeakPolarHBondContact O-CB 3.22Å; E148-A152 PolarHBondContact O-N 2.88Å
149A96.3Very high94.8Very high5 Ų578.3 Ų78.34%0.04136%0.362CS..Hα-helixtrans-69.1-46.8175.100000111.4R145 C146 R147 E151 A152 E153 C180 A184R145-A149 WeakPolarHBondContact O-CB 3.17Å; R145-A149 PolarHBondContact O-N 3.4Å; C146-A149 WeakPolarHBondContact O-CB 3.33Å; C146-A149 PolarHBondContact O-N 3.33Å; C146-A149 VanDerWaalsContact O-N 3.09Å; R147-A149 VanDerWaalsContact C-N 3.3Å; R147-A149 PolarHBondContact O-N 2.94Å; A149-E151 VanDerWaalsContact C-N 3.35Å; A149-E151 PolarHBondContact O-N 3.41Å; A149-A152 PolarHBondContact O-N 3.47Å; A149-E153 WeakPolarHBondContact O-CB 3.38Å; A149-E153 PolarHBondContact O-N 3.07Å; A149-C180 HydrophobicContact CB-CB 4.13Å; A149-A184 HydrophobicContact CB-CB 4.33Å
150D96.3Very high93.8Very high86 Ų8679.6 Ų79.646%0.4637%0.372SS..Hα-helixtrans-62.2-41.9178.3-64.3-19.2000111.5C146 R147 E153 Q154C146-D150 VanDerWaalsContact O-CG 3.31Å; C146-D150 PolarHBondContact O-N 2.94Å; R147-D150 PolarHBondContact O-N 3.38Å; D150-E153 PolarHBondContact O-N 3.48Å; D150-Q154 WeakPolarHBondContact O-CG 3.49Å; D150-Q154 PolarHBondContact O-N 3.32Å
151E95.9Very high92.9Very high123 Ų12376 Ų7658%0.57537%0.373SS*.Hα-helixtrans-64.3-44.6175-74.6175.4-168.100111.8R147 A149 E153 Q154 V155R147-E151 WeakPolarHBondContact O-CB 3.35Å; R147-E151 VanDerWaalsContact O-CG 3.31Å; R147-E151 WeakPolarHBondContact O-CG 3.45Å; R147-E151 PolarHBondContact O-N 3.2Å; A149-E151 VanDerWaalsContact C-N 3.35Å; A149-E151 PolarHBondContact O-N 3.41Å; E151-E153 VanDerWaalsContact C-N 3.31Å; E151-E153 PolarHBondContact O-N 3.34Å; E151-Q154 PolarHBondContact O-N 3.46Å; E151-V155 VanDerWaalsContact O-CG2 3.3Å; E151-V155 WeakPolarHBondContact O-CG2 3.46Å; E151-V155 PolarHBondContact O-N 3.37Å
152A93.8Very high92.2Very high17 Ų1776.2 Ų76.214%0.1437%0.374CS..Hα-helixtrans-65.4-34.6178.500000112.4E148 A149 A156 C180E148-A152 VanDerWaalsContact O-CB 3.23Å; E148-A152 WeakPolarHBondContact O-CB 3.22Å; E148-A152 PolarHBondContact O-N 2.88Å; A149-A152 PolarHBondContact O-N 3.47Å; A152-A156 WeakPolarHBondContact O-CB 3.43Å; A152-A156 PolarHBondContact O-N 2.85Å; A152-C180 HydrophobicContact CB-CB 4.16Å
153E93.1Very high90.9Very high56 Ų5679 Ų7926%0.26241%0.408SS..Hα-helixtrans-67.5-48.5174.5-171.1166.3-154.100111.5A149 D150 E151 V155 A156 E157 R181A149-E153 WeakPolarHBondContact O-CB 3.38Å; A149-E153 PolarHBondContact O-N 3.07Å; D150-E153 PolarHBondContact O-N 3.48Å; E151-E153 VanDerWaalsContact C-N 3.31Å; E151-E153 PolarHBondContact O-N 3.34Å; E153-V155 VanDerWaalsContact C-N 3.29Å; E153-V155 PolarHBondContact O-N 3.03Å; E153-A156 WeakPolarHBondContact O-CB 3.19Å; E153-A156 PolarHBondContact O-N 3.14Å; E153-A156 VanDerWaalsContact O-N 3.07Å; E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 3.39Å; E153-R181 IonicContact OE1-CZ 3.68Å; E153-R181 IonicContact OE1-NH1 3.57Å; E153-R181 IonicContact OE1-NH2 2.63Å; E153-R181 PolarHBondContact OE1-NH2 3.31Å; E153-R181 IonicContact OE2-CZ 2.78Å; E153-R181 IonicContact OE2-NH2 3.62Å; E153-R181 PolarHBondContact OE2-NH2 3.19Å
154Q93.5Very high89.9Confident90 Ų9082 Ų8242%0.42143%0.429SS..Hα-helixtrans-58.4-39.9174.3-75.4-179.947.700112.6D150 E151 R158D150-Q154 WeakPolarHBondContact O-CG 3.49Å; D150-Q154 PolarHBondContact O-N 3.32Å; E151-Q154 PolarHBondContact O-N 3.46Å; Q154-R158 WeakPolarHBondContact O-CB 3.47Å; Q154-R158 VanDerWaalsContact O-CG 3.26Å; Q154-R158 WeakPolarHBondContact O-CG 3.46Å; Q154-R158 PolarHBondContact O-N 3.29Å
155V91.1Very high88.8Confident73 Ų7380 Ų8044%0.44242%0.422SS..Hα-helixtrans-65.5-40.9175.8169.80000111.1E151 E153 M159E151-V155 VanDerWaalsContact O-CG2 3.3Å; E151-V155 WeakPolarHBondContact O-CG2 3.46Å; E151-V155 PolarHBondContact O-N 3.37Å; E153-V155 VanDerWaalsContact C-N 3.29Å; E153-V155 PolarHBondContact O-N 3.03Å; V155-M159 WeakPolarHBondContact O-CB 3.39Å; V155-M159 WeakPolarHBondContact O-CG 3.5Å; V155-M159 PolarHBondContact O-N 3.16Å
156A89.2Confident88.2Confident7 Ų778.5 Ų78.56%0.05842%0.424CS..Hα-helixtrans-63.7-46.1177.100000111.3A152 E153 M159 I160 V173A152-A156 WeakPolarHBondContact O-CB 3.43Å; A152-A156 PolarHBondContact O-N 2.85Å; E153-A156 WeakPolarHBondContact O-CB 3.19Å; E153-A156 PolarHBondContact O-N 3.14Å; E153-A156 VanDerWaalsContact O-N 3.07Å; A156-M159 PolarHBondContact O-N 2.95Å; A156-I160 WeakPolarHBondContact O-CD1 3.46Å; A156-I160 WeakPolarHBondContact O-CG1 3.39Å; A156-I160 PolarHBondContact O-N 2.84Å; A156-V173 HydrophobicContact CB-CB 4.38Å; A156-V173 HydrophobicContact CB-CG2 4.28Å
157E88.4Confident87.4Confident120 Ų12082.3 Ų82.356%0.56145%0.448SS*.Hα-helixtrans-59.5-47.7176.5-72.2179166.400112.2E153 M159 I160 S161E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 3.39Å; E157-M159 PolarHBondContact O-N 2.82Å; E157-I160 PolarHBondContact O-N 2.92Å; E157-S161 PolarHBondContact O-N 3.46Å
158R88.4Confident86.8Confident156 Ų15685 Ų8559%0.58946%0.463SS*.Hα-helixtrans-61.9-43.7177.3-71.3177.2-157.2168.79.3111.6Q154 I160 S161 V162Q154-R158 WeakPolarHBondContact O-CB 3.47Å; Q154-R158 VanDerWaalsContact O-CG 3.26Å; Q154-R158 WeakPolarHBondContact O-CG 3.46Å; Q154-R158 PolarHBondContact O-N 3.29Å; R158-I160 PolarHBondContact O-N 3.17Å; R158-S161 PolarHBondContact O-N 2.89Å; R158-S161 PolarHBondContact O-OG 3.32Å; R158-V162 WeakPolarHBondContact O-CG2 3.38Å; R158-V162 PolarHBondContact O-N 2.95Å
159M84.4Confident86.2Confident83 Ų8386.6 Ų86.641%0.40947%0.471SS..Hα-helixtrans-65.6-36.5178.6-80.9-76.4148.500112.7V155 A156 E157 S161 V162 T165 V173V155-M159 WeakPolarHBondContact O-CB 3.39Å; V155-M159 WeakPolarHBondContact O-CG 3.5Å; V155-M159 PolarHBondContact O-N 3.16Å; A156-M159 PolarHBondContact O-N 2.95Å; E157-M159 PolarHBondContact O-N 2.82Å; M159-S161 VanDerWaalsContact C-N 3.29Å; M159-S161 PolarHBondContact O-N 2.89Å; M159-V162 PolarHBondContact O-N 3.39Å; M159-T165 WeakPolarHBondContact O-CB 3.33Å; M159-T165 PolarHBondContact O-OG1 3.25Å; M159-V173 HydrophobicContact CB-CG2 4.07Å; M159-V173 HydrophobicContact CG-CG1 4.35Å
160I78.1Confident85.5Confident106 Ų10687.8 Ų87.854%0.54448%0.48SS..Hα-helixtrans-67.3-32.1175.1-68163.6000111.2A156 E157 R158 V162A156-I160 WeakPolarHBondContact O-CD1 3.46Å; A156-I160 WeakPolarHBondContact O-CG1 3.39Å; A156-I160 PolarHBondContact O-N 2.84Å; E157-I160 PolarHBondContact O-N 2.92Å; R158-I160 PolarHBondContact O-N 3.17Å; I160-V162 VanDerWaalsContact C-N 3.29Å; I160-V162 PolarHBondContact O-N 3.32Å
161S79.9Confident85.1Confident97 Ų9789.3 Ų89.368%0.67849%0.485SS*.Hα-helixtrans-73.7-13.3178.475.60000115.1E157 R158 M159E157-S161 PolarHBondContact O-N 3.46Å; R158-S161 PolarHBondContact O-N 2.89Å; R158-S161 PolarHBondContact O-OG 3.32Å; M159-S161 VanDerWaalsContact C-N 3.29Å; M159-S161 PolarHBondContact O-N 2.89Å
162V83.7Confident84.7Confident67 Ų6793 Ų9341%0.40649%0.494SS..SBendtrans-88.4120.7-178.7173.30000110.7R158 M159 I160 T164 T165R158-V162 WeakPolarHBondContact O-CG2 3.38Å; R158-V162 PolarHBondContact O-N 2.95Å; M159-V162 PolarHBondContact O-N 3.39Å; I160-V162 VanDerWaalsContact C-N 3.29Å; I160-V162 PolarHBondContact O-N 3.32Å; V162-T164 VanDerWaalsContact CG1-OG1 3.31Å; V162-T164 WeakPolarHBondContact CG1-OG1 3.43Å; V162-T164 PolarHBondContact O-N 3.07Å; V162-T164 VanDerWaalsContact O-N 3.08Å; V162-T165 WeakPolarHBondContact O-CB 3.41Å; V162-T165 PolarHBondContact O-N 2.97Å; V162-T165 VanDerWaalsContact O-N 3.15Å; V162-T165 PolarHBondContact O-OG1 3.07Å; V162-T165 VanDerWaalsContact O-OG1 3.04Å
163A70.6Confident84.5Confident113 Ų11393.8 Ų93.893%0.93450%0.496SS*.THydrogen-bonded Turntrans-63.7-15.4-173.600000115.6
164T76.7Confident84.3Confident122 Ų12296.3 Ų96.375%0.74851%0.508SS*.THydrogen-bonded Turntrans-96.32179.444.70000113.9V162 T166V162-T164 VanDerWaalsContact CG1-OG1 3.31Å; V162-T164 WeakPolarHBondContact CG1-OG1 3.43Å; V162-T164 PolarHBondContact O-N 3.07Å; V162-T164 VanDerWaalsContact O-N 3.08Å; T164-T166 PolarHBondContact O-N 3.47Å
165T76.5Confident84.2Confident34 Ų3496 Ų9621%0.20951%0.509CS..  trans-70.3124.3-177.2-58.70000111.4M159 V162 Q169 A170M159-T165 WeakPolarHBondContact O-CB 3.33Å; M159-T165 PolarHBondContact O-OG1 3.25Å; V162-T165 WeakPolarHBondContact O-CB 3.41Å; V162-T165 PolarHBondContact O-N 2.97Å; V162-T165 VanDerWaalsContact O-N 3.15Å; V162-T165 PolarHBondContact O-OG1 3.07Å; V162-T165 VanDerWaalsContact O-OG1 3.04Å; T165-Q169 HydrophobicContact CG2-CB 4.11Å; T165-A170 HydrophobicContact CG2-CB 4.1Å
166T84.1Confident84.3Confident66 Ų6697.9 Ų97.941%0.40551%0.511SS..  trans-75.3151.3177.559.50000111.6T164 K168 Q169 A170T164-T166 PolarHBondContact O-N 3.47Å; T166-K168 VanDerWaalsContact C-N 3.26Å; T166-K168 PolarHBondContact O-N 2.97Å; T166-Q169 WeakPolarHBondContact O-CB 3.25Å; T166-Q169 PolarHBondContact O-N 3.35Å; T166-Q169 WeakPolarHBondContact OG1-CB 3.31Å; T166-Q169 VanDerWaalsContact OG1-CG 3.26Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.45Å; T166-Q169 PolarHBondContact OG1-N 3.36Å; T166-Q169 PolarHBondContact OG1-OE1 3.34Å; T166-A170 PolarHBondContact O-N 3.01Å
167P81.1Confident84.4Confident112 Ų11298.3 Ų98.373%0.72751%0.514SS*.Hα-helixtrans-54.3-39.8178.2-26.533.5000113.5Q169 A170 E171P167-Q169 PolarHBondContact O-N 2.82Å; P167-A170 PolarHBondContact O-N 3.48Å; P167-E171 WeakPolarHBondContact O-CB 3.36Å; P167-E171 PolarHBondContact O-N 3.35Å
168K84.9Confident84.8Confident178 Ų17898.3 Ų98.377%0.77451%0.512SS*.Hα-helixtrans-64.2-35.3175.4-90.4-174.3172.7179.60113.3T166 R172T166-K168 VanDerWaalsContact C-N 3.26Å; T166-K168 PolarHBondContact O-N 2.97Å; K168-R172 WeakPolarHBondContact O-CB 3.33Å; K168-R172 PolarHBondContact O-N 3.01Å
169Q83.4Confident85.1Confident108 Ų10896.1 Ų96.151%0.50551%0.509SS..Hα-helixtrans-73.5-42.7177.3-78.3166.5-28.500111.2T165 T166 P167 R172 V173T165-Q169 HydrophobicContact CG2-CB 4.11Å; T166-Q169 WeakPolarHBondContact O-CB 3.25Å; T166-Q169 PolarHBondContact O-N 3.35Å; T166-Q169 WeakPolarHBondContact OG1-CB 3.31Å; T166-Q169 VanDerWaalsContact OG1-CG 3.26Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.45Å; T166-Q169 PolarHBondContact OG1-N 3.36Å; T166-Q169 PolarHBondContact OG1-OE1 3.34Å; P167-Q169 PolarHBondContact O-N 2.82Å; Q169-R172 PolarHBondContact O-N 3.45Å; Q169-V173 WeakPolarHBondContact O-CG2 3.43Å; Q169-V173 PolarHBondContact O-N 3.03Å; Q169-V173 VanDerWaalsContact O-N 3.09Å
170A82.8Confident85.7Confident29 Ų2992.9 Ų92.924%0.2449%0.494CS..Hα-helixtrans-59.7-45.517500000111.8T165 T166 P167 R172 V173 H174T165-A170 HydrophobicContact CG2-CB 4.1Å; T166-A170 PolarHBondContact O-N 3.01Å; P167-A170 PolarHBondContact O-N 3.48Å; A170-R172 VanDerWaalsContact C-N 3.35Å; A170-R172 PolarHBondContact O-N 3.24Å; A170-V173 WeakPolarHBondContact O-CG2 3.45Å; A170-V173 PolarHBondContact O-N 3.4Å; A170-H174 VanDerWaalsContact O-CB 3.32Å; A170-H174 WeakPolarHBondContact O-CB 3.41Å; A170-H174 PolarHBondContact O-N 3.15Å
171E87.4Confident86.5Confident118 Ų11894.2 Ų94.255%0.55149%0.492SS*.Hα-helixtrans-62.1-41176.7-172.2-177.9-177.100112P167 H174 N175P167-E171 WeakPolarHBondContact O-CB 3.36Å; P167-E171 PolarHBondContact O-N 3.35Å; E171-H174 PolarHBondContact O-N 2.86Å; E171-N175 WeakPolarHBondContact O-CB 3.36Å; E171-N175 VanDerWaalsContact O-CG 3.24Å; E171-N175 PolarHBondContact O-N 3.41Å; E171-N175 PolarHBondContact O-ND2 3Å
172R88.7Confident87.3Confident202 Ų20294.9 Ų94.976%0.76248%0.484SS*.Hα-helixtrans-63.2-45.7178.5-175.8-179.5178.3-174.7-0.5112.5K168 Q169 A170 K176K168-R172 WeakPolarHBondContact O-CB 3.33Å; K168-R172 PolarHBondContact O-N 3.01Å; Q169-R172 PolarHBondContact O-N 3.45Å; A170-R172 VanDerWaalsContact C-N 3.35Å; A170-R172 PolarHBondContact O-N 3.24Å; R172-K176 WeakPolarHBondContact O-CB 3.37Å; R172-K176 PolarHBondContact O-N 3.35Å
173V89Confident88Confident32 Ų3293 Ų9319%0.19448%0.476CS..Hα-helixtrans-70.5-36.7179.5-63.80000111.6A156 M159 Q169 A170 K176 S177A156-V173 HydrophobicContact CB-CB 4.38Å; A156-V173 HydrophobicContact CB-CG2 4.28Å; M159-V173 HydrophobicContact CB-CG2 4.07Å; M159-V173 HydrophobicContact CG-CG1 4.35Å; Q169-V173 WeakPolarHBondContact O-CG2 3.43Å; Q169-V173 PolarHBondContact O-N 3.03Å; Q169-V173 VanDerWaalsContact O-N 3.09Å; A170-V173 WeakPolarHBondContact O-CG2 3.45Å; A170-V173 PolarHBondContact O-N 3.4Å; V173-K176 PolarHBondContact O-N 3.47Å; V173-S177 PolarHBondContact O-N 3.09Å
174H88.1Confident89.3Confident109 Ų10988.1 Ų88.151%0.50544%0.436SS..Hα-helixtrans-63.3-46.3174.3-177.8-85.3000111.9A170 E171 K176 S177 K178A170-H174 VanDerWaalsContact O-CB 3.32Å; A170-H174 WeakPolarHBondContact O-CB 3.41Å; A170-H174 PolarHBondContact O-N 3.15Å; E171-H174 PolarHBondContact O-N 2.86Å; H174-K176 VanDerWaalsContact C-N 3.28Å; H174-K176 PolarHBondContact O-N 2.87Å; H174-S177 PolarHBondContact O-N 3.34Å; H174-K178 PolarHBondContact O-N 3.5Å
175N91.8Very high90.3Very high85 Ų8584.8 Ų84.846%0.45542%0.42SS..Hα-helixtrans-63.1-35.9176.1-73.7-17.4000112.1E171 Q179E171-N175 WeakPolarHBondContact O-CB 3.36Å; E171-N175 VanDerWaalsContact O-CG 3.24Å; E171-N175 PolarHBondContact O-N 3.41Å; E171-N175 PolarHBondContact O-ND2 3Å; N175-Q179 WeakPolarHBondContact O-CB 3.34Å; N175-Q179 PolarHBondContact O-N 3.3Å
176K92.3Very high91.3Very high111 Ų11188.5 Ų88.548%0.48344%0.435SS..Hα-helixtrans-67.6-43.9175.7-175.161.1-175.2169.90111.9R172 V173 H174 Q179 C180R172-K176 WeakPolarHBondContact O-CB 3.37Å; R172-K176 PolarHBondContact O-N 3.35Å; V173-K176 PolarHBondContact O-N 3.47Å; H174-K176 VanDerWaalsContact C-N 3.28Å; H174-K176 PolarHBondContact O-N 2.87Å; K176-Q179 PolarHBondContact O-N 2.97Å; K176-C180 PolarHBondContact O-N 3.06Å; K176-C180 PolarHBondContact O-SG 3.35Å; K176-C180 VanDerWaalsContact O-SG 3.4Å
177S93.2Very high92Very high17 Ų1786 Ų8612%0.11942%0.421CS..Hα-helixtrans-57.9-49.4174.2169.80000111.1V173 H174 Q179 C180 R181V173-S177 PolarHBondContact O-N 3.09Å; H174-S177 PolarHBondContact O-N 3.34Å; S177-Q179 VanDerWaalsContact C-N 3.34Å; S177-Q179 PolarHBondContact O-N 2.91Å; S177-C180 PolarHBondContact O-N 3.37Å; S177-R181 PolarHBondContact O-N 3.26Å
178K94.8Very high92.8Very high119 Ų11984.6 Ų84.652%0.51741%0.405SS..Hα-helixtrans-56.5-46.1175.9-171-175.8-179.8-162.80112.2H174 C180 R181 E182H174-K178 PolarHBondContact O-N 3.5Å; K178-C180 PolarHBondContact O-N 3.48Å; K178-R181 PolarHBondContact O-N 3.07Å; K178-E182 WeakPolarHBondContact CE-OE1 3.23Å; K178-E182 IonicContact NZ-OE1 3.13Å; K178-E182 WeakPolarHBondContact O-CG 3.25Å; K178-E182 PolarHBondContact O-N 3.05Å
179Q96.1Very high93.4Very high111 Ų11182.8 Ų82.852%0.51940%0.397SS..Hα-helixtrans-61.8-43.2178.8-175.2-175.344.500112.3N175 K176 S177 R181 E182 A183N175-Q179 WeakPolarHBondContact O-CB 3.34Å; N175-Q179 PolarHBondContact O-N 3.3Å; K176-Q179 PolarHBondContact O-N 2.97Å; S177-Q179 VanDerWaalsContact C-N 3.34Å; S177-Q179 PolarHBondContact O-N 2.91Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 3.47Å; Q179-E182 PolarHBondContact O-N 3.41Å; Q179-A183 WeakPolarHBondContact O-CB 3.36Å; Q179-A183 PolarHBondContact O-N 3.46Å
180C95.7Very high94.1Very high15 Ų1581.7 Ų81.710%0.10139%0.392CS..Hα-helixtrans-63.5-39.7176.6-68.10000111.3A149 A152 K176 S177 K178 A183 A184A149-C180 HydrophobicContact CB-CB 4.13Å; A152-C180 HydrophobicContact CB-CB 4.16Å; K176-C180 PolarHBondContact O-N 3.06Å; K176-C180 PolarHBondContact O-SG 3.35Å; K176-C180 VanDerWaalsContact O-SG 3.4Å; S177-C180 PolarHBondContact O-N 3.37Å; K178-C180 PolarHBondContact O-N 3.48Å; C180-A183 PolarHBondContact O-N 3.1Å; C180-A184 PolarHBondContact O-N 3.29Å
181R95.6Very high94.9Very high134 Ų13482.6 Ų82.651%0.50639%0.39SS..Hα-helixtrans-66.3-41.6176.9-172.3170-83.8-167.5-2.1112.7E153 S177 K178 Q179 A183 A184 A185E153-R181 IonicContact OE1-CZ 3.68Å; E153-R181 IonicContact OE1-NH1 3.57Å; E153-R181 IonicContact OE1-NH2 2.63Å; E153-R181 PolarHBondContact OE1-NH2 3.31Å; E153-R181 IonicContact OE2-CZ 2.78Å; E153-R181 IonicContact OE2-NH2 3.62Å; E153-R181 PolarHBondContact OE2-NH2 3.19Å; S177-R181 PolarHBondContact O-N 3.26Å; K178-R181 PolarHBondContact O-N 3.07Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 3.47Å; R181-A183 VanDerWaalsContact C-N 3.32Å; R181-A183 PolarHBondContact O-N 3.09Å; R181-A184 PolarHBondContact O-N 2.94Å; R181-A185 PolarHBondContact O-N 2.95Å
182E97.3Very high95.4Very high110 Ų11082.2 Ų82.251%0.51439%0.389SS..Hα-helixtrans-61.3-40.9172-73.3172.6179.600111.6K178 Q179 A184 A185 E186K178-E182 WeakPolarHBondContact CE-OE1 3.23Å; K178-E182 IonicContact NZ-OE1 3.13Å; K178-E182 WeakPolarHBondContact O-CG 3.25Å; K178-E182 PolarHBondContact O-N 3.05Å; Q179-E182 PolarHBondContact O-N 3.41Å; E182-A184 VanDerWaalsContact C-N 3.34Å; E182-A184 PolarHBondContact O-N 2.8Å; E182-A185 PolarHBondContact O-N 2.95Å; E182-E186 PolarHBondContact O-N 3.32Å
183A97.3Very high95.9Very high29 Ų2974.9 Ų74.924%0.2437%0.369CS..Hα-helixtrans-67-32.3176.800000113.3Q179 C180 R181 A187Q179-A183 WeakPolarHBondContact O-CB 3.36Å; Q179-A183 PolarHBondContact O-N 3.46Å; C180-A183 PolarHBondContact O-N 3.1Å; R181-A183 VanDerWaalsContact C-N 3.32Å; R181-A183 PolarHBondContact O-N 3.09Å; A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.2Å
184A97.9Very high96.3Very high10 Ų1073.5 Ų73.58%0.08336%0.361CS..Hα-helixtrans-69.6-43.6172.400000111.6R145 A149 C180 R181 E182 E186 A187 E188R145-A184 HydrophobicContact CB-CB 4.12Å; A149-A184 HydrophobicContact CB-CB 4.33Å; C180-A184 PolarHBondContact O-N 3.29Å; R181-A184 PolarHBondContact O-N 2.94Å; E182-A184 VanDerWaalsContact C-N 3.34Å; E182-A184 PolarHBondContact O-N 2.8Å; A184-E186 PolarHBondContact O-N 3.28Å; A184-A187 PolarHBondContact O-N 2.59Å; A184-E188 PolarHBondContact O-N 3.48Å
185A97.9Very high96.8Very high51 Ų5171.6 Ų71.642%0.42135%0.353SS..Hα-helixtrans-62.4-38.3176.200000112.9R181 E182 E188 K189R181-A185 PolarHBondContact O-N 2.95Å; E182-A185 PolarHBondContact O-N 2.95Å; A185-E188 WeakPolarHBondContact O-CB 3.34Å; A185-E188 PolarHBondContact O-N 3.29Å; A185-K189 PolarHBondContact O-N 2.82Å
186E97.9Very high97.1Very high112 Ų11272.1 Ų72.152%0.52336%0.356SS..Hα-helixtrans-68.9-39.3174.4-173.558.2-150.900111.7E182 A184 E188 K189 Q190E182-E186 PolarHBondContact O-N 3.32Å; A184-E186 PolarHBondContact O-N 3.28Å; E186-E188 VanDerWaalsContact C-N 3.31Å; E186-E188 PolarHBondContact O-N 2.91Å; E186-K189 PolarHBondContact O-N 2.98Å; E186-Q190 WeakPolarHBondContact O-CB 3.49Å; E186-Q190 PolarHBondContact O-N 3.4Å
187A98.1Very high97.4Very high13 Ų1370.3 Ų70.311%0.10735%0.349CS..Hα-helixtrans-63.9-37.1174.400000112.1Y142 R145 A183 A184 Q190 Y191Y142-A187 HydrophobicContact CD2-CB 4.45Å; R145-A187 HydrophobicContact CB-CB 4.32Å; R145-A187 HydrophobicContact CG-CB 4.16Å; A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.2Å; A184-A187 PolarHBondContact O-N 2.59Å; A187-Q190 PolarHBondContact O-N 3.47Å; A187-Y191 WeakPolarHBondContact O-CB 3.37Å; A187-Y191 PolarHBondContact O-N 3.17Å
188E98.3Very high97.7Very high84 Ų8470.4 Ų70.439%0.39335%0.349SS..Hα-helixtrans-60.3-53.2173.8-172.8174.2-13700111.1Y142 A184 A185 E186 Q190 Y191 M192Y142-E188 HydrophobicContact CD2-CB 3.78Å; Y142-E188 HydrophobicContact CD2-CG 4.41Å; Y142-E188 HydrophobicContact CE2-CB 3.5Å; Y142-E188 VanDerWaalsContact CE2-CB 3.5Å; Y142-E188 HydrophobicContact CE2-CG 3.8Å; Y142-E188 PolarHBondContact OH-OE1 3.48Å; A184-E188 PolarHBondContact O-N 3.48Å; A185-E188 WeakPolarHBondContact O-CB 3.34Å; A185-E188 PolarHBondContact O-N 3.29Å; E186-E188 VanDerWaalsContact C-N 3.31Å; E186-E188 PolarHBondContact O-N 2.91Å; E188-Q190 VanDerWaalsContact C-N 3.25Å; E188-Q190 PolarHBondContact O-N 3.42Å; E188-Y191 PolarHBondContact O-N 2.88Å; E188-M192 HydrophobicContact CG-CG 4.48Å; E188-M192 HydrophobicContact CG-SD 4.29Å; E188-M192 WeakPolarHBondContact O-CG 3.35Å; E188-M192 PolarHBondContact O-N 3.27Å
189K98.4Very high97.9Very high139 Ų13967.7 Ų67.760%0.60434%0.34SS*.Hα-helixtrans-57.2-41.2178.4-174.6-176.9177.1-172.40111.7A185 E186 S193A185-K189 PolarHBondContact O-N 2.82Å; E186-K189 PolarHBondContact O-N 2.98Å; K189-S193 WeakPolarHBondContact O-CB 3.44Å; K189-S193 PolarHBondContact O-N 3.11Å
190Q98.3Very high98Very high86 Ų8669.4 Ų69.440%0.40235%0.345SS..Hα-helixtrans-67.7-39.4176.6-175.856.576.400112.4E186 A187 E188 N194E186-Q190 WeakPolarHBondContact O-CB 3.49Å; E186-Q190 PolarHBondContact O-N 3.4Å; A187-Q190 PolarHBondContact O-N 3.47Å; E188-Q190 VanDerWaalsContact C-N 3.25Å; E188-Q190 PolarHBondContact O-N 3.42Å; Q190-N194 PolarHBondContact NE2-OD1 3.5Å; Q190-N194 PolarHBondContact O-N 3.42Å; Q190-N194 PolarHBondContact O-ND2 3.22Å
191Y98.6Very high98.1Very high47 Ų4769.1 Ų69.118%0.18434%0.343CS..Hα-helixtrans-66.2-45.9176.1178.8-146.5000111.5T135 S138 K139 Y142 A187 E188 S193 N194 I195T135-Y191 HydrophobicContact CG2-CD2 4.23Å; T135-Y191 HydrophobicContact CG2-CE2 3.76Å; S138-Y191 WeakPolarHBondContact OG-CD2 3.49Å; K139-Y191 HydrophobicContact CB-CD2 4.17Å; K139-Y191 HydrophobicContact CB-CE1 4.07Å; K139-Y191 HydrophobicContact CB-CE2 3.64Å; K139-Y191 WeakPolarHBondContact CD-OH 3.1Å; K139-Y191 HydrophobicContact CG-CE1 3.9Å; K139-Y191 HydrophobicContact CG-CE2 4.25Å; Y142-Y191 HydrophobicContact CD1-CD1 4.02Å; Y142-Y191 HydrophobicContact CD1-CE1 4.48Å; Y142-Y191 HydrophobicContact CG-CD1 4.29Å; A187-Y191 WeakPolarHBondContact O-CB 3.37Å; A187-Y191 PolarHBondContact O-N 3.17Å; E188-Y191 PolarHBondContact O-N 2.88Å; Y191-S193 VanDerWaalsContact C-N 3.35Å; Y191-S193 PolarHBondContact O-N 3.23Å; Y191-N194 PolarHBondContact O-N 3.34Å; Y191-N194 VanDerWaalsContact O-N 3.13Å; Y191-I195 HydrophobicContact CD1-CD1 4.27Å; Y191-I195 HydrophobicContact CD2-CD1 3.93Å; Y191-I195 HydrophobicContact CD2-CG1 3.97Å; Y191-I195 HydrophobicContact CE1-CD1 3.92Å; Y191-I195 HydrophobicContact CE2-CD1 3.54Å; Y191-I195 HydrophobicContact CE2-CG1 3.58Å; Y191-I195 HydrophobicContact CG-CD1 4.27Å; Y191-I195 WeakPolarHBondContact O-CG1 3.39Å; Y191-I195 PolarHBondContact O-N 2.91Å
192M98.4Very high98.2Very high111 Ų11166 Ų6655%0.54733%0.331SS..Hα-helixtrans-56.9-46.9174.2-70.2-176.772.100111.8E188 N194 I195 D196E188-M192 HydrophobicContact CG-CG 4.48Å; E188-M192 HydrophobicContact CG-SD 4.29Å; E188-M192 WeakPolarHBondContact O-CG 3.35Å; E188-M192 PolarHBondContact O-N 3.27Å; M192-N194 VanDerWaalsContact C-N 3.3Å; M192-N194 PolarHBondContact O-N 2.92Å; M192-I195 WeakPolarHBondContact O-CB 3.41Å; M192-I195 PolarHBondContact O-N 3.47Å; M192-I195 VanDerWaalsContact O-N 3.15Å; M192-D196 PolarHBondContact O-N 3.23Å
193S98.4Very high98.3Very high47 Ų4765.3 Ų65.333%0.32933%0.328SS..Hα-helixtrans-60-38.5176.3-179.20000112.7K189 Y191 Q197K189-S193 WeakPolarHBondContact O-CB 3.44Å; K189-S193 PolarHBondContact O-N 3.11Å; Y191-S193 VanDerWaalsContact C-N 3.35Å; Y191-S193 PolarHBondContact O-N 3.23Å; S193-Q197 WeakPolarHBondContact O-CG 3.47Å; S193-Q197 PolarHBondContact O-N 2.94Å; S193-Q197 VanDerWaalsContact O-N 3.15Å
194N98.5Very high98.3Very high4 Ų468.9 Ų68.92%0.02134%0.339CS..Hα-helixtrans-70.1-37175.6-72.6-21.8000112.2K134 T135 S138 Q190 Y191 M192 Q197 L198K134-N194 VanDerWaalsContact CE-OD1 3.25Å; K134-N194 WeakPolarHBondContact CE-OD1 3.28Å; K134-N194 PolarHBondContact NZ-OD1 2.75Å; T135-N194 HydrophobicContact CG2-CB 4.37Å; T135-N194 PolarHBondContact OG1-O 3.02Å; S138-N194 VanDerWaalsContact CB-ND2 3.28Å; S138-N194 WeakPolarHBondContact CB-ND2 3.3Å; S138-N194 PolarHBondContact OG-ND2 3.48Å; Q190-N194 PolarHBondContact NE2-OD1 3.5Å; Q190-N194 PolarHBondContact O-N 3.42Å; Q190-N194 PolarHBondContact O-ND2 3.22Å; Y191-N194 PolarHBondContact O-N 3.34Å; Y191-N194 VanDerWaalsContact O-N 3.13Å; M192-N194 VanDerWaalsContact C-N 3.3Å; M192-N194 PolarHBondContact O-N 2.92Å; N194-Q197 PolarHBondContact O-N 2.59Å; N194-L198 WeakPolarHBondContact O-CB 3.46Å; N194-L198 PolarHBondContact O-N 3.19Å
195I98.6Very high98.3Very high68 Ų6869.1 Ų69.135%0.34934%0.338SS..Hα-helixtrans-59.6-47.7173-71165.2000110.3T135 Y191 M192 Q197 L198 D199T135-I195 HydrophobicContact CG2-CG1 4Å; Y191-I195 HydrophobicContact CD1-CD1 4.27Å; Y191-I195 HydrophobicContact CD2-CD1 3.93Å; Y191-I195 HydrophobicContact CD2-CG1 3.97Å; Y191-I195 HydrophobicContact CE1-CD1 3.92Å; Y191-I195 HydrophobicContact CE2-CD1 3.54Å; Y191-I195 HydrophobicContact CE2-CG1 3.58Å; Y191-I195 HydrophobicContact CG-CD1 4.27Å; Y191-I195 WeakPolarHBondContact O-CG1 3.39Å; Y191-I195 PolarHBondContact O-N 2.91Å; M192-I195 WeakPolarHBondContact O-CB 3.41Å; M192-I195 PolarHBondContact O-N 3.47Å; M192-I195 VanDerWaalsContact O-N 3.15Å; I195-Q197 VanDerWaalsContact C-N 3.29Å; I195-Q197 PolarHBondContact O-N 3.26Å; I195-L198 WeakPolarHBondContact O-CB 3.35Å; I195-L198 PolarHBondContact O-N 2.91Å; I195-L198 VanDerWaalsContact O-N 3.11Å; I195-D199 PolarHBondContact O-N 3.26Å
196D98.5Very high98.3Very high96 Ų9669.5 Ų69.551%0.51333%0.331SS..Hα-helixtrans-61.5-38.1179.6-71.3-17.1000112.1M192 K200M192-D196 PolarHBondContact O-N 3.23Å; D196-K200 VanDerWaalsContact O-CG 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.46Å; D196-K200 PolarHBondContact O-N 3.42Å
197Q98.4Very high98.3Very high73 Ų7368.6 Ų68.634%0.34133%0.333SS..Hα-helixtrans-68.5-40.1174.6-70.9173.422.100111.8S193 N194 I195 I201S193-Q197 WeakPolarHBondContact O-CG 3.47Å; S193-Q197 PolarHBondContact O-N 2.94Å; S193-Q197 VanDerWaalsContact O-N 3.15Å; N194-Q197 PolarHBondContact O-N 2.59Å; I195-Q197 VanDerWaalsContact C-N 3.29Å; I195-Q197 PolarHBondContact O-N 3.26Å; Q197-I201 PolarHBondContact O-N 2.99Å
198L98.6Very high98.3Very high20 Ų2069.2 Ų69.211%0.10534%0.336CS..Hα-helixtrans-65.7-39.9178.5-177.160.3000112F14 L131 Y132 T135 N194 I195 I201 R202F14-L198 HydrophobicContact CE1-CD1 3.63Å; F14-L198 HydrophobicContact CE1-CD2 4.46Å; F14-L198 HydrophobicContact CE1-CG 4.28Å; F14-L198 HydrophobicContact CZ-CD1 3.56Å; F14-L198 HydrophobicContact CZ-CD2 4.14Å; F14-L198 HydrophobicContact CZ-CG 3.78Å; L131-L198 HydrophobicContact CB-CD1 4Å; Y132-L198 HydrophobicContact CD2-CD2 4.18Å; T135-L198 HydrophobicContact CG2-CD2 3.87Å; N194-L198 WeakPolarHBondContact O-CB 3.46Å; N194-L198 PolarHBondContact O-N 3.19Å; I195-L198 WeakPolarHBondContact O-CB 3.35Å; I195-L198 PolarHBondContact O-N 2.91Å; I195-L198 VanDerWaalsContact O-N 3.11Å; L198-I201 HydrophobicContact CD1-CG2 4.11Å; L198-I201 WeakPolarHBondContact O-CG2 3.37Å; L198-R202 WeakPolarHBondContact O-CB 3.48Å; L198-R202 PolarHBondContact O-N 3.4Å
199D98.4Very high98.3Very high62 Ų6265.3 Ų65.333%0.33232%0.318SS..Hα-helixtrans-69.3-38.2179.2-168.657.3000111.8I195 I201 R202 Q203I195-D199 PolarHBondContact O-N 3.26Å; D199-I201 PolarHBondContact O-N 2.96Å; D199-R202 WeakPolarHBondContact O-CB 3.35Å; D199-R202 PolarHBondContact O-N 2.96Å; D199-R202 IonicContact OD1-CZ 3.77Å; D199-R202 VanDerWaalsContact OD1-CZ 3.24Å; D199-R202 IonicContact OD1-NE 3.88Å; D199-R202 PolarHBondContact OD1-NE 3.01Å; D199-R202 IonicContact OD1-NH2 2.67Å; D199-R202 PolarHBondContact OD1-NH2 3.42Å; D199-R202 IonicContact OD2-NH2 3.99Å; D199-Q203 WeakPolarHBondContact O-CG 3.39Å; D199-Q203 PolarHBondContact O-N 3.23Å; D199-Q203 PolarHBondContact OD2-NE2 3.08Å
200K98.4Very high98.3Very high146 Ų14662.5 Ų62.564%0.63531%0.307SS*.Hα-helixtrans-59.1-48.4173.8-73.2170.8-173.6176.30112.3D196 R202 Q203 E204D196-K200 VanDerWaalsContact O-CG 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.46Å; D196-K200 PolarHBondContact O-N 3.42Å; K200-R202 VanDerWaalsContact C-N 3.31Å; K200-R202 PolarHBondContact O-N 2.97Å; K200-Q203 PolarHBondContact O-N 2.85Å; K200-E204 PolarHBondContact O-N 2.78Å; K200-E204 VanDerWaalsContact O-N 3.1Å
201I98.4Very high98.3Very high10 Ų1061.1 Ų61.15%0.05131%0.307CS..Hα-helixtrans-69.4-29.6178.2-168.363.9000112.1V124 I127 K128 L131 Q197 L198 D199 E204 W205V124-I201 HydrophobicContact CG1-CD1 4.02Å; I127-I201 HydrophobicContact CB-CD1 4.14Å; I127-I201 HydrophobicContact CB-CG1 4.32Å; I127-I201 HydrophobicContact CG2-CD1 3.76Å; I127-I201 HydrophobicContact CG2-CG1 3.88Å; K128-I201 HydrophobicContact CB-CG1 4.04Å; K128-I201 HydrophobicContact CB-CG2 4.46Å; L131-I201 HydrophobicContact CB-CG2 4.26Å; L131-I201 HydrophobicContact CD1-CB 3.9Å; L131-I201 HydrophobicContact CD1-CG1 4.39Å; L131-I201 HydrophobicContact CD1-CG2 3.58Å; Q197-I201 PolarHBondContact O-N 2.99Å; L198-I201 HydrophobicContact CD1-CG2 4.11Å; L198-I201 WeakPolarHBondContact O-CG2 3.37Å; D199-I201 PolarHBondContact O-N 2.96Å; I201-E204 HydrophobicContact CD1-CB 4.45Å; I201-W205 VanDerWaalsContact O-CB 3.24Å; I201-W205 WeakPolarHBondContact O-CB 3.32Å; I201-W205 PolarHBondContact O-N 3.39Å
202R98.1Very high98.2Very high68 Ų6859 Ų5926%0.25730%0.299SS..Hα-helixtrans-61.3-49.8174180-167.764.780.43.2110.5F14 L198 D199 K200 E204 W205 E206F14-R202 HydrophobicContact CE2-CB 4.33Å; F14-R202 HydrophobicContact CE2-CG 4.07Å; F14-R202 HydrophobicContact CZ-CB 4.15Å; F14-R202 HydrophobicContact CZ-CG 4.32Å; L198-R202 WeakPolarHBondContact O-CB 3.48Å; L198-R202 PolarHBondContact O-N 3.4Å; D199-R202 WeakPolarHBondContact O-CB 3.35Å; D199-R202 PolarHBondContact O-N 2.96Å; D199-R202 IonicContact OD1-CZ 3.77Å; D199-R202 VanDerWaalsContact OD1-CZ 3.24Å; D199-R202 IonicContact OD1-NE 3.88Å; D199-R202 PolarHBondContact OD1-NE 3.01Å; D199-R202 IonicContact OD1-NH2 2.67Å; D199-R202 PolarHBondContact OD1-NH2 3.42Å; D199-R202 IonicContact OD2-NH2 3.99Å; K200-R202 VanDerWaalsContact C-N 3.31Å; K200-R202 PolarHBondContact O-N 2.97Å; R202-E204 PolarHBondContact O-N 3.44Å; R202-W205 WeakPolarHBondContact O-CB 3.23Å; R202-W205 PolarHBondContact O-N 2.77Å; R202-E206 WeakPolarHBondContact CG-OE1 3.5Å; R202-E206 IonicContact CZ-OE1 3.94Å; R202-E206 IonicContact CZ-OE2 3.89Å; R202-E206 IonicContact NH1-OE1 2.68Å; R202-E206 PolarHBondContact NH1-OE1 3.49Å; R202-E206 IonicContact NH1-OE2 2.76Å; R202-E206 PolarHBondContact NH1-OE2 2.99Å; R202-E206 WeakPolarHBondContact O-CG 3.34Å; R202-E206 PolarHBondContact O-N 3.01Å
203Q98.3Very high98.2Very high95 Ų9553.8 Ų53.844%0.44427%0.273SS..Hα-helixtrans-63.6-40.6179-65.3176.634.100112.1D199 K200 W205 E206 T207D199-Q203 WeakPolarHBondContact O-CG 3.39Å; D199-Q203 PolarHBondContact O-N 3.23Å; D199-Q203 PolarHBondContact OD2-NE2 3.08Å; K200-Q203 PolarHBondContact O-N 2.85Å; Q203-W205 VanDerWaalsContact C-N 3.35Å; Q203-E206 PolarHBondContact O-N 2.78Å; Q203-T207 PolarHBondContact O-N 3.43Å; Q203-T207 PolarHBondContact O-OG1 2.61Å
204E98.2Very high98.2Very high104 Ų10455.8 Ų55.849%0.48628%0.277SS..Hα-helixtrans-62.1-43173.9-176.3-179.1171.800111.5V124 K200 I201 R202 T208V124-E204 HydrophobicContact CG1-CG 4.46Å; K200-E204 PolarHBondContact O-N 2.78Å; K200-E204 VanDerWaalsContact O-N 3.1Å; I201-E204 HydrophobicContact CD1-CB 4.45Å; R202-E204 PolarHBondContact O-N 3.44Å; E204-T208 VanDerWaalsContact O-CB 3.3Å; E204-T208 WeakPolarHBondContact O-CB 3.29Å; E204-T208 PolarHBondContact O-N 3.3Å; E204-T208 PolarHBondContact O-OG1 2.72Å
205W98.3Very high98.2Very high15 Ų1557.5 Ų57.56%0.05729%0.288CS..Hα-helixtrans-63.4-45.3176.1-178.288.4000112.3W10 M121 V124 K128 I201 R202 Q203 T208 H209W10-W205 HydrophobicContact CE3-CH2 4.32Å; W10-W205 HydrophobicContact CE3-CZ3 4.08Å; W10-W205 HydrophobicContact CZ3-CH2 4.41Å; W10-W205 AromaticContact CZ3-CZ3 3.85Å; W10-W205 HydrophobicContact CZ3-CZ3 3.85Å; M121-W205 HydrophobicContact CE-CD2 4.47Å; M121-W205 VanDerWaalsContact CE-CE2 3.45Å; M121-W205 HydrophobicContact CE-CZ2 3.57Å; V124-W205 HydrophobicContact CG1-CB 3.73Å; V124-W205 HydrophobicContact CG1-CG 4.23Å; K128-W205 HydrophobicContact CD-CB 3.86Å; K128-W205 HydrophobicContact CD-CD2 3.81Å; K128-W205 HydrophobicContact CD-CE3 4.4Å; K128-W205 HydrophobicContact CD-CG 3.51Å; K128-W205 VanDerWaalsContact NZ-CD2 3.29Å; I201-W205 VanDerWaalsContact O-CB 3.24Å; I201-W205 WeakPolarHBondContact O-CB 3.32Å; I201-W205 PolarHBondContact O-N 3.39Å; R202-W205 WeakPolarHBondContact O-CB 3.23Å; R202-W205 PolarHBondContact O-N 2.77Å; Q203-W205 VanDerWaalsContact C-N 3.35Å; W205-T208 PolarHBondContact O-N 2.87Å; W205-H209 HydrophobicContact CH2-CB 4.48Å; W205-H209 VanDerWaalsContact O-CB 3.26Å; W205-H209 WeakPolarHBondContact O-CB 3.4Å; W205-H209 PolarHBondContact O-N 3.24Å
206E97.8Very high98.2Very high59 Ų5954.3 Ų54.328%0.27627%0.271SS..Hα-helixtrans-59.4-49.9177.7-75167.9-175.900111W10 R202 Q203 T208 H209 E210W10-E206 HydrophobicContact CZ3-CG 4.25Å; R202-E206 WeakPolarHBondContact CG-OE1 3.5Å; R202-E206 IonicContact CZ-OE1 3.94Å; R202-E206 IonicContact CZ-OE2 3.89Å; R202-E206 IonicContact NH1-OE1 2.68Å; R202-E206 PolarHBondContact NH1-OE1 3.49Å; R202-E206 IonicContact NH1-OE2 2.76Å; R202-E206 PolarHBondContact NH1-OE2 2.99Å; R202-E206 WeakPolarHBondContact O-CG 3.34Å; R202-E206 PolarHBondContact O-N 3.01Å; Q203-E206 PolarHBondContact O-N 2.78Å; E206-T208 VanDerWaalsContact C-N 3.31Å; E206-T208 PolarHBondContact O-N 2.92Å; E206-H209 WeakPolarHBondContact O-CB 3.43Å; E206-H209 PolarHBondContact O-N 3.33Å; E206-E210 WeakPolarHBondContact O-CG 3.5Å; E206-E210 PolarHBondContact O-N 3.35Å
207T98.1Very high98.1Very high93 Ų9352.5 Ų52.557%0.57126%0.26SS*.Hα-helixtrans-60.4-42.3178.2-52.50000111.6Q203 S211Q203-T207 PolarHBondContact O-N 3.43Å; Q203-T207 PolarHBondContact O-OG1 2.61Å; T207-S211 WeakPolarHBondContact O-CB 3.48Å; T207-S211 PolarHBondContact O-N 3.45Å; T207-S211 VanDerWaalsContact O-N 3.15Å
208T98.1Very high98.1Very high27 Ų2754.5 Ų54.517%0.16627%0.269CS..Hα-helixtrans-65.7-40.9177.6-59.50000111.5I120 M121 V124 E204 W205 E206 T212I120-T208 HydrophobicContact CG2-CG2 3.84Å; M121-T208 HydrophobicContact SD-CG2 4.32Å; V124-T208 HydrophobicContact CG2-CG2 4.41Å; E204-T208 VanDerWaalsContact O-CB 3.3Å; E204-T208 WeakPolarHBondContact O-CB 3.29Å; E204-T208 PolarHBondContact O-N 3.3Å; E204-T208 PolarHBondContact O-OG1 2.72Å; W205-T208 PolarHBondContact O-N 2.87Å; E206-T208 VanDerWaalsContact C-N 3.31Å; E206-T208 PolarHBondContact O-N 2.92Å; T208-T212 VanDerWaalsContact O-CB 3.29Å; T208-T212 WeakPolarHBondContact O-CB 3.29Å; T208-T212 PolarHBondContact O-N 3.32Å; T208-T212 PolarHBondContact O-OG1 3Å
209H97.8Very high98.1Very high2 Ų253.8 Ų53.81%0.00927%0.265CS..Hα-helixtrans-64.9-47.1179.3-177.972.5000111.4F9 W10 M121 W205 E206 S211 T212 C213F9-H209 PolarHBondContact O-CE1 3.04Å; F9-H209 VanDerWaalsContact O-CE1 3.24Å; F9-H209 PolarHBondContact O-NE2 3.15Å; W10-H209 AromaticContact CE3-CD2 3.67Å; W10-H209 AromaticContact CH2-CD2 3.77Å; W10-H209 HydrophobicContact CZ3-CB 4.43Å; W10-H209 AromaticContact CZ3-CD2 3.41Å; W10-H209 VanDerWaalsContact CZ3-CD2 3.41Å; W10-H209 WeakPolarHBondContact CZ3-CD2 3.4Å; M121-H209 HydrophobicContact CE-CB 3.95Å; M121-H209 VanDerWaalsContact CE-ND1 3.35Å; M121-H209 WeakPolarHBondContact CE-ND1 3.3Å; W205-H209 HydrophobicContact CH2-CB 4.48Å; W205-H209 VanDerWaalsContact O-CB 3.26Å; W205-H209 WeakPolarHBondContact O-CB 3.4Å; W205-H209 PolarHBondContact O-N 3.24Å; E206-H209 WeakPolarHBondContact O-CB 3.43Å; E206-H209 PolarHBondContact O-N 3.33Å; H209-S211 PolarHBondContact O-N 3.35Å; H209-T212 PolarHBondContact O-N 3.12Å; H209-C213 PolarHBondContact NE2-SG 2.77Å; H209-C213 WeakPolarHBondContact O-CB 3.35Å; H209-C213 PolarHBondContact O-N 3.41Å; H209-C213 PolarHBondContact O-SG 2.94Å
210E97.9Very high98Very high80 Ų8051.7 Ų51.737%0.37425%0.253SS..Hα-helixtrans-58.9-50.1177-71.5-179.7177.600111.4K6 W10 E206 T212 C213 E214K6-E210 HydrophobicContact CB-CB 4.24Å; K6-E210 HydrophobicContact CB-CG 4.26Å; W10-E210 HydrophobicContact CH2-CG 3.78Å; W10-E210 HydrophobicContact CZ2-CG 3.99Å; E206-E210 WeakPolarHBondContact O-CG 3.5Å; E206-E210 PolarHBondContact O-N 3.35Å; E210-T212 VanDerWaalsContact C-N 3.3Å; E210-T212 PolarHBondContact O-N 3.11Å; E210-C213 WeakPolarHBondContact O-CB 3.48Å; E210-C213 PolarHBondContact O-N 3.46Å; E210-E214 WeakPolarHBondContact O-CG 3.24Å; E210-E214 PolarHBondContact O-N 2.68Å
211S97.9Very high98Very high57 Ų5746.4 Ų46.440%0.39924%0.24SC..Hα-helixtrans-61.3-39.3178.2-178.90000112.1T207 H209 E214 V215T207-S211 WeakPolarHBondContact O-CB 3.48Å; T207-S211 PolarHBondContact O-N 3.45Å; T207-S211 VanDerWaalsContact O-N 3.15Å; H209-S211 PolarHBondContact O-N 3.35Å; S211-E214 PolarHBondContact O-N 3.17Å; S211-V215 WeakPolarHBondContact O-CG2 3.25Å; S211-V215 PolarHBondContact O-N 3.09Å
212T98.1Very high98Very high3 Ų349 Ų492%0.01825%0.254CS..Hα-helixtrans-65.7-41.8176.6-60.90000111.3Y20 F117 T208 H209 E210 E214 V215 F216Y20-T212 HydrophobicContact CE2-CG2 4.35Å; F117-T212 HydrophobicContact CB-CG2 4.19Å; T208-T212 VanDerWaalsContact O-CB 3.29Å; T208-T212 WeakPolarHBondContact O-CB 3.29Å; T208-T212 PolarHBondContact O-N 3.32Å; T208-T212 PolarHBondContact O-OG1 3Å; H209-T212 PolarHBondContact O-N 3.12Å; E210-T212 VanDerWaalsContact C-N 3.3Å; E210-T212 PolarHBondContact O-N 3.11Å; T212-E214 PolarHBondContact O-N 3.11Å; T212-V215 PolarHBondContact O-N 3.37Å; T212-F216 HydrophobicContact CG2-CD1 4.32Å; T212-F216 HydrophobicContact CG2-CD2 3.88Å; T212-F216 HydrophobicContact CG2-CE1 4.01Å; T212-F216 HydrophobicContact CG2-CE2 3.53Å; T212-F216 HydrophobicContact CG2-CG 4.27Å; T212-F216 HydrophobicContact CG2-CZ 3.6Å; T212-F216 WeakPolarHBondContact O-CB 3.48Å; T212-F216 VanDerWaalsContact O-CG 3.29Å; T212-F216 WeakPolarHBondContact O-CG 3.41Å; T212-F216 PolarHBondContact O-N 2.95Å
213C98.3Very high98Very high1 Ų146.7 Ų46.71%0.00725%0.246CC..Hα-helixtrans-61.2-42.6176.9-73.40000112.2F5 K6 L23 H209 E210 F216 Q217F5-C213 HydrophobicContact CB-CB 3.86Å; K6-C213 HydrophobicContact CB-CB 3.8Å; L23-C213 VanDerWaalsContact CD1-SG 3.58Å; H209-C213 PolarHBondContact NE2-SG 2.77Å; H209-C213 WeakPolarHBondContact O-CB 3.35Å; H209-C213 PolarHBondContact O-N 3.41Å; H209-C213 PolarHBondContact O-SG 2.94Å; E210-C213 WeakPolarHBondContact O-CB 3.48Å; E210-C213 PolarHBondContact O-N 3.46Å; C213-F216 PolarHBondContact O-N 2.86Å; C213-Q217 WeakPolarHBondContact O-CB 3.11Å; C213-Q217 PolarHBondContact O-N 3.32Å
214E97.8Very high98Very high89 Ų8946.5 Ų46.542%0.41625%0.247SC..Hα-helixtrans-61.2-45.9176.7-70.1177.5159.800111.6K6 E210 S211 T212 F216 Q217 Q218K6-E214 HydrophobicContact CD-CG 3.91Å; K6-E214 WeakPolarHBondContact CD-OE1 3.31Å; K6-E214 IonicContact NZ-OE1 3.7Å; K6-E214 PolarHBondContact NZ-OE1 3.07Å; E210-E214 WeakPolarHBondContact O-CG 3.24Å; E210-E214 PolarHBondContact O-N 2.68Å; S211-E214 PolarHBondContact O-N 3.17Å; T212-E214 PolarHBondContact O-N 3.11Å; E214-F216 PolarHBondContact O-N 2.99Å; E214-Q217 PolarHBondContact O-N 3.45Å; E214-Q218 PolarHBondContact O-N 3.34Å
215V97.7Very high98Very high40 Ų4044.7 Ų44.724%0.24224%0.241CC..Hα-helixtrans-62.7-43.4176.9173.10000111.2F117 S211 T212 Q218 Q219F117-V215 HydrophobicContact CD2-CG1 4Å; F117-V215 HydrophobicContact CE1-CG2 4.04Å; F117-V215 HydrophobicContact CE2-CB 4.42Å; F117-V215 HydrophobicContact CE2-CG1 3.67Å; F117-V215 HydrophobicContact CE2-CG2 4.31Å; F117-V215 HydrophobicContact CZ-CB 4.28Å; F117-V215 HydrophobicContact CZ-CG1 3.99Å; F117-V215 HydrophobicContact CZ-CG2 3.76Å; S211-V215 WeakPolarHBondContact O-CG2 3.25Å; S211-V215 PolarHBondContact O-N 3.09Å; T212-V215 PolarHBondContact O-N 3.37Å; V215-Q218 PolarHBondContact O-N 3.2Å; V215-Q219 WeakPolarHBondContact O-CG 3.39Å; V215-Q219 PolarHBondContact O-N 3.45Å
216F98.3Very high97.9Very high0 Ų046.6 Ų46.60%025%0.251CS..Hα-helixtrans-66.9-37.3179.1-73.9-2000112.4F5 Y20 L23 I24 L27 R114 F117 T212 C213 E214 Q219 E220F5-F216 HydrophobicContact CD2-CB 4.46Å; Y20-F216 HydrophobicContact CD2-CE2 4.27Å; Y20-F216 AromaticContact CE2-CE2 3.86Å; Y20-F216 HydrophobicContact CE2-CE2 3.86Å; Y20-F216 HydrophobicContact CE2-CZ 4.36Å; L23-F216 HydrophobicContact CB-CD2 4.13Å; L23-F216 HydrophobicContact CD1-CD2 4.45Å; I24-F216 HydrophobicContact CD1-CE2 3.57Å; I24-F216 HydrophobicContact CD1-CZ 3.69Å; I24-F216 HydrophobicContact CG1-CE2 4.34Å; L27-F216 HydrophobicContact CD1-CB 3.89Å; L27-F216 HydrophobicContact CD1-CD1 3.58Å; L27-F216 HydrophobicContact CD1-CD2 3.64Å; L27-F216 HydrophobicContact CD1-CE1 3.91Å; L27-F216 HydrophobicContact CD1-CE2 3.97Å; L27-F216 HydrophobicContact CD1-CG 3.43Å; L27-F216 VanDerWaalsContact CD1-CG 3.43Å; L27-F216 HydrophobicContact CD1-CZ 4.1Å; R114-F216 HydrophobicContact CG-CE1 4.19Å; R114-F216 HydrophobicContact CG-CZ 4.26Å; F117-F216 HydrophobicContact CB-CE1 3.86Å; F117-F216 HydrophobicContact CB-CZ 4.08Å; F117-F216 HydrophobicContact CG-CE1 4.49Å; T212-F216 HydrophobicContact CG2-CD1 4.32Å; T212-F216 HydrophobicContact CG2-CD2 3.88Å; T212-F216 HydrophobicContact CG2-CE1 4.01Å; T212-F216 HydrophobicContact CG2-CE2 3.53Å; T212-F216 HydrophobicContact CG2-CG 4.27Å; T212-F216 HydrophobicContact CG2-CZ 3.6Å; T212-F216 WeakPolarHBondContact O-CB 3.48Å; T212-F216 VanDerWaalsContact O-CG 3.29Å; T212-F216 WeakPolarHBondContact O-CG 3.41Å; T212-F216 PolarHBondContact O-N 2.95Å; C213-F216 PolarHBondContact O-N 2.86Å; E214-F216 PolarHBondContact O-N 2.99Å; F216-Q219 PolarHBondContact O-N 3.47Å; F216-E220 PolarHBondContact O-N 3.1Å
217Q98.3Very high98Very high58 Ų5844.6 Ų44.627%0.27124%0.242SC..Hα-helixtrans-65.8-41.3174.3-168.5167.46.800111.4L3 Q4 F5 C213 E214 E220 G221L3-Q217 PolarHBondContact O-NE2 3.08Å; L3-Q217 VanDerWaalsContact O-NE2 3.11Å; Q4-Q217 VanDerWaalsContact CA-OE1 3.31Å; F5-Q217 HydrophobicContact CB-CB 4.27Å; F5-Q217 HydrophobicContact CD1-CB 4.35Å; F5-Q217 HydrophobicContact CD1-CG 4.1Å; F5-Q217 HydrophobicContact CD2-CB 3.59Å; F5-Q217 HydrophobicContact CD2-CG 4.17Å; F5-Q217 HydrophobicContact CE1-CG 4.25Å; F5-Q217 HydrophobicContact CE2-CB 3.97Å; F5-Q217 HydrophobicContact CE2-CG 4.31Å; F5-Q217 HydrophobicContact CG-CB 3.81Å; F5-Q217 HydrophobicContact CG-CG 4.08Å; F5-Q217 HydrophobicContact CZ-CG 4.35Å; C213-Q217 WeakPolarHBondContact O-CB 3.11Å; C213-Q217 PolarHBondContact O-N 3.32Å; E214-Q217 PolarHBondContact O-N 3.45Å; Q217-E220 PolarHBondContact O-N 3.02Å; Q217-G221 PolarHBondContact O-N 3.43Å
218Q97.5Very high98Very high116 Ų11647.6 Ų47.654%0.54224%0.243SC..Hα-helixtrans-61.9-45.5173.9-176.360.249.300111.6E214 V215 E220 G221 D222E214-Q218 PolarHBondContact O-N 3.34Å; V215-Q218 PolarHBondContact O-N 3.2Å; Q218-E220 VanDerWaalsContact C-N 3.26Å; Q218-E220 PolarHBondContact O-N 3.1Å; Q218-G221 PolarHBondContact O-N 3.22Å; Q218-G221 VanDerWaalsContact O-N 3.12Å; Q218-D222 PolarHBondContact NE2-OD1 2.98Å; Q218-D222 PolarHBondContact O-N 3.43Å
219Q97.8Very high97.9Very high5 Ų549.5 Ų49.52%0.02325%0.253CS..Hα-helixtrans-59.7-36.4177.2-76.8-176.9-0.600112.8L27 Q110 Q113 V215 F216 R223L27-Q219 HydrophobicContact CD2-CB 4.26Å; Q110-Q219 PolarHBondContact NE2-O 2.94Å; Q113-Q219 VanDerWaalsContact OE1-NE2 3.14Å; V215-Q219 WeakPolarHBondContact O-CG 3.39Å; V215-Q219 PolarHBondContact O-N 3.45Å; F216-Q219 PolarHBondContact O-N 3.47Å; Q219-R223 WeakPolarHBondContact O-CB 3.46Å; Q219-R223 PolarHBondContact O-N 3.47Å
220E97.9Very high97.8Very high17 Ų1750.1 Ų50.18%0.07926%0.258CS..Hα-helixtrans-70.5-39.5175.7-177.159.5-170.800111.6R26 F216 Q217 Q218 R223 I224R26-E220 IonicContact CZ-OE1 2.79Å; R26-E220 IonicContact NE-OE1 3.8Å; R26-E220 PolarHBondContact NE-OE1 3.45Å; R26-E220 IonicContact NH2-OE1 2.83Å; R26-E220 PolarHBondContact NH2-OE1 2.86Å; F216-E220 PolarHBondContact O-N 3.1Å; Q217-E220 PolarHBondContact O-N 3.02Å; Q218-E220 VanDerWaalsContact C-N 3.26Å; Q218-E220 PolarHBondContact O-N 3.1Å; E220-R223 WeakPolarHBondContact O-CB 3.34Å; E220-R223 PolarHBondContact O-N 3.38Å; E220-R223 IonicContact OE1-CZ 3.85Å; E220-R223 IonicContact OE1-NE 3.51Å; E220-R223 PolarHBondContact OE1-NE 3.12Å; E220-R223 IonicContact OE1-NH2 2.69Å; E220-R223 PolarHBondContact OE1-NH2 2.94Å; E220-R223 IonicContact OE2-CZ 3.24Å; E220-R223 IonicContact OE2-NE 2.96Å; E220-R223 PolarHBondContact OE2-NE 3.21Å; E220-R223 IonicContact OE2-NH2 2.77Å; E220-I224 HydrophobicContact CG-CD1 4.21Å; E220-I224 VanDerWaalsContact O-CG1 3.3Å; E220-I224 WeakPolarHBondContact O-CG1 3.36Å; E220-I224 PolarHBondContact O-N 3.45Å
221G97.9Very high97.8Very high35 Ų3550.8 Ų50.836%0.36126%0.263SS..Hα-helixtrans-59.2-47.417200000112.6Q217 Q218 R223 I224 N225Q217-G221 PolarHBondContact O-N 3.43Å; Q218-G221 PolarHBondContact O-N 3.22Å; Q218-G221 VanDerWaalsContact O-N 3.12Å; G221-R223 VanDerWaalsContact C-N 3.32Å; G221-R223 PolarHBondContact O-N 3.22Å; G221-I224 PolarHBondContact O-N 3.04Å; G221-N225 PolarHBondContact O-N 3.44Å
222D97.9Very high97.8Very high64 Ų6456.2 Ų56.234%0.34228%0.275SS..Hα-helixtrans-61-42.2177.5-67.3-17.8000111.4F106 Q218 N225 I226F106-D222 HydrophobicContact CE2-CB 4.36Å; Q218-D222 PolarHBondContact NE2-OD1 2.98Å; Q218-D222 PolarHBondContact O-N 3.43Å; D222-N225 PolarHBondContact O-N 2.77Å; D222-I226 WeakPolarHBondContact O-CB 3.36Å; D222-I226 WeakPolarHBondContact O-CG1 3.41Å; D222-I226 PolarHBondContact O-N 3.26Å
223R98.4Very high97.8Very high20 Ų2058.4 Ų58.48%0.07529%0.288CS..Hα-helixtrans-59.8-48.7176.6-170.7-163.564.974.712.7111.8F106 Q219 E220 G221 N225 I226 L227F106-R223 HydrophobicContact CE1-CB 4.35Å; F106-R223 HydrophobicContact CE1-CG 4.3Å; F106-R223 HydrophobicContact CZ-CB 4.17Å; Q219-R223 WeakPolarHBondContact O-CB 3.46Å; Q219-R223 PolarHBondContact O-N 3.47Å; E220-R223 WeakPolarHBondContact O-CB 3.34Å; E220-R223 PolarHBondContact O-N 3.38Å; E220-R223 IonicContact OE1-CZ 3.85Å; E220-R223 IonicContact OE1-NE 3.51Å; E220-R223 PolarHBondContact OE1-NE 3.12Å; E220-R223 IonicContact OE1-NH2 2.69Å; E220-R223 PolarHBondContact OE1-NH2 2.94Å; E220-R223 IonicContact OE2-CZ 3.24Å; E220-R223 IonicContact OE2-NE 2.96Å; E220-R223 PolarHBondContact OE2-NE 3.21Å; E220-R223 IonicContact OE2-NH2 2.77Å; G221-R223 VanDerWaalsContact C-N 3.32Å; G221-R223 PolarHBondContact O-N 3.22Å; R223-N225 VanDerWaalsContact C-N 3.33Å; R223-N225 PolarHBondContact O-N 3.21Å; R223-I226 PolarHBondContact O-N 3.03Å; R223-L227 HydrophobicContact CG-CD1 4.11Å; R223-L227 PolarHBondContact O-N 2.95Å
224I98.5Very high97.7Very high91 Ų9160 Ų6047%0.46730%0.295SS..Hα-helixtrans-59.9-47.7179.4-69.9165.7000109.8E220 G221 I226 L227 R228E220-I224 HydrophobicContact CG-CD1 4.21Å; E220-I224 VanDerWaalsContact O-CG1 3.3Å; E220-I224 WeakPolarHBondContact O-CG1 3.36Å; E220-I224 PolarHBondContact O-N 3.45Å; G221-I224 PolarHBondContact O-N 3.04Å; I224-I226 PolarHBondContact O-N 3.31Å; I224-L227 PolarHBondContact O-N 2.71Å; I224-R228 WeakPolarHBondContact O-CB 3.41Å; I224-R228 PolarHBondContact O-N 3.43Å
225N98Very high97.7Very high67 Ų6758.4 Ų58.436%0.35829%0.294SS..Hα-helixtrans-61.3-46.1-179.6-175.140.3000111.9G221 D222 R223 R228 N229G221-N225 PolarHBondContact O-N 3.44Å; D222-N225 PolarHBondContact O-N 2.77Å; R223-N225 VanDerWaalsContact C-N 3.33Å; R223-N225 PolarHBondContact O-N 3.21Å; N225-R228 PolarHBondContact O-N 2.75Å; N225-R228 PolarHBondContact OD1-NH2 2.72Å; N225-N229 WeakPolarHBondContact O-CB 3.35Å; N225-N229 PolarHBondContact O-N 2.73Å; N225-N229 PolarHBondContact O-ND2 2.98Å; N225-N229 PolarHBondContact O-OD1 3.3Å; N225-N229 PolarHBondContact OD1-ND2 3.39Å
226I96.9Very high97.8Very high55 Ų5560.3 Ų60.328%0.28230%0.303SS..Hα-helixtrans-64.4-44.4-179.6-77.2169.8000111.8M103 F106 D222 R223 I224 N229 A230M103-I226 HydrophobicContact CE-CG2 3.95Å; M103-I226 HydrophobicContact SD-CG2 4.19Å; F106-I226 HydrophobicContact CB-CD1 4.33Å; F106-I226 HydrophobicContact CD1-CD1 4.01Å; F106-I226 HydrophobicContact CD1-CG2 4.09Å; F106-I226 HydrophobicContact CD2-CD1 3.19Å; F106-I226 HydrophobicContact CE1-CD1 4.11Å; F106-I226 HydrophobicContact CE1-CG2 4.43Å; F106-I226 HydrophobicContact CE2-CD1 3.33Å; F106-I226 HydrophobicContact CG-CD1 3.56Å; F106-I226 HydrophobicContact CG-CG2 4.4Å; F106-I226 HydrophobicContact CZ-CD1 3.79Å; D222-I226 WeakPolarHBondContact O-CB 3.36Å; D222-I226 WeakPolarHBondContact O-CG1 3.41Å; D222-I226 PolarHBondContact O-N 3.26Å; R223-I226 PolarHBondContact O-N 3.03Å; I224-I226 PolarHBondContact O-N 3.31Å; I226-N229 PolarHBondContact O-N 3.3Å; I226-A230 WeakPolarHBondContact O-CB 3.36Å; I226-A230 PolarHBondContact O-N 3.02Å
227L98.1Very high97.7Very high16 Ų1663.5 Ų63.58%0.08432%0.318CS..Hα-helixtrans-64.8-44.7178.1-75.9169.2000111.8M33 M37 M103 R223 I224 N229 A230 I231M33-L227 HydrophobicContact CG-CD1 4.02Å; M37-L227 HydrophobicContact CB-CD2 3.81Å; M37-L227 HydrophobicContact CG-CD2 3.9Å; M103-L227 HydrophobicContact CE-CD2 3.92Å; M103-L227 HydrophobicContact SD-CD2 4.24Å; R223-L227 HydrophobicContact CG-CD1 4.11Å; R223-L227 PolarHBondContact O-N 2.95Å; I224-L227 PolarHBondContact O-N 2.71Å; L227-N229 VanDerWaalsContact C-N 3.3Å; L227-N229 PolarHBondContact O-N 3.3Å; L227-A230 PolarHBondContact O-N 3.1Å; L227-I231 WeakPolarHBondContact O-CG1 3.28Å; L227-I231 PolarHBondContact O-N 2.97Å
228R98.3Very high97.7Very high156 Ų15662.1 Ų62.159%0.58931%0.311SS*.Hα-helixtrans-55.9-47.9174.5-179.2-170.266.6176.2-2.5111I224 N225 A230 I231 W232I224-R228 WeakPolarHBondContact O-CB 3.41Å; I224-R228 PolarHBondContact O-N 3.43Å; N225-R228 PolarHBondContact O-N 2.75Å; N225-R228 PolarHBondContact OD1-NH2 2.72Å; R228-A230 VanDerWaalsContact C-N 3.34Å; R228-A230 PolarHBondContact O-N 3.5Å; R228-I231 PolarHBondContact O-N 3.16Å; R228-W232 WeakPolarHBondContact O-CB 3.41Å; R228-W232 PolarHBondContact O-N 3.4Å
229N96.4Very high97.7Very high68 Ų6860 Ų6036%0.36431%0.309SS..Hα-helixtrans-66.5-37.4-179-65.4-11.1000111.6N225 I226 L227 W232 V233N225-N229 WeakPolarHBondContact O-CB 3.35Å; N225-N229 PolarHBondContact O-N 2.73Å; N225-N229 PolarHBondContact O-ND2 2.98Å; N225-N229 PolarHBondContact O-OD1 3.3Å; N225-N229 PolarHBondContact OD1-ND2 3.39Å; I226-N229 PolarHBondContact O-N 3.3Å; L227-N229 VanDerWaalsContact C-N 3.3Å; L227-N229 PolarHBondContact O-N 3.3Å; N229-W232 PolarHBondContact O-N 3.32Å; N229-V233 WeakPolarHBondContact O-CB 3.4Å; N229-V233 VanDerWaalsContact O-CG2 3.28Å; N229-V233 WeakPolarHBondContact O-CG2 3.17Å; N229-V233 PolarHBondContact O-N 3.35Å
230A96.6Very high97.7Very high14 Ų1464.6 Ų64.612%0.11633%0.331CS..Hα-helixtrans-62.3-44175.500000111.8M37 M103 I226 L227 R228 H234M37-A230 HydrophobicContact CE-CB 4.12Å; M103-A230 HydrophobicContact CE-CB 3.8Å; I226-A230 WeakPolarHBondContact O-CB 3.36Å; I226-A230 PolarHBondContact O-N 3.02Å; L227-A230 PolarHBondContact O-N 3.1Å; R228-A230 VanDerWaalsContact C-N 3.34Å; R228-A230 PolarHBondContact O-N 3.5Å; A230-H234 VanDerWaalsContact O-CB 3.23Å; A230-H234 WeakPolarHBondContact O-CB 3.42Å; A230-H234 PolarHBondContact O-N 3.41Å
231I98Very high97.7Very high95 Ų9564.3 Ų64.349%0.48733%0.33SS..Hα-helixtrans-63.7-42.9176.3-65.9164.8000110.8M37 L227 R228 H234 S235M37-I231 HydrophobicContact CE-CG1 3.94Å; L227-I231 WeakPolarHBondContact O-CG1 3.28Å; L227-I231 PolarHBondContact O-N 2.97Å; R228-I231 PolarHBondContact O-N 3.16Å; I231-H234 WeakPolarHBondContact O-CB 3.47Å; I231-H234 PolarHBondContact O-N 3.37Å; I231-S235 PolarHBondContact O-N 3.21Å; I231-S235 PolarHBondContact O-OG 2.94Å
232W98.1Very high97.7Very high171 Ų17166.8 Ų66.865%0.64834%0.341SS*.Hα-helixtrans-62.1-51.5177.6-175.4-82.2000112R228 N229 H234 S235 N236R228-W232 WeakPolarHBondContact O-CB 3.41Å; R228-W232 PolarHBondContact O-N 3.4Å; N229-W232 PolarHBondContact O-N 3.32Å; W232-H234 VanDerWaalsContact C-N 3.31Å; W232-H234 PolarHBondContact O-N 2.9Å; W232-S235 PolarHBondContact O-N 3.18Å; W232-N236 PolarHBondContact NE1-ND2 3.37Å; W232-N236 PolarHBondContact O-N 3.18Å
233V96.3Very high97.8Very high48 Ų4867.3 Ų67.329%0.29135%0.346SS..Hα-helixtrans-59.5-44.6178169.50000110.3N229 S235 N236 Q237N229-V233 WeakPolarHBondContact O-CB 3.4Å; N229-V233 VanDerWaalsContact O-CG2 3.28Å; N229-V233 WeakPolarHBondContact O-CG2 3.17Å; N229-V233 PolarHBondContact O-N 3.35Å; V233-S235 PolarHBondContact O-N 2.83Å; V233-N236 PolarHBondContact O-N 3.2Å; V233-Q237 HydrophobicContact CG1-CG 4.17Å; V233-Q237 VanDerWaalsContact O-CG 3.29Å; V233-Q237 WeakPolarHBondContact O-CG 3.43Å; V233-Q237 PolarHBondContact O-N 3.27Å
234H97.3Very high97.8Very high34 Ų3469.7 Ų69.716%0.15736%0.357CS..Hα-helixtrans-54.1-51.8175.7-176.988.7000111.7L41 A230 I231 W232 N236 Q237 F238L41-H234 WeakPolarHBondContact CD2-ND1 3.43Å; A230-H234 VanDerWaalsContact O-CB 3.23Å; A230-H234 WeakPolarHBondContact O-CB 3.42Å; A230-H234 PolarHBondContact O-N 3.41Å; I231-H234 WeakPolarHBondContact O-CB 3.47Å; I231-H234 PolarHBondContact O-N 3.37Å; W232-H234 VanDerWaalsContact C-N 3.31Å; W232-H234 PolarHBondContact O-N 2.9Å; H234-N236 VanDerWaalsContact C-N 3.29Å; H234-N236 PolarHBondContact O-N 2.98Å; H234-Q237 PolarHBondContact O-N 3.4Å; H234-F238 AromaticContact CD2-CD2 3.99Å; H234-F238 AromaticContact CE1-CD2 3.87Å; H234-F238 AromaticContact CE1-CE2 3.41Å; H234-F238 VanDerWaalsContact CE1-CE2 3.41Å; H234-F238 WeakPolarHBondContact CE1-CE2 3.45Å; H234-F238 AromaticContact ND1-CE2 3.88Å; H234-F238 AromaticContact NE2-CD2 3.73Å; H234-F238 AromaticContact NE2-CE2 3.67Å; H234-F238 WeakPolarHBondContact O-CD2 3.44Å; H234-F238 PolarHBondContact O-N 3.46Å; H234-F238 VanDerWaalsContact O-N 3.17Å
235S98.3Very high97.7Very high57 Ų5766.9 Ų66.940%0.39934%0.343SS..Hα-helixtrans-59.1-41.4179.9-53.40000112I231 W232 V233 F238 S239I231-S235 PolarHBondContact O-N 3.21Å; I231-S235 PolarHBondContact O-OG 2.94Å; W232-S235 PolarHBondContact O-N 3.18Å; V233-S235 PolarHBondContact O-N 2.83Å; S235-F238 PolarHBondContact O-N 3.28Å; S235-S239 WeakPolarHBondContact O-CB 3.42Å; S235-S239 PolarHBondContact O-N 3.01Å; S235-S239 PolarHBondContact O-OG 2.72Å
236N98.1Very high97.8Very high80 Ų8068.2 Ų68.243%0.42835%0.35SS..Hα-helixtrans-68.5-39.8178.5-73.53.8000112.9W232 V233 H234 F238 S239 M240W232-N236 PolarHBondContact NE1-ND2 3.37Å; W232-N236 PolarHBondContact O-N 3.18Å; V233-N236 PolarHBondContact O-N 3.2Å; H234-N236 VanDerWaalsContact C-N 3.29Å; H234-N236 PolarHBondContact O-N 2.98Å; N236-F238 VanDerWaalsContact C-N 3.3Å; N236-F238 PolarHBondContact O-N 2.96Å; N236-S239 PolarHBondContact O-N 3.12Å; N236-M240 VanDerWaalsContact O-CB 3.29Å; N236-M240 WeakPolarHBondContact O-CB 3.48Å; N236-M240 PolarHBondContact O-N 2.7Å
237Q97.1Very high97.8Very high66 Ų6671.1 Ų71.131%0.30836%0.362SS..Hα-helixtrans-61.9-41.2177.4-69.2-62-21.700111.3L92 V95 V233 H234 M240 Q241L92-Q237 HydrophobicContact CD1-CB 3.75Å; V95-Q237 HydrophobicContact CG1-CG 4.35Å; V233-Q237 HydrophobicContact CG1-CG 4.17Å; V233-Q237 VanDerWaalsContact O-CG 3.29Å; V233-Q237 WeakPolarHBondContact O-CG 3.43Å; V233-Q237 PolarHBondContact O-N 3.27Å; H234-Q237 PolarHBondContact O-N 3.4Å; Q237-M240 PolarHBondContact O-N 2.97Å; Q237-Q241 PolarHBondContact O-N 2.93Å
238F97.8Very high97.9Very high30 Ų3071 Ų7113%0.13236%0.363CS..Hα-helixtrans-70.5-41.2177-84.9-76000113.1R44 E48 L92 L96 H234 S235 N236 M240 Q241 C242R44-F238 HydrophobicContact CG-CE2 4.02Å; R44-F238 HydrophobicContact CG-CZ 3.72Å; R44-F238 VanDerWaalsContact CZ-CE1 3.44Å; R44-F238 VanDerWaalsContact CZ-CZ 3.44Å; E48-F238 HydrophobicContact CG-CE1 4.16Å; E48-F238 HydrophobicContact CG-CZ 3.84Å; E48-F238 WeakPolarHBondContact OE1-CE1 3.39Å; E48-F238 WeakPolarHBondContact OE1-CZ 3.5Å; L92-F238 HydrophobicContact CD2-CD1 4.19Å; L92-F238 HydrophobicContact CD2-CE1 3.69Å; L92-F238 HydrophobicContact CD2-CZ 3.88Å; L96-F238 HydrophobicContact CD1-CE2 4.06Å; L96-F238 HydrophobicContact CD1-CZ 4.05Å; L96-F238 HydrophobicContact CD2-CE2 4.41Å; H234-F238 AromaticContact CD2-CD2 3.99Å; H234-F238 AromaticContact CE1-CD2 3.87Å; H234-F238 AromaticContact CE1-CE2 3.41Å; H234-F238 VanDerWaalsContact CE1-CE2 3.41Å; H234-F238 WeakPolarHBondContact CE1-CE2 3.45Å; H234-F238 AromaticContact ND1-CE2 3.88Å; H234-F238 AromaticContact NE2-CD2 3.73Å; H234-F238 AromaticContact NE2-CE2 3.67Å; H234-F238 WeakPolarHBondContact O-CD2 3.44Å; H234-F238 PolarHBondContact O-N 3.46Å; H234-F238 VanDerWaalsContact O-N 3.17Å; S235-F238 PolarHBondContact O-N 3.28Å; N236-F238 VanDerWaalsContact C-N 3.3Å; N236-F238 PolarHBondContact O-N 2.96Å; F238-M240 VanDerWaalsContact C-N 3.28Å; F238-M240 PolarHBondContact O-N 3.15Å; F238-Q241 WeakPolarHBondContact O-CB 3.48Å; F238-Q241 PolarHBondContact O-N 3.38Å; F238-Q241 VanDerWaalsContact O-N 3.12Å; F238-C242 PolarHBondContact O-N 3.22Å; F238-C242 VanDerWaalsContact O-N 3.09Å; F238-C242 PolarHBondContact O-SG 3.06Å; F238-C242 VanDerWaalsContact O-SG 3.35Å
239S98.4Very high97.9Very high71 Ų7168 Ų6850%0.49735%0.352SS..Hα-helixtrans-60.7-41.7174.8-560000111.3S235 N236 Q241 C242 V243S235-S239 WeakPolarHBondContact O-CB 3.42Å; S235-S239 PolarHBondContact O-N 3.01Å; S235-S239 PolarHBondContact O-OG 2.72Å; N236-S239 PolarHBondContact O-N 3.12Å; S239-Q241 VanDerWaalsContact C-N 3.32Å; S239-Q241 PolarHBondContact O-N 2.98Å; S239-C242 PolarHBondContact O-N 3.41Å; S239-V243 PolarHBondContact O-N 3.22Å
240M97.7Very high98Very high101 Ų10167.9 Ų67.950%0.49835%0.35SS..Hα-helixtrans-63.3-37.7175.1-175.265.762.100112N236 Q237 F238 V243 K244N236-M240 VanDerWaalsContact O-CB 3.29Å; N236-M240 WeakPolarHBondContact O-CB 3.48Å; N236-M240 PolarHBondContact O-N 2.7Å; Q237-M240 PolarHBondContact O-N 2.97Å; F238-M240 VanDerWaalsContact C-N 3.28Å; F238-M240 PolarHBondContact O-N 3.15Å; M240-V243 PolarHBondContact O-N 3.18Å; M240-K244 WeakPolarHBondContact O-CG 3.35Å; M240-K244 PolarHBondContact O-N 2.95Å; M240-K244 VanDerWaalsContact O-N 3.11Å
241Q98Very high98Very high12 Ų1271.1 Ų71.16%0.05636%0.362CS..Hα-helixtrans-62.1-44.5176.1-170.359.451.500111.2L88 L92 Q237 F238 S239 V243 K244 D245L88-Q241 VanDerWaalsContact CB-NE2 3.35Å; L92-Q241 HydrophobicContact CD2-CB 4.14Å; L92-Q241 HydrophobicContact CD2-CG 4.1Å; Q237-Q241 PolarHBondContact O-N 2.93Å; F238-Q241 WeakPolarHBondContact O-CB 3.48Å; F238-Q241 PolarHBondContact O-N 3.38Å; F238-Q241 VanDerWaalsContact O-N 3.12Å; S239-Q241 VanDerWaalsContact C-N 3.32Å; S239-Q241 PolarHBondContact O-N 2.98Å; Q241-V243 VanDerWaalsContact C-N 3.3Å; Q241-V243 PolarHBondContact O-N 3.44Å; Q241-K244 PolarHBondContact O-N 2.67Å; Q241-D245 PolarHBondContact NE2-OD1 2.99Å; Q241-D245 VanDerWaalsContact O-CG 3.28Å; Q241-D245 PolarHBondContact O-N 3.4Å
242C98.2Very high98.1Very high86 Ų8667 Ų6758%0.58134%0.342SS*.Hα-helixtrans-57.9-41.8177.1-620000112.6F238 S239 D245 D246F238-C242 PolarHBondContact O-N 3.22Å; F238-C242 VanDerWaalsContact O-N 3.09Å; F238-C242 PolarHBondContact O-SG 3.06Å; F238-C242 VanDerWaalsContact O-SG 3.35Å; S239-C242 PolarHBondContact O-N 3.41Å; C242-D245 PolarHBondContact O-N 3.37Å; C242-D246 PolarHBondContact O-N 3.45Å; C242-D246 VanDerWaalsContact O-N 3.11Å
243V98.6Very high98.1Very high75 Ų7562.5 Ų62.546%0.45533%0.325SS..Hα-helixtrans-64.5-43.9177.7175.80000111.1S239 M240 Q241 D245 D246 E247S239-V243 PolarHBondContact O-N 3.22Å; M240-V243 PolarHBondContact O-N 3.18Å; Q241-V243 VanDerWaalsContact C-N 3.3Å; Q241-V243 PolarHBondContact O-N 3.44Å; V243-D245 VanDerWaalsContact C-N 3.33Å; V243-D245 PolarHBondContact O-N 2.91Å; V243-D246 WeakPolarHBondContact O-CB 3.49Å; V243-D246 PolarHBondContact O-N 3.1Å; V243-E247 WeakPolarHBondContact O-CG 3.45Å; V243-E247 PolarHBondContact O-N 3.45Å
244K98.2Very high98.2Very high71 Ų7164.6 Ų64.631%0.30933%0.33SS..Hα-helixtrans-65.1-37.6178.7-70178.1177.7-179.30112.8L88 M240 Q241 D246 E247 C248L88-K244 HydrophobicContact CD1-CB 3.86Å; L88-K244 HydrophobicContact CD1-CD 4.21Å; L88-K244 HydrophobicContact CD2-CD 4.07Å; M240-K244 WeakPolarHBondContact O-CG 3.35Å; M240-K244 PolarHBondContact O-N 2.95Å; M240-K244 VanDerWaalsContact O-N 3.11Å; Q241-K244 PolarHBondContact O-N 2.67Å; K244-D246 VanDerWaalsContact C-N 3.32Å; K244-E247 PolarHBondContact O-N 3.27Å; K244-C248 PolarHBondContact O-N 3.19Å
245D98.3Very high98.2Very high32 Ų3264.5 Ų64.517%0.17133%0.332CS..Hα-helixtrans-64.9-40.4176.6-66.3-6.2000110.7H89 Q241 C242 V243 C248 Y249H89-D245 IonicContact NE2-OD2 2.97Å; H89-D245 PolarHBondContact NE2-OD2 3.39Å; Q241-D245 PolarHBondContact NE2-OD1 2.99Å; Q241-D245 VanDerWaalsContact O-CG 3.28Å; Q241-D245 PolarHBondContact O-N 3.4Å; C242-D245 PolarHBondContact O-N 3.37Å; V243-D245 VanDerWaalsContact C-N 3.33Å; V243-D245 PolarHBondContact O-N 2.91Å; D245-C248 WeakPolarHBondContact O-CB 3.29Å; D245-C248 PolarHBondContact O-N 3.19Å; D245-Y249 WeakPolarHBondContact O-CD2 3.34Å; D245-Y249 PolarHBondContact O-N 3.06Å; D245-Y249 VanDerWaalsContact O-N 3.1Å
246D98.6Very high98.1Very high95 Ų9565.7 Ų65.751%0.50833%0.333SS..Hα-helixtrans-61.4-46.8174.1-176.957.5000111.9C242 V243 K244 C248 Y249 E250 R253C242-D246 PolarHBondContact O-N 3.45Å; C242-D246 VanDerWaalsContact O-N 3.11Å; V243-D246 WeakPolarHBondContact O-CB 3.49Å; V243-D246 PolarHBondContact O-N 3.1Å; K244-D246 VanDerWaalsContact C-N 3.32Å; D246-C248 VanDerWaalsContact C-N 3.3Å; D246-C248 PolarHBondContact O-N 2.96Å; D246-Y249 PolarHBondContact O-N 3.49Å; D246-E250 WeakPolarHBondContact O-CB 3.41Å; D246-E250 PolarHBondContact O-N 3.03Å; D246-R253 IonicContact OD1-NH2 3.84Å
247E98.4Very high98.1Very high115 Ų11569.2 Ų69.254%0.53735%0.347SS..Hα-helixtrans-56.6-42.4174.3-70.7173.2170.100111.9V243 K244 E250 E251V243-E247 WeakPolarHBondContact O-CG 3.45Å; V243-E247 PolarHBondContact O-N 3.45Å; K244-E247 PolarHBondContact O-N 3.27Å; E247-E250 WeakPolarHBondContact O-CB 3.2Å; E247-E250 PolarHBondContact O-N 3.16Å; E247-E251 PolarHBondContact O-N 3.05Å
248C98.5Very high98.1Very high14 Ų1472.4 Ų72.410%0.09537%0.365CS..Hα-helixtrans-60.6-45176.4-84.10000112.4Q81 I85 K244 D245 D246 E250 E251 V252Q81-C248 HydrophobicContact CB-CB 4.26Å; Q81-C248 VanDerWaalsContact CG-O 3.28Å; Q81-C248 WeakPolarHBondContact CG-O 3.49Å; Q81-C248 PolarHBondContact OE1-SG 3.27Å; I85-C248 HydrophobicContact CD1-CB 3.85Å; I85-C248 HydrophobicContact CG1-CB 3.74Å; K244-C248 PolarHBondContact O-N 3.19Å; D245-C248 WeakPolarHBondContact O-CB 3.29Å; D245-C248 PolarHBondContact O-N 3.19Å; D246-C248 VanDerWaalsContact C-N 3.3Å; D246-C248 PolarHBondContact O-N 2.96Å; C248-E250 VanDerWaalsContact C-N 3.33Å; C248-E251 PolarHBondContact O-N 3.24Å; C248-V252 PolarHBondContact O-N 2.9Å
249Y98.3Very high98Very high92 Ų9273.2 Ų73.236%0.36137%0.374SS..Hα-helixtrans-73.4-26.7178.5-72.9-61.7000113.1L78 I85 D245 D246 E251 V252 R253L78-Y249 HydrophobicContact CD1-CE1 4.34Å; I85-Y249 HydrophobicContact CD1-CD2 4.11Å; I85-Y249 HydrophobicContact CD1-CE1 4.21Å; I85-Y249 HydrophobicContact CD1-CE2 3.49Å; I85-Y249 VanDerWaalsContact CD1-CE2 3.49Å; D245-Y249 WeakPolarHBondContact O-CD2 3.34Å; D245-Y249 PolarHBondContact O-N 3.06Å; D245-Y249 VanDerWaalsContact O-N 3.1Å; D246-Y249 PolarHBondContact O-N 3.49Å; Y249-E251 VanDerWaalsContact C-N 3.33Å; Y249-V252 WeakPolarHBondContact O-CB 3.26Å; Y249-V252 PolarHBondContact O-N 3.4Å; Y249-R253 PolarHBondContact O-N 3.3Å
250E98.4Very high98Very high67 Ų6773.4 Ų73.431%0.31337%0.37SS..Hα-helixtrans-62.7-39.3171.7-174.257.9-159.100111.9D246 E247 C248 V252 R253 K254D246-E250 WeakPolarHBondContact O-CB 3.41Å; D246-E250 PolarHBondContact O-N 3.03Å; E247-E250 WeakPolarHBondContact O-CB 3.2Å; E247-E250 PolarHBondContact O-N 3.16Å; C248-E250 VanDerWaalsContact C-N 3.33Å; E250-V252 VanDerWaalsContact C-N 3.28Å; E250-V252 PolarHBondContact O-N 3.2Å; E250-R253 PolarHBondContact O-N 3.5Å; E250-R253 VanDerWaalsContact O-N 3.16Å; E250-R253 IonicContact OE2-CZ 2.59Å; E250-R253 IonicContact OE2-NE 3.97Å; E250-R253 PolarHBondContact OE2-NE 3Å; E250-R253 IonicContact OE2-NH2 3.77Å; E250-R253 PolarHBondContact OE2-NH2 3.09Å; E250-K254 WeakPolarHBondContact O-CG 3.42Å; E250-K254 PolarHBondContact O-N 3.22Å
251E98.3Very high98Very high81 Ų8174.9 Ų74.938%0.37938%0.378SS..Hα-helixtrans-63.5-33.1173.5-66.5-56.2121.800113.1Q81 E247 C248 Y249 K254 T255Q81-E251 HydrophobicContact CG-CB 4.46Å; E247-E251 PolarHBondContact O-N 3.05Å; C248-E251 PolarHBondContact O-N 3.24Å; Y249-E251 VanDerWaalsContact C-N 3.33Å; E251-K254 IonicContact OE1-NZ 2.85Å; E251-K254 PolarHBondContact OE1-NZ 2.91Å; E251-T255 PolarHBondContact O-N 3.12Å; E251-T255 PolarHBondContact O-OG1 3.45Å
252V98.4Very high98Very high9 Ų978.5 Ų78.56%0.05540%0.402CS..Hα-helixtrans-65.9-45.6172.5-174.90000110.5L78 Q81 C248 Y249 E250 K254 T255 L256L78-V252 HydrophobicContact CB-CG1 3.95Å; L78-V252 HydrophobicContact CD1-CG1 4.16Å; L78-V252 HydrophobicContact CD1-CG2 4.26Å; Q81-V252 HydrophobicContact CB-CG2 3.75Å; Q81-V252 HydrophobicContact CG-CG2 3.67Å; C248-V252 PolarHBondContact O-N 2.9Å; Y249-V252 WeakPolarHBondContact O-CB 3.26Å; Y249-V252 PolarHBondContact O-N 3.4Å; E250-V252 VanDerWaalsContact C-N 3.28Å; E250-V252 PolarHBondContact O-N 3.2Å; V252-K254 PolarHBondContact O-N 3.31Å; V252-T255 PolarHBondContact O-N 3.32Å; V252-L256 HydrophobicContact CG1-CD1 4.02Å; V252-L256 PolarHBondContact O-N 3.44Å
253R98.5Very high97.9Very high77 Ų7775.9 Ų75.929%0.29139%0.386SS..Hα-helixtrans-60.1-45.7178.7-73.6-173.5-72.4-99.24.4111.8D246 Y249 E250 T255 L256 E257D246-R253 IonicContact OD1-NH2 3.84Å; Y249-R253 PolarHBondContact O-N 3.3Å; E250-R253 PolarHBondContact O-N 3.5Å; E250-R253 VanDerWaalsContact O-N 3.16Å; E250-R253 IonicContact OE2-CZ 2.59Å; E250-R253 IonicContact OE2-NE 3.97Å; E250-R253 PolarHBondContact OE2-NE 3Å; E250-R253 IonicContact OE2-NH2 3.77Å; E250-R253 PolarHBondContact OE2-NH2 3.09Å; R253-T255 VanDerWaalsContact C-N 3.25Å; R253-T255 PolarHBondContact O-N 3.01Å; R253-L256 WeakPolarHBondContact O-CB 3.43Å; R253-L256 PolarHBondContact O-N 2.95Å; R253-L256 VanDerWaalsContact O-N 3.1Å; R253-E257 WeakPolarHBondContact O-CG 3.28Å; R253-E257 PolarHBondContact O-N 2.95Å
254K98.2Very high97.9Very high91 Ų9173.2 Ų73.240%0.39637%0.369SS..Hα-helixtrans-57.5-37.2175.6-71.2173.5-173162.70113.2E250 E251 V252E250-K254 WeakPolarHBondContact O-CG 3.42Å; E250-K254 PolarHBondContact O-N 3.22Å; E251-K254 IonicContact OE1-NZ 2.85Å; E251-K254 PolarHBondContact OE1-NZ 2.91Å; V252-K254 PolarHBondContact O-N 3.31Å
255T98.1Very high97.9Very high33 Ų3374.2 Ų74.220%0.20238%0.378CS..Hα-helixtrans-74.4-38177.5-58.40000111.3S74 Q77 E251 V252 R253 E257 L258S74-T255 PolarHBondContact OG-O 3.09Å; Q77-T255 HydrophobicContact CB-CG2 3.99Å; Q77-T255 HydrophobicContact CG-CG2 4.3Å; Q77-T255 WeakPolarHBondContact CG-OG1 3.48Å; E251-T255 PolarHBondContact O-N 3.12Å; E251-T255 PolarHBondContact O-OG1 3.45Å; V252-T255 PolarHBondContact O-N 3.32Å; R253-T255 VanDerWaalsContact C-N 3.25Å; R253-T255 PolarHBondContact O-N 3.01Å; T255-E257 VanDerWaalsContact C-N 3.28Å; T255-E257 PolarHBondContact O-N 2.77Å; T255-L258 WeakPolarHBondContact O-CB 3.44Å; T255-L258 PolarHBondContact O-N 3.5Å
256L96.7Very high97.8Very high82 Ų8276.9 Ų76.943%0.42939%0.392SS..Hα-helixtrans-61.8-33.7174.7-80.2165.1000112.9V252 R253 L258 C259V252-L256 HydrophobicContact CG1-CD1 4.02Å; V252-L256 PolarHBondContact O-N 3.44Å; R253-L256 WeakPolarHBondContact O-CB 3.43Å; R253-L256 PolarHBondContact O-N 2.95Å; R253-L256 VanDerWaalsContact O-N 3.1Å; L256-L258 PolarHBondContact O-N 2.96Å; L256-C259 WeakPolarHBondContact O-CB 3.39Å; L256-C259 PolarHBondContact O-N 3.26Å
257E97.1Very high97.8Very high153 Ų15373.7 Ų73.772%0.71538%0.377SS*.THydrogen-bonded Turntrans-61.2-21.3174.3-71.5173.8171.400113.1R253 T255R253-E257 WeakPolarHBondContact O-CG 3.28Å; R253-E257 PolarHBondContact O-N 2.95Å; T255-E257 VanDerWaalsContact C-N 3.28Å; T255-E257 PolarHBondContact O-N 2.77Å
258L96.9Very high97.7Very high133 Ų13373.7 Ų73.770%0.69638%0.375SS*.THydrogen-bonded Turntrans-91.60.5176.4-55.6176.6000113T255 L256 D260T255-L258 WeakPolarHBondContact O-CB 3.44Å; T255-L258 PolarHBondContact O-N 3.5Å; L256-L258 PolarHBondContact O-N 2.96Å; L258-D260 PolarHBondContact O-N 3.47Å
259C97.1Very high97.6Very high47 Ų4777.3 Ų77.332%0.31840%0.397SS..  trans-69.9120.6177.9-168.50000110.3L256L256-C259 WeakPolarHBondContact O-CB 3.39Å; L256-C259 PolarHBondContact O-N 3.26Å
260D97.2Very high97.5Very high76 Ų7680.4 Ų80.441%0.40642%0.415SS..  trans-122.3113.4-175.5-174.4-33.4000110.5T70 L258 T262 A263 D264T70-D260 PolarHBondContact OG1-N 3.47Å; T70-D260 PolarHBondContact OG1-O 3.48Å; L258-D260 PolarHBondContact O-N 3.47Å; D260-T262 VanDerWaalsContact C-N 3.31Å; D260-T262 PolarHBondContact O-N 3.34Å; D260-T262 WeakPolarHBondContact OD1-CA 3.33Å; D260-T262 WeakPolarHBondContact OD1-CB 3.38Å; D260-T262 PolarHBondContact OD1-N 3.39Å; D260-A263 HydrophobicContact CB-CB 3.79Å; D260-A263 PolarHBondContact O-N 3.12Å; D260-A263 PolarHBondContact OD1-N 2.85Å; D260-D264 PolarHBondContact O-N 3.08Å
261I97.3Very high97.4Very high131 Ų13182.7 Ų82.767%0.67243%0.427SS*.Hα-helixtrans-63.1-37.7-179.2-62.9170.5000111.5N265I261-N265 WeakPolarHBondContact CG2-ND2 3.5Å; I261-N265 WeakPolarHBondContact O-CB 3.3Å; I261-N265 PolarHBondContact O-N 2.95Å; I261-N265 VanDerWaalsContact O-N 3.09Å; I261-N265 PolarHBondContact O-ND2 3.18Å
262T97.9Very high97.3Very high89 Ų8985.2 Ų85.255%0.54644%0.437SS..Hα-helixtrans-69.3-47.9179.2-66.10000109.7D260 D264 N265 D266D260-T262 VanDerWaalsContact C-N 3.31Å; D260-T262 PolarHBondContact O-N 3.34Å; D260-T262 WeakPolarHBondContact OD1-CA 3.33Å; D260-T262 WeakPolarHBondContact OD1-CB 3.38Å; D260-T262 PolarHBondContact OD1-N 3.39Å; T262-D264 VanDerWaalsContact C-N 3.27Å; T262-D264 PolarHBondContact O-N 3Å; T262-N265 PolarHBondContact O-N 3.35Å; T262-D266 WeakPolarHBondContact O-CB 3.4Å; T262-D266 VanDerWaalsContact O-CG 3.28Å; T262-D266 PolarHBondContact O-N 3Å
263A97.4Very high97.2Very high31 Ų3188.7 Ų88.726%0.25646%0.461SS..Hα-helixtrans-58.8-39.7177.900000112.2N69 T70 D260 C267N69-A263 VanDerWaalsContact ND2-C 3.28Å; N69-A263 PolarHBondContact ND2-O 3.21Å; T70-A263 HydrophobicContact CG2-CB 4.39Å; D260-A263 HydrophobicContact CB-CB 3.79Å; D260-A263 PolarHBondContact O-N 3.12Å; D260-A263 PolarHBondContact OD1-N 2.85Å; A263-C267 VanDerWaalsContact O-CB 3.25Å; A263-C267 WeakPolarHBondContact O-CB 3.29Å; A263-C267 PolarHBondContact O-N 3.14Å
264D97.6Very high97Very high19 Ų1992.2 Ų92.210%0.10249%0.491CS..Hα-helixtrans-69.5-41.4178.8-78.127000112.3N69 T70 L71 D260 T262 C267 F268N69-D264 VanDerWaalsContact CB-OD1 3.29Å; N69-D264 WeakPolarHBondContact CB-OD1 3.43Å; N69-D264 PolarHBondContact ND2-OD1 3.02Å; T70-D264 WeakPolarHBondContact CA-OD1 3.33Å; T70-D264 VanDerWaalsContact CB-OD1 3.3Å; T70-D264 WeakPolarHBondContact CB-OD1 3.49Å; T70-D264 PolarHBondContact N-OD1 3.38Å; T70-D264 PolarHBondContact N-OD2 3.1Å; T70-D264 VanDerWaalsContact OG1-CG 3.27Å; T70-D264 PolarHBondContact OG1-OD1 3.28Å; T70-D264 PolarHBondContact OG1-OD2 3.06Å; L71-D264 WeakPolarHBondContact CB-OD2 3.33Å; L71-D264 PolarHBondContact N-OD2 2.71Å; D260-D264 PolarHBondContact O-N 3.08Å; T262-D264 VanDerWaalsContact C-N 3.27Å; T262-D264 PolarHBondContact O-N 3Å; D264-C267 PolarHBondContact O-N 3.03Å; D264-F268 PolarHBondContact O-N 3.02Å
265N97.7Very high96.6Very high92 Ų9290.3 Ų90.349%0.49250%0.498SS..Hα-helixtrans-65.5-43.4175.2-77.1-50000112.1I261 T262 C267 F268 V269I261-N265 WeakPolarHBondContact CG2-ND2 3.5Å; I261-N265 WeakPolarHBondContact O-CB 3.3Å; I261-N265 PolarHBondContact O-N 2.95Å; I261-N265 VanDerWaalsContact O-N 3.09Å; I261-N265 PolarHBondContact O-ND2 3.18Å; T262-N265 PolarHBondContact O-N 3.35Å; N265-C267 VanDerWaalsContact C-N 3.33Å; N265-F268 WeakPolarHBondContact O-CB 3.14Å; N265-F268 PolarHBondContact O-N 2.87Å; N265-V269 WeakPolarHBondContact O-CG2 3.45Å; N265-V269 PolarHBondContact O-N 3.48Å
266D97.6Very high96.1Very high87 Ų8795 Ų9547%0.46553%0.532SS..Hα-helixtrans-62.1-44.6177.6-71.2-15.6000110.2T262 F268 V269 E270T262-D266 WeakPolarHBondContact O-CB 3.4Å; T262-D266 VanDerWaalsContact O-CG 3.28Å; T262-D266 PolarHBondContact O-N 3Å; D266-F268 VanDerWaalsContact C-N 3.3Å; D266-F268 PolarHBondContact O-N 3.44Å; D266-V269 PolarHBondContact O-N 3Å; D266-E270 WeakPolarHBondContact O-CB 3.37Å; D266-E270 WeakPolarHBondContact O-CG 3.38Å; D266-E270 PolarHBondContact O-N 3.4Å
267C97.1Very high95.9Very high29 Ų2995.5 Ų95.520%0.19654%0.542CS..Hα-helixtrans-56.2-43.6173.8-1760000111.9I68 N69 A263 D264 N265 M271I68-C267 HydrophobicContact CD1-CB 4.44Å; N69-C267 HydrophobicContact CB-CB 3.97Å; A263-C267 VanDerWaalsContact O-CB 3.25Å; A263-C267 WeakPolarHBondContact O-CB 3.29Å; A263-C267 PolarHBondContact O-N 3.14Å; D264-C267 PolarHBondContact O-N 3.03Å; N265-C267 VanDerWaalsContact C-N 3.33Å; C267-M271 WeakPolarHBondContact O-CB 3.46Å; C267-M271 WeakPolarHBondContact O-CG 3.37Å; C267-M271 PolarHBondContact O-N 3.37Å
268F97.6Very high95.5Very high114 Ų11493.4 Ų93.450%0.554%0.542SS..Hα-helixtrans-62.5-47.8176.2179.6-99.3000112.6I68 D264 N265 D266 E270 M271 K272I68-F268 HydrophobicContact CD1-CB 3.74Å; I68-F268 HydrophobicContact CD1-CD2 4.37Å; D264-F268 PolarHBondContact O-N 3.02Å; N265-F268 WeakPolarHBondContact O-CB 3.14Å; N265-F268 PolarHBondContact O-N 2.87Å; D266-F268 VanDerWaalsContact C-N 3.3Å; D266-F268 PolarHBondContact O-N 3.44Å; F268-E270 VanDerWaalsContact C-N 3.33Å; F268-E270 PolarHBondContact O-N 3.46Å; F268-M271 PolarHBondContact O-N 3.47Å; F268-K272 HydrophobicContact CD2-CG 4Å; F268-K272 HydrophobicContact CE1-CB 4.33Å; F268-K272 HydrophobicContact CE1-CG 4.49Å; F268-K272 HydrophobicContact CE2-CB 4.32Å; F268-K272 HydrophobicContact CE2-CG 3.62Å; F268-K272 HydrophobicContact CZ-CB 4.12Å; F268-K272 HydrophobicContact CZ-CG 3.9Å; F268-K272 WeakPolarHBondContact O-CB 3.42Å; F268-K272 PolarHBondContact O-N 3.21Å
269V97Very high95.3Very high90 Ų9093.1 Ų93.155%0.54555%0.548SS..Hα-helixtrans-59.7-45.9179.9171.60000110.2N265 D266 M271 K272 S273N265-V269 WeakPolarHBondContact O-CG2 3.45Å; N265-V269 PolarHBondContact O-N 3.48Å; D266-V269 PolarHBondContact O-N 3Å; V269-M271 PolarHBondContact O-N 3.34Å; V269-K272 PolarHBondContact O-N 2.91Å; V269-S273 WeakPolarHBondContact O-CA 3.37Å; V269-S273 VanDerWaalsContact O-CB 3.28Å; V269-S273 WeakPolarHBondContact O-CB 3.3Å; V269-S273 PolarHBondContact O-N 2.94Å
270E95.7Very high95Very high158 Ų15894.9 Ų94.974%0.73857%0.566SS**Hα-helixtrans-60.3-43.9176.4-72.1-179.5176.100112.1D266 F268 K272D266-E270 WeakPolarHBondContact O-CB 3.37Å; D266-E270 WeakPolarHBondContact O-CG 3.38Å; D266-E270 PolarHBondContact O-N 3.4Å; F268-E270 VanDerWaalsContact C-N 3.33Å; F268-E270 PolarHBondContact O-N 3.46Å; E270-K272 PolarHBondContact O-N 3.46Å
271M95.6Very high94.6Very high115 Ų11596.8 Ų96.857%0.56758%0.583SS**Hα-helixtrans-70.9-28.9-179.2-73.8178.670.800114.1I68 C267 F268 V269I68-M271 HydrophobicContact CG2-SD 4.46Å; C267-M271 WeakPolarHBondContact O-CB 3.46Å; C267-M271 WeakPolarHBondContact O-CG 3.37Å; C267-M271 PolarHBondContact O-N 3.37Å; F268-M271 PolarHBondContact O-N 3.47Å; V269-M271 PolarHBondContact O-N 3.34Å
272K96.7Very high94.2Very high134 Ų13499 Ų9958%0.58359%0.594SS**Hα-helixtrans-120.47.3-169.2-60.3-60.1-177.9-173.70114.7F268 V269 E270 T274F268-K272 HydrophobicContact CD2-CG 4Å; F268-K272 HydrophobicContact CE1-CB 4.33Å; F268-K272 HydrophobicContact CE1-CG 4.49Å; F268-K272 HydrophobicContact CE2-CB 4.32Å; F268-K272 HydrophobicContact CE2-CG 3.62Å; F268-K272 HydrophobicContact CZ-CB 4.12Å; F268-K272 HydrophobicContact CZ-CG 3.9Å; F268-K272 WeakPolarHBondContact O-CB 3.42Å; F268-K272 PolarHBondContact O-N 3.21Å; V269-K272 PolarHBondContact O-N 2.91Å; E270-K272 PolarHBondContact O-N 3.46Å; K272-T274 PolarHBondContact O-N 3.27Å
273S95.3Very high93.8Very high82 Ų8299.9 Ų99.957%0.57360%0.599SS**  trans-57.3129.4177.5-174.90000111.7V269V269-S273 WeakPolarHBondContact O-CA 3.37Å; V269-S273 VanDerWaalsContact O-CB 3.28Å; V269-S273 WeakPolarHBondContact O-CB 3.3Å; V269-S273 PolarHBondContact O-N 2.94Å
274T95.4Very high93.1Very high150 Ų150107.1 Ų107.192%0.9263%0.625SS**  trans-111.34.7-178.7540000113K272K272-T274 PolarHBondContact O-N 3.27Å
275G89.3Confident92.2Very high52 Ų52112.7 Ų112.754%0.53665%0.651SS.*  trans142.2146.1-177.900000111.6
276S88.9Confident91.2Very high130 Ų130111.5 Ų111.591%0.90964%0.644SS**SBendtrans-97.1-8.5-179.553.80000113.6
277S90.5Very high89.8Confident93 Ų93116.8 Ų116.865%0.6566%0.659SS**SBendtrans-123.9137.9178.559.10000110.6
278P90.6Very high88.5Confident110 Ų110124.9 Ų124.971%0.71469%0.687SS**PPolyproline II helixtrans-61.3156.8171.228-34.2000110.8A280P278-A280 PolarHBondContact O-N 2.95Å
279P92.8Very high86.7Confident126 Ų126126.8 Ų126.882%0.81870%0.697SS**PPolyproline II helixtrans-51.9135.9173.5-25.834.5000111.4
280A89.8Confident84.7Confident85 Ų85132.4 Ų132.470%0.70271%0.708SS**PPolyproline II helixtrans-60.6143.1178.200000110.6P278 I282P278-A280 PolarHBondContact O-N 2.95Å; A280-I282 PolarHBondContact O-N 3.07Å
281P89.6Confident82.7Confident115 Ų115133.4 Ų133.475%0.74771%0.713SS**PPolyproline II helixtrans-55.8137.9172.8-23.333.2000111.1V283P281-V283 PolarHBondContact O-N 3.05Å
282I88.4Confident80.6Confident178 Ų178132.9 Ų132.991%0.91372%0.719SS**  trans-70.6114.8173.7-57.4175.2000107.8A280A280-I282 PolarHBondContact O-N 3.07Å
283V89.2Confident78.8Confident108 Ų108131.9 Ų131.966%0.65573%0.729SS**PPolyproline II helixtrans-92.2151.4174.8-65.90000110.4P281 E285P281-V283 PolarHBondContact O-N 3.05Å; V283-E285 PolarHBondContact O-N 3.16Å
284F82.6Confident76.4Confident183 Ų183134.6 Ų134.680%0.80374%0.742SS**PPolyproline II helixtrans-67119.4175.1171.2-101.1000110N286F284-N286 HydrophobicContact CE1-CB 3.94Å; F284-N286 HydrophobicContact CZ-CB 4.4Å
285E79.1Confident74.3Confident136 Ų136135.1 Ų135.164%0.63674%0.739SS**PPolyproline II helixtrans-100.4117.5172.1-70.9-176.1-165.600109.9V283 R290V283-E285 PolarHBondContact O-N 3.16Å; E285-R290 IonicContact OE2-NH2 3.74Å
286N77.2Confident72.3Confident66 Ų66137.7 Ų137.735%0.35375%0.749SS.*PPolyproline II helixtrans-74.2126.1175.2-171.3-39.5000110.3F284 Y288 E289F284-N286 HydrophobicContact CE1-CB 3.94Å; F284-N286 HydrophobicContact CZ-CB 4.4Å; N286-Y288 PolarHBondContact O-N 2.77Å; N286-Y288 PolarHBondContact OD1-N 2.83Å; N286-E289 PolarHBondContact O-N 3.42Å
287Y67.2Low70.6Confident198 Ų198139.2 Ų139.278%0.77675%0.747SS**THydrogen-bonded Turntrans-60.2-28-176.4-175.6-95.2000114.4
288Y70.2Confident68.1Low199 Ų199138.6 Ų138.678%0.7876%0.755SS**THydrogen-bonded Turntrans-96.6-6-173.7-64.9-76.9000114.4N286N286-Y288 PolarHBondContact O-N 2.77Å; N286-Y288 PolarHBondContact OD1-N 2.83Å
289E59.3Low66Low154 Ų154139.3 Ų139.372%0.7276%0.763SS**  trans-125.174.8-177.1-67.4-177.5171.500110.2N286N286-E289 PolarHBondContact O-N 3.42Å
290R56.2Low63.3Low208 Ų208138 Ų13879%0.78576%0.762SS**  trans-100.393.1164.6-89.4-174.9-175.3173.31.8109.7E285E285-R290 IonicContact OE2-NH2 3.74Å
291E53.6Low61.2Low179 Ų179139.6 Ų139.684%0.83677%0.767SS**  trans-106.1152.1163.8-84.8-81.9152.200109.7
292P49.8Very low58.7Low105 Ų105143.6 Ų143.668%0.68277%0.773SS**  trans-77.8138.9-166.930.2-27.3000112.2
293S60.8Low56.3Low113 Ų113141.3 Ų141.379%0.7977%0.767SS**  trans-26.4133.7177.654.50000117.1
294T43.5Very low53.8Low139 Ų139139.7 Ų139.785%0.85377%0.772SS**  trans-147.7146.2141.5360000111.2
295D52.7Low51.5Low161 Ų161134.5 Ų134.586%0.86177%0.77SS**  trans-50.2151.4-177.6-55.4-69.3000115.2
296S47.1Very low49.5Very low106 Ų106134.1 Ų134.174%0.74178%0.776SS**  154.3119.1124.6-174.90000112.9
297N51.8Low47.7Very low162 Ų162140.4 Ų140.487%0.86681%0.806SS**  trans30.6118.2140.5-66.1-15.1000120.3
298G37.9Very low46.5Very low79 Ų79139.5 Ų139.581%0.81481%0.806SS**  trans-148.5101.2162.200000111.9
299S47.3Very low45.1Very low126 Ų126141.5 Ų141.588%0.88181%0.812SS**  trans-49.7147.1177.2-174.60000114.7
300A35.3Very low43.9Very low97 Ų97144.4 Ų144.480%0.80282%0.823SS**  trans-141.9119.2159.900000112.3
301C46.9Very low43.1Very low119 Ų119138.8 Ų138.880%0.80482%0.816SS**  trans-53.8140.4174.6-161.70000112.5
302F36.7Very low42.2Very low200 Ų200138.1 Ų138.188%0.87782%0.818SS**  trans-126.6114.4168.5-133.8-90.9000111.1
303V37.5Very low41.5Very low130 Ų130141.4 Ų141.479%0.78883%0.829SS**  trans-76.9132.7168.4175.90000107.9
304G36.3Very low40.3Very low74 Ų74143.7 Ų143.776%0.76383%0.831SS**  trans-66.3166.5-163.500000117.5
305G35.7Very low39.8Very low73 Ų73146.3 Ų146.375%0.75383%0.834SS**  trans166.977.7169.700000116.2
306V37.6Very low38.8Very low128 Ų128142.1 Ų142.178%0.77683%0.828SS**  trans58.1104.3143-168.60000119.2K308V306-K308 HydrophobicContact CG1-CG 4.22Å
307M39.4Very low38.1Very low198 Ų198144.7 Ų144.798%0.97583%0.834SS**PPolyproline II helixtrans-80.7117.7157.2-115.6166-178.800109.8
308K41.6Very low37Very low180 Ų180142 Ų14278%0.78383%0.828SS**PPolyproline II helixtrans-97.8120.4166-87.6-175.6175.1-179.90109.7V306V306-K308 HydrophobicContact CG1-CG 4.22Å
309R39.5Very low36.7Very low240 Ų240143 Ų14391%0.90682%0.822SS**PPolyproline II helixtrans-61.8129.3167.3-89.3177.7166.9168.9-5.2109.9
310F35Very low36Very low215 Ų215143.9 Ų143.994%0.94382%0.822SS**  trans-87.8105.6163.6-78.7-90.8000108.6
311S38.8Very low35.7Very low91 Ų91142.6 Ų142.664%0.63682%0.818SS**  trans-136.8125.1162.647.60000106.7
312N35.3Very low35Very low164 Ų164142.1 Ų142.188%0.87782%0.816SS**  trans123.881.4172.8-60.8-9.5000112.4
313L35.2Very low34.7Very low175 Ų175141.1 Ų141.192%0.91681%0.812SS**  trans-118.793.8154.8-94.6161.4000106.7
314L35.3Very low34.2Very low161 Ų161140.4 Ų140.484%0.84381%0.808SS**  trans-176.6131.8135.7-94.7164.7000110.2
315Q34.1Very low33.8Very low194 Ų194144.5 Ų144.591%0.90781%0.812SS**  trans75.2131.1172.6-58170.49.300115.2
316G30.1Very low33.5Very low72 Ų72147.3 Ų147.374%0.74282%0.815SS**  cis155.5137.311.200000105.5
317N32Very low33.1Very low161 Ų161148.6 Ų148.686%0.86182%0.817SS**  trans-33144.3-175-62.73.8000115.2
318S30.7Very low32.5Very low105 Ų105145.5 Ų145.573%0.73480%0.804SS**  -177.6137.363.8-47.10000111.7
319S31.4Very low31.9Very low99 Ų99141.3 Ų141.369%0.69280%0.798SS**  trans38.3130.4141.1590000124.2
320T31.7Very low31.5Very low145 Ų145135.9 Ų135.989%0.8980%0.797SS**  trans67.7126.2145.758.80000118.1
321G28.7Very low31.4Very low70 Ų70133.8 Ų133.872%0.72279%0.79SS**  cis155.8132.51.500000108.8
322S32.3Very low31.4Very low109 Ų109134.5 Ų134.576%0.76279%0.792SS**  trans53.1139.8155-69.80000119.5
323K30.9Very low31.1Very low180 Ų180134.2 Ų134.278%0.78379%0.79SS**  cis-174.6139.118.6-110.9167.4-170.9-1770108.2
324T27.7Very low31Very low114 Ų114130.5 Ų130.570%0.69978%0.784SS**  trans29.6123.3137.860.90000121.4
325N27.7Very low31.1Very low160 Ų160128.6 Ų128.686%0.85678%0.782SS**  174.1157.695.4-102.1-11.7000114.2
326V29.1Very low31.2Very low133 Ų133125.3 Ų125.381%0.80678%0.777SS**  trans-98142.3-170.7174.80000112.1
327N29.1Very low31.2Very low154 Ų154128.7 Ų128.782%0.82478%0.784SS**  trans-171.9109.9141.5-127.821.8000108.1
328D27.2Very low31.3Very low133 Ų133125.5 Ų125.571%0.71178%0.779SS**  92.1138.182.1-168.943000114.8
329S28.2Very low31.4Very low93 Ų93128.2 Ų128.265%0.6579%0.786SS**  trans101.7122.3158.4-73.20000121.2
330S31.5Very low31.5Very low125 Ų125130.1 Ų130.187%0.87479%0.793SS**  trans105.299.6151.168.30000120.8
331Q31.8Very low31.7Very low172 Ų172128.5 Ų128.580%0.80479%0.788SS**  trans-67.8179.2157.2-94.5-176.7-18.600112.5
332P39.9Very low32.3Very low106 Ų106133 Ų13369%0.68880%0.796SS**  cis-141.3153.712.121.65.2000119.9
333L28.7Very low32.5Very low157 Ų157130.9 Ų130.982%0.82279%0.791SS**  56.7117.8129.2-63.2158.4000124.1
334A32.2Very low33.2Very low97 Ų97129.4 Ų129.480%0.80280%0.797SS**  -160.2161.3127.400000110.4
335P38.8Very low34.2Very low122 Ų122132.3 Ų132.379%0.79280%0.796SS**  trans-92162-135.536.3-38.4000117.2
336P34.8Very low35Very low125 Ų125128.7 Ų128.781%0.81279%0.789SS**  trans-97.4137.5-179.336.3-28.2000112.4
337T31.8Very low35.7Very low143 Ų143127.6 Ų127.688%0.87779%0.787SS**  trans-138.4134.6159.944.70000111.3
338A32.6Very low36.6Very low93 Ų93127.4 Ų127.477%0.76978%0.784SS**  trans83.991.715800000118.5
339N33.6Very low37.5Very low162 Ų162126.4 Ų126.487%0.86679%0.785SS**  22.2104.5127.1-65.6-6.6000116.9S341N339-S341 PolarHBondContact O-N 3.09Å
340T33.2Very low37.9Very low139 Ų139124.5 Ų124.585%0.85378%0.78SS**  trans-62.7105.4155.141.90000109.8
341S35.7Very low38.3Very low112 Ų112129.1 Ų129.178%0.78379%0.785SS**  trans-90.5115.6152.970.10000107.8N339 G343N339-S341 PolarHBondContact O-N 3.09Å; S341-G343 PolarHBondContact O-N 2.97Å
342D42.3Very low38.3Very low164 Ų164128.6 Ų128.688%0.87778%0.783SS**  trans-62.794.9168.5-82.4-34.9000109.4
343G35.8Very low38.3Very low65 Ų65132.6 Ų132.667%0.6779%0.792SS**  trans-109.593.7167.200000108.6S341 Y345S341-G343 PolarHBondContact O-N 2.97Å; G343-Y345 PolarHBondContact O-N 3.27Å
344V46.2Very low38.4Very low149 Ų149130.8 Ų130.890%0.90379%0.787SS**  trans-77.279.2168.8-176.70000107.5
345Y47.5Very low38.5Very low174 Ų174134.7 Ų134.768%0.68279%0.789SS**  trans-87.5128.3162.4-146.1-94.7000107.3G343 S347G343-Y345 PolarHBondContact O-N 3.27Å; Y345-S347 PolarHBondContact O-N 3.46Å
346A44.9Very low38.3Very low85 Ų85133.8 Ų133.870%0.70278%0.783SS**  trans-59.8109.1169.600000107.5I348A346-I348 PolarHBondContact O-N 3.15Å; A346-I348 VanDerWaalsContact O-N 3.12Å
347S43.8Very low38.1Very low110 Ų110134.6 Ų134.677%0.76979%0.785SS**  trans-64.7114.3167.7-60.70000106.3Y345Y345-S347 PolarHBondContact O-N 3.46Å
348I47.5Very low38.2Very low149 Ų149133.6 Ų133.676%0.76477%0.773SS**  trans-52.4126.5156.6-61.5175.3000104A346 G350A346-I348 PolarHBondContact O-N 3.15Å; A346-I348 VanDerWaalsContact O-N 3.12Å; I348-G350 VanDerWaalsContact C-N 3.34Å; I348-G350 PolarHBondContact O-N 3.41Å
349P45.9Very low38.2Very low113 Ų113134.6 Ų134.673%0.73478%0.775SS**  trans-52.1109.8171.5-20.730.3000105.9
350G37.3Very low38.9Very low52 Ų52135.4 Ų135.454%0.53677%0.773SS.*  trans-51.8149.4160.800000105.8I348 Q352I348-G350 VanDerWaalsContact C-N 3.34Å; I348-G350 PolarHBondContact O-N 3.41Å; G350-Q352 PolarHBondContact O-N 3.29Å
351F40.8Very low39.5Very low222 Ų222133.6 Ų133.697%0.97477%0.766SS**  trans-58.278.9159.6-80.6-93.4000107.5Q353F351-Q353 PolarHBondContact O-N 3.4Å
352Q30.9Very low41.1Very low162 Ų162135.6 Ų135.676%0.75776%0.757SS**  trans-65.2117.3158.4-80.6179.8-3300103G350 V354G350-Q352 PolarHBondContact O-N 3.29Å; Q352-V354 WeakPolarHBondContact O-CG2 3.45Å; Q352-V354 PolarHBondContact O-N 3.17Å
353Q39.5Very low42.9Very low190 Ų190131.4 Ų131.489%0.88873%0.732SS**  trans-51.4101.3153.1-75.4178.1-23.100105.5F351 Q355F351-Q353 PolarHBondContact O-N 3.4Å; Q353-Q355 VanDerWaalsContact C-N 3.34Å; Q353-Q355 PolarHBondContact O-N 3.2Å
354V30.5Very low45.5Very low118 Ų118133.9 Ų133.972%0.71573%0.726SS**  trans-68.4100.6179.8-169.90000104.6Q352 P356Q352-V354 WeakPolarHBondContact O-CG2 3.45Å; Q352-V354 PolarHBondContact O-N 3.17Å; V354-P356 VanDerWaalsContact O-CD 3.23Å; V354-P356 WeakPolarHBondContact O-CD 3.45Å
355Q34.4Very low47.8Very low180 Ų180127.8 Ų127.884%0.84169%0.687SS**  trans-67.3115.4154-83.2-174-12.600105.8Q353 T357Q353-Q355 VanDerWaalsContact C-N 3.34Å; Q353-Q355 PolarHBondContact O-N 3.2Å; Q355-T357 PolarHBondContact O-N 2.85Å
356P35Very low49.9Very low102 Ų102122.9 Ų122.966%0.66267%0.671SS**  trans-73117.2179.9-10.527.1000108.5V354 I358V354-P356 VanDerWaalsContact O-CD 3.23Å; V354-P356 WeakPolarHBondContact O-CD 3.45Å; P356-I358 PolarHBondContact O-N 3.02Å; P356-I358 VanDerWaalsContact O-N 3.09Å
357T31.1Very low52.2Low142 Ų142118.9 Ų118.987%0.87164%0.638SS**  trans-65.1101.7152.943.20000107.5Q355 S359Q355-T357 PolarHBondContact O-N 2.85Å; T357-S359 PolarHBondContact O-N 2.99Å
358I34.2Very low54.4Low122 Ų122117.5 Ų117.563%0.62662%0.621SS**  trans-65.3119.2178.2-65.2166.9000109.5P356P356-I358 PolarHBondContact O-N 3.02Å; P356-I358 VanDerWaalsContact O-N 3.09Å
359S32.8Very low56.4Low114 Ų114117 Ų11780%0.79761%0.611SS**  trans-114.690.2150.761.60000108.2T357T357-S359 PolarHBondContact O-N 2.99Å
360E47.1Very low58.6Low179 Ų179116.7 Ų116.784%0.83660%0.602SS**SBendtrans1798.4153.1-63.2176.2160.800119.6
361S46.3Very low61.2Low101 Ų101115.4 Ų115.471%0.70658%0.582SS**  trans-149.781.1133.264.50000108.9E363S361-E363 PolarHBondContact O-N 3.38Å
362R68.9Low63.6Low154 Ų154108 Ų10858%0.58156%0.562SS**  trans-75108.4174.7-75.4178.4-179.5-157.9-6.7108.1V388R362-V388 HydrophobicContact CB-CG1 3.65Å; R362-V388 HydrophobicContact CG-CG1 3.9Å
363E81Confident66.5Low77 Ų77102 Ų10236%0.3654%0.54SS..EExtended strand (participates in β ladder)trans-92.5127.7177.6-61-165.1149.300109.9S361 Y365 V389 K416S361-E363 PolarHBondContact O-N 3.38Å; E363-Y365 HydrophobicContact CB-CD2 4.34Å; E363-Y365 HydrophobicContact CB-CE2 3.77Å; E363-V389 PolarHBondContact O-N 2.58Å; E363-V389 VanDerWaalsContact O-N 3.14Å; E363-K416 IonicContact OE1-NZ 3.82Å; E363-K416 PolarHBondContact OE1-NZ 3.2Å; E363-K416 IonicContact OE2-NZ 2.72Å; E363-K416 PolarHBondContact OE2-NZ 3.38Å
364E90.6Very high68.7Low117 Ų117101.3 Ų101.355%0.54754%0.537SS..EExtended strand (participates in β ladder)trans-86.1137.7177.8-71.4177.9-168.200110.6T386 V388E364-T386 HydrophobicContact CB-CG2 3.94Å; E364-T386 HydrophobicContact CG-CG2 4.27Å; E364-V388 HydrophobicContact CG-CG2 4.13Å
365Y93.1Very high71.1Confident20 Ų2097.1 Ų97.18%0.07852%0.517CS..EExtended strand (participates in β ladder)trans-132.6145.7-179-79-109.4000109.8E363 T386 V387 V389 W398 L414 A415 K416E363-Y365 HydrophobicContact CB-CD2 4.34Å; E363-Y365 HydrophobicContact CB-CE2 3.77Å; Y365-T386 CarbonylContact O-C 3.6Å; Y365-T386 WeakPolarHBondContact O-CA 3.42Å; Y365-V387 PolarHBondContact N-O 3.37Å; Y365-V387 PolarHBondContact O-N 3.23Å; Y365-V389 HydrophobicContact CD1-CG2 4.36Å; Y365-V389 HydrophobicContact CD2-CB 4.07Å; Y365-V389 HydrophobicContact CD2-CG2 3.34Å; Y365-V389 HydrophobicContact CE2-CB 4.18Å; Y365-V389 HydrophobicContact CE2-CG2 3.79Å; Y365-V389 HydrophobicContact CG-CG2 3.68Å; Y365-W398 HydrophobicContact CD1-CZ3 4.13Å; Y365-W398 HydrophobicContact CE1-CH2 4.33Å; Y365-W398 AromaticContact CE1-CZ3 3.76Å; Y365-W398 HydrophobicContact CE1-CZ3 3.76Å; Y365-L414 HydrophobicContact CD1-CB 3.97Å; Y365-L414 HydrophobicContact CG-CB 4.45Å; Y365-A415 CarbonylContact C-O 3.54Å; Y365-A415 WeakPolarHBondContact CA-O 3.19Å; Y365-A415 VanDerWaalsContact CD1-C 3.46Å; Y365-K416 HydrophobicContact CD1-CB 4.14Å; Y365-K416 HydrophobicContact CE1-CB 3.71Å; Y365-K416 HydrophobicContact CE1-CG 4.35Å
366Q92.9Very high73.4Confident72 Ų7298.6 Ų98.634%0.33652%0.524SS..EExtended strand (participates in β ladder)trans-100.9132.7176.1-166.5174.43200111L368 G384 E385 A415Q366-L368 PolarHBondContact O-N 3.4Å; Q366-G384 PolarHBondContact NE2-O 3.38Å; Q366-E385 CarbonylContact C-O 3.59Å; Q366-E385 WeakPolarHBondContact CA-O 3.5Å; Q366-A415 PolarHBondContact N-O 3.28Å; Q366-A415 PolarHBondContact O-N 3.45Å
367A91.9Very high76.1Confident1 Ų198.6 Ų98.61%0.00852%0.519CS..EExtended strand (participates in β ladder)trans-67.8124.317200000110.6M381 F382 A383 G384 E385 Y413 L414A367-M381 HydrophobicContact CB-CB 4.26Å; A367-M381 HydrophobicContact CB-CG 4.24Å; A367-M381 HydrophobicContact CB-SD 3.58Å; A367-M381 VanDerWaalsContact CB-SD 3.58Å; A367-F382 WeakPolarHBondContact CB-O 3.46Å; A367-A383 CarbonylContact O-C 3.47Å; A367-G384 PolarHBondContact O-N 3.42Å; A367-E385 HydrophobicContact CB-CB 4.47Å; A367-E385 PolarHBondContact N-O 2.87Å; A367-Y413 CarbonylContact C-O 3.56Å; A367-Y413 WeakPolarHBondContact CA-O 3.41Å; A367-L414 HydrophobicContact CB-CD2 4.4Å
368L90.8Very high78.9Confident81 Ų8193.8 Ų93.842%0.42449%0.486SS..SBendtrans-83.1-24.9178.8-65.4178.5000112.7Q366 Y413 A415Q366-L368 PolarHBondContact O-N 3.4Å; L368-Y413 PolarHBondContact N-O 2.8Å; L368-A415 HydrophobicContact CD1-CB 4.03Å; L368-A415 HydrophobicContact CD2-CB 3.67Å; L368-A415 HydrophobicContact CG-CB 3.91Å
369Y89.7Confident81.7Confident139 Ų13988.6 Ų88.655%0.54546%0.46SS..SBendtrans-142.3155.6-174.6-50.7-76.5000110.6Y413Y369-Y413 HydrophobicContact CD2-CD1 4.41Å; Y369-Y413 HydrophobicContact CD2-CD2 4.05Å; Y369-Y413 HydrophobicContact CD2-CE2 4.33Å; Y369-Y413 HydrophobicContact CD2-CG 4.07Å; Y369-Y413 HydrophobicContact CG-CD2 4.32Å; Y369-Y413 HydrophobicContact CG-CE2 4.41Å
370D90.7Very high84.5Confident105 Ų10585.4 Ų85.456%0.56144%0.437SS*.  trans-66.9137.4169.4-61.8-19.8000109.8M381 F382 A383D370-M381 WeakPolarHBondContact CA-O 3.5Å; D370-F382 VanDerWaalsContact OD1-CA 3.3Å; D370-F382 WeakPolarHBondContact OD1-CA 3.47Å; D370-A383 PolarHBondContact OD1-N 3.09Å
371Y92.3Very high86.7Confident25 Ų2577 Ų7710%0.09840%0.398CS..BIsolated β-bridgetrans-139.6127.4173.4170.2-98.9000109.9E378 L379 S380 M381 W397 P410Y371-E378 PolarHBondContact OH-OE1 2.93Å; Y371-E378 PolarHBondContact OH-OE2 3.49Å; Y371-L379 WeakPolarHBondContact CD1-O 3.38Å; Y371-S380 CarbonylContact O-C 3.6Å; Y371-S380 WeakPolarHBondContact O-CA 3.3Å; Y371-M381 HydrophobicContact CD1-CG 4.42Å; Y371-M381 PolarHBondContact N-O 3.45Å; Y371-M381 PolarHBondContact O-N 3.35Å; Y371-M381 VanDerWaalsContact O-O 3.14Å; Y371-W397 HydrophobicContact CE1-CZ3 4.41Å; Y371-W397 HydrophobicContact CE2-CH2 4.34Å; Y371-W397 HydrophobicContact CE2-CZ3 4.48Å; Y371-W397 AromaticContact CZ-CH2 3.98Å; Y371-W397 AromaticContact CZ-CZ3 3.8Å; Y371-W397 WeakPolarHBondContact OH-CH2 3.36Å; Y371-W397 WeakPolarHBondContact OH-CZ3 3.32Å; Y371-P410 HydrophobicContact CD2-CG 3.9Å; Y371-P410 HydrophobicContact CE2-CG 3.8Å; Y371-P410 HydrophobicContact CG-CG 4.36Å
372A91.7Very high88.8Confident68 Ų6878.6 Ų78.656%0.56239%0.392SS*.  trans-103.4125.417800000109.3Q374A372-Q374 PolarHBondContact O-N 3.42Å
373A90.9Very high89.9Confident36 Ų3673.9 Ų73.930%0.29839%0.386SS..  trans-59.1131.7176.300000110.6E378 S380A373-E378 HydrophobicContact CB-CB 3.72Å; A373-E378 WeakPolarHBondContact CB-O 3.34Å; A373-S380 WeakPolarHBondContact CB-OG 3.42Å; A373-S380 PolarHBondContact N-OG 3.13Å
374Q86.5Confident90.2Very high175 Ų17572.1 Ų72.182%0.81839%0.389SS*.  trans-108.5-22.3177.9-55.6-177.214.400111.4A372 E378A372-Q374 PolarHBondContact O-N 3.42Å; Q374-E378 WeakPolarHBondContact CA-OE2 3.42Å; Q374-E378 WeakPolarHBondContact CB-OE2 3.34Å; Q374-E378 PolarHBondContact N-OE2 3.01Å
375G82.2Confident90.2Very high30 Ų3069 Ų6931%0.30937%0.374SS..SBendtrans-108.2168.617400000114.2D377 E378G375-D377 VanDerWaalsContact C-N 3.29Å; G375-E378 PolarHBondContact N-OE2 3.48Å
376E82.7Confident90.1Very high211 Ų21170.9 Ų70.999%0.98639%0.389SS*.SBendtrans-76.1-18.6176-65.8-172.716600112.9
377D89.7Confident90.1Very high101 Ų10167.6 Ų67.654%0.5437%0.373SS..SBendtrans-95.9-5.8178.554.3-28.8000113.4G375 G407 L408G375-D377 VanDerWaalsContact C-N 3.29Å; D377-G407 CarbonylContact O-C 3.55Å; D377-G407 VanDerWaalsContact O-CA 3.31Å; D377-G407 WeakPolarHBondContact O-CA 3.5Å; D377-L408 HydrophobicContact CB-CD1 4.45Å; D377-L408 PolarHBondContact O-N 2.93Å
378E91.9Very high90.1Very high41 Ų4169 Ų6919%0.19238%0.381CS..BIsolated β-bridgetrans-95.5151.2-178.5-66.3176.3176.600112.3Y371 A373 Q374 G375 W397 L408Y371-E378 PolarHBondContact OH-OE1 2.93Å; Y371-E378 PolarHBondContact OH-OE2 3.49Å; A373-E378 HydrophobicContact CB-CB 3.72Å; A373-E378 WeakPolarHBondContact CB-O 3.34Å; Q374-E378 WeakPolarHBondContact CA-OE2 3.42Å; Q374-E378 WeakPolarHBondContact CB-OE2 3.34Å; Q374-E378 PolarHBondContact N-OE2 3.01Å; G375-E378 PolarHBondContact N-OE2 3.48Å; E378-W397 HydrophobicContact CG-CZ3 4.25Å; E378-W397 WeakPolarHBondContact OE1-CH2 3.35Å; E378-L408 VanDerWaalsContact CA-O 3.32Å; E378-L408 WeakPolarHBondContact CA-O 3.41Å; E378-L408 HydrophobicContact CG-CB 4.36Å
379L91.9Very high90.2Very high14 Ų1465.8 Ų65.87%0.07337%0.365CS..  trans-113.5131.9178.6-170.368.8000111.6Y371 V400 R402 I405 L408 V409Y371-L379 WeakPolarHBondContact CD1-O 3.38Å; L379-V400 HydrophobicContact CD2-CG2 4.03Å; L379-R402 HydrophobicContact CD2-CB 4.06Å; L379-I405 HydrophobicContact CD1-CG2 3.83Å; L379-L408 PolarHBondContact N-O 3.23Å; L379-V409 HydrophobicContact CB-CG1 3.99Å; L379-V409 WeakPolarHBondContact O-CG1 3.29Å
380S91.3Very high90.2Very high46 Ų4663.5 Ų63.532%0.32236%0.362SS..  trans-79.4133.1173.6-56.50000111.5Y371 A373 R402Y371-S380 CarbonylContact O-C 3.6Å; Y371-S380 WeakPolarHBondContact O-CA 3.3Å; A373-S380 WeakPolarHBondContact CB-OG 3.42Å; A373-S380 PolarHBondContact N-OG 3.13Å; S380-R402 PolarHBondContact O-NH1 2.68Å; S380-R402 PolarHBondContact O-NH2 3.41Å
381M93.3Very high90.1Very high3 Ų363.8 Ų63.82%0.01536%0.359CS..BIsolated β-bridgetrans-127.9154.7178.161.3172.767.100111.7A367 D370 Y371 E385 V409 L414A367-M381 HydrophobicContact CB-CB 4.26Å; A367-M381 HydrophobicContact CB-CG 4.24Å; A367-M381 HydrophobicContact CB-SD 3.58Å; A367-M381 VanDerWaalsContact CB-SD 3.58Å; D370-M381 WeakPolarHBondContact CA-O 3.5Å; Y371-M381 HydrophobicContact CD1-CG 4.42Å; Y371-M381 PolarHBondContact N-O 3.45Å; Y371-M381 PolarHBondContact O-N 3.35Å; Y371-M381 VanDerWaalsContact O-O 3.14Å; M381-E385 WeakPolarHBondContact CA-OE2 3.47Å; M381-V409 HydrophobicContact CE-CB 3.19Å; M381-V409 HydrophobicContact CE-CG1 3.23Å; M381-V409 HydrophobicContact CE-CG2 3.48Å; M381-V409 VanDerWaalsContact CE-CG2 3.48Å; M381-L414 HydrophobicContact CE-CD2 3.99Å; M381-L414 HydrophobicContact SD-CD2 4.3Å
382F91.1Very high90Very high134 Ų13467.5 Ų67.559%0.58838%0.378SS*.  trans-111.7148.1171.1-60.4-78.7000111.2A367 D370 G384 E385A367-F382 WeakPolarHBondContact CB-O 3.46Å; D370-F382 VanDerWaalsContact OD1-CA 3.3Å; D370-F382 WeakPolarHBondContact OD1-CA 3.47Å; F382-G384 PolarHBondContact O-N 3.23Å; F382-E385 PolarHBondContact N-OE2 2.97Å; F382-E385 WeakPolarHBondContact O-CB 3.38Å; F382-E385 PolarHBondContact O-N 3.44Å
383A91.3Very high89.6Confident55 Ų5567 Ų6746%0.45537%0.366SS..THydrogen-bonded Turntrans-56.5129.717500000110.6A367 D370A367-A383 CarbonylContact O-C 3.47Å; D370-A383 PolarHBondContact OD1-N 3.09Å
384G87Confident89.1Confident41 Ų4175 Ų7542%0.42340%0.399SS..THydrogen-bonded Turntrans92.8-6.5-175.500000114.7Q366 A367 F382Q366-G384 PolarHBondContact NE2-O 3.38Å; A367-G384 PolarHBondContact O-N 3.42Å; F382-G384 PolarHBondContact O-N 3.23Å
385E91Very high88.9Confident50 Ų5072.1 Ų72.123%0.23439%0.39CS..  trans-79.5137-178.4-167.4168.2-157.900112.4Q366 A367 M381 F382 R402Q366-E385 CarbonylContact C-O 3.59Å; Q366-E385 WeakPolarHBondContact CA-O 3.5Å; A367-E385 HydrophobicContact CB-CB 4.47Å; A367-E385 PolarHBondContact N-O 2.87Å; M381-E385 WeakPolarHBondContact CA-OE2 3.47Å; F382-E385 PolarHBondContact N-OE2 2.97Å; F382-E385 WeakPolarHBondContact O-CB 3.38Å; F382-E385 PolarHBondContact O-N 3.44Å; E385-R402 WeakPolarHBondContact OE1-CD 3.42Å; E385-R402 IonicContact OE1-CZ 3.17Å; E385-R402 IonicContact OE1-NE 2.73Å; E385-R402 IonicContact OE1-NH1 2.77Å; E385-R402 PolarHBondContact OE1-NH1 3.07Å; E385-R402 IonicContact OE2-NH1 2.71Å; E385-R402 PolarHBondContact OE2-NH1 2.83Å
386T91.6Very high89.1Confident61 Ų6172.4 Ų72.437%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-91.3131.7178.7-51.80000111E364 Y365E364-T386 HydrophobicContact CB-CG2 3.94Å; E364-T386 HydrophobicContact CG-CG2 4.27Å; Y365-T386 CarbonylContact O-C 3.6Å; Y365-T386 WeakPolarHBondContact O-CA 3.42Å
387V92.3Very high89.5Confident3 Ų366.2 Ų66.22%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-131.3152.7177.2-59.40000110.4Y365 V400 R402 L414Y365-V387 PolarHBondContact N-O 3.37Å; Y365-V387 PolarHBondContact O-N 3.23Å; V387-V400 HydrophobicContact CB-CB 4.02Å; V387-V400 HydrophobicContact CB-CG1 4.46Å; V387-V400 HydrophobicContact CB-CG2 4.24Å; V387-V400 HydrophobicContact CG1-CG2 4.47Å; V387-V400 HydrophobicContact CG2-CB 3.99Å; V387-V400 HydrophobicContact CG2-CG1 3.88Å; V387-V400 HydrophobicContact CG2-CG2 4.32Å; V387-R402 HydrophobicContact CG1-CB 4.3Å; V387-L414 HydrophobicContact CG2-CD1 4.24Å; V387-L414 HydrophobicContact CG2-CD2 3.6Å
388V92.9Very high89.7Confident29 Ų2963.5 Ų63.518%0.17634%0.343CS..EExtended strand (participates in β ladder)trans-97.9122.9176177.70000108.8R362 E364 I390 V400 E401R362-V388 HydrophobicContact CB-CG1 3.65Å; R362-V388 HydrophobicContact CG-CG1 3.9Å; E364-V388 HydrophobicContact CG-CG2 4.13Å; V388-I390 PolarHBondContact O-N 3.11Å; V388-V400 CarbonylContact O-C 3.49Å; V388-V400 WeakPolarHBondContact O-CA 3.32Å; V388-E401 PolarHBondContact N-O 3.28Å; V388-E401 PolarHBondContact O-N 2.97Å
389V91.9Very high89.7Confident14 Ų1463 Ų639%0.08534%0.342CS..EExtended strand (participates in β ladder)trans-78.9121.4176.7178.90000109.4E363 Y365 Q392 W398 V400 L414E363-V389 PolarHBondContact O-N 2.58Å; E363-V389 VanDerWaalsContact O-N 3.14Å; Y365-V389 HydrophobicContact CD1-CG2 4.36Å; Y365-V389 HydrophobicContact CD2-CB 4.07Å; Y365-V389 HydrophobicContact CD2-CG2 3.34Å; Y365-V389 HydrophobicContact CE2-CB 4.18Å; Y365-V389 HydrophobicContact CE2-CG2 3.79Å; Y365-V389 HydrophobicContact CG-CG2 3.68Å; V389-Q392 HydrophobicContact CG1-CG 3.66Å; V389-W398 HydrophobicContact CG1-CE3 4.1Å; V389-W398 HydrophobicContact CG2-CE3 3.94Å; V389-W398 HydrophobicContact CG2-CZ3 4.34Å; V389-V400 HydrophobicContact CG2-CG1 4.03Å; V389-L414 HydrophobicContact CG2-CD1 4.09Å
390I90.1Very high89.8Confident92 Ų9262.3 Ų62.347%0.47234%0.338SS..EExtended strand (participates in β ladder)trans-92.7-45176.2-60.4168.1000110.2V388 T399 E401V388-I390 PolarHBondContact O-N 3.11Å; I390-T399 HydrophobicContact CB-CG2 4.31Å; I390-T399 HydrophobicContact CD1-CG2 4.28Å; I390-T399 PolarHBondContact N-O 2.98Å; I390-E401 HydrophobicContact CD1-CB 3.62Å; I390-E401 HydrophobicContact CG1-CB 4.16Å
391E89Confident89.8Confident110 Ų11062.5 Ų62.551%0.51433%0.334SS..EExtended strand (participates in β ladder)trans-145.8139.9-174-169.3164.3-158.300110.8W398 T399E391-W398 CarbonylContact O-C 3.56Å; E391-W398 WeakPolarHBondContact O-CA 3.37Å; E391-T399 PolarHBondContact N-O 3.04Å; E391-T399 PolarHBondContact O-N 3.47Å
392Q89.8Confident89.6Confident103 Ų10364.6 Ų64.648%0.48134%0.342SS..EExtended strand (participates in β ladder)trans-116.5100.5177.7-62.4-178.722.300108.8V389 W398V389-Q392 HydrophobicContact CG1-CG 3.66Å; Q392-W398 HydrophobicContact CB-CD2 4.28Å; Q392-W398 HydrophobicContact CB-CG 4.31Å; Q392-W398 HydrophobicContact CG-CD2 3.75Å; Q392-W398 HydrophobicContact CG-CE3 4.03Å; Q392-W398 HydrophobicContact CG-CG 4.13Å; Q392-W398 HydrophobicContact CG-CH2 4.44Å; Q392-W398 HydrophobicContact CG-CZ2 4.16Å; Q392-W398 HydrophobicContact CG-CZ3 4.38Å
393D82.5Confident89.1Confident59 Ų5965.5 Ų65.532%0.31635%0.353SS..  trans-80153.5178.6-65.5-59.5000112.2D395 G396 W397D393-D395 WeakPolarHBondContact CB-OD1 3.25Å; D393-D395 PolarHBondContact O-N 3.4Å; D393-G396 PolarHBondContact O-N 2.87Å; D393-W397 VanDerWaalsContact CB-O 3.32Å; D393-W397 WeakPolarHBondContact CB-O 3.36Å; D393-W397 PolarHBondContact N-O 3.31Å
394M80.7Confident88.5Confident203 Ų20365.7 Ų65.7100%136%0.361SS*.THydrogen-bonded Turntrans-72.1-11.2-179.4-66.4-170.567.600113.7G396M394-G396 VanDerWaalsContact C-N 3.32Å
395D83.5Confident88.4Confident115 Ų11568.7 Ų68.762%0.61537%0.366SS*.THydrogen-bonded Turntrans-85-6178.567.11.8000113.2D393 W397D393-D395 WeakPolarHBondContact CB-OD1 3.25Å; D393-D395 PolarHBondContact O-N 3.4Å; D395-W397 PolarHBondContact OD1-N 2.88Å
396G84.8Confident88.4Confident36 Ų3669.4 Ų69.437%0.37138%0.376SS..SBendtrans941.9178.200000114.8D393 M394 G411D393-G396 PolarHBondContact O-N 2.87Å; M394-G396 VanDerWaalsContact C-N 3.32Å; G396-G411 PolarHBondContact O-N 3.5Å
397W91.8Very high88.5Confident81 Ų8166.9 Ų66.931%0.30736%0.362SS..EExtended strand (participates in β ladder)trans-97.8127.4171.8-6891.5000110.1Y371 E378 D393 D395 L408 V409 P410Y371-W397 HydrophobicContact CE1-CZ3 4.41Å; Y371-W397 HydrophobicContact CE2-CH2 4.34Å; Y371-W397 HydrophobicContact CE2-CZ3 4.48Å; Y371-W397 AromaticContact CZ-CH2 3.98Å; Y371-W397 AromaticContact CZ-CZ3 3.8Å; Y371-W397 WeakPolarHBondContact OH-CH2 3.36Å; Y371-W397 WeakPolarHBondContact OH-CZ3 3.32Å; E378-W397 HydrophobicContact CG-CZ3 4.25Å; E378-W397 WeakPolarHBondContact OE1-CH2 3.35Å; D393-W397 VanDerWaalsContact CB-O 3.32Å; D393-W397 WeakPolarHBondContact CB-O 3.36Å; D393-W397 PolarHBondContact N-O 3.31Å; D395-W397 PolarHBondContact OD1-N 2.88Å; W397-L408 HydrophobicContact CB-CD2 4.26Å; W397-L408 HydrophobicContact CE3-CB 4.15Å; W397-V409 WeakPolarHBondContact CA-O 3.28Å; W397-P410 HydrophobicContact CE3-CG 4.42Å; W397-P410 HydrophobicContact CH2-CG 4.16Å; W397-P410 HydrophobicContact CZ3-CG 3.93Å
398W93.7Very high88.5Confident44 Ų4468.5 Ų68.517%0.16737%0.371CS..EExtended strand (participates in β ladder)trans-111137.4-178.7-663.7000109Y365 V389 E391 Q392 L408 V409 G411 L414Y365-W398 HydrophobicContact CD1-CZ3 4.13Å; Y365-W398 HydrophobicContact CE1-CH2 4.33Å; Y365-W398 AromaticContact CE1-CZ3 3.76Å; Y365-W398 HydrophobicContact CE1-CZ3 3.76Å; V389-W398 HydrophobicContact CG1-CE3 4.1Å; V389-W398 HydrophobicContact CG2-CE3 3.94Å; V389-W398 HydrophobicContact CG2-CZ3 4.34Å; E391-W398 CarbonylContact O-C 3.56Å; E391-W398 WeakPolarHBondContact O-CA 3.37Å; Q392-W398 HydrophobicContact CB-CD2 4.28Å; Q392-W398 HydrophobicContact CB-CG 4.31Å; Q392-W398 HydrophobicContact CG-CD2 3.75Å; Q392-W398 HydrophobicContact CG-CE3 4.03Å; Q392-W398 HydrophobicContact CG-CG 4.13Å; Q392-W398 HydrophobicContact CG-CH2 4.44Å; Q392-W398 HydrophobicContact CG-CZ2 4.16Å; Q392-W398 HydrophobicContact CG-CZ3 4.38Å; W398-L408 WeakPolarHBondContact O-CA 3.19Å; W398-V409 PolarHBondContact N-O 2.9Å; W398-V409 PolarHBondContact O-N 2.99Å; W398-G411 VanDerWaalsContact CD2-CA 3.42Å; W398-L414 HydrophobicContact CE3-CB 4.49Å; W398-L414 HydrophobicContact CE3-CD1 3.79Å; W398-L414 HydrophobicContact CZ3-CB 4.35Å; W398-L414 HydrophobicContact CZ3-CD1 4.42Å
399T92.6Very high88.5Confident29 Ų2967.1 Ų67.118%0.17836%0.362CS..EExtended strand (participates in β ladder)trans-83.2120.1172.3-610000108.4I390 E391 L408I390-T399 HydrophobicContact CB-CG2 4.31Å; I390-T399 HydrophobicContact CD1-CG2 4.28Å; I390-T399 PolarHBondContact N-O 2.98Å; E391-T399 PolarHBondContact N-O 3.04Å; E391-T399 PolarHBondContact O-N 3.47Å; T399-L408 WeakPolarHBondContact OG1-CD2 3.37Å
400V93.1Very high88.6Confident0 Ų067.3 Ų67.30%036%0.364CS..EExtended strand (participates in β ladder)trans-120.7152.5178.5-59.70000111.4L379 V387 V388 V389 S406 G407 V409 L414L379-V400 HydrophobicContact CD2-CG2 4.03Å; V387-V400 HydrophobicContact CB-CB 4.02Å; V387-V400 HydrophobicContact CB-CG1 4.46Å; V387-V400 HydrophobicContact CB-CG2 4.24Å; V387-V400 HydrophobicContact CG1-CG2 4.47Å; V387-V400 HydrophobicContact CG2-CB 3.99Å; V387-V400 HydrophobicContact CG2-CG1 3.88Å; V387-V400 HydrophobicContact CG2-CG2 4.32Å; V388-V400 CarbonylContact O-C 3.49Å; V388-V400 WeakPolarHBondContact O-CA 3.32Å; V389-V400 HydrophobicContact CG2-CG1 4.03Å; V400-S406 CarbonylContact O-C 3.56Å; V400-S406 WeakPolarHBondContact O-CA 3.36Å; V400-G407 PolarHBondContact N-O 3.19Å; V400-G407 PolarHBondContact O-N 3.34Å; V400-V409 HydrophobicContact CB-CG2 4.27Å; V400-V409 HydrophobicContact CG1-CG2 3.59Å; V400-V409 HydrophobicContact CG2-CB 4.32Å; V400-V409 HydrophobicContact CG2-CG1 3.64Å; V400-V409 HydrophobicContact CG2-CG2 3.65Å; V400-L414 HydrophobicContact CG1-CD1 3.73Å
401E91.9Very high88.6Confident50 Ų5063.1 Ų63.123%0.23434%0.344CS..EExtended strand (participates in β ladder)trans-113.4131.5171.9-172.3-176.6141.700110.5V388 I390 I405V388-E401 PolarHBondContact N-O 3.28Å; V388-E401 PolarHBondContact O-N 2.97Å; I390-E401 HydrophobicContact CD1-CB 3.62Å; I390-E401 HydrophobicContact CG1-CB 4.16Å; E401-I405 WeakPolarHBondContact CA-O 3.46Å
402R88.3Confident88.7Confident48 Ų4862.3 Ų62.318%0.18135%0.35CS..EExtended strand (participates in β ladder)trans-133.7122.5170.8-176.8-166.357.5-162.3-14.1109.5L379 S380 E385 V387 G404 I405L379-R402 HydrophobicContact CD2-CB 4.06Å; S380-R402 PolarHBondContact O-NH1 2.68Å; S380-R402 PolarHBondContact O-NH2 3.41Å; E385-R402 WeakPolarHBondContact OE1-CD 3.42Å; E385-R402 IonicContact OE1-CZ 3.17Å; E385-R402 IonicContact OE1-NE 2.73Å; E385-R402 IonicContact OE1-NH1 2.77Å; E385-R402 PolarHBondContact OE1-NH1 3.07Å; E385-R402 IonicContact OE2-NH1 2.71Å; E385-R402 PolarHBondContact OE2-NH1 2.83Å; V387-R402 HydrophobicContact CG1-CB 4.3Å; R402-G404 PolarHBondContact O-N 3.46Å; R402-I405 PolarHBondContact N-O 2.97Å; R402-I405 PolarHBondContact O-N 3.19Å
403N80.9Confident88.8Confident153 Ų15361.2 Ų61.282%0.81834%0.342SS*.THydrogen-bonded Turntrans52.935.7178-60.9-35.6000113.6I405N403-I405 VanDerWaalsContact C-N 3.28Å; N403-I405 PolarHBondContact O-N 2.91Å
404G80.4Confident89.2Confident59 Ų5959.1 Ų59.161%0.60833%0.331SS*.THydrogen-bonded Turntrans77.46.2-178.200000115.1R402R402-G404 PolarHBondContact O-N 3.46Å
405I84.1Confident89.6Confident103 Ų10351 Ų5153%0.52830%0.296SS..EExtended strand (participates in β ladder)trans-105.6124.1172.2-55.5175.4000107.8L379 E401 R402 N403L379-I405 HydrophobicContact CD1-CG2 3.83Å; E401-I405 WeakPolarHBondContact CA-O 3.46Å; R402-I405 PolarHBondContact N-O 2.97Å; R402-I405 PolarHBondContact O-N 3.19Å; N403-I405 VanDerWaalsContact C-N 3.28Å; N403-I405 PolarHBondContact O-N 2.91Å
406S91.7Very high89.7Confident65 Ų6551.1 Ų51.146%0.45529%0.291SS..EExtended strand (participates in β ladder)trans-105.6146.9177.5-53.10000111.3V400V400-S406 CarbonylContact O-C 3.56Å; V400-S406 WeakPolarHBondContact O-CA 3.36Å
407G92.2Very high88.4Confident8 Ų858 Ų588%0.08231%0.314CS..EExtended strand (participates in β ladder)trans-172.9171.4172.300000112.2D377 V400D377-G407 CarbonylContact O-C 3.55Å; D377-G407 VanDerWaalsContact O-CA 3.31Å; D377-G407 WeakPolarHBondContact O-CA 3.5Å; V400-G407 PolarHBondContact N-O 3.19Å; V400-G407 PolarHBondContact O-N 3.34Å
408L93.4Very high88.3Confident38 Ų3856.9 Ų56.920%0.19931%0.314CS..EExtended strand (participates in β ladder)trans-81.6140.3-177.8-68.2169.8000111.7D377 E378 L379 W397 W398 T399D377-L408 HydrophobicContact CB-CD1 4.45Å; D377-L408 PolarHBondContact O-N 2.93Å; E378-L408 VanDerWaalsContact CA-O 3.32Å; E378-L408 WeakPolarHBondContact CA-O 3.41Å; E378-L408 HydrophobicContact CG-CB 4.36Å; L379-L408 PolarHBondContact N-O 3.23Å; W397-L408 HydrophobicContact CB-CD2 4.26Å; W397-L408 HydrophobicContact CE3-CB 4.15Å; W398-L408 WeakPolarHBondContact O-CA 3.19Å; T399-L408 WeakPolarHBondContact OG1-CD2 3.37Å
409V93.1Very high88Confident0 Ų057.5 Ų57.50%032%0.322CS..EExtended strand (participates in β ladder)trans-143.7154.9176.6-57.50000110.8L379 M381 W397 W398 V400 G411 L414L379-V409 HydrophobicContact CB-CG1 3.99Å; L379-V409 WeakPolarHBondContact O-CG1 3.29Å; M381-V409 HydrophobicContact CE-CB 3.19Å; M381-V409 HydrophobicContact CE-CG1 3.23Å; M381-V409 HydrophobicContact CE-CG2 3.48Å; M381-V409 VanDerWaalsContact CE-CG2 3.48Å; W397-V409 WeakPolarHBondContact CA-O 3.28Å; W398-V409 PolarHBondContact N-O 2.9Å; W398-V409 PolarHBondContact O-N 2.99Å; V400-V409 HydrophobicContact CB-CG2 4.27Å; V400-V409 HydrophobicContact CG1-CG2 3.59Å; V400-V409 HydrophobicContact CG2-CB 4.32Å; V400-V409 HydrophobicContact CG2-CG1 3.64Å; V400-V409 HydrophobicContact CG2-CG2 3.65Å; V409-G411 PolarHBondContact O-N 3.39Å; V409-L414 HydrophobicContact CG2-CD1 3.83Å; V409-L414 HydrophobicContact CG2-CG 4.47Å
410P92.6Very high87.7Confident17 Ų1759.1 Ų59.111%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-65.5118.9175.7-20.232.5000111Y371 W397 S412 Y413Y371-P410 HydrophobicContact CD2-CG 3.9Å; Y371-P410 HydrophobicContact CE2-CG 3.8Å; Y371-P410 HydrophobicContact CG-CG 4.36Å; W397-P410 HydrophobicContact CE3-CG 4.42Å; W397-P410 HydrophobicContact CH2-CG 4.16Å; W397-P410 HydrophobicContact CZ3-CG 3.93Å; P410-S412 PolarHBondContact O-N 3.47Å; P410-S412 VanDerWaalsContact O-N 3.13Å; P410-Y413 HydrophobicContact CB-CD1 3.75Å; P410-Y413 HydrophobicContact CB-CE1 4.23Å; P410-Y413 HydrophobicContact CB-CG 4.14Å; P410-Y413 HydrophobicContact CG-CD1 4.37Å; P410-Y413 HydrophobicContact CG-CG 4.5Å; P410-Y413 WeakPolarHBondContact O-CB 3.49Å; P410-Y413 PolarHBondContact O-N 3.39Å
411G89.7Confident87.4Confident5 Ų562.6 Ų62.65%0.05235%0.349CS..G310 helixtrans-60.6-27.3-179.800000113.5G396 W398 V409 Y413 L414G396-G411 PolarHBondContact O-N 3.5Å; W398-G411 VanDerWaalsContact CD2-CA 3.42Å; V409-G411 PolarHBondContact O-N 3.39Å; G411-Y413 PolarHBondContact O-N 3.35Å; G411-Y413 VanDerWaalsContact O-N 3.16Å; G411-L414 PolarHBondContact O-N 3.2Å
412S91.7Very high87.1Confident93 Ų9363.4 Ų63.465%0.6536%0.356SS*.G310 helixtrans-66.8-10.7174.957.80000114.5P410P410-S412 PolarHBondContact O-N 3.47Å; P410-S412 VanDerWaalsContact O-N 3.13Å
413Y91.4Very high87.1Confident80 Ų8064.4 Ų64.431%0.31437%0.368SS..G310 helixtrans-95.30.7178.9-76.142.2000111.6A367 L368 Y369 P410 G411A367-Y413 CarbonylContact C-O 3.56Å; A367-Y413 WeakPolarHBondContact CA-O 3.41Å; L368-Y413 PolarHBondContact N-O 2.8Å; Y369-Y413 HydrophobicContact CD2-CD1 4.41Å; Y369-Y413 HydrophobicContact CD2-CD2 4.05Å; Y369-Y413 HydrophobicContact CD2-CE2 4.33Å; Y369-Y413 HydrophobicContact CD2-CG 4.07Å; Y369-Y413 HydrophobicContact CG-CD2 4.32Å; Y369-Y413 HydrophobicContact CG-CE2 4.41Å; P410-Y413 HydrophobicContact CB-CD1 3.75Å; P410-Y413 HydrophobicContact CB-CE1 4.23Å; P410-Y413 HydrophobicContact CB-CG 4.14Å; P410-Y413 HydrophobicContact CG-CD1 4.37Å; P410-Y413 HydrophobicContact CG-CG 4.5Å; P410-Y413 WeakPolarHBondContact O-CB 3.49Å; P410-Y413 PolarHBondContact O-N 3.39Å; G411-Y413 PolarHBondContact O-N 3.35Å; G411-Y413 VanDerWaalsContact O-N 3.16Å
414L91.4Very high87.5Confident15 Ų1558.1 Ų58.18%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-112.6133.2-176.9-61.8176.6000110.7Y365 A367 M381 V387 V389 W398 V400 V409 G411Y365-L414 HydrophobicContact CD1-CB 3.97Å; Y365-L414 HydrophobicContact CG-CB 4.45Å; A367-L414 HydrophobicContact CB-CD2 4.4Å; M381-L414 HydrophobicContact CE-CD2 3.99Å; M381-L414 HydrophobicContact SD-CD2 4.3Å; V387-L414 HydrophobicContact CG2-CD1 4.24Å; V387-L414 HydrophobicContact CG2-CD2 3.6Å; V389-L414 HydrophobicContact CG2-CD1 4.09Å; W398-L414 HydrophobicContact CE3-CB 4.49Å; W398-L414 HydrophobicContact CE3-CD1 3.79Å; W398-L414 HydrophobicContact CZ3-CB 4.35Å; W398-L414 HydrophobicContact CZ3-CD1 4.42Å; V400-L414 HydrophobicContact CG1-CD1 3.73Å; V409-L414 HydrophobicContact CG2-CD1 3.83Å; V409-L414 HydrophobicContact CG2-CG 4.47Å; G411-L414 PolarHBondContact O-N 3.2Å
415A88.8Confident88.1Confident33 Ų3358 Ų5827%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-113.4137.6168.900000110Y365 Q366 L368 E417Y365-A415 CarbonylContact C-O 3.54Å; Y365-A415 WeakPolarHBondContact CA-O 3.19Å; Y365-A415 VanDerWaalsContact CD1-C 3.46Å; Q366-A415 PolarHBondContact N-O 3.28Å; Q366-A415 PolarHBondContact O-N 3.45Å; L368-A415 HydrophobicContact CD1-CB 4.03Å; L368-A415 HydrophobicContact CD2-CB 3.67Å; L368-A415 HydrophobicContact CG-CB 3.91Å; A415-E417 PolarHBondContact O-N 3.05Å
416K85.6Confident88.4Confident117 Ų11754.3 Ų54.351%0.50930%0.297SS..EExtended strand (participates in β ladder)trans-68.6128.4170.8-168.4166.4-175155.60108.1E363 Y365E363-K416 IonicContact OE1-NZ 3.82Å; E363-K416 PolarHBondContact OE1-NZ 3.2Å; E363-K416 IonicContact OE2-NZ 2.72Å; E363-K416 PolarHBondContact OE2-NZ 3.38Å; Y365-K416 HydrophobicContact CD1-CB 4.14Å; Y365-K416 HydrophobicContact CE1-CB 3.71Å; Y365-K416 HydrophobicContact CE1-CG 4.35Å
417E59Low88.1Confident180 Ų18053.3 Ų53.384%0.84128%0.283SS*.  trans-68.60177.2-153.6176-177.700112A415A415-E417 PolarHBondContact O-N 3.05Å

Retrieved 417 of 417 residues in 326.2 ms (Link to these results)

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