A0A087XCA0_POEFO Loading...

Proline-serine-threonine phosphatase interacting protein 1a

AlphaFold DB , UniProt , Accession A0A087XCA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1M73.8Confident93.3Very high239 Ų23989.8 Ų89.8100%1.17748%0.482SS*.  0133.40-158.9175.6-75.700106.7
2A89Confident92.9Very high81 Ų8196.8 Ų96.867%0.66952%0.519SS*.  trans-72.1133.8179.200000109.5
3L95.4Very high92.9Very high152 Ų15299.8 Ų99.880%0.79653%0.528SS*.  trans-71.1135175.9-62.6174.8000109.2
4Q97.4Very high92.9Very high69 Ų6997.5 Ų97.532%0.32251%0.511SS..  trans-116.6148.7178.8-49.5-168.4-8.600111.1K6 D7 S8 Q217Q4-K6 VanDerWaalsContact C-N 3.29Å; Q4-K6 HydrophobicContact CB-CG 4.16Å; Q4-K6 PolarHBondContact O-N 3.47Å; Q4-D7 WeakPolarHBondContact CB-OD2 3.49Å; Q4-D7 PolarHBondContact O-N 3.13Å; Q4-S8 PolarHBondContact O-OG 3.29Å; Q4-Q217 VanDerWaalsContact CA-OE1 3.28Å
5F98.1Very high92.9Very high41 Ų4195.4 Ų95.418%0.1850%0.5CS..Hα-helixtrans-61.2-41.7179.6-76.48.3000111.4D7 S8 F9 L23 C213 F216 Q217F5-D7 PolarHBondContact O-N 3.07Å; F5-D7 VanDerWaalsContact O-N 3.11Å; F5-S8 PolarHBondContact O-N 3.2Å; F5-S8 VanDerWaalsContact O-N 3.13Å; F5-F9 HydrophobicContact CB-CD2 3.92Å; F5-F9 HydrophobicContact CB-CE2 4.24Å; F5-F9 HydrophobicContact CD1-CD2 4.13Å; F5-F9 AromaticContact CD1-CE2 3.55Å; F5-F9 HydrophobicContact CD1-CE2 3.55Å; F5-F9 HydrophobicContact CD1-CZ 4.46Å; F5-F9 HydrophobicContact CE1-CE2 4.03Å; F5-F9 HydrophobicContact CG-CD2 4.08Å; F5-F9 AromaticContact CG-CE2 3.92Å; F5-F9 HydrophobicContact CG-CE2 3.92Å; F5-F9 WeakPolarHBondContact O-CD2 3.39Å; F5-F9 PolarHBondContact O-N 3.07Å; F5-L23 HydrophobicContact CB-CD1 4.45Å; F5-L23 HydrophobicContact CB-CD2 4.44Å; F5-L23 HydrophobicContact CD1-CD2 4.46Å; F5-L23 HydrophobicContact CD2-CD1 4.25Å; F5-L23 HydrophobicContact CD2-CD2 3.41Å; F5-L23 VanDerWaalsContact CD2-CD2 3.41Å; F5-L23 HydrophobicContact CD2-CG 4.45Å; F5-L23 HydrophobicContact CE2-CD2 3.62Å; F5-L23 HydrophobicContact CG-CD2 3.87Å; F5-L23 HydrophobicContact CZ-CD2 4.23Å; F5-C213 HydrophobicContact CB-CB 3.95Å; F5-F216 HydrophobicContact CD2-CB 4.41Å; F5-Q217 HydrophobicContact CB-CB 4.22Å; F5-Q217 HydrophobicContact CD1-CB 4.36Å; F5-Q217 HydrophobicContact CD1-CG 4.29Å; F5-Q217 HydrophobicContact CD2-CB 3.64Å; F5-Q217 HydrophobicContact CD2-CG 4.36Å; F5-Q217 HydrophobicContact CE1-CG 4.48Å; F5-Q217 HydrophobicContact CE2-CB 4.06Å; F5-Q217 HydrophobicContact CG-CB 3.82Å; F5-Q217 HydrophobicContact CG-CG 4.25Å
6K96.9Very high93Very high47 Ų4791.3 Ų91.320%0.20448%0.481CS..Hα-helixtrans-61.2-24.3-179.874.2-179.1-174.1-149.20113.7Q4 W10 V210 C213 E214Q4-K6 VanDerWaalsContact C-N 3.29Å; Q4-K6 HydrophobicContact CB-CG 4.16Å; Q4-K6 PolarHBondContact O-N 3.47Å; K6-W10 VanDerWaalsContact O-CE2 3.24Å; K6-W10 VanDerWaalsContact O-CZ2 3.22Å; K6-W10 WeakPolarHBondContact O-CZ2 3.25Å; K6-W10 PolarHBondContact O-NE1 2.98Å; K6-V210 HydrophobicContact CB-CB 4.47Å; K6-V210 HydrophobicContact CB-CG1 4.12Å; K6-V210 HydrophobicContact CB-CG2 4.36Å; K6-V210 HydrophobicContact CD-CG1 3.81Å; K6-C213 HydrophobicContact CB-CB 3.82Å; K6-E214 HydrophobicContact CD-CG 3.88Å; K6-E214 VanDerWaalsContact CD-OE1 3.28Å; K6-E214 WeakPolarHBondContact CD-OE1 3.44Å; K6-E214 IonicContact NZ-OE1 2.79Å; K6-E214 PolarHBondContact NZ-OE1 3.36Å
7D96.7Very high93Very high97 Ų9787.5 Ų87.552%0.51946%0.462SS..Hα-helixtrans-88.1-18.2-177.1-59.1-35.4000112.2Q4 F5Q4-D7 WeakPolarHBondContact CB-OD2 3.49Å; Q4-D7 PolarHBondContact O-N 3.13Å; F5-D7 PolarHBondContact O-N 3.07Å; F5-D7 VanDerWaalsContact O-N 3.11Å
8S96.1Very high93.1Very high74 Ų7485.1 Ų85.152%0.51746%0.456SS..Hα-helixtrans-123.6-22.9-165.1-55.10000115Q4 F5 W10Q4-S8 PolarHBondContact O-OG 3.29Å; F5-S8 PolarHBondContact O-N 3.2Å; F5-S8 VanDerWaalsContact O-N 3.13Å; S8-W10 PolarHBondContact O-N 3.01Å
9F96.9Very high93.3Very high56 Ų5680.9 Ų80.925%0.24644%0.436CS..  trans-10160.7-173.8-68.6-88.4000112.7F5 T22 L23 H209F5-F9 HydrophobicContact CB-CD2 3.92Å; F5-F9 HydrophobicContact CB-CE2 4.24Å; F5-F9 HydrophobicContact CD1-CD2 4.13Å; F5-F9 AromaticContact CD1-CE2 3.55Å; F5-F9 HydrophobicContact CD1-CE2 3.55Å; F5-F9 HydrophobicContact CD1-CZ 4.46Å; F5-F9 HydrophobicContact CE1-CE2 4.03Å; F5-F9 HydrophobicContact CG-CD2 4.08Å; F5-F9 AromaticContact CG-CE2 3.92Å; F5-F9 HydrophobicContact CG-CE2 3.92Å; F5-F9 WeakPolarHBondContact O-CD2 3.39Å; F5-F9 PolarHBondContact O-N 3.07Å; F9-T22 HydrophobicContact CD1-CG2 4.26Å; F9-T22 HydrophobicContact CE1-CG2 3.87Å; F9-L23 HydrophobicContact CB-CD1 3.91Å; F9-L23 HydrophobicContact CB-CD2 4.42Å; F9-L23 HydrophobicContact CB-CG 4.07Å; F9-L23 HydrophobicContact CD1-CD2 3.71Å; F9-L23 HydrophobicContact CD1-CG 3.87Å; F9-L23 HydrophobicContact CD2-CD1 4.39Å; F9-L23 HydrophobicContact CD2-CD2 3.68Å; F9-L23 HydrophobicContact CD2-CG 4.27Å; F9-L23 HydrophobicContact CE1-CD2 3.76Å; F9-L23 HydrophobicContact CE1-CG 4.37Å; F9-L23 HydrophobicContact CE2-CD2 3.74Å; F9-L23 HydrophobicContact CG-CD1 4.06Å; F9-L23 HydrophobicContact CG-CD2 3.66Å; F9-L23 HydrophobicContact CG-CG 3.8Å; F9-L23 HydrophobicContact CZ-CD2 3.78Å; F9-H209 PolarHBondContact O-CE1 3.24Å; F9-H209 VanDerWaalsContact O-CE1 3.24Å; F9-H209 PolarHBondContact O-NE2 3.44Å
10W95.6Very high93.4Very high106 Ų10677.7 Ų77.740%0.40242%0.417SS..  trans-96.4171.9174.1-61.2100.6000112.3K6 S8 W205 E206 H209 V210K6-W10 VanDerWaalsContact O-CE2 3.24Å; K6-W10 VanDerWaalsContact O-CZ2 3.22Å; K6-W10 WeakPolarHBondContact O-CZ2 3.25Å; K6-W10 PolarHBondContact O-NE1 2.98Å; S8-W10 PolarHBondContact O-N 3.01Å; W10-W205 HydrophobicContact CE3-CH2 4.27Å; W10-W205 HydrophobicContact CE3-CZ3 4.06Å; W10-W205 HydrophobicContact CZ3-CH2 4.37Å; W10-W205 AromaticContact CZ3-CZ3 3.83Å; W10-W205 HydrophobicContact CZ3-CZ3 3.83Å; W10-E206 HydrophobicContact CZ3-CG 4.34Å; W10-H209 AromaticContact CE3-CD2 3.71Å; W10-H209 AromaticContact CH2-CD2 3.87Å; W10-H209 HydrophobicContact CZ3-CB 4.49Å; W10-H209 AromaticContact CZ3-CD2 3.47Å; W10-H209 VanDerWaalsContact CZ3-CD2 3.47Å; W10-H209 WeakPolarHBondContact CZ3-CD2 3.44Å; W10-V210 HydrophobicContact CH2-CG2 3.85Å; W10-V210 HydrophobicContact CZ2-CG2 4.13Å
11G90.6Very high93.5Very high26 Ų2679.7 Ų79.727%0.26842%0.424SS..  trans-101.6147.1170.600000111.6E13G11-E13 VanDerWaalsContact C-N 3.34Å
12N88.7Confident94.6Very high173 Ų17371.8 Ų71.893%0.92539%0.389SS*.SBendtrans-73.7-26.6178.9-68.3-20.7000113.1
13E92.8Very high95.1Very high137 Ų13768 Ų6864%0.6436%0.357SS*.SBendtrans-114154.8179.4-58.1-175.2167.800110.7G11 I15 S16G11-E13 VanDerWaalsContact C-N 3.34Å; E13-I15 PolarHBondContact O-N 3.05Å; E13-I15 VanDerWaalsContact O-N 3.13Å; E13-S16 VanDerWaalsContact O-CB 3.29Å; E13-S16 WeakPolarHBondContact O-CB 3.42Å; E13-S16 PolarHBondContact O-N 3.44Å
14F92.4Very high95.1Very high67 Ų6762 Ų6229%0.29433%0.326SS..THydrogen-bonded Turntrans-54.4-37.9-177.8-172.2-86.5000113.5K128 Y132 L198 R202F14-K128 HydrophobicContact CE1-CD 4.27Å; F14-K128 HydrophobicContact CE1-CG 3.75Å; F14-K128 HydrophobicContact CZ-CG 4.31Å; F14-K128 WeakPolarHBondContact O-CE 3.2Å; F14-K128 PolarHBondContact O-NZ 3.26Å; F14-Y132 HydrophobicContact CB-CD2 4.41Å; F14-Y132 HydrophobicContact CB-CE2 4.13Å; F14-Y132 AromaticContact CD1-CD2 3.31Å; F14-Y132 HydrophobicContact CD1-CD2 3.31Å; F14-Y132 AromaticContact CD1-CE2 3.9Å; F14-Y132 HydrophobicContact CD1-CE2 3.9Å; F14-Y132 AromaticContact CD1-CG 3.83Å; F14-Y132 HydrophobicContact CD1-CG 3.83Å; F14-Y132 AromaticContact CE1-CD2 3.72Å; F14-Y132 HydrophobicContact CE1-CD2 3.72Å; F14-Y132 HydrophobicContact CE1-CG 4.18Å; F14-Y132 AromaticContact CG-CD2 3.94Å; F14-Y132 HydrophobicContact CG-CD2 3.94Å; F14-Y132 HydrophobicContact CG-CE2 4.07Å; F14-L198 HydrophobicContact CE1-CD1 3.66Å; F14-L198 HydrophobicContact CE1-CD2 4.48Å; F14-L198 HydrophobicContact CE1-CG 4.31Å; F14-L198 HydrophobicContact CZ-CD1 3.66Å; F14-L198 HydrophobicContact CZ-CD2 4.25Å; F14-L198 HydrophobicContact CZ-CG 3.9Å; F14-R202 HydrophobicContact CE2-CB 4.33Å; F14-R202 HydrophobicContact CE2-CG 3.98Å; F14-R202 HydrophobicContact CZ-CB 4.12Å; F14-R202 HydrophobicContact CZ-CG 4.23Å
15I93.3Very high95.1Very high66 Ų6664 Ų6434%0.33834%0.335SS..THydrogen-bonded Turntrans-95.2-1.8-179.659.8170.2000113.4E13 Q125 V129 Y132E13-I15 PolarHBondContact O-N 3.05Å; E13-I15 VanDerWaalsContact O-N 3.13Å; I15-Q125 PolarHBondContact O-NE2 3.31Å; I15-V129 HydrophobicContact CB-CG2 4.13Å; I15-V129 HydrophobicContact CG2-CG2 4.17Å; I15-Y132 HydrophobicContact CG2-CD1 3.39Å; I15-Y132 HydrophobicContact CG2-CD2 4.44Å; I15-Y132 HydrophobicContact CG2-CE1 3.89Å; I15-Y132 HydrophobicContact CG2-CG 3.7Å
16S93.8Very high95.1Very high29 Ų2966 Ų6620%0.20334%0.341CS..  trans-69.4141.6180-177.70000110.8E13 A18E13-S16 VanDerWaalsContact O-CB 3.29Å; E13-S16 WeakPolarHBondContact O-CB 3.42Å; E13-S16 PolarHBondContact O-N 3.44Å; S16-A18 PolarHBondContact OG-N 3.34Å
17N93.6Very high95.1Very high28 Ų2864 Ų6415%0.1533%0.333CS..  trans-12216.7174.5-157.737000112.3G19 Y20 E21 M121 Q125N17-G19 VanDerWaalsContact C-N 3.34Å; N17-G19 PolarHBondContact O-N 2.88Å; N17-Y20 WeakPolarHBondContact ND2-CD1 3.41Å; N17-Y20 PolarHBondContact O-N 2.97Å; N17-Y20 WeakPolarHBondContact OD1-CB 3.4Å; N17-E21 WeakPolarHBondContact O-CG 3.41Å; N17-E21 PolarHBondContact O-N 2.86Å; N17-M121 WeakPolarHBondContact OD1-CE 3.24Å; N17-Q125 HydrophobicContact CB-CG 4.49Å
18A95.6Very high95.1Very high44 Ų4461.9 Ų61.936%0.36432%0.322SS..Hα-helixtrans-61.4-37.7-17000000113.6S16 E21 T22S16-A18 PolarHBondContact OG-N 3.34Å; A18-E21 PolarHBondContact O-N 3.39Å; A18-T22 WeakPolarHBondContact O-CB 3.45Å; A18-T22 PolarHBondContact O-N 3.4Å; A18-T22 PolarHBondContact O-OG1 2.63Å
19G95.6Very high95.2Very high6 Ų661.6 Ų61.66%0.06231%0.312CS..Hα-helixtrans-60.5-46.3176.300000112.1N17 T22 L23N17-G19 VanDerWaalsContact C-N 3.34Å; N17-G19 PolarHBondContact O-N 2.88Å; G19-T22 WeakPolarHBondContact O-CB 3.4Å; G19-T22 PolarHBondContact O-N 3.09Å; G19-L23 WeakPolarHBondContact O-CG 3.5Å; G19-L23 PolarHBondContact O-N 2.95Å
20Y95.8Very high95.2Very high15 Ų1558.9 Ų58.96%0.05930%0.3CS..Hα-helixtrans-64.1-43.8175.3171.6-95.3000112.6N17 T22 L23 I24 E118 M121 I212 F216N17-Y20 WeakPolarHBondContact ND2-CD1 3.41Å; N17-Y20 PolarHBondContact O-N 2.97Å; N17-Y20 WeakPolarHBondContact OD1-CB 3.4Å; Y20-T22 VanDerWaalsContact C-N 3.27Å; Y20-T22 PolarHBondContact O-N 3.08Å; Y20-L23 WeakPolarHBondContact O-CB 3.31Å; Y20-L23 PolarHBondContact O-N 2.85Å; Y20-L23 VanDerWaalsContact O-N 3.14Å; Y20-I24 HydrophobicContact CD1-CG1 4.18Å; Y20-I24 HydrophobicContact CD2-CG1 4.47Å; Y20-I24 HydrophobicContact CE1-CD1 4.4Å; Y20-I24 HydrophobicContact CE1-CG1 3.64Å; Y20-I24 HydrophobicContact CE2-CD1 4.12Å; Y20-I24 HydrophobicContact CE2-CG1 3.94Å; Y20-I24 VanDerWaalsContact CZ-CG1 3.49Å; Y20-I24 PolarHBondContact O-N 2.79Å; Y20-I24 WeakPolarHBondContact OH-CD1 3.34Å; Y20-E118 VanDerWaalsContact OH-CA 3.29Å; Y20-E118 WeakPolarHBondContact OH-CA 3.41Å; Y20-E118 WeakPolarHBondContact OH-CG 3.33Å; Y20-M121 HydrophobicContact CD1-CG 4.27Å; Y20-M121 HydrophobicContact CD2-CB 4.47Å; Y20-M121 HydrophobicContact CD2-CE 4.26Å; Y20-M121 HydrophobicContact CD2-CG 3.76Å; Y20-M121 HydrophobicContact CE1-CG 4.13Å; Y20-M121 HydrophobicContact CE2-CB 3.86Å; Y20-M121 HydrophobicContact CE2-CG 3.62Å; Y20-M121 HydrophobicContact CG-CE 4.23Å; Y20-M121 HydrophobicContact CG-CG 4.07Å; Y20-I212 HydrophobicContact CD2-CG2 4.33Å; Y20-I212 HydrophobicContact CE2-CG2 4.06Å; Y20-F216 HydrophobicContact CD2-CE2 4.31Å; Y20-F216 AromaticContact CE2-CE2 3.76Å; Y20-F216 HydrophobicContact CE2-CE2 3.76Å; Y20-F216 HydrophobicContact CE2-CZ 4.26Å
21E96Very high95.3Very high121 Ų12157.2 Ų57.257%0.56529%0.294SS*.Hα-helixtrans-59.5-39.8177.2-72.3174.3179.500111.9N17 A18 L23 I24 Q25N17-E21 WeakPolarHBondContact O-CG 3.41Å; N17-E21 PolarHBondContact O-N 2.86Å; A18-E21 PolarHBondContact O-N 3.39Å; E21-L23 PolarHBondContact O-N 2.94Å; E21-I24 PolarHBondContact O-N 3.05Å; E21-Q25 WeakPolarHBondContact O-CB 3.18Å; E21-Q25 PolarHBondContact O-N 3.38Å
22T97.4Very high95.7Very high72 Ų7263 Ų6344%0.44231%0.308SS..Hα-helixtrans-61.1-43.6175.4-560000111.4F9 A18 G19 Y20 Q25 R26F9-T22 HydrophobicContact CD1-CG2 4.26Å; F9-T22 HydrophobicContact CE1-CG2 3.87Å; A18-T22 WeakPolarHBondContact O-CB 3.45Å; A18-T22 PolarHBondContact O-N 3.4Å; A18-T22 PolarHBondContact O-OG1 2.63Å; G19-T22 WeakPolarHBondContact O-CB 3.4Å; G19-T22 PolarHBondContact O-N 3.09Å; Y20-T22 VanDerWaalsContact C-N 3.27Å; Y20-T22 PolarHBondContact O-N 3.08Å; T22-Q25 PolarHBondContact O-N 2.92Å; T22-R26 PolarHBondContact O-N 3.17Å
23L97.7Very high96.1Very high2 Ų257.3 Ų57.31%0.0128%0.28CS..Hα-helixtrans-64.9-43176.8-67.3-179.8000112.1F5 F9 G19 Y20 E21 Q25 R26 L27 C213 F216F5-L23 HydrophobicContact CB-CD1 4.45Å; F5-L23 HydrophobicContact CB-CD2 4.44Å; F5-L23 HydrophobicContact CD1-CD2 4.46Å; F5-L23 HydrophobicContact CD2-CD1 4.25Å; F5-L23 HydrophobicContact CD2-CD2 3.41Å; F5-L23 VanDerWaalsContact CD2-CD2 3.41Å; F5-L23 HydrophobicContact CD2-CG 4.45Å; F5-L23 HydrophobicContact CE2-CD2 3.62Å; F5-L23 HydrophobicContact CG-CD2 3.87Å; F5-L23 HydrophobicContact CZ-CD2 4.23Å; F9-L23 HydrophobicContact CB-CD1 3.91Å; F9-L23 HydrophobicContact CB-CD2 4.42Å; F9-L23 HydrophobicContact CB-CG 4.07Å; F9-L23 HydrophobicContact CD1-CD2 3.71Å; F9-L23 HydrophobicContact CD1-CG 3.87Å; F9-L23 HydrophobicContact CD2-CD1 4.39Å; F9-L23 HydrophobicContact CD2-CD2 3.68Å; F9-L23 HydrophobicContact CD2-CG 4.27Å; F9-L23 HydrophobicContact CE1-CD2 3.76Å; F9-L23 HydrophobicContact CE1-CG 4.37Å; F9-L23 HydrophobicContact CE2-CD2 3.74Å; F9-L23 HydrophobicContact CG-CD1 4.06Å; F9-L23 HydrophobicContact CG-CD2 3.66Å; F9-L23 HydrophobicContact CG-CG 3.8Å; F9-L23 HydrophobicContact CZ-CD2 3.78Å; G19-L23 WeakPolarHBondContact O-CG 3.5Å; G19-L23 PolarHBondContact O-N 2.95Å; Y20-L23 WeakPolarHBondContact O-CB 3.31Å; Y20-L23 PolarHBondContact O-N 2.85Å; Y20-L23 VanDerWaalsContact O-N 3.14Å; E21-L23 PolarHBondContact O-N 2.94Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 PolarHBondContact O-N 2.74Å; L23-R26 PolarHBondContact O-N 2.93Å; L23-L27 WeakPolarHBondContact O-CG 3.36Å; L23-L27 PolarHBondContact O-N 2.92Å; L23-C213 HydrophobicContact CD1-CB 4.5Å; L23-F216 HydrophobicContact CB-CD2 4.06Å; L23-F216 HydrophobicContact CD1-CD2 4.44Å
24I96.8Very high96.4Very high25 Ų2550.8 Ų50.813%0.12825%0.249CC..Hα-helixtrans-61.9-41.9176.3-71.1-63.6000111.4Y20 E21 L27 N28 R114 E118 F216Y20-I24 HydrophobicContact CD1-CG1 4.18Å; Y20-I24 HydrophobicContact CD2-CG1 4.47Å; Y20-I24 HydrophobicContact CE1-CD1 4.4Å; Y20-I24 HydrophobicContact CE1-CG1 3.64Å; Y20-I24 HydrophobicContact CE2-CD1 4.12Å; Y20-I24 HydrophobicContact CE2-CG1 3.94Å; Y20-I24 VanDerWaalsContact CZ-CG1 3.49Å; Y20-I24 PolarHBondContact O-N 2.79Å; Y20-I24 WeakPolarHBondContact OH-CD1 3.34Å; E21-I24 PolarHBondContact O-N 3.05Å; I24-L27 PolarHBondContact O-N 3.46Å; I24-N28 WeakPolarHBondContact CG2-ND2 3.24Å; I24-N28 WeakPolarHBondContact O-CB 3.5Å; I24-N28 PolarHBondContact O-N 2.91Å; I24-N28 PolarHBondContact O-ND2 3.4Å; I24-R114 HydrophobicContact CD1-CG 4.15Å; I24-E118 HydrophobicContact CD1-CG 3.72Å; I24-F216 HydrophobicContact CD1-CE2 3.47Å; I24-F216 VanDerWaalsContact CD1-CE2 3.47Å; I24-F216 HydrophobicContact CD1-CZ 3.62Å; I24-F216 HydrophobicContact CG1-CE2 4.18Å
25Q97.2Very high96.7Very high112 Ų11250.9 Ų50.952%0.52325%0.249SC..Hα-helixtrans-58.5-49.5174.5179.6177.8-10.800110.8E21 T22 L23 L27 N28 E29E21-Q25 WeakPolarHBondContact O-CB 3.18Å; E21-Q25 PolarHBondContact O-N 3.38Å; T22-Q25 PolarHBondContact O-N 2.92Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 PolarHBondContact O-N 2.74Å; Q25-L27 VanDerWaalsContact C-N 3.34Å; Q25-L27 PolarHBondContact O-N 3.33Å; Q25-N28 PolarHBondContact O-N 3.43Å; Q25-N28 VanDerWaalsContact O-N 3.12Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.45Å; Q25-E29 PolarHBondContact NE2-OE1 3.1Å; Q25-E29 WeakPolarHBondContact O-CG 3.49Å; Q25-E29 PolarHBondContact O-N 3.15Å
26R97.6Very high96.9Very high82 Ų8252.6 Ų52.631%0.30926%0.259SS..Hα-helixtrans-57.4-44.1179.4176.264-163.8108.2-9.9112.5T22 L23 E29 G30 E220T22-R26 PolarHBondContact O-N 3.17Å; L23-R26 PolarHBondContact O-N 2.93Å; R26-E29 WeakPolarHBondContact O-CB 3.47Å; R26-E29 PolarHBondContact O-N 3.29Å; R26-G30 PolarHBondContact O-N 3.43Å; R26-E220 IonicContact CZ-OE1 3.96Å; R26-E220 VanDerWaalsContact CZ-OE1 3.24Å; R26-E220 IonicContact CZ-OE2 3.25Å; R26-E220 IonicContact NE-OE1 3.67Å; R26-E220 IonicContact NH2-OE1 2.67Å; R26-E220 PolarHBondContact NH2-OE1 2.98Å; R26-E220 IonicContact NH2-OE2 2.81Å
27L96.9Very high97.1Very high6 Ų651.9 Ų51.93%0.03125%0.254CS..Hα-helixtrans-67.1-35.7177.9-69.6177.3000112.5L23 I24 Q25 G30 R31 R114 F216 Q219L23-L27 WeakPolarHBondContact O-CG 3.36Å; L23-L27 PolarHBondContact O-N 2.92Å; I24-L27 PolarHBondContact O-N 3.46Å; Q25-L27 VanDerWaalsContact C-N 3.34Å; Q25-L27 PolarHBondContact O-N 3.33Å; L27-G30 PolarHBondContact O-N 3.47Å; L27-R31 WeakPolarHBondContact O-CB 3.19Å; L27-R31 PolarHBondContact O-N 2.94Å; L27-R114 HydrophobicContact CD1-CG 4Å; L27-F216 HydrophobicContact CD1-CB 3.89Å; L27-F216 HydrophobicContact CD1-CD1 3.59Å; L27-F216 HydrophobicContact CD1-CD2 3.69Å; L27-F216 HydrophobicContact CD1-CE1 3.93Å; L27-F216 HydrophobicContact CD1-CE2 4.01Å; L27-F216 HydrophobicContact CD1-CG 3.45Å; L27-F216 VanDerWaalsContact CD1-CG 3.45Å; L27-F216 HydrophobicContact CD1-CZ 4.12Å; L27-Q219 HydrophobicContact CD2-CB 4.25Å
28N96.9Very high97.3Very high52 Ų5251 Ų5128%0.27825%0.249SC..Hα-helixtrans-69.1-36.1174.5-78.4-48000112.4I24 Q25 R32 R114I24-N28 WeakPolarHBondContact CG2-ND2 3.24Å; I24-N28 WeakPolarHBondContact O-CB 3.5Å; I24-N28 PolarHBondContact O-N 2.91Å; I24-N28 PolarHBondContact O-ND2 3.4Å; Q25-N28 PolarHBondContact O-N 3.43Å; Q25-N28 VanDerWaalsContact O-N 3.12Å; N28-R32 PolarHBondContact O-N 3.39Å; N28-R32 VanDerWaalsContact O-N 3.13Å; N28-R32 PolarHBondContact O-NE 2.87Å; N28-R114 PolarHBondContact OD1-NH1 3.21Å; N28-R114 VanDerWaalsContact OD1-NH1 3.12Å; N28-R114 PolarHBondContact OD1-NH2 3.08Å
29E98.1Very high97.5Very high68 Ų6851.5 Ų51.532%0.31825%0.245SC..Hα-helixtrans-64-46.9169.9-71.1167.2-176.400111.2Q25 R26 R31 R32 T33Q25-E29 WeakPolarHBondContact CG-OE1 3.45Å; Q25-E29 PolarHBondContact NE2-OE1 3.1Å; Q25-E29 WeakPolarHBondContact O-CG 3.49Å; Q25-E29 PolarHBondContact O-N 3.15Å; R26-E29 WeakPolarHBondContact O-CB 3.47Å; R26-E29 PolarHBondContact O-N 3.29Å; E29-R31 VanDerWaalsContact C-N 3.28Å; E29-R31 PolarHBondContact O-N 3.44Å; E29-R32 WeakPolarHBondContact O-CA 2.91Å; E29-R32 WeakPolarHBondContact O-CB 3.36Å; E29-R32 PolarHBondContact O-N 2.95Å; E29-T33 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-OG1 3.48Å
30G98Very high97.6Very high0 Ų055.2 Ų55.20%026%0.263CS..Hα-helixtrans-56.8-41.6175.200000112.5R26 L27 R32 T33 C34 R223R26-G30 PolarHBondContact O-N 3.43Å; L27-G30 PolarHBondContact O-N 3.47Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.34Å; G30-T33 WeakPolarHBondContact O-CB 3.4Å; G30-T33 PolarHBondContact O-N 2.92Å; G30-C34 PolarHBondContact O-N 3.37Å; G30-C34 VanDerWaalsContact O-N 3.1Å; G30-C34 PolarHBondContact O-SG 3.39Å; G30-C34 VanDerWaalsContact O-SG 3.39Å; G30-R223 VanDerWaalsContact CA-CD 3.47Å
31R97.2Very high97.7Very high71 Ų7154.6 Ų54.627%0.26826%0.261SS..Hα-helixtrans-62.1-39.4174.9-169.4-178.3174.3-99.6-3.6112.5L27 E29 C34 K35 R107 E108L27-R31 WeakPolarHBondContact O-CB 3.19Å; L27-R31 PolarHBondContact O-N 2.94Å; E29-R31 VanDerWaalsContact C-N 3.28Å; E29-R31 PolarHBondContact O-N 3.44Å; R31-C34 PolarHBondContact O-N 2.91Å; R31-K35 PolarHBondContact O-N 3.45Å; R31-R107 HydrophobicContact CG-CG 3.49Å; R31-R107 VanDerWaalsContact CG-CG 3.49Å; R31-E108 IonicContact CZ-OE1 3.6Å; R31-E108 IonicContact NH2-OE1 3.87Å; R31-E108 PolarHBondContact NH2-OE1 3.22Å; R31-E108 IonicContact NH2-OE2 3.24Å
32R98Very high97.8Very high146 Ų14654.7 Ų54.755%0.55126%0.259SS*.Hα-helixtrans-63.2-45.6175.1-79.9179.3-82.3167.7-7.1110.7N28 E29 G30 C34 K35 D36N28-R32 PolarHBondContact O-N 3.39Å; N28-R32 VanDerWaalsContact O-N 3.13Å; N28-R32 PolarHBondContact O-NE 2.87Å; E29-R32 WeakPolarHBondContact O-CA 2.91Å; E29-R32 WeakPolarHBondContact O-CB 3.36Å; E29-R32 PolarHBondContact O-N 2.95Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.34Å; R32-C34 VanDerWaalsContact C-N 3.29Å; R32-C34 PolarHBondContact O-N 3.24Å; R32-K35 WeakPolarHBondContact O-CA 3.26Å; R32-K35 VanDerWaalsContact O-CB 3.31Å; R32-K35 WeakPolarHBondContact O-CB 3.4Å; R32-K35 PolarHBondContact O-N 3.21Å; R32-D36 PolarHBondContact O-N 2.99Å
33T98.1Very high97.9Very high55 Ų5557.6 Ų57.634%0.33727%0.27SS..Hα-helixtrans-56-41.9174.7-50.10000112.6E29 G30 K35 D36 V37E29-T33 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-OG1 3.48Å; G30-T33 WeakPolarHBondContact O-CB 3.4Å; G30-T33 PolarHBondContact O-N 2.92Å; T33-K35 VanDerWaalsContact C-N 3.25Å; T33-K35 PolarHBondContact O-N 3.05Å; T33-D36 PolarHBondContact O-N 2.9Å; T33-V37 WeakPolarHBondContact O-CG2 3.1Å; T33-V37 PolarHBondContact O-N 3.2Å
34C98.3Very high97.9Very high0 Ų061.9 Ų61.90%029%0.285CS..Hα-helixtrans-62.5-33175.2-62.70000112.7G30 R31 R32 E38 M103 R107G30-C34 PolarHBondContact O-N 3.37Å; G30-C34 VanDerWaalsContact O-N 3.1Å; G30-C34 PolarHBondContact O-SG 3.39Å; G30-C34 VanDerWaalsContact O-SG 3.39Å; R31-C34 PolarHBondContact O-N 2.91Å; R32-C34 VanDerWaalsContact C-N 3.29Å; R32-C34 PolarHBondContact O-N 3.24Å; C34-E38 WeakPolarHBondContact O-CB 3.48Å; C34-E38 PolarHBondContact O-N 2.96Å; C34-M103 HydrophobicContact CB-CG 4.47Å; C34-M103 HydrophobicContact CB-SD 3.86Å; C34-M103 WeakPolarHBondContact O-CG 3.33Å; C34-R107 HydrophobicContact CB-CB 4.43Å; C34-R107 HydrophobicContact CB-CG 4.42Å
35K98.3Very high98Very high69 Ų6960.7 Ų60.730%0.328%0.28SS..Hα-helixtrans-70.9-41.5174.7-179.854178.9148.20111.4R31 R32 T33 V37 E38 D39R31-K35 PolarHBondContact O-N 3.45Å; R32-K35 WeakPolarHBondContact O-CA 3.26Å; R32-K35 VanDerWaalsContact O-CB 3.31Å; R32-K35 WeakPolarHBondContact O-CB 3.4Å; R32-K35 PolarHBondContact O-N 3.21Å; T33-K35 VanDerWaalsContact C-N 3.25Å; T33-K35 PolarHBondContact O-N 3.05Å; K35-V37 VanDerWaalsContact C-N 3.31Å; K35-V37 PolarHBondContact O-N 3.48Å; K35-E38 IonicContact NZ-OE1 3.38Å; K35-E38 PolarHBondContact NZ-OE1 3.43Å; K35-E38 WeakPolarHBondContact O-CB 3.37Å; K35-E38 PolarHBondContact O-N 3.26Å; K35-D39 WeakPolarHBondContact CE-OD2 3.44Å; K35-D39 VanDerWaalsContact NZ-CG 3.3Å; K35-D39 IonicContact NZ-OD1 3.53Å; K35-D39 PolarHBondContact NZ-OD1 3.41Å; K35-D39 IonicContact NZ-OD2 3.96Å; K35-D39 PolarHBondContact NZ-OD2 3.29Å; K35-D39 PolarHBondContact O-N 3.45Å
36D98.4Very high98Very high101 Ų10158.9 Ų58.954%0.5428%0.279SS..Hα-helixtrans-61.4-41.1176.6-56.2-31000111.3R32 T33 D39 L40R32-D36 PolarHBondContact O-N 2.99Å; T33-D36 PolarHBondContact O-N 2.9Å; D36-D39 PolarHBondContact O-N 3.43Å; D36-L40 WeakPolarHBondContact O-CB 3.36Å; D36-L40 PolarHBondContact O-N 2.91Å
37V98.3Very high98.1Very high15 Ų1557.7 Ų57.79%0.09129%0.287CS..Hα-helixtrans-65.2-42.9174.5173.60000111.6T33 K35 D39 L40 L41 M103 V227 L231T33-V37 WeakPolarHBondContact O-CG2 3.1Å; T33-V37 PolarHBondContact O-N 3.2Å; K35-V37 VanDerWaalsContact C-N 3.31Å; K35-V37 PolarHBondContact O-N 3.48Å; V37-D39 VanDerWaalsContact C-N 3.33Å; V37-D39 PolarHBondContact O-N 2.97Å; V37-L40 PolarHBondContact O-N 2.98Å; V37-L41 HydrophobicContact CG1-CD1 4.15Å; V37-L41 HydrophobicContact CG1-CG 4.44Å; V37-L41 WeakPolarHBondContact O-CG 3.46Å; V37-L41 PolarHBondContact O-N 3.14Å; V37-M103 HydrophobicContact CG1-CE 4.12Å; V37-V227 HydrophobicContact CG2-CG1 4.17Å; V37-L231 HydrophobicContact CG1-CD2 4.47Å
38E97.9Very high98.2Very high10 Ų1058.1 Ų58.15%0.04729%0.289CS..Hα-helixtrans-56.6-48.2174.2-178.1-163.7107.400111.1C34 K35 L40 L41 K42 V100 M103 E104 R107C34-E38 WeakPolarHBondContact O-CB 3.48Å; C34-E38 PolarHBondContact O-N 2.96Å; K35-E38 IonicContact NZ-OE1 3.38Å; K35-E38 PolarHBondContact NZ-OE1 3.43Å; K35-E38 WeakPolarHBondContact O-CB 3.37Å; K35-E38 PolarHBondContact O-N 3.26Å; E38-L40 PolarHBondContact O-N 3.07Å; E38-L41 PolarHBondContact O-N 2.98Å; E38-K42 VanDerWaalsContact O-CB 3.29Å; E38-K42 WeakPolarHBondContact O-CB 3.45Å; E38-K42 PolarHBondContact O-N 3.29Å; E38-V100 HydrophobicContact CG-CG1 3.67Å; E38-M103 HydrophobicContact CB-CG 4.3Å; E38-E104 WeakPolarHBondContact OE2-CB 3.49Å; E38-R107 IonicContact OE2-CZ 2.71Å; E38-R107 IonicContact OE2-NH1 2.98Å; E38-R107 PolarHBondContact OE2-NH1 3.39Å; E38-R107 IonicContact OE2-NH2 3.79Å; E38-R107 PolarHBondContact OE2-NH2 3.41Å
39D98.4Very high98.3Very high54 Ų5457.9 Ų57.929%0.28929%0.286SS..Hα-helixtrans-66.1-38.7-178.4-73.2-31.9000111.8K35 D36 V37 K42 M43K35-D39 WeakPolarHBondContact CE-OD2 3.44Å; K35-D39 VanDerWaalsContact NZ-CG 3.3Å; K35-D39 IonicContact NZ-OD1 3.53Å; K35-D39 PolarHBondContact NZ-OD1 3.41Å; K35-D39 IonicContact NZ-OD2 3.96Å; K35-D39 PolarHBondContact NZ-OD2 3.29Å; K35-D39 PolarHBondContact O-N 3.45Å; D36-D39 PolarHBondContact O-N 3.43Å; V37-D39 VanDerWaalsContact C-N 3.33Å; V37-D39 PolarHBondContact O-N 2.97Å; D39-K42 PolarHBondContact O-N 3.49Å; D39-M43 WeakPolarHBondContact O-CE 3.41Å; D39-M43 WeakPolarHBondContact O-CG 3.46Å; D39-M43 PolarHBondContact O-N 2.96Å
40L98.3Very high98.3Very high83 Ų8362.2 Ų62.244%0.43530%0.304SS..Hα-helixtrans-57.8-53.1172.1179.9156.2000111.4D36 V37 E38 K42 M43 R44D36-L40 WeakPolarHBondContact O-CB 3.36Å; D36-L40 PolarHBondContact O-N 2.91Å; V37-L40 PolarHBondContact O-N 2.98Å; E38-L40 PolarHBondContact O-N 3.07Å; L40-K42 VanDerWaalsContact C-N 3.26Å; L40-K42 PolarHBondContact O-N 2.66Å; L40-M43 PolarHBondContact O-N 3.36Å; L40-R44 WeakPolarHBondContact O-CB 3.3Å; L40-R44 PolarHBondContact O-N 2.98Å
41L97.9Very high98.3Very high2 Ų267.8 Ų67.81%0.0133%0.326CS..Hα-helixtrans-62.9-36.5-179.1-68.5176.5000111.4V37 E38 R44 A45 L96 E99 V100 H234V37-L41 HydrophobicContact CG1-CD1 4.15Å; V37-L41 HydrophobicContact CG1-CG 4.44Å; V37-L41 WeakPolarHBondContact O-CG 3.46Å; V37-L41 PolarHBondContact O-N 3.14Å; E38-L41 PolarHBondContact O-N 2.98Å; L41-R44 PolarHBondContact O-N 2.91Å; L41-A45 WeakPolarHBondContact O-CB 3.44Å; L41-A45 PolarHBondContact O-N 2.87Å; L41-L96 HydrophobicContact CD2-CD2 4.47Å; L41-E99 HydrophobicContact CD1-CB 4.24Å; L41-V100 HydrophobicContact CB-CG2 3.5Å; L41-V100 VanDerWaalsContact CB-CG2 3.5Å; L41-H234 HydrophobicContact CD2-CB 4.15Å
42K98.4Very high98.4Very high123 Ų12364.4 Ų64.454%0.53531%0.313SS..Hα-helixtrans-65.8-45.9176.8-174.4177.5-178177.10112.4E38 D39 L40 R44 A45 S46 V100E38-K42 VanDerWaalsContact O-CB 3.29Å; E38-K42 WeakPolarHBondContact O-CB 3.45Å; E38-K42 PolarHBondContact O-N 3.29Å; D39-K42 PolarHBondContact O-N 3.49Å; L40-K42 VanDerWaalsContact C-N 3.26Å; L40-K42 PolarHBondContact O-N 2.66Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 2.91Å; K42-A45 PolarHBondContact O-N 3.34Å; K42-S46 PolarHBondContact O-N 3.26Å; K42-V100 HydrophobicContact CB-CG1 4.5Å; K42-V100 HydrophobicContact CB-CG2 4.17Å
43M98.6Very high98.4Very high134 Ų13462.6 Ų62.666%0.6631%0.309SS*.Hα-helixtrans-61-43.2174.9-73.5-175.2-71.600110.8D39 L40 S46 A47D39-M43 WeakPolarHBondContact O-CE 3.41Å; D39-M43 WeakPolarHBondContact O-CG 3.46Å; D39-M43 PolarHBondContact O-N 2.96Å; L40-M43 PolarHBondContact O-N 3.36Å; M43-S46 PolarHBondContact O-N 2.94Å; M43-A47 PolarHBondContact O-N 3.15Å
44R98.4Very high98.5Very high91 Ų9165.2 Ų65.234%0.34332%0.317SS..Hα-helixtrans-63.3-47.2177.8-175.654.2-176.2-100.210.8112.1L40 L41 K42 S46 A47 E48 L96 L238L40-R44 WeakPolarHBondContact O-CB 3.3Å; L40-R44 PolarHBondContact O-N 2.98Å; L41-R44 PolarHBondContact O-N 2.91Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 2.91Å; R44-S46 VanDerWaalsContact C-N 3.28Å; R44-S46 PolarHBondContact O-N 2.97Å; R44-A47 WeakPolarHBondContact O-CB 3.46Å; R44-A47 PolarHBondContact O-N 3.34Å; R44-A47 VanDerWaalsContact O-N 3.1Å; R44-E48 IonicContact CZ-OE1 3.87Å; R44-E48 IonicContact NE-OE1 3.93Å; R44-E48 PolarHBondContact NE-OE1 3.3Å; R44-E48 IonicContact NH2-OE1 2.62Å; R44-E48 PolarHBondContact NH2-OE1 3.3Å; R44-E48 WeakPolarHBondContact O-CG 3.5Å; R44-E48 PolarHBondContact O-N 3.49Å; R44-L96 HydrophobicContact CG-CD1 4.01Å; R44-L238 VanDerWaalsContact NH1-CD1 3.3Å
45A98.5Very high98.5Very high1 Ų166.1 Ų66.11%0.00832%0.322CS..Hα-helixtrans-58.1-39.9176.300000112.4L41 K42 A47 E49 S93 L96 K97L41-A45 WeakPolarHBondContact O-CB 3.44Å; L41-A45 PolarHBondContact O-N 2.87Å; K42-A45 PolarHBondContact O-N 3.34Å; A45-A47 VanDerWaalsContact C-N 3.35Å; A45-E49 WeakPolarHBondContact O-CB 3.41Å; A45-E49 PolarHBondContact O-N 3.48Å; A45-S93 VanDerWaalsContact O-CB 3.25Å; A45-S93 WeakPolarHBondContact O-CB 3.13Å; A45-S93 PolarHBondContact O-OG 2.93Å; A45-L96 HydrophobicContact CB-CB 3.67Å; A45-L96 HydrophobicContact CB-CD1 4.3Å; A45-K97 HydrophobicContact CB-CG 3.98Å
46S98.6Very high98.5Very high73 Ų7363.3 Ų63.351%0.5131%0.311SS..Hα-helixtrans-66.8-36.1176.8-172.60000112.5K42 M43 R44 K50K42-S46 PolarHBondContact O-N 3.26Å; M43-S46 PolarHBondContact O-N 2.94Å; R44-S46 VanDerWaalsContact C-N 3.28Å; R44-S46 PolarHBondContact O-N 2.97Å; S46-K50 WeakPolarHBondContact O-CB 3.46Å; S46-K50 PolarHBondContact O-N 3.42Å; S46-K50 VanDerWaalsContact O-N 3.15Å
47A98.7Very high98.5Very high57 Ų5760 Ų6047%0.47130%0.296SS..Hα-helixtrans-66.6-47.7176.400000111.2M43 R44 A45 E49 K50 Y51M43-A47 PolarHBondContact O-N 3.15Å; R44-A47 WeakPolarHBondContact O-CB 3.46Å; R44-A47 PolarHBondContact O-N 3.34Å; R44-A47 VanDerWaalsContact O-N 3.1Å; A45-A47 VanDerWaalsContact C-N 3.35Å; A47-E49 VanDerWaalsContact C-N 3.33Å; A47-E49 PolarHBondContact O-N 2.88Å; A47-K50 PolarHBondContact O-N 3.39Å; A47-Y51 WeakPolarHBondContact O-CB 3.48Å; A47-Y51 PolarHBondContact O-N 3.38Å
48E98.5Very high98.5Very high16 Ų1663.4 Ų63.48%0.07531%0.312CS..Hα-helixtrans-59.6-42.3177.2-64.8-60.7165.200111.9R44 K50 Y51 G52 H89 L92 L96R44-E48 IonicContact CZ-OE1 3.87Å; R44-E48 IonicContact NE-OE1 3.93Å; R44-E48 PolarHBondContact NE-OE1 3.3Å; R44-E48 IonicContact NH2-OE1 2.62Å; R44-E48 PolarHBondContact NH2-OE1 3.3Å; R44-E48 WeakPolarHBondContact O-CG 3.5Å; R44-E48 PolarHBondContact O-N 3.49Å; E48-K50 PolarHBondContact O-N 3.02Å; E48-Y51 PolarHBondContact O-N 3.09Å; E48-G52 PolarHBondContact O-N 2.92Å; E48-H89 IonicContact OE2-CE1 2.71Å; E48-H89 IonicContact OE2-CG 3.59Å; E48-H89 IonicContact OE2-ND1 3.85Å; E48-H89 PolarHBondContact OE2-ND1 3.37Å; E48-L92 HydrophobicContact CG-CD2 4.08Å; E48-L92 HydrophobicContact CG-CG 4.43Å; E48-L96 HydrophobicContact CG-CD1 4.11Å
49E98.7Very high98.5Very high47 Ų4763.3 Ų63.322%0.2231%0.313CS..Hα-helixtrans-62.6-42.9177.3-171.6174.9-176.100112.2A45 A47 K53 S93 K97A45-E49 WeakPolarHBondContact O-CB 3.41Å; A45-E49 PolarHBondContact O-N 3.48Å; A47-E49 VanDerWaalsContact C-N 3.33Å; A47-E49 PolarHBondContact O-N 2.88Å; E49-K53 HydrophobicContact CG-CD 4.21Å; E49-K53 WeakPolarHBondContact O-CB 3.4Å; E49-K53 VanDerWaalsContact O-CG 3.3Å; E49-K53 WeakPolarHBondContact O-CG 3.44Å; E49-K53 PolarHBondContact O-N 3.25Å; E49-K53 WeakPolarHBondContact OE1-CE 3.47Å; E49-K53 IonicContact OE1-NZ 3.21Å; E49-K53 PolarHBondContact OE1-NZ 3.17Å; E49-S93 WeakPolarHBondContact CB-OG 3.24Å; E49-K97 IonicContact OE1-NZ 3.96Å; E49-K97 IonicContact OE2-NZ 3.29Å; E49-K97 PolarHBondContact OE2-NZ 2.91Å
50K98.8Very high98.4Very high158 Ų15869 Ų6969%0.68733%0.331SS*.Hα-helixtrans-65.7-45.2179.4-175.4-179.3176.5-174.70110.5S46 A47 E48 E54S46-K50 WeakPolarHBondContact O-CB 3.46Å; S46-K50 PolarHBondContact O-N 3.42Å; S46-K50 VanDerWaalsContact O-N 3.15Å; A47-K50 PolarHBondContact O-N 3.39Å; E48-K50 PolarHBondContact O-N 3.02Å; K50-E54 PolarHBondContact O-N 2.91Å; K50-E54 VanDerWaalsContact O-N 3.11Å
51Y98.8Very high98.3Very high117 Ų11772.7 Ų72.746%0.45934%0.343SS..Hα-helixtrans-60-51.4177.7179.8-117000111.4A47 E48 K53 E54 L55 H89A47-Y51 WeakPolarHBondContact O-CB 3.48Å; A47-Y51 PolarHBondContact O-N 3.38Å; E48-Y51 PolarHBondContact O-N 3.09Å; Y51-K53 PolarHBondContact O-N 3.45Å; Y51-E54 PolarHBondContact O-N 2.86Å; Y51-E54 VanDerWaalsContact O-N 3.1Å; Y51-L55 HydrophobicContact CD1-CD1 4.1Å; Y51-L55 HydrophobicContact CE1-CD1 3.53Å; Y51-L55 HydrophobicContact CE1-CG 4.26Å; Y51-L55 HydrophobicContact CE2-CD1 4.25Å; Y51-L55 HydrophobicContact CE2-CD2 4.17Å; Y51-L55 HydrophobicContact CE2-CG 4.15Å; Y51-L55 PolarHBondContact O-N 3.12Å; Y51-H89 HydrophobicContact CD1-CB 4.32Å; Y51-H89 AromaticContact CD1-CD2 3.96Å; Y51-H89 AromaticContact CD1-CE1 3.83Å; Y51-H89 AromaticContact CD1-CG 3.75Å; Y51-H89 AromaticContact CD1-ND1 3.66Å; Y51-H89 AromaticContact CD1-NE2 3.99Å; Y51-H89 AromaticContact CE1-CD2 3.8Å; Y51-H89 AromaticContact CE1-CE1 3.72Å; Y51-H89 AromaticContact CE1-NE2 3.56Å
52G98.8Very high98.2Very high0 Ų074.4 Ų74.40%036%0.357CS..Hα-helixtrans-61-41.5-179.800000113.5E48 E54 L55 V56 G86E48-G52 PolarHBondContact O-N 2.92Å; G52-E54 VanDerWaalsContact C-N 3.31Å; G52-E54 PolarHBondContact O-N 3.38Å; G52-L55 PolarHBondContact O-N 3.19Å; G52-V56 WeakPolarHBondContact O-CG2 3.45Å; G52-V56 PolarHBondContact O-N 2.79Å; G52-V56 VanDerWaalsContact O-N 3.08Å; G52-G86 WeakPolarHBondContact CA-O 3.46Å; G52-G86 WeakPolarHBondContact O-CA 3.36Å
53K98.8Very high97.9Very high109 Ų10970.8 Ų70.847%0.47436%0.355SS..Hα-helixtrans-61.6-38.2174.6-76.3176.5-175.9170.50112.7E49 Y51 S57 I90E49-K53 HydrophobicContact CG-CD 4.21Å; E49-K53 WeakPolarHBondContact O-CB 3.4Å; E49-K53 VanDerWaalsContact O-CG 3.3Å; E49-K53 WeakPolarHBondContact O-CG 3.44Å; E49-K53 PolarHBondContact O-N 3.25Å; E49-K53 WeakPolarHBondContact OE1-CE 3.47Å; E49-K53 IonicContact OE1-NZ 3.21Å; E49-K53 PolarHBondContact OE1-NZ 3.17Å; Y51-K53 PolarHBondContact O-N 3.45Å; K53-S57 WeakPolarHBondContact O-CB 3.45Å; K53-S57 PolarHBondContact O-N 3.41Å; K53-I90 HydrophobicContact CG-CD1 3.99Å; K53-I90 HydrophobicContact CG-CG1 4.33Å
54E98.8Very high97.4Very high109 Ų10965.5 Ų65.551%0.50934%0.335SS..Hα-helixtrans-70.7-39.2179.7-154.763-164.400111.4K50 Y51 G52 S57 I58K50-E54 PolarHBondContact O-N 2.91Å; K50-E54 VanDerWaalsContact O-N 3.11Å; Y51-E54 PolarHBondContact O-N 2.86Å; Y51-E54 VanDerWaalsContact O-N 3.1Å; G52-E54 VanDerWaalsContact C-N 3.31Å; G52-E54 PolarHBondContact O-N 3.38Å; E54-S57 VanDerWaalsContact O-CB 3.26Å; E54-S57 WeakPolarHBondContact O-CB 3.11Å; E54-S57 PolarHBondContact O-N 3.46Å; E54-S57 VanDerWaalsContact O-N 3.16Å; E54-I58 VanDerWaalsContact O-CG1 3.31Å; E54-I58 WeakPolarHBondContact O-CG1 3.19Å; E54-I58 PolarHBondContact O-N 3.44Å
55L98.8Very high97.1Very high19 Ų1965.6 Ų65.610%0.09935%0.35CS..Hα-helixtrans-59.7-46.8172.9-70.2-178.1000112.3Y51 G52 S57 I58 A59 I82 I85Y51-L55 HydrophobicContact CD1-CD1 4.1Å; Y51-L55 HydrophobicContact CE1-CD1 3.53Å; Y51-L55 HydrophobicContact CE1-CG 4.26Å; Y51-L55 HydrophobicContact CE2-CD1 4.25Å; Y51-L55 HydrophobicContact CE2-CD2 4.17Å; Y51-L55 HydrophobicContact CE2-CG 4.15Å; Y51-L55 PolarHBondContact O-N 3.12Å; G52-L55 PolarHBondContact O-N 3.19Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 3Å; L55-I58 WeakPolarHBondContact O-CB 3.49Å; L55-I58 PolarHBondContact O-N 2.81Å; L55-I58 VanDerWaalsContact O-N 3.15Å; L55-A59 PolarHBondContact O-N 3.34Å; L55-I82 HydrophobicContact CB-CG2 4.28Å; L55-I82 HydrophobicContact CD2-CG2 4.33Å; L55-I85 HydrophobicContact CD1-CB 4.4Å; L55-I85 HydrophobicContact CD1-CG2 3.65Å
56V98.7Very high96.8Very high11 Ų1171.7 Ų71.77%0.06739%0.387CS..Hα-helixtrans-59.3-40174.8173.40000111.1G52 R60 E83 I90G52-V56 WeakPolarHBondContact O-CG2 3.45Å; G52-V56 PolarHBondContact O-N 2.79Å; G52-V56 VanDerWaalsContact O-N 3.08Å; V56-R60 VanDerWaalsContact CG1-CZ 3.46Å; V56-R60 WeakPolarHBondContact O-CG 3.43Å; V56-R60 PolarHBondContact O-N 3.46Å; V56-R60 VanDerWaalsContact O-N 3.14Å; V56-E83 HydrophobicContact CG1-CG 4.26Å; V56-E83 HydrophobicContact CG2-CG 4.26Å; V56-I90 HydrophobicContact CG2-CD1 4.31Å
57S98.5Very high96.7Very high31 Ų3171.6 Ų71.622%0.21738%0.378CS..Hα-helixtrans-62.2-43.2176-166.30000111.9K53 E54 L55 K61K53-S57 WeakPolarHBondContact O-CB 3.45Å; K53-S57 PolarHBondContact O-N 3.41Å; E54-S57 VanDerWaalsContact O-CB 3.26Å; E54-S57 WeakPolarHBondContact O-CB 3.11Å; E54-S57 PolarHBondContact O-N 3.46Å; E54-S57 VanDerWaalsContact O-N 3.16Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 3Å; S57-K61 WeakPolarHBondContact O-CB 3.28Å; S57-K61 VanDerWaalsContact O-CG 3.3Å; S57-K61 WeakPolarHBondContact O-CG 3.26Å; S57-K61 PolarHBondContact O-N 2.81Å; S57-K61 VanDerWaalsContact O-N 3.11Å; S57-K61 PolarHBondContact OG-NZ 2.67Å
58I98.3Very high96.4Very high86 Ų8670.6 Ų70.644%0.44137%0.365SS..Hα-helixtrans-61.9-51.8177.1-70.3163.6000110.2E54 L55 R60 K61 A62E54-I58 VanDerWaalsContact O-CG1 3.31Å; E54-I58 WeakPolarHBondContact O-CG1 3.19Å; E54-I58 PolarHBondContact O-N 3.44Å; L55-I58 WeakPolarHBondContact O-CB 3.49Å; L55-I58 PolarHBondContact O-N 2.81Å; L55-I58 VanDerWaalsContact O-N 3.15Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.04Å; I58-K61 PolarHBondContact O-N 2.81Å; I58-K61 VanDerWaalsContact O-N 3.17Å; I58-A62 WeakPolarHBondContact O-CB 3.22Å; I58-A62 PolarHBondContact O-N 2.87Å
59A97.9Very high96.3Very high8 Ų871.7 Ų71.77%0.06637%0.374CS..Hα-helixtrans-56-43.1-179.600000112.5L55 K79 I82 E83L55-A59 PolarHBondContact O-N 3.34Å; A59-K79 WeakPolarHBondContact CB-O 3.46Å; A59-I82 HydrophobicContact CB-CB 4.24Å; A59-I82 HydrophobicContact CB-CG2 4.04Å; A59-E83 HydrophobicContact CB-CB 3.71Å
60R96.1Very high96.2Very high175 Ų17570.9 Ų70.966%0.6637%0.372SS*.Hα-helixtrans-73.4-27-179.6-69.9176.5-177.51754.1114.4V56 I58 E83V56-R60 VanDerWaalsContact CG1-CZ 3.46Å; V56-R60 WeakPolarHBondContact O-CG 3.43Å; V56-R60 PolarHBondContact O-N 3.46Å; V56-R60 VanDerWaalsContact O-N 3.14Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.04Å; R60-E83 IonicContact CZ-OE1 2.8Å; R60-E83 VanDerWaalsContact CZ-OE1 3.29Å; R60-E83 IonicContact NE-OE1 2.7Å; R60-E83 PolarHBondContact NE-OE1 3.4Å; R60-E83 IonicContact NH2-OE1 2.92Å; R60-E83 PolarHBondContact NH2-OE1 3.03Å
61K96.8Very high96.1Very high160 Ų16066.7 Ų66.770%0.69636%0.357SS*.Hα-helixtrans-92.1-15.2179.3-71.2172.2-179163.80113S57 I58 G63S57-K61 WeakPolarHBondContact O-CB 3.28Å; S57-K61 VanDerWaalsContact O-CG 3.3Å; S57-K61 WeakPolarHBondContact O-CG 3.26Å; S57-K61 PolarHBondContact O-N 2.81Å; S57-K61 VanDerWaalsContact O-N 3.11Å; S57-K61 PolarHBondContact OG-NZ 2.67Å; I58-K61 PolarHBondContact O-N 2.81Å; I58-K61 VanDerWaalsContact O-N 3.17Å; K61-G63 PolarHBondContact O-N 3.15Å
62A94.6Very high96Very high37 Ų3765.9 Ų65.931%0.30635%0.353SS..  trans-60.6134.517800000110.6I58 K79I58-A62 WeakPolarHBondContact O-CB 3.22Å; I58-A62 PolarHBondContact O-N 2.87Å; A62-K79 HydrophobicContact CB-CD 3.56Å; A62-K79 HydrophobicContact CB-CG 3.8Å
63G92.1Very high95.9Very high47 Ų4768.3 Ų68.349%0.48537%0.373SS..  trans-76.9-134.2-176.300000113.8K61 F75 K79K61-G63 PolarHBondContact O-N 3.15Å; G63-F75 WeakPolarHBondContact O-CE1 3.32Å; G63-K79 PolarHBondContact O-NZ 3.23Å; G63-K79 VanDerWaalsContact O-NZ 3.1Å
64G89.3Confident95.9Very high23 Ų2363.3 Ų63.324%0.23735%0.352CS..  trans8310.1176.400000115.7T66 E67G64-T66 PolarHBondContact O-N 3.42Å; G64-E67 WeakPolarHBondContact O-CB 3.28Å; G64-E67 PolarHBondContact O-N 3.18Å; G64-E67 VanDerWaalsContact O-N 3.09Å
65S90.4Very high95.8Very high94 Ų9461.9 Ų61.966%0.65734%0.344SS*.THydrogen-bonded Turntrans-64.3-19.5176.355.60000113.9
66T93.4Very high95.8Very high128 Ų12863.4 Ų63.479%0.78535%0.352SS*.THydrogen-bonded Turntrans-80.7-18.8176.154.70000113.2G64G64-T66 PolarHBondContact O-N 3.42Å
67E95.8Very high95.7Very high72 Ų7265.3 Ų65.334%0.33636%0.36SS..  trans-72.5155-179.6-163.253.8-86.100110.7G64 L71 R72G64-E67 WeakPolarHBondContact O-CB 3.28Å; G64-E67 PolarHBondContact O-N 3.18Å; G64-E67 VanDerWaalsContact O-N 3.09Å; E67-L71 HydrophobicContact CG-CB 4.3Å; E67-L71 HydrophobicContact CG-CD2 4.19Å; E67-L71 HydrophobicContact CG-CG 4.04Å; E67-R72 HydrophobicContact CB-CB 4.12Å; E67-R72 HydrophobicContact CB-CG 4.39Å; E67-R72 HydrophobicContact CG-CB 4.09Å; E67-R72 VanDerWaalsContact O-CD 3.24Å; E67-R72 WeakPolarHBondContact O-CD 3.48Å; E67-R72 WeakPolarHBondContact O-CG 3.39Å; E67-R72 PolarHBondContact O-NH1 2.97Å; E67-R72 VanDerWaalsContact O-NH1 3.16Å
68I93.9Very high95.7Very high35 Ų3567 Ų6718%0.17937%0.365CS..  trans-126.6166.9-175.162.9170.7000113R72 F268I68-R72 VanDerWaalsContact C-CB 3.4Å; I68-R72 VanDerWaalsContact O-CB 3.29Å; I68-R72 WeakPolarHBondContact O-CB 3.29Å; I68-R72 PolarHBondContact O-N 2.52Å; I68-R72 VanDerWaalsContact O-N 3.1Å; I68-F268 HydrophobicContact CD1-CB 3.83Å; I68-F268 HydrophobicContact CD1-CD2 4.1Å; I68-F268 HydrophobicContact CD1-CG 4.48Å
69C95.2Very high95.7Very high40 Ų4064.5 Ų64.527%0.2735%0.352SS..Hα-helixtrans51.4-135.4167.7-1530000115R72 A73 D264 N267C69-R72 PolarHBondContact O-N 2.76Å; C69-A73 PolarHBondContact O-N 3Å; C69-D264 HydrophobicContact CB-CB 4.37Å; C69-D264 VanDerWaalsContact CB-OD1 3.22Å; C69-D264 WeakPolarHBondContact CB-OD1 3.33Å; C69-D264 PolarHBondContact SG-OD1 3.03Å; C69-D264 VanDerWaalsContact SG-OD1 3.39Å; C69-N267 HydrophobicContact CB-CB 3.96Å
70T97Very high95.7Very high29 Ų2967.2 Ų67.218%0.17837%0.367CS..Hα-helixtrans-72.4-37.5-169.567.80000112.2R72 A73 S74 D260 T263 D264T70-R72 VanDerWaalsContact C-N 3.33Å; T70-R72 PolarHBondContact O-N 2.59Å; T70-A73 WeakPolarHBondContact O-CB 3.41Å; T70-A73 PolarHBondContact O-N 3.18Å; T70-A73 VanDerWaalsContact O-N 3.13Å; T70-S74 PolarHBondContact O-N 2.87Å; T70-S74 VanDerWaalsContact O-N 3.08Å; T70-S74 PolarHBondContact O-OG 2.76Å; T70-D260 PolarHBondContact OG1-N 3.16Å; T70-T263 HydrophobicContact CG2-CG2 4.02Å; T70-D264 WeakPolarHBondContact CA-OD1 3.31Å; T70-D264 VanDerWaalsContact CB-OD1 3.27Å; T70-D264 WeakPolarHBondContact CB-OD1 3.47Å; T70-D264 WeakPolarHBondContact CG2-OD1 3.26Å; T70-D264 PolarHBondContact N-OD1 2.69Å; T70-D264 PolarHBondContact N-OD2 2.92Å; T70-D264 VanDerWaalsContact OG1-CG 3.25Å; T70-D264 PolarHBondContact OG1-OD1 3.41Å; T70-D264 PolarHBondContact OG1-OD2 2.9Å
71L96.8Very high95.8Very high70 Ų7059.5 Ų59.537%0.36634%0.339SS..Hα-helixtrans-64.3-38.6175.2-178.858.8000112.1E67 A73 S74 F75 D264E67-L71 HydrophobicContact CG-CB 4.3Å; E67-L71 HydrophobicContact CG-CD2 4.19Å; E67-L71 HydrophobicContact CG-CG 4.04Å; L71-A73 VanDerWaalsContact C-N 3.32Å; L71-A73 PolarHBondContact O-N 3.36Å; L71-S74 PolarHBondContact O-N 2.75Å; L71-F75 PolarHBondContact O-N 2.8Å; L71-D264 VanDerWaalsContact CB-OD2 3.26Å; L71-D264 WeakPolarHBondContact CB-OD2 3.03Å; L71-D264 PolarHBondContact N-OD2 3.23Å
72R96.4Very high95.9Very high100 Ų10053.1 Ų53.138%0.37731%0.312SS..Hα-helixtrans-59.6-44.6172.7-175.4-161179128.7-8.1111.3E67 I68 C69 T70 S74 F75 D76E67-R72 HydrophobicContact CB-CB 4.12Å; E67-R72 HydrophobicContact CB-CG 4.39Å; E67-R72 HydrophobicContact CG-CB 4.09Å; E67-R72 VanDerWaalsContact O-CD 3.24Å; E67-R72 WeakPolarHBondContact O-CD 3.48Å; E67-R72 WeakPolarHBondContact O-CG 3.39Å; E67-R72 PolarHBondContact O-NH1 2.97Å; E67-R72 VanDerWaalsContact O-NH1 3.16Å; I68-R72 VanDerWaalsContact C-CB 3.4Å; I68-R72 VanDerWaalsContact O-CB 3.29Å; I68-R72 WeakPolarHBondContact O-CB 3.29Å; I68-R72 PolarHBondContact O-N 2.52Å; I68-R72 VanDerWaalsContact O-N 3.1Å; C69-R72 PolarHBondContact O-N 2.76Å; T70-R72 VanDerWaalsContact C-N 3.33Å; T70-R72 PolarHBondContact O-N 2.59Å; R72-S74 VanDerWaalsContact C-N 3.33Å; R72-S74 PolarHBondContact O-N 2.94Å; R72-F75 PolarHBondContact O-N 3.44Å; R72-D76 IonicContact NE-OD2 3.44Å; R72-D76 PolarHBondContact NE-OD2 3.13Å; R72-D76 WeakPolarHBondContact O-CB 3.47Å; R72-D76 PolarHBondContact O-N 3.47Å
73A97.2Very high96.1Very high52 Ų5253.9 Ų53.943%0.4331%0.309SS..Hα-helixtrans-59.8-44.4179.400000111.2C69 T70 L71 F75 D76 E77C69-A73 PolarHBondContact O-N 3Å; T70-A73 WeakPolarHBondContact O-CB 3.41Å; T70-A73 PolarHBondContact O-N 3.18Å; T70-A73 VanDerWaalsContact O-N 3.13Å; L71-A73 VanDerWaalsContact C-N 3.32Å; L71-A73 PolarHBondContact O-N 3.36Å; A73-F75 PolarHBondContact O-N 3.31Å; A73-D76 PolarHBondContact O-N 3.37Å; A73-E77 WeakPolarHBondContact O-CB 3.47Å; A73-E77 PolarHBondContact O-N 2.94Å
74S97.8Very high96.4Very high3 Ų354.7 Ų54.72%0.02130%0.303CS..Hα-helixtrans-65.3-37.6176.2-45.40000112.8T70 L71 R72 E77 M78 S255T70-S74 PolarHBondContact O-N 2.87Å; T70-S74 VanDerWaalsContact O-N 3.08Å; T70-S74 PolarHBondContact O-OG 2.76Å; L71-S74 PolarHBondContact O-N 2.75Å; R72-S74 VanDerWaalsContact C-N 3.33Å; R72-S74 PolarHBondContact O-N 2.94Å; S74-E77 PolarHBondContact O-N 2.95Å; S74-M78 PolarHBondContact O-N 3.41Å; S74-S255 WeakPolarHBondContact CA-OG 3.43Å; S74-S255 PolarHBondContact OG-O 2.94Å
75F97.6Very high96.9Very high80 Ų8053.7 Ų53.735%0.35129%0.292SS..Hα-helixtrans-71.3-37.1176.8-170.4-123.5000113G63 L71 R72 A73 E77 M78 K79G63-F75 WeakPolarHBondContact O-CE1 3.32Å; L71-F75 PolarHBondContact O-N 2.8Å; R72-F75 PolarHBondContact O-N 3.44Å; A73-F75 PolarHBondContact O-N 3.31Å; F75-E77 VanDerWaalsContact C-N 3.33Å; F75-M78 PolarHBondContact O-N 3.45Å; F75-K79 HydrophobicContact CE1-CD 4.28Å; F75-K79 PolarHBondContact O-N 2.94Å
76D97.4Very high97.3Very high50 Ų5049.2 Ų49.227%0.26726%0.26SS..Hα-helixtrans-66-36.1172.7-75.2-21.9000111.2R72 A73 K79 T80R72-D76 IonicContact NE-OD2 3.44Å; R72-D76 PolarHBondContact NE-OD2 3.13Å; R72-D76 WeakPolarHBondContact O-CB 3.47Å; R72-D76 PolarHBondContact O-N 3.47Å; A73-D76 PolarHBondContact O-N 3.37Å; D76-K79 PolarHBondContact O-N 3.26Å; D76-K79 WeakPolarHBondContact OD1-CE 3.37Å; D76-K79 IonicContact OD1-NZ 2.79Å; D76-K79 PolarHBondContact OD1-NZ 2.98Å; D76-T80 WeakPolarHBondContact O-CB 3.36Å; D76-T80 PolarHBondContact O-N 3.46Å; D76-T80 PolarHBondContact O-OG1 3.11Å
77E98Very high97.5Very high52 Ų5246.7 Ų46.724%0.24324%0.242CC..Hα-helixtrans-64-45.6173.1-174.260.7-156.900111.7A73 S74 F75 K79 T80 Q81A73-E77 WeakPolarHBondContact O-CB 3.47Å; A73-E77 PolarHBondContact O-N 2.94Å; S74-E77 PolarHBondContact O-N 2.95Å; F75-E77 VanDerWaalsContact C-N 3.33Å; E77-K79 VanDerWaalsContact C-N 3.31Å; E77-K79 PolarHBondContact O-N 2.79Å; E77-T80 WeakPolarHBondContact O-CB 3.17Å; E77-T80 PolarHBondContact O-N 3.13Å; E77-T80 VanDerWaalsContact O-N 3.1Å; E77-Q81 HydrophobicContact CG-CG 4.39Å; E77-Q81 WeakPolarHBondContact O-CG 3.25Å; E77-Q81 PolarHBondContact O-N 3.39Å; E77-Q81 WeakPolarHBondContact OE1-CG 3.46Å; E77-Q81 PolarHBondContact OE1-NE2 3.37Å
78M97.9Very high97.7Very high65 Ų6544.8 Ų44.832%0.3223%0.234SC..Hα-helixtrans-55.8-45.6175.4-179.758.7167.400111.8S74 F75 T80 Q81 I82 Y249 V252S74-M78 PolarHBondContact O-N 3.41Å; F75-M78 PolarHBondContact O-N 3.45Å; M78-T80 PolarHBondContact O-N 3.13Å; M78-Q81 PolarHBondContact O-N 2.95Å; M78-I82 HydrophobicContact CE-CD1 4.04Å; M78-I82 HydrophobicContact CE-CG1 4.41Å; M78-I82 HydrophobicContact CG-CD1 4.11Å; M78-I82 VanDerWaalsContact O-CG1 3.26Å; M78-I82 WeakPolarHBondContact O-CG1 3.38Å; M78-I82 PolarHBondContact O-N 3.45Å; M78-I82 HydrophobicContact SD-CD1 4.26Å; M78-I82 HydrophobicContact SD-CG1 4.38Å; M78-Y249 HydrophobicContact CE-CE1 4.16Å; M78-Y249 HydrophobicContact SD-CE1 4.29Å; M78-V252 HydrophobicContact CB-CG1 4.01Å; M78-V252 HydrophobicContact CG-CG1 4.47Å; M78-V252 HydrophobicContact SD-CB 4.48Å; M78-V252 HydrophobicContact SD-CG1 3.85Å; M78-V252 HydrophobicContact SD-CG2 3.99Å
79K98.1Very high97.9Very high35 Ų3543.8 Ų43.815%0.15223%0.229CC..Hα-helixtrans-62.2-43.6176-70.2-179.5-64.5-176.30111.8A59 A62 G63 F75 D76 E77 Q81 I82 E83A59-K79 WeakPolarHBondContact CB-O 3.46Å; A62-K79 HydrophobicContact CB-CD 3.56Å; A62-K79 HydrophobicContact CB-CG 3.8Å; G63-K79 PolarHBondContact O-NZ 3.23Å; G63-K79 VanDerWaalsContact O-NZ 3.1Å; F75-K79 HydrophobicContact CE1-CD 4.28Å; F75-K79 PolarHBondContact O-N 2.94Å; D76-K79 PolarHBondContact O-N 3.26Å; D76-K79 WeakPolarHBondContact OD1-CE 3.37Å; D76-K79 IonicContact OD1-NZ 2.79Å; D76-K79 PolarHBondContact OD1-NZ 2.98Å; E77-K79 VanDerWaalsContact C-N 3.31Å; E77-K79 PolarHBondContact O-N 2.79Å; K79-Q81 PolarHBondContact O-N 3Å; K79-I82 PolarHBondContact O-N 3.23Å; K79-E83 PolarHBondContact O-N 3.26Å
80T98.3Very high98.1Very high64 Ų6444.5 Ų44.539%0.39323%0.229SC..Hα-helixtrans-59.8-46.3178.6-59.70000111.1D76 E77 M78 E83 N84D76-T80 WeakPolarHBondContact O-CB 3.36Å; D76-T80 PolarHBondContact O-N 3.46Å; D76-T80 PolarHBondContact O-OG1 3.11Å; E77-T80 WeakPolarHBondContact O-CB 3.17Å; E77-T80 PolarHBondContact O-N 3.13Å; E77-T80 VanDerWaalsContact O-N 3.1Å; M78-T80 PolarHBondContact O-N 3.13Å; T80-E83 PolarHBondContact O-N 2.98Å; T80-N84 VanDerWaalsContact O-CG 3.24Å; T80-N84 PolarHBondContact O-N 3.01Å; T80-N84 PolarHBondContact O-ND2 3.19Å
81Q98.6Very high98.1Very high14 Ų1447.7 Ų47.77%0.06524%0.242CC..Hα-helixtrans-69.6-35.8-179.9-63-58.6-21.500112.6E77 M78 K79 E83 N84 I85 C248 N251 V252E77-Q81 HydrophobicContact CG-CG 4.39Å; E77-Q81 WeakPolarHBondContact O-CG 3.25Å; E77-Q81 PolarHBondContact O-N 3.39Å; E77-Q81 WeakPolarHBondContact OE1-CG 3.46Å; E77-Q81 PolarHBondContact OE1-NE2 3.37Å; M78-Q81 PolarHBondContact O-N 2.95Å; K79-Q81 PolarHBondContact O-N 3Å; Q81-E83 VanDerWaalsContact C-N 3.34Å; Q81-E83 PolarHBondContact O-N 3.06Å; Q81-N84 PolarHBondContact O-N 2.74Å; Q81-N84 PolarHBondContact OE1-ND2 2.94Å; Q81-I85 VanDerWaalsContact O-CG1 3.29Å; Q81-I85 WeakPolarHBondContact O-CG1 3.28Å; Q81-I85 PolarHBondContact O-N 3.03Å; Q81-C248 HydrophobicContact CB-CB 4.3Å; Q81-C248 WeakPolarHBondContact CG-O 3.48Å; Q81-C248 PolarHBondContact OE1-SG 3.09Å; Q81-N251 HydrophobicContact CG-CB 4.36Å; Q81-V252 HydrophobicContact CB-CG2 3.68Å; Q81-V252 HydrophobicContact CG-CG2 3.63Å
82I98.6Very high98.2Very high26 Ų2644.6 Ų44.613%0.13323%0.226CC..Hα-helixtrans-60.7-42.8170.6-66.7166.1000111.2L55 A59 M78 K79 G86L55-I82 HydrophobicContact CB-CG2 4.28Å; L55-I82 HydrophobicContact CD2-CG2 4.33Å; A59-I82 HydrophobicContact CB-CB 4.24Å; A59-I82 HydrophobicContact CB-CG2 4.04Å; M78-I82 HydrophobicContact CE-CD1 4.04Å; M78-I82 HydrophobicContact CE-CG1 4.41Å; M78-I82 HydrophobicContact CG-CD1 4.11Å; M78-I82 VanDerWaalsContact O-CG1 3.26Å; M78-I82 WeakPolarHBondContact O-CG1 3.38Å; M78-I82 PolarHBondContact O-N 3.45Å; M78-I82 HydrophobicContact SD-CD1 4.26Å; M78-I82 HydrophobicContact SD-CG1 4.38Å; K79-I82 PolarHBondContact O-N 3.23Å; I82-G86 PolarHBondContact O-N 3.36Å
83E98.5Very high98.3Very high53 Ų5339.9 Ų39.925%0.24821%0.208CC..Hα-helixtrans-64.4-41176.2-174.2163.5-161.100111.4V56 A59 R60 K79 T80 Q81 G86 N87V56-E83 HydrophobicContact CG1-CG 4.26Å; V56-E83 HydrophobicContact CG2-CG 4.26Å; A59-E83 HydrophobicContact CB-CB 3.71Å; R60-E83 IonicContact CZ-OE1 2.8Å; R60-E83 VanDerWaalsContact CZ-OE1 3.29Å; R60-E83 IonicContact NE-OE1 2.7Å; R60-E83 PolarHBondContact NE-OE1 3.4Å; R60-E83 IonicContact NH2-OE1 2.92Å; R60-E83 PolarHBondContact NH2-OE1 3.03Å; K79-E83 PolarHBondContact O-N 3.26Å; T80-E83 PolarHBondContact O-N 2.98Å; Q81-E83 VanDerWaalsContact C-N 3.34Å; Q81-E83 PolarHBondContact O-N 3.06Å; E83-G86 PolarHBondContact O-N 2.87Å; E83-N87 PolarHBondContact O-N 3.02Å; E83-N87 PolarHBondContact O-ND2 2.95Å
84N98.6Very high98.3Very high64 Ų6439 Ų3934%0.34220%0.204SC..Hα-helixtrans-60.7-49.6176.3-70.5-21.5000111.9T80 Q81 G86 N87 L88T80-N84 VanDerWaalsContact O-CG 3.24Å; T80-N84 PolarHBondContact O-N 3.01Å; T80-N84 PolarHBondContact O-ND2 3.19Å; Q81-N84 PolarHBondContact O-N 2.74Å; Q81-N84 PolarHBondContact OE1-ND2 2.94Å; N84-G86 VanDerWaalsContact C-N 3.29Å; N84-G86 PolarHBondContact O-N 3.33Å; N84-N87 PolarHBondContact O-N 3.29Å; N84-N87 VanDerWaalsContact O-N 3.12Å; N84-L88 WeakPolarHBondContact O-CG 3.42Å; N84-L88 PolarHBondContact O-N 3.46Å
85I98.8Very high98.3Very high2 Ų242.9 Ų42.91%0.0122%0.221CC..Hα-helixtrans-56.3-47.1175-67.6166.7000109.7L55 Q81 N87 L88 H89 C248 Y249L55-I85 HydrophobicContact CD1-CB 4.4Å; L55-I85 HydrophobicContact CD1-CG2 3.65Å; Q81-I85 VanDerWaalsContact O-CG1 3.29Å; Q81-I85 WeakPolarHBondContact O-CG1 3.28Å; Q81-I85 PolarHBondContact O-N 3.03Å; I85-N87 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 3.22Å; I85-L88 WeakPolarHBondContact O-CB 3.34Å; I85-L88 PolarHBondContact O-N 3.49Å; I85-L88 VanDerWaalsContact O-N 3.09Å; I85-H89 PolarHBondContact O-CD2 3.09Å; I85-H89 VanDerWaalsContact O-CD2 3.29Å; I85-H89 PolarHBondContact O-N 3.49Å; I85-C248 HydrophobicContact CD1-CB 3.83Å; I85-C248 HydrophobicContact CG1-CB 3.75Å; I85-Y249 HydrophobicContact CD1-CD2 4.13Å; I85-Y249 HydrophobicContact CD1-CE1 4.01Å; I85-Y249 HydrophobicContact CD1-CE2 3.51Å; I85-Y249 VanDerWaalsContact CD1-CZ 3.43Å
86G98.8Very high98.3Very high0 Ų039.1 Ų39.10%020%0.204CC..Hα-helixtrans-55.7-43.7176.300000113.5G52 I82 E83 N84 H89 I90G52-G86 WeakPolarHBondContact CA-O 3.46Å; G52-G86 WeakPolarHBondContact O-CA 3.36Å; I82-G86 PolarHBondContact O-N 3.36Å; E83-G86 PolarHBondContact O-N 2.87Å; N84-G86 VanDerWaalsContact C-N 3.29Å; N84-G86 PolarHBondContact O-N 3.33Å; G86-H89 PolarHBondContact O-N 3.18Å; G86-I90 WeakPolarHBondContact O-CG1 3.22Å; G86-I90 PolarHBondContact O-N 3.39Å; G86-I90 VanDerWaalsContact O-N 3.12Å
87N98.7Very high98.4Very high74 Ų7441.2 Ų41.240%0.39621%0.211SC..Hα-helixtrans-67-37.2175.7-71.6-44.9000112.8E83 N84 I85 I90 Q91E83-N87 PolarHBondContact O-N 3.02Å; E83-N87 PolarHBondContact O-ND2 2.95Å; N84-N87 PolarHBondContact O-N 3.29Å; N84-N87 VanDerWaalsContact O-N 3.12Å; I85-N87 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 3.22Å; N87-I90 PolarHBondContact O-N 2.71Å; N87-Q91 PolarHBondContact O-N 3.1Å
88L98.6Very high98.3Very high33 Ų3343.1 Ų43.117%0.17322%0.22CC..Hα-helixtrans-62.9-44175.2-69.8172000111.6N84 I85 I90 Q91 L92 Q241 K244N84-L88 WeakPolarHBondContact O-CG 3.42Å; N84-L88 PolarHBondContact O-N 3.46Å; I85-L88 WeakPolarHBondContact O-CB 3.34Å; I85-L88 PolarHBondContact O-N 3.49Å; I85-L88 VanDerWaalsContact O-N 3.09Å; L88-I90 VanDerWaalsContact C-N 3.34Å; L88-I90 PolarHBondContact O-N 3.49Å; L88-Q91 WeakPolarHBondContact O-CB 3.36Å; L88-Q91 PolarHBondContact O-N 3.22Å; L88-Q91 VanDerWaalsContact O-N 3.13Å; L88-L92 PolarHBondContact O-N 3.28Å; L88-Q241 VanDerWaalsContact CB-NE2 3.3Å; L88-K244 HydrophobicContact CD1-CB 3.86Å; L88-K244 HydrophobicContact CD1-CD 4.2Å; L88-K244 HydrophobicContact CD2-CD 4.01Å
89H98.7Very high98.2Very high14 Ų1441.5 Ų41.57%0.06521%0.212CC..Hα-helixtrans-64.2-36.1174.7-80.2-87.2000112.9E48 Y51 I85 G86 Q91 L92 S93 D245E48-H89 IonicContact OE2-CE1 2.71Å; E48-H89 IonicContact OE2-CG 3.59Å; E48-H89 IonicContact OE2-ND1 3.85Å; E48-H89 PolarHBondContact OE2-ND1 3.37Å; Y51-H89 HydrophobicContact CD1-CB 4.32Å; Y51-H89 AromaticContact CD1-CD2 3.96Å; Y51-H89 AromaticContact CD1-CE1 3.83Å; Y51-H89 AromaticContact CD1-CG 3.75Å; Y51-H89 AromaticContact CD1-ND1 3.66Å; Y51-H89 AromaticContact CD1-NE2 3.99Å; Y51-H89 AromaticContact CE1-CD2 3.8Å; Y51-H89 AromaticContact CE1-CE1 3.72Å; Y51-H89 AromaticContact CE1-NE2 3.56Å; I85-H89 PolarHBondContact O-CD2 3.09Å; I85-H89 VanDerWaalsContact O-CD2 3.29Å; I85-H89 PolarHBondContact O-N 3.49Å; G86-H89 PolarHBondContact O-N 3.18Å; H89-Q91 VanDerWaalsContact C-N 3.34Å; H89-L92 PolarHBondContact O-N 2.86Å; H89-S93 PolarHBondContact O-N 3.3Å; H89-D245 IonicContact NE2-OD1 3.75Å; H89-D245 IonicContact NE2-OD2 2.69Å; H89-D245 PolarHBondContact NE2-OD2 2.99Å
90I98.8Very high98.2Very high55 Ų5540.7 Ų40.728%0.28221%0.209SC..Hα-helixtrans-63.6-41.9172-67.9164.8000110.6K53 V56 G86 N87 L88 S93 G94K53-I90 HydrophobicContact CG-CD1 3.99Å; K53-I90 HydrophobicContact CG-CG1 4.33Å; V56-I90 HydrophobicContact CG2-CD1 4.31Å; G86-I90 WeakPolarHBondContact O-CG1 3.22Å; G86-I90 PolarHBondContact O-N 3.39Å; G86-I90 VanDerWaalsContact O-N 3.12Å; N87-I90 PolarHBondContact O-N 2.71Å; L88-I90 VanDerWaalsContact C-N 3.34Å; L88-I90 PolarHBondContact O-N 3.49Å; I90-S93 WeakPolarHBondContact O-CB 3.4Å; I90-S93 PolarHBondContact O-N 2.82Å; I90-G94 PolarHBondContact O-N 2.85Å; I90-G94 VanDerWaalsContact O-N 3.14Å
91Q98.4Very high98.2Very high95 Ų9543.6 Ų43.644%0.44422%0.216SC..Hα-helixtrans-64-44.3176.4-169.3-173.117.800111.7N87 L88 H89 S93 G94 F95N87-Q91 PolarHBondContact O-N 3.1Å; L88-Q91 WeakPolarHBondContact O-CB 3.36Å; L88-Q91 PolarHBondContact O-N 3.22Å; L88-Q91 VanDerWaalsContact O-N 3.13Å; H89-Q91 VanDerWaalsContact C-N 3.34Å; Q91-S93 VanDerWaalsContact C-N 3.31Å; Q91-S93 PolarHBondContact O-N 2.95Å; Q91-G94 WeakPolarHBondContact O-CA 3.38Å; Q91-G94 PolarHBondContact O-N 2.85Å; Q91-F95 HydrophobicContact CG-CD2 4.23Å; Q91-F95 HydrophobicContact CG-CE2 3.62Å; Q91-F95 HydrophobicContact CG-CZ 4.11Å; Q91-F95 WeakPolarHBondContact O-CD2 3.38Å; Q91-F95 PolarHBondContact O-N 2.86Å
92L98.3Very high98.1Very high6 Ų648.7 Ų48.73%0.03124%0.235CC..Hα-helixtrans-56.1-45.2174.2172.862.1000111.4E48 L88 H89 G94 F95 L96 Q237 L238 Q241E48-L92 HydrophobicContact CG-CD2 4.08Å; E48-L92 HydrophobicContact CG-CG 4.43Å; L88-L92 PolarHBondContact O-N 3.28Å; H89-L92 PolarHBondContact O-N 2.86Å; L92-G94 VanDerWaalsContact C-N 3.26Å; L92-G94 PolarHBondContact O-N 3Å; L92-F95 PolarHBondContact O-N 2.97Å; L92-F95 VanDerWaalsContact O-N 3.15Å; L92-L96 HydrophobicContact CD1-CD1 4.37Å; L92-L96 HydrophobicContact CD1-CG 4.25Å; L92-L96 HydrophobicContact CG-CD1 4.22Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; L92-L96 PolarHBondContact O-N 3.18Å; L92-Q237 HydrophobicContact CD1-CB 3.75Å; L92-L238 HydrophobicContact CD2-CD2 3.85Å; L92-Q241 HydrophobicContact CD2-CB 4.15Å; L92-Q241 HydrophobicContact CD2-CG 4.07Å
93S98.6Very high98.1Very high1 Ų147.7 Ų47.71%0.00723%0.23CC..Hα-helixtrans-56.3-40.8172.7176.70000112.4A45 E49 H89 I90 Q91 L96 K97A45-S93 VanDerWaalsContact O-CB 3.25Å; A45-S93 WeakPolarHBondContact O-CB 3.13Å; A45-S93 PolarHBondContact O-OG 2.93Å; E49-S93 WeakPolarHBondContact CB-OG 3.24Å; H89-S93 PolarHBondContact O-N 3.3Å; I90-S93 WeakPolarHBondContact O-CB 3.4Å; I90-S93 PolarHBondContact O-N 2.82Å; Q91-S93 VanDerWaalsContact C-N 3.31Å; Q91-S93 PolarHBondContact O-N 2.95Å; S93-L96 PolarHBondContact O-N 3.19Å; S93-K97 VanDerWaalsContact O-CG 3.31Å; S93-K97 WeakPolarHBondContact O-CG 3.39Å; S93-K97 PolarHBondContact O-N 2.98Å; S93-K97 WeakPolarHBondContact OG-CE 3.41Å
94G98.1Very high98.1Very high33 Ų3349.5 Ų49.534%0.3424%0.238SC..Hα-helixtrans-56.8-50.9173.100000112.5I90 Q91 L92 L96 K97 E98I90-G94 PolarHBondContact O-N 2.85Å; I90-G94 VanDerWaalsContact O-N 3.14Å; Q91-G94 WeakPolarHBondContact O-CA 3.38Å; Q91-G94 PolarHBondContact O-N 2.85Å; L92-G94 VanDerWaalsContact C-N 3.26Å; L92-G94 PolarHBondContact O-N 3Å; G94-L96 PolarHBondContact O-N 3.38Å; G94-K97 WeakPolarHBondContact O-CB 3.39Å; G94-K97 PolarHBondContact O-N 3.11Å; G94-E98 PolarHBondContact O-N 3.12Å; G94-E98 VanDerWaalsContact O-N 3.13Å
95F97.6Very high98Very high85 Ų8550.8 Ų50.837%0.37324%0.242SC..Hα-helixtrans-61.3-41.9177.5-67-51.8000112.7Q91 L92 K97 E98 E99Q91-F95 HydrophobicContact CG-CD2 4.23Å; Q91-F95 HydrophobicContact CG-CE2 3.62Å; Q91-F95 HydrophobicContact CG-CZ 4.11Å; Q91-F95 WeakPolarHBondContact O-CD2 3.38Å; Q91-F95 PolarHBondContact O-N 2.86Å; L92-F95 PolarHBondContact O-N 2.97Å; L92-F95 VanDerWaalsContact O-N 3.15Å; F95-K97 VanDerWaalsContact C-N 3.31Å; F95-K97 PolarHBondContact O-N 2.88Å; F95-E98 WeakPolarHBondContact O-CB 3.38Å; F95-E98 PolarHBondContact O-N 3.42Å; F95-E98 VanDerWaalsContact O-N 3.13Å; F95-E99 PolarHBondContact O-N 3.41Å; F95-E99 VanDerWaalsContact O-N 3.11Å
96L97.8Very high98Very high0 Ų051.7 Ų51.70%025%0.246CC..Hα-helixtrans-62.5-37.9176.2-67.2173.6000111.8L41 R44 A45 E48 L92 S93 G94 E98 E99 V100 H234 Q237L41-L96 HydrophobicContact CD2-CD2 4.47Å; R44-L96 HydrophobicContact CG-CD1 4.01Å; A45-L96 HydrophobicContact CB-CB 3.67Å; A45-L96 HydrophobicContact CB-CD1 4.3Å; E48-L96 HydrophobicContact CG-CD1 4.11Å; L92-L96 HydrophobicContact CD1-CD1 4.37Å; L92-L96 HydrophobicContact CD1-CG 4.25Å; L92-L96 HydrophobicContact CG-CD1 4.22Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; L92-L96 PolarHBondContact O-N 3.18Å; S93-L96 PolarHBondContact O-N 3.19Å; G94-L96 PolarHBondContact O-N 3.38Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.31Å; L96-E99 PolarHBondContact O-N 2.98Å; L96-V100 VanDerWaalsContact O-CG2 3.3Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.02Å; L96-H234 WeakPolarHBondContact CD2-ND1 3.44Å; L96-Q237 VanDerWaalsContact CD2-OE1 3.25Å
97K98.1Very high97.9Very high94 Ų9452.3 Ų52.341%0.40925%0.249SC..Hα-helixtrans-65.3-31.9174.5-72.1169.5-174.41740112.6A45 E49 S93 G94 F95 V100 K101A45-K97 HydrophobicContact CB-CG 3.98Å; E49-K97 IonicContact OE1-NZ 3.96Å; E49-K97 IonicContact OE2-NZ 3.29Å; E49-K97 PolarHBondContact OE2-NZ 2.91Å; S93-K97 VanDerWaalsContact O-CG 3.31Å; S93-K97 WeakPolarHBondContact O-CG 3.39Å; S93-K97 PolarHBondContact O-N 2.98Å; S93-K97 WeakPolarHBondContact OG-CE 3.41Å; G94-K97 WeakPolarHBondContact O-CB 3.39Å; G94-K97 PolarHBondContact O-N 3.11Å; F95-K97 VanDerWaalsContact C-N 3.31Å; F95-K97 PolarHBondContact O-N 2.88Å; K97-V100 WeakPolarHBondContact O-CB 3.46Å; K97-K101 PolarHBondContact O-N 3.31Å; K97-K101 VanDerWaalsContact O-N 3.14Å
98E97.1Very high97.9Very high92 Ų9251.9 Ų51.943%0.4324%0.244SC..Hα-helixtrans-68.2-41.3172.4-63.4-174174.900111.9G94 F95 L96 V100 K101 R102G94-E98 PolarHBondContact O-N 3.12Å; G94-E98 VanDerWaalsContact O-N 3.13Å; F95-E98 WeakPolarHBondContact O-CB 3.38Å; F95-E98 PolarHBondContact O-N 3.42Å; F95-E98 VanDerWaalsContact O-N 3.13Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.31Å; E98-V100 VanDerWaalsContact C-N 3.34Å; E98-V100 PolarHBondContact O-N 3.45Å; E98-K101 WeakPolarHBondContact O-CB 3.44Å; E98-K101 PolarHBondContact O-N 2.96Å; E98-K101 VanDerWaalsContact O-N 3.16Å; E98-R102 VanDerWaalsContact CB-NH1 3.35Å; E98-R102 WeakPolarHBondContact O-CG 3.32Å; E98-R102 PolarHBondContact O-N 3.36Å; E98-R102 IonicContact OE2-CZ 3.17Å; E98-R102 IonicContact OE2-NH1 3.75Å; E98-R102 PolarHBondContact OE2-NH1 2.81Å; E98-R102 IonicContact OE2-NH2 2.77Å; E98-R102 PolarHBondContact OE2-NH2 3.24Å
99E96.2Very high97.7Very high32 Ų3256.4 Ų56.415%0.1526%0.259CS..Hα-helixtrans-61.9-41.2174.9-68.4-55.6124.800111.9L41 F95 L96 K101 R102 M103 V233L41-E99 HydrophobicContact CD1-CB 4.24Å; F95-E99 PolarHBondContact O-N 3.41Å; F95-E99 VanDerWaalsContact O-N 3.11Å; L96-E99 PolarHBondContact O-N 2.98Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 3.03Å; E99-R102 PolarHBondContact O-N 3.32Å; E99-R102 IonicContact OE1-CZ 2.99Å; E99-R102 IonicContact OE1-NE 3.4Å; E99-R102 IonicContact OE1-NH1 3.64Å; E99-R102 PolarHBondContact OE1-NH1 3.44Å; E99-M103 PolarHBondContact O-N 2.94Å; E99-V233 HydrophobicContact CG-CG1 4.48Å
100V98.1Very high97.6Very high17 Ų1756.4 Ų56.410%0.10326%0.259CS..Hα-helixtrans-53.9-48.2171.5167.90000110.6E38 L41 K42 L96 K97 E98 M103 E104E38-V100 HydrophobicContact CG-CG1 3.67Å; L41-V100 HydrophobicContact CB-CG2 3.5Å; L41-V100 VanDerWaalsContact CB-CG2 3.5Å; K42-V100 HydrophobicContact CB-CG1 4.5Å; K42-V100 HydrophobicContact CB-CG2 4.17Å; L96-V100 VanDerWaalsContact O-CG2 3.3Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.02Å; K97-V100 WeakPolarHBondContact O-CB 3.46Å; E98-V100 VanDerWaalsContact C-N 3.34Å; E98-V100 PolarHBondContact O-N 3.45Å; V100-M103 PolarHBondContact O-N 3.48Å; V100-E104 PolarHBondContact O-N 3.27Å
101K97.8Very high97.4Very high125 Ų12556.5 Ų56.554%0.54326%0.257SS..Hα-helixtrans-64.2-42.8179.3-174-177.3175.9-169.30112.2K97 E98 E99 M103 E104 E105K97-K101 PolarHBondContact O-N 3.31Å; K97-K101 VanDerWaalsContact O-N 3.14Å; E98-K101 WeakPolarHBondContact O-CB 3.44Å; E98-K101 PolarHBondContact O-N 2.96Å; E98-K101 VanDerWaalsContact O-N 3.16Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 3.03Å; K101-M103 VanDerWaalsContact C-N 3.31Å; K101-M103 PolarHBondContact O-N 2.89Å; K101-E104 PolarHBondContact O-N 2.9Å; K101-E105 WeakPolarHBondContact CE-OE1 3.46Å; K101-E105 IonicContact NZ-OE1 3.79Å; K101-E105 WeakPolarHBondContact O-CG 3.48Å; K101-E105 PolarHBondContact O-N 3.45Å
102R97Very high97.3Very high122 Ų12256.7 Ų56.746%0.4626%0.258SS..Hα-helixtrans-59.7-41.6176.1-70.4175.5-175.2105.312.2111.3E98 E99 F106E98-R102 VanDerWaalsContact CB-NH1 3.35Å; E98-R102 WeakPolarHBondContact O-CG 3.32Å; E98-R102 PolarHBondContact O-N 3.36Å; E98-R102 IonicContact OE2-CZ 3.17Å; E98-R102 IonicContact OE2-NH1 3.75Å; E98-R102 PolarHBondContact OE2-NH1 2.81Å; E98-R102 IonicContact OE2-NH2 2.77Å; E98-R102 PolarHBondContact OE2-NH2 3.24Å; E99-R102 PolarHBondContact O-N 3.32Å; E99-R102 IonicContact OE1-CZ 2.99Å; E99-R102 IonicContact OE1-NE 3.4Å; E99-R102 IonicContact OE1-NH1 3.64Å; E99-R102 PolarHBondContact OE1-NH1 3.44Å; R102-F106 WeakPolarHBondContact O-CB 3.31Å; R102-F106 PolarHBondContact O-N 3.16Å
103M97.9Very high97.1Very high4 Ų460.1 Ų60.12%0.0227%0.274CS..Hα-helixtrans-66.1-41.2176.4-172.758.666.900112.4C34 V37 E38 E99 V100 K101 F106 R107 V226 V227 A230C34-M103 HydrophobicContact CB-CG 4.47Å; C34-M103 HydrophobicContact CB-SD 3.86Å; C34-M103 WeakPolarHBondContact O-CG 3.33Å; V37-M103 HydrophobicContact CG1-CE 4.12Å; E38-M103 HydrophobicContact CB-CG 4.3Å; E99-M103 PolarHBondContact O-N 2.94Å; V100-M103 PolarHBondContact O-N 3.48Å; K101-M103 VanDerWaalsContact C-N 3.31Å; K101-M103 PolarHBondContact O-N 2.89Å; M103-F106 PolarHBondContact O-N 3.42Å; M103-F106 HydrophobicContact SD-CD1 4.32Å; M103-R107 WeakPolarHBondContact O-CB 3.5Å; M103-R107 PolarHBondContact O-N 3.46Å; M103-V226 HydrophobicContact CE-CG1 4.17Å; M103-V227 HydrophobicContact CE-CG2 4.22Å; M103-A230 HydrophobicContact CE-CB 3.82Å
104E97.9Very high96.9Very high92 Ų9261 Ų6143%0.4328%0.277SS..Hα-helixtrans-60.3-50.4175.1175.2166.5-15500111.8E38 V100 K101 F106 R107 E108E38-E104 WeakPolarHBondContact OE2-CB 3.49Å; V100-E104 PolarHBondContact O-N 3.27Å; K101-E104 PolarHBondContact O-N 2.9Å; E104-F106 VanDerWaalsContact C-N 3.32Å; E104-F106 PolarHBondContact O-N 2.95Å; E104-R107 PolarHBondContact O-N 3.07Å; E104-E108 PolarHBondContact O-N 3.06Å
105E97.8Very high96.8Very high91 Ų9164.2 Ų64.243%0.42528%0.282SS..Hα-helixtrans-60-42.5178.8-72.3174.8-177.700111.8K101 R109K101-E105 WeakPolarHBondContact CE-OE1 3.46Å; K101-E105 IonicContact NZ-OE1 3.79Å; K101-E105 WeakPolarHBondContact O-CG 3.48Å; K101-E105 PolarHBondContact O-N 3.45Å; E105-R109 WeakPolarHBondContact O-CB 3.4Å; E105-R109 PolarHBondContact O-N 3.48Å
106F97.9Very high96.7Very high20 Ų2065.9 Ų65.99%0.08829%0.289CS..Hα-helixtrans-60.8-47.9174.7173-103.2000112R102 M103 E104 E108 R109 Q110 D222 R223 V226R102-F106 WeakPolarHBondContact O-CB 3.31Å; R102-F106 PolarHBondContact O-N 3.16Å; M103-F106 PolarHBondContact O-N 3.42Å; M103-F106 HydrophobicContact SD-CD1 4.32Å; E104-F106 VanDerWaalsContact C-N 3.32Å; E104-F106 PolarHBondContact O-N 2.95Å; F106-E108 PolarHBondContact O-N 3.47Å; F106-R109 PolarHBondContact O-N 3.27Å; F106-Q110 HydrophobicContact CE1-CG 4.22Å; F106-Q110 HydrophobicContact CE2-CG 4.03Å; F106-Q110 VanDerWaalsContact CZ-CD 3.43Å; F106-Q110 HydrophobicContact CZ-CG 3.84Å; F106-Q110 PolarHBondContact O-N 3.47Å; F106-D222 HydrophobicContact CE2-CB 4.48Å; F106-R223 HydrophobicContact CE1-CB 4.32Å; F106-R223 HydrophobicContact CE1-CG 4.18Å; F106-R223 HydrophobicContact CZ-CB 4.16Å; F106-V226 HydrophobicContact CD1-CG1 4.01Å; F106-V226 HydrophobicContact CD2-CG1 4.39Å; F106-V226 HydrophobicContact CD2-CG2 4.17Å; F106-V226 HydrophobicContact CE1-CB 4.31Å; F106-V226 HydrophobicContact CE1-CG1 4.23Å; F106-V226 HydrophobicContact CE2-CB 4.39Å; F106-V226 HydrophobicContact CE2-CG2 3.9Å; F106-V226 HydrophobicContact CG-CG1 4.09Å; F106-V226 HydrophobicContact CZ-CB 4.21Å; F106-V226 HydrophobicContact CZ-CG2 4.18Å
107R97.3Very high96.5Very high14 Ų1468.7 Ų68.75%0.05330%0.301CS..Hα-helixtrans-59.8-44.9179.7-175.2-166.549.2-111.31.9112.1R31 C34 E38 M103 E104 K111R31-R107 HydrophobicContact CG-CG 3.49Å; R31-R107 VanDerWaalsContact CG-CG 3.49Å; C34-R107 HydrophobicContact CB-CB 4.43Å; C34-R107 HydrophobicContact CB-CG 4.42Å; E38-R107 IonicContact OE2-CZ 2.71Å; E38-R107 IonicContact OE2-NH1 2.98Å; E38-R107 PolarHBondContact OE2-NH1 3.39Å; E38-R107 IonicContact OE2-NH2 3.79Å; E38-R107 PolarHBondContact OE2-NH2 3.41Å; M103-R107 WeakPolarHBondContact O-CB 3.5Å; M103-R107 PolarHBondContact O-N 3.46Å; E104-R107 PolarHBondContact O-N 3.07Å; R107-K111 PolarHBondContact O-N 3.43Å; R107-K111 VanDerWaalsContact O-N 3.12Å
108E97.3Very high96.4Very high64 Ų6466 Ų6630%0.29929%0.29SS..Hα-helixtrans-70.6-35.4-179.6-68.1-50.7114.400111.9R31 E104 F106 K111 E112R31-E108 IonicContact CZ-OE1 3.6Å; R31-E108 IonicContact NH2-OE1 3.87Å; R31-E108 PolarHBondContact NH2-OE1 3.22Å; R31-E108 IonicContact NH2-OE2 3.24Å; E104-E108 PolarHBondContact O-N 3.06Å; F106-E108 PolarHBondContact O-N 3.47Å; E108-K111 PolarHBondContact O-N 3.3Å; E108-K111 WeakPolarHBondContact OE2-CD 3.47Å; E108-K111 IonicContact OE2-NZ 2.98Å; E108-K111 PolarHBondContact OE2-NZ 2.81Å; E108-E112 PolarHBondContact O-N 2.99Å
109R96.1Very high96.4Very high129 Ų12966.3 Ų66.349%0.48730%0.298SS..Hα-helixtrans-61.4-46.2173.1-169.8-173.9-52.9112.36.9112.2E105 F106 K111 E112 Q113E105-R109 WeakPolarHBondContact O-CB 3.4Å; E105-R109 PolarHBondContact O-N 3.48Å; F106-R109 PolarHBondContact O-N 3.27Å; R109-K111 VanDerWaalsContact C-N 3.35Å; R109-K111 PolarHBondContact O-N 3.39Å; R109-E112 PolarHBondContact O-N 2.92Å; R109-Q113 PolarHBondContact O-N 3.36Å
110Q94.9Very high96.4Very high13 Ų1368.6 Ų68.66%0.06131%0.31CS..Hα-helixtrans-61.2-43.5176.7-79.8-154.3-26.300112F106 E112 Q113 R114 Q219F106-Q110 HydrophobicContact CE1-CG 4.22Å; F106-Q110 HydrophobicContact CE2-CG 4.03Å; F106-Q110 VanDerWaalsContact CZ-CD 3.43Å; F106-Q110 HydrophobicContact CZ-CG 3.84Å; F106-Q110 PolarHBondContact O-N 3.47Å; Q110-E112 VanDerWaalsContact C-N 3.33Å; Q110-E112 PolarHBondContact O-N 3.15Å; Q110-Q113 PolarHBondContact O-N 2.91Å; Q110-R114 WeakPolarHBondContact O-CB 3.38Å; Q110-R114 PolarHBondContact O-N 3.37Å; Q110-Q219 PolarHBondContact NE2-O 2.93Å
111K95.9Very high96.3Very high57 Ų5767.8 Ų67.825%0.24831%0.305CS..Hα-helixtrans-58-45.5176.5170.1-178.9152.9-155.60111.9R107 E108 R109 R114 K115R107-K111 PolarHBondContact O-N 3.43Å; R107-K111 VanDerWaalsContact O-N 3.12Å; E108-K111 PolarHBondContact O-N 3.3Å; E108-K111 WeakPolarHBondContact OE2-CD 3.47Å; E108-K111 IonicContact OE2-NZ 2.98Å; E108-K111 PolarHBondContact OE2-NZ 2.81Å; R109-K111 VanDerWaalsContact C-N 3.35Å; R109-K111 PolarHBondContact O-N 3.39Å; K111-R114 PolarHBondContact O-N 3.37Å; K111-K115 WeakPolarHBondContact O-CG 3.36Å; K111-K115 PolarHBondContact O-N 3.32Å
112E95.9Very high96.3Very high100 Ų10067.8 Ų67.847%0.46731%0.307SS..Hα-helixtrans-66.3-43.8-179.2-176.554.5-146.200111.8E108 R109 Q110 K115 K116E108-E112 PolarHBondContact O-N 2.99Å; R109-E112 PolarHBondContact O-N 2.92Å; Q110-E112 VanDerWaalsContact C-N 3.33Å; Q110-E112 PolarHBondContact O-N 3.15Å; E112-K115 PolarHBondContact O-N 2.98Å; E112-K116 WeakPolarHBondContact O-CG 3.42Å; E112-K116 PolarHBondContact O-N 2.99Å; E112-K116 WeakPolarHBondContact OE1-CE 3.44Å
113Q93.3Very high96.3Very high78 Ų7869.2 Ų69.236%0.36432%0.317SS..Hα-helixtrans-61-47.7175-74.6-176.1-14.800111.6R109 Q110 K115 K116 F117 Q219R109-Q113 PolarHBondContact O-N 3.36Å; Q110-Q113 PolarHBondContact O-N 2.91Å; Q113-K115 PolarHBondContact O-N 2.74Å; Q113-K116 WeakPolarHBondContact O-CB 3.47Å; Q113-K116 PolarHBondContact O-N 3.44Å; Q113-F117 WeakPolarHBondContact O-CD2 3.23Å; Q113-F117 PolarHBondContact O-N 2.83Å; Q113-Q219 VanDerWaalsContact OE1-NE2 3.14Å
114R95.1Very high96.3Very high20 Ų2069.6 Ų69.68%0.07532%0.319CS..Hα-helixtrans-59-44.7179.9-169.8-171.867.9-141.55.7112.3I24 L27 N28 Q110 K111 K116 F117 E118 F216I24-R114 HydrophobicContact CD1-CG 4.15Å; L27-R114 HydrophobicContact CD1-CG 4Å; N28-R114 PolarHBondContact OD1-NH1 3.21Å; N28-R114 VanDerWaalsContact OD1-NH1 3.12Å; N28-R114 PolarHBondContact OD1-NH2 3.08Å; Q110-R114 WeakPolarHBondContact O-CB 3.38Å; Q110-R114 PolarHBondContact O-N 3.37Å; K111-R114 PolarHBondContact O-N 3.37Å; R114-K116 VanDerWaalsContact C-N 3.25Å; R114-K116 PolarHBondContact O-N 3.47Å; R114-F117 PolarHBondContact O-N 2.89Å; R114-F117 VanDerWaalsContact O-N 3.11Å; R114-E118 WeakPolarHBondContact CD-OE1 3.43Å; R114-E118 HydrophobicContact CG-CG 4.4Å; R114-E118 WeakPolarHBondContact CG-OE1 3.26Å; R114-E118 IonicContact CZ-OE1 2.96Å; R114-E118 IonicContact NE-OE1 3.99Å; R114-E118 PolarHBondContact NE-OE1 2.87Å; R114-E118 IonicContact NH2-OE1 3.44Å; R114-E118 WeakPolarHBondContact O-CG 3.27Å; R114-E118 PolarHBondContact O-N 3.05Å; R114-F216 HydrophobicContact CG-CE1 3.98Å; R114-F216 HydrophobicContact CG-CZ 4.02Å
115K95.8Very high96.3Very high100 Ų10066 Ų6644%0.43530%0.303SS..Hα-helixtrans-56.7-36.4177.3-82.7-171.9171.4-165.60113.3K111 E112 Q113 E118 V119K111-K115 WeakPolarHBondContact O-CG 3.36Å; K111-K115 PolarHBondContact O-N 3.32Å; E112-K115 PolarHBondContact O-N 2.98Å; Q113-K115 PolarHBondContact O-N 2.74Å; K115-E118 PolarHBondContact O-N 3.19Å; K115-V119 WeakPolarHBondContact O-CG2 3.43Å; K115-V119 PolarHBondContact O-N 3.02Å
116K94.9Very high96.3Very high119 Ų11969.5 Ų69.552%0.51732%0.316SS..Hα-helixtrans-62.4-43.8177.5-68.7173.4-178.4-179.90111.5E112 Q113 R114 I120E112-K116 WeakPolarHBondContact O-CG 3.42Å; E112-K116 PolarHBondContact O-N 2.99Å; E112-K116 WeakPolarHBondContact OE1-CE 3.44Å; Q113-K116 WeakPolarHBondContact O-CB 3.47Å; Q113-K116 PolarHBondContact O-N 3.44Å; R114-K116 VanDerWaalsContact C-N 3.25Å; R114-K116 PolarHBondContact O-N 3.47Å; K116-I120 WeakPolarHBondContact O-CG1 3.24Å; K116-I120 PolarHBondContact O-N 3.42Å
117F94.8Very high96.3Very high60 Ų6071.3 Ų71.326%0.26333%0.329SS..Hα-helixtrans-74.5-31.5178.2-67-74.6000112.8Q113 R114 V119 I120 M121 I212 M215 F216Q113-F117 WeakPolarHBondContact O-CD2 3.23Å; Q113-F117 PolarHBondContact O-N 2.83Å; R114-F117 PolarHBondContact O-N 2.89Å; R114-F117 VanDerWaalsContact O-N 3.11Å; F117-V119 PolarHBondContact O-N 3.11Å; F117-I120 HydrophobicContact CD1-CD1 4.36Å; F117-I120 PolarHBondContact O-N 2.9Å; F117-M121 WeakPolarHBondContact O-CB 3.34Å; F117-M121 PolarHBondContact O-N 3.2Å; F117-I212 HydrophobicContact CB-CD1 4.26Å; F117-I212 HydrophobicContact CB-CG1 4.19Å; F117-I212 HydrophobicContact CD1-CD1 4.44Å; F117-I212 HydrophobicContact CD1-CG1 3.83Å; F117-I212 HydrophobicContact CG-CG1 4.37Å; F117-M215 HydrophobicContact CD2-CG 3.99Å; F117-M215 HydrophobicContact CD2-SD 4.48Å; F117-M215 HydrophobicContact CE1-CG 4.35Å; F117-M215 HydrophobicContact CE2-CG 3.46Å; F117-M215 VanDerWaalsContact CE2-CG 3.46Å; F117-M215 HydrophobicContact CE2-SD 4.15Å; F117-M215 HydrophobicContact CZ-CG 3.66Å; F117-F216 HydrophobicContact CB-CE1 3.99Å; F117-F216 HydrophobicContact CB-CZ 4.18Å
118E95.1Very high96.3Very high38 Ų3871 Ų7118%0.17833%0.328CS..Hα-helixtrans-54.8-50.2171-73.3169.7-164.200111.5Y20 I24 R114 K115 I120 M121 E122Y20-E118 VanDerWaalsContact OH-CA 3.29Å; Y20-E118 WeakPolarHBondContact OH-CA 3.41Å; Y20-E118 WeakPolarHBondContact OH-CG 3.33Å; I24-E118 HydrophobicContact CD1-CG 3.72Å; R114-E118 WeakPolarHBondContact CD-OE1 3.43Å; R114-E118 HydrophobicContact CG-CG 4.4Å; R114-E118 WeakPolarHBondContact CG-OE1 3.26Å; R114-E118 IonicContact CZ-OE1 2.96Å; R114-E118 IonicContact NE-OE1 3.99Å; R114-E118 PolarHBondContact NE-OE1 2.87Å; R114-E118 IonicContact NH2-OE1 3.44Å; R114-E118 WeakPolarHBondContact O-CG 3.27Å; R114-E118 PolarHBondContact O-N 3.05Å; K115-E118 PolarHBondContact O-N 3.19Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 2.95Å; E118-M121 PolarHBondContact O-N 3.14Å; E118-E122 WeakPolarHBondContact O-CB 3.36Å; E118-E122 WeakPolarHBondContact O-CG 3.45Å; E118-E122 PolarHBondContact O-N 3.24Å
119V96.9Very high96.4Very high98 Ų9870.6 Ų70.659%0.59433%0.33SS*.Hα-helixtrans-62-39.3179.21750000112.4K115 F117 K123K115-V119 WeakPolarHBondContact O-CG2 3.43Å; K115-V119 PolarHBondContact O-N 3.02Å; F117-V119 PolarHBondContact O-N 3.11Å; V119-K123 PolarHBondContact O-N 3.01Å
120I96.6Very high96.5Very high79 Ų7968.2 Ų68.241%0.40533%0.333SS..Hα-helixtrans-65.4-50.5179.1-65.9167.2000110K116 F117 E118 E122 K123 V124 T208K116-I120 WeakPolarHBondContact O-CG1 3.24Å; K116-I120 PolarHBondContact O-N 3.42Å; F117-I120 HydrophobicContact CD1-CD1 4.36Å; F117-I120 PolarHBondContact O-N 2.9Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 2.95Å; I120-E122 PolarHBondContact O-N 3.14Å; I120-K123 PolarHBondContact O-N 2.86Å; I120-V124 PolarHBondContact O-N 2.85Å; I120-V124 VanDerWaalsContact O-N 3.16Å; I120-T208 HydrophobicContact CG2-CG2 3.84Å
121M97Very high96.6Very high0 Ų069.1 Ų69.10%034%0.338CS..Hα-helixtrans-62.9-44.5-178.5-171.357.2170.500112N17 Y20 F117 E118 K123 V124 Q125 W205 H209 I212N17-M121 WeakPolarHBondContact OD1-CE 3.24Å; Y20-M121 HydrophobicContact CD1-CG 4.27Å; Y20-M121 HydrophobicContact CD2-CB 4.47Å; Y20-M121 HydrophobicContact CD2-CE 4.26Å; Y20-M121 HydrophobicContact CD2-CG 3.76Å; Y20-M121 HydrophobicContact CE1-CG 4.13Å; Y20-M121 HydrophobicContact CE2-CB 3.86Å; Y20-M121 HydrophobicContact CE2-CG 3.62Å; Y20-M121 HydrophobicContact CG-CE 4.23Å; Y20-M121 HydrophobicContact CG-CG 4.07Å; F117-M121 WeakPolarHBondContact O-CB 3.34Å; F117-M121 PolarHBondContact O-N 3.2Å; E118-M121 PolarHBondContact O-N 3.14Å; M121-K123 VanDerWaalsContact C-N 3.28Å; M121-K123 PolarHBondContact O-N 2.82Å; M121-V124 PolarHBondContact O-N 2.89Å; M121-Q125 WeakPolarHBondContact O-CB 3.24Å; M121-Q125 PolarHBondContact O-N 2.83Å; M121-W205 HydrophobicContact CE-CZ2 3.61Å; M121-H209 HydrophobicContact CE-CB 4.25Å; M121-H209 WeakPolarHBondContact CE-ND1 3.31Å; M121-I212 HydrophobicContact CB-CD1 3.71Å; M121-I212 HydrophobicContact CG-CD1 4.33Å; M121-I212 HydrophobicContact SD-CD1 4.25Å
122E96.8Very high96.8Very high125 Ų12570.1 Ų70.158%0.58434%0.341SS*.Hα-helixtrans-57.1-42.2177.5-78-179.8179.700111.9E118 I120 K126E118-E122 WeakPolarHBondContact O-CB 3.36Å; E118-E122 WeakPolarHBondContact O-CG 3.45Å; E118-E122 PolarHBondContact O-N 3.24Å; I120-E122 PolarHBondContact O-N 3.14Å; E122-K126 WeakPolarHBondContact O-CB 3.49Å; E122-K126 PolarHBondContact O-N 3.46Å
123K97.6Very high96.9Very high153 Ų15372 Ų7267%0.66535%0.347SS*.Hα-helixtrans-65.3-49.2179.8-176.4-175.7175.3-170.20111.8V119 I120 M121 T127V119-K123 PolarHBondContact O-N 3.01Å; I120-K123 PolarHBondContact O-N 2.86Å; M121-K123 VanDerWaalsContact C-N 3.28Å; M121-K123 PolarHBondContact O-N 2.82Å; K123-T127 PolarHBondContact O-N 3.02Å; K123-T127 VanDerWaalsContact O-N 3.13Å; K123-T127 PolarHBondContact O-OG1 2.96Å
124V97.6Very high97.1Very high11 Ų1172.7 Ų72.77%0.06735%0.349CS..Hα-helixtrans-67.9-43.1-178.5-178.60000110.2I120 M121 K126 T127 K128 I201 E204 W205 T208I120-V124 PolarHBondContact O-N 2.85Å; I120-V124 VanDerWaalsContact O-N 3.16Å; M121-V124 PolarHBondContact O-N 2.89Å; V124-K126 PolarHBondContact O-N 2.8Å; V124-T127 PolarHBondContact O-N 3.38Å; V124-K128 WeakPolarHBondContact O-CB 3.18Å; V124-K128 PolarHBondContact O-N 3.48Å; V124-I201 HydrophobicContact CG1-CD1 4.08Å; V124-E204 HydrophobicContact CG1-CG 4.49Å; V124-W205 HydrophobicContact CG1-CB 3.71Å; V124-W205 HydrophobicContact CG1-CG 4.18Å; V124-T208 HydrophobicContact CG2-CG2 4.49Å
125Q97.7Very high97.3Very high17 Ų1772 Ų728%0.07935%0.347CS..Hα-helixtrans-61.7-45.2176.6-179.961.31.700112.1I15 N17 M121 T127 K128 V129I15-Q125 PolarHBondContact O-NE2 3.31Å; N17-Q125 HydrophobicContact CB-CG 4.49Å; M121-Q125 WeakPolarHBondContact O-CB 3.24Å; M121-Q125 PolarHBondContact O-N 2.83Å; Q125-T127 VanDerWaalsContact C-N 3.26Å; Q125-T127 PolarHBondContact O-N 3.32Å; Q125-K128 PolarHBondContact O-N 3.14Å; Q125-V129 VanDerWaalsContact O-CG2 3.31Å; Q125-V129 WeakPolarHBondContact O-CG2 3.41Å; Q125-V129 PolarHBondContact O-N 2.86Å
126K98Very high97.4Very high164 Ų16469.7 Ų69.771%0.71334%0.339SS*.Hα-helixtrans-59.7-39.1176.8-175.5177.7-177.4177.80111.9E122 V124 S130E122-K126 WeakPolarHBondContact O-CB 3.49Å; E122-K126 PolarHBondContact O-N 3.46Å; V124-K126 PolarHBondContact O-N 2.8Å; K126-S130 WeakPolarHBondContact O-CB 3.49Å; K126-S130 PolarHBondContact O-N 3.33Å; K126-S130 VanDerWaalsContact O-N 3.07Å
127T98Very high97.5Very high59 Ų5967.8 Ų67.836%0.36234%0.335SS..Hα-helixtrans-69-45178.7-54.20000111K123 V124 Q125 V129 S130 L131 I201K123-T127 PolarHBondContact O-N 3.02Å; K123-T127 VanDerWaalsContact O-N 3.13Å; K123-T127 PolarHBondContact O-OG1 2.96Å; V124-T127 PolarHBondContact O-N 3.38Å; Q125-T127 VanDerWaalsContact C-N 3.26Å; Q125-T127 PolarHBondContact O-N 3.32Å; T127-V129 PolarHBondContact O-N 3.33Å; T127-S130 PolarHBondContact O-N 3.22Å; T127-L131 HydrophobicContact CG2-CD1 4.2Å; T127-L131 PolarHBondContact O-N 3.13Å; T127-I201 HydrophobicContact CG2-CD1 3.91Å; T127-I201 HydrophobicContact CG2-CG1 4.07Å
128K98.1Very high97.7Very high7 Ų765.6 Ų65.63%0.0333%0.327CS..Hα-helixtrans-56.4-48.7174.5-178.6-177.5173.8-1670111.9F14 V124 Q125 S130 L131 Y132 I201 W205F14-K128 HydrophobicContact CE1-CD 4.27Å; F14-K128 HydrophobicContact CE1-CG 3.75Å; F14-K128 HydrophobicContact CZ-CG 4.31Å; F14-K128 WeakPolarHBondContact O-CE 3.2Å; F14-K128 PolarHBondContact O-NZ 3.26Å; V124-K128 WeakPolarHBondContact O-CB 3.18Å; V124-K128 PolarHBondContact O-N 3.48Å; Q125-K128 PolarHBondContact O-N 3.14Å; K128-S130 PolarHBondContact O-N 3.36Å; K128-L131 PolarHBondContact O-N 2.91Å; K128-Y132 VanDerWaalsContact O-CB 3.32Å; K128-Y132 WeakPolarHBondContact O-CB 3.49Å; K128-Y132 PolarHBondContact O-N 3.01Å; K128-I201 HydrophobicContact CB-CG1 4.11Å; K128-W205 HydrophobicContact CD-CB 3.93Å; K128-W205 HydrophobicContact CD-CD2 3.86Å; K128-W205 HydrophobicContact CD-CE3 4.43Å; K128-W205 HydrophobicContact CD-CG 3.58Å; K128-W205 VanDerWaalsContact NZ-CD2 3.34Å
129V98.2Very high97.9Very high56 Ų5667.6 Ų67.634%0.33934%0.335SS..Hα-helixtrans-62.8-41.6178.5173.80000111.6I15 Q125 T127 Y132 K133I15-V129 HydrophobicContact CB-CG2 4.13Å; I15-V129 HydrophobicContact CG2-CG2 4.17Å; Q125-V129 VanDerWaalsContact O-CG2 3.31Å; Q125-V129 WeakPolarHBondContact O-CG2 3.41Å; Q125-V129 PolarHBondContact O-N 2.86Å; T127-V129 PolarHBondContact O-N 3.33Å; V129-Y132 PolarHBondContact O-N 3.35Å; V129-K133 PolarHBondContact O-N 2.9Å
130S98.2Very high97.9Very high78 Ų7868.8 Ų68.855%0.54533%0.332SS..Hα-helixtrans-62.8-48.5177.3-176.30000112.3K126 T127 K128 Y132 K133 K134K126-S130 WeakPolarHBondContact O-CB 3.49Å; K126-S130 PolarHBondContact O-N 3.33Å; K126-S130 VanDerWaalsContact O-N 3.07Å; T127-S130 PolarHBondContact O-N 3.22Å; K128-S130 PolarHBondContact O-N 3.36Å; S130-Y132 VanDerWaalsContact C-N 3.33Å; S130-Y132 PolarHBondContact O-N 2.91Å; S130-K133 PolarHBondContact O-N 2.99Å; S130-K134 PolarHBondContact O-N 3.06Å
131L98.3Very high98Very high32 Ų3267.7 Ų67.717%0.16833%0.331CS..Hα-helixtrans-66.8-34.9178.3-73.7175.6000112.1T127 K128 K134 T135 Q197 L198 I201T127-L131 HydrophobicContact CG2-CD1 4.2Å; T127-L131 PolarHBondContact O-N 3.13Å; K128-L131 PolarHBondContact O-N 2.91Å; L131-K134 PolarHBondContact O-N 3.36Å; L131-T135 WeakPolarHBondContact O-CB 3.18Å; L131-T135 PolarHBondContact O-N 3.48Å; L131-T135 PolarHBondContact O-OG1 2.83Å; L131-Q197 HydrophobicContact CD2-CB 4.45Å; L131-L198 HydrophobicContact CB-CD1 4.05Å; L131-I201 HydrophobicContact CB-CG2 4.21Å; L131-I201 HydrophobicContact CD1-CB 3.86Å; L131-I201 HydrophobicContact CD1-CG1 4.33Å; L131-I201 HydrophobicContact CD1-CG2 3.56Å
132Y98.4Very high98.1Very high78 Ų7870.6 Ų70.631%0.30634%0.343SS..Hα-helixtrans-60-51172.9178.4-100.4000110.9F14 I15 K128 V129 S130 K134 T135 I136 L198F14-Y132 HydrophobicContact CB-CD2 4.41Å; F14-Y132 HydrophobicContact CB-CE2 4.13Å; F14-Y132 AromaticContact CD1-CD2 3.31Å; F14-Y132 HydrophobicContact CD1-CD2 3.31Å; F14-Y132 AromaticContact CD1-CE2 3.9Å; F14-Y132 HydrophobicContact CD1-CE2 3.9Å; F14-Y132 AromaticContact CD1-CG 3.83Å; F14-Y132 HydrophobicContact CD1-CG 3.83Å; F14-Y132 AromaticContact CE1-CD2 3.72Å; F14-Y132 HydrophobicContact CE1-CD2 3.72Å; F14-Y132 HydrophobicContact CE1-CG 4.18Å; F14-Y132 AromaticContact CG-CD2 3.94Å; F14-Y132 HydrophobicContact CG-CD2 3.94Å; F14-Y132 HydrophobicContact CG-CE2 4.07Å; I15-Y132 HydrophobicContact CG2-CD1 3.39Å; I15-Y132 HydrophobicContact CG2-CD2 4.44Å; I15-Y132 HydrophobicContact CG2-CE1 3.89Å; I15-Y132 HydrophobicContact CG2-CG 3.7Å; K128-Y132 VanDerWaalsContact O-CB 3.32Å; K128-Y132 WeakPolarHBondContact O-CB 3.49Å; K128-Y132 PolarHBondContact O-N 3.01Å; V129-Y132 PolarHBondContact O-N 3.35Å; S130-Y132 VanDerWaalsContact C-N 3.33Å; S130-Y132 PolarHBondContact O-N 2.91Å; Y132-K134 PolarHBondContact O-N 3.33Å; Y132-T135 WeakPolarHBondContact O-CB 3.34Å; Y132-T135 PolarHBondContact O-N 2.92Å; Y132-T135 VanDerWaalsContact O-N 3.13Å; Y132-I136 HydrophobicContact CD1-CG1 4.23Å; Y132-I136 HydrophobicContact CD2-CG1 4.44Å; Y132-I136 HydrophobicContact CE1-CG1 3.85Å; Y132-I136 HydrophobicContact CE2-CD1 4.09Å; Y132-I136 HydrophobicContact CE2-CG1 4.06Å; Y132-I136 WeakPolarHBondContact O-CG1 3.4Å; Y132-I136 PolarHBondContact O-N 3.4Å; Y132-L198 HydrophobicContact CD2-CD2 4.13Å
133K98.3Very high98.1Very high139 Ų13968.7 Ų68.760%0.60433%0.334SS*.Hα-helixtrans-56.9-49177.4-176.9175.9179.1176.20111.8V129 S130 T135 I136 D137V129-K133 PolarHBondContact O-N 2.9Å; S130-K133 PolarHBondContact O-N 2.99Å; K133-T135 VanDerWaalsContact C-N 3.26Å; K133-T135 PolarHBondContact O-N 3.04Å; K133-I136 PolarHBondContact O-N 3.34Å; K133-D137 PolarHBondContact O-N 3.16Å
134K98.1Very high98.1Very high93 Ų9365.8 Ų65.840%0.40432%0.323SS..Hα-helixtrans-56.7-40.8177.1-173.3-173.4177.5-159.10112S130 L131 Y132 S138 N194S130-K134 PolarHBondContact O-N 3.06Å; L131-K134 PolarHBondContact O-N 3.36Å; Y132-K134 PolarHBondContact O-N 3.33Å; K134-S138 PolarHBondContact O-N 3.2Å; K134-S138 PolarHBondContact O-OG 3.47Å; K134-N194 WeakPolarHBondContact CE-OD1 3.45Å; K134-N194 PolarHBondContact NZ-OD1 3.16Å; K134-N194 VanDerWaalsContact NZ-OD1 3.09Å
135T98.4Very high98.1Very high6 Ų669.8 Ų69.84%0.03734%0.337CS..Hα-helixtrans-67.4-46.4179.8-57.90000111.4L131 Y132 K133 D137 S138 K139 Y191 N194 I195 L198L131-T135 WeakPolarHBondContact O-CB 3.18Å; L131-T135 PolarHBondContact O-N 3.48Å; L131-T135 PolarHBondContact O-OG1 2.83Å; Y132-T135 WeakPolarHBondContact O-CB 3.34Å; Y132-T135 PolarHBondContact O-N 2.92Å; Y132-T135 VanDerWaalsContact O-N 3.13Å; K133-T135 VanDerWaalsContact C-N 3.26Å; K133-T135 PolarHBondContact O-N 3.04Å; T135-D137 VanDerWaalsContact C-N 3.34Å; T135-D137 PolarHBondContact O-N 3.28Å; T135-S138 WeakPolarHBondContact CA-OG 3.15Å; T135-S138 PolarHBondContact O-N 3.06Å; T135-S138 PolarHBondContact O-OG 3.47Å; T135-K139 PolarHBondContact O-N 2.83Å; T135-Y191 HydrophobicContact CG2-CD2 4.26Å; T135-Y191 HydrophobicContact CG2-CE2 3.79Å; T135-N194 HydrophobicContact CG2-CB 4.48Å; T135-N194 PolarHBondContact OG1-O 2.9Å; T135-I195 HydrophobicContact CG2-CG1 3.97Å; T135-L198 HydrophobicContact CG2-CD2 3.9Å
136I98.2Very high98.1Very high52 Ų5270.5 Ų70.527%0.26734%0.343SS..Hα-helixtrans-62.1-40.6176.3-63.8-57.8000111.7Y132 K133 K139 K140Y132-I136 HydrophobicContact CD1-CG1 4.23Å; Y132-I136 HydrophobicContact CD2-CG1 4.44Å; Y132-I136 HydrophobicContact CE1-CG1 3.85Å; Y132-I136 HydrophobicContact CE2-CD1 4.09Å; Y132-I136 HydrophobicContact CE2-CG1 4.06Å; Y132-I136 WeakPolarHBondContact O-CG1 3.4Å; Y132-I136 PolarHBondContact O-N 3.4Å; K133-I136 PolarHBondContact O-N 3.34Å; I136-K139 WeakPolarHBondContact O-CB 3.42Å; I136-K139 PolarHBondContact O-N 2.91Å; I136-K140 WeakPolarHBondContact O-CG 3.49Å; I136-K140 PolarHBondContact O-N 3.21Å; I136-K140 VanDerWaalsContact O-N 3.09Å
137D98.3Very high98.1Very high78 Ų7868.4 Ų68.442%0.41733%0.334SS..Hα-helixtrans-66.2-41176.8-68.7-21.3000111.3K133 T135 K139 K140 S141K133-D137 PolarHBondContact O-N 3.16Å; T135-D137 VanDerWaalsContact C-N 3.34Å; T135-D137 PolarHBondContact O-N 3.28Å; D137-K139 PolarHBondContact O-N 3.01Å; D137-K140 PolarHBondContact O-N 2.93Å; D137-S141 PolarHBondContact O-N 2.86Å
138S98.3Very high98.1Very high14 Ų1469.1 Ų69.110%0.09833%0.333CS..Hα-helixtrans-66.9-33.7174.462.70000113.5K134 T135 S141 Y142 Y191 N194K134-S138 PolarHBondContact O-N 3.2Å; K134-S138 PolarHBondContact O-OG 3.47Å; T135-S138 WeakPolarHBondContact CA-OG 3.15Å; T135-S138 PolarHBondContact O-N 3.06Å; T135-S138 PolarHBondContact O-OG 3.47Å; S138-S141 PolarHBondContact O-N 3.18Å; S138-Y142 WeakPolarHBondContact O-CB 3.38Å; S138-Y142 PolarHBondContact O-N 2.87Å; S138-Y191 WeakPolarHBondContact OG-CD2 3.34Å; S138-N194 VanDerWaalsContact CB-ND2 3.25Å; S138-N194 WeakPolarHBondContact CB-ND2 3.36Å; S138-N194 PolarHBondContact OG-ND2 3.49Å
139K98.5Very high98Very high80 Ų8068.9 Ų68.935%0.34833%0.332SS..Hα-helixtrans-59.9-50.7172.7-179.6-178.2171.3175.30110.7T135 I136 D137 S141 Y142 E143 Y191T135-K139 PolarHBondContact O-N 2.83Å; I136-K139 WeakPolarHBondContact O-CB 3.42Å; I136-K139 PolarHBondContact O-N 2.91Å; D137-K139 PolarHBondContact O-N 3.01Å; K139-S141 VanDerWaalsContact C-N 3.31Å; K139-S141 PolarHBondContact O-N 2.91Å; K139-Y142 PolarHBondContact O-N 3.42Å; K139-E143 WeakPolarHBondContact CE-OE1 3.43Å; K139-E143 IonicContact NZ-OE1 3.96Å; K139-E143 WeakPolarHBondContact O-CG 3.48Å; K139-E143 PolarHBondContact O-N 2.62Å; K139-Y191 HydrophobicContact CB-CD2 4.1Å; K139-Y191 HydrophobicContact CB-CE1 4.2Å; K139-Y191 HydrophobicContact CB-CE2 3.57Å; K139-Y191 HydrophobicContact CG-CE1 4.07Å; K139-Y191 HydrophobicContact CG-CE2 4.2Å
140K98.3Very high97.9Very high123 Ų12369.5 Ų69.554%0.53533%0.334SS..Hα-helixtrans-60.1-42.1178.2-70173.4-177.1172.30111.8I136 D137 E143 Q144I136-K140 WeakPolarHBondContact O-CG 3.49Å; I136-K140 PolarHBondContact O-N 3.21Å; I136-K140 VanDerWaalsContact O-N 3.09Å; D137-K140 PolarHBondContact O-N 2.93Å; K140-E143 PolarHBondContact O-N 3.32Å; K140-Q144 WeakPolarHBondContact O-CB 3.43Å; K140-Q144 PolarHBondContact O-N 3.12Å
141S97.9Very high97.8Very high56 Ų5671.5 Ų71.539%0.39234%0.335SS..Hα-helixtrans-61.6-46.9176.2-174.80000111.7D137 S138 K139 Q144 R145D137-S141 PolarHBondContact O-N 2.86Å; S138-S141 PolarHBondContact O-N 3.18Å; K139-S141 VanDerWaalsContact C-N 3.31Å; K139-S141 PolarHBondContact O-N 2.91Å; S141-Q144 PolarHBondContact O-N 3.01Å; S141-R145 VanDerWaalsContact O-CG 3.3Å; S141-R145 WeakPolarHBondContact O-CG 3.43Å; S141-R145 PolarHBondContact O-N 3.23Å
142Y98.4Very high97.6Very high61 Ų6170.7 Ų70.724%0.23933%0.333CS..Hα-helixtrans-59.7-49.5175.8167.9-113.9000111.9S138 K139 Q144 R145 C146 A187 E188 Y191S138-Y142 WeakPolarHBondContact O-CB 3.38Å; S138-Y142 PolarHBondContact O-N 2.87Å; K139-Y142 PolarHBondContact O-N 3.42Å; Y142-Q144 VanDerWaalsContact C-N 3.27Å; Y142-Q144 PolarHBondContact O-N 3.36Å; Y142-R145 PolarHBondContact O-N 2.91Å; Y142-R145 VanDerWaalsContact O-N 3.15Å; Y142-C146 WeakPolarHBondContact CE2-SG 3.43Å; Y142-C146 VanDerWaalsContact CZ-SG 3.5Å; Y142-C146 PolarHBondContact O-N 3Å; Y142-C146 PolarHBondContact O-SG 3.17Å; Y142-A187 HydrophobicContact CD2-CB 4.37Å; Y142-E188 HydrophobicContact CD2-CB 3.73Å; Y142-E188 HydrophobicContact CD2-CG 4.26Å; Y142-E188 HydrophobicContact CE2-CB 3.45Å; Y142-E188 VanDerWaalsContact CE2-CB 3.45Å; Y142-E188 HydrophobicContact CE2-CG 3.67Å; Y142-Y191 AromaticContact CD1-CD1 3.92Å; Y142-Y191 HydrophobicContact CD1-CD1 3.92Å; Y142-Y191 HydrophobicContact CD1-CE1 4.43Å; Y142-Y191 HydrophobicContact CG-CD1 4.38Å
143E98.1Very high97.4Very high85 Ų8570.2 Ų70.240%0.39733%0.333SS..Hα-helixtrans-57.1-40.3176.8-73.2173.1174.600112.2K139 K140 K147K139-E143 WeakPolarHBondContact CE-OE1 3.43Å; K139-E143 IonicContact NZ-OE1 3.96Å; K139-E143 WeakPolarHBondContact O-CG 3.48Å; K139-E143 PolarHBondContact O-N 2.62Å; K140-E143 PolarHBondContact O-N 3.32Å; E143-K147 WeakPolarHBondContact O-CG 3.3Å; E143-K147 PolarHBondContact O-N 3.33Å
144Q97.9Very high97.2Very high92 Ų9268.1 Ų68.143%0.4333%0.326SS..Hα-helixtrans-66.8-44.8176.7-178.557.134.800111.9K140 S141 Y142 C146 K147 E148K140-Q144 WeakPolarHBondContact O-CB 3.43Å; K140-Q144 PolarHBondContact O-N 3.12Å; S141-Q144 PolarHBondContact O-N 3.01Å; Y142-Q144 VanDerWaalsContact C-N 3.27Å; Y142-Q144 PolarHBondContact O-N 3.36Å; Q144-C146 VanDerWaalsContact C-N 3.32Å; Q144-C146 PolarHBondContact O-N 3.42Å; Q144-K147 PolarHBondContact O-N 3.34Å; Q144-E148 PolarHBondContact NE2-OE1 3Å; Q144-E148 WeakPolarHBondContact O-CG 3.18Å; Q144-E148 PolarHBondContact O-N 3.35Å
145R97.6Very high96.9Very high96 Ų9667.1 Ų67.136%0.36233%0.327SS..Hα-helixtrans-66-33.6178.4-67.5-64.3-178.582.3-2.6112.7S141 Y142 A149 A184 A187S141-R145 VanDerWaalsContact O-CG 3.3Å; S141-R145 WeakPolarHBondContact O-CG 3.43Å; S141-R145 PolarHBondContact O-N 3.23Å; Y142-R145 PolarHBondContact O-N 2.91Å; Y142-R145 VanDerWaalsContact O-N 3.15Å; R145-A149 WeakPolarHBondContact O-CB 3.33Å; R145-A149 PolarHBondContact O-N 2.95Å; R145-A184 HydrophobicContact CB-CB 4.11Å; R145-A187 HydrophobicContact CB-CB 4.37Å; R145-A187 HydrophobicContact CG-CB 4.2Å
146C97.6Very high96.5Very high32 Ų3267.1 Ų67.122%0.21633%0.328CS..Hα-helixtrans-62.3-48.2171.8-74.30000111.7Y142 Q144 E148 A149 D150Y142-C146 WeakPolarHBondContact CE2-SG 3.43Å; Y142-C146 VanDerWaalsContact CZ-SG 3.5Å; Y142-C146 PolarHBondContact O-N 3Å; Y142-C146 PolarHBondContact O-SG 3.17Å; Q144-C146 VanDerWaalsContact C-N 3.32Å; Q144-C146 PolarHBondContact O-N 3.42Å; C146-E148 VanDerWaalsContact C-N 3.33Å; C146-E148 PolarHBondContact O-N 3.45Å; C146-A149 WeakPolarHBondContact O-CB 3.49Å; C146-A149 PolarHBondContact O-N 2.73Å; C146-A149 VanDerWaalsContact O-N 3.15Å; C146-D150 VanDerWaalsContact O-CG 3.29Å; C146-D150 PolarHBondContact O-N 2.98Å
147K97.6Very high96.1Very high119 Ų11970.3 Ų70.352%0.51734%0.342SS..Hα-helixtrans-58.2-45.7177-69.6172.6-174.8176.70111.9E143 Q144 A149 D150 E151E143-K147 WeakPolarHBondContact O-CG 3.3Å; E143-K147 PolarHBondContact O-N 3.33Å; Q144-K147 PolarHBondContact O-N 3.34Å; K147-A149 VanDerWaalsContact C-N 3.32Å; K147-A149 PolarHBondContact O-N 3.49Å; K147-D150 PolarHBondContact O-N 2.92Å; K147-E151 WeakPolarHBondContact O-CB 3.47Å; K147-E151 VanDerWaalsContact O-CG 3.31Å; K147-E151 WeakPolarHBondContact O-CG 3.48Å; K147-E151 PolarHBondContact O-N 2.86Å
148E96.6Very high95.8Very high75 Ų7574.7 Ų74.735%0.3535%0.352SS..Hα-helixtrans-62.2-38177.1-72.4169.6-165.900112.5Q144 C146 A152Q144-E148 PolarHBondContact NE2-OE1 3Å; Q144-E148 WeakPolarHBondContact O-CG 3.18Å; Q144-E148 PolarHBondContact O-N 3.35Å; C146-E148 VanDerWaalsContact C-N 3.33Å; C146-E148 PolarHBondContact O-N 3.45Å; E148-A152 VanDerWaalsContact O-CB 3.24Å; E148-A152 WeakPolarHBondContact O-CB 3.45Å; E148-A152 PolarHBondContact O-N 3.47Å
149A96.3Very high95.3Very high1 Ų176.6 Ų76.61%0.00836%0.361CS..Hα-helixtrans-66.3-45.8175.700000111.9R145 C146 K147 A152 E153 C180 A184R145-A149 WeakPolarHBondContact O-CB 3.33Å; R145-A149 PolarHBondContact O-N 2.95Å; C146-A149 WeakPolarHBondContact O-CB 3.49Å; C146-A149 PolarHBondContact O-N 2.73Å; C146-A149 VanDerWaalsContact O-N 3.15Å; K147-A149 VanDerWaalsContact C-N 3.32Å; K147-A149 PolarHBondContact O-N 3.49Å; A149-A152 PolarHBondContact O-N 3.32Å; A149-E153 WeakPolarHBondContact O-CB 3.46Å; A149-E153 PolarHBondContact O-N 3.27Å; A149-C180 HydrophobicContact CB-CB 4.1Å; A149-A184 HydrophobicContact CB-CB 4.34Å
150D96.3Very high94.7Very high69 Ų6974.7 Ų74.737%0.36936%0.364SS..Hα-helixtrans-66.3-39179.6-63.6-19.4000111.5C146 K147 E153 Q154 R181C146-D150 VanDerWaalsContact O-CG 3.29Å; C146-D150 PolarHBondContact O-N 2.98Å; K147-D150 PolarHBondContact O-N 2.92Å; D150-E153 PolarHBondContact O-N 3.34Å; D150-Q154 WeakPolarHBondContact O-CG 3.28Å; D150-Q154 PolarHBondContact O-N 2.98Å; D150-R181 IonicContact OD1-NH1 2.71Å; D150-R181 PolarHBondContact OD1-NH1 3.47Å
151E96.1Very high94.1Very high121 Ų12175.5 Ų75.557%0.56537%0.374SS*.Hα-helixtrans-65-41.3173.4-74.6175.3-171.500112.3K147 T155K147-E151 WeakPolarHBondContact O-CB 3.47Å; K147-E151 VanDerWaalsContact O-CG 3.31Å; K147-E151 WeakPolarHBondContact O-CG 3.48Å; K147-E151 PolarHBondContact O-N 2.86Å; E151-T155 WeakPolarHBondContact O-CB 3.32Å; E151-T155 PolarHBondContact O-N 3.31Å; E151-T155 PolarHBondContact O-OG1 3.41Å
152A94.1Very high93.6Very high15 Ų1574.4 Ų74.412%0.12437%0.369CS..Hα-helixtrans-66.2-38.217700000111.9E148 A149 T155 A156 C180E148-A152 VanDerWaalsContact O-CB 3.24Å; E148-A152 WeakPolarHBondContact O-CB 3.45Å; E148-A152 PolarHBondContact O-N 3.47Å; A149-A152 PolarHBondContact O-N 3.32Å; A152-T155 PolarHBondContact O-N 2.96Å; A152-A156 WeakPolarHBondContact O-CB 3.49Å; A152-A156 PolarHBondContact O-N 3.3Å; A152-C180 HydrophobicContact CB-CB 4.19Å
153E94Very high92.6Very high67 Ų6778 Ų7831%0.31340%0.4SS..Hα-helixtrans-66.5-49.8175.9-169.3171.2-128.100111.4A149 D150 T155 A156 E157 R181A149-E153 WeakPolarHBondContact O-CB 3.46Å; A149-E153 PolarHBondContact O-N 3.27Å; D150-E153 PolarHBondContact O-N 3.34Å; E153-T155 PolarHBondContact O-N 2.97Å; E153-A156 PolarHBondContact O-N 2.97Å; E153-A156 VanDerWaalsContact O-N 3.09Å; E153-E157 WeakPolarHBondContact O-CG 3.42Å; E153-E157 PolarHBondContact O-N 2.78Å; E153-R181 IonicContact OE1-CZ 2.67Å; E153-R181 IonicContact OE1-NH2 2.85Å; E153-R181 PolarHBondContact OE1-NH2 3.36Å; E153-R181 IonicContact OE2-CZ 2.74Å; E153-R181 IonicContact OE2-NH1 3.24Å; E153-R181 IonicContact OE2-NH2 2.63Å; E153-R181 PolarHBondContact OE2-NH2 3.12Å
154Q94.3Very high91.7Very high96 Ų9680.1 Ų80.145%0.44942%0.418SS..Hα-helixtrans-57.9-38.3174.3-75.3-178.633.700112.4D150 R158D150-Q154 WeakPolarHBondContact O-CG 3.28Å; D150-Q154 PolarHBondContact O-N 2.98Å; Q154-R158 WeakPolarHBondContact O-CB 3.49Å; Q154-R158 VanDerWaalsContact O-CG 3.25Å; Q154-R158 WeakPolarHBondContact O-CG 3.39Å; Q154-R158 PolarHBondContact O-N 3.25Å
155T91.6Very high90.8Very high72 Ų7276.8 Ų76.844%0.44241%0.407SS..Hα-helixtrans-67.6-41.1177.4-57.90000111.3E151 A152 E153 L159E151-T155 WeakPolarHBondContact O-CB 3.32Å; E151-T155 PolarHBondContact O-N 3.31Å; E151-T155 PolarHBondContact O-OG1 3.41Å; A152-T155 PolarHBondContact O-N 2.96Å; E153-T155 PolarHBondContact O-N 2.97Å; T155-L159 WeakPolarHBondContact O-CB 3.46Å; T155-L159 PolarHBondContact O-N 3.47Å
156A91.1Very high90.3Very high6 Ų675.4 Ų75.45%0.0541%0.409CS..Hα-helixtrans-64.9-43.2176.300000111.8A152 E153 L159 G160 M173A152-A156 WeakPolarHBondContact O-CB 3.49Å; A152-A156 PolarHBondContact O-N 3.3Å; E153-A156 PolarHBondContact O-N 2.97Å; E153-A156 VanDerWaalsContact O-N 3.09Å; A156-L159 PolarHBondContact O-N 3.21Å; A156-G160 PolarHBondContact O-N 3.28Å; A156-M173 HydrophobicContact CB-CB 4.13Å
157E90.3Very high89.7Confident119 Ų11979 Ų7956%0.55643%0.432SS*.Hα-helixtrans-61.7-47.4175.7-73.3-179.1170.500112.3E153 L159 G160 N161E153-E157 WeakPolarHBondContact O-CG 3.42Å; E153-E157 PolarHBondContact O-N 2.78Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.4Å; E157-G160 PolarHBondContact O-N 3.31Å; E157-N161 PolarHBondContact O-N 3.5Å; E157-N161 VanDerWaalsContact O-N 3.07Å; E157-N161 PolarHBondContact O-ND2 3.41Å
158R90.6Very high89.2Confident169 Ų16981.6 Ų81.664%0.63844%0.443SS*.Hα-helixtrans-60-41.3176.8-73.6176.2-163168.79.6111.8Q154 N161 A162Q154-R158 WeakPolarHBondContact O-CB 3.49Å; Q154-R158 VanDerWaalsContact O-CG 3.25Å; Q154-R158 WeakPolarHBondContact O-CG 3.39Å; Q154-R158 PolarHBondContact O-N 3.25Å; R158-N161 PolarHBondContact O-N 2.92Å; R158-A162 PolarHBondContact O-N 3.11Å
159L88.9Confident88.7Confident55 Ų5582.8 Ų82.829%0.28845%0.449SS..Hα-helixtrans-70.1-37.3178.1-159.986.2000111.8T155 A156 E157 N161 A162 A165 Q169 M173T155-L159 WeakPolarHBondContact O-CB 3.46Å; T155-L159 PolarHBondContact O-N 3.47Å; A156-L159 PolarHBondContact O-N 3.21Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.4Å; L159-N161 VanDerWaalsContact C-N 3.26Å; L159-N161 PolarHBondContact O-N 2.94Å; L159-A162 WeakPolarHBondContact O-CB 3.32Å; L159-A162 PolarHBondContact O-N 3.24Å; L159-A165 HydrophobicContact CG-CB 4.16Å; L159-A165 WeakPolarHBondContact O-CB 3.29Å; L159-Q169 HydrophobicContact CD2-CB 4Å; L159-M173 HydrophobicContact CD2-CB 4.23Å; L159-M173 HydrophobicContact CD2-CG 3.59Å
160G85.6Confident88.2Confident39 Ų3984.9 Ų84.940%0.40246%0.459SS..Hα-helixtrans-63.3-31.1175.800000113.4A156 E157A156-G160 PolarHBondContact O-N 3.28Å; E157-G160 PolarHBondContact O-N 3.31Å
161N85.4Confident87.9Confident141 Ų14187.2 Ų87.275%0.75447%0.468SS*.THydrogen-bonded Turntrans-87.7-3177.1-67.1-30000113.8E157 R158 L159E157-N161 PolarHBondContact O-N 3.5Å; E157-N161 VanDerWaalsContact O-N 3.07Å; E157-N161 PolarHBondContact O-ND2 3.41Å; R158-N161 PolarHBondContact O-N 2.92Å; L159-N161 VanDerWaalsContact C-N 3.26Å; L159-N161 PolarHBondContact O-N 2.94Å
162A86.7Confident87.6Confident33 Ų3388.3 Ų88.327%0.27347%0.471SS..  trans-85.3125.5-176.800000111.6R158 L159 T164 A165R158-A162 PolarHBondContact O-N 3.11Å; L159-A162 WeakPolarHBondContact O-CB 3.32Å; L159-A162 PolarHBondContact O-N 3.24Å; A162-T164 PolarHBondContact O-N 2.77Å; A162-T164 VanDerWaalsContact O-N 3.07Å; A162-A165 HydrophobicContact CB-CB 4.29Å; A162-A165 WeakPolarHBondContact O-CB 3.42Å; A162-A165 PolarHBondContact O-N 2.88Å; A162-A165 VanDerWaalsContact O-N 3.13Å
163P77.4Confident87.4Confident137 Ų13789.7 Ų89.789%0.8948%0.475SS*.THydrogen-bonded Turntrans-67.2-12.6-175.824-32.8000114.6
164T80.4Confident87.2Confident129 Ų12990.3 Ų90.379%0.79148%0.481SS*.THydrogen-bonded Turntrans-99.4-0.3178.552.70000113.8A162A162-T164 PolarHBondContact O-N 2.77Å; A162-T164 VanDerWaalsContact O-N 3.07Å
165A77.9Confident87.2Confident22 Ų2290.1 Ų90.118%0.18248%0.483CS..  trans-78.7131.1-175.100000111.9L159 A162 I170L159-A165 HydrophobicContact CG-CB 4.16Å; L159-A165 WeakPolarHBondContact O-CB 3.29Å; A162-A165 HydrophobicContact CB-CB 4.29Å; A162-A165 WeakPolarHBondContact O-CB 3.42Å; A162-A165 PolarHBondContact O-N 2.88Å; A162-A165 VanDerWaalsContact O-N 3.13Å; A165-I170 HydrophobicContact CB-CD1 4.02Å; A165-I170 HydrophobicContact CB-CG1 3.93Å
166T87.2Confident87.2Confident67 Ų6792.2 Ų92.241%0.41149%0.486SS..  trans-82150.6175.459.40000111.4K168 Q169 I170T166-K168 PolarHBondContact O-N 2.6Å; T166-Q169 WeakPolarHBondContact O-CB 3.23Å; T166-Q169 PolarHBondContact O-N 3.33Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.48Å; T166-Q169 PolarHBondContact OG1-OE1 3.1Å; T166-I170 PolarHBondContact O-N 3.19Å; T166-I170 VanDerWaalsContact O-N 3.08Å
167P84.5Confident87.4Confident108 Ų10892.7 Ų92.770%0.70149%0.489SS*.Hα-helixtrans-53.1-40178.1-27.734.3000113.4Q169 I170 E171P167-Q169 VanDerWaalsContact C-N 3.35Å; P167-Q169 PolarHBondContact O-N 3.27Å; P167-I170 PolarHBondContact O-N 2.99Å; P167-E171 WeakPolarHBondContact O-CB 3.35Å; P167-E171 PolarHBondContact O-N 2.6Å
168K87.8Confident87.6Confident172 Ų17293.3 Ų93.375%0.74849%0.489SS*.Hα-helixtrans-62.8-35.7175.5-91.4-175.4173179.80113.5T166 K172T166-K168 PolarHBondContact O-N 2.6Å; K168-K172 WeakPolarHBondContact O-CB 3.4Å; K168-K172 PolarHBondContact O-N 3.44Å; K168-K172 VanDerWaalsContact O-N 3.1Å
169Q86.7Confident87.8Confident100 Ų10091.5 Ų91.547%0.46749%0.488SS..Hα-helixtrans-74.1-39.4178.6-72.9166.4-3800111.4L159 T166 P167 K172 M173L159-Q169 HydrophobicContact CD2-CB 4Å; T166-Q169 WeakPolarHBondContact O-CB 3.23Å; T166-Q169 PolarHBondContact O-N 3.33Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.48Å; T166-Q169 PolarHBondContact OG1-OE1 3.1Å; P167-Q169 VanDerWaalsContact C-N 3.35Å; P167-Q169 PolarHBondContact O-N 3.27Å; Q169-K172 PolarHBondContact O-N 3.39Å; Q169-M173 PolarHBondContact O-N 3.46Å; Q169-M173 VanDerWaalsContact O-N 3.08Å
170I85.7Confident88.2Confident45 Ų4590.1 Ų90.123%0.23148%0.483CS..Hα-helixtrans-62.1-49.4174.7-63.2171.5000110A165 T166 P167 K172 M173 N174A165-I170 HydrophobicContact CB-CD1 4.02Å; A165-I170 HydrophobicContact CB-CG1 3.93Å; T166-I170 PolarHBondContact O-N 3.19Å; T166-I170 VanDerWaalsContact O-N 3.08Å; P167-I170 PolarHBondContact O-N 2.99Å; I170-K172 VanDerWaalsContact C-N 3.34Å; I170-K172 PolarHBondContact O-N 3.04Å; I170-M173 PolarHBondContact O-N 3.13Å; I170-N174 WeakPolarHBondContact O-CB 3.4Å; I170-N174 PolarHBondContact O-N 3.12Å
171E89.4Confident88.7Confident119 Ų11993.2 Ų93.256%0.55648%0.483SS*.Hα-helixtrans-58.9-43.9177.7-172-176.5176.900112P167 M173 N174 N175P167-E171 WeakPolarHBondContact O-CB 3.35Å; P167-E171 PolarHBondContact O-N 2.6Å; E171-M173 PolarHBondContact O-N 3.31Å; E171-N174 PolarHBondContact O-N 3.38Å; E171-N175 WeakPolarHBondContact O-CB 3.28Å; E171-N175 VanDerWaalsContact O-CG 3.28Å; E171-N175 PolarHBondContact O-N 3.1Å; E171-N175 PolarHBondContact O-ND2 3.28Å
172K91Very high89.2Confident144 Ų14491.3 Ų91.363%0.62647%0.469SS*.Hα-helixtrans-60.3-42.8176.9-174.1-177.2177.1179.50112.3K168 Q169 I170 K176K168-K172 WeakPolarHBondContact O-CB 3.4Å; K168-K172 PolarHBondContact O-N 3.44Å; K168-K172 VanDerWaalsContact O-N 3.1Å; Q169-K172 PolarHBondContact O-N 3.39Å; I170-K172 VanDerWaalsContact C-N 3.34Å; I170-K172 PolarHBondContact O-N 3.04Å; K172-K176 PolarHBondContact O-N 3.06Å; K172-K176 VanDerWaalsContact O-N 3.07Å
173M89.9Confident89.7Confident43 Ų4390.8 Ų90.821%0.21247%0.465CS..Hα-helixtrans-72.6-37.5179.1-69.4-55.790.800112.4A156 L159 Q169 I170 E171 N175 K176 S177A156-M173 HydrophobicContact CB-CB 4.13Å; L159-M173 HydrophobicContact CD2-CB 4.23Å; L159-M173 HydrophobicContact CD2-CG 3.59Å; Q169-M173 PolarHBondContact O-N 3.46Å; Q169-M173 VanDerWaalsContact O-N 3.08Å; I170-M173 PolarHBondContact O-N 3.13Å; E171-M173 PolarHBondContact O-N 3.31Å; M173-N175 VanDerWaalsContact C-N 3.35Å; M173-N175 PolarHBondContact O-N 3.38Å; M173-K176 HydrophobicContact CE-CD 4.38Å; M173-K176 PolarHBondContact O-N 2.79Å; M173-S177 PolarHBondContact O-N 3.42Å
174N89.9Confident90.7Very high80 Ų8084.6 Ų84.643%0.42843%0.425SS..Hα-helixtrans-61.6-42.6172.7-75.5-18.9000111.8I170 E171 K176 S177 K178I170-N174 WeakPolarHBondContact O-CB 3.4Å; I170-N174 PolarHBondContact O-N 3.12Å; E171-N174 PolarHBondContact O-N 3.38Å; N174-K176 VanDerWaalsContact C-N 3.34Å; N174-K176 PolarHBondContact O-N 3.37Å; N174-S177 PolarHBondContact O-N 3.01Å; N174-K178 WeakPolarHBondContact O-CB 3.44Å; N174-K178 PolarHBondContact O-N 2.93Å
175N92.4Very high91.5Very high92 Ų9281 Ų8149%0.49241%0.408SS..Hα-helixtrans-63.3-40.2175.1-72.5-17.6000112E171 M173 K178 Q179E171-N175 WeakPolarHBondContact O-CB 3.28Å; E171-N175 VanDerWaalsContact O-CG 3.28Å; E171-N175 PolarHBondContact O-N 3.1Å; E171-N175 PolarHBondContact O-ND2 3.28Å; M173-N175 VanDerWaalsContact C-N 3.35Å; M173-N175 PolarHBondContact O-N 3.38Å; N175-K178 PolarHBondContact O-N 2.78Å; N175-Q179 WeakPolarHBondContact O-CB 3.38Å; N175-Q179 PolarHBondContact O-N 3.2Å
176K92.9Very high92.5Very high117 Ų11786.5 Ų86.551%0.50943%0.43SS..Hα-helixtrans-64.2-45.1175.1-172.8-178.9177.8-170.90111.8K172 M173 N174 Q179 C180K172-K176 PolarHBondContact O-N 3.06Å; K172-K176 VanDerWaalsContact O-N 3.07Å; M173-K176 HydrophobicContact CE-CD 4.38Å; M173-K176 PolarHBondContact O-N 2.79Å; N174-K176 VanDerWaalsContact C-N 3.34Å; N174-K176 PolarHBondContact O-N 3.37Å; K176-Q179 PolarHBondContact O-N 3.01Å; K176-C180 PolarHBondContact O-N 3.42Å; K176-C180 PolarHBondContact O-SG 2.91Å; K176-C180 VanDerWaalsContact O-SG 3.41Å
177S93.8Very high93Very high15 Ų1583.9 Ų83.911%0.10542%0.416CS..Hα-helixtrans-57.3-49175.3173.20000111.1M173 N174 Q179 C180 R181M173-S177 PolarHBondContact O-N 3.42Å; N174-S177 PolarHBondContact O-N 3.01Å; S177-Q179 PolarHBondContact O-N 3.34Å; S177-C180 PolarHBondContact O-N 3.42Å; S177-R181 PolarHBondContact O-N 3.39Å
178K95.1Very high93.7Very high132 Ų13281.8 Ų81.857%0.57440%0.396SS*.Hα-helixtrans-57.7-45.8176.6-172.4-178.1177.2-168.50112.2N174 N175 C180 R181 E182N174-K178 WeakPolarHBondContact O-CB 3.44Å; N174-K178 PolarHBondContact O-N 2.93Å; N175-K178 PolarHBondContact O-N 2.78Å; K178-C180 PolarHBondContact O-N 3.26Å; K178-R181 PolarHBondContact O-N 3.34Å; K178-E182 WeakPolarHBondContact CE-OE1 3.44Å; K178-E182 IonicContact NZ-OE1 3.58Å; K178-E182 WeakPolarHBondContact O-CG 3.36Å; K178-E182 PolarHBondContact O-N 3.43Å
179Q96.3Very high94.2Very high132 Ų13277.5 Ų77.562%0.61739%0.388SS*.Hα-helixtrans-62.2-42.6178-172.6-179.621.600112.3N175 K176 S177 R181 E182 A183N175-Q179 WeakPolarHBondContact O-CB 3.38Å; N175-Q179 PolarHBondContact O-N 3.2Å; K176-Q179 PolarHBondContact O-N 3.01Å; S177-Q179 PolarHBondContact O-N 3.34Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 3.49Å; Q179-E182 PolarHBondContact O-N 3.38Å; Q179-A183 WeakPolarHBondContact O-CB 3.49Å; Q179-A183 PolarHBondContact O-N 2.89Å
180C95.9Very high94.7Very high26 Ų2677.4 Ų77.418%0.17639%0.387CS..Hα-helixtrans-63.2-38.8175.1-70.10000111.5A149 A152 K176 S177 K178 A183 A184A149-C180 HydrophobicContact CB-CB 4.1Å; A152-C180 HydrophobicContact CB-CB 4.19Å; K176-C180 PolarHBondContact O-N 3.42Å; K176-C180 PolarHBondContact O-SG 2.91Å; K176-C180 VanDerWaalsContact O-SG 3.41Å; S177-C180 PolarHBondContact O-N 3.42Å; K178-C180 PolarHBondContact O-N 3.26Å; C180-A183 PolarHBondContact O-N 2.97Å; C180-A184 PolarHBondContact O-N 3.48Å
181R96Very high95.3Very high104 Ų10477.5 Ų77.539%0.39239%0.385SS..Hα-helixtrans-66.3-42.4176.3-167.373.793.3-168.25.1112.3D150 E153 S177 K178 Q179 A184 A185D150-R181 IonicContact OD1-NH1 2.71Å; D150-R181 PolarHBondContact OD1-NH1 3.47Å; E153-R181 IonicContact OE1-CZ 2.67Å; E153-R181 IonicContact OE1-NH2 2.85Å; E153-R181 PolarHBondContact OE1-NH2 3.36Å; E153-R181 IonicContact OE2-CZ 2.74Å; E153-R181 IonicContact OE2-NH1 3.24Å; E153-R181 IonicContact OE2-NH2 2.63Å; E153-R181 PolarHBondContact OE2-NH2 3.12Å; S177-R181 PolarHBondContact O-N 3.39Å; K178-R181 PolarHBondContact O-N 3.34Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 3.49Å; R181-A184 PolarHBondContact O-N 3.39Å; R181-A185 PolarHBondContact O-N 3.4Å
182E97.2Very high95.7Very high100 Ų10077 Ų7747%0.46738%0.381SS..Hα-helixtrans-60.2-45.3173.2-73.3171.5178.800111K178 Q179 A184 A185 E186K178-E182 WeakPolarHBondContact CE-OE1 3.44Å; K178-E182 IonicContact NZ-OE1 3.58Å; K178-E182 WeakPolarHBondContact O-CG 3.36Å; K178-E182 PolarHBondContact O-N 3.43Å; Q179-E182 PolarHBondContact O-N 3.38Å; E182-A184 VanDerWaalsContact C-N 3.29Å; E182-A184 PolarHBondContact O-N 3.01Å; E182-A185 PolarHBondContact O-N 3.48Å; E182-A185 VanDerWaalsContact O-N 3.14Å; E182-E186 PolarHBondContact O-N 2.92Å
183A97.3Very high96.1Very high22 Ų2272.1 Ų72.118%0.18237%0.365CS..Hα-helixtrans-63.6-31.6176.800000113.4Q179 C180 A187Q179-A183 WeakPolarHBondContact O-CB 3.49Å; Q179-A183 PolarHBondContact O-N 2.89Å; C180-A183 PolarHBondContact O-N 2.97Å; A183-A187 WeakPolarHBondContact O-CB 3.39Å; A183-A187 PolarHBondContact O-N 3.41Å
184A97.8Very high96.5Very high7 Ų770.2 Ų70.26%0.05836%0.356CS..Hα-helixtrans-71.4-40.9172.500000111.8R145 A149 C180 R181 E182 A187 E188R145-A184 HydrophobicContact CB-CB 4.11Å; A149-A184 HydrophobicContact CB-CB 4.34Å; C180-A184 PolarHBondContact O-N 3.48Å; R181-A184 PolarHBondContact O-N 3.39Å; E182-A184 VanDerWaalsContact C-N 3.29Å; E182-A184 PolarHBondContact O-N 3.01Å; A184-A187 PolarHBondContact O-N 3.33Å; A184-E188 WeakPolarHBondContact O-CB 3.4Å; A184-E188 PolarHBondContact O-N 3.04Å
185A97.9Very high96.9Very high53 Ų5369.9 Ų69.944%0.43835%0.354SS..Hα-helixtrans-64.6-3917600000112.4R181 E182 E188 S189R181-A185 PolarHBondContact O-N 3.4Å; E182-A185 PolarHBondContact O-N 3.48Å; E182-A185 VanDerWaalsContact O-N 3.14Å; A185-E188 WeakPolarHBondContact O-CB 3.3Å; A185-E188 PolarHBondContact O-N 3.05Å; A185-S189 PolarHBondContact O-N 3.47Å
186E97.8Very high97.2Very high139 Ų13970.8 Ų70.865%0.6536%0.355SS*.Hα-helixtrans-62.7-45.1172.4-73.1179.4179.300111.8E182 E188 S189 Q190E182-E186 PolarHBondContact O-N 2.92Å; E186-E188 VanDerWaalsContact C-N 3.3Å; E186-E188 PolarHBondContact O-N 3.39Å; E186-S189 PolarHBondContact O-N 3.18Å; E186-Q190 PolarHBondContact O-N 3.36Å
187A98Very high97.4Very high12 Ų1268.1 Ų68.110%0.09934%0.344CS..Hα-helixtrans-63.2-36.8176.200000112.1Y142 R145 A183 A184 Q190 Y191Y142-A187 HydrophobicContact CD2-CB 4.37Å; R145-A187 HydrophobicContact CB-CB 4.37Å; R145-A187 HydrophobicContact CG-CB 4.2Å; A183-A187 WeakPolarHBondContact O-CB 3.39Å; A183-A187 PolarHBondContact O-N 3.41Å; A184-A187 PolarHBondContact O-N 3.33Å; A187-Q190 PolarHBondContact O-N 2.99Å; A187-Y191 WeakPolarHBondContact O-CB 3.48Å; A187-Y191 PolarHBondContact O-N 2.92Å
188E98.2Very high97.7Very high64 Ų6468.4 Ų68.430%0.29934%0.344SS..Hα-helixtrans-62.8-49.5174.5-166.6-172.1176.100111.5Y142 A184 A185 E186 Q190 Y191 K192Y142-E188 HydrophobicContact CD2-CB 3.73Å; Y142-E188 HydrophobicContact CD2-CG 4.26Å; Y142-E188 HydrophobicContact CE2-CB 3.45Å; Y142-E188 VanDerWaalsContact CE2-CB 3.45Å; Y142-E188 HydrophobicContact CE2-CG 3.67Å; A184-E188 WeakPolarHBondContact O-CB 3.4Å; A184-E188 PolarHBondContact O-N 3.04Å; A185-E188 WeakPolarHBondContact O-CB 3.3Å; A185-E188 PolarHBondContact O-N 3.05Å; E186-E188 VanDerWaalsContact C-N 3.3Å; E186-E188 PolarHBondContact O-N 3.39Å; E188-Q190 VanDerWaalsContact C-N 3.28Å; E188-Q190 PolarHBondContact O-N 2.96Å; E188-Y191 PolarHBondContact O-N 3.19Å; E188-Y191 VanDerWaalsContact O-N 3.17Å; E188-K192 HydrophobicContact CG-CD 4.37Å; E188-K192 WeakPolarHBondContact O-CG 3.47Å; E188-K192 PolarHBondContact O-N 2.82Å; E188-K192 WeakPolarHBondContact OE1-CE 3.37Å; E188-K192 IonicContact OE1-NZ 2.63Å; E188-K192 PolarHBondContact OE1-NZ 3.24Å
189S98.1Very high97.8Very high81 Ų8165 Ų6557%0.56633%0.333SS*.Hα-helixtrans-57.8-43.7177.8-175.30000111.1A185 E186 K192 S193A185-S189 PolarHBondContact O-N 3.47Å; E186-S189 PolarHBondContact O-N 3.18Å; S189-K192 PolarHBondContact O-N 3.39Å; S189-S193 WeakPolarHBondContact O-CB 3.48Å; S189-S193 PolarHBondContact O-N 3.39Å
190Q98.1Very high97.9Very high98 Ų9865.3 Ų65.346%0.45833%0.328SS..Hα-helixtrans-65.1-40.6176.4-175.357.67900112.7E186 A187 E188 N194E186-Q190 PolarHBondContact O-N 3.36Å; A187-Q190 PolarHBondContact O-N 2.99Å; E188-Q190 VanDerWaalsContact C-N 3.28Å; E188-Q190 PolarHBondContact O-N 2.96Å; Q190-N194 PolarHBondContact NE2-OD1 3.29Å; Q190-N194 VanDerWaalsContact O-CG 3.31Å; Q190-N194 PolarHBondContact O-N 2.93Å; Q190-N194 PolarHBondContact O-ND2 3.21Å
191Y98.6Very high98Very high48 Ų4864.6 Ų64.619%0.18832%0.322CS..Hα-helixtrans-65.1-46.3176.5176.9-142.6000111.2T135 S138 K139 Y142 A187 E188 S193 N194 I195T135-Y191 HydrophobicContact CG2-CD2 4.26Å; T135-Y191 HydrophobicContact CG2-CE2 3.79Å; S138-Y191 WeakPolarHBondContact OG-CD2 3.34Å; K139-Y191 HydrophobicContact CB-CD2 4.1Å; K139-Y191 HydrophobicContact CB-CE1 4.2Å; K139-Y191 HydrophobicContact CB-CE2 3.57Å; K139-Y191 HydrophobicContact CG-CE1 4.07Å; K139-Y191 HydrophobicContact CG-CE2 4.2Å; Y142-Y191 AromaticContact CD1-CD1 3.92Å; Y142-Y191 HydrophobicContact CD1-CD1 3.92Å; Y142-Y191 HydrophobicContact CD1-CE1 4.43Å; Y142-Y191 HydrophobicContact CG-CD1 4.38Å; A187-Y191 WeakPolarHBondContact O-CB 3.48Å; A187-Y191 PolarHBondContact O-N 2.92Å; E188-Y191 PolarHBondContact O-N 3.19Å; E188-Y191 VanDerWaalsContact O-N 3.17Å; Y191-S193 VanDerWaalsContact C-N 3.35Å; Y191-S193 PolarHBondContact O-N 3.35Å; Y191-N194 PolarHBondContact O-N 2.89Å; Y191-N194 VanDerWaalsContact O-N 3.12Å; Y191-I195 HydrophobicContact CD1-CD1 4.33Å; Y191-I195 HydrophobicContact CD2-CD1 4.05Å; Y191-I195 HydrophobicContact CD2-CG1 3.94Å; Y191-I195 HydrophobicContact CE1-CD1 3.93Å; Y191-I195 HydrophobicContact CE2-CD1 3.62Å; Y191-I195 HydrophobicContact CE2-CG1 3.57Å; Y191-I195 HydrophobicContact CG-CD1 4.39Å; Y191-I195 WeakPolarHBondContact O-CG1 3.44Å; Y191-I195 PolarHBondContact O-N 3.24Å
192K98.4Very high98.1Very high107 Ų10762.8 Ų62.847%0.46532%0.316SS..Hα-helixtrans-56.3-47.2174.5-74.3177.3-178.9167.20111.8E188 S189 N194 I195 E196E188-K192 HydrophobicContact CG-CD 4.37Å; E188-K192 WeakPolarHBondContact O-CG 3.47Å; E188-K192 PolarHBondContact O-N 2.82Å; E188-K192 WeakPolarHBondContact OE1-CE 3.37Å; E188-K192 IonicContact OE1-NZ 2.63Å; E188-K192 PolarHBondContact OE1-NZ 3.24Å; S189-K192 PolarHBondContact O-N 3.39Å; K192-N194 VanDerWaalsContact C-N 3.31Å; K192-N194 PolarHBondContact O-N 2.95Å; K192-I195 WeakPolarHBondContact O-CB 3.21Å; K192-I195 PolarHBondContact O-N 3.38Å; K192-E196 WeakPolarHBondContact O-CG 3.38Å; K192-E196 PolarHBondContact O-N 3.43Å
193S98.4Very high98.2Very high43 Ų4362.9 Ų62.930%0.30132%0.316SS..Hα-helixtrans-60-39.6176.4-174.20000112.8S189 Y191 E196 Q197S189-S193 WeakPolarHBondContact O-CB 3.48Å; S189-S193 PolarHBondContact O-N 3.39Å; Y191-S193 VanDerWaalsContact C-N 3.35Å; Y191-S193 PolarHBondContact O-N 3.35Å; S193-E196 PolarHBondContact O-N 2.93Å; S193-Q197 WeakPolarHBondContact O-CG 3.46Å; S193-Q197 PolarHBondContact O-N 2.92Å; S193-Q197 VanDerWaalsContact O-N 3.09Å
194N98.4Very high98.2Very high3 Ų366.9 Ų66.92%0.01633%0.331CS..Hα-helixtrans-68.6-38.1176.3-72.2-23.5000112.3K134 T135 S138 Q190 Y191 K192 Q197 L198K134-N194 WeakPolarHBondContact CE-OD1 3.45Å; K134-N194 PolarHBondContact NZ-OD1 3.16Å; K134-N194 VanDerWaalsContact NZ-OD1 3.09Å; T135-N194 HydrophobicContact CG2-CB 4.48Å; T135-N194 PolarHBondContact OG1-O 2.9Å; S138-N194 VanDerWaalsContact CB-ND2 3.25Å; S138-N194 WeakPolarHBondContact CB-ND2 3.36Å; S138-N194 PolarHBondContact OG-ND2 3.49Å; Q190-N194 PolarHBondContact NE2-OD1 3.29Å; Q190-N194 VanDerWaalsContact O-CG 3.31Å; Q190-N194 PolarHBondContact O-N 2.93Å; Q190-N194 PolarHBondContact O-ND2 3.21Å; Y191-N194 PolarHBondContact O-N 2.89Å; Y191-N194 VanDerWaalsContact O-N 3.12Å; K192-N194 VanDerWaalsContact C-N 3.31Å; K192-N194 PolarHBondContact O-N 2.95Å; N194-Q197 PolarHBondContact O-N 3.26Å; N194-L198 WeakPolarHBondContact O-CB 3.45Å; N194-L198 PolarHBondContact O-N 2.95Å
195I98.5Very high98.2Very high73 Ų7367.1 Ų67.137%0.37433%0.33SS..Hα-helixtrans-59.6-46.5173.9-67.6171.8000110.4T135 Y191 K192 Q197 L198 D199T135-I195 HydrophobicContact CG2-CG1 3.97Å; Y191-I195 HydrophobicContact CD1-CD1 4.33Å; Y191-I195 HydrophobicContact CD2-CD1 4.05Å; Y191-I195 HydrophobicContact CD2-CG1 3.94Å; Y191-I195 HydrophobicContact CE1-CD1 3.93Å; Y191-I195 HydrophobicContact CE2-CD1 3.62Å; Y191-I195 HydrophobicContact CE2-CG1 3.57Å; Y191-I195 HydrophobicContact CG-CD1 4.39Å; Y191-I195 WeakPolarHBondContact O-CG1 3.44Å; Y191-I195 PolarHBondContact O-N 3.24Å; K192-I195 WeakPolarHBondContact O-CB 3.21Å; K192-I195 PolarHBondContact O-N 3.38Å; I195-Q197 VanDerWaalsContact C-N 3.32Å; I195-Q197 PolarHBondContact O-N 3.06Å; I195-L198 WeakPolarHBondContact O-CB 3.45Å; I195-L198 PolarHBondContact O-N 2.71Å; I195-L198 VanDerWaalsContact O-N 3.15Å; I195-D199 PolarHBondContact O-N 3.29Å
196E98.4Very high98.2Very high111 Ų11167.7 Ų67.752%0.51932%0.324SS..Hα-helixtrans-62.7-39.2178.7-68.9174.3-174.400112.1K192 S193 R200K192-E196 WeakPolarHBondContact O-CG 3.38Å; K192-E196 PolarHBondContact O-N 3.43Å; S193-E196 PolarHBondContact O-N 2.93Å; E196-R200 WeakPolarHBondContact O-CG 3.48Å; E196-R200 PolarHBondContact O-N 3.46Å; E196-R200 PolarHBondContact O-NH1 3.48Å
197Q98.3Very high98.2Very high61 Ų6164.1 Ų64.129%0.28531%0.314SS..Hα-helixtrans-64.3-41173.3-72.8175.710.500111.7L131 S193 N194 I195 R200 I201L131-Q197 HydrophobicContact CD2-CB 4.45Å; S193-Q197 WeakPolarHBondContact O-CG 3.46Å; S193-Q197 PolarHBondContact O-N 2.92Å; S193-Q197 VanDerWaalsContact O-N 3.09Å; N194-Q197 PolarHBondContact O-N 3.26Å; I195-Q197 VanDerWaalsContact C-N 3.32Å; I195-Q197 PolarHBondContact O-N 3.06Å; Q197-R200 PolarHBondContact O-N 3.42Å; Q197-I201 PolarHBondContact O-N 3.31Å
198L98.5Very high98.2Very high21 Ų2164.5 Ų64.511%0.1132%0.315CS..Hα-helixtrans-65.9-40.5178.7-177.460.4000112.2F14 L131 Y132 T135 N194 I195 I201 R202F14-L198 HydrophobicContact CE1-CD1 3.66Å; F14-L198 HydrophobicContact CE1-CD2 4.48Å; F14-L198 HydrophobicContact CE1-CG 4.31Å; F14-L198 HydrophobicContact CZ-CD1 3.66Å; F14-L198 HydrophobicContact CZ-CD2 4.25Å; F14-L198 HydrophobicContact CZ-CG 3.9Å; L131-L198 HydrophobicContact CB-CD1 4.05Å; Y132-L198 HydrophobicContact CD2-CD2 4.13Å; T135-L198 HydrophobicContact CG2-CD2 3.9Å; N194-L198 WeakPolarHBondContact O-CB 3.45Å; N194-L198 PolarHBondContact O-N 2.95Å; I195-L198 WeakPolarHBondContact O-CB 3.45Å; I195-L198 PolarHBondContact O-N 2.71Å; I195-L198 VanDerWaalsContact O-N 3.15Å; L198-I201 HydrophobicContact CD1-CG2 4.12Å; L198-I201 WeakPolarHBondContact O-CG2 3.39Å; L198-I201 PolarHBondContact O-N 2.97Å; L198-R202 WeakPolarHBondContact O-CB 3.38Å; L198-R202 PolarHBondContact O-N 3.44Å
199D98.4Very high98.2Very high61 Ų6161.5 Ų61.533%0.32630%0.301SS..Hα-helixtrans-69-37.8178.7-169.456.9000111.7I195 I201 R202 Q203I195-D199 PolarHBondContact O-N 3.29Å; D199-I201 PolarHBondContact O-N 3.05Å; D199-R202 WeakPolarHBondContact O-CB 3.47Å; D199-R202 PolarHBondContact O-N 3Å; D199-R202 IonicContact OD1-CZ 3.05Å; D199-R202 VanDerWaalsContact OD1-CZ 3.25Å; D199-R202 IonicContact OD1-NE 3.82Å; D199-R202 PolarHBondContact OD1-NE 3.41Å; D199-R202 IonicContact OD1-NH2 3.94Å; D199-R202 PolarHBondContact OD1-NH2 3.03Å; D199-R202 IonicContact OD2-NH2 3.94Å; D199-Q203 WeakPolarHBondContact O-CG 3.39Å; D199-Q203 PolarHBondContact O-N 2.64Å; D199-Q203 PolarHBondContact OD2-NE2 2.96Å
200R98.3Very high98.2Very high138 Ų13859.6 Ų59.652%0.52129%0.286SS..Hα-helixtrans-58.9-48.7173.6-75.1-170.4-65.8-89.77.3112.4E196 Q197 R202 Q203 E204E196-R200 WeakPolarHBondContact O-CG 3.48Å; E196-R200 PolarHBondContact O-N 3.46Å; E196-R200 PolarHBondContact O-NH1 3.48Å; Q197-R200 PolarHBondContact O-N 3.42Å; R200-R202 VanDerWaalsContact C-N 3.31Å; R200-R202 PolarHBondContact O-N 3.21Å; R200-Q203 PolarHBondContact O-N 2.97Å; R200-E204 PolarHBondContact O-N 2.79Å; R200-E204 VanDerWaalsContact O-N 3.1Å
201I98.2Very high98.2Very high10 Ų1060.1 Ų60.15%0.05129%0.289CS..Hα-helixtrans-69.7-29.1178.1-168.161.3000112.2V124 T127 K128 L131 Q197 L198 D199 E204 W205V124-I201 HydrophobicContact CG1-CD1 4.08Å; T127-I201 HydrophobicContact CG2-CD1 3.91Å; T127-I201 HydrophobicContact CG2-CG1 4.07Å; K128-I201 HydrophobicContact CB-CG1 4.11Å; L131-I201 HydrophobicContact CB-CG2 4.21Å; L131-I201 HydrophobicContact CD1-CB 3.86Å; L131-I201 HydrophobicContact CD1-CG1 4.33Å; L131-I201 HydrophobicContact CD1-CG2 3.56Å; Q197-I201 PolarHBondContact O-N 3.31Å; L198-I201 HydrophobicContact CD1-CG2 4.12Å; L198-I201 WeakPolarHBondContact O-CG2 3.39Å; L198-I201 PolarHBondContact O-N 2.97Å; D199-I201 PolarHBondContact O-N 3.05Å; I201-E204 HydrophobicContact CD1-CB 4.4Å; I201-E204 WeakPolarHBondContact CD1-OE2 3.31Å; I201-W205 VanDerWaalsContact O-CB 3.24Å; I201-W205 WeakPolarHBondContact O-CB 3.44Å; I201-W205 PolarHBondContact O-N 2.74Å
202R98Very high98.1Very high67 Ų6758 Ų5825%0.25328%0.28SS..Hα-helixtrans-61.6-48.7174-179.8-167.566.382.42.8110.4F14 L198 D199 R200 W205 E206F14-R202 HydrophobicContact CE2-CB 4.33Å; F14-R202 HydrophobicContact CE2-CG 3.98Å; F14-R202 HydrophobicContact CZ-CB 4.12Å; F14-R202 HydrophobicContact CZ-CG 4.23Å; L198-R202 WeakPolarHBondContact O-CB 3.38Å; L198-R202 PolarHBondContact O-N 3.44Å; D199-R202 WeakPolarHBondContact O-CB 3.47Å; D199-R202 PolarHBondContact O-N 3Å; D199-R202 IonicContact OD1-CZ 3.05Å; D199-R202 VanDerWaalsContact OD1-CZ 3.25Å; D199-R202 IonicContact OD1-NE 3.82Å; D199-R202 PolarHBondContact OD1-NE 3.41Å; D199-R202 IonicContact OD1-NH2 3.94Å; D199-R202 PolarHBondContact OD1-NH2 3.03Å; D199-R202 IonicContact OD2-NH2 3.94Å; R200-R202 VanDerWaalsContact C-N 3.31Å; R200-R202 PolarHBondContact O-N 3.21Å; R202-W205 PolarHBondContact O-N 3.3Å; R202-E206 WeakPolarHBondContact CG-OE1 3.36Å; R202-E206 IonicContact CZ-OE1 3.9Å; R202-E206 IonicContact CZ-OE2 4Å; R202-E206 IonicContact NH1-OE1 2.66Å; R202-E206 PolarHBondContact NH1-OE1 3.04Å; R202-E206 IonicContact NH1-OE2 3.15Å; R202-E206 PolarHBondContact NH1-OE2 3.37Å; R202-E206 WeakPolarHBondContact O-CG 3.44Å; R202-E206 PolarHBondContact O-N 3.3Å
203Q98.3Very high98.1Very high101 Ų10152.9 Ų52.947%0.47226%0.258SS..Hα-helixtrans-64.3-42.6179-65.7176.220.800111.9D199 R200 W205 E206 S207D199-Q203 WeakPolarHBondContact O-CG 3.39Å; D199-Q203 PolarHBondContact O-N 2.64Å; D199-Q203 PolarHBondContact OD2-NE2 2.96Å; R200-Q203 PolarHBondContact O-N 2.97Å; Q203-W205 VanDerWaalsContact C-N 3.34Å; Q203-W205 PolarHBondContact O-N 3.33Å; Q203-E206 PolarHBondContact O-N 3.36Å; Q203-S207 PolarHBondContact O-N 2.92Å
204E98.1Very high98.1Very high107 Ų10755 Ų5550%0.526%0.263SS..Hα-helixtrans-60.1-43.9174.1-176.7-177.9169.500111.5V124 R200 I201 T208V124-E204 HydrophobicContact CG1-CG 4.49Å; R200-E204 PolarHBondContact O-N 2.79Å; R200-E204 VanDerWaalsContact O-N 3.1Å; I201-E204 HydrophobicContact CD1-CB 4.4Å; I201-E204 WeakPolarHBondContact CD1-OE2 3.31Å; E204-T208 WeakPolarHBondContact O-CB 3.45Å; E204-T208 PolarHBondContact O-N 3.37Å; E204-T208 PolarHBondContact O-OG1 3.46Å
205W98.2Very high98Very high12 Ų1256.6 Ų56.65%0.04527%0.271CS..Hα-helixtrans-64-43.2176.3-177.990.5000112.5W10 M121 V124 K128 I201 R202 Q203 T208 H209W10-W205 HydrophobicContact CE3-CH2 4.27Å; W10-W205 HydrophobicContact CE3-CZ3 4.06Å; W10-W205 HydrophobicContact CZ3-CH2 4.37Å; W10-W205 AromaticContact CZ3-CZ3 3.83Å; W10-W205 HydrophobicContact CZ3-CZ3 3.83Å; M121-W205 HydrophobicContact CE-CZ2 3.61Å; V124-W205 HydrophobicContact CG1-CB 3.71Å; V124-W205 HydrophobicContact CG1-CG 4.18Å; K128-W205 HydrophobicContact CD-CB 3.93Å; K128-W205 HydrophobicContact CD-CD2 3.86Å; K128-W205 HydrophobicContact CD-CE3 4.43Å; K128-W205 HydrophobicContact CD-CG 3.58Å; K128-W205 VanDerWaalsContact NZ-CD2 3.34Å; I201-W205 VanDerWaalsContact O-CB 3.24Å; I201-W205 WeakPolarHBondContact O-CB 3.44Å; I201-W205 PolarHBondContact O-N 2.74Å; R202-W205 PolarHBondContact O-N 3.3Å; Q203-W205 VanDerWaalsContact C-N 3.34Å; Q203-W205 PolarHBondContact O-N 3.33Å; W205-T208 PolarHBondContact O-N 2.99Å; W205-H209 HydrophobicContact CE3-CB 4.48Å; W205-H209 HydrophobicContact CH2-CB 4.38Å; W205-H209 HydrophobicContact CZ2-CB 4.46Å; W205-H209 HydrophobicContact CZ3-CB 4.4Å; W205-H209 VanDerWaalsContact O-CB 3.23Å; W205-H209 WeakPolarHBondContact O-CB 3.5Å; W205-H209 PolarHBondContact O-N 2.71Å
206E97.8Very high97.9Very high65 Ų6553.1 Ų53.130%0.30425%0.253SS..Hα-helixtrans-62.1-46.1178.1-76.8169.8-170.100111.4W10 R202 Q203 H209 V210W10-E206 HydrophobicContact CZ3-CG 4.34Å; R202-E206 WeakPolarHBondContact CG-OE1 3.36Å; R202-E206 IonicContact CZ-OE1 3.9Å; R202-E206 IonicContact CZ-OE2 4Å; R202-E206 IonicContact NH1-OE1 2.66Å; R202-E206 PolarHBondContact NH1-OE1 3.04Å; R202-E206 IonicContact NH1-OE2 3.15Å; R202-E206 PolarHBondContact NH1-OE2 3.37Å; R202-E206 WeakPolarHBondContact O-CG 3.44Å; R202-E206 PolarHBondContact O-N 3.3Å; Q203-E206 PolarHBondContact O-N 3.36Å; E206-H209 PolarHBondContact O-N 2.95Å; E206-V210 WeakPolarHBondContact O-CG2 3.41Å; E206-V210 PolarHBondContact O-N 3.49Å
207S98Very high97.9Very high64 Ų6449.3 Ų49.345%0.44824%0.235SC..Hα-helixtrans-59.6-49.3175.2-165.50000111.3Q203 H209 V210 E211Q203-S207 PolarHBondContact O-N 2.92Å; S207-H209 VanDerWaalsContact C-N 3.33Å; S207-H209 PolarHBondContact O-N 2.63Å; S207-V210 PolarHBondContact O-N 3.09Å; S207-E211 WeakPolarHBondContact O-CG 3.36Å; S207-E211 PolarHBondContact O-N 3.15Å; S207-E211 PolarHBondContact OG-OE1 3.1Å
208T97.8Very high97.9Very high19 Ų1950.7 Ų50.712%0.11724%0.242CC..Hα-helixtrans-60.2-42.9179.3-56.70000111.6I120 V124 E204 W205 E211 I212I120-T208 HydrophobicContact CG2-CG2 3.84Å; V124-T208 HydrophobicContact CG2-CG2 4.49Å; E204-T208 WeakPolarHBondContact O-CB 3.45Å; E204-T208 PolarHBondContact O-N 3.37Å; E204-T208 PolarHBondContact O-OG1 3.46Å; W205-T208 PolarHBondContact O-N 2.99Å; T208-E211 PolarHBondContact O-N 3.24Å; T208-I212 HydrophobicContact CG2-CD1 3.83Å; T208-I212 HydrophobicContact CG2-CG1 4.46Å; T208-I212 WeakPolarHBondContact O-CB 3.5Å; T208-I212 VanDerWaalsContact O-CG1 3.26Å; T208-I212 WeakPolarHBondContact O-CG1 3.41Å; T208-I212 PolarHBondContact O-N 2.67Å
209H97.8Very high97.8Very high2 Ų249.8 Ų49.81%0.00924%0.237CC..Hα-helixtrans-64.5-42.6-179.7-176.876.2000111.7F9 W10 M121 W205 E206 S207 I212 C213F9-H209 PolarHBondContact O-CE1 3.24Å; F9-H209 VanDerWaalsContact O-CE1 3.24Å; F9-H209 PolarHBondContact O-NE2 3.44Å; W10-H209 AromaticContact CE3-CD2 3.71Å; W10-H209 AromaticContact CH2-CD2 3.87Å; W10-H209 HydrophobicContact CZ3-CB 4.49Å; W10-H209 AromaticContact CZ3-CD2 3.47Å; W10-H209 VanDerWaalsContact CZ3-CD2 3.47Å; W10-H209 WeakPolarHBondContact CZ3-CD2 3.44Å; M121-H209 HydrophobicContact CE-CB 4.25Å; M121-H209 WeakPolarHBondContact CE-ND1 3.31Å; W205-H209 HydrophobicContact CE3-CB 4.48Å; W205-H209 HydrophobicContact CH2-CB 4.38Å; W205-H209 HydrophobicContact CZ2-CB 4.46Å; W205-H209 HydrophobicContact CZ3-CB 4.4Å; W205-H209 VanDerWaalsContact O-CB 3.23Å; W205-H209 WeakPolarHBondContact O-CB 3.5Å; W205-H209 PolarHBondContact O-N 2.71Å; E206-H209 PolarHBondContact O-N 2.95Å; S207-H209 VanDerWaalsContact C-N 3.33Å; S207-H209 PolarHBondContact O-N 2.63Å; H209-I212 PolarHBondContact O-N 3.39Å; H209-C213 PolarHBondContact NE2-SG 3.15Å; H209-C213 VanDerWaalsContact NE2-SG 3.45Å; H209-C213 WeakPolarHBondContact O-CB 3.46Å; H209-C213 PolarHBondContact O-N 2.9Å; H209-C213 PolarHBondContact O-SG 2.72Å
210V97.9Very high97.8Very high40 Ų4047.5 Ų47.524%0.24222%0.224CC..Hα-helixtrans-60.9-50.1175.7166.30000111.1K6 W10 E206 S207 I212 C213 E214K6-V210 HydrophobicContact CB-CB 4.47Å; K6-V210 HydrophobicContact CB-CG1 4.12Å; K6-V210 HydrophobicContact CB-CG2 4.36Å; K6-V210 HydrophobicContact CD-CG1 3.81Å; W10-V210 HydrophobicContact CH2-CG2 3.85Å; W10-V210 HydrophobicContact CZ2-CG2 4.13Å; E206-V210 WeakPolarHBondContact O-CG2 3.41Å; E206-V210 PolarHBondContact O-N 3.49Å; S207-V210 PolarHBondContact O-N 3.09Å; V210-I212 VanDerWaalsContact C-N 3.31Å; V210-I212 PolarHBondContact O-N 3.29Å; V210-C213 WeakPolarHBondContact O-CB 3.35Å; V210-C213 PolarHBondContact O-N 2.85Å; V210-C213 VanDerWaalsContact O-N 3.15Å; V210-E214 WeakPolarHBondContact O-CG 3.32Å; V210-E214 PolarHBondContact O-N 3.15Å
211E97.6Very high97.8Very high110 Ų11045.2 Ų45.251%0.51422%0.22SC..Hα-helixtrans-58.7-42.9179-71.8170.1-152.100111.9S207 T208 E214 M215S207-E211 WeakPolarHBondContact O-CG 3.36Å; S207-E211 PolarHBondContact O-N 3.15Å; S207-E211 PolarHBondContact OG-OE1 3.1Å; T208-E211 PolarHBondContact O-N 3.24Å; E211-E214 PolarHBondContact O-N 3.48Å; E211-M215 WeakPolarHBondContact O-CB 3.17Å; E211-M215 PolarHBondContact O-N 3.02Å
212I97.8Very high97.7Very high2 Ų248 Ų481%0.0124%0.235CC..Hα-helixtrans-66.6-39.8177.3-71.4177.5000111.4Y20 F117 M121 T208 H209 V210 M215 F216Y20-I212 HydrophobicContact CD2-CG2 4.33Å; Y20-I212 HydrophobicContact CE2-CG2 4.06Å; F117-I212 HydrophobicContact CB-CD1 4.26Å; F117-I212 HydrophobicContact CB-CG1 4.19Å; F117-I212 HydrophobicContact CD1-CD1 4.44Å; F117-I212 HydrophobicContact CD1-CG1 3.83Å; F117-I212 HydrophobicContact CG-CG1 4.37Å; M121-I212 HydrophobicContact CB-CD1 3.71Å; M121-I212 HydrophobicContact CG-CD1 4.33Å; M121-I212 HydrophobicContact SD-CD1 4.25Å; T208-I212 HydrophobicContact CG2-CD1 3.83Å; T208-I212 HydrophobicContact CG2-CG1 4.46Å; T208-I212 WeakPolarHBondContact O-CB 3.5Å; T208-I212 VanDerWaalsContact O-CG1 3.26Å; T208-I212 WeakPolarHBondContact O-CG1 3.41Å; T208-I212 PolarHBondContact O-N 2.67Å; H209-I212 PolarHBondContact O-N 3.39Å; V210-I212 VanDerWaalsContact C-N 3.31Å; V210-I212 PolarHBondContact O-N 3.29Å; I212-M215 WeakPolarHBondContact O-CB 3.46Å; I212-M215 PolarHBondContact O-N 3.43Å; I212-F216 HydrophobicContact CG2-CD1 4.31Å; I212-F216 HydrophobicContact CG2-CD2 3.76Å; I212-F216 HydrophobicContact CG2-CE1 4.08Å; I212-F216 HydrophobicContact CG2-CE2 3.5Å; I212-F216 HydrophobicContact CG2-CG 4.17Å; I212-F216 HydrophobicContact CG2-CZ 3.68Å; I212-F216 WeakPolarHBondContact O-CB 3.2Å; I212-F216 VanDerWaalsContact O-CG 3.3Å; I212-F216 WeakPolarHBondContact O-CG 3.36Å; I212-F216 PolarHBondContact O-N 3.32Å
213C98.2Very high97.8Very high0 Ų045.8 Ų45.80%023%0.226CC..Hα-helixtrans-62.8-45176.9-74.40000112F5 K6 L23 H209 V210 M215 F216 Q217F5-C213 HydrophobicContact CB-CB 3.95Å; K6-C213 HydrophobicContact CB-CB 3.82Å; L23-C213 HydrophobicContact CD1-CB 4.5Å; H209-C213 PolarHBondContact NE2-SG 3.15Å; H209-C213 VanDerWaalsContact NE2-SG 3.45Å; H209-C213 WeakPolarHBondContact O-CB 3.46Å; H209-C213 PolarHBondContact O-N 2.9Å; H209-C213 PolarHBondContact O-SG 2.72Å; V210-C213 WeakPolarHBondContact O-CB 3.35Å; V210-C213 PolarHBondContact O-N 2.85Å; V210-C213 VanDerWaalsContact O-N 3.15Å; C213-M215 VanDerWaalsContact C-N 3.3Å; C213-M215 PolarHBondContact O-N 2.81Å; C213-F216 PolarHBondContact O-N 2.6Å; C213-Q217 WeakPolarHBondContact O-CB 3.3Å; C213-Q217 PolarHBondContact O-N 2.83Å
214E97.3Very high97.8Very high88 Ų8845 Ų4541%0.41123%0.225SC..Hα-helixtrans-61.3-42.4176.2-70.2-179.3157.100111.1K6 V210 E211 Q217 Q218K6-E214 HydrophobicContact CD-CG 3.88Å; K6-E214 VanDerWaalsContact CD-OE1 3.28Å; K6-E214 WeakPolarHBondContact CD-OE1 3.44Å; K6-E214 IonicContact NZ-OE1 2.79Å; K6-E214 PolarHBondContact NZ-OE1 3.36Å; V210-E214 WeakPolarHBondContact O-CG 3.32Å; V210-E214 PolarHBondContact O-N 3.15Å; E211-E214 PolarHBondContact O-N 3.48Å; E214-Q217 PolarHBondContact O-N 3.11Å; E214-Q218 PolarHBondContact O-N 3.48Å
215M96.3Very high97.8Very high36 Ų3642 Ų4218%0.17722%0.216CC..Hα-helixtrans-60.4-55.5174.7-165.1-45.387.400110.6F117 E211 I212 C213 Q217 Q218 Q219F117-M215 HydrophobicContact CD2-CG 3.99Å; F117-M215 HydrophobicContact CD2-SD 4.48Å; F117-M215 HydrophobicContact CE1-CG 4.35Å; F117-M215 HydrophobicContact CE2-CG 3.46Å; F117-M215 VanDerWaalsContact CE2-CG 3.46Å; F117-M215 HydrophobicContact CE2-SD 4.15Å; F117-M215 HydrophobicContact CZ-CG 3.66Å; E211-M215 WeakPolarHBondContact O-CB 3.17Å; E211-M215 PolarHBondContact O-N 3.02Å; I212-M215 WeakPolarHBondContact O-CB 3.46Å; I212-M215 PolarHBondContact O-N 3.43Å; C213-M215 VanDerWaalsContact C-N 3.3Å; C213-M215 PolarHBondContact O-N 2.81Å; M215-Q217 PolarHBondContact O-N 3.13Å; M215-Q218 HydrophobicContact CE-CB 3.95Å; M215-Q218 HydrophobicContact CE-CG 4.39Å; M215-Q218 WeakPolarHBondContact O-CA 3.48Å; M215-Q218 WeakPolarHBondContact O-CB 3.35Å; M215-Q218 PolarHBondContact O-N 2.98Å; M215-Q219 HydrophobicContact CE-CB 4.35Å; M215-Q219 HydrophobicContact CE-CG 3.69Å; M215-Q219 PolarHBondContact O-N 3.31Å; M215-Q219 HydrophobicContact SD-CB 4.38Å; M215-Q219 HydrophobicContact SD-CG 3.62Å; M215-Q219 PolarHBondContact SD-NE2 3.16Å
216F97.9Very high97.7Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-61-33.1-176.8-73.1-3.1000112.8F5 Y20 L23 I24 L27 R114 F117 I212 C213 Q219 E220F5-F216 HydrophobicContact CD2-CB 4.41Å; Y20-F216 HydrophobicContact CD2-CE2 4.31Å; Y20-F216 AromaticContact CE2-CE2 3.76Å; Y20-F216 HydrophobicContact CE2-CE2 3.76Å; Y20-F216 HydrophobicContact CE2-CZ 4.26Å; L23-F216 HydrophobicContact CB-CD2 4.06Å; L23-F216 HydrophobicContact CD1-CD2 4.44Å; I24-F216 HydrophobicContact CD1-CE2 3.47Å; I24-F216 VanDerWaalsContact CD1-CE2 3.47Å; I24-F216 HydrophobicContact CD1-CZ 3.62Å; I24-F216 HydrophobicContact CG1-CE2 4.18Å; L27-F216 HydrophobicContact CD1-CB 3.89Å; L27-F216 HydrophobicContact CD1-CD1 3.59Å; L27-F216 HydrophobicContact CD1-CD2 3.69Å; L27-F216 HydrophobicContact CD1-CE1 3.93Å; L27-F216 HydrophobicContact CD1-CE2 4.01Å; L27-F216 HydrophobicContact CD1-CG 3.45Å; L27-F216 VanDerWaalsContact CD1-CG 3.45Å; L27-F216 HydrophobicContact CD1-CZ 4.12Å; R114-F216 HydrophobicContact CG-CE1 3.98Å; R114-F216 HydrophobicContact CG-CZ 4.02Å; F117-F216 HydrophobicContact CB-CE1 3.99Å; F117-F216 HydrophobicContact CB-CZ 4.18Å; I212-F216 HydrophobicContact CG2-CD1 4.31Å; I212-F216 HydrophobicContact CG2-CD2 3.76Å; I212-F216 HydrophobicContact CG2-CE1 4.08Å; I212-F216 HydrophobicContact CG2-CE2 3.5Å; I212-F216 HydrophobicContact CG2-CG 4.17Å; I212-F216 HydrophobicContact CG2-CZ 3.68Å; I212-F216 WeakPolarHBondContact O-CB 3.2Å; I212-F216 VanDerWaalsContact O-CG 3.3Å; I212-F216 WeakPolarHBondContact O-CG 3.36Å; I212-F216 PolarHBondContact O-N 3.32Å; C213-F216 PolarHBondContact O-N 2.6Å; F216-Q219 PolarHBondContact O-N 3.4Å; F216-E220 PolarHBondContact O-N 2.94Å
217Q98.1Very high97.7Very high32 Ų3241.5 Ų41.515%0.1522%0.218CC..Hα-helixtrans-64.1-47.9171.4-173.5172.4-25.300111.6Q4 F5 C213 E214 M215 Q219 E220 E221Q4-Q217 VanDerWaalsContact CA-OE1 3.28Å; F5-Q217 HydrophobicContact CB-CB 4.22Å; F5-Q217 HydrophobicContact CD1-CB 4.36Å; F5-Q217 HydrophobicContact CD1-CG 4.29Å; F5-Q217 HydrophobicContact CD2-CB 3.64Å; F5-Q217 HydrophobicContact CD2-CG 4.36Å; F5-Q217 HydrophobicContact CE1-CG 4.48Å; F5-Q217 HydrophobicContact CE2-CB 4.06Å; F5-Q217 HydrophobicContact CG-CB 3.82Å; F5-Q217 HydrophobicContact CG-CG 4.25Å; C213-Q217 WeakPolarHBondContact O-CB 3.3Å; C213-Q217 PolarHBondContact O-N 2.83Å; E214-Q217 PolarHBondContact O-N 3.11Å; M215-Q217 PolarHBondContact O-N 3.13Å; Q217-Q219 VanDerWaalsContact C-N 3.3Å; Q217-Q219 PolarHBondContact O-N 3.41Å; Q217-E220 PolarHBondContact O-N 3.11Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.45Å; Q217-E221 PolarHBondContact NE2-OE1 2.99Å; Q217-E221 WeakPolarHBondContact O-CG 3.29Å; Q217-E221 PolarHBondContact O-N 3.44Å
218Q96.9Very high97.8Very high89 Ų8945.7 Ų45.742%0.41622%0.224SC..Hα-helixtrans-59.1-41.1176-175.664.362.700111.9E214 M215 E220 E221 D222E214-Q218 PolarHBondContact O-N 3.48Å; M215-Q218 HydrophobicContact CE-CB 3.95Å; M215-Q218 HydrophobicContact CE-CG 4.39Å; M215-Q218 WeakPolarHBondContact O-CA 3.48Å; M215-Q218 WeakPolarHBondContact O-CB 3.35Å; M215-Q218 PolarHBondContact O-N 2.98Å; Q218-E220 VanDerWaalsContact C-N 3.29Å; Q218-E220 PolarHBondContact O-N 3.25Å; Q218-E221 PolarHBondContact O-N 3.26Å; Q218-D222 PolarHBondContact NE2-OD1 3.24Å; Q218-D222 WeakPolarHBondContact O-CB 3.36Å; Q218-D222 VanDerWaalsContact O-CG 3.23Å; Q218-D222 PolarHBondContact O-N 3.39Å
219Q97.1Very high97.7Very high2 Ų248.4 Ų48.41%0.00924%0.237CC..Hα-helixtrans-60.2-39.6174.6-94.6177.512.500112.2L27 Q110 Q113 M215 F216 Q217 R223L27-Q219 HydrophobicContact CD2-CB 4.25Å; Q110-Q219 PolarHBondContact NE2-O 2.93Å; Q113-Q219 VanDerWaalsContact OE1-NE2 3.14Å; M215-Q219 HydrophobicContact CE-CB 4.35Å; M215-Q219 HydrophobicContact CE-CG 3.69Å; M215-Q219 PolarHBondContact O-N 3.31Å; M215-Q219 HydrophobicContact SD-CB 4.38Å; M215-Q219 HydrophobicContact SD-CG 3.62Å; M215-Q219 PolarHBondContact SD-NE2 3.16Å; F216-Q219 PolarHBondContact O-N 3.4Å; Q217-Q219 VanDerWaalsContact C-N 3.3Å; Q217-Q219 PolarHBondContact O-N 3.41Å; Q219-R223 VanDerWaalsContact O-CB 3.32Å; Q219-R223 WeakPolarHBondContact O-CB 3.41Å; Q219-R223 PolarHBondContact O-N 2.98Å
220E97.7Very high97.6Very high13 Ų1348.8 Ų48.86%0.06124%0.241CC..Hα-helixtrans-70.8-39.7178.9-17653.7-156.400111.7R26 F216 Q217 Q218 R223 I224R26-E220 IonicContact CZ-OE1 3.96Å; R26-E220 VanDerWaalsContact CZ-OE1 3.24Å; R26-E220 IonicContact CZ-OE2 3.25Å; R26-E220 IonicContact NE-OE1 3.67Å; R26-E220 IonicContact NH2-OE1 2.67Å; R26-E220 PolarHBondContact NH2-OE1 2.98Å; R26-E220 IonicContact NH2-OE2 2.81Å; F216-E220 PolarHBondContact O-N 2.94Å; Q217-E220 PolarHBondContact O-N 3.11Å; Q218-E220 VanDerWaalsContact C-N 3.29Å; Q218-E220 PolarHBondContact O-N 3.25Å; E220-R223 WeakPolarHBondContact O-CB 3.44Å; E220-R223 PolarHBondContact O-N 3.14Å; E220-R223 IonicContact OE1-CZ 3.41Å; E220-R223 IonicContact OE1-NE 2.71Å; E220-R223 PolarHBondContact OE1-NE 3.5Å; E220-R223 IonicContact OE1-NH2 2.59Å; E220-R223 PolarHBondContact OE1-NH2 3.1Å; E220-R223 IonicContact OE2-CZ 2.81Å; E220-R223 IonicContact OE2-NE 3.91Å; E220-R223 PolarHBondContact OE2-NE 3Å; E220-R223 IonicContact OE2-NH2 3.88Å; E220-I224 HydrophobicContact CG-CD1 4.19Å; E220-I224 VanDerWaalsContact O-CG1 3.28Å; E220-I224 WeakPolarHBondContact O-CG1 3.42Å; E220-I224 PolarHBondContact O-N 3.06Å
221E97.9Very high97.6Very high91 Ų9150.3 Ų50.343%0.42525%0.248SC..Hα-helixtrans-61.1-47.3173.7-70.5175.5-168.100111.5Q217 Q218 R223 I224 S225Q217-E221 WeakPolarHBondContact CG-OE1 3.45Å; Q217-E221 PolarHBondContact NE2-OE1 2.99Å; Q217-E221 WeakPolarHBondContact O-CG 3.29Å; Q217-E221 PolarHBondContact O-N 3.44Å; Q218-E221 PolarHBondContact O-N 3.26Å; E221-R223 VanDerWaalsContact C-N 3.31Å; E221-R223 PolarHBondContact O-N 2.96Å; E221-I224 PolarHBondContact O-N 3.31Å; E221-S225 WeakPolarHBondContact O-CB 3.45Å; E221-S225 PolarHBondContact O-N 3.4Å
222D97.8Very high97.6Very high69 Ų6953.2 Ų53.237%0.36925%0.254SS..Hα-helixtrans-59.3-44175.6-72.1-7.6000111F106 Q218 S225 V226F106-D222 HydrophobicContact CE2-CB 4.48Å; Q218-D222 PolarHBondContact NE2-OD1 3.24Å; Q218-D222 WeakPolarHBondContact O-CB 3.36Å; Q218-D222 VanDerWaalsContact O-CG 3.23Å; Q218-D222 PolarHBondContact O-N 3.39Å; D222-S225 PolarHBondContact O-N 3.49Å; D222-V226 WeakPolarHBondContact O-CB 3.46Å; D222-V226 VanDerWaalsContact O-CG2 3.28Å; D222-V226 WeakPolarHBondContact O-CG2 3.43Å; D222-V226 PolarHBondContact O-N 3.4Å
223R98.4Very high97.5Very high20 Ų2055.6 Ų55.68%0.07527%0.269CS..Hα-helixtrans-60.7-47.9178.6-170.4-159.366.8707.9111.4G30 F106 Q219 E220 E221 S225 V226 V227G30-R223 VanDerWaalsContact CA-CD 3.47Å; F106-R223 HydrophobicContact CE1-CB 4.32Å; F106-R223 HydrophobicContact CE1-CG 4.18Å; F106-R223 HydrophobicContact CZ-CB 4.16Å; Q219-R223 VanDerWaalsContact O-CB 3.32Å; Q219-R223 WeakPolarHBondContact O-CB 3.41Å; Q219-R223 PolarHBondContact O-N 2.98Å; E220-R223 WeakPolarHBondContact O-CB 3.44Å; E220-R223 PolarHBondContact O-N 3.14Å; E220-R223 IonicContact OE1-CZ 3.41Å; E220-R223 IonicContact OE1-NE 2.71Å; E220-R223 PolarHBondContact OE1-NE 3.5Å; E220-R223 IonicContact OE1-NH2 2.59Å; E220-R223 PolarHBondContact OE1-NH2 3.1Å; E220-R223 IonicContact OE2-CZ 2.81Å; E220-R223 IonicContact OE2-NE 3.91Å; E220-R223 PolarHBondContact OE2-NE 3Å; E220-R223 IonicContact OE2-NH2 3.88Å; E221-R223 VanDerWaalsContact C-N 3.31Å; E221-R223 PolarHBondContact O-N 2.96Å; R223-S225 VanDerWaalsContact C-N 3.32Å; R223-S225 PolarHBondContact O-N 3.31Å; R223-V226 PolarHBondContact O-N 2.71Å; R223-V227 HydrophobicContact CG-CG2 4.42Å; R223-V227 WeakPolarHBondContact O-CB 3.09Å; R223-V227 VanDerWaalsContact O-CG2 3.3Å; R223-V227 WeakPolarHBondContact O-CG2 3.46Å; R223-V227 PolarHBondContact O-N 3.44Å
224I98.5Very high97.5Very high85 Ų8556.6 Ų56.644%0.43627%0.273SS..Hα-helixtrans-59.3-46.9178.4-69.4164.7000109.9E220 E221 R228E220-I224 HydrophobicContact CG-CD1 4.19Å; E220-I224 VanDerWaalsContact O-CG1 3.28Å; E220-I224 WeakPolarHBondContact O-CG1 3.42Å; E220-I224 PolarHBondContact O-N 3.06Å; E221-I224 PolarHBondContact O-N 3.31Å; I224-R228 VanDerWaalsContact O-CB 3.23Å; I224-R228 WeakPolarHBondContact O-CB 3.42Å; I224-R228 PolarHBondContact O-N 3.43Å
225S98.1Very high97.5Very high44 Ų4455.8 Ų55.831%0.30828%0.277SS..Hα-helixtrans-61.7-50.3179.6-173.20000112.1E221 D222 R223 R228 N229E221-S225 WeakPolarHBondContact O-CB 3.45Å; E221-S225 PolarHBondContact O-N 3.4Å; D222-S225 PolarHBondContact O-N 3.49Å; R223-S225 VanDerWaalsContact C-N 3.32Å; R223-S225 PolarHBondContact O-N 3.31Å; S225-R228 PolarHBondContact O-N 2.64Å; S225-N229 WeakPolarHBondContact O-CB 3.38Å; S225-N229 PolarHBondContact O-N 3.06Å; S225-N229 PolarHBondContact O-ND2 3.44Å; S225-N229 PolarHBondContact O-OD1 2.98Å
226V97.4Very high97.5Very high51 Ų5158 Ų5831%0.30929%0.289SS..Hα-helixtrans-62.7-47.3-178.6169.10000111.4M103 F106 D222 R223 N229 A230M103-V226 HydrophobicContact CE-CG1 4.17Å; F106-V226 HydrophobicContact CD1-CG1 4.01Å; F106-V226 HydrophobicContact CD2-CG1 4.39Å; F106-V226 HydrophobicContact CD2-CG2 4.17Å; F106-V226 HydrophobicContact CE1-CB 4.31Å; F106-V226 HydrophobicContact CE1-CG1 4.23Å; F106-V226 HydrophobicContact CE2-CB 4.39Å; F106-V226 HydrophobicContact CE2-CG2 3.9Å; F106-V226 HydrophobicContact CG-CG1 4.09Å; F106-V226 HydrophobicContact CZ-CB 4.21Å; F106-V226 HydrophobicContact CZ-CG2 4.18Å; D222-V226 WeakPolarHBondContact O-CB 3.46Å; D222-V226 VanDerWaalsContact O-CG2 3.28Å; D222-V226 WeakPolarHBondContact O-CG2 3.43Å; D222-V226 PolarHBondContact O-N 3.4Å; R223-V226 PolarHBondContact O-N 2.71Å; V226-N229 PolarHBondContact O-N 3.03Å; V226-A230 WeakPolarHBondContact O-CB 3.17Å; V226-A230 PolarHBondContact O-N 3.33Å
227V98Very high97.4Very high14 Ų1459.8 Ų59.89%0.08530%0.297CS..Hα-helixtrans-63.1-46.1179.5171.70000110.8V37 M103 R223 N229 A230 L231V37-V227 HydrophobicContact CG2-CG1 4.17Å; M103-V227 HydrophobicContact CE-CG2 4.22Å; R223-V227 HydrophobicContact CG-CG2 4.42Å; R223-V227 WeakPolarHBondContact O-CB 3.09Å; R223-V227 VanDerWaalsContact O-CG2 3.3Å; R223-V227 WeakPolarHBondContact O-CG2 3.46Å; R223-V227 PolarHBondContact O-N 3.44Å; V227-N229 VanDerWaalsContact C-N 3.33Å; V227-N229 PolarHBondContact O-N 3.29Å; V227-A230 PolarHBondContact O-N 2.99Å; V227-L231 HydrophobicContact CG1-CD1 4.19Å; V227-L231 WeakPolarHBondContact O-CG 3.4Å; V227-L231 PolarHBondContact O-N 3.17Å
228R98.4Very high97.3Very high152 Ų15259.7 Ų59.757%0.57430%0.298SS*.Hα-helixtrans-58-47176.7-179-168.165.6-170-4.8111.4I224 S225 L231 W232I224-R228 VanDerWaalsContact O-CB 3.23Å; I224-R228 WeakPolarHBondContact O-CB 3.42Å; I224-R228 PolarHBondContact O-N 3.43Å; S225-R228 PolarHBondContact O-N 2.64Å; R228-L231 PolarHBondContact O-N 3.14Å; R228-W232 WeakPolarHBondContact O-CB 3.47Å; R228-W232 PolarHBondContact O-N 2.92Å
229N96.8Very high97.4Very high76 Ų7659 Ų5941%0.40630%0.302SS..Hα-helixtrans-67.2-38.7-177.8-65-8.4000111.6S225 V226 V227 W232 V233S225-N229 WeakPolarHBondContact O-CB 3.38Å; S225-N229 PolarHBondContact O-N 3.06Å; S225-N229 PolarHBondContact O-ND2 3.44Å; S225-N229 PolarHBondContact O-OD1 2.98Å; V226-N229 PolarHBondContact O-N 3.03Å; V227-N229 VanDerWaalsContact C-N 3.33Å; V227-N229 PolarHBondContact O-N 3.29Å; N229-W232 WeakPolarHBondContact O-CB 3.47Å; N229-W232 PolarHBondContact O-N 3.38Å; N229-V233 WeakPolarHBondContact O-CG2 3.2Å; N229-V233 PolarHBondContact O-N 3.15Å
230A96.6Very high97.4Very high10 Ų1064.1 Ų64.18%0.08333%0.328CS..Hα-helixtrans-61.5-44.4175.500000111.7M103 V226 V227 W232 V233 H234M103-A230 HydrophobicContact CE-CB 3.82Å; V226-A230 WeakPolarHBondContact O-CB 3.17Å; V226-A230 PolarHBondContact O-N 3.33Å; V227-A230 PolarHBondContact O-N 2.99Å; A230-W232 VanDerWaalsContact C-N 3.33Å; A230-W232 PolarHBondContact O-N 2.91Å; A230-V233 PolarHBondContact O-N 3.11Å; A230-H234 WeakPolarHBondContact O-CB 3.37Å; A230-H234 PolarHBondContact O-N 3.34Å
231L97.3Very high97.4Very high73 Ų7364 Ų6438%0.38233%0.327SS..Hα-helixtrans-64.2-38.9175.6-66.7175.4000112V37 V227 R228 H234 C235V37-L231 HydrophobicContact CG1-CD2 4.47Å; V227-L231 HydrophobicContact CG1-CD1 4.19Å; V227-L231 WeakPolarHBondContact O-CG 3.4Å; V227-L231 PolarHBondContact O-N 3.17Å; R228-L231 PolarHBondContact O-N 3.14Å; L231-H234 WeakPolarHBondContact O-CB 3.25Å; L231-H234 PolarHBondContact O-N 3.36Å; L231-C235 PolarHBondContact O-N 3.16Å; L231-C235 VanDerWaalsContact O-N 3.1Å; L231-C235 PolarHBondContact O-SG 3.42Å; L231-C235 VanDerWaalsContact O-SG 3.38Å
232W98Very high97.3Very high170 Ų17063.7 Ų63.764%0.64433%0.334SS*.Hα-helixtrans-63.6-47.9175.8-173.5-82.8000112.2R228 N229 A230 H234 C235 N236R228-W232 WeakPolarHBondContact O-CB 3.47Å; R228-W232 PolarHBondContact O-N 2.92Å; N229-W232 WeakPolarHBondContact O-CB 3.47Å; N229-W232 PolarHBondContact O-N 3.38Å; A230-W232 VanDerWaalsContact C-N 3.33Å; A230-W232 PolarHBondContact O-N 2.91Å; W232-H234 VanDerWaalsContact C-N 3.26Å; W232-H234 PolarHBondContact O-N 3.04Å; W232-C235 PolarHBondContact O-N 3.42Å; W232-N236 PolarHBondContact NE1-ND2 3.03Å; W232-N236 PolarHBondContact O-N 3.29Å
233V95.8Very high97.4Very high53 Ų5364.1 Ų64.132%0.32134%0.339SS..Hα-helixtrans-59.5-40.4176.21690000110.7E99 N229 A230 C235 N236 Q237E99-V233 HydrophobicContact CG-CG1 4.48Å; N229-V233 WeakPolarHBondContact O-CG2 3.2Å; N229-V233 PolarHBondContact O-N 3.15Å; A230-V233 PolarHBondContact O-N 3.11Å; V233-C235 PolarHBondContact O-N 2.73Å; V233-N236 PolarHBondContact O-N 3.36Å; V233-Q237 HydrophobicContact CG1-CG 4.29Å; V233-Q237 WeakPolarHBondContact O-CG 3.43Å; V233-Q237 PolarHBondContact O-N 2.99Å
234H96.3Very high97.3Very high21 Ų2166.2 Ų66.210%0.09735%0.349CS..Hα-helixtrans-56.5-50.9174.7-178.459.3000112L41 L96 A230 L231 W232 N236 Q237 L238L41-H234 HydrophobicContact CD2-CB 4.15Å; L96-H234 WeakPolarHBondContact CD2-ND1 3.44Å; A230-H234 WeakPolarHBondContact O-CB 3.37Å; A230-H234 PolarHBondContact O-N 3.34Å; L231-H234 WeakPolarHBondContact O-CB 3.25Å; L231-H234 PolarHBondContact O-N 3.36Å; W232-H234 VanDerWaalsContact C-N 3.26Å; W232-H234 PolarHBondContact O-N 3.04Å; H234-N236 VanDerWaalsContact C-N 3.32Å; H234-N236 PolarHBondContact O-N 3.3Å; H234-Q237 PolarHBondContact O-N 3.01Å; H234-L238 WeakPolarHBondContact O-CG 3.45Å; H234-L238 PolarHBondContact O-N 3.25Å; H234-L238 VanDerWaalsContact O-N 3.16Å
235C97.8Very high97.3Very high71 Ų7163.6 Ų63.648%0.4834%0.336SS..Hα-helixtrans-59.6-41.4177.2-66.60000112.5L231 W232 V233 L238 S239L231-C235 PolarHBondContact O-N 3.16Å; L231-C235 VanDerWaalsContact O-N 3.1Å; L231-C235 PolarHBondContact O-SG 3.42Å; L231-C235 VanDerWaalsContact O-SG 3.38Å; W232-C235 PolarHBondContact O-N 3.42Å; V233-C235 PolarHBondContact O-N 2.73Å; C235-L238 PolarHBondContact O-N 3.5Å; C235-S239 WeakPolarHBondContact O-CB 3.34Å; C235-S239 PolarHBondContact O-N 3.44Å; C235-S239 PolarHBondContact O-OG 3.13Å
236N97.8Very high97.3Very high81 Ų8166.2 Ų66.243%0.43335%0.346SS..Hα-helixtrans-65.3-41.5179-74.4-1.6000112.3W232 V233 H234 L238 S239 M240W232-N236 PolarHBondContact NE1-ND2 3.03Å; W232-N236 PolarHBondContact O-N 3.29Å; V233-N236 PolarHBondContact O-N 3.36Å; H234-N236 VanDerWaalsContact C-N 3.32Å; H234-N236 PolarHBondContact O-N 3.3Å; N236-L238 VanDerWaalsContact C-N 3.33Å; N236-L238 PolarHBondContact O-N 2.84Å; N236-S239 PolarHBondContact O-N 3.38Å; N236-M240 VanDerWaalsContact O-CB 3.31Å; N236-M240 WeakPolarHBondContact O-CB 3.38Å; N236-M240 PolarHBondContact O-N 3.18Å
237Q95.9Very high97.3Very high38 Ų3869.3 Ų69.318%0.17836%0.357CS..Hα-helixtrans-61.7-41.8177.2-75172.6-12.600111.6L92 L96 V233 H234 Q241L92-Q237 HydrophobicContact CD1-CB 3.75Å; L96-Q237 VanDerWaalsContact CD2-OE1 3.25Å; V233-Q237 HydrophobicContact CG1-CG 4.29Å; V233-Q237 WeakPolarHBondContact O-CG 3.43Å; V233-Q237 PolarHBondContact O-N 2.99Å; H234-Q237 PolarHBondContact O-N 3.01Å; Q237-Q241 PolarHBondContact O-N 3.33Å; Q237-Q241 VanDerWaalsContact O-N 3.11Å
238L95.6Very high97.3Very high31 Ų3169.2 Ų69.216%0.16236%0.357CS..Hα-helixtrans-68.3-42.7176.7-63.5-176.5000112.5R44 L92 H234 C235 N236 M240 Q241 C242R44-L238 VanDerWaalsContact NH1-CD1 3.3Å; L92-L238 HydrophobicContact CD2-CD2 3.85Å; H234-L238 WeakPolarHBondContact O-CG 3.45Å; H234-L238 PolarHBondContact O-N 3.25Å; H234-L238 VanDerWaalsContact O-N 3.16Å; C235-L238 PolarHBondContact O-N 3.5Å; N236-L238 VanDerWaalsContact C-N 3.33Å; N236-L238 PolarHBondContact O-N 2.84Å; L238-M240 VanDerWaalsContact C-N 3.3Å; L238-M240 PolarHBondContact O-N 3.13Å; L238-Q241 WeakPolarHBondContact O-CB 3.47Å; L238-Q241 PolarHBondContact O-N 3.44Å; L238-Q241 VanDerWaalsContact O-N 3.1Å; L238-C242 PolarHBondContact O-N 2.97Å; L238-C242 VanDerWaalsContact O-N 3.15Å; L238-C242 PolarHBondContact O-SG 3.01Å; L238-C242 VanDerWaalsContact O-SG 3.39Å
239S98.1Very high97.3Very high73 Ų7366.2 Ų66.251%0.5135%0.347SS..Hα-helixtrans-63-40.6178.3-54.90000111.3C235 N236 Q241 C242 V243C235-S239 WeakPolarHBondContact O-CB 3.34Å; C235-S239 PolarHBondContact O-N 3.44Å; C235-S239 PolarHBondContact O-OG 3.13Å; N236-S239 PolarHBondContact O-N 3.38Å; S239-Q241 VanDerWaalsContact C-N 3.28Å; S239-Q241 PolarHBondContact O-N 2.93Å; S239-C242 PolarHBondContact O-N 3.35Å; S239-V243 PolarHBondContact O-N 3.15Å
240M96.8Very high97.3Very high110 Ų11065.8 Ų65.854%0.54234%0.342SS..Hα-helixtrans-61.7-37.1173.9-175.165.964.200111.9N236 L238 V243 K244N236-M240 VanDerWaalsContact O-CB 3.31Å; N236-M240 WeakPolarHBondContact O-CB 3.38Å; N236-M240 PolarHBondContact O-N 3.18Å; L238-M240 VanDerWaalsContact C-N 3.3Å; L238-M240 PolarHBondContact O-N 3.13Å; M240-V243 PolarHBondContact O-N 3.38Å; M240-K244 WeakPolarHBondContact O-CG 3.31Å; M240-K244 PolarHBondContact O-N 3.15Å; M240-K244 VanDerWaalsContact O-N 3.15Å
241Q97.4Very high97.4Very high11 Ų1168.7 Ų68.75%0.05136%0.356CS..Hα-helixtrans-62.7-44.7176.7-171.559.546.900111.1L88 L92 Q237 L238 S239 V243 K244 D245L88-Q241 VanDerWaalsContact CB-NE2 3.3Å; L92-Q241 HydrophobicContact CD2-CB 4.15Å; L92-Q241 HydrophobicContact CD2-CG 4.07Å; Q237-Q241 PolarHBondContact O-N 3.33Å; Q237-Q241 VanDerWaalsContact O-N 3.11Å; L238-Q241 WeakPolarHBondContact O-CB 3.47Å; L238-Q241 PolarHBondContact O-N 3.44Å; L238-Q241 VanDerWaalsContact O-N 3.1Å; S239-Q241 VanDerWaalsContact C-N 3.28Å; S239-Q241 PolarHBondContact O-N 2.93Å; Q241-V243 VanDerWaalsContact C-N 3.3Å; Q241-V243 PolarHBondContact O-N 2.93Å; Q241-K244 PolarHBondContact O-N 3.41Å; Q241-K244 VanDerWaalsContact O-N 3.15Å; Q241-D245 PolarHBondContact NE2-OD1 3.39Å; Q241-D245 VanDerWaalsContact O-CG 3.24Å; Q241-D245 PolarHBondContact O-N 3.14Å
242C97.6Very high97.4Very high85 Ų8565.7 Ų65.757%0.57434%0.341SS*.Hα-helixtrans-57.8-41.5177.4-60.40000112.8L238 S239 D245 D246L238-C242 PolarHBondContact O-N 2.97Å; L238-C242 VanDerWaalsContact O-N 3.15Å; L238-C242 PolarHBondContact O-SG 3.01Å; L238-C242 VanDerWaalsContact O-SG 3.39Å; S239-C242 PolarHBondContact O-N 3.35Å; C242-D245 PolarHBondContact O-N 3.13Å; C242-D246 PolarHBondContact O-N 3.1Å; C242-D246 VanDerWaalsContact O-N 3.09Å
243V98.2Very high97.4Very high77 Ų7762.9 Ų62.947%0.46733%0.33SS..Hα-helixtrans-64.8-43.1177.7176.50000111.1S239 M240 Q241 D245 D246 E247S239-V243 PolarHBondContact O-N 3.15Å; M240-V243 PolarHBondContact O-N 3.38Å; Q241-V243 VanDerWaalsContact C-N 3.3Å; Q241-V243 PolarHBondContact O-N 2.93Å; V243-D245 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 3.38Å; V243-D246 WeakPolarHBondContact O-CB 3.49Å; V243-D246 PolarHBondContact O-N 3.22Å; V243-E247 WeakPolarHBondContact O-CG 3.49Å; V243-E247 PolarHBondContact O-N 3.45Å
244K97.4Very high97.5Very high65 Ų6563.5 Ų63.528%0.28333%0.331SS..Hα-helixtrans-66-37.6178.5-69.1178.7176.6-176.80112.7L88 M240 Q241 D246 E247 C248L88-K244 HydrophobicContact CD1-CB 3.86Å; L88-K244 HydrophobicContact CD1-CD 4.2Å; L88-K244 HydrophobicContact CD2-CD 4.01Å; M240-K244 WeakPolarHBondContact O-CG 3.31Å; M240-K244 PolarHBondContact O-N 3.15Å; M240-K244 VanDerWaalsContact O-N 3.15Å; Q241-K244 PolarHBondContact O-N 3.41Å; Q241-K244 VanDerWaalsContact O-N 3.15Å; K244-D246 VanDerWaalsContact C-N 3.32Å; K244-E247 PolarHBondContact O-N 2.9Å; K244-C248 PolarHBondContact O-N 2.68Å; K244-C248 PolarHBondContact O-SG 3.29Å
245D97.9Very high97.6Very high30 Ų3063.6 Ų63.616%0.1634%0.335CS..Hα-helixtrans-64.9-40.2176.9-64.1-13.1000110.8H89 Q241 C242 V243 C248 Y249H89-D245 IonicContact NE2-OD1 3.75Å; H89-D245 IonicContact NE2-OD2 2.69Å; H89-D245 PolarHBondContact NE2-OD2 2.99Å; Q241-D245 PolarHBondContact NE2-OD1 3.39Å; Q241-D245 VanDerWaalsContact O-CG 3.24Å; Q241-D245 PolarHBondContact O-N 3.14Å; C242-D245 PolarHBondContact O-N 3.13Å; V243-D245 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 3.38Å; D245-C248 WeakPolarHBondContact O-CB 3.42Å; D245-C248 PolarHBondContact O-N 3.23Å; D245-Y249 WeakPolarHBondContact O-CD2 3.21Å; D245-Y249 PolarHBondContact O-N 2.98Å; D245-Y249 VanDerWaalsContact O-N 3.11Å
246D98.1Very high97.5Very high98 Ų9864.5 Ų64.552%0.52433%0.334SS..Hα-helixtrans-60.9-47.8174.5-173.863.1000111.8C242 V243 K244 C248 Y249 E250C242-D246 PolarHBondContact O-N 3.1Å; C242-D246 VanDerWaalsContact O-N 3.09Å; V243-D246 WeakPolarHBondContact O-CB 3.49Å; V243-D246 PolarHBondContact O-N 3.22Å; K244-D246 VanDerWaalsContact C-N 3.32Å; D246-C248 VanDerWaalsContact C-N 3.3Å; D246-C248 PolarHBondContact O-N 3.28Å; D246-Y249 PolarHBondContact O-N 3.01Å; D246-Y249 VanDerWaalsContact O-N 3.15Å; D246-E250 PolarHBondContact O-N 3.28Å
247E97.8Very high97.4Very high116 Ų11667.8 Ų67.854%0.54235%0.347SS..Hα-helixtrans-57.2-41.3174.5-71.5174.4-179.200112.1V243 K244 E250 N251V243-E247 WeakPolarHBondContact O-CG 3.49Å; V243-E247 PolarHBondContact O-N 3.45Å; K244-E247 PolarHBondContact O-N 2.9Å; E247-E250 PolarHBondContact O-N 3.12Å; E247-N251 PolarHBondContact O-N 3.26Å; E247-N251 VanDerWaalsContact O-N 3.17Å; E247-N251 PolarHBondContact O-ND2 3.05Å
248C98.1Very high97.4Very high13 Ų1371.7 Ų71.79%0.08837%0.369CS..Hα-helixtrans-60.8-44.5176.1-81.90000112.2Q81 I85 K244 D245 D246 N251 V252Q81-C248 HydrophobicContact CB-CB 4.3Å; Q81-C248 WeakPolarHBondContact CG-O 3.48Å; Q81-C248 PolarHBondContact OE1-SG 3.09Å; I85-C248 HydrophobicContact CD1-CB 3.83Å; I85-C248 HydrophobicContact CG1-CB 3.75Å; K244-C248 PolarHBondContact O-N 2.68Å; K244-C248 PolarHBondContact O-SG 3.29Å; D245-C248 WeakPolarHBondContact O-CB 3.42Å; D245-C248 PolarHBondContact O-N 3.23Å; D246-C248 VanDerWaalsContact C-N 3.3Å; D246-C248 PolarHBondContact O-N 3.28Å; C248-N251 WeakPolarHBondContact O-CB 3.4Å; C248-N251 PolarHBondContact O-N 3.46Å; C248-V252 PolarHBondContact O-N 3.47Å
249Y97.8Very high97.4Very high89 Ų8972.4 Ų72.435%0.34938%0.376SS..Hα-helixtrans-75.7-26179.2-70.9-57.7000113.5M78 I85 D245 D246 N251 V252 R253M78-Y249 HydrophobicContact CE-CE1 4.16Å; M78-Y249 HydrophobicContact SD-CE1 4.29Å; I85-Y249 HydrophobicContact CD1-CD2 4.13Å; I85-Y249 HydrophobicContact CD1-CE1 4.01Å; I85-Y249 HydrophobicContact CD1-CE2 3.51Å; I85-Y249 VanDerWaalsContact CD1-CZ 3.43Å; D245-Y249 WeakPolarHBondContact O-CD2 3.21Å; D245-Y249 PolarHBondContact O-N 2.98Å; D245-Y249 VanDerWaalsContact O-N 3.11Å; D246-Y249 PolarHBondContact O-N 3.01Å; D246-Y249 VanDerWaalsContact O-N 3.15Å; Y249-N251 VanDerWaalsContact C-N 3.32Å; Y249-V252 HydrophobicContact CD1-CG2 4.48Å; Y249-V252 PolarHBondContact O-N 3.08Å; Y249-R253 PolarHBondContact O-N 2.93Å
250E98Very high97.3Very high66 Ų6672 Ų7231%0.30837%0.368SS..Hα-helixtrans-60.6-41.5167.8-170.566.2-120.500111.1D246 E247 V252 R253 N254D246-E250 PolarHBondContact O-N 3.28Å; E247-E250 PolarHBondContact O-N 3.12Å; E250-V252 VanDerWaalsContact C-N 3.3Å; E250-V252 PolarHBondContact O-N 3.06Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-R253 VanDerWaalsContact O-N 3.14Å; E250-R253 IonicContact OE1-CZ 2.78Å; E250-R253 IonicContact OE1-NH1 2.64Å; E250-R253 PolarHBondContact OE1-NH1 2.98Å; E250-R253 IonicContact OE1-NH2 2.73Å; E250-R253 IonicContact OE2-CZ 3.86Å; E250-R253 IonicContact OE2-NH1 2.68Å; E250-R253 PolarHBondContact OE2-NH1 2.91Å; E250-R253 IonicContact OE2-NH2 3.99Å; E250-R253 PolarHBondContact OE2-NH2 3.09Å; E250-N254 PolarHBondContact O-N 3.29Å; E250-N254 PolarHBondContact O-ND2 3.19Å; E250-N254 VanDerWaalsContact O-ND2 3.16Å
251N97.4Very high97.3Very high72 Ų7272.8 Ų72.839%0.38537%0.374SS..Hα-helixtrans-60.5-39.1175.2-64.7-34.4000112.6Q81 E247 C248 Y249 S255Q81-N251 HydrophobicContact CG-CB 4.36Å; E247-N251 PolarHBondContact O-N 3.26Å; E247-N251 VanDerWaalsContact O-N 3.17Å; E247-N251 PolarHBondContact O-ND2 3.05Å; C248-N251 WeakPolarHBondContact O-CB 3.4Å; C248-N251 PolarHBondContact O-N 3.46Å; Y249-N251 VanDerWaalsContact C-N 3.32Å; N251-S255 PolarHBondContact O-N 2.9Å
252V98.1Very high97.3Very high10 Ų1077.6 Ų77.66%0.06140%0.398CS..Hα-helixtrans-64-44.5174.6-177.10000110.8M78 Q81 C248 Y249 E250 S255 L256M78-V252 HydrophobicContact CB-CG1 4.01Å; M78-V252 HydrophobicContact CG-CG1 4.47Å; M78-V252 HydrophobicContact SD-CB 4.48Å; M78-V252 HydrophobicContact SD-CG1 3.85Å; M78-V252 HydrophobicContact SD-CG2 3.99Å; Q81-V252 HydrophobicContact CB-CG2 3.68Å; Q81-V252 HydrophobicContact CG-CG2 3.63Å; C248-V252 PolarHBondContact O-N 3.47Å; Y249-V252 HydrophobicContact CD1-CG2 4.48Å; Y249-V252 PolarHBondContact O-N 3.08Å; E250-V252 VanDerWaalsContact C-N 3.3Å; E250-V252 PolarHBondContact O-N 3.06Å; V252-S255 WeakPolarHBondContact O-CB 3.3Å; V252-S255 PolarHBondContact O-N 3.31Å; V252-S255 VanDerWaalsContact O-N 3.12Å; V252-L256 HydrophobicContact CG1-CD1 4.03Å; V252-L256 HydrophobicContact CG1-CG 4.44Å; V252-L256 WeakPolarHBondContact O-CG 3.15Å; V252-L256 PolarHBondContact O-N 3.12Å
253R98.3Very high97.2Very high111 Ų11176.5 Ų76.542%0.41939%0.389SS..Hα-helixtrans-60.8-46.3178.1-75.4-171.8-83.1121-6111.6Y249 E250 S255 L256 E257Y249-R253 PolarHBondContact O-N 2.93Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-R253 VanDerWaalsContact O-N 3.14Å; E250-R253 IonicContact OE1-CZ 2.78Å; E250-R253 IonicContact OE1-NH1 2.64Å; E250-R253 PolarHBondContact OE1-NH1 2.98Å; E250-R253 IonicContact OE1-NH2 2.73Å; E250-R253 IonicContact OE2-CZ 3.86Å; E250-R253 IonicContact OE2-NH1 2.68Å; E250-R253 PolarHBondContact OE2-NH1 2.91Å; E250-R253 IonicContact OE2-NH2 3.99Å; E250-R253 PolarHBondContact OE2-NH2 3.09Å; R253-S255 VanDerWaalsContact C-N 3.25Å; R253-S255 PolarHBondContact O-N 3.12Å; R253-L256 WeakPolarHBondContact O-CB 3.48Å; R253-L256 PolarHBondContact O-N 2.92Å; R253-L256 VanDerWaalsContact O-N 3.08Å; R253-E257 WeakPolarHBondContact O-CG 3.47Å; R253-E257 PolarHBondContact O-N 2.8Å
254N97.4Very high97.2Very high65 Ų6573.8 Ų73.835%0.34837%0.372SS..Hα-helixtrans-56.6-38.8173.2-70.4-39.5000112.3E250 N258E250-N254 PolarHBondContact O-N 3.29Å; E250-N254 PolarHBondContact O-ND2 3.19Å; E250-N254 VanDerWaalsContact O-ND2 3.16Å; N254-N258 PolarHBondContact O-ND2 2.89Å
255S97.7Very high97.2Very high24 Ų2475.3 Ų75.317%0.16838%0.383CS..Hα-helixtrans-70.6-35.5176.9-1690000112.8S74 N251 V252 R253 N258S74-S255 WeakPolarHBondContact CA-OG 3.43Å; S74-S255 PolarHBondContact OG-O 2.94Å; N251-S255 PolarHBondContact O-N 2.9Å; V252-S255 WeakPolarHBondContact O-CB 3.3Å; V252-S255 PolarHBondContact O-N 3.31Å; V252-S255 VanDerWaalsContact O-N 3.12Å; R253-S255 VanDerWaalsContact C-N 3.25Å; R253-S255 PolarHBondContact O-N 3.12Å; S255-N258 PolarHBondContact O-N 2.7Å
256L96.8Very high97.1Very high89 Ų8978.4 Ų78.447%0.46640%0.4SS..Hα-helixtrans-68.4-35175.5-72.8165.1000112.5V252 R253 N258 C259V252-L256 HydrophobicContact CG1-CD1 4.03Å; V252-L256 HydrophobicContact CG1-CG 4.44Å; V252-L256 WeakPolarHBondContact O-CG 3.15Å; V252-L256 PolarHBondContact O-N 3.12Å; R253-L256 WeakPolarHBondContact O-CB 3.48Å; R253-L256 PolarHBondContact O-N 2.92Å; R253-L256 VanDerWaalsContact O-N 3.08Å; L256-N258 PolarHBondContact O-N 2.88Å; L256-C259 WeakPolarHBondContact O-CB 3.47Å; L256-C259 PolarHBondContact O-N 3.31Å
257E96Very high97.1Very high150 Ų15076.5 Ų76.570%0.70139%0.39SS*.Hα-helixtrans-62.1-23.8173.9-71.5178.1176.700112.8R253 C259R253-E257 WeakPolarHBondContact O-CG 3.47Å; R253-E257 PolarHBondContact O-N 2.8Å; E257-C259 VanDerWaalsContact C-N 3.35Å
258N94.8Very high97Very high121 Ų12176.1 Ų76.165%0.64739%0.386SS*.THydrogen-bonded Turntrans-88.51175.6-68.2-63.5000113.5N254 S255 L256 D260N254-N258 PolarHBondContact O-ND2 2.89Å; S255-N258 PolarHBondContact O-N 2.7Å; L256-N258 PolarHBondContact O-N 2.88Å; N258-D260 PolarHBondContact O-N 3.4Å
259C95.8Very high96.9Very high46 Ų4679.2 Ų79.231%0.31141%0.405SS..  trans-74.8117.7176-1730000110.1L256 E257L256-C259 WeakPolarHBondContact O-CB 3.47Å; L256-C259 PolarHBondContact O-N 3.31Å; E257-C259 VanDerWaalsContact C-N 3.35Å
260D96.1Very high96.7Very high64 Ų6480.7 Ų80.734%0.34242%0.415SS..  trans-120.3116.1-177178.652000112T70 N258 I262 T263 D264T70-D260 PolarHBondContact OG1-N 3.16Å; N258-D260 PolarHBondContact O-N 3.4Å; D260-I262 VanDerWaalsContact C-N 3.29Å; D260-I262 PolarHBondContact O-N 3.34Å; D260-T263 PolarHBondContact O-N 3.5Å; D260-T263 WeakPolarHBondContact OD2-CA 3.29Å; D260-T263 WeakPolarHBondContact OD2-CB 3.4Å; D260-T263 PolarHBondContact OD2-N 2.96Å; D260-T263 PolarHBondContact OD2-OG1 3.11Å; D260-D264 PolarHBondContact O-N 3.35Å
261I96.3Very high96.5Very high127 Ų12782 Ų8265%0.65142%0.422SS*.Hα-helixtrans-61.9-38.1-176.6-62171.7000111.3N265I261-N265 WeakPolarHBondContact O-CB 3.45Å; I261-N265 PolarHBondContact O-N 3.41Å; I261-N265 PolarHBondContact O-ND2 3.02Å
262I97.2Very high96.4Very high111 Ų11185.9 Ų85.957%0.56943%0.431SS*.Hα-helixtrans-69.1-47.3-177.7-64.4174.8000109.6D260 D264 N265 N266D260-I262 VanDerWaalsContact C-N 3.29Å; D260-I262 PolarHBondContact O-N 3.34Å; I262-D264 VanDerWaalsContact C-N 3.32Å; I262-D264 PolarHBondContact O-N 3.08Å; I262-N265 PolarHBondContact O-N 3.18Å; I262-N266 WeakPolarHBondContact CG2-ND2 3.41Å; I262-N266 VanDerWaalsContact O-CB 3.3Å; I262-N266 WeakPolarHBondContact O-CB 3.43Å; I262-N266 PolarHBondContact O-N 3.02Å; I262-N266 PolarHBondContact O-ND2 3.42Å
263T97Very high96.1Very high63 Ų6391 Ų9139%0.38745%0.452SS..Hα-helixtrans-58.1-45.3176.8-64.60000111.1T70 D260 N266 N267T70-T263 HydrophobicContact CG2-CG2 4.02Å; D260-T263 PolarHBondContact O-N 3.5Å; D260-T263 WeakPolarHBondContact OD2-CA 3.29Å; D260-T263 WeakPolarHBondContact OD2-CB 3.4Å; D260-T263 PolarHBondContact OD2-N 2.96Å; D260-T263 PolarHBondContact OD2-OG1 3.11Å; T263-N266 PolarHBondContact O-N 3.41Å; T263-N267 VanDerWaalsContact O-CB 3.29Å; T263-N267 WeakPolarHBondContact O-CB 3.42Å; T263-N267 PolarHBondContact O-N 3.37Å
264D97.1Very high95.7Very high19 Ų1991.4 Ų91.410%0.10247%0.471CS..Hα-helixtrans-65.5-45.7-180-80.327.1000112.4C69 T70 L71 D260 I262 N266 N267 F268C69-D264 HydrophobicContact CB-CB 4.37Å; C69-D264 VanDerWaalsContact CB-OD1 3.22Å; C69-D264 WeakPolarHBondContact CB-OD1 3.33Å; C69-D264 PolarHBondContact SG-OD1 3.03Å; C69-D264 VanDerWaalsContact SG-OD1 3.39Å; T70-D264 WeakPolarHBondContact CA-OD1 3.31Å; T70-D264 VanDerWaalsContact CB-OD1 3.27Å; T70-D264 WeakPolarHBondContact CB-OD1 3.47Å; T70-D264 WeakPolarHBondContact CG2-OD1 3.26Å; T70-D264 PolarHBondContact N-OD1 2.69Å; T70-D264 PolarHBondContact N-OD2 2.92Å; T70-D264 VanDerWaalsContact OG1-CG 3.25Å; T70-D264 PolarHBondContact OG1-OD1 3.41Å; T70-D264 PolarHBondContact OG1-OD2 2.9Å; L71-D264 VanDerWaalsContact CB-OD2 3.26Å; L71-D264 WeakPolarHBondContact CB-OD2 3.03Å; L71-D264 PolarHBondContact N-OD2 3.23Å; D260-D264 PolarHBondContact O-N 3.35Å; I262-D264 VanDerWaalsContact C-N 3.32Å; I262-D264 PolarHBondContact O-N 3.08Å; D264-N266 PolarHBondContact O-N 2.92Å; D264-N267 WeakPolarHBondContact O-CB 3.45Å; D264-N267 PolarHBondContact O-N 3.49Å; D264-F268 PolarHBondContact O-N 3.34Å
265N97.3Very high95.1Very high97 Ų9793.8 Ų93.852%0.51948%0.484SS..Hα-helixtrans-63-43176.6-78-33.6000112.1I261 I262 N267 F268 V269I261-N265 WeakPolarHBondContact O-CB 3.45Å; I261-N265 PolarHBondContact O-N 3.41Å; I261-N265 PolarHBondContact O-ND2 3.02Å; I262-N265 PolarHBondContact O-N 3.18Å; N265-N267 VanDerWaalsContact C-N 3.33Å; N265-N267 PolarHBondContact O-N 2.88Å; N265-F268 PolarHBondContact O-N 3.08Å; N265-V269 WeakPolarHBondContact O-CG2 3.26Å; N265-V269 PolarHBondContact O-N 3.46Å
266N96.9Very high94.3Very high95 Ų9598.2 Ų98.251%0.50851%0.512SS..Hα-helixtrans-62.8-42.5176.1-74.2-22.2000111.1I262 T263 D264 F268 V269 E270I262-N266 WeakPolarHBondContact CG2-ND2 3.41Å; I262-N266 VanDerWaalsContact O-CB 3.3Å; I262-N266 WeakPolarHBondContact O-CB 3.43Å; I262-N266 PolarHBondContact O-N 3.02Å; I262-N266 PolarHBondContact O-ND2 3.42Å; T263-N266 PolarHBondContact O-N 3.41Å; D264-N266 PolarHBondContact O-N 2.92Å; N266-F268 VanDerWaalsContact C-N 3.34Å; N266-F268 PolarHBondContact O-N 3.1Å; N266-V269 PolarHBondContact O-N 3.01Å; N266-E270 WeakPolarHBondContact O-CB 3.39Å; N266-E270 WeakPolarHBondContact O-CG 3.34Å; N266-E270 PolarHBondContact O-N 2.92Å
267N96.4Very high93.8Very high58 Ų5898.1 Ų98.131%0.3152%0.515SS..Hα-helixtrans-59.3-45.3175.8-171.2-94000111.2C69 T263 D264 N265 E270 M271C69-N267 HydrophobicContact CB-CB 3.96Å; T263-N267 VanDerWaalsContact O-CB 3.29Å; T263-N267 WeakPolarHBondContact O-CB 3.42Å; T263-N267 PolarHBondContact O-N 3.37Å; D264-N267 WeakPolarHBondContact O-CB 3.45Å; D264-N267 PolarHBondContact O-N 3.49Å; N265-N267 VanDerWaalsContact C-N 3.33Å; N265-N267 PolarHBondContact O-N 2.88Å; N267-E270 PolarHBondContact O-N 3.24Å; N267-M271 WeakPolarHBondContact O-CB 3.43Å; N267-M271 VanDerWaalsContact O-CG 3.24Å; N267-M271 WeakPolarHBondContact O-CG 3.49Å; N267-M271 PolarHBondContact O-N 3.04Å; N267-M271 PolarHBondContact OD1-SD 2.85Å
268F96.6Very high93.5Very high109 Ų10996.3 Ų96.348%0.47852%0.517SS..Hα-helixtrans-59.5-50.2176.1180-101.9000112.5I68 D264 N265 N266 E270 M271 R272I68-F268 HydrophobicContact CD1-CB 3.83Å; I68-F268 HydrophobicContact CD1-CD2 4.1Å; I68-F268 HydrophobicContact CD1-CG 4.48Å; D264-F268 PolarHBondContact O-N 3.34Å; N265-F268 PolarHBondContact O-N 3.08Å; N266-F268 VanDerWaalsContact C-N 3.34Å; N266-F268 PolarHBondContact O-N 3.1Å; F268-E270 VanDerWaalsContact C-N 3.33Å; F268-E270 PolarHBondContact O-N 3.42Å; F268-M271 PolarHBondContact O-N 3.19Å; F268-M271 VanDerWaalsContact O-N 3.16Å; F268-R272 HydrophobicContact CD2-CG 4.09Å; F268-R272 HydrophobicContact CE1-CB 4.4Å; F268-R272 HydrophobicContact CE2-CB 4.34Å; F268-R272 HydrophobicContact CE2-CG 3.7Å; F268-R272 HydrophobicContact CZ-CB 4.17Å; F268-R272 HydrophobicContact CZ-CG 3.99Å; F268-R272 WeakPolarHBondContact O-CB 3.39Å; F268-R272 PolarHBondContact O-N 2.98Å
269V95.9Very high93.3Very high78 Ų7896.2 Ų96.247%0.47352%0.523SS..Hα-helixtrans-58.7-46.6179.4171.50000110.3N265 N266 M271 R272 K273N265-V269 WeakPolarHBondContact O-CG2 3.26Å; N265-V269 PolarHBondContact O-N 3.46Å; N266-V269 PolarHBondContact O-N 3.01Å; V269-M271 VanDerWaalsContact C-N 3.31Å; V269-M271 PolarHBondContact O-N 3.03Å; V269-R272 PolarHBondContact O-N 3.47Å; V269-K273 WeakPolarHBondContact O-CA 3.26Å; V269-K273 WeakPolarHBondContact O-CB 3.38Å; V269-K273 WeakPolarHBondContact O-CG 3.07Å; V269-K273 PolarHBondContact O-N 2.97Å
270E94.4Very high93Very high119 Ų11998.1 Ų98.156%0.55654%0.542SS*.Hα-helixtrans-61.8-38.1177.4-74.5-60.8122.800112.6N266 N267 F268 K273N266-E270 WeakPolarHBondContact O-CB 3.39Å; N266-E270 WeakPolarHBondContact O-CG 3.34Å; N266-E270 PolarHBondContact O-N 2.92Å; N267-E270 PolarHBondContact O-N 3.24Å; F268-E270 VanDerWaalsContact C-N 3.33Å; F268-E270 PolarHBondContact O-N 3.42Å; E270-K273 IonicContact OE1-NZ 2.76Å; E270-K273 PolarHBondContact OE1-NZ 3.07Å; E270-K273 WeakPolarHBondContact OE2-CE 3.44Å; E270-K273 IonicContact OE2-NZ 2.65Å; E270-K273 PolarHBondContact OE2-NZ 3.15Å
271M93.4Very high92.7Very high93 Ų93101.1 Ų101.146%0.45857%0.565SS.*Hα-helixtrans-74.8-21.1178.8-74.3-177.473.100114.8N267 F268 V269N267-M271 WeakPolarHBondContact O-CB 3.43Å; N267-M271 VanDerWaalsContact O-CG 3.24Å; N267-M271 WeakPolarHBondContact O-CG 3.49Å; N267-M271 PolarHBondContact O-N 3.04Å; N267-M271 PolarHBondContact OD1-SD 2.85Å; F268-M271 PolarHBondContact O-N 3.19Å; F268-M271 VanDerWaalsContact O-N 3.16Å; V269-M271 VanDerWaalsContact C-N 3.31Å; V269-M271 PolarHBondContact O-N 3.03Å
272R94.6Very high92.4Very high155 Ų155103.5 Ų103.559%0.58558%0.577SS**Hα-helixtrans-130.9-0.2-169-64-65.8-177.2-96-2.5114.7F268 V269 C274F268-R272 HydrophobicContact CD2-CG 4.09Å; F268-R272 HydrophobicContact CE1-CB 4.4Å; F268-R272 HydrophobicContact CE2-CB 4.34Å; F268-R272 HydrophobicContact CE2-CG 3.7Å; F268-R272 HydrophobicContact CZ-CB 4.17Å; F268-R272 HydrophobicContact CZ-CG 3.99Å; F268-R272 WeakPolarHBondContact O-CB 3.39Å; F268-R272 PolarHBondContact O-N 2.98Å; V269-R272 PolarHBondContact O-N 3.47Å; R272-C274 PolarHBondContact O-N 3.35Å
273K92.3Very high92Very high116 Ų116101 Ų10150%0.50458%0.578SS.*  trans-58.2132176.460.7-175.6175-167.10110.2V269 E270V269-K273 WeakPolarHBondContact O-CA 3.26Å; V269-K273 WeakPolarHBondContact O-CB 3.38Å; V269-K273 WeakPolarHBondContact O-CG 3.07Å; V269-K273 PolarHBondContact O-N 2.97Å; E270-K273 IonicContact OE1-NZ 2.76Å; E270-K273 PolarHBondContact OE1-NZ 3.07Å; E270-K273 WeakPolarHBondContact OE2-CE 3.44Å; E270-K273 IonicContact OE2-NZ 2.65Å; E270-K273 PolarHBondContact OE2-NZ 3.15Å
274C90.4Very high91.4Very high121 Ų121107.2 Ų107.282%0.81860%0.596SS**  trans-94.5-116.8174-62.90000108.4R272 P276R272-C274 PolarHBondContact O-N 3.35Å; C274-P276 WeakPolarHBondContact O-CD 3.45Å
275N84.3Confident90.7Very high114 Ų114115 Ų11561%0.6163%0.632SS**  trans-87.4120.5175.4-161.3-8.5000109.8T277N275-T277 VanDerWaalsContact CG-O 3.27Å; N275-T277 PolarHBondContact ND2-O 3.3Å; N275-T277 PolarHBondContact O-N 3.43Å; N275-T277 PolarHBondContact OD1-N 2.92Å; N275-T277 PolarHBondContact OD1-OG1 3.14Å
276P80.8Confident89.9Confident118 Ų118113 Ų11377%0.76662%0.621SS**SBendtrans-69.4-16.3176.329.3-36.6000112.2C274C274-P276 WeakPolarHBondContact O-CD 3.45Å
277T87.3Confident88.7Confident86 Ų86118.1 Ų118.153%0.52864%0.635SS.*SBendtrans-103.5135.1175.256.50000110.7N275N275-T277 VanDerWaalsContact CG-O 3.27Å; N275-T277 PolarHBondContact ND2-O 3.3Å; N275-T277 PolarHBondContact O-N 3.43Å; N275-T277 PolarHBondContact OD1-N 2.92Å; N275-T277 PolarHBondContact OD1-OG1 3.14Å
278P87.9Confident87.6Confident112 Ų112124.8 Ų124.873%0.72766%0.657SS**PPolyproline II helixtrans-56150.4168.4-2434.1000110.9A280P278-A280 PolarHBondContact O-N 3.17Å
279P92Very high86Confident120 Ų120126.7 Ų126.778%0.77967%0.667SS**PPolyproline II helixtrans-51.7133.9173.2-2634.5000111.3
280A88.8Confident84.2Confident85 Ų85130.3 Ų130.370%0.70268%0.684SS**PPolyproline II helixtrans-60.1143.3178.700000110.6P278 I282P278-A280 PolarHBondContact O-N 3.17Å; A280-I282 PolarHBondContact O-N 3.11Å
281P90.3Very high82.4Confident128 Ų128132.6 Ų132.683%0.83170%0.7SS**PPolyproline II helixtrans-54.9138.4172.9-24.633.9000111.2G283P281-G283 PolarHBondContact O-N 3.45Å; P281-G283 VanDerWaalsContact O-N 3.1Å
282I90Very high80.3Confident176 Ų176132.1 Ų132.190%0.90371%0.711SS**  trans-71.9107.8176.6-58.2175.3000108.1A280A280-I282 PolarHBondContact O-N 3.11Å
283G88.3Confident78.1Confident58 Ų58130.3 Ų130.360%0.59872%0.722SS**  trans-73.3148.8172.200000111.8P281 Q285P281-G283 PolarHBondContact O-N 3.45Å; P281-G283 VanDerWaalsContact O-N 3.1Å; G283-Q285 PolarHBondContact O-N 3.01Å
284Y84.5Confident76.1Confident195 Ų195131.6 Ų131.677%0.76574%0.74SS**  trans-63.3124.6169.2172-101.1000109.7N286Y284-N286 HydrophobicContact CE1-CB 3.81Å
285Q82.3Confident73.8Confident182 Ų182135.1 Ų135.185%0.8574%0.744SS**  trans-107.3119.2169.6-79.3-179.9-8.700109.2G283 Y287G283-Q285 PolarHBondContact O-N 3.01Å; Q285-Y287 PolarHBondContact O-N 2.76Å
286N80.8Confident71.7Confident56 Ų56133.9 Ų133.930%0.29975%0.75SS.*  trans-73.3124.6173.8-169.3-54.7000109.7Y284 Y288 E289Y284-N286 HydrophobicContact CE1-CB 3.81Å; N286-Y288 PolarHBondContact O-N 2.91Å; N286-Y288 VanDerWaalsContact O-N 3.14Å; N286-Y288 PolarHBondContact OD1-N 3.34Å; N286-E289 HydrophobicContact CB-CB 4.31Å; N286-E289 HydrophobicContact CB-CG 4.01Å; N286-E289 PolarHBondContact O-N 3.41Å
287Y72.4Confident69.6Low201 Ų201135.9 Ų135.979%0.78875%0.754SS**THydrogen-bonded Turntrans-57.8-27.8-178.5-176.5-95000113.8Q285Q285-Y287 PolarHBondContact O-N 2.76Å
288Y73.4Confident67.5Low198 Ų198135.4 Ų135.478%0.77677%0.766SS**THydrogen-bonded Turntrans-96.3-5.6-173.8-64.6-76.8000114.7N286N286-Y288 PolarHBondContact O-N 2.91Å; N286-Y288 VanDerWaalsContact O-N 3.14Å; N286-Y288 PolarHBondContact OD1-N 3.34Å
289E61.4Low64.9Low149 Ų149136.2 Ų136.270%0.69677%0.774SS**  trans-86.6-1.6-177.8-75.9-175.8159.100114.3N286 N291N286-E289 HydrophobicContact CB-CB 4.31Å; N286-E289 HydrophobicContact CB-CG 4.01Å; N286-E289 PolarHBondContact O-N 3.41Å; E289-N291 PolarHBondContact O-N 3.27Å
290N59.5Low62.4Low154 Ų154136 Ų13682%0.82478%0.782SS**THydrogen-bonded Turntrans-78.113-172.8-132.315.2000115.5
291N55.3Low59.8Low167 Ų167135.1 Ų135.189%0.89378%0.782SS**THydrogen-bonded Turntrans-135.853.2179.8-88.2-20.6000112.9E289E289-N291 PolarHBondContact O-N 3.27Å
292A50.8Low57.1Low84 Ų84139 Ų13969%0.69479%0.786SS**SBendtrans-128.4102.8162.600000111.4
293S47.5Very low54.7Low117 Ų117137.4 Ų137.482%0.81878%0.784SS**  trans61.6103.315654.10000119.8
294V50.6Low52.1Low143 Ų143143.2 Ų143.287%0.86780%0.795SS**  trans-66.7127.5148.7175.20000109.2
295Q41.5Very low49.9Very low194 Ų194137.3 Ų137.391%0.90779%0.794SS**  trans-156.2125.9145.4-109.8175.522.100112.8
296A40Very low47.9Very low88 Ų88134.4 Ų134.473%0.72779%0.789SS**SBendtrans89.9106.6156.800000121.2
297N37.7Very low46.1Very low161 Ų161141 Ų14186%0.86182%0.815SS**  trans83.176.3139.3-62.9-2.5000120.7
298G43.2Very low44.5Very low75 Ų75141.3 Ų141.377%0.77382%0.82SS**  53.492114.900000119.7
299S32.5Very low42.8Very low129 Ų129143 Ų14390%0.90283%0.825SS**  -163.6122.8127.9-77.90000108.5G301S299-G301 PolarHBondContact O-N 3.33Å
300A39.1Very low41.9Very low115 Ų115143.6 Ų143.695%0.9583%0.831SS**  trans-69.8114-167.500000112.6
301G34.7Very low41.3Very low67 Ų67140.1 Ų140.169%0.69182%0.819SS**  trans-98.2119.2160.800000109.6S299 V303S299-G301 PolarHBondContact O-N 3.33Å; G301-V303 PolarHBondContact O-N 2.56Å
302F33.4Very low40.8Very low211 Ų211139.6 Ų139.693%0.92582%0.816SS**  trans-42124.9176.8-123.9-109.4000113.2
303V38.7Very low40.4Very low142 Ų142142.9 Ų142.986%0.86182%0.821SS**  trans-98.1121.6165.3177.70000108.8G301G301-V303 PolarHBondContact O-N 2.56Å
304E35.2Very low40.4Very low179 Ų179145.3 Ų145.384%0.83682%0.824SS**  trans-69.9124.9-172.3-164.9172.5-174.400112.5V306E304-V306 PolarHBondContact O-N 2.97Å
305G38.5Very low39.7Very low72 Ų72144.9 Ų144.974%0.74282%0.824SS**  trans-78.8109.9167.600000111.3
306V40.2Very low39.2Very low120 Ų120139 Ų13973%0.72782%0.816SS**  trans11.8128.2145.1-178.40000118.9E304E304-V306 PolarHBondContact O-N 2.97Å
307K42.7Very low38.9Very low195 Ų195140.3 Ų140.385%0.84882%0.82SS**  trans86103.4153.6-79165.2-170.5-179.70119.1
308K38.6Very low38.4Very low208 Ų208138.8 Ų138.890%0.90482%0.82SS**  trans-129.2132.3131.5-85.2-173.9178.6174.70111.1I310K308-I310 PolarHBondContact O-N 3.49Å
309R38.4Very low37.9Very low233 Ų233141.9 Ų141.988%0.87982%0.824SS**  trans-51.3125.4175.6-93.8171.6168.6163-4.2110.9S311R309-S311 PolarHBondContact O-N 3.48Å
310I42.7Very low37.9Very low161 Ų161144.9 Ų144.983%0.82682%0.821SS**  trans-76.499155.1-58.5169.1000105.6K308K308-I310 PolarHBondContact O-N 3.49Å
311S45.4Very low37.8Very low81 Ų81143.1 Ų143.157%0.56682%0.815SS**  trans-129.7120166.943.80000107.6R309R309-S311 PolarHBondContact O-N 3.48Å
312N44.9Very low37.9Very low157 Ų157143.8 Ų143.884%0.8481%0.809SS**  trans101.270.1176.2-52.1-8.3000115
313L43.2Very low38.3Very low152 Ų152143.8 Ų143.880%0.79681%0.808SS**  trans-124.3129.3147.9-78.7170.3000108.3
314L46.3Very low38Very low169 Ų169144.3 Ų144.389%0.88581%0.805SS**  trans91.1108.2179.7-53.3168000116.4
315P37.6Very low38Very low133 Ų133142.3 Ų142.386%0.86481%0.806SS**  trans-111.4123.4130.912.66.1000110.4
316G31.1Very low38.1Very low70 Ų70146.2 Ų146.272%0.72281%0.808SS**  trans86.889.413500000119.2
317S32.4Very low38.1Very low116 Ų116147.8 Ų147.881%0.81181%0.812SS**  46.7102.3124.6-170.10000119.8
318C28.2Very low37.7Very low130 Ų130147.6 Ų147.688%0.87881%0.814SS**  trans-138.2109.1138.239.90000109.2F320C318-F320 PolarHBondContact O-N 2.56Å
319T33.1Very low37.9Very low139 Ų139141.4 Ų141.485%0.85381%0.81SS**  trans-71.7106.6172.413.50000109.2
320F30.9Very low37.7Very low192 Ų192137 Ų13784%0.84281%0.808SS**  trans-117.7107.9157.1-133.7-88.6000107.6C318 S322C318-F320 PolarHBondContact O-N 2.56Å; F320-S322 PolarHBondContact O-N 2.79Å
321G38.2Very low37.5Very low79 Ų79134.4 Ų134.481%0.81480%0.804SS**  trans-83.9107.9169.300000108.9
322S35.9Very low37.1Very low81 Ų81139.4 Ų139.457%0.56682%0.819SS**  trans-144.4107.9162.7-65.30000109.2F320 L324F320-S322 PolarHBondContact O-N 2.79Å; S322-L324 PolarHBondContact O-N 3.39Å
323K42.1Very low36.6Very low211 Ų211137.3 Ų137.392%0.91781%0.814SS**  trans-78.4106.2166.1-164.8-176.5-173.2-175.90106.4
324L32.8Very low36.5Very low152 Ų152135.8 Ų135.880%0.79681%0.813SS**  trans-115.7117.3171.1-78.1169.7000109.7S322S322-L324 PolarHBondContact O-N 3.39Å
325T34.4Very low36.5Very low138 Ų138133.1 Ų133.185%0.84782%0.816SS**  trans-72.7120.4168.4-33.10000107.5N327T325-N327 PolarHBondContact O-N 3.13Å
326I40.4Very low36.4Very low154 Ų154129.4 Ų129.479%0.7980%0.801SS**  trans-86109.3177.1-61.7170.3000107.5
327N41.6Very low37.1Very low152 Ų152132.2 Ų132.281%0.81380%0.804SS**  trans-175.991.1147.3-97.4-9.6000108.8T325T325-N327 PolarHBondContact O-N 3.13Å
328E34Very low37.6Very low191 Ų191132.2 Ų132.289%0.89381%0.805SS**  trans-157.7133.3149.4-112.9172.2-165.900108.5V330E328-V330 PolarHBondContact O-N 3.19Å
329G43.5Very low38.4Very low78 Ų78134.3 Ų134.380%0.80480%0.802SS**  trans-66.1129.4-174.300000111.3
330V33Very low39.1Very low141 Ų141131.3 Ų131.386%0.85580%0.798SS**  trans-88.4112172.9178.70000107.9E328E328-V330 PolarHBondContact O-N 3.19Å
331S37.8Very low40.1Very low106 Ų106128.1 Ų128.174%0.74179%0.794SS**PPolyproline II helixtrans-58131.8164.6-41.30000109.9
332E37.1Very low40.6Very low187 Ų187135.5 Ų135.587%0.87480%0.799SS**PPolyproline II helixtrans-56.8133.3167.7-77.2177.4146.200110.3
333P35.2Very low41.3Very low112 Ų112136 Ų13673%0.72781%0.808SS**PPolyproline II helixtrans-75.8146.1163.729.3-23.8000109
334P40.8Very low41.9Very low121 Ų121130.8 Ų130.879%0.78680%0.798SS**PPolyproline II helixtrans-65.4143.3179.528.9-32000109.6G336P334-G336 PolarHBondContact O-N 3.42Å
335A46.4Very low42.9Very low113 Ų113130.9 Ų130.993%0.93480%0.798SS**  trans-55.8100.6166.300000109.1
336G34.8Very low43.8Very low55 Ų55130.3 Ų130.357%0.56780%0.796SS**  trans-136.396.7179.200000109.5P334 S338P334-G336 PolarHBondContact O-N 3.42Å; G336-S338 PolarHBondContact O-N 3.1Å
337T47.5Very low44Very low128 Ų128125.9 Ų125.979%0.78579%0.789SS**  trans22.388.7152490000116.7E339T337-E339 PolarHBondContact O-N 3.47Å; T337-E339 VanDerWaalsContact O-N 3.13Å
338S42.2Very low44.2Very low117 Ų117126.9 Ų126.982%0.81879%0.793SS**  trans-81.756.21601760000110.1G336G336-S338 PolarHBondContact O-N 3.1Å
339E44.2Very low44.4Very low174 Ų174126 Ų12681%0.81379%0.789SS**  trans-91.2-3.5-176.2-124.7176.8179.800113.4T337T337-E339 PolarHBondContact O-N 3.47Å; T337-E339 VanDerWaalsContact O-N 3.13Å
340G48.7Very low44Very low75 Ų75129 Ų12977%0.77379%0.787SS**  trans-112.151.3-163.300000116.6
341V50.6Low44.1Very low125 Ų125131.5 Ų131.576%0.75879%0.787SS**SBendtrans-125.4-18.6178.8-171.10000115.1
342Y49.5Very low44Very low234 Ų234133 Ų13392%0.91879%0.786SS**SBendtrans-100.1116.2171.7-99-95.2000111
343A50Low44.2Very low92 Ų92130.1 Ų130.176%0.7677%0.773SS**PPolyproline II helixtrans-57.3135.3-171.600000113.1I345A343-I345 PolarHBondContact O-N 3.41Å
344S56.2Low44.9Very low102 Ų102129.8 Ų129.871%0.71377%0.773SS**PPolyproline II helixtrans-54.2136158.5-46.90000108.9P346S344-P346 WeakPolarHBondContact O-CD 3.33Å
345I52.1Low45.7Very low154 Ų154126.5 Ų126.579%0.7975%0.753SS**  trans-55.4112.8172.6-60.1176.7000107.6A343 G347A343-I345 PolarHBondContact O-N 3.41Å; I345-G347 PolarHBondContact O-N 2.83Å
346P53.4Low47Very low125 Ų125125.7 Ų125.781%0.81273%0.728SS**THydrogen-bonded Turntrans-71.3101.1175.6-9.526.4000106.9S344S344-P346 WeakPolarHBondContact O-CD 3.33Å
347G46.4Very low49.5Very low62 Ų62128 Ų12864%0.63973%0.725SS**THydrogen-bonded Turntrans166.6-10.7-177.900000117.2I345I345-G347 PolarHBondContact O-N 2.83Å
348L45.2Very low51.6Low172 Ų172123 Ų12390%0.90169%0.691SS**  trans-125.727.3172.1-120.692.3000113
349Q37.6Very low54Low172 Ų172121.7 Ų121.780%0.80467%0.671SS**SBendtrans-80129.1155.6-73.3176.3-13.500106.1
350N35.6Very low56.3Low141 Ų141113.4 Ų113.475%0.75463%0.633SS**  trans-35.7146.3165.9-70.3-36.2000110.2N352N350-N352 PolarHBondContact O-N 3.49Å
351F34.2Very low58.4Low195 Ų195112.7 Ų112.786%0.85561%0.613SS**SBendtrans-5668.7165-83.9-94.6000111.1Q353F351-Q353 VanDerWaalsContact C-N 3.27Å
352N36.5Very low60.3Low137 Ų137113.5 Ų113.573%0.73360%0.604SS**  trans-106.160.8153.4-76.8-11.8000104.6N350 S354N350-N352 PolarHBondContact O-N 3.49Å; N352-S354 PolarHBondContact O-N 3.23Å
353Q42.3Very low62.3Low126 Ų126107.2 Ų107.259%0.58959%0.586SS**  trans-38.7129.7141.1-166.9169.77.400105.4F351 S355F351-Q353 VanDerWaalsContact C-N 3.27Å; Q353-S355 WeakPolarHBondContact O-CA 3.34Å; Q353-S355 PolarHBondContact O-N 2.8Å; Q353-S355 PolarHBondContact O-OG 2.92Å
354S49.5Very low64.4Low105 Ų105104 Ų10473%0.73455%0.554SS**  trans-46.294.8175.154.20000108.4N352 K356N352-S354 PolarHBondContact O-N 3.23Å; S354-K356 PolarHBondContact O-N 3.49Å
355S56.8Low66.1Low52 Ų52104.3 Ų104.336%0.36455%0.551SS.*  trans-67.5105.1-172.1-63.70000103.5Q353 E357Q353-S355 WeakPolarHBondContact O-CA 3.34Å; Q353-S355 PolarHBondContact O-N 2.8Å; Q353-S355 PolarHBondContact O-OG 2.92Å; S355-E357 PolarHBondContact O-N 3.09Å
356K73.1Confident68Low96 Ų9698.4 Ų98.442%0.41753%0.526SS..EExtended strand (participates in β ladder)trans-68.496.8170.4-61.6-178.3-166.5169.20103.9S354 Y358 V382 E385S354-K356 PolarHBondContact O-N 3.49Å; K356-Y358 HydrophobicContact CB-CD2 4.04Å; K356-Y358 HydrophobicContact CB-CE2 3.4Å; K356-Y358 HydrophobicContact CD-CE2 4.14Å; K356-Y358 HydrophobicContact CG-CE2 4.44Å; K356-Y358 WeakPolarHBondContact O-CD2 3.49Å; K356-V382 PolarHBondContact O-N 3.47Å; K356-E385 IonicContact NZ-OE1 3.68Å; K356-E385 PolarHBondContact NZ-OE1 3.4Å
357E87.6Confident69.6Low105 Ų105100.6 Ų100.649%0.49153%0.525SS..EExtended strand (participates in β ladder)trans-70.7129172.3-73-180171.400107.5S355 V379 V381S355-E357 PolarHBondContact O-N 3.09Å; E357-V379 HydrophobicContact CB-CG1 4.05Å; E357-V379 HydrophobicContact CG-CG1 4.22Å; E357-V381 HydrophobicContact CG-CG2 4.4Å
358Y92.1Very high71.4Confident22 Ų2299 Ų999%0.08651%0.509CS..EExtended strand (participates in β ladder)trans-123.8148.2174-72.2-104.7000108.7K356 V379 V380 V382 W391 L407 A408 K409K356-Y358 HydrophobicContact CB-CD2 4.04Å; K356-Y358 HydrophobicContact CB-CE2 3.4Å; K356-Y358 HydrophobicContact CD-CE2 4.14Å; K356-Y358 HydrophobicContact CG-CE2 4.44Å; K356-Y358 WeakPolarHBondContact O-CD2 3.49Å; Y358-V379 WeakPolarHBondContact O-CA 3.45Å; Y358-V380 PolarHBondContact N-O 3.19Å; Y358-V380 PolarHBondContact O-N 3.1Å; Y358-V382 HydrophobicContact CD2-CB 4.03Å; Y358-V382 HydrophobicContact CD2-CG2 3.25Å; Y358-V382 HydrophobicContact CE2-CB 4Å; Y358-V382 HydrophobicContact CE2-CG2 3.58Å; Y358-V382 HydrophobicContact CG-CG2 3.97Å; Y358-W391 HydrophobicContact CD1-CZ3 4.2Å; Y358-W391 HydrophobicContact CE1-CH2 4.31Å; Y358-W391 AromaticContact CE1-CZ3 3.83Å; Y358-W391 HydrophobicContact CE1-CZ3 3.83Å; Y358-W391 HydrophobicContact CE2-CZ3 4.3Å; Y358-W391 AromaticContact CZ-CZ3 3.88Å; Y358-L407 HydrophobicContact CD1-CB 4.11Å; Y358-L407 HydrophobicContact CG-CB 4.3Å; Y358-A408 CarbonylContact C-O 3.48Å; Y358-A408 WeakPolarHBondContact CA-O 3.48Å; Y358-A408 VanDerWaalsContact CD1-C 3.46Å; Y358-K409 HydrophobicContact CD1-CB 3.99Å; Y358-K409 VanDerWaalsContact CD1-N 3.32Å; Y358-K409 HydrophobicContact CE1-CB 3.66Å; Y358-K409 HydrophobicContact CE1-CG 4.19Å
359K92.9Very high73.3Confident89 Ų89100.8 Ų100.839%0.38751%0.512SS..EExtended strand (participates in β ladder)trans-103.2131.1175.9-167.8169.7-174.2166.60110V361 D378 A408K359-V361 PolarHBondContact O-N 3.5Å; K359-D378 CarbonylContact C-O 3.58Å; K359-D378 WeakPolarHBondContact CA-O 3.29Å; K359-A408 PolarHBondContact N-O 3.14Å; K359-A408 PolarHBondContact O-N 2.92Å
360A91.6Very high75.7Confident1 Ų197.5 Ų97.51%0.00850%0.5CS..EExtended strand (participates in β ladder)trans-63.9120.6171.500000109.8I374 S375 V376 G377 D378 Y406 L407A360-I374 HydrophobicContact CB-CB 4.28Å; A360-I374 HydrophobicContact CB-CD1 3.92Å; A360-I374 HydrophobicContact CB-CG1 4.44Å; A360-S375 VanDerWaalsContact CB-O 3.26Å; A360-S375 WeakPolarHBondContact CB-O 3.39Å; A360-V376 WeakPolarHBondContact O-CA 3.45Å; A360-G377 PolarHBondContact O-N 2.7Å; A360-D378 HydrophobicContact CB-CB 4.22Å; A360-D378 PolarHBondContact N-O 3.16Å; A360-Y406 WeakPolarHBondContact CA-O 3.16Å; A360-L407 HydrophobicContact CB-CD2 4.4Å
361V94.1Very high78.4Confident60 Ų6092.7 Ų92.736%0.36447%0.473SS..  trans-99.4-11.7177.3-71.50000112.8K359 Y406 A408K359-V361 PolarHBondContact O-N 3.5Å; V361-Y406 VanDerWaalsContact CG2-O 3.24Å; V361-Y406 WeakPolarHBondContact CG2-O 3.3Å; V361-Y406 PolarHBondContact N-O 3.45Å; V361-A408 HydrophobicContact CG1-CB 3.51Å; V361-A408 HydrophobicContact CG2-CB 4.47Å
362Y90.3Very high81.2Confident142 Ų14284.3 Ų84.356%0.55744%0.437SS*.SBendtrans-137151.5173.8-61.7-72000110.3Y406Y362-Y406 HydrophobicContact CD2-CD2 4.41Å; Y362-Y406 HydrophobicContact CD2-CG 4.26Å; Y362-Y406 HydrophobicContact CG-CD1 4.36Å
363D91.6Very high83.9Confident101 Ų10180.5 Ų80.554%0.5442%0.421SS..  trans-72.6139.7171.6-62-38.7000110.1I374 S375 V376 Y406D363-I374 CarbonylContact C-O 3.57Å; D363-I374 WeakPolarHBondContact CA-O 3.11Å; D363-S375 WeakPolarHBondContact OD1-CA 3.27Å; D363-S375 WeakPolarHBondContact OD1-CB 3.47Å; D363-V376 PolarHBondContact OD1-N 3.48Å; D363-Y406 WeakPolarHBondContact O-CE1 3.43Å
364Y92.6Very high86.3Confident24 Ų2474.6 Ų74.69%0.09439%0.394CS..BIsolated β-bridgetrans-136.4134.5173.1-176.8-102.6000110E371 S373 I374 W390 P403 Y406Y364-E371 HydrophobicContact CE1-CB 4.47Å; Y364-E371 VanDerWaalsContact OH-CD 3.28Å; Y364-E371 PolarHBondContact OH-OE2 2.88Å; Y364-S373 CarbonylContact O-C 3.57Å; Y364-S373 VanDerWaalsContact O-CA 3.22Å; Y364-S373 WeakPolarHBondContact O-CA 3.3Å; Y364-I374 PolarHBondContact N-O 3.28Å; Y364-I374 PolarHBondContact O-N 3.2Å; Y364-W390 HydrophobicContact CE1-CZ3 4.13Å; Y364-W390 HydrophobicContact CE2-CH2 4.2Å; Y364-W390 HydrophobicContact CE2-CZ3 4.4Å; Y364-W390 AromaticContact CZ-CH2 3.76Å; Y364-W390 AromaticContact CZ-CZ3 3.75Å; Y364-W390 WeakPolarHBondContact OH-CH2 3.22Å; Y364-W390 WeakPolarHBondContact OH-CZ3 3.48Å; Y364-P403 HydrophobicContact CD2-CG 3.74Å; Y364-P403 HydrophobicContact CE2-CG 3.77Å; Y364-P403 HydrophobicContact CG-CG 4.26Å; Y364-Y406 HydrophobicContact CD2-CE1 4.39Å
365V93Very high88.3Confident109 Ų10972.6 Ų72.666%0.66138%0.38SS*.  trans-113.1122.4176.9-178.80000108Q367V365-Q367 PolarHBondContact O-N 3.49Å
366A91.5Very high90Very high31 Ų3174.3 Ų74.326%0.25639%0.388SS..  trans-56131.4177.900000111.5E371 S373A366-E371 HydrophobicContact CB-CB 3.71Å; A366-E371 WeakPolarHBondContact CB-O 3.41Å; A366-S373 PolarHBondContact N-OG 2.94Å
367Q88.3Confident90.7Very high171 Ų17171.3 Ų71.380%0.79938%0.384SS*.  trans-106.2-20.9178-57.1-174.417.300112.1V365 E371V365-Q367 PolarHBondContact O-N 3.49Å; Q367-E371 PolarHBondContact N-OE2 3.3Å
368G84.3Confident90.8Very high28 Ų2868.2 Ų68.229%0.28937%0.371SS..SBendtrans-117168.6176.800000113.4D370 E371G368-D370 PolarHBondContact O-N 2.99Å; G368-E371 PolarHBondContact O-N 3.43Å
369E83.1Confident90.8Very high210 Ų21070.2 Ų70.298%0.98139%0.385SS*.THydrogen-bonded Turntrans-73.5-16.6176.7-64.8-172.8164.700113
370D89.3Confident90.7Very high102 Ų10266 Ų6655%0.54537%0.367SS..THydrogen-bonded Turntrans-95.4-4.3178.656-33.7000113.6G368 G400 L401G368-D370 PolarHBondContact O-N 2.99Å; D370-G400 CarbonylContact O-C 3.58Å; D370-G400 WeakPolarHBondContact O-CA 3.41Å; D370-L401 PolarHBondContact O-N 3.34Å
371E92.1Very high90.7Very high41 Ų4167.8 Ų67.819%0.19238%0.378CS..BIsolated β-bridgetrans-100.3155-178.2-65.3179.1-163.400112.8Y364 A366 Q367 G368 W390 L401Y364-E371 HydrophobicContact CE1-CB 4.47Å; Y364-E371 VanDerWaalsContact OH-CD 3.28Å; Y364-E371 PolarHBondContact OH-OE2 2.88Å; A366-E371 HydrophobicContact CB-CB 3.71Å; A366-E371 WeakPolarHBondContact CB-O 3.41Å; Q367-E371 PolarHBondContact N-OE2 3.3Å; G368-E371 PolarHBondContact O-N 3.43Å; E371-W390 HydrophobicContact CG-CZ3 4.33Å; E371-L401 WeakPolarHBondContact CA-O 3.4Å; E371-L401 HydrophobicContact CG-CB 4.33Å
372L92.1Very high90.4Very high18 Ų1865.6 Ų65.69%0.09437%0.365CS..  trans-118.8128.9179.1-172.569.4000111.7V393 R395 Q398 L401 V402L372-V393 HydrophobicContact CD2-CG2 4.05Å; L372-R395 HydrophobicContact CD2-CB 4.11Å; L372-Q398 HydrophobicContact CD1-CB 4.17Å; L372-L401 PolarHBondContact N-O 3.45Å; L372-V402 HydrophobicContact CB-CG1 4.17Å; L372-V402 VanDerWaalsContact O-CG1 3.28Å; L372-V402 WeakPolarHBondContact O-CG1 3.4Å
373S93.1Very high90.4Very high57 Ų5762.3 Ų62.340%0.39936%0.356SS..  trans-73.6131173-61.20000111.1Y364 A366 R395Y364-S373 CarbonylContact O-C 3.57Å; Y364-S373 VanDerWaalsContact O-CA 3.22Å; Y364-S373 WeakPolarHBondContact O-CA 3.3Å; A366-S373 PolarHBondContact N-OG 2.94Å; S373-R395 PolarHBondContact O-NH1 3.27Å
374I93.3Very high90.2Very high2 Ų262.3 Ų62.31%0.0136%0.356CS..BIsolated β-bridgetrans-127.8149176.754.8168.2000110.6A360 D363 Y364 V380 V402 L407A360-I374 HydrophobicContact CB-CB 4.28Å; A360-I374 HydrophobicContact CB-CD1 3.92Å; A360-I374 HydrophobicContact CB-CG1 4.44Å; D363-I374 CarbonylContact C-O 3.57Å; D363-I374 WeakPolarHBondContact CA-O 3.11Å; Y364-I374 PolarHBondContact N-O 3.28Å; Y364-I374 PolarHBondContact O-N 3.2Å; I374-V380 HydrophobicContact CG2-CG1 4.15Å; I374-V402 HydrophobicContact CD1-CB 4.12Å; I374-V402 HydrophobicContact CD1-CG1 4.09Å; I374-V402 HydrophobicContact CD1-CG2 4.46Å; I374-V402 HydrophobicContact CG1-CG1 4.22Å; I374-V402 HydrophobicContact CG2-CG1 3.99Å; I374-L407 HydrophobicContact CD1-CD2 3.99Å
375S92Very high90.1Very high64 Ų6465.1 Ų65.145%0.44837%0.37SS..  trans-118.3153.3174.4-64.20000110.8A360 D363 G377 D378A360-S375 VanDerWaalsContact CB-O 3.26Å; A360-S375 WeakPolarHBondContact CB-O 3.39Å; D363-S375 WeakPolarHBondContact OD1-CA 3.27Å; D363-S375 WeakPolarHBondContact OD1-CB 3.47Å; S375-G377 PolarHBondContact O-N 3.16Å; S375-D378 WeakPolarHBondContact CA-OD2 3.39Å; S375-D378 PolarHBondContact N-OD2 2.95Å; S375-D378 VanDerWaalsContact O-CB 3.28Å; S375-D378 WeakPolarHBondContact O-CB 3.44Å; S375-D378 VanDerWaalsContact O-CG 3.3Å; S375-D378 PolarHBondContact O-N 3.44Å
376V92.7Very high89.7Confident88 Ų8860.9 Ų60.953%0.53335%0.348SS..THydrogen-bonded Turntrans-52.9125.1178.1179.40000109.9A360 D363A360-V376 WeakPolarHBondContact O-CA 3.45Å; D363-V376 PolarHBondContact OD1-N 3.48Å
377G87.5Confident89.5Confident32 Ų3269.3 Ų69.333%0.3338%0.382SS..THydrogen-bonded Turntrans99.6-10.8-179.400000115A360 S375A360-G377 PolarHBondContact O-N 2.7Å; S375-G377 PolarHBondContact O-N 3.16Å
378D90.2Very high89.3Confident41 Ų4167 Ų6722%0.21938%0.375CS..  trans-66.4134175.3-73.5-34.3000111.3K359 A360 S375 R395K359-D378 CarbonylContact C-O 3.58Å; K359-D378 WeakPolarHBondContact CA-O 3.29Å; A360-D378 HydrophobicContact CB-CB 4.22Å; A360-D378 PolarHBondContact N-O 3.16Å; S375-D378 WeakPolarHBondContact CA-OD2 3.39Å; S375-D378 PolarHBondContact N-OD2 2.95Å; S375-D378 VanDerWaalsContact O-CB 3.28Å; S375-D378 WeakPolarHBondContact O-CB 3.44Å; S375-D378 VanDerWaalsContact O-CG 3.3Å; S375-D378 PolarHBondContact O-N 3.44Å; D378-R395 VanDerWaalsContact CG-NH1 3.3Å; D378-R395 IonicContact OD1-NH1 2.72Å; D378-R395 IonicContact OD2-CZ 2.81Å; D378-R395 IonicContact OD2-NH1 2.83Å; D378-R395 PolarHBondContact OD2-NH1 3.38Å; D378-R395 IonicContact OD2-NH2 2.6Å
379V90.4Very high89.5Confident64 Ų6467.3 Ų67.339%0.38838%0.379SS..EExtended strand (participates in β ladder)trans-94127.8173.4-177.80000108.6E357 Y358E357-V379 HydrophobicContact CB-CG1 4.05Å; E357-V379 HydrophobicContact CG-CG1 4.22Å; Y358-V379 WeakPolarHBondContact O-CA 3.45Å
380V90.8Very high89.9Confident1 Ų161.2 Ų61.21%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-129.3148.6-179.3-56.30000110.5Y358 I374 V393 R395 L407Y358-V380 PolarHBondContact N-O 3.19Å; Y358-V380 PolarHBondContact O-N 3.1Å; I374-V380 HydrophobicContact CG2-CG1 4.15Å; V380-V393 HydrophobicContact CB-CB 4.01Å; V380-V393 HydrophobicContact CB-CG1 4.48Å; V380-V393 HydrophobicContact CB-CG2 4.27Å; V380-V393 HydrophobicContact CG1-CG2 4.46Å; V380-V393 HydrophobicContact CG2-CB 4.01Å; V380-V393 HydrophobicContact CG2-CG1 3.93Å; V380-V393 HydrophobicContact CG2-CG2 4.38Å; V380-R395 HydrophobicContact CG1-CB 4.12Å; V380-R395 HydrophobicContact CG1-CG 4.26Å; V380-L407 HydrophobicContact CG2-CD1 4.08Å; V380-L407 HydrophobicContact CG2-CD2 3.65Å
381V91.6Very high90.1Very high37 Ų3758.3 Ų58.322%0.22433%0.328CS..EExtended strand (participates in β ladder)trans-96.3119.5174176.10000108.5E357 I383 V393 Q394E357-V381 HydrophobicContact CG-CG2 4.4Å; V381-I383 PolarHBondContact O-N 3.44Å; V381-V393 CarbonylContact O-C 3.51Å; V381-V393 VanDerWaalsContact O-CA 3.24Å; V381-V393 WeakPolarHBondContact O-CA 3.29Å; V381-Q394 PolarHBondContact N-O 2.76Å; V381-Q394 PolarHBondContact O-N 3.5Å
382V89.6Confident90.1Very high15 Ų1558.4 Ų58.49%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-77.6120.4174.9177.20000109.5K356 Y358 E385 W391 V393 L407K356-V382 PolarHBondContact O-N 3.47Å; Y358-V382 HydrophobicContact CD2-CB 4.03Å; Y358-V382 HydrophobicContact CD2-CG2 3.25Å; Y358-V382 HydrophobicContact CE2-CB 4Å; Y358-V382 HydrophobicContact CE2-CG2 3.58Å; Y358-V382 HydrophobicContact CG-CG2 3.97Å; V382-E385 HydrophobicContact CG1-CG 3.78Å; V382-W391 HydrophobicContact CG1-CE3 4.03Å; V382-W391 HydrophobicContact CG2-CE3 3.77Å; V382-W391 HydrophobicContact CG2-CZ3 4.21Å; V382-V393 HydrophobicContact CG2-CG1 3.89Å; V382-L407 HydrophobicContact CG2-CD1 4.04Å
383I88.7Confident90.1Very high73 Ų7357.6 Ų57.637%0.37433%0.327SS..EExtended strand (participates in β ladder)trans-90.8-43.6176.9-62.2171.4000110.1V381 T392 Q394V381-I383 PolarHBondContact O-N 3.44Å; I383-T392 HydrophobicContact CB-CG2 4.3Å; I383-T392 HydrophobicContact CD1-CG2 4.43Å; I383-T392 PolarHBondContact N-O 2.76Å; I383-Q394 HydrophobicContact CD1-CB 3.79Å; I383-Q394 HydrophobicContact CG1-CB 4.39Å
384D88Confident90Very high101 Ų10158.7 Ų58.754%0.5433%0.326SS..EExtended strand (participates in β ladder)trans-146.6137.6-177.2-168.628.9000111.8W391 T392D384-W391 CarbonylContact O-C 3.56Å; D384-W391 WeakPolarHBondContact O-CA 3.44Å; D384-T392 PolarHBondContact N-O 3.4Å; D384-T392 PolarHBondContact O-N 2.65Å
385E90.8Very high89.7Confident82 Ų8261.9 Ų61.938%0.38334%0.338SS..EExtended strand (participates in β ladder)trans-104.491.2-179.4-66176.6-14400108.4K356 V382 W391K356-E385 IonicContact NZ-OE1 3.68Å; K356-E385 PolarHBondContact NZ-OE1 3.4Å; V382-E385 HydrophobicContact CG1-CG 3.78Å; E385-W391 HydrophobicContact CB-CD2 4.38Å; E385-W391 HydrophobicContact CB-CZ2 4.47Å; E385-W391 HydrophobicContact CG-CD2 4.01Å; E385-W391 HydrophobicContact CG-CE3 4.25Å; E385-W391 HydrophobicContact CG-CH2 4.37Å; E385-W391 HydrophobicContact CG-CZ2 4.11Å; E385-W391 HydrophobicContact CG-CZ3 4.43Å
386G85.3Confident89.2Confident20 Ų2066 Ų6621%0.20636%0.355CS..  trans-64.1137.6-179.500000112.9D388 G389 W390G386-D388 PolarHBondContact O-N 2.94Å; G386-G389 PolarHBondContact O-N 3.35Å; G386-G389 VanDerWaalsContact O-N 3.11Å; G386-W390 VanDerWaalsContact CA-O 3.27Å; G386-W390 WeakPolarHBondContact CA-O 3.24Å; G386-W390 PolarHBondContact N-O 3.46Å; G386-W390 VanDerWaalsContact N-O 3.14Å
387E85.7Confident88.5Confident209 Ų20964.8 Ų64.898%0.97736%0.361SS*.THydrogen-bonded Turntrans-66.6-15.5178.9-63.6-173.8173.300113.2G389E387-G389 VanDerWaalsContact C-N 3.3Å
388D85.3Confident88.2Confident121 Ų12169.6 Ų69.665%0.64738%0.375SS*.THydrogen-bonded Turntrans-84.6-2.4175.765.5-10.1000113.5G386 W390G386-D388 PolarHBondContact O-N 2.94Å; D388-W390 PolarHBondContact OD1-N 2.96Å
389G87.1Confident88.2Confident36 Ų3671 Ų7137%0.37139%0.388SS..SBendtrans90.51.8-179.400000114.6G386 E387 G404G386-G389 PolarHBondContact O-N 3.35Å; G386-G389 VanDerWaalsContact O-N 3.11Å; E387-G389 VanDerWaalsContact C-N 3.3Å; G389-G404 PolarHBondContact O-N 3.44Å
390W92.5Very high88.3Confident82 Ų8268.3 Ų68.331%0.31137%0.373SS..EExtended strand (participates in β ladder)trans-98.6122.9173.2-68.690.6000110.5Y364 E371 G386 D388 L401 P403Y364-W390 HydrophobicContact CE1-CZ3 4.13Å; Y364-W390 HydrophobicContact CE2-CH2 4.2Å; Y364-W390 HydrophobicContact CE2-CZ3 4.4Å; Y364-W390 AromaticContact CZ-CH2 3.76Å; Y364-W390 AromaticContact CZ-CZ3 3.75Å; Y364-W390 WeakPolarHBondContact OH-CH2 3.22Å; Y364-W390 WeakPolarHBondContact OH-CZ3 3.48Å; E371-W390 HydrophobicContact CG-CZ3 4.33Å; G386-W390 VanDerWaalsContact CA-O 3.27Å; G386-W390 WeakPolarHBondContact CA-O 3.24Å; G386-W390 PolarHBondContact N-O 3.46Å; G386-W390 VanDerWaalsContact N-O 3.14Å; D388-W390 PolarHBondContact OD1-N 2.96Å; W390-L401 HydrophobicContact CB-CD2 4.26Å; W390-L401 HydrophobicContact CE3-CB 4.07Å; W390-P403 HydrophobicContact CE3-CG 4.36Å; W390-P403 HydrophobicContact CH2-CG 4.12Å; W390-P403 HydrophobicContact CZ3-CG 3.91Å
391W93.9Very high88.4Confident41 Ų4170.4 Ų70.416%0.15538%0.384CS..EExtended strand (participates in β ladder)trans-107.1135.5-176.7-67.27.3000109.7Y358 V382 D384 E385 V393 L401 V402 G404 L407Y358-W391 HydrophobicContact CD1-CZ3 4.2Å; Y358-W391 HydrophobicContact CE1-CH2 4.31Å; Y358-W391 AromaticContact CE1-CZ3 3.83Å; Y358-W391 HydrophobicContact CE1-CZ3 3.83Å; Y358-W391 HydrophobicContact CE2-CZ3 4.3Å; Y358-W391 AromaticContact CZ-CZ3 3.88Å; V382-W391 HydrophobicContact CG1-CE3 4.03Å; V382-W391 HydrophobicContact CG2-CE3 3.77Å; V382-W391 HydrophobicContact CG2-CZ3 4.21Å; D384-W391 CarbonylContact O-C 3.56Å; D384-W391 WeakPolarHBondContact O-CA 3.44Å; E385-W391 HydrophobicContact CB-CD2 4.38Å; E385-W391 HydrophobicContact CB-CZ2 4.47Å; E385-W391 HydrophobicContact CG-CD2 4.01Å; E385-W391 HydrophobicContact CG-CE3 4.25Å; E385-W391 HydrophobicContact CG-CH2 4.37Å; E385-W391 HydrophobicContact CG-CZ2 4.11Å; E385-W391 HydrophobicContact CG-CZ3 4.43Å; W391-V393 HydrophobicContact CB-CG1 4.46Å; W391-L401 WeakPolarHBondContact O-CA 3.46Å; W391-V402 PolarHBondContact N-O 3.26Å; W391-V402 PolarHBondContact O-N 3.1Å; W391-G404 VanDerWaalsContact CD2-CA 3.46Å; W391-L407 HydrophobicContact CE3-CD1 3.85Å; W391-L407 HydrophobicContact CZ3-CD1 4.47Å
392T91.9Very high88.5Confident43 Ų4368.6 Ų68.626%0.26437%0.373SS..EExtended strand (participates in β ladder)trans-82.6119.1173.5-58.30000108.2I383 D384 L401I383-T392 HydrophobicContact CB-CG2 4.3Å; I383-T392 HydrophobicContact CD1-CG2 4.43Å; I383-T392 PolarHBondContact N-O 2.76Å; D384-T392 PolarHBondContact N-O 3.4Å; D384-T392 PolarHBondContact O-N 2.65Å; T392-L401 WeakPolarHBondContact OG1-CD2 3.4Å
393V92.6Very high88.6Confident0 Ų068.7 Ų68.70%037%0.374CS..EExtended strand (participates in β ladder)trans-124156.4-178.9-58.80000111.8L372 V380 V381 V382 W391 S399 G400 V402 L407L372-V393 HydrophobicContact CD2-CG2 4.05Å; V380-V393 HydrophobicContact CB-CB 4.01Å; V380-V393 HydrophobicContact CB-CG1 4.48Å; V380-V393 HydrophobicContact CB-CG2 4.27Å; V380-V393 HydrophobicContact CG1-CG2 4.46Å; V380-V393 HydrophobicContact CG2-CB 4.01Å; V380-V393 HydrophobicContact CG2-CG1 3.93Å; V380-V393 HydrophobicContact CG2-CG2 4.38Å; V381-V393 CarbonylContact O-C 3.51Å; V381-V393 VanDerWaalsContact O-CA 3.24Å; V381-V393 WeakPolarHBondContact O-CA 3.29Å; V382-V393 HydrophobicContact CG2-CG1 3.89Å; W391-V393 HydrophobicContact CB-CG1 4.46Å; V393-S399 VanDerWaalsContact O-CA 3.24Å; V393-S399 WeakPolarHBondContact O-CA 3.24Å; V393-G400 PolarHBondContact N-O 3.31Å; V393-G400 PolarHBondContact O-N 3.27Å; V393-G400 VanDerWaalsContact O-N 3.11Å; V393-V402 HydrophobicContact CB-CG2 4.27Å; V393-V402 HydrophobicContact CG1-CG2 3.62Å; V393-V402 HydrophobicContact CG2-CB 4.34Å; V393-V402 HydrophobicContact CG2-CG1 3.75Å; V393-V402 HydrophobicContact CG2-CG2 3.61Å; V393-L407 HydrophobicContact CG1-CD1 3.76Å
394Q90.8Very high88.7Confident80 Ų8065.5 Ų65.537%0.37436%0.359SS..EExtended strand (participates in β ladder)trans-119.9131.8173.8-170.4172.73400111.2V381 I383 Q398V381-Q394 PolarHBondContact N-O 2.76Å; V381-Q394 PolarHBondContact O-N 3.5Å; I383-Q394 HydrophobicContact CD1-CB 3.79Å; I383-Q394 HydrophobicContact CG1-CB 4.39Å; Q394-Q398 CarbonylContact C-O 3.59Å; Q394-Q398 WeakPolarHBondContact CA-O 3.38Å
395R86.6Confident88.9Confident69 Ų6965.2 Ų65.226%0.2637%0.365SS..EExtended strand (participates in β ladder)trans-138125.4174.3-163.2-17592.6-174.620.6110L372 S373 D378 V380 G397 Q398L372-R395 HydrophobicContact CD2-CB 4.11Å; S373-R395 PolarHBondContact O-NH1 3.27Å; D378-R395 VanDerWaalsContact CG-NH1 3.3Å; D378-R395 IonicContact OD1-NH1 2.72Å; D378-R395 IonicContact OD2-CZ 2.81Å; D378-R395 IonicContact OD2-NH1 2.83Å; D378-R395 PolarHBondContact OD2-NH1 3.38Å; D378-R395 IonicContact OD2-NH2 2.6Å; V380-R395 HydrophobicContact CG1-CB 4.12Å; V380-R395 HydrophobicContact CG1-CG 4.26Å; R395-G397 PolarHBondContact O-N 3.3Å; R395-G397 VanDerWaalsContact O-N 3.12Å; R395-Q398 PolarHBondContact N-O 3.02Å; R395-Q398 PolarHBondContact O-N 3.33Å
396N80.8Confident88.9Confident151 Ų15165.1 Ų65.181%0.80736%0.361SS*.THydrogen-bonded Turntrans51.336.2176.9-60-23.5000114.3Q398N396-Q398 VanDerWaalsContact C-N 3.29Å; N396-Q398 PolarHBondContact O-N 3.46Å
397G78.1Confident89.2Confident63 Ų6364.9 Ų64.965%0.64936%0.355SS*.THydrogen-bonded Turntrans80.6-1.3-179.500000115.5R395R395-G397 PolarHBondContact O-N 3.3Å; R395-G397 VanDerWaalsContact O-N 3.12Å
398Q80.9Confident89.4Confident133 Ų13356.8 Ų56.862%0.62132%0.324SS*.EExtended strand (participates in β ladder)trans-99.3140.1170.7-63.5-178.27.700109.9L372 Q394 R395 N396L372-Q398 HydrophobicContact CD1-CB 4.17Å; Q394-Q398 CarbonylContact C-O 3.59Å; Q394-Q398 WeakPolarHBondContact CA-O 3.38Å; R395-Q398 PolarHBondContact N-O 3.02Å; R395-Q398 PolarHBondContact O-N 3.33Å; N396-Q398 VanDerWaalsContact C-N 3.29Å; N396-Q398 PolarHBondContact O-N 3.46Å
399S91.1Very high89.3Confident71 Ų7158.2 Ų58.250%0.49733%0.325SS..EExtended strand (participates in β ladder)trans-124143179.7-53.40000110.4V393V393-S399 VanDerWaalsContact O-CA 3.24Å; V393-S399 WeakPolarHBondContact O-CA 3.24Å
400G91.9Very high88Confident7 Ų764.5 Ų64.57%0.07234%0.344CS..EExtended strand (participates in β ladder)trans-175.6175.7175.700000111.9D370 V393D370-G400 CarbonylContact O-C 3.58Å; D370-G400 WeakPolarHBondContact O-CA 3.41Å; V393-G400 PolarHBondContact N-O 3.31Å; V393-G400 PolarHBondContact O-N 3.27Å; V393-G400 VanDerWaalsContact O-N 3.11Å
401L93.5Very high87.8Confident44 Ų4463.6 Ų63.623%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-81.7138-178.5-65.7169.5000111.6D370 E371 L372 W390 W391 T392D370-L401 PolarHBondContact O-N 3.34Å; E371-L401 WeakPolarHBondContact CA-O 3.4Å; E371-L401 HydrophobicContact CG-CB 4.33Å; L372-L401 PolarHBondContact N-O 3.45Å; W390-L401 HydrophobicContact CB-CD2 4.26Å; W390-L401 HydrophobicContact CE3-CB 4.07Å; W391-L401 WeakPolarHBondContact O-CA 3.46Å; T392-L401 WeakPolarHBondContact OG1-CD2 3.4Å
402V93.6Very high87.5Confident0 Ų064.8 Ų64.80%036%0.356CS..EExtended strand (participates in β ladder)trans-136.5154.8170.2-60.30000110.2L372 I374 W391 V393 G404 L407L372-V402 HydrophobicContact CB-CG1 4.17Å; L372-V402 VanDerWaalsContact O-CG1 3.28Å; L372-V402 WeakPolarHBondContact O-CG1 3.4Å; I374-V402 HydrophobicContact CD1-CB 4.12Å; I374-V402 HydrophobicContact CD1-CG1 4.09Å; I374-V402 HydrophobicContact CD1-CG2 4.46Å; I374-V402 HydrophobicContact CG1-CG1 4.22Å; I374-V402 HydrophobicContact CG2-CG1 3.99Å; W391-V402 PolarHBondContact N-O 3.26Å; W391-V402 PolarHBondContact O-N 3.1Å; V393-V402 HydrophobicContact CB-CG2 4.27Å; V393-V402 HydrophobicContact CG1-CG2 3.62Å; V393-V402 HydrophobicContact CG2-CB 4.34Å; V393-V402 HydrophobicContact CG2-CG1 3.75Å; V393-V402 HydrophobicContact CG2-CG2 3.61Å; V402-G404 PolarHBondContact O-N 3.34Å; V402-L407 HydrophobicContact CG2-CD1 3.76Å; V402-L407 HydrophobicContact CG2-CG 4.29Å
403P92.5Very high87.2Confident16 Ų1666 Ų6610%0.10436%0.361CS..EExtended strand (participates in β ladder)trans-64.1121.4173-20.132.4000110.7Y364 W390 S405 Y406Y364-P403 HydrophobicContact CD2-CG 3.74Å; Y364-P403 HydrophobicContact CE2-CG 3.77Å; Y364-P403 HydrophobicContact CG-CG 4.26Å; W390-P403 HydrophobicContact CE3-CG 4.36Å; W390-P403 HydrophobicContact CH2-CG 4.12Å; W390-P403 HydrophobicContact CZ3-CG 3.91Å; P403-S405 PolarHBondContact O-N 3.29Å; P403-S405 VanDerWaalsContact O-N 3.14Å; P403-Y406 HydrophobicContact CB-CD2 3.73Å; P403-Y406 HydrophobicContact CB-CE2 4.19Å; P403-Y406 HydrophobicContact CB-CG 4.12Å; P403-Y406 HydrophobicContact CG-CD2 4.31Å; P403-Y406 HydrophobicContact CG-CG 4.42Å; P403-Y406 WeakPolarHBondContact O-CB 3.42Å; P403-Y406 PolarHBondContact O-N 3.48Å
404G89.8Confident86.9Confident6 Ų669.9 Ų69.96%0.06238%0.382CS..G310 helixtrans-60.1-27.7-179.300000113.4G389 W391 V402 Y406 L407G389-G404 PolarHBondContact O-N 3.44Å; W391-G404 VanDerWaalsContact CD2-CA 3.46Å; V402-G404 PolarHBondContact O-N 3.34Å; G404-Y406 PolarHBondContact O-N 3.45Å; G404-L407 PolarHBondContact O-N 3.32Å
405S92Very high86.7Confident95 Ų9569.3 Ų69.366%0.66438%0.383SS*.G310 helixtrans-67.6-10.9175.156.80000114.3P403 L407P403-S405 PolarHBondContact O-N 3.29Å; P403-S405 VanDerWaalsContact O-N 3.14Å; S405-L407 VanDerWaalsContact C-N 3.33Å
406Y91.6Very high86.7Confident80 Ų8069.3 Ų69.331%0.31439%0.391SS..G310 helixtrans-93.91.5179-74.5-139.4000111.8A360 V361 Y362 D363 Y364 P403 G404A360-Y406 WeakPolarHBondContact CA-O 3.16Å; V361-Y406 VanDerWaalsContact CG2-O 3.24Å; V361-Y406 WeakPolarHBondContact CG2-O 3.3Å; V361-Y406 PolarHBondContact N-O 3.45Å; Y362-Y406 HydrophobicContact CD2-CD2 4.41Å; Y362-Y406 HydrophobicContact CD2-CG 4.26Å; Y362-Y406 HydrophobicContact CG-CD1 4.36Å; D363-Y406 WeakPolarHBondContact O-CE1 3.43Å; Y364-Y406 HydrophobicContact CD2-CE1 4.39Å; P403-Y406 HydrophobicContact CB-CD2 3.73Å; P403-Y406 HydrophobicContact CB-CE2 4.19Å; P403-Y406 HydrophobicContact CB-CG 4.12Å; P403-Y406 HydrophobicContact CG-CD2 4.31Å; P403-Y406 HydrophobicContact CG-CG 4.42Å; P403-Y406 WeakPolarHBondContact O-CB 3.42Å; P403-Y406 PolarHBondContact O-N 3.48Å; G404-Y406 PolarHBondContact O-N 3.45Å
407L91.8Very high87.1Confident16 Ų1663.4 Ų63.48%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-115.1131.6-177.3-60.2-179.7000110.2Y358 A360 I374 V380 V382 W391 V393 V402 G404 S405Y358-L407 HydrophobicContact CD1-CB 4.11Å; Y358-L407 HydrophobicContact CG-CB 4.3Å; A360-L407 HydrophobicContact CB-CD2 4.4Å; I374-L407 HydrophobicContact CD1-CD2 3.99Å; V380-L407 HydrophobicContact CG2-CD1 4.08Å; V380-L407 HydrophobicContact CG2-CD2 3.65Å; V382-L407 HydrophobicContact CG2-CD1 4.04Å; W391-L407 HydrophobicContact CE3-CD1 3.85Å; W391-L407 HydrophobicContact CZ3-CD1 4.47Å; V393-L407 HydrophobicContact CG1-CD1 3.76Å; V402-L407 HydrophobicContact CG2-CD1 3.76Å; V402-L407 HydrophobicContact CG2-CG 4.29Å; G404-L407 PolarHBondContact O-N 3.32Å; S405-L407 VanDerWaalsContact C-N 3.33Å
408A88.3Confident87.8Confident39 Ų3963.5 Ų63.532%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-114.4136.3171.400000109.7Y358 K359 V361 E410Y358-A408 CarbonylContact C-O 3.48Å; Y358-A408 WeakPolarHBondContact CA-O 3.48Å; Y358-A408 VanDerWaalsContact CD1-C 3.46Å; K359-A408 PolarHBondContact N-O 3.14Å; K359-A408 PolarHBondContact O-N 2.92Å; V361-A408 HydrophobicContact CG1-CB 3.51Å; V361-A408 HydrophobicContact CG2-CB 4.47Å; A408-E410 PolarHBondContact O-N 3.02Å
409K84.7Confident88.3Confident151 Ų15157.7 Ų57.766%0.65732%0.315SS*.EExtended strand (participates in β ladder)trans-66.3129.2176.6-167.5177.5179.6-1770108.6Y358Y358-K409 HydrophobicContact CD1-CB 3.99Å; Y358-K409 VanDerWaalsContact CD1-N 3.32Å; Y358-K409 HydrophobicContact CE1-CB 3.66Å; Y358-K409 HydrophobicContact CE1-CG 4.19Å
410E59.4Low88.1Confident167 Ų16756.5 Ų56.578%0.7830%0.299SS*.  trans-72.60176.4-164.7160.6-165.400112.5A408A408-E410 PolarHBondContact O-N 3.02Å

Retrieved 410 of 410 residues in 782.8 ms (Link to these results)

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