A0A096MN19_PAPAN Loading...

Nuclear factor 1

Recognizes and binds the palindromic sequence 5'-TTGGCNNNNNGCCAA-3' present in viral and cellular promoters and in the origin of replication of adenovirus type 2. These proteins are individually capable of activating transcription and replication.

AlphaFold DB (A0A6D2VSF2), UniProt , Accession A0A096MN19, Species PAPAN (Papio anubis, Olive baboon), Gene NFIA, Length 501 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
1M38.5Very low80.7Confident242 Ų24296.2 Ų96.2100%1.19249%0.487SS*.  0136.10-76.8159.5154.500107.6E3M1-E3 PolarHBondContact O-N 3.32Å
2D48.2Very low82Confident160 Ų16090.1 Ų90.186%0.85646%0.457SS*.  trans-79.5100.4159.6-99.2-35.1000106.3F4D2-F4 PolarHBondContact O-N 3.17Å
3E54Low83.1Confident184 Ų18488 Ų8886%0.8645%0.453SS*.PPolyproline II helixtrans-69.9119.7174.8-169.6173.8-167.500108.7M1 H5M1-E3 PolarHBondContact O-N 3.32Å; E3-H5 PolarHBondContact O-N 3.13Å; E3-H5 VanDerWaalsContact O-N 3.14Å
4F75.6Confident84.1Confident127 Ų12786.6 Ų86.656%0.55744%0.443SS*.PPolyproline II helixtrans-67.9116.7-175.1-83.6-89.8000109.9D2D2-F4 PolarHBondContact O-N 3.17Å
5H91.6Very high85Confident75 Ų7580.9 Ų80.935%0.34741%0.414SS..PPolyproline II helixtrans-55.1126.4179.6178.4-61.3000110.4E3 F7 I8 E9 R72E3-H5 PolarHBondContact O-N 3.13Å; E3-H5 VanDerWaalsContact O-N 3.14Å; H5-F7 VanDerWaalsContact C-N 3.32Å; H5-F7 WeakPolarHBondContact ND1-CB 3.4Å; H5-F7 PolarHBondContact ND1-N 3.06Å; H5-F7 VanDerWaalsContact ND1-N 3.19Å; H5-F7 PolarHBondContact O-N 2.72Å; H5-I8 HydrophobicContact CB-CD1 4.22Å; H5-I8 HydrophobicContact CB-CG1 4.49Å; H5-I8 WeakPolarHBondContact O-CB 3.31Å; H5-I8 PolarHBondContact O-N 3.4Å; H5-E9 PolarHBondContact O-N 2.69Å; H5-R72 PolarHBondContact CE1-NE 3.39Å; H5-R72 PolarHBondContact NE2-NE 3.34Å; H5-R72 VanDerWaalsContact NE2-NE 3.15Å; H5-R72 PolarHBondContact NE2-NH2 2.91Å
6P94.8Very high85.8Confident84 Ų8480.8 Ų80.855%0.54541%0.407SS..Hα-helixtrans-51-38.7-168.7-33.435.8000116.4I8 E9 A10P6-I8 PolarHBondContact O-N 3.04Å; P6-E9 PolarHBondContact O-N 2.81Å; P6-A10 WeakPolarHBondContact O-CB 3.13Å; P6-A10 PolarHBondContact O-N 2.89Å
7F97.2Very high86.4Confident10 Ų1077.2 Ų77.24%0.04439%0.393CS..Hα-helixtrans-52-37.9171.4177.9-84.3000114.2H5 L11 R72 I75 R80 F83 V84H5-F7 VanDerWaalsContact C-N 3.32Å; H5-F7 WeakPolarHBondContact ND1-CB 3.4Å; H5-F7 PolarHBondContact ND1-N 3.06Å; H5-F7 VanDerWaalsContact ND1-N 3.19Å; H5-F7 PolarHBondContact O-N 2.72Å; F7-L11 HydrophobicContact CD1-CD1 3.9Å; F7-L11 HydrophobicContact CD2-CD1 4.2Å; F7-L11 HydrophobicContact CE1-CD1 3.51Å; F7-L11 HydrophobicContact CE2-CD1 3.85Å; F7-L11 HydrophobicContact CG-CD1 4.22Å; F7-L11 HydrophobicContact CZ-CD1 3.48Å; F7-L11 VanDerWaalsContact CZ-CD1 3.48Å; F7-L11 WeakPolarHBondContact O-CB 3.31Å; F7-L11 VanDerWaalsContact O-CD1 3.26Å; F7-L11 WeakPolarHBondContact O-CD1 3.44Å; F7-L11 VanDerWaalsContact O-CG 3.24Å; F7-L11 WeakPolarHBondContact O-CG 3.43Å; F7-R72 HydrophobicContact CD1-CB 3.69Å; F7-R72 HydrophobicContact CD1-CG 3.82Å; F7-R72 HydrophobicContact CD2-CG 4.34Å; F7-R72 HydrophobicContact CE1-CB 3.54Å; F7-R72 HydrophobicContact CE1-CG 4.03Å; F7-R72 HydrophobicContact CG-CB 4.38Å; F7-R72 HydrophobicContact CG-CG 4Å; F7-R72 HydrophobicContact CZ-CB 4.1Å; F7-R72 HydrophobicContact CZ-CG 4.37Å; F7-I75 HydrophobicContact CE2-CD1 4.46Å; F7-I75 HydrophobicContact CZ-CD1 3.99Å; F7-R80 HydrophobicContact CD2-CB 4.02Å; F7-R80 HydrophobicContact CE2-CB 4.03Å; F7-R80 HydrophobicContact CE2-CG 4.29Å; F7-F83 AromaticContact CE2-CD1 3.75Å; F7-F83 HydrophobicContact CE2-CD1 3.75Å; F7-F83 AromaticContact CZ-CD1 3.67Å; F7-F83 HydrophobicContact CZ-CD1 3.67Å; F7-F83 HydrophobicContact CZ-CE1 4.02Å; F7-V84 HydrophobicContact CB-CG2 4.47Å; F7-V84 HydrophobicContact CD2-CG2 3.55Å; F7-V84 HydrophobicContact CE2-CG2 4.06Å; F7-V84 HydrophobicContact CG-CG2 4.19Å
8I97.1Very high86.8Confident17 Ų1772.9 Ų72.99%0.08737%0.371CS..Hα-helixtrans-76.1-49.1180-59.8174.2000109.4H5 P6 A10 L11 L12 L68 A69H5-I8 HydrophobicContact CB-CD1 4.22Å; H5-I8 HydrophobicContact CB-CG1 4.49Å; H5-I8 WeakPolarHBondContact O-CB 3.31Å; H5-I8 PolarHBondContact O-N 3.4Å; P6-I8 PolarHBondContact O-N 3.04Å; I8-A10 PolarHBondContact O-N 3.09Å; I8-L11 PolarHBondContact O-N 3.17Å; I8-L12 WeakPolarHBondContact O-CB 3.29Å; I8-L12 PolarHBondContact O-N 3.13Å; I8-L68 HydrophobicContact CG1-CB 4.21Å; I8-L68 HydrophobicContact CG2-CB 4.15Å; I8-L68 HydrophobicContact CG2-CD1 4.09Å; I8-A69 HydrophobicContact CD1-CB 3.76Å
9E95.7Very high87.4Confident123 Ų12369.1 Ų69.158%0.57535%0.352SS*.Hα-helixtrans-54.6-52.1178.2-178.4-175.8-161.400111.6H5 P6 L11 L12 P13H5-E9 PolarHBondContact O-N 2.69Å; P6-E9 PolarHBondContact O-N 2.81Å; E9-L11 PolarHBondContact O-N 3.18Å; E9-L12 PolarHBondContact O-N 3.44Å; E9-P13 WeakPolarHBondContact O-CD 3.34Å
10A96.7Very high87.9Confident36 Ų3666.6 Ų66.630%0.29834%0.337SS..THydrogen-bonded Turntrans-67.8-14.8-179.100000114.5P6 I8 H14 V84 T88P6-A10 WeakPolarHBondContact O-CB 3.13Å; P6-A10 PolarHBondContact O-N 2.89Å; I8-A10 PolarHBondContact O-N 3.09Å; A10-H14 PolarHBondContact O-CD2 3.44Å; A10-V84 HydrophobicContact CB-CG1 3.57Å; A10-T88 WeakPolarHBondContact O-CG2 3.23Å
11L97.9Very high88.4Confident0 Ų063.5 Ų63.50%032%0.322CS..THydrogen-bonded Turntrans-107.5-21.2179.5-71.1174.4000113.9F7 I8 E9 H14 V15 L68 F83 V84 V87 F129F7-L11 HydrophobicContact CD1-CD1 3.9Å; F7-L11 HydrophobicContact CD2-CD1 4.2Å; F7-L11 HydrophobicContact CE1-CD1 3.51Å; F7-L11 HydrophobicContact CE2-CD1 3.85Å; F7-L11 HydrophobicContact CG-CD1 4.22Å; F7-L11 HydrophobicContact CZ-CD1 3.48Å; F7-L11 VanDerWaalsContact CZ-CD1 3.48Å; F7-L11 WeakPolarHBondContact O-CB 3.31Å; F7-L11 VanDerWaalsContact O-CD1 3.26Å; F7-L11 WeakPolarHBondContact O-CD1 3.44Å; F7-L11 VanDerWaalsContact O-CG 3.24Å; F7-L11 WeakPolarHBondContact O-CG 3.43Å; I8-L11 PolarHBondContact O-N 3.17Å; E9-L11 PolarHBondContact O-N 3.18Å; L11-H14 PolarHBondContact O-N 2.95Å; L11-V15 PolarHBondContact O-N 2.86Å; L11-L68 HydrophobicContact CB-CD1 4.03Å; L11-L68 HydrophobicContact CB-CD2 3.99Å; L11-L68 HydrophobicContact CD1-CD2 4.19Å; L11-F83 HydrophobicContact CD1-CD1 3.7Å; L11-F83 HydrophobicContact CD1-CE1 3.59Å; L11-F83 HydrophobicContact CD2-CD1 4.4Å; L11-F83 HydrophobicContact CD2-CE1 4.27Å; L11-V84 HydrophobicContact CD1-CG2 4.14Å; L11-V84 HydrophobicContact CD2-CG2 4.48Å; L11-V84 HydrophobicContact CG-CG2 4.11Å; L11-V87 HydrophobicContact CD2-CB 3.75Å; L11-V87 HydrophobicContact CD2-CG1 3.62Å; L11-V87 HydrophobicContact CD2-CG2 4.34Å; L11-F129 HydrophobicContact CD2-CE1 4.33Å
12L97.3Very high91.2Very high23 Ų2353 Ų5312%0.1227%0.269CS..G310 helixtrans-58.5-41.1-178.6-174.267.3000112.2I8 E9 H14 V15 Q61 A64 L68 I228I8-L12 WeakPolarHBondContact O-CB 3.29Å; I8-L12 PolarHBondContact O-N 3.13Å; E9-L12 PolarHBondContact O-N 3.44Å; L12-H14 PolarHBondContact O-N 3.47Å; L12-H14 VanDerWaalsContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 3.22Å; L12-Q61 HydrophobicContact CD2-CB 4.44Å; L12-A64 HydrophobicContact CD1-CB 3.67Å; L12-L68 HydrophobicContact CB-CD1 4.3Å; L12-L68 HydrophobicContact CD1-CD1 4.38Å; L12-I228 HydrophobicContact CD1-CG2 3.75Å; L12-I228 HydrophobicContact CG-CG2 4.28Å; L12-I228 WeakPolarHBondContact O-CG2 3.31Å
13P96.3Very high93.5Very high63 Ų6345.5 Ų45.541%0.40923%0.229SC..G310 helixtrans-65.9-10.7172.7-22.434.8000115.7E9 P227 A229E9-P13 WeakPolarHBondContact O-CD 3.34Å; P13-P227 WeakPolarHBondContact O-CB 3.2Å; P13-A229 HydrophobicContact CB-CB 4.26Å; P13-A229 HydrophobicContact CG-CB 4.3Å
14H96.9Very high95.6Very high68 Ų6838 Ų3832%0.31520%0.195SC..G310 helixtrans-103.3-9.6-179.5-64.2-91.6000113.2A10 L11 L12 V87 F129A10-H14 PolarHBondContact O-CD2 3.44Å; L11-H14 PolarHBondContact O-N 2.95Å; L12-H14 PolarHBondContact O-N 3.47Å; L12-H14 VanDerWaalsContact O-N 3.16Å; H14-V87 HydrophobicContact CB-CG1 3.68Å; H14-V87 PolarHBondContact ND1-O 2.85Å; H14-F129 HydrophobicContact CB-CD1 4.09Å; H14-F129 HydrophobicContact CB-CE1 4.15Å; H14-F129 WeakPolarHBondContact O-CD1 3.35Å
15V98.1Very high96.6Very high1 Ų132.1 Ų32.11%0.00617%0.169CC..SBendtrans-77.1130.2172.11730000109.8L11 L12 A64 L68 L128 F129 P227 I228L11-V15 PolarHBondContact O-N 2.86Å; L12-V15 PolarHBondContact O-N 3.22Å; V15-A64 HydrophobicContact CG1-CB 4.1Å; V15-L68 HydrophobicContact CG2-CD1 4.1Å; V15-L68 HydrophobicContact CG2-CD2 4.1Å; V15-L68 HydrophobicContact CG2-CG 4.32Å; V15-L128 CarbonylContact C-O 3.54Å; V15-L128 WeakPolarHBondContact CA-O 3.31Å; V15-L128 HydrophobicContact CG1-CD2 3.69Å; V15-L128 HydrophobicContact CG2-CD2 4.46Å; V15-F129 HydrophobicContact CG2-CE1 3.95Å; V15-F129 HydrophobicContact CG2-CZ 4.19Å; V15-P227 CarbonylContact O-C 3.59Å; V15-P227 WeakPolarHBondContact O-CA 3.49Å; V15-I228 HydrophobicContact CB-CG2 3.93Å; V15-I228 HydrophobicContact CG1-CB 4.47Å; V15-I228 HydrophobicContact CG1-CD1 4.4Å; V15-I228 HydrophobicContact CG1-CG2 4.1Å; V15-I228 WeakPolarHBondContact O-CB 3.34Å; V15-I228 PolarHBondContact O-N 3.34Å
16R97.1Very high96.8Very high79 Ų7929.1 Ų29.130%0.29816%0.155SC..BIsolated β-bridgetrans-75.1134.9176-52.6-55175.9160.1-2.4111.2F18 A19 L128 F129 S224 Q225 T226R16-F18 VanDerWaalsContact C-N 3.26Å; R16-F18 PolarHBondContact O-N 2.99Å; R16-A19 WeakPolarHBondContact O-CB 3.39Å; R16-A19 PolarHBondContact O-N 3.4Å; R16-A19 VanDerWaalsContact O-N 3.12Å; R16-L128 WeakPolarHBondContact CG-O 3.46Å; R16-L128 PolarHBondContact N-O 2.98Å; R16-F129 PolarHBondContact NE-O 2.86Å; R16-F129 PolarHBondContact NH2-O 2.92Å; R16-S224 WeakPolarHBondContact CB-O 3.39Å; R16-S224 VanDerWaalsContact CD-O 3.23Å; R16-S224 WeakPolarHBondContact CD-O 3.46Å; R16-S224 WeakPolarHBondContact CG-O 3.48Å; R16-Q225 PolarHBondContact NH1-O 3.31Å; R16-T226 WeakPolarHBondContact CA-O 3.35Å
17A95.3Very high96.9Very high20 Ų2026.1 Ų26.117%0.16514%0.138CC..THydrogen-bonded Turntrans-58.9-38.5179.700000112.2A19 Y20 T226 I228A17-A19 PolarHBondContact O-N 3.47Å; A17-A19 VanDerWaalsContact O-N 3.11Å; A17-Y20 WeakPolarHBondContact O-CB 3.39Å; A17-Y20 PolarHBondContact O-N 3.45Å; A17-Y20 VanDerWaalsContact O-N 3.13Å; A17-T226 HydrophobicContact CB-CG2 4.48Å; A17-T226 WeakPolarHBondContact CB-O 3.26Å; A17-T226 PolarHBondContact N-O 3.47Å; A17-I228 HydrophobicContact CB-CB 4.34Å; A17-I228 HydrophobicContact CB-CG1 4.33Å
18F95.2Very high96.8Very high1 Ų129.7 Ų29.70%0.00415%0.151CC..Hα-helixtrans-49.6-34.2174.7169.2-108000114.1R16 Y20 T21 W22 G131 P133 F215 L220 V223R16-F18 VanDerWaalsContact C-N 3.26Å; R16-F18 PolarHBondContact O-N 2.99Å; F18-Y20 PolarHBondContact O-N 3.31Å; F18-T21 PolarHBondContact O-N 2.77Å; F18-T21 VanDerWaalsContact O-N 3.08Å; F18-W22 HydrophobicContact CD1-CB 4.39Å; F18-W22 HydrophobicContact CE1-CB 3.84Å; F18-W22 HydrophobicContact CE1-CD2 4.28Å; F18-W22 AromaticContact CE1-CG 3.97Å; F18-W22 HydrophobicContact CE1-CG 3.97Å; F18-W22 HydrophobicContact CE2-CB 4.04Å; F18-W22 HydrophobicContact CE2-CD2 4.42Å; F18-W22 AromaticContact CE2-CE3 4Å; F18-W22 HydrophobicContact CE2-CE3 4Å; F18-W22 HydrophobicContact CE2-CG 4.48Å; F18-W22 HydrophobicContact CZ-CB 3.64Å; F18-W22 AromaticContact CZ-CD2 3.65Å; F18-W22 HydrophobicContact CZ-CD2 3.65Å; F18-W22 AromaticContact CZ-CE3 3.54Å; F18-W22 HydrophobicContact CZ-CE3 3.54Å; F18-W22 AromaticContact CZ-CG 3.71Å; F18-W22 HydrophobicContact CZ-CG 3.71Å; F18-W22 HydrophobicContact CZ-CZ3 4.39Å; F18-W22 WeakPolarHBondContact O-CB 3.26Å; F18-W22 PolarHBondContact O-N 2.82Å; F18-G131 VanDerWaalsContact CD1-O 3.27Å; F18-G131 WeakPolarHBondContact CD1-O 3.29Å; F18-G131 VanDerWaalsContact CE1-O 3.31Å; F18-G131 WeakPolarHBondContact CE1-O 3.46Å; F18-P133 HydrophobicContact CE1-CB 4.07Å; F18-P133 HydrophobicContact CZ-CB 3.76Å; F18-F215 HydrophobicContact CD2-CE1 4.3Å; F18-F215 HydrophobicContact CD2-CZ 4.22Å; F18-F215 HydrophobicContact CE2-CE1 4.04Å; F18-F215 HydrophobicContact CE2-CE2 4.01Å; F18-F215 AromaticContact CE2-CZ 3.7Å; F18-F215 HydrophobicContact CE2-CZ 3.7Å; F18-L220 HydrophobicContact CE2-CD2 4.03Å; F18-L220 HydrophobicContact CZ-CD2 4.1Å; F18-V223 HydrophobicContact CB-CB 4.37Å; F18-V223 HydrophobicContact CB-CG2 4.12Å; F18-V223 WeakPolarHBondContact CB-O 3.34Å; F18-V223 HydrophobicContact CD2-CB 4.46Å; F18-V223 HydrophobicContact CD2-CG2 3.47Å; F18-V223 VanDerWaalsContact CD2-CG2 3.47Å; F18-V223 HydrophobicContact CE2-CG2 4.22Å; F18-V223 HydrophobicContact CG-CG2 4.05Å
19A97.8Very high96.7Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-58.8-36.1-178.100000112.3R16 A17 F23 W63 I127 L128R16-A19 WeakPolarHBondContact O-CB 3.39Å; R16-A19 PolarHBondContact O-N 3.4Å; R16-A19 VanDerWaalsContact O-N 3.12Å; A17-A19 PolarHBondContact O-N 3.47Å; A17-A19 VanDerWaalsContact O-N 3.11Å; A19-F23 HydrophobicContact CB-CD2 4.47Å; A19-F23 HydrophobicContact CB-CE2 4.38Å; A19-F23 WeakPolarHBondContact O-CD2 3.23Å; A19-F23 PolarHBondContact O-N 3.15Å; A19-W63 HydrophobicContact CB-CH2 3.92Å; A19-W63 HydrophobicContact CB-CZ3 4.27Å; A19-I127 HydrophobicContact CB-CG2 3.9Å; A19-L128 HydrophobicContact CB-CD2 3.89Å
20Y97.8Very high96.6Very high18 Ų1828.2 Ų28.27%0.07114%0.14CC..Hα-helixtrans-59.6-54.1173.8176.4-90.7000110.9A17 F18 W22 N24 L52 E55 V59 K60 W63A17-Y20 WeakPolarHBondContact O-CB 3.39Å; A17-Y20 PolarHBondContact O-N 3.45Å; A17-Y20 VanDerWaalsContact O-N 3.13Å; F18-Y20 PolarHBondContact O-N 3.31Å; Y20-W22 VanDerWaalsContact C-N 3.34Å; Y20-W22 PolarHBondContact O-N 3.4Å; Y20-N24 WeakPolarHBondContact CD2-ND2 3.46Å; Y20-N24 VanDerWaalsContact CE2-ND2 3.31Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.46Å; Y20-N24 WeakPolarHBondContact O-CB 3.12Å; Y20-N24 PolarHBondContact O-N 3.47Å; Y20-N24 VanDerWaalsContact O-N 3.08Å; Y20-N24 PolarHBondContact O-ND2 3.46Å; Y20-L52 HydrophobicContact CE1-CD2 4.02Å; Y20-E55 HydrophobicContact CE1-CB 4.11Å; Y20-E55 HydrophobicContact CE1-CG 3.65Å; Y20-E55 PolarHBondContact OH-OE2 3.49Å; Y20-E55 VanDerWaalsContact OH-OE2 3.12Å; Y20-V59 HydrophobicContact CE2-CG1 4.48Å; Y20-K60 HydrophobicContact CD1-CD 4.45Å; Y20-K60 HydrophobicContact CD1-CG 3.72Å; Y20-K60 HydrophobicContact CD2-CB 4.45Å; Y20-K60 HydrophobicContact CD2-CG 4.15Å; Y20-K60 HydrophobicContact CE1-CG 4.15Å; Y20-K60 HydrophobicContact CG-CB 4.33Å; Y20-K60 HydrophobicContact CG-CG 3.74Å; Y20-W63 HydrophobicContact CD2-CB 3.77Å; Y20-W63 AromaticContact CD2-CD2 3.68Å; Y20-W63 HydrophobicContact CD2-CD2 3.68Å; Y20-W63 AromaticContact CD2-CE3 3.74Å; Y20-W63 HydrophobicContact CD2-CE3 3.74Å; Y20-W63 AromaticContact CD2-CG 3.68Å; Y20-W63 HydrophobicContact CD2-CG 3.68Å; Y20-W63 HydrophobicContact CE2-CB 3.89Å; Y20-W63 HydrophobicContact CE2-CG 4.07Å; Y20-W63 HydrophobicContact CG-CE3 4.27Å
21T97.2Very high96.5Very high2 Ų234.2 Ų34.21%0.01216%0.159CC..Hα-helixtrans-60.8-44.1-178-53.30000110.5F18 N24 L25 L52 L53 F215F18-T21 PolarHBondContact O-N 2.77Å; F18-T21 VanDerWaalsContact O-N 3.08Å; T21-N24 PolarHBondContact O-N 3.02Å; T21-L25 WeakPolarHBondContact O-CB 3.39Å; T21-L25 PolarHBondContact O-N 3.4Å; T21-L52 HydrophobicContact CG2-CB 3.79Å; T21-L52 PolarHBondContact OG1-O 3.24Å; T21-L53 HydrophobicContact CG2-CD2 3.9Å; T21-L53 HydrophobicContact CG2-CG 3.92Å; T21-F215 HydrophobicContact CG2-CZ 3.96Å
22W97.3Very high96.3Very high23 Ų2336.4 Ų36.49%0.08717%0.168CC..Hα-helixtrans-63.1-52.7179.8-170.2-116.5000113F18 Y20 N24 L25 Q26 P133 L134 E135 F215F18-W22 HydrophobicContact CD1-CB 4.39Å; F18-W22 HydrophobicContact CE1-CB 3.84Å; F18-W22 HydrophobicContact CE1-CD2 4.28Å; F18-W22 AromaticContact CE1-CG 3.97Å; F18-W22 HydrophobicContact CE1-CG 3.97Å; F18-W22 HydrophobicContact CE2-CB 4.04Å; F18-W22 HydrophobicContact CE2-CD2 4.42Å; F18-W22 AromaticContact CE2-CE3 4Å; F18-W22 HydrophobicContact CE2-CE3 4Å; F18-W22 HydrophobicContact CE2-CG 4.48Å; F18-W22 HydrophobicContact CZ-CB 3.64Å; F18-W22 AromaticContact CZ-CD2 3.65Å; F18-W22 HydrophobicContact CZ-CD2 3.65Å; F18-W22 AromaticContact CZ-CE3 3.54Å; F18-W22 HydrophobicContact CZ-CE3 3.54Å; F18-W22 AromaticContact CZ-CG 3.71Å; F18-W22 HydrophobicContact CZ-CG 3.71Å; F18-W22 HydrophobicContact CZ-CZ3 4.39Å; F18-W22 WeakPolarHBondContact O-CB 3.26Å; F18-W22 PolarHBondContact O-N 2.82Å; Y20-W22 VanDerWaalsContact C-N 3.34Å; Y20-W22 PolarHBondContact O-N 3.4Å; W22-N24 VanDerWaalsContact C-N 3.32Å; W22-N24 PolarHBondContact O-N 2.93Å; W22-L25 PolarHBondContact O-N 3.41Å; W22-Q26 HydrophobicContact CD2-CG 4.35Å; W22-Q26 HydrophobicContact CZ2-CG 4.41Å; W22-Q26 WeakPolarHBondContact O-CB 3.2Å; W22-Q26 VanDerWaalsContact O-CG 3.28Å; W22-Q26 WeakPolarHBondContact O-CG 3.36Å; W22-Q26 PolarHBondContact O-N 2.91Å; W22-P133 HydrophobicContact CD2-CB 4.3Å; W22-P133 HydrophobicContact CE3-CB 4.34Å; W22-P133 HydrophobicContact CH2-CB 3.91Å; W22-P133 HydrophobicContact CZ2-CB 3.86Å; W22-P133 VanDerWaalsContact CZ2-O 3.28Å; W22-P133 WeakPolarHBondContact CZ2-O 3.33Å; W22-P133 HydrophobicContact CZ3-CB 4.14Å; W22-L134 PolarHBondContact NE1-O 3.17Å; W22-E135 HydrophobicContact CZ2-CG 4.3Å; W22-F215 HydrophobicContact CE3-CE2 4.1Å; W22-F215 HydrophobicContact CZ3-CD2 4.41Å; W22-F215 HydrophobicContact CZ3-CE2 4.2Å
23F97.6Very high96.2Very high1 Ų140.5 Ų40.50%0.00419%0.185CC..Hα-helixtrans-63.4-37.8179.8-74.4-58.4000112.3A19 A27 W63 C111 L112 W119 V124 I127A19-F23 HydrophobicContact CB-CD2 4.47Å; A19-F23 HydrophobicContact CB-CE2 4.38Å; A19-F23 WeakPolarHBondContact O-CD2 3.23Å; A19-F23 PolarHBondContact O-N 3.15Å; F23-A27 WeakPolarHBondContact O-CB 3.38Å; F23-A27 PolarHBondContact O-N 3.21Å; F23-W63 HydrophobicContact CB-CZ2 4.49Å; F23-W63 AromaticContact CD2-CH2 3.75Å; F23-W63 HydrophobicContact CD2-CH2 3.75Å; F23-W63 AromaticContact CD2-CZ2 3.52Å; F23-W63 HydrophobicContact CD2-CZ2 3.52Å; F23-W63 HydrophobicContact CE2-CH2 4.21Å; F23-W63 HydrophobicContact CE2-CZ2 4.18Å; F23-W63 HydrophobicContact CG-CZ2 4.39Å; F23-C111 HydrophobicContact CD1-CB 3.91Å; F23-C111 HydrophobicContact CD2-CB 4.28Å; F23-C111 HydrophobicContact CE1-CB 4.14Å; F23-C111 HydrophobicContact CE2-CB 4.48Å; F23-C111 HydrophobicContact CG-CB 4Å; F23-C111 HydrophobicContact CZ-CB 4.41Å; F23-L112 HydrophobicContact CB-CD1 4.29Å; F23-L112 WeakPolarHBondContact O-CD1 3.24Å; F23-W119 HydrophobicContact CD1-CD2 4.18Å; F23-W119 AromaticContact CD1-CE2 3.73Å; F23-W119 HydrophobicContact CD1-CH2 4.1Å; F23-W119 AromaticContact CD1-CZ2 3.7Å; F23-W119 HydrophobicContact CD1-CZ2 3.7Å; F23-W119 AromaticContact CE1-CD2 3.7Å; F23-W119 HydrophobicContact CE1-CD2 3.7Å; F23-W119 AromaticContact CE1-CE2 3.75Å; F23-W119 AromaticContact CE1-CE3 3.83Å; F23-W119 HydrophobicContact CE1-CE3 3.83Å; F23-W119 HydrophobicContact CE1-CG 4.24Å; F23-W119 HydrophobicContact CE1-CH2 4.05Å; F23-W119 AromaticContact CE1-CZ2 3.95Å; F23-W119 HydrophobicContact CE1-CZ2 3.95Å; F23-W119 AromaticContact CE1-CZ3 4Å; F23-W119 HydrophobicContact CE1-CZ3 4Å; F23-V124 HydrophobicContact CZ-CB 4.44Å; F23-V124 HydrophobicContact CZ-CG1 4.19Å; F23-V124 HydrophobicContact CZ-CG2 4.21Å; F23-I127 HydrophobicContact CD2-CG2 4.31Å; F23-I127 HydrophobicContact CE1-CD1 3.72Å; F23-I127 HydrophobicContact CE1-CG2 4.44Å; F23-I127 HydrophobicContact CE2-CB 4.26Å; F23-I127 HydrophobicContact CE2-CG2 3.62Å; F23-I127 HydrophobicContact CZ-CB 3.94Å; F23-I127 HydrophobicContact CZ-CD1 3.67Å; F23-I127 HydrophobicContact CZ-CG1 4.42Å; F23-I127 HydrophobicContact CZ-CG2 3.69Å
24N97.3Very high96.1Very high27 Ų2744.7 Ų44.714%0.14420%0.197CC..Hα-helixtrans-72.7-42.2178.2-77.6-72.6000112.6Y20 T21 W22 Q26 A27 R28 L52 L112Y20-N24 WeakPolarHBondContact CD2-ND2 3.46Å; Y20-N24 VanDerWaalsContact CE2-ND2 3.31Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.46Å; Y20-N24 WeakPolarHBondContact O-CB 3.12Å; Y20-N24 PolarHBondContact O-N 3.47Å; Y20-N24 VanDerWaalsContact O-N 3.08Å; Y20-N24 PolarHBondContact O-ND2 3.46Å; T21-N24 PolarHBondContact O-N 3.02Å; W22-N24 VanDerWaalsContact C-N 3.32Å; W22-N24 PolarHBondContact O-N 2.93Å; N24-Q26 VanDerWaalsContact C-N 3.34Å; N24-Q26 PolarHBondContact O-N 3.03Å; N24-A27 CarbonylContact O-C 3.54Å; N24-A27 WeakPolarHBondContact O-CB 3.3Å; N24-A27 PolarHBondContact O-N 3.33Å; N24-A27 VanDerWaalsContact O-N 3.11Å; N24-R28 VanDerWaalsContact O-CG 3.25Å; N24-R28 WeakPolarHBondContact O-CG 3.23Å; N24-R28 PolarHBondContact O-N 3.11Å; N24-L52 HydrophobicContact CB-CD1 3.66Å; N24-L52 HydrophobicContact CB-CD2 3.65Å; N24-L52 HydrophobicContact CB-CG 4.29Å; N24-L112 WeakPolarHBondContact OD1-CD2 3.43Å
25L96.6Very high96Very high3 Ų348.9 Ų48.92%0.01621%0.214CC..Hα-helixtrans-58.9-47.9175176.963.2000110.2T21 W22 A27 R28 K29 M40 V48 L52 V214 F215T21-L25 WeakPolarHBondContact O-CB 3.39Å; T21-L25 PolarHBondContact O-N 3.4Å; W22-L25 PolarHBondContact O-N 3.41Å; L25-A27 VanDerWaalsContact C-N 3.26Å; L25-A27 PolarHBondContact O-N 3.04Å; L25-R28 PolarHBondContact O-N 3.13Å; L25-R28 VanDerWaalsContact O-N 3.1Å; L25-K29 HydrophobicContact CD1-CD 4.47Å; L25-K29 HydrophobicContact CD1-CG 4.43Å; L25-K29 HydrophobicContact CG-CD 4.21Å; L25-K29 WeakPolarHBondContact O-CG 3.21Å; L25-K29 PolarHBondContact O-N 3.22Å; L25-M40 HydrophobicContact CD1-CE 4.4Å; L25-V48 HydrophobicContact CD1-CB 4.22Å; L25-V48 HydrophobicContact CD1-CG1 3.69Å; L25-L52 HydrophobicContact CB-CD1 4.05Å; L25-V214 HydrophobicContact CD2-CG2 4.08Å; L25-F215 HydrophobicContact CD2-CE2 3.87Å
26Q95.9Very high95.9Very high13 Ų1353 Ų536%0.06123%0.233CC..Hα-helixtrans-63.8-28.3176.6-69.6-69.80.100113.1W22 N24 R30 W119 E135W22-Q26 HydrophobicContact CD2-CG 4.35Å; W22-Q26 HydrophobicContact CZ2-CG 4.41Å; W22-Q26 WeakPolarHBondContact O-CB 3.2Å; W22-Q26 VanDerWaalsContact O-CG 3.28Å; W22-Q26 WeakPolarHBondContact O-CG 3.36Å; W22-Q26 PolarHBondContact O-N 2.91Å; N24-Q26 VanDerWaalsContact C-N 3.34Å; N24-Q26 PolarHBondContact O-N 3.03Å; Q26-R30 WeakPolarHBondContact O-CG 3.33Å; Q26-R30 VanDerWaalsContact O-CZ 3.24Å; Q26-R30 PolarHBondContact O-N 2.84Å; Q26-R30 PolarHBondContact O-NH1 2.88Å; Q26-W119 HydrophobicContact CB-CZ2 4.38Å; Q26-E135 PolarHBondContact NE2-OE1 2.86Å
27A96.1Very high95.9Very high21 Ų2157.7 Ų57.717%0.17426%0.258CS..Hα-helixtrans-74.4-40.5170.400000112.6F23 N24 L25 R30 K31 L112F23-A27 WeakPolarHBondContact O-CB 3.38Å; F23-A27 PolarHBondContact O-N 3.21Å; N24-A27 CarbonylContact O-C 3.54Å; N24-A27 WeakPolarHBondContact O-CB 3.3Å; N24-A27 PolarHBondContact O-N 3.33Å; N24-A27 VanDerWaalsContact O-N 3.11Å; L25-A27 VanDerWaalsContact C-N 3.26Å; L25-A27 PolarHBondContact O-N 3.04Å; A27-R30 PolarHBondContact O-N 2.92Å; A27-K31 WeakPolarHBondContact O-CB 3.21Å; A27-K31 PolarHBondContact O-N 3.41Å; A27-L112 HydrophobicContact CB-CD1 3.69Å
28R95.6Very high95.9Very high84 Ų8463.2 Ų63.232%0.31728%0.278SS..Hα-helixtrans-64-46.1176-62.3-129.7-168.7156.7-1.3111.5N24 L25 R30 K31 Y32 V48 E51N24-R28 VanDerWaalsContact O-CG 3.25Å; N24-R28 WeakPolarHBondContact O-CG 3.23Å; N24-R28 PolarHBondContact O-N 3.11Å; L25-R28 PolarHBondContact O-N 3.13Å; L25-R28 VanDerWaalsContact O-N 3.1Å; R28-R30 VanDerWaalsContact C-N 3.33Å; R28-R30 PolarHBondContact O-N 2.88Å; R28-K31 PolarHBondContact O-N 3.29Å; R28-K31 VanDerWaalsContact O-N 3.12Å; R28-Y32 WeakPolarHBondContact O-CB 3.29Å; R28-Y32 PolarHBondContact O-N 2.77Å; R28-V48 HydrophobicContact CB-CG1 3.9Å; R28-V48 HydrophobicContact CG-CG1 3.88Å; R28-E51 IonicContact CZ-OE1 2.67Å; R28-E51 IonicContact CZ-OE2 2.81Å; R28-E51 VanDerWaalsContact NH1-CD 3.28Å; R28-E51 IonicContact NH1-OE1 3.14Å; R28-E51 PolarHBondContact NH1-OE1 3.13Å; R28-E51 IonicContact NH1-OE2 2.63Å; R28-E51 PolarHBondContact NH1-OE2 3.34Å; R28-E51 IonicContact NH2-OE1 2.68Å; R28-E51 PolarHBondContact NH2-OE1 3.37Å; R28-E51 IonicContact NH2-OE2 3.78Å
29K94.6Very high95.8Very high41 Ų4173.1 Ų73.118%0.17832%0.316CS..Hα-helixtrans-51-48.9174-72175.865.4128.30111.9L25 F33 M40 E45L25-K29 HydrophobicContact CD1-CD 4.47Å; L25-K29 HydrophobicContact CD1-CG 4.43Å; L25-K29 HydrophobicContact CG-CD 4.21Å; L25-K29 WeakPolarHBondContact O-CG 3.21Å; L25-K29 PolarHBondContact O-N 3.22Å; K29-F33 PolarHBondContact O-N 3.3Å; K29-F33 VanDerWaalsContact O-N 3.08Å; K29-M40 HydrophobicContact CB-CE 4.47Å; K29-M40 HydrophobicContact CG-CE 3.64Å; K29-E45 VanDerWaalsContact CD-OE1 3.27Å; K29-E45 WeakPolarHBondContact CD-OE1 3.41Å; K29-E45 WeakPolarHBondContact CE-OE1 3.42Å; K29-E45 VanDerWaalsContact CG-OE1 3.3Å; K29-E45 WeakPolarHBondContact CG-OE1 3.15Å; K29-E45 IonicContact NZ-OE1 2.71Å; K29-E45 PolarHBondContact NZ-OE1 3.36Å; K29-E45 IonicContact NZ-OE2 3.09Å; K29-E45 PolarHBondContact NZ-OE2 3.35Å
30R94Very high95.6Very high68 Ų6873.9 Ų73.926%0.25732%0.32SS..Hα-helixtrans-66.8-42.2176.2-70.2-171-58.8-90.2-4.7113.3Q26 A27 R28 Y32 F33 K34Q26-R30 WeakPolarHBondContact O-CG 3.33Å; Q26-R30 VanDerWaalsContact O-CZ 3.24Å; Q26-R30 PolarHBondContact O-N 2.84Å; Q26-R30 PolarHBondContact O-NH1 2.88Å; A27-R30 PolarHBondContact O-N 2.92Å; R28-R30 VanDerWaalsContact C-N 3.33Å; R28-R30 PolarHBondContact O-N 2.88Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; R30-F33 PolarHBondContact O-N 3.46Å; R30-K34 WeakPolarHBondContact O-CB 3.49Å; R30-K34 PolarHBondContact O-N 3.13Å
31K94.5Very high95.4Very high162 Ų16275.1 Ų75.170%0.70433%0.331SS*.Hα-helixtrans-65.8-37.4178.8-172.8177.8179.5-178.50112A27 R28 K35A27-K31 WeakPolarHBondContact O-CB 3.21Å; A27-K31 PolarHBondContact O-N 3.41Å; R28-K31 PolarHBondContact O-N 3.29Å; R28-K31 VanDerWaalsContact O-N 3.12Å; K31-K35 WeakPolarHBondContact O-CB 3.35Å; K31-K35 PolarHBondContact O-N 2.88Å
32Y95Very high95.2Very high46 Ų4678.4 Ų78.418%0.1835%0.345CS..Hα-helixtrans-61.7-54.2172.9-171.7-74.6000110.2R28 R30 K34 K35 H36 K38 M40 E44R28-Y32 WeakPolarHBondContact O-CB 3.29Å; R28-Y32 PolarHBondContact O-N 2.77Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-K34 VanDerWaalsContact C-N 3.32Å; Y32-K34 PolarHBondContact O-N 2.82Å; Y32-K35 PolarHBondContact O-N 2.95Å; Y32-H36 HydrophobicContact CD1-CB 4.11Å; Y32-H36 HydrophobicContact CE1-CB 3.86Å; Y32-H36 WeakPolarHBondContact O-CB 3.26Å; Y32-H36 PolarHBondContact O-N 3.43Å; Y32-K38 WeakPolarHBondContact CD1-O 3.49Å; Y32-M40 HydrophobicContact CD1-CB 3.87Å; Y32-M40 HydrophobicContact CD2-CB 4.12Å; Y32-M40 HydrophobicContact CD2-CG 3.89Å; Y32-M40 HydrophobicContact CD2-SD 3.81Å; Y32-M40 HydrophobicContact CE1-CB 4.16Å; Y32-M40 HydrophobicContact CE2-CB 4.37Å; Y32-M40 HydrophobicContact CE2-CG 4.01Å; Y32-M40 HydrophobicContact CE2-SD 4.39Å; Y32-M40 HydrophobicContact CG-CB 3.86Å; Y32-M40 HydrophobicContact CG-CG 4.14Å; Y32-M40 HydrophobicContact CG-SD 4.2Å; Y32-E44 WeakPolarHBondContact CE2-OE1 3.23Å; Y32-E44 VanDerWaalsContact CZ-OE1 3.25Å; Y32-E44 VanDerWaalsContact OH-CD 3.26Å; Y32-E44 PolarHBondContact OH-OE1 3.01Å; Y32-E44 PolarHBondContact OH-OE2 3.38Å
33F94.6Very high95Very high110 Ų11082.6 Ų82.648%0.48237%0.366SS..Hα-helixtrans-56.7-43.2178.5-173.7-92.9000112.4K29 R30 K35 E37 K38 R39K29-F33 PolarHBondContact O-N 3.3Å; K29-F33 VanDerWaalsContact O-N 3.08Å; R30-F33 PolarHBondContact O-N 3.46Å; F33-K35 PolarHBondContact O-N 3.16Å; F33-E37 WeakPolarHBondContact CE2-O 3.4Å; F33-E37 VanDerWaalsContact O-CA 3.24Å; F33-E37 WeakPolarHBondContact O-CA 3.43Å; F33-E37 PolarHBondContact O-N 2.95Å; F33-K38 WeakPolarHBondContact CA-O 3.49Å; F33-R39 HydrophobicContact CD2-CG 4.38Å
34K94.3Very high94.9Very high150 Ų15085.8 Ų85.865%0.65238%0.381SS*.Hα-helixtrans-66.1-19176.9-172.3173.5174.7175.20114.2R30 Y32 D116R30-K34 WeakPolarHBondContact O-CB 3.49Å; R30-K34 PolarHBondContact O-N 3.13Å; Y32-K34 VanDerWaalsContact C-N 3.32Å; Y32-K34 PolarHBondContact O-N 2.82Å; K34-D116 IonicContact NZ-OD2 2.64Å; K34-D116 PolarHBondContact NZ-OD2 2.88Å
35K95.4Very high94.9Very high157 Ų15785.1 Ų85.168%0.68338%0.377SS*.Hα-helixtrans-100.6-29.9179.8177.6177.4172.3-111.20113.3K31 Y32 F33K31-K35 WeakPolarHBondContact O-CB 3.35Å; K31-K35 PolarHBondContact O-N 2.88Å; Y32-K35 PolarHBondContact O-N 2.95Å; F33-K35 PolarHBondContact O-N 3.16Å
36H95.1Very high94.9Very high88 Ų8889.5 Ų89.541%0.40739%0.393SS..Hα-helixtrans-120.3-2.9-169.9-68.4-86.6000113.8Y32 K38Y32-H36 HydrophobicContact CD1-CB 4.11Å; Y32-H36 HydrophobicContact CE1-CB 3.86Å; Y32-H36 WeakPolarHBondContact O-CB 3.26Å; Y32-H36 PolarHBondContact O-N 3.43Å; H36-K38 PolarHBondContact O-N 3.18Å
37E96.6Very high94.9Very high176 Ų17691.8 Ų91.882%0.82241%0.414SS*.SBendtrans54.17.9-176.4-55.8-166.1125.100115.4F33F33-E37 WeakPolarHBondContact CE2-O 3.4Å; F33-E37 VanDerWaalsContact O-CA 3.24Å; F33-E37 WeakPolarHBondContact O-CA 3.43Å; F33-E37 PolarHBondContact O-N 2.95Å
38K95.6Very high95Very high136 Ų13691.6 Ų91.659%0.59141%0.411SS*.SBendtrans-122149.4-177-169.9-169.8170.4-1740109.3Y32 F33 H36Y32-K38 WeakPolarHBondContact CD1-O 3.49Å; F33-K38 WeakPolarHBondContact CA-O 3.49Å; H36-K38 PolarHBondContact O-N 3.18Å
39R93.3Very high95Very high210 Ų21087.9 Ų87.979%0.79240%0.397SS*.PPolyproline II helixtrans-66.3142.5167.7-67.3-179.7-179.4166.90.5109.9F33F33-R39 HydrophobicContact CD2-CG 4.38Å
40M93.3Very high95.1Very high16 Ų1689.3 Ų89.38%0.07941%0.406CS..PPolyproline II helixtrans-61138.6171.7-169.616158.800109.2L25 K29 Y32 E44 E45 V48L25-M40 HydrophobicContact CD1-CE 4.4Å; K29-M40 HydrophobicContact CB-CE 4.47Å; K29-M40 HydrophobicContact CG-CE 3.64Å; Y32-M40 HydrophobicContact CD1-CB 3.87Å; Y32-M40 HydrophobicContact CD2-CB 4.12Å; Y32-M40 HydrophobicContact CD2-CG 3.89Å; Y32-M40 HydrophobicContact CD2-SD 3.81Å; Y32-M40 HydrophobicContact CE1-CB 4.16Å; Y32-M40 HydrophobicContact CE2-CB 4.37Å; Y32-M40 HydrophobicContact CE2-CG 4.01Å; Y32-M40 HydrophobicContact CE2-SD 4.39Å; Y32-M40 HydrophobicContact CG-CB 3.86Å; Y32-M40 HydrophobicContact CG-CG 4.14Å; Y32-M40 HydrophobicContact CG-SD 4.2Å; M40-E44 HydrophobicContact CG-CB 3.34Å; M40-E44 HydrophobicContact CG-CG 4.39Å; M40-E44 HydrophobicContact SD-CB 4.01Å; M40-E45 HydrophobicContact CB-CG 4.04Å; M40-E45 HydrophobicContact CE-CB 4.29Å; M40-E45 HydrophobicContact CE-CG 3.9Å; M40-E45 HydrophobicContact CG-CG 4Å; M40-V48 HydrophobicContact CE-CB 4.46Å; M40-V48 HydrophobicContact CE-CG2 4.39Å; M40-V48 HydrophobicContact SD-CG2 4.15Å
41S94.1Very high95.3Very high43 Ų4390.8 Ų90.830%0.30142%0.416SS..PPolyproline II helixtrans-69.5158.7178.363.20000111.6E43 E44 E45S41-E43 PolarHBondContact O-N 3.44Å; S41-E43 VanDerWaalsContact O-N 3.11Å; S41-E44 VanDerWaalsContact CB-OE2 3.25Å; S41-E44 WeakPolarHBondContact CB-OE2 3.32Å; S41-E44 PolarHBondContact N-OE2 3.01Å; S41-E44 PolarHBondContact O-N 3.02Å; S41-E44 VanDerWaalsContact OG-CD 3.28Å; S41-E44 VanDerWaalsContact OG-CG 3.28Å; S41-E44 WeakPolarHBondContact OG-CG 3.5Å; S41-E44 PolarHBondContact OG-N 2.87Å; S41-E44 PolarHBondContact OG-OE2 3.26Å; S41-E45 WeakPolarHBondContact O-CB 3.46Å; S41-E45 WeakPolarHBondContact O-CG 3.25Å; S41-E45 PolarHBondContact O-N 3.46Å
42K92.3Very high95.5Very high72 Ų7283.2 Ų83.231%0.31338%0.383SS..Hα-helixtrans-52-34176.1-83.2-89.8-170.6165.60112.1R46 T211 G213 V214K42-R46 VanDerWaalsContact O-CB 3.26Å; K42-R46 WeakPolarHBondContact O-CB 3.48Å; K42-R46 PolarHBondContact O-N 3.03Å; K42-T211 VanDerWaalsContact CE-O 3.26Å; K42-T211 WeakPolarHBondContact CE-O 3.32Å; K42-T211 PolarHBondContact NZ-O 3.15Å; K42-T211 PolarHBondContact NZ-OG1 2.91Å; K42-G213 PolarHBondContact NZ-O 3.09Å; K42-V214 HydrophobicContact CD-CG1 4.12Å; K42-V214 WeakPolarHBondContact O-CG1 3.47Å
43E94Very high95.5Very high111 Ų11183.5 Ų83.552%0.51939%0.388SS..Hα-helixtrans-79.3-42.7-175.7-72.649.6-108.600111.4S41 R46 A47S41-E43 PolarHBondContact O-N 3.44Å; S41-E43 VanDerWaalsContact O-N 3.11Å; E43-R46 PolarHBondContact O-N 2.66Å; E43-R46 IonicContact OE1-CZ 2.77Å; E43-R46 IonicContact OE1-NH1 3.41Å; E43-R46 PolarHBondContact OE1-NH1 2.91Å; E43-R46 IonicContact OE1-NH2 2.82Å; E43-R46 PolarHBondContact OE1-NH2 3.02Å; E43-R46 VanDerWaalsContact OE1-NH2 3.14Å; E43-A47 PolarHBondContact O-N 2.79Å
44E95.8Very high95.5Very high68 Ų6882.8 Ų82.832%0.31840%0.396SS..Hα-helixtrans-64.7-41.6169.8-68163.3120.300111.6Y32 M40 S41 R46 A47 V48Y32-E44 WeakPolarHBondContact CE2-OE1 3.23Å; Y32-E44 VanDerWaalsContact CZ-OE1 3.25Å; Y32-E44 VanDerWaalsContact OH-CD 3.26Å; Y32-E44 PolarHBondContact OH-OE1 3.01Å; Y32-E44 PolarHBondContact OH-OE2 3.38Å; M40-E44 HydrophobicContact CG-CB 3.34Å; M40-E44 HydrophobicContact CG-CG 4.39Å; M40-E44 HydrophobicContact SD-CB 4.01Å; S41-E44 VanDerWaalsContact CB-OE2 3.25Å; S41-E44 WeakPolarHBondContact CB-OE2 3.32Å; S41-E44 PolarHBondContact N-OE2 3.01Å; S41-E44 PolarHBondContact O-N 3.02Å; S41-E44 VanDerWaalsContact OG-CD 3.28Å; S41-E44 VanDerWaalsContact OG-CG 3.28Å; S41-E44 WeakPolarHBondContact OG-CG 3.5Å; S41-E44 PolarHBondContact OG-N 2.87Å; S41-E44 PolarHBondContact OG-OE2 3.26Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 3.42Å; E44-A47 PolarHBondContact O-N 2.76Å; E44-V48 WeakPolarHBondContact O-CB 3.47Å; E44-V48 WeakPolarHBondContact O-CG2 3.26Å; E44-V48 PolarHBondContact O-N 3.46Å
45E96.2Very high95.7Very high13 Ų1378.5 Ų78.56%0.06138%0.378CS..Hα-helixtrans-58.7-41.5174.5-67.2-121.5159.800111K29 M40 S41 K49 V214K29-E45 VanDerWaalsContact CD-OE1 3.27Å; K29-E45 WeakPolarHBondContact CD-OE1 3.41Å; K29-E45 WeakPolarHBondContact CE-OE1 3.42Å; K29-E45 VanDerWaalsContact CG-OE1 3.3Å; K29-E45 WeakPolarHBondContact CG-OE1 3.15Å; K29-E45 IonicContact NZ-OE1 2.71Å; K29-E45 PolarHBondContact NZ-OE1 3.36Å; K29-E45 IonicContact NZ-OE2 3.09Å; K29-E45 PolarHBondContact NZ-OE2 3.35Å; M40-E45 HydrophobicContact CB-CG 4.04Å; M40-E45 HydrophobicContact CE-CB 4.29Å; M40-E45 HydrophobicContact CE-CG 3.9Å; M40-E45 HydrophobicContact CG-CG 4Å; S41-E45 WeakPolarHBondContact O-CB 3.46Å; S41-E45 WeakPolarHBondContact O-CG 3.25Å; S41-E45 PolarHBondContact O-N 3.46Å; E45-K49 WeakPolarHBondContact O-CB 3.32Å; E45-K49 PolarHBondContact O-N 3.14Å; E45-V214 HydrophobicContact CB-CB 4.31Å; E45-V214 HydrophobicContact CB-CG1 3.4Å; E45-V214 HydrophobicContact CB-CG2 4.03Å; E45-V214 HydrophobicContact CG-CG1 4.4Å
46R95.9Very high95.7Very high94 Ų9477.8 Ų77.836%0.35538%0.375SS..Hα-helixtrans-69.9-46.2178.7-168.1-175.8-60.697.9-4.5111.5K42 E43 E44 V48 K49 D50 V214K42-R46 VanDerWaalsContact O-CB 3.26Å; K42-R46 WeakPolarHBondContact O-CB 3.48Å; K42-R46 PolarHBondContact O-N 3.03Å; E43-R46 PolarHBondContact O-N 2.66Å; E43-R46 IonicContact OE1-CZ 2.77Å; E43-R46 IonicContact OE1-NH1 3.41Å; E43-R46 PolarHBondContact OE1-NH1 2.91Å; E43-R46 IonicContact OE1-NH2 2.82Å; E43-R46 PolarHBondContact OE1-NH2 3.02Å; E43-R46 VanDerWaalsContact OE1-NH2 3.14Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 3.42Å; R46-V48 VanDerWaalsContact C-N 3.28Å; R46-V48 PolarHBondContact O-N 2.91Å; R46-K49 WeakPolarHBondContact O-CA 3.43Å; R46-K49 VanDerWaalsContact O-CB 3.23Å; R46-K49 WeakPolarHBondContact O-CB 3.31Å; R46-K49 PolarHBondContact O-N 3.44Å; R46-D50 VanDerWaalsContact O-CG 3.26Å; R46-D50 PolarHBondContact O-N 2.96Å; R46-V214 HydrophobicContact CB-CB 4.45Å; R46-V214 HydrophobicContact CB-CG1 4.34Å
47A97.1Very high95.7Very high61 Ų6177 Ų7750%0.50438%0.378SS..Hα-helixtrans-57-41.9174.200000112E43 E44 D50 E51E43-A47 PolarHBondContact O-N 2.79Å; E44-A47 PolarHBondContact O-N 2.76Å; A47-D50 PolarHBondContact O-N 2.79Å; A47-E51 WeakPolarHBondContact O-CB 3.35Å; A47-E51 PolarHBondContact O-N 3.13Å
48V97.7Very high95.6Very high18 Ų1874.2 Ų74.211%0.10937%0.365CS..Hα-helixtrans-67.8-36.2174.3170.60000112.4L25 R28 M40 E44 R46 L52L25-V48 HydrophobicContact CD1-CB 4.22Å; L25-V48 HydrophobicContact CD1-CG1 3.69Å; R28-V48 HydrophobicContact CB-CG1 3.9Å; R28-V48 HydrophobicContact CG-CG1 3.88Å; M40-V48 HydrophobicContact CE-CB 4.46Å; M40-V48 HydrophobicContact CE-CG2 4.39Å; M40-V48 HydrophobicContact SD-CG2 4.15Å; E44-V48 WeakPolarHBondContact O-CB 3.47Å; E44-V48 WeakPolarHBondContact O-CG2 3.26Å; E44-V48 PolarHBondContact O-N 3.46Å; R46-V48 VanDerWaalsContact C-N 3.28Å; R46-V48 PolarHBondContact O-N 2.91Å; V48-L52 HydrophobicContact CG1-CD1 3.77Å; V48-L52 HydrophobicContact CG1-CG 4.42Å; V48-L52 WeakPolarHBondContact O-CB 3.38Å; V48-L52 WeakPolarHBondContact O-CD1 3.31Å; V48-L52 WeakPolarHBondContact O-CG 3.41Å; V48-L52 PolarHBondContact O-N 3.02Å; V48-L52 VanDerWaalsContact O-N 3.11Å
49K96.8Very high95.7Very high6 Ų670.6 Ų70.63%0.02635%0.354CS..Hα-helixtrans-57.4-50.3172.5-174.3-164.276.1175.60110.2E45 R46 L52 L53 V214 F215 E219E45-K49 WeakPolarHBondContact O-CB 3.32Å; E45-K49 PolarHBondContact O-N 3.14Å; R46-K49 WeakPolarHBondContact O-CA 3.43Å; R46-K49 VanDerWaalsContact O-CB 3.23Å; R46-K49 WeakPolarHBondContact O-CB 3.31Å; R46-K49 PolarHBondContact O-N 3.44Å; K49-L52 CarbonylContact O-C 3.58Å; K49-L52 PolarHBondContact O-N 2.71Å; K49-L53 HydrophobicContact CD-CD1 4.31Å; K49-L53 HydrophobicContact CG-CD1 3.94Å; K49-L53 HydrophobicContact CG-CG 4.49Å; K49-L53 WeakPolarHBondContact O-CB 3.27Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.11Å; K49-V214 HydrophobicContact CB-CG2 4.08Å; K49-V214 HydrophobicContact CD-CB 4.45Å; K49-V214 HydrophobicContact CD-CG2 4.12Å; K49-V214 WeakPolarHBondContact CD-O 3.25Å; K49-V214 HydrophobicContact CG-CG2 4.4Å; K49-V214 PolarHBondContact NZ-O 2.95Å; K49-F215 HydrophobicContact CD-CD1 3.74Å; K49-F215 HydrophobicContact CD-CD2 4.14Å; K49-F215 HydrophobicContact CD-CE1 3.74Å; K49-F215 HydrophobicContact CD-CE2 4.14Å; K49-F215 HydrophobicContact CD-CG 3.95Å; K49-F215 HydrophobicContact CD-CZ 3.94Å; K49-F215 HydrophobicContact CG-CD1 4.3Å; K49-F215 HydrophobicContact CG-CE1 3.76Å; K49-F215 HydrophobicContact CG-CE2 3.99Å; K49-F215 HydrophobicContact CG-CZ 3.59Å; K49-E219 IonicContact NZ-OE1 3.4Å; K49-E219 PolarHBondContact NZ-OE1 2.93Å; K49-E219 IonicContact NZ-OE2 2.71Å; K49-E219 PolarHBondContact NZ-OE2 3.22Å
50D96.7Very high95.8Very high71 Ų7161.9 Ų61.938%0.3832%0.322SS..Hα-helixtrans-73.9-35.1-171.1-59.7-28.6000112.1R46 A47 L53 S54R46-D50 VanDerWaalsContact O-CG 3.26Å; R46-D50 PolarHBondContact O-N 2.96Å; A47-D50 PolarHBondContact O-N 2.79Å; D50-L53 PolarHBondContact O-N 2.82Å; D50-S54 WeakPolarHBondContact O-CB 3.49Å; D50-S54 PolarHBondContact O-N 2.94Å; D50-S54 PolarHBondContact O-OG 2.88Å
51E97.8Very high96Very high99 Ų9963 Ų6346%0.46333%0.327SS..Hα-helixtrans-59.6-46.5167.2-167.3-159.4136.400111.5R28 A47 L53 S54 E55R28-E51 IonicContact CZ-OE1 2.67Å; R28-E51 IonicContact CZ-OE2 2.81Å; R28-E51 VanDerWaalsContact NH1-CD 3.28Å; R28-E51 IonicContact NH1-OE1 3.14Å; R28-E51 PolarHBondContact NH1-OE1 3.13Å; R28-E51 IonicContact NH1-OE2 2.63Å; R28-E51 PolarHBondContact NH1-OE2 3.34Å; R28-E51 IonicContact NH2-OE1 2.68Å; R28-E51 PolarHBondContact NH2-OE1 3.37Å; R28-E51 IonicContact NH2-OE2 3.78Å; A47-E51 WeakPolarHBondContact O-CB 3.35Å; A47-E51 PolarHBondContact O-N 3.13Å; E51-L53 VanDerWaalsContact C-N 3.29Å; E51-L53 PolarHBondContact O-N 3.4Å; E51-S54 WeakPolarHBondContact CA-OG 3.31Å; E51-S54 PolarHBondContact O-N 3.22Å; E51-S54 PolarHBondContact O-OG 3.43Å; E51-S54 VanDerWaalsContact O-OG 3.1Å; E51-E55 PolarHBondContact O-N 2.93Å
52L97.2Very high96.1Very high2 Ų267 Ų671%0.0134%0.339CS..Hα-helixtrans-75-15.9179.8-68.5172.4000113.7Y20 T21 N24 L25 V48 K49 K60Y20-L52 HydrophobicContact CE1-CD2 4.02Å; T21-L52 HydrophobicContact CG2-CB 3.79Å; T21-L52 PolarHBondContact OG1-O 3.24Å; N24-L52 HydrophobicContact CB-CD1 3.66Å; N24-L52 HydrophobicContact CB-CD2 3.65Å; N24-L52 HydrophobicContact CB-CG 4.29Å; L25-L52 HydrophobicContact CB-CD1 4.05Å; V48-L52 HydrophobicContact CG1-CD1 3.77Å; V48-L52 HydrophobicContact CG1-CG 4.42Å; V48-L52 WeakPolarHBondContact O-CB 3.38Å; V48-L52 WeakPolarHBondContact O-CD1 3.31Å; V48-L52 WeakPolarHBondContact O-CG 3.41Å; V48-L52 PolarHBondContact O-N 3.02Å; V48-L52 VanDerWaalsContact O-N 3.11Å; K49-L52 CarbonylContact O-C 3.58Å; K49-L52 PolarHBondContact O-N 2.71Å; L52-K60 WeakPolarHBondContact O-CE 3.35Å
53L95.4Very high96.3Very high53 Ų5364.7 Ų64.728%0.27733%0.329SS..Hα-helixtrans-84.2-37.3169.5-74.8172.8000111.5T21 K49 D50 E51 K60 F215 V223T21-L53 HydrophobicContact CG2-CD2 3.9Å; T21-L53 HydrophobicContact CG2-CG 3.92Å; K49-L53 HydrophobicContact CD-CD1 4.31Å; K49-L53 HydrophobicContact CG-CD1 3.94Å; K49-L53 HydrophobicContact CG-CG 4.49Å; K49-L53 WeakPolarHBondContact O-CB 3.27Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.11Å; D50-L53 PolarHBondContact O-N 2.82Å; E51-L53 VanDerWaalsContact C-N 3.29Å; E51-L53 PolarHBondContact O-N 3.4Å; L53-K60 PolarHBondContact O-NZ 2.7Å; L53-F215 HydrophobicContact CD1-CE1 4.3Å; L53-V223 HydrophobicContact CD2-CG1 4.12Å
54S95.8Very high96.5Very high94 Ų9459.5 Ų59.566%0.65730%0.304SS*.Hα-helixtrans-79.3-16.6177.252.30000114.4D50 E51D50-S54 WeakPolarHBondContact O-CB 3.49Å; D50-S54 PolarHBondContact O-N 2.94Å; D50-S54 PolarHBondContact O-OG 2.88Å; E51-S54 WeakPolarHBondContact CA-OG 3.31Å; E51-S54 PolarHBondContact O-N 3.22Å; E51-S54 PolarHBondContact O-OG 3.43Å; E51-S54 VanDerWaalsContact O-OG 3.1Å
55E97Very high96.6Very high60 Ų6056.9 Ų56.928%0.2829%0.294SS..SBendtrans-45.1141.9172.8173.269.1-7900113.5Y20 E51 V59 K60Y20-E55 HydrophobicContact CE1-CB 4.11Å; Y20-E55 HydrophobicContact CE1-CG 3.65Å; Y20-E55 PolarHBondContact OH-OE2 3.49Å; Y20-E55 VanDerWaalsContact OH-OE2 3.12Å; E51-E55 PolarHBondContact O-N 2.93Å; E55-V59 HydrophobicContact CG-CB 4.12Å; E55-V59 HydrophobicContact CG-CG1 4.13Å; E55-K60 HydrophobicContact CG-CG 4.26Å; E55-K60 WeakPolarHBondContact O-CE 3.37Å; E55-K60 PolarHBondContact O-NZ 2.96Å
56K96.1Very high96.6Very high142 Ų14263.7 Ų63.762%0.61732%0.319SS*.  trans-64.6141.3-169.5-65.5-172.6172.2-176.20113E58 V59 K60K56-E58 VanDerWaalsContact C-N 3.25Å; K56-E58 WeakPolarHBondContact CB-OE2 3.44Å; K56-E58 PolarHBondContact O-N 3.04Å; K56-V59 HydrophobicContact CB-CG2 4.15Å; K56-V59 WeakPolarHBondContact O-CB 3.48Å; K56-V59 PolarHBondContact O-N 3.04Å; K56-K60 PolarHBondContact O-N 2.69Å; K56-K60 VanDerWaalsContact O-N 3.16Å
57P94.7Very high96.7Very high71 Ų7159.3 Ų59.346%0.46130%0.302SS..Hα-helixtrans-61.8-32-176.924.5-31.9000112.5V59 K60 Q61P57-V59 VanDerWaalsContact C-N 3.32Å; P57-V59 PolarHBondContact O-N 3.31Å; P57-K60 WeakPolarHBondContact O-CB 3.48Å; P57-K60 PolarHBondContact O-N 3.03Å; P57-Q61 WeakPolarHBondContact O-CB 3.28Å; P57-Q61 VanDerWaalsContact O-CG 3.32Å; P57-Q61 WeakPolarHBondContact O-CG 3.25Å; P57-Q61 PolarHBondContact O-N 3.32Å
58E95.7Very high96.7Very high119 Ų11956.4 Ų56.456%0.55628%0.278SS*.Hα-helixtrans-66.3-35176.9-52.672.8-157.800111.5K56 K62K56-E58 VanDerWaalsContact C-N 3.25Å; K56-E58 WeakPolarHBondContact CB-OE2 3.44Å; K56-E58 PolarHBondContact O-N 3.04Å; E58-K62 WeakPolarHBondContact O-CB 3.47Å; E58-K62 PolarHBondContact O-N 2.99Å
59V96.5Very high96.7Very high59 Ų5957.2 Ų57.236%0.35829%0.287SS..Hα-helixtrans-69.3-43.9176.3179.80000110.1Y20 E55 K56 P57 K62 W63Y20-V59 HydrophobicContact CE2-CG1 4.48Å; E55-V59 HydrophobicContact CG-CB 4.12Å; E55-V59 HydrophobicContact CG-CG1 4.13Å; K56-V59 HydrophobicContact CB-CG2 4.15Å; K56-V59 WeakPolarHBondContact O-CB 3.48Å; K56-V59 PolarHBondContact O-N 3.04Å; P57-V59 VanDerWaalsContact C-N 3.32Å; P57-V59 PolarHBondContact O-N 3.31Å; V59-K62 PolarHBondContact O-N 2.89Å; V59-W63 WeakPolarHBondContact O-CB 3.34Å; V59-W63 PolarHBondContact O-N 3.39Å
60K96.5Very high96.7Very high28 Ų2860 Ų6012%0.12230%0.299CS..Hα-helixtrans-59.5-50.6174.7-70.1172.2174.2153.30111.5Y20 L52 L53 E55 K56 P57 W63 A64 I228Y20-K60 HydrophobicContact CD1-CD 4.45Å; Y20-K60 HydrophobicContact CD1-CG 3.72Å; Y20-K60 HydrophobicContact CD2-CB 4.45Å; Y20-K60 HydrophobicContact CD2-CG 4.15Å; Y20-K60 HydrophobicContact CE1-CG 4.15Å; Y20-K60 HydrophobicContact CG-CB 4.33Å; Y20-K60 HydrophobicContact CG-CG 3.74Å; L52-K60 WeakPolarHBondContact O-CE 3.35Å; L53-K60 PolarHBondContact O-NZ 2.7Å; E55-K60 HydrophobicContact CG-CG 4.26Å; E55-K60 WeakPolarHBondContact O-CE 3.37Å; E55-K60 PolarHBondContact O-NZ 2.96Å; K56-K60 PolarHBondContact O-N 2.69Å; K56-K60 VanDerWaalsContact O-N 3.16Å; P57-K60 WeakPolarHBondContact O-CB 3.48Å; P57-K60 PolarHBondContact O-N 3.03Å; K60-W63 WeakPolarHBondContact O-CB 3.08Å; K60-W63 PolarHBondContact O-N 3.34Å; K60-A64 PolarHBondContact O-N 2.77Å; K60-I228 VanDerWaalsContact C-CD1 3.48Å; K60-I228 HydrophobicContact CB-CD1 3.87Å; K60-I228 HydrophobicContact CB-CG1 3.87Å; K60-I228 VanDerWaalsContact O-CD1 3.23Å; K60-I228 WeakPolarHBondContact O-CD1 3.27Å
61Q96.6Very high96.8Very high39 Ų3956.7 Ų56.718%0.18228%0.281CS..Hα-helixtrans-63.1-45176.5-71.4177.31400112.1L12 P57 W63 A64 S65 I228L12-Q61 HydrophobicContact CD2-CB 4.44Å; P57-Q61 WeakPolarHBondContact O-CB 3.28Å; P57-Q61 VanDerWaalsContact O-CG 3.32Å; P57-Q61 WeakPolarHBondContact O-CG 3.25Å; P57-Q61 PolarHBondContact O-N 3.32Å; Q61-W63 VanDerWaalsContact C-N 3.25Å; Q61-W63 PolarHBondContact O-N 3.1Å; Q61-A64 PolarHBondContact O-N 3.04Å; Q61-S65 PolarHBondContact O-N 3.44Å; Q61-S65 PolarHBondContact O-OG 3Å; Q61-I228 HydrophobicContact CG-CG1 4.39Å; Q61-I228 VanDerWaalsContact CG-O 3.25Å; Q61-I228 WeakPolarHBondContact CG-O 3.37Å; Q61-I228 PolarHBondContact NE2-O 2.82Å
62K95.9Very high96.8Very high128 Ų12855.4 Ų55.456%0.55727%0.272SS*.Hα-helixtrans-61.6-32.5176.8-170.4170.2-168.4166.30112.2E58 V59 R66E58-K62 WeakPolarHBondContact O-CB 3.47Å; E58-K62 PolarHBondContact O-N 2.99Å; V59-K62 PolarHBondContact O-N 2.89Å; K62-R66 WeakPolarHBondContact O-CB 3.48Å; K62-R66 VanDerWaalsContact O-CD 3.24Å; K62-R66 WeakPolarHBondContact O-CD 3.34Å; K62-R66 WeakPolarHBondContact O-CG 2.75Å; K62-R66 PolarHBondContact O-N 2.94Å
63W97.4Very high96.8Very high23 Ų2362.6 Ų62.69%0.08730%0.303CS..Hα-helixtrans-67.3-50.1168.3164.982000112.1A19 Y20 F23 V59 K60 Q61 S65 R66 L67 C111 L128 I228A19-W63 HydrophobicContact CB-CH2 3.92Å; A19-W63 HydrophobicContact CB-CZ3 4.27Å; Y20-W63 HydrophobicContact CD2-CB 3.77Å; Y20-W63 AromaticContact CD2-CD2 3.68Å; Y20-W63 HydrophobicContact CD2-CD2 3.68Å; Y20-W63 AromaticContact CD2-CE3 3.74Å; Y20-W63 HydrophobicContact CD2-CE3 3.74Å; Y20-W63 AromaticContact CD2-CG 3.68Å; Y20-W63 HydrophobicContact CD2-CG 3.68Å; Y20-W63 HydrophobicContact CE2-CB 3.89Å; Y20-W63 HydrophobicContact CE2-CG 4.07Å; Y20-W63 HydrophobicContact CG-CE3 4.27Å; F23-W63 HydrophobicContact CB-CZ2 4.49Å; F23-W63 AromaticContact CD2-CH2 3.75Å; F23-W63 HydrophobicContact CD2-CH2 3.75Å; F23-W63 AromaticContact CD2-CZ2 3.52Å; F23-W63 HydrophobicContact CD2-CZ2 3.52Å; F23-W63 HydrophobicContact CE2-CH2 4.21Å; F23-W63 HydrophobicContact CE2-CZ2 4.18Å; F23-W63 HydrophobicContact CG-CZ2 4.39Å; V59-W63 WeakPolarHBondContact O-CB 3.34Å; V59-W63 PolarHBondContact O-N 3.39Å; K60-W63 WeakPolarHBondContact O-CB 3.08Å; K60-W63 PolarHBondContact O-N 3.34Å; Q61-W63 VanDerWaalsContact C-N 3.25Å; Q61-W63 PolarHBondContact O-N 3.1Å; W63-S65 PolarHBondContact O-N 3.45Å; W63-R66 CarbonylContact O-C 3.42Å; W63-R66 WeakPolarHBondContact O-CB 3.19Å; W63-R66 PolarHBondContact O-N 3.23Å; W63-L67 HydrophobicContact CH2-CD2 3.87Å; W63-L67 HydrophobicContact CZ2-CD2 3.37Å; W63-L67 PolarHBondContact O-N 3.09Å; W63-C111 PolarHBondContact NE1-O 2.86Å; W63-L128 HydrophobicContact CH2-CD2 3.8Å; W63-L128 HydrophobicContact CZ3-CD2 4.34Å; W63-I228 HydrophobicContact CE3-CD1 4.12Å; W63-I228 HydrophobicContact CZ3-CD1 4.19Å
64A97.8Very high96.9Very high1 Ų161.1 Ų61.11%0.00830%0.296CS..Hα-helixtrans-63.1-44.4-178.200000112.2L12 V15 K60 Q61 R66 L67 L68 I228L12-A64 HydrophobicContact CD1-CB 3.67Å; V15-A64 HydrophobicContact CG1-CB 4.1Å; K60-A64 PolarHBondContact O-N 2.77Å; Q61-A64 PolarHBondContact O-N 3.04Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 3.42Å; A64-L67 CarbonylContact O-C 3.6Å; A64-L67 WeakPolarHBondContact O-CA 3.48Å; A64-L67 PolarHBondContact O-N 3.36Å; A64-L68 WeakPolarHBondContact O-CB 3.21Å; A64-L68 WeakPolarHBondContact O-CG 3.47Å; A64-L68 PolarHBondContact O-N 3.24Å; A64-I228 HydrophobicContact CB-CD1 3.64Å; A64-I228 HydrophobicContact CB-CG2 4.27Å
65S97.1Very high97Very high14 Ų1456.8 Ų56.810%0.09827%0.265CS..Hα-helixtrans-58.9-39.5174.4-63.10000112.1Q61 W63 L67 A69Q61-S65 PolarHBondContact O-N 3.44Å; Q61-S65 PolarHBondContact O-OG 3Å; W63-S65 PolarHBondContact O-N 3.45Å; S65-L67 VanDerWaalsContact C-N 3.34Å; S65-L67 PolarHBondContact O-N 3.3Å; S65-A69 VanDerWaalsContact O-CB 3.28Å; S65-A69 WeakPolarHBondContact O-CB 3.1Å; S65-A69 PolarHBondContact O-N 2.81Å
66R96.7Very high97.1Very high156 Ų15657.8 Ų57.859%0.58927%0.266SS*.Hα-helixtrans-67-31172.5-75.2169.4170.5178.8-7.4112.9K62 W63 A64 K70K62-R66 WeakPolarHBondContact O-CB 3.48Å; K62-R66 VanDerWaalsContact O-CD 3.24Å; K62-R66 WeakPolarHBondContact O-CD 3.34Å; K62-R66 WeakPolarHBondContact O-CG 2.75Å; K62-R66 PolarHBondContact O-N 2.94Å; W63-R66 CarbonylContact O-C 3.42Å; W63-R66 WeakPolarHBondContact O-CB 3.19Å; W63-R66 PolarHBondContact O-N 3.23Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 3.42Å; R66-K70 WeakPolarHBondContact O-CE 3.46Å
67L98Very high97.2Very high1 Ų154.6 Ų54.61%0.00526%0.26CS..Hα-helixtrans-76.8-45.9176-175.250.6000111.7W63 A64 S65 A69 K70 L71 I109 C111 V124 L128W63-L67 HydrophobicContact CH2-CD2 3.87Å; W63-L67 HydrophobicContact CZ2-CD2 3.37Å; W63-L67 PolarHBondContact O-N 3.09Å; A64-L67 CarbonylContact O-C 3.6Å; A64-L67 WeakPolarHBondContact O-CA 3.48Å; A64-L67 PolarHBondContact O-N 3.36Å; S65-L67 VanDerWaalsContact C-N 3.34Å; S65-L67 PolarHBondContact O-N 3.3Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 2.72Å; L67-K70 WeakPolarHBondContact O-CB 3.35Å; L67-K70 PolarHBondContact O-N 3.03Å; L67-L71 WeakPolarHBondContact O-CB 3.32Å; L67-L71 PolarHBondContact O-N 3.18Å; L67-I109 HydrophobicContact CD1-CD1 4.07Å; L67-C111 HydrophobicContact CD2-CB 4.39Å; L67-V124 HydrophobicContact CD2-CG1 4.4Å; L67-L128 HydrophobicContact CD2-CD1 4.14Å; L67-L128 HydrophobicContact CD2-CD2 4.01Å; L67-L128 HydrophobicContact CG-CD1 4.39Å
68L98.2Very high97.4Very high1 Ų156.3 Ų56.31%0.00526%0.262CS..Hα-helixtrans-57.1-39172-69.1171.7000111.8I8 L11 L12 V15 A64 K70 L71 R72 F129I8-L68 HydrophobicContact CG1-CB 4.21Å; I8-L68 HydrophobicContact CG2-CB 4.15Å; I8-L68 HydrophobicContact CG2-CD1 4.09Å; L11-L68 HydrophobicContact CB-CD1 4.03Å; L11-L68 HydrophobicContact CB-CD2 3.99Å; L11-L68 HydrophobicContact CD1-CD2 4.19Å; L12-L68 HydrophobicContact CB-CD1 4.3Å; L12-L68 HydrophobicContact CD1-CD1 4.38Å; V15-L68 HydrophobicContact CG2-CD1 4.1Å; V15-L68 HydrophobicContact CG2-CD2 4.1Å; V15-L68 HydrophobicContact CG2-CG 4.32Å; A64-L68 WeakPolarHBondContact O-CB 3.21Å; A64-L68 WeakPolarHBondContact O-CG 3.47Å; A64-L68 PolarHBondContact O-N 3.24Å; L68-K70 VanDerWaalsContact C-N 3.29Å; L68-K70 PolarHBondContact O-N 3.27Å; L68-L71 HydrophobicContact CD2-CD2 4.11Å; L68-L71 PolarHBondContact O-N 3.02Å; L68-R72 WeakPolarHBondContact O-CB 3.34Å; L68-R72 PolarHBondContact O-N 3.33Å; L68-F129 HydrophobicContact CD2-CZ 4.11Å
69A97.3Very high97.5Very high35 Ų3553.5 Ų53.529%0.28925%0.247SC..Hα-helixtrans-62-31.6174.600000113.9I8 S65 L67I8-A69 HydrophobicContact CD1-CB 3.76Å; S65-A69 VanDerWaalsContact O-CB 3.28Å; S65-A69 WeakPolarHBondContact O-CB 3.1Å; S65-A69 PolarHBondContact O-N 2.81Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 2.72Å
70K96.7Very high97.6Very high65 Ų6552.9 Ų52.928%0.28324%0.238SC..Hα-helixtrans-79.3-46.9172.3-66.2172.9-69.9-179.70110.5R66 L67 L68 R72 K73 D74 I109 D110R66-K70 WeakPolarHBondContact O-CE 3.46Å; L67-K70 WeakPolarHBondContact O-CB 3.35Å; L67-K70 PolarHBondContact O-N 3.03Å; L68-K70 VanDerWaalsContact C-N 3.29Å; L68-K70 PolarHBondContact O-N 3.27Å; K70-R72 PolarHBondContact O-N 3.26Å; K70-K73 WeakPolarHBondContact O-CA 3.4Å; K70-K73 WeakPolarHBondContact O-CB 3.23Å; K70-K73 PolarHBondContact O-N 3.35Å; K70-D74 PolarHBondContact O-N 3.27Å; K70-D74 VanDerWaalsContact O-N 3.11Å; K70-I109 HydrophobicContact CB-CD1 3.79Å; K70-I109 HydrophobicContact CB-CG1 4.37Å; K70-D110 PolarHBondContact NZ-O 3.19Å
71L97.9Very high97.6Very high0 Ų058.2 Ų58.20%026%0.263CS..Hα-helixtrans-53.9-40.2178-162.969.6000112.2L67 L68 K73 D74 I75 F83 I109 L121 M125 L128 F129L67-L71 WeakPolarHBondContact O-CB 3.32Å; L67-L71 PolarHBondContact O-N 3.18Å; L68-L71 HydrophobicContact CD2-CD2 4.11Å; L68-L71 PolarHBondContact O-N 3.02Å; L71-K73 VanDerWaalsContact C-N 3.28Å; L71-K73 PolarHBondContact O-N 2.83Å; L71-D74 PolarHBondContact O-N 3.43Å; L71-D74 VanDerWaalsContact O-N 3.17Å; L71-I75 HydrophobicContact CG-CD1 4.37Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 3.11Å; L71-F83 HydrophobicContact CD2-CE1 4.29Å; L71-F83 HydrophobicContact CD2-CZ 4.38Å; L71-I109 HydrophobicContact CD1-CD1 4.33Å; L71-L121 HydrophobicContact CD1-CD2 3.82Å; L71-M125 HydrophobicContact CD1-CE 3.71Å; L71-M125 HydrophobicContact CD1-SD 4.17Å; L71-M125 HydrophobicContact CD2-CE 3.87Å; L71-M125 HydrophobicContact CD2-SD 3.89Å; L71-M125 HydrophobicContact CG-CE 3.9Å; L71-M125 HydrophobicContact CG-SD 4.46Å; L71-L128 HydrophobicContact CD2-CD1 4.3Å; L71-F129 HydrophobicContact CD2-CE2 4.33Å
72R98Very high97.7Very high73 Ų7358 Ų5828%0.27526%0.263SS..Hα-helixtrans-56.6-38.7172.3-171.8-178.4170.4-95.14.6112.7H5 F7 L68 K70 I75 R80H5-R72 PolarHBondContact CE1-NE 3.39Å; H5-R72 PolarHBondContact NE2-NE 3.34Å; H5-R72 VanDerWaalsContact NE2-NE 3.15Å; H5-R72 PolarHBondContact NE2-NH2 2.91Å; F7-R72 HydrophobicContact CD1-CB 3.69Å; F7-R72 HydrophobicContact CD1-CG 3.82Å; F7-R72 HydrophobicContact CD2-CG 4.34Å; F7-R72 HydrophobicContact CE1-CB 3.54Å; F7-R72 HydrophobicContact CE1-CG 4.03Å; F7-R72 HydrophobicContact CG-CB 4.38Å; F7-R72 HydrophobicContact CG-CG 4Å; F7-R72 HydrophobicContact CZ-CB 4.1Å; F7-R72 HydrophobicContact CZ-CG 4.37Å; L68-R72 WeakPolarHBondContact O-CB 3.34Å; L68-R72 PolarHBondContact O-N 3.33Å; K70-R72 PolarHBondContact O-N 3.26Å; R72-I75 VanDerWaalsContact O-O 3.1Å; R72-R80 VanDerWaalsContact O-CZ 3.23Å; R72-R80 PolarHBondContact O-NE 2.59Å; R72-R80 PolarHBondContact O-NH2 2.67Å
73K97.1Very high97.8Very high153 Ų15351.9 Ų51.967%0.66524%0.237SC*.Hα-helixtrans-75.1-31.1178.9-62-179.6-178.6-171.90111.9K70 L71 N99K70-K73 WeakPolarHBondContact O-CA 3.4Å; K70-K73 WeakPolarHBondContact O-CB 3.23Å; K70-K73 PolarHBondContact O-N 3.35Å; L71-K73 VanDerWaalsContact C-N 3.28Å; L71-K73 PolarHBondContact O-N 2.83Å; K73-N99 PolarHBondContact O-ND2 3.46Å
74D97.9Very high97.9Very high22 Ų2251.9 Ų51.912%0.11824%0.239CC..Hα-helixtrans-79-20.6174.1-76.6-61.2000113.7K70 L71 S98 N99 R107 I109 L121K70-D74 PolarHBondContact O-N 3.27Å; K70-D74 VanDerWaalsContact O-N 3.11Å; L71-D74 PolarHBondContact O-N 3.43Å; L71-D74 VanDerWaalsContact O-N 3.17Å; D74-S98 CarbonylContact O-C 3.48Å; D74-S98 VanDerWaalsContact O-CA 3.26Å; D74-S98 WeakPolarHBondContact O-CA 3.3Å; D74-S98 WeakPolarHBondContact O-CB 3.2Å; D74-N99 PolarHBondContact O-N 3.39Å; D74-N99 PolarHBondContact O-ND2 3.43Å; D74-R107 VanDerWaalsContact OD1-CD 3.27Å; D74-R107 WeakPolarHBondContact OD1-CD 3.35Å; D74-I109 WeakPolarHBondContact OD2-CD1 3.35Å; D74-L121 HydrophobicContact CB-CD1 4.07Å; D74-L121 HydrophobicContact CB-CD2 4.03Å
75I98.5Very high97.9Very high2 Ų254.2 Ų54.21%0.0125%0.251CS..BIsolated β-bridgetrans-82.6135.1169.3-64.8169000110.5F7 L71 R72 R80 F83 V96 M125 V155F7-I75 HydrophobicContact CE2-CD1 4.46Å; F7-I75 HydrophobicContact CZ-CD1 3.99Å; L71-I75 HydrophobicContact CG-CD1 4.37Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 3.11Å; R72-I75 VanDerWaalsContact O-O 3.1Å; I75-R80 HydrophobicContact CB-CG 4.35Å; I75-R80 HydrophobicContact CG2-CG 3.85Å; I75-R80 PolarHBondContact O-NE 3.31Å; I75-R80 PolarHBondContact O-NH2 3.23Å; I75-F83 HydrophobicContact CD1-CB 4.45Å; I75-F83 HydrophobicContact CD1-CD1 3.64Å; I75-F83 HydrophobicContact CD1-CD2 4.29Å; I75-F83 HydrophobicContact CD1-CE1 3.84Å; I75-F83 HydrophobicContact CD1-CE2 4.45Å; I75-F83 HydrophobicContact CD1-CG 3.88Å; I75-F83 HydrophobicContact CD1-CZ 4.25Å; I75-V96 HydrophobicContact CD1-CG1 4.38Å; I75-V96 HydrophobicContact CG1-CG1 4.5Å; I75-V96 HydrophobicContact CG2-CG1 3.93Å; I75-M125 HydrophobicContact CD1-CE 3.98Å; I75-M125 HydrophobicContact CG1-CE 4.46Å; I75-V155 HydrophobicContact CG1-CG2 4.2Å
76R98.4Very high97.9Very high82 Ų8253.7 Ų53.731%0.30925%0.247SC..  trans-58.9132173.9-85.2173.863.3172.50.3110.6E78 Y79 L97 N99R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 IonicContact CZ-OE1 3.95Å; R76-E78 IonicContact NE-OE1 2.82Å; R76-E78 PolarHBondContact NE-OE1 3.22Å; R76-E78 IonicContact NH2-OE1 2.81Å; R76-E78 PolarHBondContact NH2-OE1 2.85Å; R76-E78 PolarHBondContact O-N 3.12Å; R76-E78 VanDerWaalsContact O-N 3.14Å; R76-Y79 HydrophobicContact CB-CD2 3.75Å; R76-Y79 HydrophobicContact CB-CE2 4.41Å; R76-Y79 PolarHBondContact O-N 3.08Å; R76-L97 PolarHBondContact N-O 3.23Å; R76-L97 VanDerWaalsContact N-O 3.11Å; R76-N99 WeakPolarHBondContact CG-OD1 3.28Å
77P98.2Very high98Very high75 Ų7547 Ų4749%0.48722%0.224SC..G310 helixtrans-44.6-48.3-171.7-29.433.3000115.9Y79 R80P77-Y79 VanDerWaalsContact C-N 3.26Å; P77-Y79 PolarHBondContact O-N 3.42Å; P77-R80 WeakPolarHBondContact O-CB 3.04Å; P77-R80 WeakPolarHBondContact O-CG 3.49Å; P77-R80 PolarHBondContact O-N 3.35Å; P77-R80 VanDerWaalsContact O-N 3.16Å
78E98.1Very high97.9Very high107 Ų10748.5 Ų48.550%0.523%0.233SC..G310 helixtrans-67.4-17.6-176.765.9-83.7-154.800114.3R76R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 IonicContact CZ-OE1 3.95Å; R76-E78 IonicContact NE-OE1 2.82Å; R76-E78 PolarHBondContact NE-OE1 3.22Å; R76-E78 IonicContact NH2-OE1 2.81Å; R76-E78 PolarHBondContact NH2-OE1 2.85Å; R76-E78 PolarHBondContact O-N 3.12Å; R76-E78 VanDerWaalsContact O-N 3.14Å
79Y98.4Very high97.8Very high59 Ų5951.5 Ų51.523%0.23127%0.265CS..G310 helixtrans-99.60.1175-64.3-84.1000113.4R76 P77 F83 C95 L97R76-Y79 HydrophobicContact CB-CD2 3.75Å; R76-Y79 HydrophobicContact CB-CE2 4.41Å; R76-Y79 PolarHBondContact O-N 3.08Å; P77-Y79 VanDerWaalsContact C-N 3.26Å; P77-Y79 PolarHBondContact O-N 3.42Å; Y79-F83 WeakPolarHBondContact O-CB 3.31Å; Y79-F83 PolarHBondContact O-N 2.82Å; Y79-C95 WeakPolarHBondContact CD1-O 3.42Å; Y79-C95 WeakPolarHBondContact CE1-O 3.23Å; Y79-L97 HydrophobicContact CD2-CB 3.97Å; Y79-L97 HydrophobicContact CD2-CG 4.3Å; Y79-L97 HydrophobicContact CE1-CD1 4.49Å; Y79-L97 HydrophobicContact CE1-CG 4.08Å; Y79-L97 HydrophobicContact CE2-CB 3.85Å; Y79-L97 HydrophobicContact CE2-CD1 3.87Å; Y79-L97 HydrophobicContact CE2-CG 3.82Å; Y79-L97 HydrophobicContact CG-CB 4.45Å; Y79-L97 WeakPolarHBondContact OH-CD1 3.42Å
80R98.3Very high97.8Very high47 Ų4757.9 Ų57.918%0.17729%0.286CS..Hα-helixtrans-69.4-39.1-175.9-69.2175.8-179.2141.210.6112.9F7 R72 I75 P77 V84F7-R80 HydrophobicContact CD2-CB 4.02Å; F7-R80 HydrophobicContact CE2-CB 4.03Å; F7-R80 HydrophobicContact CE2-CG 4.29Å; R72-R80 VanDerWaalsContact O-CZ 3.23Å; R72-R80 PolarHBondContact O-NE 2.59Å; R72-R80 PolarHBondContact O-NH2 2.67Å; I75-R80 HydrophobicContact CB-CG 4.35Å; I75-R80 HydrophobicContact CG2-CG 3.85Å; I75-R80 PolarHBondContact O-NE 3.31Å; I75-R80 PolarHBondContact O-NH2 3.23Å; P77-R80 WeakPolarHBondContact O-CB 3.04Å; P77-R80 WeakPolarHBondContact O-CG 3.49Å; P77-R80 PolarHBondContact O-N 3.35Å; P77-R80 VanDerWaalsContact O-N 3.16Å; R80-V84 WeakPolarHBondContact O-CG2 3.5Å; R80-V84 PolarHBondContact O-N 3.42Å
81E98.1Very high97.8Very high139 Ų13958.3 Ų58.365%0.6529%0.288SS*.Hα-helixtrans-69.4-48.1176.5-176.7170.6-170.900110.7F83 V84 L85E81-F83 PolarHBondContact O-N 2.67Å; E81-V84 PolarHBondContact O-N 3.33Å; E81-L85 HydrophobicContact CG-CD1 3.88Å; E81-L85 HydrophobicContact CG-CG 4.2Å; E81-L85 WeakPolarHBondContact O-CG 3.3Å; E81-L85 PolarHBondContact O-N 3.16Å
82D98.2Very high97.7Very high34 Ų3463.3 Ų63.318%0.18232%0.32CS..Hα-helixtrans-54.9-38.2173.7-95.125.8000112.9T86 K91 C94 V96D82-T86 VanDerWaalsContact O-CB 3.32Å; D82-T86 WeakPolarHBondContact O-CB 3.03Å; D82-T86 VanDerWaalsContact O-CG2 3.23Å; D82-T86 WeakPolarHBondContact O-CG2 3.41Å; D82-T86 PolarHBondContact O-N 2.94Å; D82-T86 PolarHBondContact O-OG1 3.13Å; D82-K91 IonicContact OD1-NZ 3.64Å; D82-K91 PolarHBondContact OD1-NZ 3.31Å; D82-K91 IonicContact OD2-NZ 3.59Å; D82-K91 PolarHBondContact OD2-NZ 3.43Å; D82-C94 PolarHBondContact OD2-SG 2.8Å; D82-V96 HydrophobicContact CB-CG2 4.43Å
83F98.5Very high97.6Very high0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-63.7-46.5173.3-172.3-114000112.6F7 L11 L71 I75 Y79 E81 V87 V96 M125 F129 P157F7-F83 AromaticContact CE2-CD1 3.75Å; F7-F83 HydrophobicContact CE2-CD1 3.75Å; F7-F83 AromaticContact CZ-CD1 3.67Å; F7-F83 HydrophobicContact CZ-CD1 3.67Å; F7-F83 HydrophobicContact CZ-CE1 4.02Å; L11-F83 HydrophobicContact CD1-CD1 3.7Å; L11-F83 HydrophobicContact CD1-CE1 3.59Å; L11-F83 HydrophobicContact CD2-CD1 4.4Å; L11-F83 HydrophobicContact CD2-CE1 4.27Å; L71-F83 HydrophobicContact CD2-CE1 4.29Å; L71-F83 HydrophobicContact CD2-CZ 4.38Å; I75-F83 HydrophobicContact CD1-CB 4.45Å; I75-F83 HydrophobicContact CD1-CD1 3.64Å; I75-F83 HydrophobicContact CD1-CD2 4.29Å; I75-F83 HydrophobicContact CD1-CE1 3.84Å; I75-F83 HydrophobicContact CD1-CE2 4.45Å; I75-F83 HydrophobicContact CD1-CG 3.88Å; I75-F83 HydrophobicContact CD1-CZ 4.25Å; Y79-F83 WeakPolarHBondContact O-CB 3.31Å; Y79-F83 PolarHBondContact O-N 2.82Å; E81-F83 PolarHBondContact O-N 2.67Å; F83-V87 HydrophobicContact CD2-CG2 4.1Å; F83-V87 HydrophobicContact CE2-CG2 3.89Å; F83-V87 HydrophobicContact CZ-CG2 4.1Å; F83-V87 VanDerWaalsContact O-CB 3.3Å; F83-V87 WeakPolarHBondContact O-CB 3.45Å; F83-V87 VanDerWaalsContact O-CG2 3.26Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 3.5Å; F83-V96 HydrophobicContact CB-CB 4.46Å; F83-V96 HydrophobicContact CB-CG1 3.78Å; F83-V96 HydrophobicContact CB-CG2 3.89Å; F83-V96 HydrophobicContact CD2-CB 4.2Å; F83-V96 HydrophobicContact CD2-CG1 3.75Å; F83-V96 HydrophobicContact CD2-CG2 4.08Å; F83-V96 HydrophobicContact CG-CG1 4.04Å; F83-V96 HydrophobicContact CG-CG2 4.5Å; F83-M125 HydrophobicContact CE1-CE 4.28Å; F83-M125 HydrophobicContact CE2-CE 3.62Å; F83-M125 HydrophobicContact CE2-SD 3.91Å; F83-M125 HydrophobicContact CZ-CE 3.45Å; F83-M125 VanDerWaalsContact CZ-CE 3.45Å; F83-M125 HydrophobicContact CZ-SD 3.54Å; F83-M125 VanDerWaalsContact CZ-SD 3.54Å; F83-F129 HydrophobicContact CE1-CE2 4.38Å; F83-F129 HydrophobicContact CE1-CZ 4.25Å; F83-F129 HydrophobicContact CZ-CD2 4.48Å; F83-F129 AromaticContact CZ-CE2 3.75Å; F83-F129 HydrophobicContact CZ-CE2 3.75Å; F83-F129 HydrophobicContact CZ-CZ 4.04Å; F83-P157 HydrophobicContact CE2-CG 4.47Å
84V98.4Very high97.6Very high23 Ų2357.2 Ų57.214%0.13931%0.306CS..Hα-helixtrans-61.8-51.3175.7173.70000110.6F7 A10 L11 R80 E81 T86 V87 T88F7-V84 HydrophobicContact CB-CG2 4.47Å; F7-V84 HydrophobicContact CD2-CG2 3.55Å; F7-V84 HydrophobicContact CE2-CG2 4.06Å; F7-V84 HydrophobicContact CG-CG2 4.19Å; A10-V84 HydrophobicContact CB-CG1 3.57Å; L11-V84 HydrophobicContact CD1-CG2 4.14Å; L11-V84 HydrophobicContact CD2-CG2 4.48Å; L11-V84 HydrophobicContact CG-CG2 4.11Å; R80-V84 WeakPolarHBondContact O-CG2 3.5Å; R80-V84 PolarHBondContact O-N 3.42Å; E81-V84 PolarHBondContact O-N 3.33Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.31Å; V84-V87 PolarHBondContact O-N 3.3Å; V84-T88 HydrophobicContact CG1-CG2 4.24Å; V84-T88 VanDerWaalsContact O-CB 3.31Å; V84-T88 WeakPolarHBondContact O-CB 3.5Å; V84-T88 VanDerWaalsContact O-CG2 3.23Å; V84-T88 WeakPolarHBondContact O-CG2 3.47Å; V84-T88 PolarHBondContact O-N 2.89Å; V84-T88 PolarHBondContact O-OG1 3.11Å
85L98.3Very high97.6Very high51 Ų5157 Ų5727%0.26731%0.306SS..Hα-helixtrans-62.9-38.1-177-66176.4000112.4E81 T88 G89 K90 K91E81-L85 HydrophobicContact CG-CD1 3.88Å; E81-L85 HydrophobicContact CG-CG 4.2Å; E81-L85 WeakPolarHBondContact O-CG 3.3Å; E81-L85 PolarHBondContact O-N 3.16Å; L85-T88 WeakPolarHBondContact CA-OG1 3.32Å; L85-T88 PolarHBondContact O-OG1 2.99Å; L85-G89 PolarHBondContact O-N 3.15Å; L85-K90 HydrophobicContact CB-CB 4.45Å; L85-K90 HydrophobicContact CD2-CB 3.99Å; L85-K90 HydrophobicContact CD2-CD 4.18Å; L85-K90 WeakPolarHBondContact O-CA 3.44Å; L85-K90 PolarHBondContact O-N 2.68Å; L85-K91 HydrophobicContact CB-CB 3.67Å; L85-K91 HydrophobicContact CB-CD 4.47Å; L85-K91 HydrophobicContact CD1-CD 4.5Å; L85-K91 PolarHBondContact O-N 2.87Å
86T97.8Very high97.6Very high2 Ų257 Ų571%0.01231%0.306CS..Hα-helixtrans-84.5-24.2-179.361.30000114.3D82 V84 K91 P92 Q156 H158D82-T86 VanDerWaalsContact O-CB 3.32Å; D82-T86 WeakPolarHBondContact O-CB 3.03Å; D82-T86 VanDerWaalsContact O-CG2 3.23Å; D82-T86 WeakPolarHBondContact O-CG2 3.41Å; D82-T86 PolarHBondContact O-N 2.94Å; D82-T86 PolarHBondContact O-OG1 3.13Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.31Å; T86-K91 WeakPolarHBondContact CA-O 3.45Å; T86-K91 HydrophobicContact CG2-CB 3.81Å; T86-K91 HydrophobicContact CG2-CD 4.11Å; T86-K91 HydrophobicContact CG2-CG 4Å; T86-K91 WeakPolarHBondContact CG2-O 3.42Å; T86-P92 VanDerWaalsContact CG2-O 3.3Å; T86-P92 WeakPolarHBondContact CG2-O 3.25Å; T86-Q156 PolarHBondContact OG1-NE2 3.45Å; T86-Q156 PolarHBondContact OG1-OE1 2.97Å; T86-H158 PolarHBondContact O-CE1 3.43Å; T86-H158 VanDerWaalsContact O-CE1 3.22Å
87V97.4Very high97.6Very high17 Ų1753.2 Ų53.210%0.10329%0.292CS..Hα-helixtrans-77.9-33.8170.1171.70000111.4L11 H14 F83 V84 G89 F129 P157L11-V87 HydrophobicContact CD2-CB 3.75Å; L11-V87 HydrophobicContact CD2-CG1 3.62Å; L11-V87 HydrophobicContact CD2-CG2 4.34Å; H14-V87 HydrophobicContact CB-CG1 3.68Å; H14-V87 PolarHBondContact ND1-O 2.85Å; F83-V87 HydrophobicContact CD2-CG2 4.1Å; F83-V87 HydrophobicContact CE2-CG2 3.89Å; F83-V87 HydrophobicContact CZ-CG2 4.1Å; F83-V87 VanDerWaalsContact O-CB 3.3Å; F83-V87 WeakPolarHBondContact O-CB 3.45Å; F83-V87 VanDerWaalsContact O-CG2 3.26Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 3.5Å; V84-V87 PolarHBondContact O-N 3.3Å; V87-G89 VanDerWaalsContact C-N 3.25Å; V87-G89 PolarHBondContact O-N 2.83Å; V87-F129 HydrophobicContact CG1-CD1 3.69Å; V87-F129 HydrophobicContact CG1-CE1 3.78Å; V87-F129 HydrophobicContact CG1-CG 4.49Å; V87-P157 HydrophobicContact CG2-CG 4.49Å
88T96.3Very high97.6Very high31 Ų3149.7 Ų49.719%0.1927%0.269CS..THydrogen-bonded Turntrans-79.5-0.717458.70000113.9A10 V84 L85 K90A10-T88 WeakPolarHBondContact O-CG2 3.23Å; V84-T88 HydrophobicContact CG1-CG2 4.24Å; V84-T88 VanDerWaalsContact O-CB 3.31Å; V84-T88 WeakPolarHBondContact O-CB 3.5Å; V84-T88 VanDerWaalsContact O-CG2 3.23Å; V84-T88 WeakPolarHBondContact O-CG2 3.47Å; V84-T88 PolarHBondContact O-N 2.89Å; V84-T88 PolarHBondContact O-OG1 3.11Å; L85-T88 WeakPolarHBondContact CA-OG1 3.32Å; L85-T88 PolarHBondContact O-OG1 2.99Å; T88-K90 PolarHBondContact O-N 3.23Å
89G95.8Very high97.6Very high65 Ų6546.6 Ų46.667%0.6726%0.256SS*.THydrogen-bonded Turntrans75.33.4179.700000115.5L85 V87 K91L85-G89 PolarHBondContact O-N 3.15Å; V87-G89 VanDerWaalsContact C-N 3.25Å; V87-G89 PolarHBondContact O-N 2.83Å; G89-K91 VanDerWaalsContact C-N 3.34Å
90K97.1Very high97.6Very high168 Ų16846.2 Ų46.273%0.7326%0.261SS*.SBendtrans-76.5-15-179.7-63178.8179.7-179.20114.1L85 T88L85-K90 HydrophobicContact CB-CB 4.45Å; L85-K90 HydrophobicContact CD2-CB 3.99Å; L85-K90 HydrophobicContact CD2-CD 4.18Å; L85-K90 WeakPolarHBondContact O-CA 3.44Å; L85-K90 PolarHBondContact O-N 2.68Å; T88-K90 PolarHBondContact O-N 3.23Å
91K96.9Very high97.5Very high74 Ų7446.7 Ų46.732%0.32227%0.267SS..SBendtrans-136.4141.9176.2-173.7-177.8-169.8178.80109.8D82 L85 T86 G89D82-K91 IonicContact OD1-NZ 3.64Å; D82-K91 PolarHBondContact OD1-NZ 3.31Å; D82-K91 IonicContact OD2-NZ 3.59Å; D82-K91 PolarHBondContact OD2-NZ 3.43Å; L85-K91 HydrophobicContact CB-CB 3.67Å; L85-K91 HydrophobicContact CB-CD 4.47Å; L85-K91 HydrophobicContact CD1-CD 4.5Å; L85-K91 PolarHBondContact O-N 2.87Å; T86-K91 WeakPolarHBondContact CA-O 3.45Å; T86-K91 HydrophobicContact CG2-CB 3.81Å; T86-K91 HydrophobicContact CG2-CD 4.11Å; T86-K91 HydrophobicContact CG2-CG 4Å; T86-K91 WeakPolarHBondContact CG2-O 3.42Å; G89-K91 VanDerWaalsContact C-N 3.34Å
92P97Very high97.4Very high105 Ų10549.7 Ų49.768%0.68228%0.281SS*.  trans-61146.6172.225.5-35.3000111.4T86 C94T86-P92 VanDerWaalsContact CG2-O 3.3Å; T86-P92 WeakPolarHBondContact CG2-O 3.25Å; P92-C94 PolarHBondContact O-N 3.16Å
93P95.4Very high97.3Very high68 Ų6856.3 Ų56.344%0.44231%0.308SS..  trans-52.7130.7-176.4-30.637.2000115H158P93-H158 HydrophobicContact CB-CB 3.73Å; P93-H158 HydrophobicContact CG-CB 3.72Å
94C96.9Very high97.2Very high30 Ų3058.6 Ų58.620%0.20333%0.332CS..  trans-132.2168.2174.362.40000110.6D82 P92 V96 Q156D82-C94 PolarHBondContact OD2-SG 2.8Å; P92-C94 PolarHBondContact O-N 3.16Å; C94-V96 PolarHBondContact O-N 3.07Å; C94-Q156 WeakPolarHBondContact O-CG 3.28Å
95C98.3Very high97Very high19 Ų1964.2 Ų64.213%0.12836%0.355CS..  trans-69.4118.8175.1-79.90000111.2Y79 L97 H159Y79-C95 WeakPolarHBondContact CD1-O 3.42Å; Y79-C95 WeakPolarHBondContact CE1-O 3.23Å; C95-L97 HydrophobicContact CB-CD2 4.24Å; C95-H159 PolarHBondContact N-CE1 3.25Å; C95-H159 PolarHBondContact SG-ND1 2.86Å
96V98.5Very high97Very high0 Ų062.8 Ų62.80%035%0.347CS..  trans-104.4120.4169.1170.60000108.1I75 D82 F83 C94 C154 V155 Q156I75-V96 HydrophobicContact CD1-CG1 4.38Å; I75-V96 HydrophobicContact CG1-CG1 4.5Å; I75-V96 HydrophobicContact CG2-CG1 3.93Å; D82-V96 HydrophobicContact CB-CG2 4.43Å; F83-V96 HydrophobicContact CB-CB 4.46Å; F83-V96 HydrophobicContact CB-CG1 3.78Å; F83-V96 HydrophobicContact CB-CG2 3.89Å; F83-V96 HydrophobicContact CD2-CB 4.2Å; F83-V96 HydrophobicContact CD2-CG1 3.75Å; F83-V96 HydrophobicContact CD2-CG2 4.08Å; F83-V96 HydrophobicContact CG-CG1 4.04Å; F83-V96 HydrophobicContact CG-CG2 4.5Å; C94-V96 PolarHBondContact O-N 3.07Å; V96-C154 WeakPolarHBondContact O-CA 3.38Å; V96-V155 HydrophobicContact CB-CG2 4.46Å; V96-V155 HydrophobicContact CG1-CG2 3.87Å; V96-V155 WeakPolarHBondContact O-CG2 3.26Å; V96-V155 PolarHBondContact O-N 3.38Å; V96-Q156 HydrophobicContact CB-CB 4.22Å; V96-Q156 HydrophobicContact CG2-CB 4.43Å
97L98.6Very high96.9Very high4 Ų467.4 Ų67.42%0.02136%0.364CS..BIsolated β-bridgetrans-100.2136.6-173-53.8-171.1000112.8R76 Y79 C95 N150 C154R76-L97 PolarHBondContact N-O 3.23Å; R76-L97 VanDerWaalsContact N-O 3.11Å; Y79-L97 HydrophobicContact CD2-CB 3.97Å; Y79-L97 HydrophobicContact CD2-CG 4.3Å; Y79-L97 HydrophobicContact CE1-CD1 4.49Å; Y79-L97 HydrophobicContact CE1-CG 4.08Å; Y79-L97 HydrophobicContact CE2-CB 3.85Å; Y79-L97 HydrophobicContact CE2-CD1 3.87Å; Y79-L97 HydrophobicContact CE2-CG 3.82Å; Y79-L97 HydrophobicContact CG-CB 4.45Å; Y79-L97 WeakPolarHBondContact OH-CD1 3.42Å; C95-L97 HydrophobicContact CB-CD2 4.24Å; L97-N150 HydrophobicContact CD2-CB 3.46Å; L97-N150 VanDerWaalsContact CD2-CB 3.46Å; L97-C154 HydrophobicContact CD2-CB 4.19Å
98S98.3Very high96.8Very high0 Ų075 Ų750%039%0.39CS..BIsolated β-bridgetrans-76.8161.7166.481.80000111.7D74 L153D74-S98 CarbonylContact O-C 3.48Å; D74-S98 VanDerWaalsContact O-CA 3.26Å; D74-S98 WeakPolarHBondContact O-CA 3.3Å; D74-S98 WeakPolarHBondContact O-CB 3.2Å; S98-L153 PolarHBondContact N-O 2.96Å
99N98.1Very high96.8Very high43 Ų4373.8 Ų73.823%0.2338%0.383CS..PPolyproline II helixtrans-63.5135.6157.7-67.3-47.3000108.7K73 D74 R76 R107K73-N99 PolarHBondContact O-ND2 3.46Å; D74-N99 PolarHBondContact O-N 3.39Å; D74-N99 PolarHBondContact O-ND2 3.43Å; R76-N99 WeakPolarHBondContact CG-OD1 3.28Å; N99-R107 WeakPolarHBondContact O-CD 3.35Å; N99-R107 WeakPolarHBondContact O-CG 3.24Å; N99-R107 PolarHBondContact O-NE 3.2Å
100P97.3Very high96.8Very high51 Ų5174.2 Ų74.233%0.33137%0.37SS..BIsolated β-bridgetrans-74.4155.9175.629.6-34.3000111.8K105 R107 L153P100-K105 CarbonylContact C-O 3.59Å; P100-K105 WeakPolarHBondContact CA-O 3.37Å; P100-R107 VanDerWaalsContact O-CZ 3.26Å; P100-R107 PolarHBondContact O-NE 2.89Å; P100-R107 PolarHBondContact O-NH2 3.27Å; P100-L153 HydrophobicContact CB-CD1 4.22Å; P100-L153 HydrophobicContact CB-CD2 4Å
101D96.4Very high96.8Very high56 Ų5666.3 Ų66.330%0.29934%0.336SS..  trans-71.3-178.9164.778.9-4.2000111.6K103 G104 K105 R107D101-K103 PolarHBondContact O-N 3.12Å; D101-K103 VanDerWaalsContact OD1-C 3.27Å; D101-K103 VanDerWaalsContact OD1-CA 3.29Å; D101-K103 WeakPolarHBondContact OD1-CA 2.98Å; D101-K103 WeakPolarHBondContact OD1-CB 3.27Å; D101-K103 PolarHBondContact OD1-N 2.83Å; D101-G104 PolarHBondContact O-N 3.15Å; D101-G104 VanDerWaalsContact O-N 3.11Å; D101-G104 PolarHBondContact OD1-N 3.03Å; D101-G104 VanDerWaalsContact OD1-N 3.12Å; D101-K105 PolarHBondContact N-O 2.81Å; D101-K105 PolarHBondContact OD1-N 2.8Å; D101-R107 HydrophobicContact CB-CG 4.04Å
102Q95.6Very high96.7Very high203 Ų20364 Ų6495%0.94933%0.327SS*.THydrogen-bonded Turntrans-62.1-9.7178.4-67.3174.2-15.300114.1
103K96.3Very high96.2Very high172 Ų17269.7 Ų69.775%0.74834%0.335SS*.THydrogen-bonded Turntrans-113.613.8-179.6-59.1-174.1177.9-173.90112.2D101 K105D101-K103 PolarHBondContact O-N 3.12Å; D101-K103 VanDerWaalsContact OD1-C 3.27Å; D101-K103 VanDerWaalsContact OD1-CA 3.29Å; D101-K103 WeakPolarHBondContact OD1-CA 2.98Å; D101-K103 WeakPolarHBondContact OD1-CB 3.27Å; D101-K103 PolarHBondContact OD1-N 2.83Å; K103-K105 VanDerWaalsContact C-N 3.3Å; K103-K105 PolarHBondContact O-N 2.83Å
104G96.3Very high95.3Very high49 Ų4976 Ų7651%0.50536%0.358SS..SBendtrans786.6-18000000115D101D101-G104 PolarHBondContact O-N 3.15Å; D101-G104 VanDerWaalsContact O-N 3.11Å; D101-G104 PolarHBondContact OD1-N 3.03Å; D101-G104 VanDerWaalsContact OD1-N 3.12Å
105K95.5Very high94.6Very high141 Ų14175.7 Ų75.761%0.61336%0.358SS*.SBendtrans-103.3165.8-169.8-61.2-171-179.9-171.60112.8P100 D101 K103 R107P100-K105 CarbonylContact C-O 3.59Å; P100-K105 WeakPolarHBondContact CA-O 3.37Å; D101-K105 PolarHBondContact N-O 2.81Å; D101-K105 PolarHBondContact OD1-N 2.8Å; K103-K105 VanDerWaalsContact C-N 3.3Å; K103-K105 PolarHBondContact O-N 2.83Å; K105-R107 PolarHBondContact O-N 3.37Å
106M96.7Very high93.4Very high21 Ų2180.6 Ų80.610%0.10338%0.383CS..BIsolated β-bridgetrans-50.4121.2172.3-173.965.976.700111.6R120 L121 L153 C154 V155M106-R120 HydrophobicContact CB-CG 4.46Å; M106-R120 HydrophobicContact CG-CG 3.88Å; M106-L121 HydrophobicContact CG-CB 4.23Å; M106-L121 HydrophobicContact SD-CB 3.79Å; M106-L121 HydrophobicContact SD-CD1 4.01Å; M106-L153 VanDerWaalsContact CE-C 3.49Å; M106-C154 WeakPolarHBondContact CE-O 3.45Å; M106-V155 HydrophobicContact CE-CG1 3.65Å; M106-V155 HydrophobicContact SD-CG1 3.43Å; M106-V155 WeakPolarHBondContact SD-CG1 3.37Å
107R96.4Very high93Very high99 Ų9983.6 Ų83.637%0.37440%0.396SS..PPolyproline II helixtrans-63.9164177.9-78.6-178.7-178.2-135.8-6.8113D74 N99 P100 D101 K105 L121D74-R107 VanDerWaalsContact OD1-CD 3.27Å; D74-R107 WeakPolarHBondContact OD1-CD 3.35Å; N99-R107 WeakPolarHBondContact O-CD 3.35Å; N99-R107 WeakPolarHBondContact O-CG 3.24Å; N99-R107 PolarHBondContact O-NE 3.2Å; P100-R107 VanDerWaalsContact O-CZ 3.26Å; P100-R107 PolarHBondContact O-NE 2.89Å; P100-R107 PolarHBondContact O-NH2 3.27Å; D101-R107 HydrophobicContact CB-CG 4.04Å; K105-R107 PolarHBondContact O-N 3.37Å; R107-L121 HydrophobicContact CB-CD1 3.76Å; R107-L121 HydrophobicContact CB-CG 4.47Å; R107-L121 WeakPolarHBondContact O-CG 3.3Å; R107-L121 PolarHBondContact O-N 2.84Å
108R95.9Very high92.8Very high175 Ų17586.2 Ų86.266%0.6641%0.412SS*.EExtended strand (participates in β ladder)trans-113.4141.7167.1-56.8-175.9179.5-174.2-1.6109.5V118 W119R108-V118 VanDerWaalsContact C-CG1 3.44Å; R108-V118 HydrophobicContact CB-CB 3.94Å; R108-V118 HydrophobicContact CB-CG1 3.46Å; R108-V118 VanDerWaalsContact CB-CG1 3.46Å; R108-W119 CarbonylContact C-O 3.5Å; R108-W119 WeakPolarHBondContact CA-O 3.39Å; R108-W119 WeakPolarHBondContact CB-O 3.26Å
109I95.9Very high92.8Very high6 Ų686.5 Ų86.53%0.03141%0.413CS..EExtended strand (participates in β ladder)trans-122.5140-177.9-166.3175.4000110.9L67 K70 L71 D74 C111 V118 W119 L121 V124L67-I109 HydrophobicContact CD1-CD1 4.07Å; K70-I109 HydrophobicContact CB-CD1 3.79Å; K70-I109 HydrophobicContact CB-CG1 4.37Å; L71-I109 HydrophobicContact CD1-CD1 4.33Å; D74-I109 WeakPolarHBondContact OD2-CD1 3.35Å; I109-C111 PolarHBondContact O-N 2.71Å; I109-V118 VanDerWaalsContact C-CG1 3.46Å; I109-W119 PolarHBondContact N-O 3.43Å; I109-W119 PolarHBondContact O-N 2.7Å; I109-L121 HydrophobicContact CB-CD2 3.95Å; I109-L121 HydrophobicContact CD1-CD2 4.22Å; I109-L121 HydrophobicContact CG2-CD2 3.8Å; I109-V124 HydrophobicContact CG2-CB 4.41Å; I109-V124 HydrophobicContact CG2-CG1 4.44Å; I109-V124 HydrophobicContact CG2-CG2 3.81Å
110D95.2Very high92.7Very high75 Ų7587.7 Ų87.740%0.40141%0.414SS..EExtended strand (participates in β ladder)trans-77.5119.7171.3-65.5-51.3000110K70K70-D110 PolarHBondContact NZ-O 3.19Å
111C97.1Very high92.8Very high2 Ų285.4 Ų85.41%0.01440%0.399CS..SBendtrans-78.4-27.9180-66.80000112.6F23 W63 L67 I109 V124F23-C111 HydrophobicContact CD1-CB 3.91Å; F23-C111 HydrophobicContact CD2-CB 4.28Å; F23-C111 HydrophobicContact CE1-CB 4.14Å; F23-C111 HydrophobicContact CE2-CB 4.48Å; F23-C111 HydrophobicContact CG-CB 4Å; F23-C111 HydrophobicContact CZ-CB 4.41Å; W63-C111 PolarHBondContact NE1-O 2.86Å; L67-C111 HydrophobicContact CD2-CB 4.39Å; I109-C111 PolarHBondContact O-N 2.71Å; C111-V124 VanDerWaalsContact SG-CG2 3.52Å
112L94.6Very high92.8Very high25 Ų2583 Ų8313%0.13139%0.387CS..SBendtrans-129.4150.9-178.1-65.9167.5000109.9F23 N24 A27 A115F23-L112 HydrophobicContact CB-CD1 4.29Å; F23-L112 WeakPolarHBondContact O-CD1 3.24Å; N24-L112 WeakPolarHBondContact OD1-CD2 3.43Å; A27-L112 HydrophobicContact CB-CD1 3.69Å; L112-A115 HydrophobicContact CB-CB 3.87Å
113R85.9Confident93Very high225 Ų22573.6 Ų73.685%0.84934%0.343SS*.THydrogen-bonded Turntrans-76.3149.3167.8-64.6-172.572.51170.3108.7A115R113-A115 PolarHBondContact O-N 3.1Å
114Q78.4Confident93.1Very high200 Ų20065.4 Ų65.494%0.93531%0.307SS*.THydrogen-bonded Turntrans58.728.7178.8-57.1170.6-33.800114.4
115A81.3Confident93.1Very high23 Ų2363 Ų6319%0.1928%0.283CS..  trans-113125.1174.300000110.5L112 R113 K117L112-A115 HydrophobicContact CB-CB 3.87Å; R113-A115 PolarHBondContact O-N 3.1Å; A115-K117 PolarHBondContact O-N 3.04Å
116D73.7Confident93.3Very high123 Ų12356.3 Ų56.366%0.65825%0.254SS*.SBendtrans-70.930.5-176.7-54.8-13.5000114.2K34K34-D116 IonicContact NZ-OD2 2.64Å; K34-D116 PolarHBondContact NZ-OD2 2.88Å
117K90.6Very high93.3Very high62 Ų6255.3 Ų55.327%0.2725%0.249SC..  trans-148.7109-176.7-168.581.2-165.9-132.70113.3A115 W119 S136A115-K117 PolarHBondContact O-N 3.04Å; K117-W119 VanDerWaalsContact O-CD1 3.23Å; K117-S136 VanDerWaalsContact CE-OG 3.3Å; K117-S136 WeakPolarHBondContact CE-OG 3.42Å; K117-S136 PolarHBondContact NZ-OG 3.44Å
118V93.8Very high93.4Very high60 Ų6050.7 Ų50.736%0.36423%0.231SC..EExtended strand (participates in β ladder)trans-77.7138.5165.9-144.80000110.4R108 I109R108-V118 VanDerWaalsContact C-CG1 3.44Å; R108-V118 HydrophobicContact CB-CB 3.94Å; R108-V118 HydrophobicContact CB-CG1 3.46Å; R108-V118 VanDerWaalsContact CB-CG1 3.46Å; I109-V118 VanDerWaalsContact C-CG1 3.46Å
119W97.1Very high93.5Very high6 Ų643 Ų432%0.02320%0.202CC..EExtended strand (participates in β ladder)trans-113.1142.9-177.3-68.571.4000112F23 Q26 R108 I109 K117 V124 I127 S136F23-W119 HydrophobicContact CD1-CD2 4.18Å; F23-W119 AromaticContact CD1-CE2 3.73Å; F23-W119 HydrophobicContact CD1-CH2 4.1Å; F23-W119 AromaticContact CD1-CZ2 3.7Å; F23-W119 HydrophobicContact CD1-CZ2 3.7Å; F23-W119 AromaticContact CE1-CD2 3.7Å; F23-W119 HydrophobicContact CE1-CD2 3.7Å; F23-W119 AromaticContact CE1-CE2 3.75Å; F23-W119 AromaticContact CE1-CE3 3.83Å; F23-W119 HydrophobicContact CE1-CE3 3.83Å; F23-W119 HydrophobicContact CE1-CG 4.24Å; F23-W119 HydrophobicContact CE1-CH2 4.05Å; F23-W119 AromaticContact CE1-CZ2 3.95Å; F23-W119 HydrophobicContact CE1-CZ2 3.95Å; F23-W119 AromaticContact CE1-CZ3 4Å; F23-W119 HydrophobicContact CE1-CZ3 4Å; Q26-W119 HydrophobicContact CB-CZ2 4.38Å; R108-W119 CarbonylContact C-O 3.5Å; R108-W119 WeakPolarHBondContact CA-O 3.39Å; R108-W119 WeakPolarHBondContact CB-O 3.26Å; I109-W119 PolarHBondContact N-O 3.43Å; I109-W119 PolarHBondContact O-N 2.7Å; K117-W119 VanDerWaalsContact O-CD1 3.23Å; W119-V124 HydrophobicContact CB-CG2 3.52Å; W119-V124 HydrophobicContact CG-CG2 4.37Å; W119-I127 HydrophobicContact CE3-CD1 4.16Å; W119-I127 HydrophobicContact CH2-CD1 4.5Å; W119-I127 HydrophobicContact CZ3-CD1 3.76Å; W119-S136 VanDerWaalsContact CZ3-CA 3.47Å; W119-S136 VanDerWaalsContact CZ3-N 3.32Å
120R97.2Very high93.5Very high68 Ų6846.2 Ų46.226%0.25722%0.217SC..EExtended strand (participates in β ladder)trans-65.7135.2174.9-162.3178.870.4-173.71.2109.8M106 D122 L123 V124 G139M106-R120 HydrophobicContact CB-CG 4.46Å; M106-R120 HydrophobicContact CG-CG 3.88Å; R120-D122 VanDerWaalsContact C-N 3.33Å; R120-D122 IonicContact CZ-OD1 3.12Å; R120-D122 VanDerWaalsContact CZ-OD1 3.23Å; R120-D122 IonicContact CZ-OD2 3.23Å; R120-D122 IonicContact NE-OD1 2.76Å; R120-D122 PolarHBondContact NE-OD1 3.2Å; R120-D122 IonicContact NE-OD2 2.67Å; R120-D122 IonicContact NH2-OD1 2.67Å; R120-D122 PolarHBondContact NH2-OD1 3.49Å; R120-D122 IonicContact NH2-OD2 2.97Å; R120-D122 PolarHBondContact O-N 3.22Å; R120-L123 HydrophobicContact CB-CD1 4.16Å; R120-L123 WeakPolarHBondContact O-CB 3.37Å; R120-L123 PolarHBondContact O-N 2.94Å; R120-L123 VanDerWaalsContact O-N 3.16Å; R120-V124 PolarHBondContact O-N 3.29Å; R120-G139 VanDerWaalsContact CZ-O 3.29Å; R120-G139 PolarHBondContact NH1-O 3.3Å; R120-G139 PolarHBondContact NH2-O 2.86Å
121L98.3Very high93.6Very high2 Ų242.7 Ų42.71%0.0120%0.198CC..Hα-helixtrans-54.5-42-169.8-79166.7000114.3L71 D74 M106 R107 I109 L123 V124 M125 V155L71-L121 HydrophobicContact CD1-CD2 3.82Å; D74-L121 HydrophobicContact CB-CD1 4.07Å; D74-L121 HydrophobicContact CB-CD2 4.03Å; M106-L121 HydrophobicContact CG-CB 4.23Å; M106-L121 HydrophobicContact SD-CB 3.79Å; M106-L121 HydrophobicContact SD-CD1 4.01Å; R107-L121 HydrophobicContact CB-CD1 3.76Å; R107-L121 HydrophobicContact CB-CG 4.47Å; R107-L121 WeakPolarHBondContact O-CG 3.3Å; R107-L121 PolarHBondContact O-N 2.84Å; I109-L121 HydrophobicContact CB-CD2 3.95Å; I109-L121 HydrophobicContact CD1-CD2 4.22Å; I109-L121 HydrophobicContact CG2-CD2 3.8Å; L121-L123 PolarHBondContact O-N 3.02Å; L121-V124 WeakPolarHBondContact O-CA 3.38Å; L121-V124 WeakPolarHBondContact O-CB 3.08Å; L121-V124 PolarHBondContact O-N 3.08Å; L121-V124 VanDerWaalsContact O-N 3.12Å; L121-M125 VanDerWaalsContact O-CG 3.28Å; L121-M125 WeakPolarHBondContact O-CG 3.47Å; L121-M125 PolarHBondContact O-N 2.89Å; L121-V155 HydrophobicContact CB-CG1 3.86Å; L121-V155 HydrophobicContact CD1-CG1 4.31Å
122D98Very high93.5Very high7 Ų745.4 Ų45.44%0.03721%0.212CC..Hα-helixtrans-69.7-30.1-178.753.217.6000114.6R120 V124 M125 V126 L142 K144 I160R120-D122 VanDerWaalsContact C-N 3.33Å; R120-D122 IonicContact CZ-OD1 3.12Å; R120-D122 VanDerWaalsContact CZ-OD1 3.23Å; R120-D122 IonicContact CZ-OD2 3.23Å; R120-D122 IonicContact NE-OD1 2.76Å; R120-D122 PolarHBondContact NE-OD1 3.2Å; R120-D122 IonicContact NE-OD2 2.67Å; R120-D122 IonicContact NH2-OD1 2.67Å; R120-D122 PolarHBondContact NH2-OD1 3.49Å; R120-D122 IonicContact NH2-OD2 2.97Å; R120-D122 PolarHBondContact O-N 3.22Å; D122-V124 VanDerWaalsContact C-N 3.32Å; D122-M125 PolarHBondContact O-N 2.81Å; D122-V126 WeakPolarHBondContact O-CG2 3.12Å; D122-V126 PolarHBondContact O-N 2.71Å; D122-L142 HydrophobicContact CB-CD1 3.96Å; D122-L142 WeakPolarHBondContact OD1-CD1 3.48Å; D122-K144 IonicContact OD2-NZ 3.23Å; D122-K144 PolarHBondContact OD2-NZ 3.24Å; D122-I160 HydrophobicContact CB-CD1 3.54Å; D122-I160 HydrophobicContact CB-CG1 4.22Å
123L98.1Very high93.5Very high4 Ų446.6 Ų46.62%0.02122%0.221CC..Hα-helixtrans-60.4-45.4166.9-68.8169.8000110.1R120 L121 M125 V126 I127 L134 D138 L142R120-L123 HydrophobicContact CB-CD1 4.16Å; R120-L123 WeakPolarHBondContact O-CB 3.37Å; R120-L123 PolarHBondContact O-N 2.94Å; R120-L123 VanDerWaalsContact O-N 3.16Å; L121-L123 PolarHBondContact O-N 3.02Å; L123-M125 VanDerWaalsContact C-N 3.32Å; L123-M125 PolarHBondContact O-N 2.75Å; L123-V126 PolarHBondContact O-N 3.38Å; L123-I127 WeakPolarHBondContact O-CD1 3.44Å; L123-I127 VanDerWaalsContact O-CG1 3.25Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 2.94Å; L123-L134 HydrophobicContact CD2-CB 4.19Å; L123-L134 HydrophobicContact CD2-CD1 3.86Å; L123-D138 HydrophobicContact CD2-CB 4.38Å; L123-L142 HydrophobicContact CD2-CD1 3.71Å; L123-L142 HydrophobicContact CD2-CG 3.95Å; L123-L142 HydrophobicContact CG-CD1 4.01Å
124V98.4Very high93.9Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-63.1-39.3178.5-178.50000111.2F23 L67 I109 C111 W119 R120 L121 D122 I127 L128F23-V124 HydrophobicContact CZ-CB 4.44Å; F23-V124 HydrophobicContact CZ-CG1 4.19Å; F23-V124 HydrophobicContact CZ-CG2 4.21Å; L67-V124 HydrophobicContact CD2-CG1 4.4Å; I109-V124 HydrophobicContact CG2-CB 4.41Å; I109-V124 HydrophobicContact CG2-CG1 4.44Å; I109-V124 HydrophobicContact CG2-CG2 3.81Å; C111-V124 VanDerWaalsContact SG-CG2 3.52Å; W119-V124 HydrophobicContact CB-CG2 3.52Å; W119-V124 HydrophobicContact CG-CG2 4.37Å; R120-V124 PolarHBondContact O-N 3.29Å; L121-V124 WeakPolarHBondContact O-CA 3.38Å; L121-V124 WeakPolarHBondContact O-CB 3.08Å; L121-V124 PolarHBondContact O-N 3.08Å; L121-V124 VanDerWaalsContact O-N 3.12Å; D122-V124 VanDerWaalsContact C-N 3.32Å; V124-I127 PolarHBondContact O-N 2.82Å; V124-L128 HydrophobicContact CG1-CD1 3.65Å; V124-L128 HydrophobicContact CG1-CG 4.07Å; V124-L128 VanDerWaalsContact O-CB 3.24Å; V124-L128 WeakPolarHBondContact O-CB 3.49Å; V124-L128 WeakPolarHBondContact O-CG 3.42Å; V124-L128 PolarHBondContact O-N 3.42Å
125M98.2Very high94.7Very high0 Ų029.7 Ų29.70%015%0.152CC..Hα-helixtrans-64.5-42175.8-67.5-66.1-158.400113.1L71 I75 F83 L121 D122 L123 F129 V155 P157 I160L71-M125 HydrophobicContact CD1-CE 3.71Å; L71-M125 HydrophobicContact CD1-SD 4.17Å; L71-M125 HydrophobicContact CD2-CE 3.87Å; L71-M125 HydrophobicContact CD2-SD 3.89Å; L71-M125 HydrophobicContact CG-CE 3.9Å; L71-M125 HydrophobicContact CG-SD 4.46Å; I75-M125 HydrophobicContact CD1-CE 3.98Å; I75-M125 HydrophobicContact CG1-CE 4.46Å; F83-M125 HydrophobicContact CE1-CE 4.28Å; F83-M125 HydrophobicContact CE2-CE 3.62Å; F83-M125 HydrophobicContact CE2-SD 3.91Å; F83-M125 HydrophobicContact CZ-CE 3.45Å; F83-M125 VanDerWaalsContact CZ-CE 3.45Å; F83-M125 HydrophobicContact CZ-SD 3.54Å; F83-M125 VanDerWaalsContact CZ-SD 3.54Å; L121-M125 VanDerWaalsContact O-CG 3.28Å; L121-M125 WeakPolarHBondContact O-CG 3.47Å; L121-M125 PolarHBondContact O-N 2.89Å; D122-M125 PolarHBondContact O-N 2.81Å; L123-M125 VanDerWaalsContact C-N 3.32Å; L123-M125 PolarHBondContact O-N 2.75Å; M125-F129 WeakPolarHBondContact O-CD2 3.25Å; M125-F129 PolarHBondContact O-N 2.82Å; M125-F129 VanDerWaalsContact O-N 3.08Å; M125-F129 HydrophobicContact SD-CD2 4.12Å; M125-F129 HydrophobicContact SD-CE2 3.79Å; M125-V155 HydrophobicContact CE-CB 3.67Å; M125-V155 HydrophobicContact CE-CG2 3.64Å; M125-V155 HydrophobicContact CG-CB 4.12Å; M125-V155 WeakPolarHBondContact CG-O 3.42Å; M125-P157 HydrophobicContact CB-CG 4.26Å; M125-I160 HydrophobicContact CB-CD1 4.19Å
126V98.1Very high95.2Very high0 Ų030 Ų300%015%0.152CC..Iπ-helixtrans-67.4-44.4176.8169.60000111.2D122 L123 K130 G131 I132 L134 L142 I160 V162D122-V126 WeakPolarHBondContact O-CG2 3.12Å; D122-V126 PolarHBondContact O-N 2.71Å; L123-V126 PolarHBondContact O-N 3.38Å; V126-K130 CarbonylContact O-C 3.54Å; V126-K130 WeakPolarHBondContact O-CA 3.24Å; V126-K130 VanDerWaalsContact O-CB 3.31Å; V126-K130 WeakPolarHBondContact O-CB 3.16Å; V126-K130 PolarHBondContact O-N 3.38Å; V126-G131 PolarHBondContact O-N 3.01Å; V126-I132 HydrophobicContact CG1-CB 3.82Å; V126-I132 HydrophobicContact CG1-CD1 3.9Å; V126-I132 HydrophobicContact CG1-CG1 4.11Å; V126-L134 HydrophobicContact CB-CD1 4.15Å; V126-L134 HydrophobicContact CG1-CD1 3.6Å; V126-L134 HydrophobicContact CG1-CG 4.4Å; V126-L142 HydrophobicContact CG2-CD1 4.43Å; V126-L142 HydrophobicContact CG2-CD2 4.14Å; V126-I160 HydrophobicContact CG2-CB 3.99Å; V126-I160 HydrophobicContact CG2-CG2 3.43Å; V126-I160 VanDerWaalsContact CG2-CG2 3.43Å; V126-V162 HydrophobicContact CG1-CG2 4.16Å
127I98.1Very high96.2Very high0 Ų028.3 Ų28.30%015%0.147CC..Iπ-helixtrans-63.7-45.9176.8-64.6160.7000110.8A19 F23 W119 L123 V124 G131 I132 L134A19-I127 HydrophobicContact CB-CG2 3.9Å; F23-I127 HydrophobicContact CD2-CG2 4.31Å; F23-I127 HydrophobicContact CE1-CD1 3.72Å; F23-I127 HydrophobicContact CE1-CG2 4.44Å; F23-I127 HydrophobicContact CE2-CB 4.26Å; F23-I127 HydrophobicContact CE2-CG2 3.62Å; F23-I127 HydrophobicContact CZ-CB 3.94Å; F23-I127 HydrophobicContact CZ-CD1 3.67Å; F23-I127 HydrophobicContact CZ-CG1 4.42Å; F23-I127 HydrophobicContact CZ-CG2 3.69Å; W119-I127 HydrophobicContact CE3-CD1 4.16Å; W119-I127 HydrophobicContact CH2-CD1 4.5Å; W119-I127 HydrophobicContact CZ3-CD1 3.76Å; L123-I127 WeakPolarHBondContact O-CD1 3.44Å; L123-I127 VanDerWaalsContact O-CG1 3.25Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 2.94Å; V124-I127 PolarHBondContact O-N 2.82Å; I127-G131 WeakPolarHBondContact O-CA 3.13Å; I127-G131 PolarHBondContact O-N 3.46Å; I127-I132 WeakPolarHBondContact CG1-O 3.46Å; I127-L134 HydrophobicContact CD1-CB 4.38Å; I127-L134 HydrophobicContact CG1-CB 4.28Å
128L98.1Very high96.4Very high1 Ų126.6 Ų26.61%0.00514%0.14CC..Iπ-helixtrans-67.9-45.8-176.5-75.5175.2000113.7V15 R16 A19 W63 L67 L71 V124V15-L128 CarbonylContact C-O 3.54Å; V15-L128 WeakPolarHBondContact CA-O 3.31Å; V15-L128 HydrophobicContact CG1-CD2 3.69Å; V15-L128 HydrophobicContact CG2-CD2 4.46Å; R16-L128 WeakPolarHBondContact CG-O 3.46Å; R16-L128 PolarHBondContact N-O 2.98Å; A19-L128 HydrophobicContact CB-CD2 3.89Å; W63-L128 HydrophobicContact CH2-CD2 3.8Å; W63-L128 HydrophobicContact CZ3-CD2 4.34Å; L67-L128 HydrophobicContact CD2-CD1 4.14Å; L67-L128 HydrophobicContact CD2-CD2 4.01Å; L67-L128 HydrophobicContact CG-CD1 4.39Å; L71-L128 HydrophobicContact CD2-CD1 4.3Å; V124-L128 HydrophobicContact CG1-CD1 3.65Å; V124-L128 HydrophobicContact CG1-CG 4.07Å; V124-L128 VanDerWaalsContact O-CB 3.24Å; V124-L128 WeakPolarHBondContact O-CB 3.49Å; V124-L128 WeakPolarHBondContact O-CG 3.42Å; V124-L128 PolarHBondContact O-N 3.42Å
129F97.7Very high96.5Very high13 Ų1324.4 Ų24.46%0.05713%0.13CC..Iπ-helixtrans-104.5-28.5-168.4-62.9-74.8000113.5L11 H14 V15 R16 L68 L71 F83 V87 M125 P157L11-F129 HydrophobicContact CD2-CE1 4.33Å; H14-F129 HydrophobicContact CB-CD1 4.09Å; H14-F129 HydrophobicContact CB-CE1 4.15Å; H14-F129 WeakPolarHBondContact O-CD1 3.35Å; V15-F129 HydrophobicContact CG2-CE1 3.95Å; V15-F129 HydrophobicContact CG2-CZ 4.19Å; R16-F129 PolarHBondContact NE-O 2.86Å; R16-F129 PolarHBondContact NH2-O 2.92Å; L68-F129 HydrophobicContact CD2-CZ 4.11Å; L71-F129 HydrophobicContact CD2-CE2 4.33Å; F83-F129 HydrophobicContact CE1-CE2 4.38Å; F83-F129 HydrophobicContact CE1-CZ 4.25Å; F83-F129 HydrophobicContact CZ-CD2 4.48Å; F83-F129 AromaticContact CZ-CE2 3.75Å; F83-F129 HydrophobicContact CZ-CE2 3.75Å; F83-F129 HydrophobicContact CZ-CZ 4.04Å; V87-F129 HydrophobicContact CG1-CD1 3.69Å; V87-F129 HydrophobicContact CG1-CE1 3.78Å; V87-F129 HydrophobicContact CG1-CG 4.49Å; M125-F129 WeakPolarHBondContact O-CD2 3.25Å; M125-F129 PolarHBondContact O-N 2.82Å; M125-F129 VanDerWaalsContact O-N 3.08Å; M125-F129 HydrophobicContact SD-CD2 4.12Å; M125-F129 HydrophobicContact SD-CE2 3.79Å; F129-P157 HydrophobicContact CB-CB 4.24Å; F129-P157 HydrophobicContact CB-CG 3.95Å; F129-P157 HydrophobicContact CD2-CG 3.81Å; F129-P157 HydrophobicContact CG-CG 4.08Å
130K96.1Very high96.3Very high75 Ų7530.6 Ų30.633%0.32616%0.159SC..Iπ-helixtrans-100.4-13.3175.4-57-171.8175-177.80113.9V126 I132 P157 I160V126-K130 CarbonylContact O-C 3.54Å; V126-K130 WeakPolarHBondContact O-CA 3.24Å; V126-K130 VanDerWaalsContact O-CB 3.31Å; V126-K130 WeakPolarHBondContact O-CB 3.16Å; V126-K130 PolarHBondContact O-N 3.38Å; K130-I132 HydrophobicContact CB-CD1 4.08Å; K130-I132 HydrophobicContact CB-CG1 3.91Å; K130-I132 HydrophobicContact CD-CD1 4.32Å; K130-I132 PolarHBondContact O-N 3.43Å; K130-P157 WeakPolarHBondContact CE-O 3.48Å; K130-P157 PolarHBondContact NZ-O 2.92Å; K130-I160 PolarHBondContact NZ-O 3.06Å
131G96.1Very high96.2Very high1 Ų130.7 Ų30.71%0.0116%0.159CC..  trans70.212.4177.800000115.1F18 V126 I127 S224F18-G131 VanDerWaalsContact CD1-O 3.27Å; F18-G131 WeakPolarHBondContact CD1-O 3.29Å; F18-G131 VanDerWaalsContact CE1-O 3.31Å; F18-G131 WeakPolarHBondContact CE1-O 3.46Å; V126-G131 PolarHBondContact O-N 3.01Å; I127-G131 WeakPolarHBondContact O-CA 3.13Å; I127-G131 PolarHBondContact O-N 3.46Å; G131-S224 VanDerWaalsContact O-CB 3.3Å; G131-S224 WeakPolarHBondContact O-CB 3.37Å
132I95.6Very high96.2Very high59 Ų5931.5 Ų31.530%0.30316%0.163SC..  trans-75.4131.1-175.1-54.5179.8000109.8V126 I127 K130 L134 V162V126-I132 HydrophobicContact CG1-CB 3.82Å; V126-I132 HydrophobicContact CG1-CD1 3.9Å; V126-I132 HydrophobicContact CG1-CG1 4.11Å; I127-I132 WeakPolarHBondContact CG1-O 3.46Å; K130-I132 HydrophobicContact CB-CD1 4.08Å; K130-I132 HydrophobicContact CB-CG1 3.91Å; K130-I132 HydrophobicContact CD-CD1 4.32Å; K130-I132 PolarHBondContact O-N 3.43Å; I132-L134 VanDerWaalsContact C-N 3.29Å; I132-L134 HydrophobicContact CB-CG 4.5Å; I132-L134 HydrophobicContact CG2-CD2 4.01Å; I132-L134 HydrophobicContact CG2-CG 3.99Å; I132-L134 PolarHBondContact O-N 3.17Å; I132-V162 HydrophobicContact CD1-CG2 3.81Å; I132-V162 HydrophobicContact CG2-CG2 4.49Å
133P94.9Very high96.2Very high49 Ų4934.4 Ų34.432%0.31818%0.182SC..  trans-78.165.7-17434.2-39.9000113.1F18 W22 L220F18-P133 HydrophobicContact CE1-CB 4.07Å; F18-P133 HydrophobicContact CZ-CB 3.76Å; W22-P133 HydrophobicContact CD2-CB 4.3Å; W22-P133 HydrophobicContact CE3-CB 4.34Å; W22-P133 HydrophobicContact CH2-CB 3.91Å; W22-P133 HydrophobicContact CZ2-CB 3.86Å; W22-P133 VanDerWaalsContact CZ2-O 3.28Å; W22-P133 WeakPolarHBondContact CZ2-O 3.33Å; W22-P133 HydrophobicContact CZ3-CB 4.14Å; P133-L220 HydrophobicContact CB-CD2 4.24Å; P133-L220 HydrophobicContact CG-CD1 4.26Å; P133-L220 HydrophobicContact CG-CD2 4.27Å
134L95.3Very high96.1Very high2 Ų236.7 Ų36.71%0.0119%0.191CC..  trans-84.2138.4179.8-62.3179.7000112.5W22 L123 V126 I127 I132 D138 L142 V162W22-L134 PolarHBondContact NE1-O 3.17Å; L123-L134 HydrophobicContact CD2-CB 4.19Å; L123-L134 HydrophobicContact CD2-CD1 3.86Å; V126-L134 HydrophobicContact CB-CD1 4.15Å; V126-L134 HydrophobicContact CG1-CD1 3.6Å; V126-L134 HydrophobicContact CG1-CG 4.4Å; I127-L134 HydrophobicContact CD1-CB 4.38Å; I127-L134 HydrophobicContact CG1-CB 4.28Å; I132-L134 VanDerWaalsContact C-N 3.29Å; I132-L134 HydrophobicContact CB-CG 4.5Å; I132-L134 HydrophobicContact CG2-CD2 4.01Å; I132-L134 HydrophobicContact CG2-CG 3.99Å; I132-L134 PolarHBondContact O-N 3.17Å; L134-D138 WeakPolarHBondContact CA-OD2 3.41Å; L134-D138 HydrophobicContact CB-CB 4.4Å; L134-D138 HydrophobicContact CD2-CB 4.28Å; L134-L142 HydrophobicContact CD1-CD2 3.61Å; L134-L142 HydrophobicContact CD1-CG 4.42Å; L134-V162 HydrophobicContact CD1-CG2 4.24Å; L134-V162 HydrophobicContact CD2-CG1 4.27Å
135E93.8Very high96Very high69 Ų6938.1 Ų38.132%0.32220%0.201SC..  trans-81.6166.2172-60.5-143.2144.400112.3W22 Q26 T137 D138W22-E135 HydrophobicContact CZ2-CG 4.3Å; Q26-E135 PolarHBondContact NE2-OE1 2.86Å; E135-T137 PolarHBondContact O-N 3.05Å; E135-D138 PolarHBondContact N-OD2 2.82Å; E135-D138 PolarHBondContact O-N 3.08Å
136S92.8Very high95.8Very high30 Ų3043.9 Ų43.921%0.2124%0.239CC..THydrogen-bonded Turntrans-69.4-0.7-178.370.80000114.7K117 W119K117-S136 VanDerWaalsContact CE-OG 3.3Å; K117-S136 WeakPolarHBondContact CE-OG 3.42Å; K117-S136 PolarHBondContact NZ-OG 3.44Å; W119-S136 VanDerWaalsContact CZ3-CA 3.47Å; W119-S136 VanDerWaalsContact CZ3-N 3.32Å
137T94.1Very high95.6Very high87 Ų8750.7 Ų50.753%0.53427%0.271SS..THydrogen-bonded Turntrans-105.3-21.1-179.632.90000113.1E135 G139 E140E135-T137 PolarHBondContact O-N 3.05Å; T137-G139 PolarHBondContact O-N 3.1Å; T137-E140 VanDerWaalsContact O-OE2 3.06Å
138D95.3Very high95.6Very high25 Ų2551.2 Ų51.213%0.13427%0.274CS..  trans-73.833.7-169.1-56.80.8000113.6L123 L134 E135 E140 R141L123-D138 HydrophobicContact CD2-CB 4.38Å; L134-D138 WeakPolarHBondContact CA-OD2 3.41Å; L134-D138 HydrophobicContact CB-CB 4.4Å; L134-D138 HydrophobicContact CD2-CB 4.28Å; E135-D138 PolarHBondContact N-OD2 2.82Å; E135-D138 PolarHBondContact O-N 3.08Å; D138-E140 VanDerWaalsContact C-N 3.33Å; D138-E140 WeakPolarHBondContact CA-OE1 3.48Å; D138-E140 PolarHBondContact O-N 2.83Å; D138-R141 HydrophobicContact CB-CB 4.33Å; D138-R141 HydrophobicContact CB-CG 4.29Å; D138-R141 PolarHBondContact O-N 3.11Å
139G94.7Very high95.6Very high14 Ų1455.6 Ų55.614%0.14431%0.305CS..SBendtrans-69.1-32.3-170.500000112.9R120 T137R120-G139 VanDerWaalsContact CZ-O 3.29Å; R120-G139 PolarHBondContact NH1-O 3.3Å; R120-G139 PolarHBondContact NH2-O 2.86Å; T137-G139 PolarHBondContact O-N 3.1Å
140E94.3Very high95.5Very high137 Ų13758.2 Ų58.264%0.6432%0.319SS*.THydrogen-bonded Turntrans-78.2-19.9174.269.8-57127.800113.6T137 D138 L142T137-E140 VanDerWaalsContact O-OE2 3.06Å; D138-E140 VanDerWaalsContact C-N 3.33Å; D138-E140 WeakPolarHBondContact CA-OE1 3.48Å; D138-E140 PolarHBondContact O-N 2.83Å; E140-L142 PolarHBondContact O-N 2.64Å
141R95.5Very high95.5Very high70 Ų7058.1 Ų58.126%0.26433%0.326SS..THydrogen-bonded Turntrans-72.3-12.6169.6-60-170.475.7-168.416.1113.2D138 V162 S163 D168D138-R141 HydrophobicContact CB-CB 4.33Å; D138-R141 HydrophobicContact CB-CG 4.29Å; D138-R141 PolarHBondContact O-N 3.11Å; R141-V162 HydrophobicContact CB-CG1 4.32Å; R141-V162 CarbonylContact O-C 3.55Å; R141-V162 VanDerWaalsContact O-CA 3.31Å; R141-V162 WeakPolarHBondContact O-CA 3.49Å; R141-S163 WeakPolarHBondContact CA-OG 3.42Å; R141-S163 PolarHBondContact O-N 3.4Å; R141-S163 PolarHBondContact O-OG 3.22Å; R141-D168 IonicContact CZ-OD2 3.53Å; R141-D168 IonicContact NH2-OD1 2.67Å; R141-D168 PolarHBondContact NH2-OD1 3.25Å; R141-D168 VanDerWaalsContact NH2-OD1 3.09Å; R141-D168 IonicContact NH2-OD2 3.6Å; R141-D168 PolarHBondContact NH2-OD2 2.73Å
142L97.3Very high95.5Very high18 Ų1860.5 Ų60.59%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-88.6115.1176.7-65.5-164.9000112.1D122 L123 V126 L134 E140 I160 G161 V162D122-L142 HydrophobicContact CB-CD1 3.96Å; D122-L142 WeakPolarHBondContact OD1-CD1 3.48Å; L123-L142 HydrophobicContact CD2-CD1 3.71Å; L123-L142 HydrophobicContact CD2-CG 3.95Å; L123-L142 HydrophobicContact CG-CD1 4.01Å; V126-L142 HydrophobicContact CG2-CD1 4.43Å; V126-L142 HydrophobicContact CG2-CD2 4.14Å; L134-L142 HydrophobicContact CD1-CD2 3.61Å; L134-L142 HydrophobicContact CD1-CG 4.42Å; E140-L142 PolarHBondContact O-N 2.64Å; L142-I160 HydrophobicContact CB-CG2 4.21Å; L142-I160 HydrophobicContact CD1-CG2 3.85Å; L142-I160 HydrophobicContact CD2-CG2 3.92Å; L142-I160 HydrophobicContact CG-CG2 4.22Å; L142-G161 WeakPolarHBondContact CA-O 3.48Å; L142-V162 HydrophobicContact CD2-CG2 3.86Å
143V97.3Very high95.7Very high69 Ų6959.3 Ų59.342%0.41835%0.345SS..EExtended strand (participates in β ladder)trans-100.9153.3171.7-63.20000110.3G161V143-G161 PolarHBondContact N-O 3.19Å; V143-G161 PolarHBondContact O-N 2.88Å
144K96.8Very high95.8Very high51 Ų5157 Ų5722%0.22233%0.33CS..EExtended strand (participates in β ladder)trans-100.4144174.7-56.9-69.3176.9174.80109.7D122 C148 P151 C154 H159 I160D122-K144 IonicContact OD2-NZ 3.23Å; D122-K144 PolarHBondContact OD2-NZ 3.24Å; K144-C148 HydrophobicContact CB-CB 4.31Å; K144-P151 HydrophobicContact CB-CB 4.13Å; K144-P151 VanDerWaalsContact CE-O 3.25Å; K144-P151 WeakPolarHBondContact CE-O 3.28Å; K144-P151 HydrophobicContact CG-CB 3.79Å; K144-C154 PolarHBondContact NZ-O 3.3Å; K144-H159 CarbonylContact C-O 3.59Å; K144-H159 VanDerWaalsContact CA-O 3.29Å; K144-H159 WeakPolarHBondContact CA-O 3.41Å; K144-I160 HydrophobicContact CD-CG1 4.24Å
145S95.4Very high96Very high30 Ų3057 Ų5721%0.2133%0.33CS..PPolyproline II helixtrans-58.7143.1174.31740000110.6Q147 C148 H159S145-Q147 PolarHBondContact O-N 3.3Å; S145-Q147 PolarHBondContact OG-N 3.49Å; S145-C148 WeakPolarHBondContact O-CB 3.34Å; S145-C148 PolarHBondContact O-N 3.25Å; S145-H159 PolarHBondContact N-O 3.29Å
146P95Very high96.2Very high122 Ų12253.7 Ų53.779%0.79231%0.314SS*.THydrogen-bonded Turntrans-56.3-20.2170.6-26.335.6000114.3C148P146-C148 VanDerWaalsContact C-N 3.27Å; P146-C148 PolarHBondContact O-N 2.89Å
147Q94Very high96.4Very high143 Ų14352.4 Ų52.467%0.66831%0.306SS*.THydrogen-bonded Turntrans-79.1-7174.4-64.3164.3-30.300113.1S145 S149S145-Q147 PolarHBondContact O-N 3.3Å; S145-Q147 PolarHBondContact OG-N 3.49Å; Q147-S149 PolarHBondContact O-N 3.44Å
148C97.4Very high96.5Very high10 Ų1052.9 Ų52.97%0.06830%0.302CS..  trans-88.790.8-176.6-1800000111.7K144 S145 P146 N150 C154 H159K144-C148 HydrophobicContact CB-CB 4.31Å; S145-C148 WeakPolarHBondContact O-CB 3.34Å; S145-C148 PolarHBondContact O-N 3.25Å; P146-C148 VanDerWaalsContact C-N 3.27Å; P146-C148 PolarHBondContact O-N 2.89Å; C148-N150 PolarHBondContact O-N 2.82Å; C148-C154 WeakPolarHBondContact SG-CB 3.22Å; C148-C154 VanDerWaalsContact SG-SG 3.63Å; C148-H159 HydrophobicContact CB-CB 3.97Å
149S97.4Very high96.6Very high93 Ų9352 Ų5265%0.6530%0.296SS*.SBendtrans-58.2-16.7177.6590000115.9Q147Q147-S149 PolarHBondContact O-N 3.44Å
150N96.9Very high96.8Very high68 Ų6851.3 Ų51.336%0.36429%0.29SS..  trans-12959.4-172.1-81.5-99.8000112.5L97 C148 G152 L153 C154L97-N150 HydrophobicContact CD2-CB 3.46Å; L97-N150 VanDerWaalsContact CD2-CB 3.46Å; C148-N150 PolarHBondContact O-N 2.82Å; N150-G152 VanDerWaalsContact C-N 3.28Å; N150-G152 PolarHBondContact O-N 3.5Å; N150-G152 VanDerWaalsContact O-N 3.15Å; N150-L153 PolarHBondContact O-N 2.97Å; N150-C154 WeakPolarHBondContact O-CB 3.49Å; N150-C154 PolarHBondContact O-N 3.34Å
151P96.3Very high96.9Very high74 Ų7446 Ų4648%0.48127%0.272SS..THydrogen-bonded Turntrans-60.4-31.2-168.624.5-34.6000114.4K144 L153K144-P151 HydrophobicContact CB-CB 4.13Å; K144-P151 VanDerWaalsContact CE-O 3.25Å; K144-P151 WeakPolarHBondContact CE-O 3.28Å; K144-P151 HydrophobicContact CG-CB 3.79Å; P151-L153 PolarHBondContact O-N 3.06Å
152G96.7Very high96.9Very high51 Ų5144.4 Ų44.453%0.52627%0.27SS..THydrogen-bonded Turntrans-72.6-21.6-17700000116.1N150N150-G152 VanDerWaalsContact C-N 3.28Å; N150-G152 PolarHBondContact O-N 3.5Å; N150-G152 VanDerWaalsContact O-N 3.15Å
153L98.1Very high96.8Very high34 Ų3445.7 Ų45.718%0.17828%0.28CS..THydrogen-bonded Turntrans-132.4-5.1-177-66.3176.7000114S98 P100 M106 N150 P151 V155S98-L153 PolarHBondContact N-O 2.96Å; P100-L153 HydrophobicContact CB-CD1 4.22Å; P100-L153 HydrophobicContact CB-CD2 4Å; M106-L153 VanDerWaalsContact CE-C 3.49Å; N150-L153 PolarHBondContact O-N 2.97Å; P151-L153 PolarHBondContact O-N 3.06Å; L153-V155 PolarHBondContact O-N 3.28Å
154C98.4Very high96.6Very high0 Ų046.9 Ų46.90%029%0.287CS..BIsolated β-bridgetrans-73.9123.3178.3-175.40000112V96 L97 M106 K144 C148 N150V96-C154 WeakPolarHBondContact O-CA 3.38Å; L97-C154 HydrophobicContact CD2-CB 4.19Å; M106-C154 WeakPolarHBondContact CE-O 3.45Å; K144-C154 PolarHBondContact NZ-O 3.3Å; C148-C154 WeakPolarHBondContact SG-CB 3.22Å; C148-C154 VanDerWaalsContact SG-SG 3.63Å; N150-C154 WeakPolarHBondContact O-CB 3.49Å; N150-C154 PolarHBondContact O-N 3.34Å
155V98.2Very high96.3Very high1 Ų152.2 Ų52.21%0.00631%0.31CS..  trans-1092.6-179.1-670000113.5I75 V96 M106 L121 M125 L153 P157I75-V155 HydrophobicContact CG1-CG2 4.2Å; V96-V155 HydrophobicContact CB-CG2 4.46Å; V96-V155 HydrophobicContact CG1-CG2 3.87Å; V96-V155 WeakPolarHBondContact O-CG2 3.26Å; V96-V155 PolarHBondContact O-N 3.38Å; M106-V155 HydrophobicContact CE-CG1 3.65Å; M106-V155 HydrophobicContact SD-CG1 3.43Å; M106-V155 WeakPolarHBondContact SD-CG1 3.37Å; L121-V155 HydrophobicContact CB-CG1 3.86Å; L121-V155 HydrophobicContact CD1-CG1 4.31Å; M125-V155 HydrophobicContact CE-CB 3.67Å; M125-V155 HydrophobicContact CE-CG2 3.64Å; M125-V155 HydrophobicContact CG-CB 4.12Å; M125-V155 WeakPolarHBondContact CG-O 3.42Å; L153-V155 PolarHBondContact O-N 3.28Å; V155-P157 WeakPolarHBondContact O-CD 3.46Å
156Q97.7Very high96.2Very high0 Ų059.2 Ų59.20%034%0.34CS..  trans-61.7119.9-179.817265-21.400111.9T86 C94 V96 H158 H159 I160T86-Q156 PolarHBondContact OG1-NE2 3.45Å; T86-Q156 PolarHBondContact OG1-OE1 2.97Å; C94-Q156 WeakPolarHBondContact O-CG 3.28Å; V96-Q156 HydrophobicContact CB-CB 4.22Å; V96-Q156 HydrophobicContact CG2-CB 4.43Å; Q156-H158 VanDerWaalsContact C-N 3.27Å; Q156-H158 HydrophobicContact CG-CB 4.09Å; Q156-H158 PolarHBondContact NE2-ND1 3.36Å; Q156-H158 PolarHBondContact O-N 2.67Å; Q156-H159 HydrophobicContact CB-CB 4.09Å; Q156-H159 HydrophobicContact CG-CB 4.2Å; Q156-H159 WeakPolarHBondContact O-CA 3.38Å; Q156-H159 PolarHBondContact O-N 3.34Å; Q156-I160 WeakPolarHBondContact O-CD1 3.42Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 3.23Å
157P97.1Very high95.9Very high4 Ų458.5 Ų58.53%0.02633%0.329CS..G310 helixtrans-53.9-40.4-179.5-28.232.4000113.6F83 V87 M125 F129 K130 V155 H159 I160F83-P157 HydrophobicContact CE2-CG 4.47Å; V87-P157 HydrophobicContact CG2-CG 4.49Å; M125-P157 HydrophobicContact CB-CG 4.26Å; F129-P157 HydrophobicContact CB-CB 4.24Å; F129-P157 HydrophobicContact CB-CG 3.95Å; F129-P157 HydrophobicContact CD2-CG 3.81Å; F129-P157 HydrophobicContact CG-CG 4.08Å; K130-P157 WeakPolarHBondContact CE-O 3.48Å; K130-P157 PolarHBondContact NZ-O 2.92Å; V155-P157 WeakPolarHBondContact O-CD 3.46Å; P157-H159 PolarHBondContact O-N 3.5Å; P157-I160 PolarHBondContact O-N 3.12Å; P157-I160 VanDerWaalsContact O-N 3.1Å
158H96.5Very high95.6Very high97 Ų9754.3 Ų54.345%0.44931%0.311SS..G310 helixtrans-63.1-24.9176.9-62.1110.4000113.6T86 P93 Q156T86-H158 PolarHBondContact O-CE1 3.43Å; T86-H158 VanDerWaalsContact O-CE1 3.22Å; P93-H158 HydrophobicContact CB-CB 3.73Å; P93-H158 HydrophobicContact CG-CB 3.72Å; Q156-H158 VanDerWaalsContact C-N 3.27Å; Q156-H158 HydrophobicContact CG-CB 4.09Å; Q156-H158 PolarHBondContact NE2-ND1 3.36Å; Q156-H158 PolarHBondContact O-N 2.67Å
159H97.9Very high95.3Very high5 Ų559.3 Ų59.32%0.02334%0.336CS..G310 helixtrans-91.20.8177-72.2-160.6000113.2C95 K144 S145 C148 Q156 P157C95-H159 PolarHBondContact N-CE1 3.25Å; C95-H159 PolarHBondContact SG-ND1 2.86Å; K144-H159 CarbonylContact C-O 3.59Å; K144-H159 VanDerWaalsContact CA-O 3.29Å; K144-H159 WeakPolarHBondContact CA-O 3.41Å; S145-H159 PolarHBondContact N-O 3.29Å; C148-H159 HydrophobicContact CB-CB 3.97Å; Q156-H159 HydrophobicContact CB-CB 4.09Å; Q156-H159 HydrophobicContact CG-CB 4.2Å; Q156-H159 WeakPolarHBondContact O-CA 3.38Å; Q156-H159 PolarHBondContact O-N 3.34Å; P157-H159 PolarHBondContact O-N 3.5Å
160I98.1Very high94.8Very high1 Ų160.6 Ų60.61%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-115.5107.8-178.1-56.7155.9000109.3D122 M125 V126 K130 L142 K144 Q156 P157D122-I160 HydrophobicContact CB-CD1 3.54Å; D122-I160 HydrophobicContact CB-CG1 4.22Å; M125-I160 HydrophobicContact CB-CD1 4.19Å; V126-I160 HydrophobicContact CG2-CB 3.99Å; V126-I160 HydrophobicContact CG2-CG2 3.43Å; V126-I160 VanDerWaalsContact CG2-CG2 3.43Å; K130-I160 PolarHBondContact NZ-O 3.06Å; L142-I160 HydrophobicContact CB-CG2 4.21Å; L142-I160 HydrophobicContact CD1-CG2 3.85Å; L142-I160 HydrophobicContact CD2-CG2 3.92Å; L142-I160 HydrophobicContact CG-CG2 4.22Å; K144-I160 HydrophobicContact CD-CG1 4.24Å; Q156-I160 WeakPolarHBondContact O-CD1 3.42Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 3.23Å; P157-I160 PolarHBondContact O-N 3.12Å; P157-I160 VanDerWaalsContact O-N 3.1Å
161G96.3Very high94.3Very high26 Ų2660.2 Ų60.227%0.26833%0.325SS..EExtended strand (participates in β ladder)trans-88.5164.5168.600000111.7L142 V143L142-G161 WeakPolarHBondContact CA-O 3.48Å; V143-G161 PolarHBondContact N-O 3.19Å; V143-G161 PolarHBondContact O-N 2.88Å
162V96.3Very high93.7Very high36 Ų3658.9 Ų58.922%0.21832%0.321CS..EExtended strand (participates in β ladder)trans-111130166-176.80000107V126 I132 L134 R141 L142V126-V162 HydrophobicContact CG1-CG2 4.16Å; I132-V162 HydrophobicContact CD1-CG2 3.81Å; I132-V162 HydrophobicContact CG2-CG2 4.49Å; L134-V162 HydrophobicContact CD1-CG2 4.24Å; L134-V162 HydrophobicContact CD2-CG1 4.27Å; R141-V162 HydrophobicContact CB-CG1 4.32Å; R141-V162 CarbonylContact O-C 3.55Å; R141-V162 VanDerWaalsContact O-CA 3.31Å; R141-V162 WeakPolarHBondContact O-CA 3.49Å; L142-V162 HydrophobicContact CD2-CG2 3.86Å
163S95.1Very high93Very high44 Ų4464.3 Ų64.331%0.30833%0.327SS..  trans-77.8131.5172.6530000110.4R141R141-S163 WeakPolarHBondContact CA-OG 3.42Å; R141-S163 PolarHBondContact O-N 3.4Å; R141-S163 PolarHBondContact O-OG 3.22Å
164V92.1Very high92.1Very high95 Ų9565.8 Ų65.858%0.57633%0.332SS*.  trans-111.6125.2-177.9177.60000106.3D168 L169V164-D168 HydrophobicContact CB-CB 4.5Å; V164-D168 HydrophobicContact CG1-CB 3.55Å; V164-L169 HydrophobicContact CG1-CB 4.39Å
165K91.1Very high91Very high162 Ų16267.9 Ų67.970%0.70435%0.345SS*.  trans-87.6166.2176.1-67.2-173.8177-176.60110.8L167 D168 L169K165-L167 PolarHBondContact O-N 3.48Å; K165-D168 PolarHBondContact N-OD2 3.44Å; K165-D168 WeakPolarHBondContact O-CA 3.46Å; K165-D168 WeakPolarHBondContact O-CB 3.38Å; K165-D168 PolarHBondContact O-N 3.3Å; K165-L169 PolarHBondContact O-N 2.63Å
166E92.9Very high89.7Confident177 Ų17774.5 Ų74.583%0.82738%0.375SS*.Hα-helixtrans-53.3-40.9176.8-65.9166.2-179.500112.3L169 Y170E166-L169 PolarHBondContact O-N 3.06Å; E166-Y170 WeakPolarHBondContact O-CB 3.5Å; E166-Y170 PolarHBondContact O-N 3.43Å
167L88.8Confident88.5Confident107 Ų10776.1 Ų76.156%0.5639%0.388SS*.Hα-helixtrans-63.6-41.2173.6-178.762.9000112.9K165 L169 Y170 L171K165-L167 PolarHBondContact O-N 3.48Å; L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 3.36Å; L167-Y170 PolarHBondContact O-N 3.12Å; L167-L171 HydrophobicContact CD1-CD1 4.16Å; L167-L171 HydrophobicContact CD1-CG 4.22Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.32Å
168D89.2Confident87.1Confident55 Ų5576.6 Ų76.629%0.29439%0.393SS..Hα-helixtrans-62-40.4176.3-64.4-52.2000110.3R141 V164 K165 A172R141-D168 IonicContact CZ-OD2 3.53Å; R141-D168 IonicContact NH2-OD1 2.67Å; R141-D168 PolarHBondContact NH2-OD1 3.25Å; R141-D168 VanDerWaalsContact NH2-OD1 3.09Å; R141-D168 IonicContact NH2-OD2 3.6Å; R141-D168 PolarHBondContact NH2-OD2 2.73Å; V164-D168 HydrophobicContact CB-CB 4.5Å; V164-D168 HydrophobicContact CG1-CB 3.55Å; K165-D168 PolarHBondContact N-OD2 3.44Å; K165-D168 WeakPolarHBondContact O-CA 3.46Å; K165-D168 WeakPolarHBondContact O-CB 3.38Å; K165-D168 PolarHBondContact O-N 3.3Å; D168-A172 WeakPolarHBondContact O-CB 3.4Å; D168-A172 PolarHBondContact O-N 3.43Å
169L89.7Confident85.4Confident115 Ų11575.5 Ų75.560%0.60239%0.39SS*.Hα-helixtrans-70-43.1178.8179.362.1000112.4V164 K165 E166 L167 A172 Y173V164-L169 HydrophobicContact CG1-CB 4.39Å; K165-L169 PolarHBondContact O-N 2.63Å; E166-L169 PolarHBondContact O-N 3.06Å; L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 3.36Å; L169-A172 PolarHBondContact O-N 2.91Å; L169-Y173 PolarHBondContact O-N 3.49Å
170Y87.8Confident83.6Confident121 Ų12178.6 Ų78.648%0.47541%0.413SS..Hα-helixtrans-61.4-44.2176.6177.6-110.6000111.8E166 L167 Y173 F174 F205 F209E166-Y170 WeakPolarHBondContact O-CB 3.5Å; E166-Y170 PolarHBondContact O-N 3.43Å; L167-Y170 PolarHBondContact O-N 3.12Å; Y170-Y173 PolarHBondContact O-N 3.16Å; Y170-F174 PolarHBondContact O-N 3.23Å; Y170-F205 AromaticContact CE1-CZ 3.77Å; Y170-F205 HydrophobicContact CE1-CZ 3.77Å; Y170-F205 AromaticContact CZ-CZ 3.8Å; Y170-F205 WeakPolarHBondContact OH-CE2 3.42Å; Y170-F205 VanDerWaalsContact OH-CZ 3.31Å; Y170-F205 WeakPolarHBondContact OH-CZ 3.39Å; Y170-F209 HydrophobicContact CE1-CZ 4.44Å
171L86.3Confident81.6Confident59 Ų5982.5 Ų82.531%0.30944%0.44SS..Hα-helixtrans-63.8-41.6174-69.8170.7000111.9L167 F174 V175 F209L167-L171 HydrophobicContact CD1-CD1 4.16Å; L167-L171 HydrophobicContact CD1-CG 4.22Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.32Å; L171-F174 PolarHBondContact O-N 2.97Å; L171-V175 WeakPolarHBondContact O-CG2 3.28Å; L171-V175 PolarHBondContact O-N 3.21Å; L171-F209 HydrophobicContact CD2-CD1 3.68Å; L171-F209 HydrophobicContact CD2-CE1 3.84Å; L171-F209 HydrophobicContact CD2-CG 4.06Å; L171-F209 HydrophobicContact CD2-CZ 4.38Å
172A83.6Confident79.6Confident47 Ų4788.6 Ų88.639%0.38846%0.461SS..Hα-helixtrans-63-42.7176.500000112.4D168 L169 H176D168-A172 WeakPolarHBondContact O-CB 3.4Å; D168-A172 PolarHBondContact O-N 3.43Å; L169-A172 PolarHBondContact O-N 2.91Å; A172-H176 PolarHBondContact O-CD2 3.34Å; A172-H176 PolarHBondContact O-N 3.47Å; A172-H176 VanDerWaalsContact O-N 3.11Å
173Y82.9Confident77.2Confident165 Ų16591 Ų9165%0.64748%0.48SS*.Hα-helixtrans-60.3-49.1174.3173.6-95.8000111.7L169 Y170 V175 H176 A177L169-Y173 PolarHBondContact O-N 3.49Å; Y170-Y173 PolarHBondContact O-N 3.16Å; Y173-V175 VanDerWaalsContact C-N 3.34Å; Y173-V175 PolarHBondContact O-N 3.02Å; Y173-H176 PolarHBondContact O-N 3.01Å; Y173-A177 PolarHBondContact O-N 3.19Å
174F78.3Confident74.5Confident65 Ų6597 Ų9729%0.28550%0.503SS..Hα-helixtrans-63.4-39.9-177.8-170-85.7000112.4Y170 L171 A177 A178 F205 Q206Y170-F174 PolarHBondContact O-N 3.23Å; L171-F174 PolarHBondContact O-N 2.97Å; F174-A177 PolarHBondContact O-N 3.42Å; F174-A178 HydrophobicContact CE1-CB 4.25Å; F174-A178 WeakPolarHBondContact O-CB 3.17Å; F174-A178 PolarHBondContact O-N 2.84Å; F174-F205 HydrophobicContact CB-CE1 4.08Å; F174-F205 AromaticContact CD1-CD1 3.56Å; F174-F205 HydrophobicContact CD1-CD1 3.56Å; F174-F205 AromaticContact CD1-CE1 3.67Å; F174-F205 HydrophobicContact CD1-CE1 3.67Å; F174-F205 AromaticContact CD2-CD1 3.58Å; F174-F205 HydrophobicContact CD2-CD1 3.58Å; F174-F205 AromaticContact CD2-CE1 3.42Å; F174-F205 HydrophobicContact CD2-CE1 3.42Å; F174-F205 VanDerWaalsContact CD2-CE1 3.42Å; F174-F205 HydrophobicContact CD2-CG 4.25Å; F174-F205 AromaticContact CD2-CZ 3.99Å; F174-F205 HydrophobicContact CD2-CZ 3.99Å; F174-F205 HydrophobicContact CE1-CB 4.34Å; F174-F205 AromaticContact CE1-CD1 3.38Å; F174-F205 HydrophobicContact CE1-CD1 3.38Å; F174-F205 AromaticContact CE1-CE1 4Å; F174-F205 HydrophobicContact CE1-CE1 4Å; F174-F205 HydrophobicContact CE1-CG 4.21Å; F174-F205 HydrophobicContact CE2-CB 4.1Å; F174-F205 AromaticContact CE2-CD1 3.38Å; F174-F205 HydrophobicContact CE2-CD1 3.38Å; F174-F205 HydrophobicContact CE2-CD2 4.37Å; F174-F205 AromaticContact CE2-CE1 3.74Å; F174-F205 HydrophobicContact CE2-CE1 3.74Å; F174-F205 AromaticContact CE2-CG 3.71Å; F174-F205 HydrophobicContact CE2-CG 3.71Å; F174-F205 HydrophobicContact CE2-CZ 4.37Å; F174-F205 AromaticContact CG-CD1 3.68Å; F174-F205 HydrophobicContact CG-CD1 3.68Å; F174-F205 AromaticContact CG-CE1 3.39Å; F174-F205 HydrophobicContact CG-CE1 3.39Å; F174-F205 HydrophobicContact CG-CZ 4.28Å; F174-F205 HydrophobicContact CZ-CB 3.71Å; F174-F205 AromaticContact CZ-CD1 3.29Å; F174-F205 HydrophobicContact CZ-CD1 3.29Å; F174-F205 HydrophobicContact CZ-CE1 4.04Å; F174-F205 AromaticContact CZ-CG 3.7Å; F174-F205 HydrophobicContact CZ-CG 3.7Å; F174-Q206 HydrophobicContact CE1-CG 4.48Å
175V75.6Confident71.9Confident44 Ų4497.4 Ų97.427%0.26751%0.51SS..Hα-helixtrans-63-44.4175.9171.30000111.4L171 Y173 A177 A178 D179 V217L171-V175 WeakPolarHBondContact O-CG2 3.28Å; L171-V175 PolarHBondContact O-N 3.21Å; Y173-V175 VanDerWaalsContact C-N 3.34Å; Y173-V175 PolarHBondContact O-N 3.02Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.08Å; V175-A178 PolarHBondContact O-N 2.85Å; V175-D179 PolarHBondContact O-N 3.3Å; V175-V217 HydrophobicContact CG1-CB 3.78Å; V175-V217 HydrophobicContact CG1-CG1 3.9Å; V175-V217 HydrophobicContact CG1-CG2 3.97Å; V175-V217 HydrophobicContact CG2-CG2 4.23Å
176H71.4Confident69.6Low140 Ų14095.9 Ų95.965%0.64852%0.517SS*.Hα-helixtrans-62.5-38.7175.4-87.6-65.8000112.8A172 Y173 S180A172-H176 PolarHBondContact O-CD2 3.34Å; A172-H176 PolarHBondContact O-N 3.47Å; A172-H176 VanDerWaalsContact O-N 3.11Å; Y173-H176 PolarHBondContact O-N 3.01Å; H176-S180 PolarHBondContact O-N 3.35Å; H176-S180 VanDerWaalsContact O-N 3.13Å
177A72.3Confident67.2Low33 Ų3392.8 Ų92.827%0.27351%0.514SS..Hα-helixtrans-63.7-46.2174.800000111.6Y173 F174 V175 S180 S181Y173-A177 PolarHBondContact O-N 3.19Å; F174-A177 PolarHBondContact O-N 3.42Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.08Å; A177-S180 PolarHBondContact O-N 2.78Å; A177-S180 PolarHBondContact O-OG 3.02Å; A177-S181 PolarHBondContact O-N 3.05Å; A177-S181 PolarHBondContact O-OG 2.81Å
178A67.9Low64.8Low15 Ų1596.2 Ų96.212%0.12453%0.528CS..Hα-helixtrans-62.6-42.917900000113.1F174 V175 S180 S181F174-A178 HydrophobicContact CE1-CB 4.25Å; F174-A178 WeakPolarHBondContact O-CB 3.17Å; F174-A178 PolarHBondContact O-N 2.84Å; V175-A178 PolarHBondContact O-N 2.85Å; A178-S180 VanDerWaalsContact C-N 3.29Å; A178-S180 PolarHBondContact O-N 2.85Å; A178-S181 PolarHBondContact O-N 2.94Å; A178-S181 PolarHBondContact O-OG 3.12Å
179D60.6Low62.7Low74 Ų7499.6 Ų99.640%0.39655%0.552SS.*Hα-helixtrans-62.2-37.3174.7-79-16.1000111.2V175 T218V175-D179 PolarHBondContact O-N 3.3Å; D179-T218 VanDerWaalsContact OD2-CG2 3.31Å; D179-T218 WeakPolarHBondContact OD2-CG2 3.44Å
180S59.8Low60.1Low70 Ų7099.3 Ų99.349%0.4956%0.56SS.*Hα-helixtrans-67.9-41.1177.972.70000113H176 A177 A178 Q182 S183H176-S180 PolarHBondContact O-N 3.35Å; H176-S180 VanDerWaalsContact O-N 3.13Å; A177-S180 PolarHBondContact O-N 2.78Å; A177-S180 PolarHBondContact O-OG 3.02Å; A178-S180 VanDerWaalsContact C-N 3.29Å; A178-S180 PolarHBondContact O-N 2.85Å; S180-Q182 PolarHBondContact O-N 3.04Å; S180-S183 PolarHBondContact O-N 3.36Å; S180-S183 VanDerWaalsContact O-N 3.09Å; S180-S183 PolarHBondContact O-OG 2.93Å
181S56.4Low58Low82 Ų82102 Ų10257%0.57358%0.583SS**Hα-helixtrans-69.5-11.6-177.859.50000114.8A177 A178A177-S181 PolarHBondContact O-N 3.05Å; A177-S181 PolarHBondContact O-OG 2.81Å; A178-S181 PolarHBondContact O-N 2.94Å; A178-S181 PolarHBondContact O-OG 3.12Å
182Q54.8Low55.8Low154 Ų154103.4 Ų103.472%0.7260%0.603SS**THydrogen-bonded Turntrans-92.9-1.5174.2-64.6-172.410.700113.3S180S180-Q182 PolarHBondContact O-N 3.04Å
183S44.2Very low54.2Low88 Ų88108.5 Ų108.562%0.61562%0.623SS**SBendtrans-93.1-13-175.669.60000114.9S180 S185S180-S183 PolarHBondContact O-N 3.36Å; S180-S183 VanDerWaalsContact O-N 3.09Å; S180-S183 PolarHBondContact O-OG 2.93Å; S183-S185 PolarHBondContact O-N 3.4Å
184E39.6Very low52.7Low169 Ų169108 Ų10879%0.7963%0.63SS**  trans-82.7103.8174.7-65.7-169104.500110.6P186E184-P186 WeakPolarHBondContact O-CD 3.41Å
185S36.1Very low51.2Low103 Ų103114.2 Ų114.272%0.7266%0.657SS**  trans-81118.6175.8-640000111.5S183 S187S183-S185 PolarHBondContact O-N 3.4Å; S185-S187 PolarHBondContact O-N 2.97Å; S185-S187 VanDerWaalsContact O-N 3.13Å
186P44.3Very low49.5Very low130 Ų130119.4 Ų119.484%0.84468%0.684SS**  trans-76.7101.1178.130.4-33.8000110.8E184E184-P186 WeakPolarHBondContact O-CD 3.41Å
187S42.8Very low48.3Very low112 Ų112119.7 Ų119.778%0.78369%0.685SS**  trans-101.466-17549.80000114S185S185-S187 PolarHBondContact O-N 2.97Å; S185-S187 VanDerWaalsContact O-N 3.13Å
188Q37.9Very low46.9Very low180 Ų180123.8 Ų123.884%0.84171%0.709SS**  trans-158.9143.1146.7-80.6-141.7-32.700111.7
189P43.7Very low46Very low125 Ų125130.9 Ų130.981%0.81274%0.74SS**  trans-89.9135.8166.234.7-30000111.2
190S36.8Very low45Very low109 Ų109134.6 Ų134.676%0.76276%0.76SS**  trans-143.9116.5166.259.30000109.8A192S190-A192 PolarHBondContact O-N 3.31Å
191D43.7Very low44.2Very low178 Ų178134.9 Ų134.995%0.95277%0.773SS**  trans-61.5122.5174.8-71.6-79000111.2
192A38.6Very low43.5Very low88 Ų88139.3 Ų139.373%0.72779%0.785SS**  trans-1489716700000108.6S190 I194S190-A192 PolarHBondContact O-N 3.31Å; A192-I194 PolarHBondContact O-N 2.88Å; A192-I194 VanDerWaalsContact O-N 3.17Å
193D51.7Low43.1Very low154 Ų154138 Ų13882%0.82478%0.782SS**  trans-66.6110167.5-172.3-50.7000108.4
194I49.8Very low43.7Very low154 Ų154135.1 Ų135.179%0.7977%0.767SS**  trans-143.4114.5154.3-97.1142.5000107.8A192 D196A192-I194 PolarHBondContact O-N 2.88Å; A192-I194 VanDerWaalsContact O-N 3.17Å; I194-D196 PolarHBondContact O-N 3.2Å
195K47.3Very low44.4Very low196 Ų196130.2 Ų130.285%0.85274%0.743SS**  trans-73.9107.1167.6169.9-159.4171-171.40109.2
196D40.8Very low45.5Very low153 Ų153131.4 Ų131.482%0.81874%0.737SS**  trans-147142.8152.4-128.2-37.8000112.9I194I194-D196 PolarHBondContact O-N 3.2Å
197Q46.2Very low46.5Very low146 Ų146130.4 Ų130.468%0.68272%0.724SS**  trans-129.1112.1-169.8178.9-165.61600109.6E199Q197-E199 HydrophobicContact CG-CG 4.41Å; Q197-E199 PolarHBondContact O-N 3.19Å
198P43.1Very low47.9Very low120 Ų120129 Ų12978%0.77971%0.714SS**  trans-77.988.216631.3-31.4000109.7N200P198-N200 PolarHBondContact O-N 3.01Å
199E47.6Very low49.5Very low164 Ų164124 Ų12477%0.76669%0.69SS**  trans-65.986.2154.7-84.7-157.2128.500108.6Q197Q197-E199 HydrophobicContact CG-CG 4.41Å; Q197-E199 PolarHBondContact O-N 3.19Å
200N40.1Very low50.7Low152 Ų152124.8 Ų124.881%0.81369%0.692SS**  trans-150.3133.6163.8-116.8-49.1000110.4P198 H202P198-N200 PolarHBondContact O-N 3.01Å; N200-H202 VanDerWaalsContact C-N 3.25Å; N200-H202 PolarHBondContact O-N 3.17Å
201G43Very low52.5Low75 Ų75123.9 Ų123.977%0.77368%0.682SS**  trans-75.465.6-169.300000114L203G201-L203 PolarHBondContact O-N 2.93Å
202H42.1Very low53.9Low176 Ų176120.4 Ų120.482%0.81567%0.672SS**  trans-70.981.8162.3-162.9-27.6000108.6N200 G204N200-H202 VanDerWaalsContact C-N 3.25Å; N200-H202 PolarHBondContact O-N 3.17Å; H202-G204 PolarHBondContact O-N 2.77Å
203L46.1Very low56.1Low125 Ų125117.7 Ų117.765%0.65465%0.652SS**  trans-46.1126.8160.5-68.7173.5000107.5G201 D207G201-L203 PolarHBondContact O-N 2.93Å; L203-D207 HydrophobicContact CB-CB 4.23Å; L203-D207 HydrophobicContact CD2-CB 4.36Å
204G56.8Low58Low29 Ų29111 Ų11130%0.29962%0.617SS.*  trans-61.6150.7177.500000108.9H202 Q206 D207H202-G204 PolarHBondContact O-N 2.77Å; G204-Q206 PolarHBondContact O-N 3.32Å; G204-D207 PolarHBondContact N-OD2 3.49Å; G204-D207 WeakPolarHBondContact O-CB 3.4Å; G204-D207 PolarHBondContact O-N 3.03Å
205F54.6Low59.9Low65 Ų65104.7 Ų104.729%0.28558%0.584SS.*G310 helixtrans-56-27.3174.1-176.8-86.9000111.6Y170 F174 D207 S208 F209Y170-F205 AromaticContact CE1-CZ 3.77Å; Y170-F205 HydrophobicContact CE1-CZ 3.77Å; Y170-F205 AromaticContact CZ-CZ 3.8Å; Y170-F205 WeakPolarHBondContact OH-CE2 3.42Å; Y170-F205 VanDerWaalsContact OH-CZ 3.31Å; Y170-F205 WeakPolarHBondContact OH-CZ 3.39Å; F174-F205 HydrophobicContact CB-CE1 4.08Å; F174-F205 AromaticContact CD1-CD1 3.56Å; F174-F205 HydrophobicContact CD1-CD1 3.56Å; F174-F205 AromaticContact CD1-CE1 3.67Å; F174-F205 HydrophobicContact CD1-CE1 3.67Å; F174-F205 AromaticContact CD2-CD1 3.58Å; F174-F205 HydrophobicContact CD2-CD1 3.58Å; F174-F205 AromaticContact CD2-CE1 3.42Å; F174-F205 HydrophobicContact CD2-CE1 3.42Å; F174-F205 VanDerWaalsContact CD2-CE1 3.42Å; F174-F205 HydrophobicContact CD2-CG 4.25Å; F174-F205 AromaticContact CD2-CZ 3.99Å; F174-F205 HydrophobicContact CD2-CZ 3.99Å; F174-F205 HydrophobicContact CE1-CB 4.34Å; F174-F205 AromaticContact CE1-CD1 3.38Å; F174-F205 HydrophobicContact CE1-CD1 3.38Å; F174-F205 AromaticContact CE1-CE1 4Å; F174-F205 HydrophobicContact CE1-CE1 4Å; F174-F205 HydrophobicContact CE1-CG 4.21Å; F174-F205 HydrophobicContact CE2-CB 4.1Å; F174-F205 AromaticContact CE2-CD1 3.38Å; F174-F205 HydrophobicContact CE2-CD1 3.38Å; F174-F205 HydrophobicContact CE2-CD2 4.37Å; F174-F205 AromaticContact CE2-CE1 3.74Å; F174-F205 HydrophobicContact CE2-CE1 3.74Å; F174-F205 AromaticContact CE2-CG 3.71Å; F174-F205 HydrophobicContact CE2-CG 3.71Å; F174-F205 HydrophobicContact CE2-CZ 4.37Å; F174-F205 AromaticContact CG-CD1 3.68Å; F174-F205 HydrophobicContact CG-CD1 3.68Å; F174-F205 AromaticContact CG-CE1 3.39Å; F174-F205 HydrophobicContact CG-CE1 3.39Å; F174-F205 HydrophobicContact CG-CZ 4.28Å; F174-F205 HydrophobicContact CZ-CB 3.71Å; F174-F205 AromaticContact CZ-CD1 3.29Å; F174-F205 HydrophobicContact CZ-CD1 3.29Å; F174-F205 HydrophobicContact CZ-CE1 4.04Å; F174-F205 AromaticContact CZ-CG 3.7Å; F174-F205 HydrophobicContact CZ-CG 3.7Å; F205-D207 VanDerWaalsContact C-N 3.35Å; F205-D207 PolarHBondContact O-N 2.92Å; F205-S208 VanDerWaalsContact O-CB 3.31Å; F205-S208 WeakPolarHBondContact O-CB 3.4Å; F205-S208 PolarHBondContact O-N 3.19Å; F205-F209 HydrophobicContact CD1-CD2 4.15Å; F205-F209 AromaticContact CD1-CE2 3.81Å; F205-F209 HydrophobicContact CD1-CE2 3.81Å; F205-F209 HydrophobicContact CD2-CE2 4.42Å; F205-F209 AromaticContact CE1-CD2 3.91Å; F205-F209 HydrophobicContact CE1-CD2 3.91Å; F205-F209 AromaticContact CE1-CE2 3.29Å; F205-F209 HydrophobicContact CE1-CE2 3.29Å; F205-F209 HydrophobicContact CE1-CZ 4.11Å; F205-F209 AromaticContact CE2-CE2 3.96Å; F205-F209 HydrophobicContact CE2-CE2 3.96Å; F205-F209 HydrophobicContact CE2-CZ 4.47Å; F205-F209 HydrophobicContact CG-CE2 4.37Å; F205-F209 HydrophobicContact CZ-CD2 4.42Å; F205-F209 AromaticContact CZ-CE2 3.39Å; F205-F209 HydrophobicContact CZ-CE2 3.39Å; F205-F209 AromaticContact CZ-CZ 3.85Å; F205-F209 HydrophobicContact CZ-CZ 3.85Å; F205-F209 VanDerWaalsContact O-CD2 3.29Å; F205-F209 WeakPolarHBondContact O-CD2 3.09Å
206Q58.8Low61.8Low129 Ų12997.8 Ų97.860%0.60356%0.56SS**G310 helixtrans-62.1-35.4171.8-60-171.410.800113.6F174 G204 S208 F209F174-Q206 HydrophobicContact CE1-CG 4.48Å; G204-Q206 PolarHBondContact O-N 3.32Å; Q206-S208 PolarHBondContact O-N 3.14Å; Q206-F209 PolarHBondContact O-N 3.36Å; Q206-F209 VanDerWaalsContact O-N 3.13Å
207D65.2Low63.9Low109 Ų10993.8 Ų93.858%0.58354%0.541SS*.G310 helixtrans-67.5-17.8177.7-58.6-43.4000112.3L203 G204 F205 F209L203-D207 HydrophobicContact CB-CB 4.23Å; L203-D207 HydrophobicContact CD2-CB 4.36Å; G204-D207 PolarHBondContact N-OD2 3.49Å; G204-D207 WeakPolarHBondContact O-CB 3.4Å; G204-D207 PolarHBondContact O-N 3.03Å; F205-D207 VanDerWaalsContact C-N 3.35Å; F205-D207 PolarHBondContact O-N 2.92Å; D207-F209 VanDerWaalsContact C-N 3.27Å; D207-F209 PolarHBondContact O-N 3.43Å
208S72.2Confident65.7Low82 Ų8289.7 Ų89.757%0.57353%0.526SS*.G310 helixtrans-75.6-10.7175-56.60000113.5F205 Q206F205-S208 VanDerWaalsContact O-CB 3.31Å; F205-S208 WeakPolarHBondContact O-CB 3.4Å; F205-S208 PolarHBondContact O-N 3.19Å; Q206-S208 PolarHBondContact O-N 3.14Å
209F71.3Confident67.9Low76 Ų7686.2 Ų86.233%0.33350%0.5SS..  trans-128.997.1-173.1-63.1-82.6000113.8Y170 L171 F205 Q206 D207 T211Y170-F209 HydrophobicContact CE1-CZ 4.44Å; L171-F209 HydrophobicContact CD2-CD1 3.68Å; L171-F209 HydrophobicContact CD2-CE1 3.84Å; L171-F209 HydrophobicContact CD2-CG 4.06Å; L171-F209 HydrophobicContact CD2-CZ 4.38Å; F205-F209 HydrophobicContact CD1-CD2 4.15Å; F205-F209 AromaticContact CD1-CE2 3.81Å; F205-F209 HydrophobicContact CD1-CE2 3.81Å; F205-F209 HydrophobicContact CD2-CE2 4.42Å; F205-F209 AromaticContact CE1-CD2 3.91Å; F205-F209 HydrophobicContact CE1-CD2 3.91Å; F205-F209 AromaticContact CE1-CE2 3.29Å; F205-F209 HydrophobicContact CE1-CE2 3.29Å; F205-F209 HydrophobicContact CE1-CZ 4.11Å; F205-F209 AromaticContact CE2-CE2 3.96Å; F205-F209 HydrophobicContact CE2-CE2 3.96Å; F205-F209 HydrophobicContact CE2-CZ 4.47Å; F205-F209 HydrophobicContact CG-CE2 4.37Å; F205-F209 HydrophobicContact CZ-CD2 4.42Å; F205-F209 AromaticContact CZ-CE2 3.39Å; F205-F209 HydrophobicContact CZ-CE2 3.39Å; F205-F209 AromaticContact CZ-CZ 3.85Å; F205-F209 HydrophobicContact CZ-CZ 3.85Å; F205-F209 VanDerWaalsContact O-CD2 3.29Å; F205-F209 WeakPolarHBondContact O-CD2 3.09Å; Q206-F209 PolarHBondContact O-N 3.36Å; Q206-F209 VanDerWaalsContact O-N 3.13Å; D207-F209 VanDerWaalsContact C-N 3.27Å; D207-F209 PolarHBondContact O-N 3.43Å; F209-T211 PolarHBondContact O-N 3.3Å; F209-T211 VanDerWaalsContact O-N 3.09Å
210V69.3Low69.9Low140 Ų14080.3 Ų80.385%0.84847%0.473SS*.  trans-73.1102.9172.4-175.80000110.7
211T74.3Confident72.2Confident90 Ų9076.6 Ų76.655%0.55246%0.456SS*.  trans-65.2135.8172.555.40000111.5K42 F209K42-T211 VanDerWaalsContact CE-O 3.26Å; K42-T211 WeakPolarHBondContact CE-O 3.32Å; K42-T211 PolarHBondContact NZ-O 3.15Å; K42-T211 PolarHBondContact NZ-OG1 2.91Å; F209-T211 PolarHBondContact O-N 3.3Å; F209-T211 VanDerWaalsContact O-N 3.09Å
212S74Confident74.4Confident105 Ų10580 Ų8073%0.73445%0.446SS*.SBendtrans-79.3-16.8176.8-167.30000113.7
213G84.1Confident76.7Confident31 Ų3172.9 Ų72.932%0.3241%0.414SS..SBendtrans-97.5178.4-178.100000114.9K42K42-G213 PolarHBondContact NZ-O 3.09Å
214V90.5Very high78.8Confident13 Ų1368 Ų688%0.07939%0.39CS..SBendtrans-1186174.7-75.70000114.4L25 K42 E45 R46 K49L25-V214 HydrophobicContact CD2-CG2 4.08Å; K42-V214 HydrophobicContact CD-CG1 4.12Å; K42-V214 WeakPolarHBondContact O-CG1 3.47Å; E45-V214 HydrophobicContact CB-CB 4.31Å; E45-V214 HydrophobicContact CB-CG1 3.4Å; E45-V214 HydrophobicContact CB-CG2 4.03Å; E45-V214 HydrophobicContact CG-CG1 4.4Å; R46-V214 HydrophobicContact CB-CB 4.45Å; R46-V214 HydrophobicContact CB-CG1 4.34Å; K49-V214 HydrophobicContact CB-CG2 4.08Å; K49-V214 HydrophobicContact CD-CB 4.45Å; K49-V214 HydrophobicContact CD-CG2 4.12Å; K49-V214 WeakPolarHBondContact CD-O 3.25Å; K49-V214 HydrophobicContact CG-CG2 4.4Å; K49-V214 PolarHBondContact NZ-O 2.95Å
215F90.6Very high80.4Confident22 Ų2272.3 Ų72.310%0.09640%0.403CS..SBendtrans-94.6140.4166.3-62.3-96.8000109.6F18 T21 W22 L25 K49 L53 E219 L220 V223F18-F215 HydrophobicContact CD2-CE1 4.3Å; F18-F215 HydrophobicContact CD2-CZ 4.22Å; F18-F215 HydrophobicContact CE2-CE1 4.04Å; F18-F215 HydrophobicContact CE2-CE2 4.01Å; F18-F215 AromaticContact CE2-CZ 3.7Å; F18-F215 HydrophobicContact CE2-CZ 3.7Å; T21-F215 HydrophobicContact CG2-CZ 3.96Å; W22-F215 HydrophobicContact CE3-CE2 4.1Å; W22-F215 HydrophobicContact CZ3-CD2 4.41Å; W22-F215 HydrophobicContact CZ3-CE2 4.2Å; L25-F215 HydrophobicContact CD2-CE2 3.87Å; K49-F215 HydrophobicContact CD-CD1 3.74Å; K49-F215 HydrophobicContact CD-CD2 4.14Å; K49-F215 HydrophobicContact CD-CE1 3.74Å; K49-F215 HydrophobicContact CD-CE2 4.14Å; K49-F215 HydrophobicContact CD-CG 3.95Å; K49-F215 HydrophobicContact CD-CZ 3.94Å; K49-F215 HydrophobicContact CG-CD1 4.3Å; K49-F215 HydrophobicContact CG-CE1 3.76Å; K49-F215 HydrophobicContact CG-CE2 3.99Å; K49-F215 HydrophobicContact CG-CZ 3.59Å; L53-F215 HydrophobicContact CD1-CE1 4.3Å; F215-E219 WeakPolarHBondContact CA-OE2 3.19Å; F215-E219 HydrophobicContact CB-CB 4.43Å; F215-E219 HydrophobicContact CD1-CB 4.38Å; F215-L220 HydrophobicContact CB-CD1 4.35Å; F215-L220 HydrophobicContact CB-CD2 3.67Å; F215-L220 HydrophobicContact CB-CG 3.6Å; F215-L220 HydrophobicContact CD1-CD2 4.16Å; F215-L220 HydrophobicContact CD2-CD2 4.11Å; F215-L220 HydrophobicContact CG-CD2 3.74Å; F215-L220 HydrophobicContact CG-CG 4.22Å; F215-V223 HydrophobicContact CD1-CG2 4.31Å; F215-V223 HydrophobicContact CE1-CG2 4.1Å
216S87.6Confident82.1Confident51 Ų5172.3 Ų72.336%0.35741%0.408SS..  trans-73.3166.6159.477.20000110.4T218 E219 L220S216-T218 PolarHBondContact OG-N 2.67Å; S216-T218 PolarHBondContact OG-OG1 2.86Å; S216-E219 PolarHBondContact N-OE2 3.47Å; S216-E219 PolarHBondContact O-N 2.86Å; S216-E219 WeakPolarHBondContact OG-CB 3.12Å; S216-E219 WeakPolarHBondContact OG-CG 3.4Å; S216-E219 PolarHBondContact OG-N 2.76Å; S216-L220 WeakPolarHBondContact O-CG 3.42Å; S216-L220 PolarHBondContact O-N 3.2Å
217V84.3Confident83.8Confident70 Ų7068.3 Ų68.342%0.42439%0.394SS..Hα-helixtrans-66.4-41.1173.6-179.30000110.9V175 E219 L220 V221V175-V217 HydrophobicContact CG1-CB 3.78Å; V175-V217 HydrophobicContact CG1-CG1 3.9Å; V175-V217 HydrophobicContact CG1-CG2 3.97Å; V175-V217 HydrophobicContact CG2-CG2 4.23Å; V217-E219 VanDerWaalsContact C-N 3.29Å; V217-E219 PolarHBondContact O-N 2.89Å; V217-L220 PolarHBondContact O-N 2.81Å; V217-L220 VanDerWaalsContact O-N 3.13Å; V217-V221 HydrophobicContact CG1-CG2 4.25Å; V217-V221 WeakPolarHBondContact O-CG2 3.1Å; V217-V221 PolarHBondContact O-N 2.97Å
218T84.5Confident85.1Confident60 Ų6063.5 Ų63.537%0.36837%0.368SS..Hα-helixtrans-62-32.7174.552.10000113D179 S216 R222D179-T218 VanDerWaalsContact OD2-CG2 3.31Å; D179-T218 WeakPolarHBondContact OD2-CG2 3.44Å; S216-T218 PolarHBondContact OG-N 2.67Å; S216-T218 PolarHBondContact OG-OG1 2.86Å; T218-R222 WeakPolarHBondContact O-CB 3.43Å; T218-R222 PolarHBondContact O-N 3.14Å
219E88.9Confident85.8Confident47 Ų4760 Ų6022%0.2234%0.344CS..Hα-helixtrans-68.9-49.9168-76.1-177.7145.300112K49 F215 S216 V217 V221 R222 V223K49-E219 IonicContact NZ-OE1 3.4Å; K49-E219 PolarHBondContact NZ-OE1 2.93Å; K49-E219 IonicContact NZ-OE2 2.71Å; K49-E219 PolarHBondContact NZ-OE2 3.22Å; F215-E219 WeakPolarHBondContact CA-OE2 3.19Å; F215-E219 HydrophobicContact CB-CB 4.43Å; F215-E219 HydrophobicContact CD1-CB 4.38Å; S216-E219 PolarHBondContact N-OE2 3.47Å; S216-E219 PolarHBondContact O-N 2.86Å; S216-E219 WeakPolarHBondContact OG-CB 3.12Å; S216-E219 WeakPolarHBondContact OG-CG 3.4Å; S216-E219 PolarHBondContact OG-N 2.76Å; V217-E219 VanDerWaalsContact C-N 3.29Å; V217-E219 PolarHBondContact O-N 2.89Å; E219-V221 PolarHBondContact O-N 2.99Å; E219-R222 WeakPolarHBondContact O-CB 3.24Å; E219-R222 PolarHBondContact O-N 3.11Å; E219-R222 VanDerWaalsContact O-N 3.13Å; E219-V223 WeakPolarHBondContact O-CG2 3.3Å; E219-V223 PolarHBondContact O-N 3.42Å
220L89.5Confident85.7Confident40 Ų4059.6 Ų59.621%0.20935%0.354CS..Hα-helixtrans-55.9-48.3-179.7-77.6174.3000111.7F18 P133 F215 S216 V217 R222 V223 S224F18-L220 HydrophobicContact CE2-CD2 4.03Å; F18-L220 HydrophobicContact CZ-CD2 4.1Å; P133-L220 HydrophobicContact CB-CD2 4.24Å; P133-L220 HydrophobicContact CG-CD1 4.26Å; P133-L220 HydrophobicContact CG-CD2 4.27Å; F215-L220 HydrophobicContact CB-CD1 4.35Å; F215-L220 HydrophobicContact CB-CD2 3.67Å; F215-L220 HydrophobicContact CB-CG 3.6Å; F215-L220 HydrophobicContact CD1-CD2 4.16Å; F215-L220 HydrophobicContact CD2-CD2 4.11Å; F215-L220 HydrophobicContact CG-CD2 3.74Å; F215-L220 HydrophobicContact CG-CG 4.22Å; S216-L220 WeakPolarHBondContact O-CG 3.42Å; S216-L220 PolarHBondContact O-N 3.2Å; V217-L220 PolarHBondContact O-N 2.81Å; V217-L220 VanDerWaalsContact O-N 3.13Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.93Å; L220-V223 PolarHBondContact O-N 2.84Å; L220-S224 WeakPolarHBondContact O-CB 3.33Å; L220-S224 PolarHBondContact O-N 3.16Å; L220-S224 PolarHBondContact O-OG 2.81Å
221V87.9Confident84.9Confident74 Ų7456.8 Ų56.845%0.44835%0.354SS..Hα-helixtrans-57.1-45.9177.2172.20000110.3V217 E219 S224 Q225V217-V221 HydrophobicContact CG1-CG2 4.25Å; V217-V221 WeakPolarHBondContact O-CG2 3.1Å; V217-V221 PolarHBondContact O-N 2.97Å; E219-V221 PolarHBondContact O-N 2.99Å; V221-S224 PolarHBondContact O-OG 3.31Å; V221-Q225 VanDerWaalsContact O-CG 3.26Å; V221-Q225 WeakPolarHBondContact O-CG 3.43Å
222R90.2Very high83.6Confident147 Ų14756.8 Ų56.856%0.55535%0.354SS*.Hα-helixtrans-64-51179.2-164.6-170.1-50.4117.77112.7T218 E219 L220 T226T218-R222 WeakPolarHBondContact O-CB 3.43Å; T218-R222 PolarHBondContact O-N 3.14Å; E219-R222 WeakPolarHBondContact O-CB 3.24Å; E219-R222 PolarHBondContact O-N 3.11Å; E219-R222 VanDerWaalsContact O-N 3.13Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.93Å; R222-T226 PolarHBondContact O-OG1 2.79Å
223V90Very high81.9Confident25 Ų2554.3 Ų54.315%0.15235%0.345CS..Hα-helixtrans-78.4-30.9-173.2-570000113.3F18 L53 F215 E219 L220 Q225F18-V223 HydrophobicContact CB-CB 4.37Å; F18-V223 HydrophobicContact CB-CG2 4.12Å; F18-V223 WeakPolarHBondContact CB-O 3.34Å; F18-V223 HydrophobicContact CD2-CB 4.46Å; F18-V223 HydrophobicContact CD2-CG2 3.47Å; F18-V223 VanDerWaalsContact CD2-CG2 3.47Å; F18-V223 HydrophobicContact CE2-CG2 4.22Å; F18-V223 HydrophobicContact CG-CG2 4.05Å; L53-V223 HydrophobicContact CD2-CG1 4.12Å; F215-V223 HydrophobicContact CD1-CG2 4.31Å; F215-V223 HydrophobicContact CE1-CG2 4.1Å; E219-V223 WeakPolarHBondContact O-CG2 3.3Å; E219-V223 PolarHBondContact O-N 3.42Å; L220-V223 PolarHBondContact O-N 2.84Å; V223-Q225 VanDerWaalsContact C-N 3.29Å; V223-Q225 PolarHBondContact O-N 2.91Å
224S90.3Very high80Confident23 Ų2359 Ų5916%0.16137%0.37CS..Hα-helixtrans-69.4-26.7179.661.40000112.9R16 G131 L220 V221R16-S224 WeakPolarHBondContact CB-O 3.39Å; R16-S224 VanDerWaalsContact CD-O 3.23Å; R16-S224 WeakPolarHBondContact CD-O 3.46Å; R16-S224 WeakPolarHBondContact CG-O 3.48Å; G131-S224 VanDerWaalsContact O-CB 3.3Å; G131-S224 WeakPolarHBondContact O-CB 3.37Å; L220-S224 WeakPolarHBondContact O-CB 3.33Å; L220-S224 PolarHBondContact O-N 3.16Å; L220-S224 PolarHBondContact O-OG 2.81Å; V221-S224 PolarHBondContact O-OG 3.31Å
225Q90.3Very high77.5Confident120 Ų12066 Ų6656%0.56141%0.407SS*.Hα-helixtrans-77.2-38.1178.3-70.2176.615.400112.5R16 V221 V223 P227R16-Q225 PolarHBondContact NH1-O 3.31Å; V221-Q225 VanDerWaalsContact O-CG 3.26Å; V221-Q225 WeakPolarHBondContact O-CG 3.43Å; V223-Q225 VanDerWaalsContact C-N 3.29Å; V223-Q225 PolarHBondContact O-N 2.91Å; Q225-P227 VanDerWaalsContact O-CD 3.29Å; Q225-P227 WeakPolarHBondContact O-CD 3.44Å
226T91.4Very high74.8Confident64 Ų6472.2 Ų72.239%0.39343%0.434SS..SBendtrans-61.8121-174.2-53.70000113.4R16 A17 R222 A230R16-T226 WeakPolarHBondContact CA-O 3.35Å; A17-T226 HydrophobicContact CB-CG2 4.48Å; A17-T226 WeakPolarHBondContact CB-O 3.26Å; A17-T226 PolarHBondContact N-O 3.47Å; R222-T226 PolarHBondContact O-OG1 2.79Å; T226-A230 HydrophobicContact CG2-CB 3.96Å
227P93.3Very high72.3Confident46 Ų4672.4 Ų72.430%0.29944%0.436SS..BIsolated β-bridgetrans-65.2150.8170-23.535.2000113.6P13 V15 Q225 A229 A230P13-P227 WeakPolarHBondContact O-CB 3.2Å; V15-P227 CarbonylContact O-C 3.59Å; V15-P227 WeakPolarHBondContact O-CA 3.49Å; Q225-P227 VanDerWaalsContact O-CD 3.29Å; Q225-P227 WeakPolarHBondContact O-CD 3.44Å; P227-A229 PolarHBondContact O-N 3.3Å; P227-A230 HydrophobicContact CB-CB 4.33Å; P227-A230 WeakPolarHBondContact O-CB 3.45Å; P227-A230 PolarHBondContact O-N 3.01Å; P227-A230 VanDerWaalsContact O-N 3.13Å
228I92.9Very high70.1Confident7 Ų775.4 Ų75.44%0.03645%0.449CS..THydrogen-bonded Turntrans-73.2-15.9178.8-151.4170.1000113.2L12 V15 A17 K60 Q61 W63 A64L12-I228 HydrophobicContact CD1-CG2 3.75Å; L12-I228 HydrophobicContact CG-CG2 4.28Å; L12-I228 WeakPolarHBondContact O-CG2 3.31Å; V15-I228 HydrophobicContact CB-CG2 3.93Å; V15-I228 HydrophobicContact CG1-CB 4.47Å; V15-I228 HydrophobicContact CG1-CD1 4.4Å; V15-I228 HydrophobicContact CG1-CG2 4.1Å; V15-I228 WeakPolarHBondContact O-CB 3.34Å; V15-I228 PolarHBondContact O-N 3.34Å; A17-I228 HydrophobicContact CB-CB 4.34Å; A17-I228 HydrophobicContact CB-CG1 4.33Å; K60-I228 VanDerWaalsContact C-CD1 3.48Å; K60-I228 HydrophobicContact CB-CD1 3.87Å; K60-I228 HydrophobicContact CB-CG1 3.87Å; K60-I228 VanDerWaalsContact O-CD1 3.23Å; K60-I228 WeakPolarHBondContact O-CD1 3.27Å; Q61-I228 HydrophobicContact CG-CG1 4.39Å; Q61-I228 VanDerWaalsContact CG-O 3.25Å; Q61-I228 WeakPolarHBondContact CG-O 3.37Å; Q61-I228 PolarHBondContact NE2-O 2.82Å; W63-I228 HydrophobicContact CE3-CD1 4.12Å; W63-I228 HydrophobicContact CZ3-CD1 4.19Å; A64-I228 HydrophobicContact CB-CD1 3.64Å; A64-I228 HydrophobicContact CB-CG2 4.27Å
229A87.3Confident68Low10 Ų1077.1 Ų77.18%0.08346%0.463CS..THydrogen-bonded Turntrans-99.210.4171.600000113.2P13 P227 G231 T232P13-A229 HydrophobicContact CB-CB 4.26Å; P13-A229 HydrophobicContact CG-CB 4.3Å; P227-A229 PolarHBondContact O-N 3.3Å; A229-G231 PolarHBondContact O-N 3.22Å; A229-T232 PolarHBondContact O-N 3.17Å; A229-T232 PolarHBondContact O-OG1 3.11Å
230A68.1Low65.8Low66 Ų6681 Ų8155%0.54549%0.485SS..THydrogen-bonded Turntrans-67.798.6175.800000110.3T226 P227T226-A230 HydrophobicContact CG2-CB 3.96Å; P227-A230 HydrophobicContact CB-CB 4.33Å; P227-A230 WeakPolarHBondContact O-CB 3.45Å; P227-A230 PolarHBondContact O-N 3.01Å; P227-A230 VanDerWaalsContact O-N 3.13Å
231G53Low63.4Low81 Ų8185.4 Ų85.484%0.83551%0.508SS*.THydrogen-bonded Turntrans141-34.1-169.900000111.6A229A229-G231 PolarHBondContact O-N 3.22Å
232T47.6Very low61.2Low90 Ų9090.5 Ų90.555%0.55253%0.527SS*.  trans-99.273.8167.550.70000109.2A229A229-T232 PolarHBondContact O-N 3.17Å; A229-T232 PolarHBondContact O-OG1 3.11Å
233G37.7Very low59.1Low54 Ų5488.6 Ų88.656%0.55754%0.536SS*.  trans-72.7162.8170.100000111.8N235G233-N235 PolarHBondContact O-N 2.68Å; G233-N235 VanDerWaalsContact O-N 3.16Å
234P44.5Very low56.3Low130 Ų13092.5 Ų92.584%0.84457%0.565SS**SBendtrans-70.4-6.2-178.829.8-36.1000114.2F236P234-F236 PolarHBondContact O-N 2.8Å
235N37.1Very low53.6Low159 Ų15996.8 Ų96.885%0.8560%0.595SS**  trans-80.355.5178.5-71.110.7000112.4G233 S237G233-N235 PolarHBondContact O-N 2.68Å; G233-N235 VanDerWaalsContact O-N 3.16Å; N235-S237 VanDerWaalsContact C-N 3.31Å; N235-S237 PolarHBondContact O-N 3.25Å
236F35.5Very low51.1Low152 Ų152100.8 Ų100.867%0.66761%0.606SS**  trans-91.776.2155.2-158.2-86.9000108.3P234 L238P234-F236 PolarHBondContact O-N 2.8Å; F236-L238 HydrophobicContact CD1-CD2 4.37Å; F236-L238 HydrophobicContact CD1-CG 4.34Å; F236-L238 HydrophobicContact CE1-CD2 3.98Å; F236-L238 HydrophobicContact CE1-CG 4.43Å; F236-L238 PolarHBondContact O-N 2.87Å
237S33.7Very low48.3Very low56 Ų56108.2 Ų108.239%0.39263%0.628SS.*  trans-64.9111.1169.8169.20000108.3N235 S239 D240N235-S237 VanDerWaalsContact C-N 3.31Å; N235-S237 PolarHBondContact O-N 3.25Å; S237-S239 PolarHBondContact O-N 2.88Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S237-D240 WeakPolarHBondContact CB-OD2 3.47Å; S237-D240 PolarHBondContact O-N 3.15Å; S237-D240 PolarHBondContact OG-OD2 3.49Å
238L39.1Very low45.5Very low133 Ų133111 Ų11170%0.69665%0.649SS**G310 helixtrans-64-14.8177.6-88.4164.7000112.9F236 D240F236-L238 HydrophobicContact CD1-CD2 4.37Å; F236-L238 HydrophobicContact CD1-CG 4.34Å; F236-L238 HydrophobicContact CE1-CD2 3.98Å; F236-L238 HydrophobicContact CE1-CG 4.43Å; F236-L238 PolarHBondContact O-N 2.87Å; L238-D240 VanDerWaalsContact C-N 3.33Å; L238-D240 PolarHBondContact O-N 3.27Å
239S39.8Very low42.8Very low95 Ų95119.3 Ų119.366%0.66469%0.69SS**G310 helixtrans-69.7-25.3179.7-55.60000114.1S237 L241S237-S239 PolarHBondContact O-N 2.88Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S239-L241 VanDerWaalsContact C-N 3.33Å; S239-L241 PolarHBondContact O-N 3.12Å
240D42.7Very low40.2Very low130 Ų130124 Ų12470%0.69572%0.722SS**G310 helixtrans-86.8-1.4-172.5-62.3-71000113.7S237 L238S237-D240 WeakPolarHBondContact CB-OD2 3.47Å; S237-D240 PolarHBondContact O-N 3.15Å; S237-D240 PolarHBondContact OG-OD2 3.49Å; L238-D240 VanDerWaalsContact C-N 3.33Å; L238-D240 PolarHBondContact O-N 3.27Å
241L40Very low39.1Very low132 Ų132127.3 Ų127.369%0.69174%0.738SS**G310 helixtrans-95.6-12.5-179.7-166.756.7000114S239S239-L241 VanDerWaalsContact C-N 3.33Å; S239-L241 PolarHBondContact O-N 3.12Å
242E41.8Very low38.1Very low181 Ų181127 Ų12785%0.84674%0.735SS**SBendtrans-96.88.2179.2-69.8-162.5117.800114.4
243S44.4Very low37.4Very low107 Ų107127.4 Ų127.475%0.74875%0.747SS**  trans-126.557.3-178.9-75.40000114.5
244S32Very low37.1Very low107 Ų107132.5 Ų132.575%0.74876%0.758SS**SBendtrans-149.283152.4-160.30000113.9Y246S244-Y246 PolarHBondContact O-N 2.67Å
245S34Very low36.7Very low112 Ų112135 Ų13578%0.78375%0.751SS**  49.369.2125.6-53.60000119.4
246Y36.4Very low36.4Very low205 Ų205136.7 Ų136.780%0.80475%0.745SS**  trans-148.868.5151.9-137.4-84.7000115.1S244S244-Y246 PolarHBondContact O-N 2.67Å
247Y34Very low36.2Very low219 Ų219134.8 Ų134.886%0.85975%0.751SS**  trans-170.2111.1136.6-99.3-62.4000110.1
248S34.8Very low36.3Very low104 Ų104140 Ų14073%0.72777%0.774SS**  trans-96.9108.7169.7-179.20000109.5
249M35.9Very low36.5Very low182 Ų182139.1 Ų139.190%0.89778%0.776SS**  trans-150.8140.4157.5-78.4-55.3154.200109.3
250S32Very low36Very low108 Ų108139.5 Ų139.576%0.75578%0.779SS**  trans-119.1168.3-176.7-51.60000109.8
251P46.2Very low35.3Very low136 Ų136139.8 Ų139.888%0.88379%0.785SS**  -112.1154.2-114.28.615.3000114.5
252G31.9Very low34.7Very low75 Ų75138.7 Ų138.777%0.77379%0.789SS**  trans-151.6116.8-179.800000116.4
253A31.1Very low34.1Very low98 Ų98134.9 Ų134.981%0.8178%0.782SS**  trans58.1119.3148.700000123.2
254M32.1Very low33.5Very low161 Ų161135.8 Ų135.879%0.79378%0.783SS**  trans70.8105.6131.1-69.7-85.4-169.900122.7
255R35.6Very low33.4Very low184 Ų184135.9 Ų135.969%0.69478%0.784SS**  73.5133.4123.3-80.3-173.3174.5-102.96.6123.5
256R32.2Very low33.4Very low193 Ų193135.8 Ų135.873%0.72878%0.783SS**  trans95.4105.6134.6-86.5-171.7-81.9-142.2-0.4121.5
257S31.1Very low33.1Very low113 Ų113133.3 Ų133.379%0.7979%0.79SS**  87.8132.2121.9-59.50000122.6
258L35.2Very low33.4Very low166 Ų166132.2 Ų132.287%0.86979%0.789SS**  trans-63.1172.5159.8-68.3168.2000112
259P42.8Very low33.5Very low113 Ų113138.1 Ų138.173%0.73480%0.796SS**  cis-148.7-174.728.344-22.4000119.7
260S30.1Very low33.3Very low104 Ų104137.4 Ų137.473%0.72780%0.795SS**  trans-0.8155149.5-41.70000120.2
261T27.1Very low33.5Very low136 Ų136141.8 Ų141.883%0.83480%0.8SS**  -164.9170.454.547.50000116.1
262S28.4Very low32.7Very low108 Ų108140 Ų14076%0.75579%0.791SS**  trans-51.8158.8169.5-34.90000118.7
263S29.8Very low32.8Very low101 Ų101141.3 Ų141.371%0.70678%0.783SS**  140.8134.4110.475.90000120.3
264T30.1Very low32.9Very low126 Ų126144.2 Ų144.277%0.77378%0.781SS**  trans66.2153.7138.645.80000126.6
265S30.5Very low33.4Very low110 Ų110142.8 Ų142.877%0.76978%0.776SS**  trans72135.416866.80000118
266S34.3Very low33.7Very low110 Ų110142 Ų14277%0.76978%0.78SS**  cis100.1113.318.3-66.10000115.2
267T31Very low34.3Very low152 Ų152139.8 Ų139.893%0.93378%0.78SS**  trans178.1-174.6137.727.20000111.2
268K40.4Very low34.4Very low196 Ų196141 Ų14185%0.85278%0.778SS**  trans-136.6154.2-167.5-49.6172.5-177.7172.50112.3
269R34.9Very low35Very low229 Ų229138.1 Ų138.186%0.86477%0.771SS**  trans65.1124.4138.2-167.2-166.6-158-177.15.9118.9
270L32.3Very low35.6Very low167 Ų167138.6 Ų138.687%0.87477%0.774SS**  -178.9-179.8121.7-95.2164.9000112.1
271K37Very low35.8Very low199 Ų199136.9 Ų136.987%0.86577%0.773SS**  trans-157.9136.2-168.6171.7-173.8173.7-176.90112.3
272S29.1Very low36.3Very low100 Ų100138.7 Ų138.770%0.69977%0.772SS**  trans-161.2153.3158.1-108.30000108.1
273V34.7Very low36.9Very low101 Ų101140.1 Ų140.161%0.61277%0.767SS**  62.5138.667.71230000111D275V273-D275 VanDerWaalsContact CG2-OD2 3.3Å; V273-D275 WeakPolarHBondContact CG2-OD2 3.29Å
274E33.2Very low38Very low160 Ų160140.1 Ų140.175%0.74876%0.764SS**  cis-129.8158.415.245.4-105.439.700111.4
275D42.4Very low38.1Very low131 Ų131141 Ų14170%0.70176%0.758SS**  cis75.5142.133-54.3-69.4000112.9V273V273-D275 VanDerWaalsContact CG2-OD2 3.3Å; V273-D275 WeakPolarHBondContact CG2-OD2 3.29Å
276E41.9Very low38.2Very low167 Ų167145.8 Ų145.878%0.7876%0.761SS**  cis-100.6-146.28.1-59.2172.7109.100112.1
277M43.4Very low38Very low147 Ų147146.2 Ų146.272%0.72476%0.759SS**  cis-153.9-163.94.3-157.652.999.500106.4
278D34.6Very low37.8Very low138 Ų138142.2 Ų142.274%0.73875%0.748SS**  cis-163.9163.26.2-176.124.5000110.6
279S46.3Very low37.5Very low106 Ų106142.9 Ų142.974%0.74175%0.754SS**  trans-177.2154.5172.2-790000115.1
280P56.6Low37.2Very low122 Ų122135.7 Ų135.779%0.79275%0.752SS**  -143.8165.3109.338.1-24.6000113.3
281G33Very low37.3Very low69 Ų69139.8 Ų139.871%0.71176%0.755SS**  cis-178-168.25.600000108.5
282E38.4Very low37.1Very low174 Ų174135.7 Ų135.781%0.81375%0.752SS**  cis-169.4151.1-12.454.4-164.76600110.6
283E41.8Very low37.9Very low138 Ų138137 Ų13765%0.64576%0.758SS**  trans45157.2149.2-70.5-74.977.400124.9F285E283-F285 WeakPolarHBondContact OE1-CE2 3.3Å; E283-F285 VanDerWaalsContact OE2-CE2 3.3Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.39Å
284P52Low37.8Very low100 Ų100135.7 Ų135.765%0.64977%0.765SS**  cis-130.3152.2-16.823.3-1000116.2
285F32.3Very low37.9Very low144 Ų144134.3 Ų134.363%0.63277%0.773SS**  trans34.5143.9147.2-61-70.9000122.8E283E283-F285 WeakPolarHBondContact OE1-CE2 3.3Å; E283-F285 VanDerWaalsContact OE2-CE2 3.3Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.39Å
286Y32.2Very low37.4Very low212 Ų212131.5 Ų131.583%0.83178%0.775SS**  cis-136.9164.534.8-109.7-84.7000116.2
287T29.4Very low37.1Very low118 Ų118129.6 Ų129.672%0.72478%0.78SS**  trans-67.5172.1171.750.10000112.6
288G28.8Very low36.8Very low69 Ų69131.5 Ų131.571%0.71179%0.787SS**  cis140.999.8-0.500000111.9
289Q33.6Very low36.7Very low209 Ų209130.8 Ų130.898%0.97779%0.793SS**  trans22.7102.5156.5-160.4169.818.700119.1
290G29Very low36.5Very low79 Ų79131.2 Ų131.281%0.81480%0.796SS**  trans-137.9155.8175.800000114.4
291R33.4Very low35.2Very low252 Ų252128.5 Ų128.595%0.95179%0.791SS**  trans-93.9153.3-178.8-75.3176.6168.3178.7-4.1112.8
292S33.8Very low35.2Very low114 Ų114136.2 Ų136.280%0.79780%0.798SS**  trans-64.2163.7169.7-40.60000113.1
293P45.5Very low35.2Very low127 Ų127135.4 Ų135.483%0.82579%0.794SS**  -145.5141.997.237-22.1000116.8
294G31.5Very low34.7Very low73 Ų73136.9 Ų136.975%0.75380%0.801SS**  trans95.5115135.500000122.1
295S35Very low34Very low131 Ų131137.8 Ų137.892%0.91680%0.804SS**  trans94.5127.9138.2-152.30000122.2
296G32.6Very low34Very low73 Ų73138.9 Ų138.975%0.75381%0.812SS**  trans76.8146155.200000118.2
297S35.8Very low34.8Very low126 Ų126134.4 Ų134.488%0.88181%0.808SS**  cis-155-178.9-13-162.50000110.6
298Q36.1Very low34.7Very low187 Ų187132 Ų13287%0.87481%0.807SS**  trans-89.9155.9-169.7-56.5167.1-6.200114.9
299S33.7Very low35.1Very low124 Ų124137 Ų13787%0.86781%0.814SS**  trans-156.7165.1138.766.70000110.9
300S41.6Very low35.4Very low114 Ų114132.9 Ų132.980%0.79781%0.805SS**  trans-159.6160.2-167.557.20000113.9
301G29.4Very low35.8Very low66 Ų66133.9 Ų133.968%0.6880%0.8SS**  trans108.6161.816800000115.7
302W32.8Very low36.8Very low230 Ų230127.5 Ų127.587%0.87179%0.791SS**  cis-151.7-168.9-8.8-99.7109000109.8
303H37.9Very low36.6Very low158 Ų158128.3 Ų128.373%0.73179%0.791SS**  trans-73.5-176.1-174.5-76.5-131.7000112.8
304E33Very low36Very low168 Ų168127.9 Ų127.979%0.78579%0.787SS**  cis-174.8172.144.5-146.6179.2110.600115.5
305V36.7Very low36.1Very low119 Ų119131.9 Ų131.972%0.72179%0.79SS**  trans54.5111.8164.2-72.80000124.2
306E32.9Very low36.1Very low168 Ų168136 Ų13679%0.78579%0.791SS**  21.2164.4104.9-77-65.1114.400121.9
307P47.8Very low36Very low117 Ų117140.1 Ų140.176%0.7679%0.789SS**  cis-133.7174.9-538.4-21.1000116.3
308G26.9Very low36.1Very low67 Ų67139.1 Ų139.169%0.69178%0.782SS**  trans157.2124.8155.400000119.5
309M37.5Very low35.8Very low174 Ų174136.8 Ų136.886%0.85777%0.77SS**  trans-111.6159.8168.4-83.9-68.6107.200109.7
310P41.2Very low35.9Very low123 Ų123139.8 Ų139.880%0.79977%0.768SS**  cis-149.1-172.644.643-21.5000118.1
311S36.2Very low35.4Very low100 Ų100140.2 Ų140.270%0.69977%0.771SS**  trans-94.8-170.9169.4-31.30000111.7
312P54.1Low35.4Very low118 Ų118140.4 Ų140.477%0.76677%0.773SS**  cis-133.7163.8-11.939.6-23.2000116.2
313T30Very low35.4Very low132 Ų132139.3 Ų139.381%0.8177%0.774SS**  trans-160.8154.4175.131.60000111.4
314T32.7Very low34.9Very low118 Ų118136.8 Ų136.872%0.72478%0.775SS**  cis-162155.2-32.89.20000110.7
315L33.6Very low34.9Very low157 Ų157134.2 Ų134.282%0.82278%0.775SS**  trans43.5114.1153.7-67.9169.2000121.6
316K36Very low34.9Very low216 Ų216134.6 Ų134.694%0.93978%0.78SS**  -153.2155108.7-130.3175.1-176.2177.20112.7
317K30.9Very low34.8Very low161 Ų161131.9 Ų131.970%0.778%0.78SS**  trans-136.9136.8-167.5167-172.6169.3-178.10111.5E319K317-E319 WeakPolarHBondContact CE-OE2 3.3Å; K317-E319 IonicContact NZ-OE2 2.73Å; K317-E319 PolarHBondContact NZ-OE2 2.76Å
318S38Very low34.6Very low105 Ų105132.3 Ų132.373%0.73478%0.783SS**  trans178110.1142.2-168.20000106.3
319E29.3Very low34.7Very low137 Ų137134.4 Ų134.464%0.6479%0.786SS**  51.812380.9-61.8-157.875.200113.7K317K317-E319 WeakPolarHBondContact CE-OE2 3.3Å; K317-E319 IonicContact NZ-OE2 2.73Å; K317-E319 PolarHBondContact NZ-OE2 2.76Å
320K34.7Very low34.4Very low188 Ų188134.8 Ų134.882%0.81779%0.786SS**  cis128.2142.8-2.3178.8177.9175.8-175.40110.3
321S31.4Very low33.8Very low123 Ų123135.4 Ų135.486%0.8679%0.788SS**  trans86.6150.3171.979.10000116.5
322G30Very low33.5Very low69 Ų69135.3 Ų135.371%0.71179%0.787SS**  cis164.5157-12.900000115.3
323F32.2Very low32.5Very low207 Ų207134.9 Ų134.991%0.90879%0.787SS**  trans74.4129.1164.3-94.7-111000122
324S28.1Very low32.6Very low106 Ų106136.9 Ų136.974%0.74179%0.792SS**  trans70.5135.5144-64.10000123.9
325S32.7Very low32.5Very low113 Ų113134.1 Ų134.179%0.7979%0.786SS**  trans-76.2169.3161.2-45.60000112.2
326P37.6Very low32.5Very low128 Ų128133.5 Ų133.583%0.83179%0.789SS**  -139.9166.7110.639.4-29.6000114.8
327S30.3Very low32.2Very low111 Ų111127.5 Ų127.578%0.77678%0.78SS**  trans-90.7156.1170-44.30000111.9
328P43.1Very low32.2Very low126 Ų126127.7 Ų127.782%0.81878%0.782SS**  trans-115.8165.9154.737.4-28.5000112.6
329S29.6Very low31.9Very low110 Ų110128.9 Ų128.977%0.76978%0.784SS**  trans-139138.1-173.4-67.40000114.1
330Q31.8Very low32Very low183 Ų183127.9 Ų127.986%0.85578%0.78SS**  trans68.4171.4155.2-66.4-161.781.300120.7
331T27.3Very low31.9Very low135 Ų135125.9 Ų125.983%0.82877%0.773SS**  trans83.2148.3-174.4720000117.6
332S30.6Very low32.1Very low99 Ų99127.9 Ų127.969%0.69277%0.769SS**  -173.3128.9-61.443.40000112.7
333S31.9Very low32.3Very low109 Ų109135.1 Ų135.176%0.76277%0.774SS**  trans66.6164148.169.50000123.4
334L33.3Very low32.8Very low174 Ų174131.2 Ų131.291%0.91177%0.77SS**  trans82.7136.5173.6-58166.2000117.6
335G30.1Very low32.9Very low59 Ų59131.5 Ų131.561%0.60877%0.767SS**  cis178.8178-5.100000114.7
336T34.3Very low33Very low144 Ų144134 Ų13488%0.88377%0.769SS**  trans68.6132.6-178.869.40000117.4
337A29.6Very low32.8Very low91 Ų91134.1 Ų134.175%0.75277%0.768SS**  cis86.6140.425.900000114.4
338F31.1Very low32.8Very low165 Ų165132.1 Ų132.172%0.72477%0.765SS**  cis-150.4166.6-0.2-142.8-127.6000107.2Q340F338-Q340 HydrophobicContact CE1-CG 4.14Å
339T31Very low32.8Very low129 Ų129132.2 Ų132.279%0.79177%0.766SS**  -17016381.639.30000113.7
340Q30.9Very low32.9Very low117 Ų117138.7 Ų138.755%0.54777%0.773SS.*  trans-81167.2173.9-59.71689.500110.6F338F338-Q340 HydrophobicContact CE1-CG 4.14Å
341H34Very low32.7Very low145 Ų145135 Ų13567%0.67177%0.774SS**  174.616576.6-72.2-79.9000107
342H33.9Very low32.9Very low166 Ų166133.8 Ų133.877%0.76977%0.771SS**  cis-162.3-163.2-9.5-110.8-24000109.7
343R34.8Very low33.5Very low220 Ų220134.4 Ų134.483%0.8377%0.773SS**  trans-121.5161.7171.5-101.7-173.4177.3-178.5-0.6110.9
344P42.8Very low33.4Very low125 Ų125137.5 Ų137.581%0.81278%0.775SS**  trans-106.5155.2147.932.8-22.8000112.6
345V29.9Very low33.1Very low113 Ų113134 Ų13469%0.68577%0.771SS**  trans-142.8140.1174.5171.80000108.1
346I35.8Very low33.3Very low164 Ų164137 Ų13784%0.84178%0.778SS**  trans-133.7151.8170.4-64-176.6000109
347T31.9Very low33.5Very low132 Ų132135.5 Ų135.581%0.8177%0.77SS**  trans-97.4168.4-166.344.10000114.5
348G30Very low33.5Very low69 Ų69137.3 Ų137.371%0.71178%0.777SS**  trans-79.7-162.3-177.900000115.4
349P43.8Very low33.5Very low127 Ų127135.2 Ų135.283%0.82578%0.778SS**  -150.7157.466.540.8-22.3000119.4
350R31.6Very low33.5Very low247 Ų247135.5 Ų135.593%0.93277%0.774SS**  trans35.6111.1137.3-167.3-175.3-169175.74121
351A28.7Very low33.5Very low104 Ų104138.9 Ų138.986%0.8679%0.79SS**  trans-152.6152.4141.400000111.5
352S30.5Very low33.4Very low111 Ų111139.8 Ų139.878%0.77679%0.792SS**  trans-154.5148.8171.2-175.20000108.2
353P42.8Very low33.2Very low112 Ų112137.9 Ų137.973%0.72779%0.794SS**  -147.2152.4107.935.4-18.9000116.5
354H29.7Very low33Very low173 Ų173133.2 Ų133.280%0.80179%0.791SS**  trans31.9120.1145.8-67.3-86.8000122.3
355A28Very low32.6Very low101 Ų101132.1 Ų132.184%0.83579%0.786SS**  -144.6145.8126.600000109.4
356T33.3Very low33.2Very low122 Ų122132.9 Ų132.975%0.74879%0.793SS**  trans-128.2174.8-179.8570000109.6
357P40.1Very low33.3Very low113 Ų113132.3 Ų132.373%0.73479%0.79SS**  trans-82.7174.8-143.435.8-39.8000115
358S28.3Very low33.3Very low128 Ų128133.4 Ų133.490%0.89579%0.789SS**  trans-135.8123.3161.9-70.70000110
359T31.6Very low33.4Very low122 Ų122137.9 Ų137.975%0.74879%0.792SS**  trans-100.6156.3-175.2-62.50000110.8
360L31.5Very low32.8Very low134 Ų134140 Ų14070%0.70279%0.791SS**  trans-33.4143.4171.9-64162.4000115.4F362L360-F362 HydrophobicContact CB-CE2 4.18Å; L360-F362 HydrophobicContact CD1-CE2 4.13Å; L360-F362 HydrophobicContact CD1-CZ 4.41Å
361H29.9Very low32.9Very low188 Ų188134.2 Ų134.287%0.8779%0.785SS**  trans-122.1131160-121.2-87.3000109.8
362F32.3Very low33.1Very low164 Ų164132.1 Ų132.172%0.71977%0.774SS**  trans-108.1148.9174.7-69.4-96000110.6L360L360-F362 HydrophobicContact CB-CE2 4.18Å; L360-F362 HydrophobicContact CD1-CE2 4.13Å; L360-F362 HydrophobicContact CD1-CZ 4.41Å
363P30.8Very low33.5Very low126 Ų126133.2 Ų133.282%0.81878%0.778SS**  trans-96.1153.8150.835.2-28.7000111
364T30.1Very low33.3Very low123 Ų123138.8 Ų138.876%0.75579%0.786SS**  trans-123.7120-160.5-56.70000113.8
365S33.7Very low33.5Very low102 Ų102140.4 Ų140.471%0.71379%0.791SS**  trans67.6166.7154.3-660000118
366P43.8Very low33.7Very low128 Ų128141 Ų14183%0.83179%0.79SS**  cis-122.2172.88.141.6-27.4000117.8
367I37.9Very low33.8Very low153 Ų153142.8 Ų142.879%0.78579%0.789SS**  trans-79.7137.3-172.4-65.4148000112.4
368I31.3Very low33.8Very low154 Ų154143.9 Ų143.979%0.7980%0.797SS**  -173.9139.2129.1-98.3162.9000112.9
369Q32.6Very low34.5Very low163 Ų163142.1 Ų142.176%0.76279%0.79SS**  trans-7.9122.8168.8-57.9168.9-9.600121.2
370Q30.6Very low34.9Very low172 Ų172142.2 Ų142.280%0.80478%0.784SS**  -163.8135.8125-82.1-40.1-65.500110.7
371P34.3Very low35.7Very low125 Ų125146 Ų14681%0.81279%0.789SS**  trans-93.8107.5170.833.4-28.9000112.5
372G33Very low36.2Very low61 Ų61147.1 Ų147.163%0.62979%0.787SS**PPolyproline II helixtrans-77.3161.9169.500000113.3
373P38.5Very low36.6Very low134 Ų134147.7 Ų147.787%0.8779%0.792SS**PPolyproline II helixtrans-74.3142.5-168.629.4-35.6000114.3
374Y38Very low36.9Very low228 Ų228146.5 Ų146.589%0.89478%0.784SS**PPolyproline II helixtrans-68.2154.2172.7-98.5-104.8000113.1S376Y374-S376 PolarHBondContact O-N 3.24Å
375F34.5Very low37.3Very low207 Ų207147.3 Ų147.391%0.90878%0.779SS**PPolyproline II helixtrans-54.6132.4172.5-98.3-110000112.5
376S32.3Very low37.6Very low114 Ų114151.2 Ų151.280%0.79779%0.786SS**  trans-88.8107.5179.257.10000112.6Y374Y374-S376 PolarHBondContact O-N 3.24Å
377H35Very low37.7Very low159 Ų159150.1 Ų150.174%0.73678%0.777SS**  trans-74.5127.5166.5-84.5-76.5000110.9A379H377-A379 PolarHBondContact O-N 2.85Å
378P40.7Very low37.9Very low137 Ų137147.4 Ų147.489%0.8976%0.764SS**THydrogen-bonded Turntrans-769.5-173.131.2-37.1000115.1
379A42.5Very low38.4Very low91 Ų91149.4 Ų149.475%0.75277%0.767SS**THydrogen-bonded Turntrans-107.8-13.7-169.300000115.2H377H377-A379 PolarHBondContact O-N 2.85Å
380I39.8Very low38.8Very low123 Ų123149.4 Ų149.463%0.63177%0.767SS**  trans-122.5121.7-177.7-55.4178.4000109.1Y382I380-Y382 HydrophobicContact CG2-CD2 4.06Å; I380-Y382 HydrophobicContact CG2-CE2 3.79Å
381R49Very low39.3Very low214 Ų214148.5 Ų148.581%0.80876%0.76SS**  trans-114.4111168.9-72.5-173.1178.3-167.9-1.9109.1
382Y39.2Very low39.9Very low211 Ų211148 Ų14883%0.82776%0.755SS**PPolyproline II helixtrans-70.6148.6160.9-74.3-89.3000109.7I380I380-Y382 HydrophobicContact CG2-CD2 4.06Å; I380-Y382 HydrophobicContact CG2-CE2 3.79Å
383H41.3Very low40.6Very low176 Ų176152.8 Ų152.882%0.81576%0.761SS**PPolyproline II helixtrans-83.9132.7175-162.470.3000109Q385H383-Q385 PolarHBondContact O-N 3.49Å
384P36.4Very low41Very low102 Ų102153.6 Ų153.666%0.66276%0.757SS**PPolyproline II helixtrans-67.6129.4175.328.3-33.1000110E386P384-E386 PolarHBondContact O-N 3.47Å; P384-E386 VanDerWaalsContact O-N 3.15Å
385Q38.3Very low41.2Very low139 Ų139147.9 Ų147.965%0.6575%0.746SS**  trans-91.168.7-167.5-166.1-177.928.400112.9H383 T387 L388H383-Q385 PolarHBondContact O-N 3.49Å; Q385-T387 PolarHBondContact O-N 2.76Å; Q385-T387 VanDerWaalsContact O-N 3.12Å; Q385-L388 HydrophobicContact CG-CG 4.34Å
386E41.6Very low41.4Very low185 Ų185142.8 Ų142.886%0.86474%0.735SS**THydrogen-bonded Turntrans-82.283169.6-61.8-142.4135.900110.5P384P384-E386 PolarHBondContact O-N 3.47Å; P384-E386 VanDerWaalsContact O-N 3.15Å
387T45.5Very low41.8Very low104 Ų104143.3 Ų143.364%0.63874%0.735SS**THydrogen-bonded Turntrans-165.5-24168.6-1.10000114.7Q385 K389Q385-T387 PolarHBondContact O-N 2.76Å; Q385-T387 VanDerWaalsContact O-N 3.12Å; T387-K389 VanDerWaalsContact C-N 3.27Å; T387-K389 PolarHBondContact O-N 2.94Å
388L42.5Very low41.7Very low96 Ų96143.5 Ų143.550%0.50374%0.742SS.*Hα-helixtrans-71.3-11.2-173.5-74.9-172.9000115.9Q385 E390Q385-L388 HydrophobicContact CG-CG 4.34Å; L388-E390 VanDerWaalsContact C-N 3.31Å; L388-E390 PolarHBondContact O-N 2.64Å
389K40.5Very low41.4Very low197 Ų197141.3 Ų141.386%0.85774%0.735SS**Hα-helixtrans-68.5-27179.3-79.5-172.6174.2179.30113.8T387T387-K389 VanDerWaalsContact C-N 3.27Å; T387-K389 PolarHBondContact O-N 2.94Å
390E41.3Very low40.9Very low162 Ų162140.2 Ų140.276%0.75773%0.733SS**Hα-helixtrans-82.3-31.7-178.9-62.1-175.4156.800112.2L388 V392 Q393L388-E390 VanDerWaalsContact C-N 3.31Å; L388-E390 PolarHBondContact O-N 2.64Å; E390-V392 PolarHBondContact O-N 2.84Å; E390-Q393 PolarHBondContact O-N 3.12Å
391F40.9Very low40.6Very low153 Ų153143.3 Ų143.367%0.67175%0.745SS**Hα-helixtrans-73.5-27.8-174.7-142.3-89.7000113.6Q393F391-Q393 VanDerWaalsContact C-N 3.34Å
392V47.3Very low39.8Very low116 Ų116141.8 Ų141.870%0.70375%0.747SS**G310 helixtrans-74.6-25.9178.2-1800000111.8E390 L394E390-V392 PolarHBondContact O-N 2.84Å; V392-L394 VanDerWaalsContact C-N 3.27Å; V392-L394 PolarHBondContact O-N 2.82Å
393Q48.2Very low39.3Very low160 Ų160136.8 Ų136.875%0.74875%0.749SS**G310 helixtrans-75.4-13.4-177.9-156.369.651.400113.5E390 F391E390-Q393 PolarHBondContact O-N 3.12Å; F391-Q393 VanDerWaalsContact C-N 3.34Å
394L45.5Very low38.7Very low152 Ų152132.2 Ų132.280%0.79675%0.749SS**G310 helixtrans-100.6-6.5-170.9-157.667.1000114.5V392V392-L394 VanDerWaalsContact C-N 3.27Å; V392-L394 PolarHBondContact O-N 2.82Å
395V43.1Very low38.4Very low108 Ų108136.1 Ų136.166%0.65576%0.759SS**SBendtrans-105.5-12-172.6-172.30000113
396C38.4Very low38Very low100 Ų100136.4 Ų136.468%0.67677%0.77SS**  trans-132.5101.9176.9-69.20000111.2D398C396-D398 PolarHBondContact O-N 2.82Å
397P40.7Very low37.4Very low124 Ų124131.3 Ų131.381%0.80577%0.766SS**  trans-75.5101.7165.330.4-30.9000109.3A399P397-A399 PolarHBondContact O-N 3.11Å
398D32.9Very low36.7Very low164 Ų164136.1 Ų136.188%0.87778%0.779SS**  trans-71.5119.9170.2-165-70.6000109.5C396C396-D398 PolarHBondContact O-N 2.82Å
399A34.8Very low36.1Very low91 Ų91139.5 Ų139.575%0.75280%0.797SS**  trans-142.682.3-173.100000111.7P397P397-A399 PolarHBondContact O-N 3.11Å
400G32.7Very low35.7Very low68 Ų68137.1 Ų137.170%0.70179%0.793SS**  trans63.2109143.600000118.2Q402G400-Q402 PolarHBondContact O-N 3.02Å
401Q33.4Very low36.1Very low188 Ų188134.2 Ų134.288%0.87979%0.788SS**  trans-64.1128.4160.5-60.6175.55.600110.7
402Q30.7Very low35.6Very low182 Ų182134.9 Ų134.985%0.8580%0.799SS**  179.5141.6114.6-96.9176.124.300114.1G400G400-Q402 PolarHBondContact O-N 3.02Å
403A29.3Very low34.7Very low105 Ų105132.9 Ų132.987%0.86880%0.802SS**  trans48.2123.1153.400000121.3
404G28.9Very low34.1Very low80 Ų80130.9 Ų130.983%0.82581%0.806SS**  trans168.779164.800000118.3
405Q29.8Very low33.5Very low185 Ų185129.7 Ų129.786%0.86481%0.81SS**  trans26.9120.4148.4-80.5-176.6-7.600123.3
406V30Very low33.1Very low145 Ų145134.2 Ų134.288%0.87982%0.824SS**  trans32.2134.9137.4-61.40000123
407G30.1Very low32.8Very low77 Ų77133 Ų13379%0.79483%0.829SS**  trans-179.6123.3159.400000113.2
408F30.8Very low32.7Very low205 Ų205137.3 Ų137.390%0.89984%0.835SS**  trans-92.4143.3173.2-80.2-116000110.6
409L29.3Very low32.8Very low168 Ų168136.9 Ų136.988%0.8884%0.838SS**  165.7161.5110.5-86.7178.5000112.7
410N30.7Very low32.6Very low146 Ų146141 Ų14178%0.78184%0.841SS**  trans-147.4168.1-179.9-153.729.5000106.1
411P51.1Low32.7Very low101 Ų101144.8 Ų144.866%0.65685%0.845SS**  cis-125.6-174.2-32.835.7-19.3000112.9
412N30.8Very low33.4Very low168 Ų168140 Ų14090%0.89883%0.831SS**  trans75.7145.6149.9-159.823.9000119.1
413G28.1Very low33.6Very low73 Ų73140.8 Ų140.875%0.75383%0.831SS**  trans154.6111.6175.800000113.8
414S34.9Very low34Very low119 Ų119143.7 Ų143.783%0.83283%0.832SS**  trans-106.6133-17758.20000113.4
415S32.1Very low34.5Very low127 Ų127145.9 Ų145.989%0.88883%0.831SS**  trans-156.2165.6160.963.70000112.3
416Q35.8Very low35.1Very low203 Ų203142.1 Ų142.195%0.94982%0.821SS**  trans-85.5146.7-170.5-63.3175-18.500113.2
417G31.8Very low36Very low75 Ų75141 Ų14177%0.77382%0.817SS**  trans-153.8124167.900000112.4
418K39.6Very low37Very low214 Ų214144.8 Ų144.893%0.9382%0.815SS**  trans-77.6129.8171.6-76.5177.51751750110.1
419V34.1Very low38.1Very low155 Ų155142.7 Ų142.794%0.93981%0.813SS**  trans-149163.4151.8-110.50000111.2
420H30.5Very low39.8Very low177 Ų177139.9 Ų139.982%0.81981%0.805SS**  trans-94148.6-166.4-155.179.3000111.7
421N35.4Very low41.3Very low147 Ų147138.6 Ų138.679%0.78680%0.804SS**  trans-144.3121167-178.212.5000108.3F423N421-F423 PolarHBondContact OD1-N 2.88Å
422P47.2Very low41.6Very low89 Ų89139.3 Ų139.358%0.57881%0.809SS**  -140.6137.512021.6-1.5000114.9
423F34.3Very low42.9Very low197 Ų197136.8 Ų136.886%0.86480%0.802SS**  trans50.8124.2145.6-67.4-78.2000121.4N421N421-F423 PolarHBondContact OD1-N 2.88Å
424L37.9Very low44.5Very low167 Ų167138.8 Ų138.887%0.87480%0.802SS**PPolyproline II helixtrans-69.4139.1164.8-63.9167.3000111.2
425P40.7Very low45.5Very low125 Ų125138.5 Ų138.581%0.81280%0.797SS**PPolyproline II helixtrans-82.6126.3178.131.7-33.3000112.4
426T40.8Very low46.8Very low106 Ų106138.5 Ų138.565%0.6579%0.794SS**PPolyproline II helixtrans-77.9139.4165.130.80000111M428T426-M428 PolarHBondContact O-N 2.77Å; T426-M428 VanDerWaalsContact O-N 3.12Å
427P48.9Very low47.6Very low122 Ų122137.6 Ų137.679%0.79279%0.792SS**  trans-71.8106.6173.129-32.7000109.9L429P427-L429 PolarHBondContact O-N 3.44Å
428M53.1Low48.2Very low156 Ų156138.7 Ų138.777%0.76879%0.794SS**PPolyproline II helixtrans-70.3126.8172.3-71.6-70.5101.300110.5T426T426-M428 PolarHBondContact O-N 2.77Å; T426-M428 VanDerWaalsContact O-N 3.12Å
429L53.4Low48.7Very low161 Ų161139.6 Ų139.684%0.84379%0.791SS**PPolyproline II helixtrans-67.2142.5166.4-70.7169.6000109.6P427P427-L429 PolarHBondContact O-N 3.44Å
430P65.1Low49.1Very low110 Ų110138.1 Ų138.171%0.71479%0.785SS**PPolyproline II helixtrans-65.1150.4175.428.3-34.7000111.1
431P61.2Low49.9Very low118 Ų118135.6 Ų135.677%0.76678%0.782SS**PPolyproline II helixtrans-64.9150.4178.727.9-35.1000111.6
432P56.7Low50.3Low117 Ų117134.3 Ų134.376%0.7678%0.781SS**PPolyproline II helixtrans-65.9149.7177.728.7-35.3000111.6
433P59.3Low50.1Low115 Ų115137.3 Ų137.375%0.74779%0.792SS**PPolyproline II helixtrans-65.5150.7178.128.2-35.2000111.8
434P61.2Low50.3Low115 Ų115133.9 Ų133.975%0.74779%0.789SS**PPolyproline II helixtrans-65.3153.1177.428.3-35.2000111.8
435P57.3Low50.8Low112 Ų112131.9 Ų131.973%0.72778%0.784SS**PPolyproline II helixtrans-64.9148.3178.228.3-35.3000111.6M437P435-M437 PolarHBondContact O-N 3.27Å
436P58Low50.7Low128 Ų128131.4 Ų131.483%0.83178%0.781SS**PPolyproline II helixtrans-64.5123.6-179.326.3-34.2000111.1A438P436-A438 PolarHBondContact O-N 3.48Å
437M52.6Low50.8Low183 Ų183134.1 Ų134.190%0.90179%0.791SS**PPolyproline II helixtrans-64.9131.4173.2-66.5174.367.200110.2P435 R439P435-M437 PolarHBondContact O-N 3.27Å; M437-R439 PolarHBondContact O-N 3.31Å
438A44.4Very low50.2Low99 Ų99134 Ų13482%0.81879%0.789SS**PPolyproline II helixtrans-65.1123.6174.900000110.2P436P436-A438 PolarHBondContact O-N 3.48Å
439R51Low49.3Very low232 Ų232136.1 Ų136.188%0.87579%0.793SS**PPolyproline II helixtrans-64.3139.2170.6-77.9-175.8171.4-176.7-2.6109.8M437 V441M437-R439 PolarHBondContact O-N 3.31Å; R439-V441 PolarHBondContact O-N 3.46Å
440P42.8Very low48.7Very low125 Ų125133.4 Ų133.481%0.81279%0.785SS**PPolyproline II helixtrans-56.9135.9169-23.934.2000111.2
441V46.7Very low47.8Very low124 Ų124133.5 Ų133.575%0.75279%0.786SS**PPolyproline II helixtrans-82.1124.9171.5177.90000108.2R439 L443R439-V441 PolarHBondContact O-N 3.46Å; V441-L443 PolarHBondContact O-N 3.35Å
442P42.9Very low46.5Very low119 Ų119135 Ų13577%0.77379%0.793SS**PPolyproline II helixtrans-62.9126.7172.7-21.433.6000110.8
443L44Very low45.5Very low152 Ų152135.3 Ų135.380%0.79679%0.793SS**PPolyproline II helixtrans-79.6141.6168.6-66.7173.8000109.4V441 V445V441-L443 PolarHBondContact O-N 3.35Å; L443-V445 PolarHBondContact O-N 3.42Å
444P38.8Very low44.2Very low125 Ų125134.9 Ų134.981%0.81279%0.793SS**PPolyproline II helixtrans-63130.8172.7-20.332.6000111.1
445V47.3Very low43Very low126 Ų126134.7 Ų134.776%0.76479%0.79SS**PPolyproline II helixtrans-82.2141.9170.4-69.20000110.5L443 D447L443-V445 PolarHBondContact O-N 3.42Å; V445-D447 PolarHBondContact O-N 3.38Å
446P39.7Very low42.1Very low115 Ų115138.3 Ų138.375%0.74780%0.797SS**  trans-83.2105.1174.831.8-31.7000110.7T448P446-T448 PolarHBondContact O-N 3.3Å; P446-T448 PolarHBondContact O-OG1 3.46Å
447D41.7Very low41Very low163 Ų163135.8 Ų135.887%0.87279%0.794SS**  trans-64.4131.3176.4-124-45.7000111.3V445V445-D447 PolarHBondContact O-N 3.38Å
448T36.5Very low40Very low120 Ų120131.2 Ų131.274%0.73679%0.794SS**  trans-138.8102-173.8-54.80000110.9P446P446-T448 PolarHBondContact O-N 3.3Å; P446-T448 PolarHBondContact O-OG1 3.46Å
449K34.4Very low39.5Very low199 Ų199131.4 Ų131.487%0.86580%0.795SS**  trans-151.3118.5167.5-166.9174.5-178-1780113.8
450P41.1Very low38.7Very low104 Ų104124.9 Ų124.968%0.67579%0.791SS**  trans-102.6-172.3165.741-34.1000110.9
451P46.8Very low38.4Very low113 Ų113124.6 Ų124.673%0.73479%0.792SS**  cis-125.7166.7-29.633.2-18000113.4
452T34.1Very low39.2Very low149 Ų149124 Ų12491%0.91479%0.791SS**  trans-145.9158.6147.633.30000109.9
453T35.3Very low38.8Very low123 Ų123125.2 Ų125.276%0.75580%0.796SS**  trans-115.1177.9-161.350.10000114.5
454S32.7Very low38.6Very low106 Ų106123.2 Ų123.274%0.74180%0.795SS**  trans77.8142.7163.4-1.20000115.4
455T35.8Very low39.4Very low111 Ų111122.7 Ų122.768%0.68179%0.792SS**  cis-152.5165.1-4.9-25.30000108.8
456E37.8Very low38.7Very low189 Ų189122.4 Ų122.488%0.88379%0.79SS**  trans32.3148.2156.1-73159.3118.800122.2
457G33.9Very low38.4Very low74 Ų74127.1 Ų127.176%0.76380%0.795SS**  cis150.4156.54.100000111
458G33Very low37.9Very low87 Ų87123.3 Ų123.390%0.89778%0.781SS**  trans86.6147.1169.300000117.1
459A34.4Very low37.8Very low104 Ų104123.3 Ų123.386%0.8678%0.78SS**  trans-147.1149.8174.900000109.7
460A32.9Very low38.6Very low94 Ų94119.4 Ų119.478%0.77778%0.775SS**  trans176.495.8149.700000114.2
461S36.1Very low38Very low119 Ų119120.3 Ų120.383%0.83278%0.784SS**  trans47.4-156.8130.8-46.70000118.9
462P64.3Low37.5Very low113 Ų113121.4 Ų121.473%0.73479%0.789SS**  -133.3166.1-112.938.8-19000117
463T35.5Very low37.8Very low144 Ų144119.3 Ų119.388%0.88378%0.781SS**  trans-157145.3149.4-6.40000113.9
464S39.8Very low38.6Very low110 Ų110119.4 Ų119.477%0.76978%0.783SS**  trans-134.7160.5164.1-71.90000104.7
465P53.8Low38.7Very low114 Ų114118 Ų11874%0.7478%0.778SS**  cis-154.3161.348.439-15.7000120.1
466T34.2Very low38.6Very low119 Ų119120 Ų12073%0.7378%0.784SS**  trans42.2122132.1-45.90000122.8
467Y33Very low38.7Very low215 Ų215122.5 Ų122.584%0.84379%0.786SS**  -169.3147.2111.4-123.4-92.9000116.6
468S29.7Very low38.6Very low83 Ų83128.1 Ų128.158%0.5879%0.789SS**  trans37.8113159.9-81.80000126.5
469T34.7Very low38.7Very low119 Ų119129.4 Ų129.473%0.7378%0.78SS**  30.6160.610466.10000122.3
470P51.6Low38.8Very low117 Ų117129 Ų12976%0.7677%0.771SS**  cis-139.1177.1-47.541.3-24.8000113.1
471S29.7Very low38.8Very low124 Ų124131.7 Ų131.787%0.86778%0.777SS**  trans-172.4169.8153.942.30000113.6
472T35.5Very low38.6Very low135 Ų135129.1 Ų129.183%0.82877%0.77SS**  trans-121159.4-169.9-54.70000112.3
473S39.6Very low38.3Very low106 Ų106129.5 Ų129.574%0.74177%0.772SS**  trans-37.6157.7174.9-32.80000117
474P52.4Low38.2Very low124 Ų124134.6 Ų134.681%0.80578%0.775SS**  -154.6174.782.641.4-23.5000117.1
475A35Very low37.9Very low76 Ų76136.7 Ų136.763%0.62878%0.777SS**  157.3114.6114.400000116.8
476N33Very low38.2Very low153 Ų153136.2 Ų136.282%0.81878%0.775SS**  trans63.9155.2137.7-52.8-31000120.3
477R40.5Very low38.1Very low243 Ų243135.2 Ų135.292%0.91777%0.773SS**  cis-136173.615.7-80.3-173.8170.5141.51.1114.6
478F31.2Very low38.1Very low191 Ų191134.3 Ų134.384%0.83877%0.773SS**  trans-77.2147.3-178.1-105.7-133.8000114.3
479V36.8Very low38.3Very low115 Ų115136.3 Ų136.370%0.69778%0.782SS**  73.8138.279.6163.70000113.5
480S34.6Very low38.1Very low95 Ų95137.1 Ų137.166%0.66478%0.782SS**  cis-175.2162.2-9.1-970000113
481V34.4Very low37.3Very low150 Ų150138.7 Ų138.791%0.90978%0.782SS**  trans65.8151.4151.3171.20000117.2
482G30.9Very low38.2Very low66 Ų66138 Ų13868%0.6877%0.774SS**  cis-165.8-163.913.300000115.4
483P58.5Low38Very low120 Ų120140 Ų14078%0.77977%0.774SS**  trans-130.7167.4-14943-30.9000119.2
484R33.8Very low37.6Very low251 Ų251142.8 Ų142.895%0.94778%0.776SS**  trans179.7165.6135.8-103.5170.1172.8177.5-3.5116.6
485D34Very low36.6Very low154 Ų154142.8 Ų142.882%0.82477%0.774SS**  trans-109.4-176-174.3-96.1-53.7000112.6
486P59.3Low36.5Very low105 Ų105147.2 Ų147.268%0.68278%0.781SS**  cis-141.9-168.5-38.940.2-21.6000115.1
487S32.4Very low36.6Very low98 Ų98144.5 Ų144.569%0.68578%0.775SS**  trans119.7146.6137.676.40000122.7
488F32Very low36.3Very low195 Ų195143.7 Ų143.786%0.85577%0.772SS**  trans65.8148168.9-70.8-77000118.5
489V33.4Very low36.4Very low126 Ų126144.3 Ų144.376%0.76477%0.77SS**  cis-141.71282.3-178.70000107
490N31.2Very low36.3Very low136 Ų136147 Ų14773%0.72778%0.779SS**  74.1137.275.5-1477.1000119.2
491I34.8Very low36.4Very low149 Ų149149.8 Ų149.876%0.76482%0.823SS**  trans83147.9159.4-86.4154.9000120.5
492P49.3Very low36.5Very low109 Ų109149.8 Ų149.871%0.70882%0.819SS**  trans-138.7-179.7-135.745.8-29.3000117.8
493Q30.7Very low36.8Very low177 Ų177154.2 Ų154.283%0.82783%0.826SS**  trans175.9162.4153.9-104177.834.900108.4
494Q30.9Very low35.6Very low166 Ų166156.1 Ų156.178%0.77683%0.829SS**  cis-148.1165.6-5.4-151.5177.522.100109.7
495T32.3Very low35.7Very low124 Ų124150.5 Ų150.576%0.76182%0.822SS**  trans-75.4142.8172.147.40000113.7
496Q33.3Very low35.8Very low168 Ų168150.3 Ų150.379%0.78582%0.822SS**  trans-139.5150136.9-81.1-149.26.100111.3
497S35.1Very low34.3Very low97 Ų97153.3 Ų153.368%0.67883%0.831SS**  trans-118.2139.1174.11740000108.1
498W34.3Very low34.4Very low226 Ų226157.3 Ų157.386%0.85684%0.842SS**  trans-135.2141.8163.2-7799.5000110.1
499Y33.6Very low34.6Very low203 Ų203154.4 Ų154.480%0.79684%0.841SS**  trans-124.5171.8-173.4-142.7-90.5000108.4
500L34.1Very low34.7Very low172 Ų172156.8 Ų156.890%0.90185%0.847SS**  trans82.5136179.4-52.3166.8000114.9
501G36.5Very low35Very low154 Ų154158.6 Ų158.6100%1.58886%0.858SS**  trans148.10-16500000109.1

Retrieved 501 of 501 residues in 77.5 ms (Link to these results)

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