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Protein transport protein SEC61 subunit alpha

Component of SEC61 channel-forming translocon complex that mediates transport of signal peptide-containing precursor polypeptides across the endoplasmic reticulum (ER). Forms a ribosome receptor and a gated pore in the ER membrane, both functions required for cotranslational translocation of nascent polypeptides. May cooperate with auxiliary protein SEC62, SEC63 and HSPA5/BiP to enable post-translational transport of small presecretory proteins. The SEC61 channel is also involved in ER membrane insertion of transmembrane proteins: it mediates membrane insertion of the first few transmembrane segments of proteins, while insertion of subsequent transmembrane regions of multi-pass membrane proteins is mediated by the multi-pass translocon (MPT) complex.

AlphaFold DB (A0A3P9PVR8), UniProt , Accession A0A087XEH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 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
1M37Very low53Low247 Ų24799.1 Ų99.1100%1.21753%0.527SS*.  080.40-79.3-174.7-97.300108
2G38.3Very low53.6Low70 Ų70101.5 Ų101.572%0.72253%0.53SS*.  trans-78.3127.7173.100000108K4G2-K4 PolarHBondContact O-N 3.5Å
3I40.1Very low54Low143 Ų14395.9 Ų95.973%0.73350%0.504SS*.  trans-49.3112.9167.6-64.2162.8000105.8F5 V8I3-F5 PolarHBondContact O-N 3.34Å; I3-V8 HydrophobicContact CG2-CG2 3.83Å
4K55.7Low54.4Low120 Ų12095.5 Ų95.552%0.52252%0.521SS..  trans-58.8112.2175.9-78.1-176.5175.4-173.20105.3G2 L6 E7G2-K4 PolarHBondContact O-N 3.5Å; K4-L6 HydrophobicContact CB-CB 4.5Å; K4-L6 PolarHBondContact O-N 3.06Å; K4-E7 HydrophobicContact CB-CG 4.11Å; K4-E7 PolarHBondContact O-N 3.31Å
5F55.4Low55.1Low103 Ų10397.2 Ų97.245%0.45254%0.536SS..Hα-helixtrans-48.2-30.5175.1-175.2-105.8000111.5I3 E7 V8 I9 I100 F119I3-F5 PolarHBondContact O-N 3.34Å; F5-E7 VanDerWaalsContact C-N 3.34Å; F5-E7 PolarHBondContact O-N 3.4Å; F5-V8 PolarHBondContact O-N 3.24Å; F5-I9 HydrophobicContact CD1-CD1 3.84Å; F5-I9 HydrophobicContact CE1-CD1 3.58Å; F5-I9 HydrophobicContact CZ-CD1 4.22Å; F5-I100 HydrophobicContact CD1-CD1 4.42Å; F5-F119 HydrophobicContact CE1-CE2 4.04Å; F5-F119 HydrophobicContact CE1-CZ 4.15Å; F5-F119 HydrophobicContact CZ-CE2 4.29Å; F5-F119 AromaticContact CZ-CZ 3.99Å; F5-F119 HydrophobicContact CZ-CZ 3.99Å
6L55.5Low56Low13 Ų1392.7 Ų92.77%0.06851%0.51CS..Hα-helixtrans-61.6-27.4173-64.6161.8000115K4 L111K4-L6 HydrophobicContact CB-CB 4.5Å; K4-L6 PolarHBondContact O-N 3.06Å; L6-L111 HydrophobicContact CB-CD1 4.31Å; L6-L111 HydrophobicContact CD2-CB 3.94Å
7E57.4Low57Low108 Ų10891 Ų9151%0.50551%0.505SS..Hα-helixtrans-82.8-27.4178-71.1-167.614400113.4K4 F5 I9 K10K4-E7 HydrophobicContact CB-CG 4.11Å; K4-E7 PolarHBondContact O-N 3.31Å; F5-E7 VanDerWaalsContact C-N 3.34Å; F5-E7 PolarHBondContact O-N 3.4Å; E7-I9 PolarHBondContact O-N 3.36Å; E7-K10 PolarHBondContact O-N 3.45Å; E7-K10 IonicContact OE1-NZ 2.78Å; E7-K10 PolarHBondContact OE1-NZ 2.89Å
8V60.7Low57.8Low87 Ų8793.2 Ų93.253%0.52751%0.51SS..Hα-helixtrans-68.4-26.9172.3179.10000111.2I3 F5 P11I3-V8 HydrophobicContact CG2-CG2 3.83Å; F5-V8 PolarHBondContact O-N 3.24Å; V8-P11 WeakPolarHBondContact O-CD 3.47Å
9I61.1Low58.9Low13 Ų1390.2 Ų90.27%0.06749%0.493CS..Hα-helixtrans-85.9-19.8-178.5-64.9172.5000112.7F5 E7 P11 F12 C13 A115 L118 F119F5-I9 HydrophobicContact CD1-CD1 3.84Å; F5-I9 HydrophobicContact CE1-CD1 3.58Å; F5-I9 HydrophobicContact CZ-CD1 4.22Å; E7-I9 PolarHBondContact O-N 3.36Å; I9-P11 VanDerWaalsContact C-CD 3.5Å; I9-F12 PolarHBondContact O-N 3.31Å; I9-C13 PolarHBondContact O-N 3.38Å; I9-A115 HydrophobicContact CD1-CB 3.91Å; I9-A115 HydrophobicContact CG2-CB 4.29Å; I9-L118 HydrophobicContact CG2-CD1 4.26Å; I9-F119 HydrophobicContact CD1-CE2 4.42Å
10K61.6Low59.6Low103 Ų10393.3 Ų93.345%0.44850%0.504SS..Hα-helixtrans-47-48178.2-89.2178.7178.4166.40115.3E7 F12 C13 L111E7-K10 PolarHBondContact O-N 3.45Å; E7-K10 IonicContact OE1-NZ 2.78Å; E7-K10 PolarHBondContact OE1-NZ 2.89Å; K10-F12 VanDerWaalsContact C-N 3.26Å; K10-F12 PolarHBondContact O-N 3.35Å; K10-C13 PolarHBondContact O-N 2.83Å; K10-L111 HydrophobicContact CG-CD2 3.75Å
11P60.5Low60.4Low83 Ų8395.9 Ų95.954%0.53951%0.511SS..Hα-helixtrans-65.1-30.718023.7-33.5000112.7V8 I9V8-P11 WeakPolarHBondContact O-CD 3.47Å; I9-P11 VanDerWaalsContact C-CD 3.5Å
12F59.8Low62.1Low128 Ų12886 Ų8656%0.56147%0.465SS*.Hα-helixtrans-79.5-30.2177.6-64.3-80.1000112.7I9 K10 A14 V15 L118I9-F12 PolarHBondContact O-N 3.31Å; K10-F12 VanDerWaalsContact C-N 3.26Å; K10-F12 PolarHBondContact O-N 3.35Å; F12-A14 PolarHBondContact O-N 3.45Å; F12-V15 PolarHBondContact O-N 2.86Å; F12-L118 HydrophobicContact CB-CD1 3.33Å; F12-L118 HydrophobicContact CG-CD1 4.15Å
13C59.2Low63.7Low29 Ų2991.6 Ų91.620%0.19647%0.473CS..Hα-helixtrans-61.1-27.9172.9-77.60000113.3I9 K10 V15I9-C13 PolarHBondContact O-N 3.38Å; K10-C13 PolarHBondContact O-N 2.83Å; C13-V15 VanDerWaalsContact C-N 3.29Å; C13-V15 PolarHBondContact O-N 2.98Å
14A59Low65.3Low90 Ų9095 Ų9574%0.74448%0.476SS*.THydrogen-bonded Turntrans-72.3-20.617900000113.8F12F12-A14 PolarHBondContact O-N 3.45Å
15V65.4Low66.1Low121 Ų12199.3 Ų99.373%0.73350%0.495SS*.THydrogen-bonded Turntrans-92.9-16.7-179-177.30000111.5F12 C13F12-V15 PolarHBondContact O-N 2.86Å; C13-V15 VanDerWaalsContact C-N 3.29Å; C13-V15 PolarHBondContact O-N 2.98Å
16L69.8Low67.2Low25 Ų2595.7 Ų95.713%0.13148%0.48CS..SBendtrans-75.2130.9-177.4-68.6169.7000110.8E18 K117 L118 M121L16-E18 PolarHBondContact O-N 2.83Å; L16-K117 HydrophobicContact CD1-CG 4.4Å; L16-L118 HydrophobicContact CD1-CB 3.94Å; L16-L118 HydrophobicContact CD1-CD1 4.28Å; L16-L118 HydrophobicContact CD1-CG 4.5Å; L16-M121 HydrophobicContact CD2-CE 3.47Å; L16-M121 VanDerWaalsContact CD2-CE 3.47Å; L16-M121 HydrophobicContact CD2-SD 4.01Å
17P72.2Confident68.4Low64 Ų64101.4 Ų101.442%0.41651%0.506SS..  trans-68106.8176.726.2-32.3000109.3K117 L164P17-K117 PolarHBondContact O-NZ 3.31Å; P17-L164 WeakPolarHBondContact O-CD2 3.3Å
18E72.2Confident69.4Low130 Ų13098.2 Ų98.261%0.60749%0.491SS*.PPolyproline II helixtrans-103.8136-176.3-160.8-174.6164.200111.5L16 E167 K171L16-E18 PolarHBondContact O-N 2.83Å; E18-E167 WeakPolarHBondContact CG-OE1 3.29Å; E18-K171 IonicContact OE1-NZ 3.48Å; E18-K171 PolarHBondContact OE1-NZ 3.42Å
19I77.5Confident70.5Confident36 Ų36104.2 Ų104.219%0.18550%0.504CS..PPolyproline II helixtrans-76.2128.6176.1-65.9178.1000109.1K21 L164 E167 L168 K171 Y173I19-K21 PolarHBondContact O-N 3.35Å; I19-L164 HydrophobicContact CD1-CB 4.31Å; I19-L164 HydrophobicContact CD1-CD2 4.45Å; I19-L164 WeakPolarHBondContact CD1-O 3.3Å; I19-L164 HydrophobicContact CG1-CD2 4.33Å; I19-E167 HydrophobicContact CB-CG 4.37Å; I19-E167 HydrophobicContact CD1-CB 4.23Å; I19-E167 HydrophobicContact CD1-CG 4.48Å; I19-E167 PolarHBondContact N-OE1 3.18Å; I19-L168 HydrophobicContact CD1-CB 3.69Å; I19-L168 HydrophobicContact CD1-CG 4.49Å; I19-K171 HydrophobicContact CB-CD 4.11Å; I19-K171 HydrophobicContact CG2-CD 4.25Å; I19-K171 WeakPolarHBondContact O-CD 3.33Å; I19-K171 WeakPolarHBondContact O-CE 3.49Å; I19-K171 PolarHBondContact O-NZ 3.26Å; I19-Y173 HydrophobicContact CG2-CE2 4.02Å
20Q74.3Confident71.6Confident152 Ų152108 Ų10871%0.7152%0.521SS*.PPolyproline II helixtrans-69.6135.3178.2-69.8-176.5-5.400111.2Y173Q20-Y173 WeakPolarHBondContact O-CE2 3.21Å; Q20-Y173 PolarHBondContact O-OH 3.24Å
21K75Confident72.7Confident148 Ų148104.8 Ų104.864%0.64351%0.507SS*.PPolyproline II helixtrans-62.4140.5172-66.8-176.8-176.9179.20108.7I19 E23 K171I19-K21 PolarHBondContact O-N 3.35Å; K21-E23 PolarHBondContact O-N 2.82Å; K21-K171 HydrophobicContact CG-CD 4.18Å; K21-K171 HydrophobicContact CG-CG 4.35Å
22P73.2Confident73.8Confident41 Ų41103.5 Ų103.527%0.26650%0.498SS..PPolyproline II helixtrans-64.2130.4-177.326.8-33.8000110.7R24 I26 K171 Y173P22-R24 PolarHBondContact O-N 3.42Å; P22-I26 HydrophobicContact CB-CD1 3.67Å; P22-I26 HydrophobicContact CB-CG1 3.85Å; P22-I26 HydrophobicContact CG-CD1 3.76Å; P22-I26 HydrophobicContact CG-CG1 4.18Å; P22-K171 WeakPolarHBondContact CD-O 3.4Å; P22-Y173 HydrophobicContact CB-CE1 4.17Å; P22-Y173 HydrophobicContact CB-CE2 4.45Å; P22-Y173 HydrophobicContact CG-CE2 4.36Å
23E71.1Confident75.2Confident187 Ų187102.4 Ų102.487%0.87450%0.497SS*.SBendtrans-68-21.4179.3-63.5-174.5162.300112.4K21K21-E23 PolarHBondContact O-N 2.82Å
24R74.6Confident76.6Confident214 Ų214105.7 Ų105.781%0.80851%0.506SS*.SBendtrans-122.4151178.6-63.8-177.5-179.7-175.9-0.2110.2P22 I26P22-R24 PolarHBondContact O-N 3.42Å; R24-I26 PolarHBondContact O-N 3.43Å; R24-I26 VanDerWaalsContact O-N 3.07Å
25K72.3Confident78Confident211 Ų211102 Ų10292%0.91747%0.474SS*.  trans-63.4112.5168.3-70.7-172.1177.5-175.30108.4
26I77.9Confident79.1Confident27 Ų2798.9 Ų98.914%0.13846%0.461CS..  trans-65.2137.1178.7-61.5171.1000108.8P22 R24 E30 K31 Y173P22-I26 HydrophobicContact CB-CD1 3.67Å; P22-I26 HydrophobicContact CB-CG1 3.85Å; P22-I26 HydrophobicContact CG-CD1 3.76Å; P22-I26 HydrophobicContact CG-CG1 4.18Å; R24-I26 PolarHBondContact O-N 3.43Å; R24-I26 VanDerWaalsContact O-N 3.07Å; I26-E30 HydrophobicContact CG2-CB 3.46Å; I26-E30 VanDerWaalsContact CG2-CB 3.46Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.23Å; I26-K31 HydrophobicContact CB-CG 4.18Å; I26-K31 HydrophobicContact CG2-CG 3.76Å; I26-Y173 HydrophobicContact CD1-CD1 3.23Å; I26-Y173 HydrophobicContact CD1-CE1 3.64Å; I26-Y173 HydrophobicContact CD1-CG 3.71Å
27Q81.3Confident80Confident132 Ų132101.2 Ų101.262%0.61747%0.473SS*.  trans-68151.7178.1-64.8-171.17.500110.8R29 E30 K31Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 2.87Å; Q27-E30 HydrophobicContact CB-CG 4.33Å; Q27-E30 PolarHBondContact N-OE2 2.8Å; Q27-E30 WeakPolarHBondContact O-CB 3.04Å; Q27-E30 PolarHBondContact O-N 3.4Å; Q27-K31 PolarHBondContact O-N 3.25Å
28F79.2Confident80.8Confident42 Ų4298.2 Ų98.218%0.18445%0.454CS..Hα-helixtrans-53.8-42.6-179.8-176.1-103.1000113.6E30 K31 V32 L175 F461 E464F28-E30 VanDerWaalsContact C-N 3.33Å; F28-E30 PolarHBondContact O-N 2.98Å; F28-K31 PolarHBondContact O-N 2.91Å; F28-V32 HydrophobicContact CD1-CG2 4.27Å; F28-V32 HydrophobicContact CE1-CG2 3.99Å; F28-V32 HydrophobicContact CZ-CG2 4.28Å; F28-V32 WeakPolarHBondContact O-CG2 3.42Å; F28-V32 PolarHBondContact O-N 3.48Å; F28-L175 HydrophobicContact CD2-CD2 4.37Å; F28-L175 HydrophobicContact CE2-CD2 3.91Å; F28-F461 HydrophobicContact CE1-CD2 4.07Å; F28-F461 HydrophobicContact CE1-CE1 4.12Å; F28-F461 AromaticContact CE1-CE2 3.48Å; F28-F461 HydrophobicContact CE1-CE2 3.48Å; F28-F461 VanDerWaalsContact CE1-CE2 3.48Å; F28-F461 AromaticContact CE1-CZ 3.5Å; F28-F461 HydrophobicContact CE1-CZ 3.5Å; F28-F461 VanDerWaalsContact CE1-CZ 3.5Å; F28-F461 HydrophobicContact CE2-CD2 4.15Å; F28-F461 HydrophobicContact CE2-CE2 4.38Å; F28-F461 HydrophobicContact CE2-CG 4.39Å; F28-F461 HydrophobicContact CZ-CB 4.48Å; F28-F461 AromaticContact CZ-CD1 3.93Å; F28-F461 HydrophobicContact CZ-CD1 3.93Å; F28-F461 AromaticContact CZ-CD2 3.29Å; F28-F461 HydrophobicContact CZ-CD2 3.29Å; F28-F461 AromaticContact CZ-CE1 3.86Å; F28-F461 HydrophobicContact CZ-CE1 3.86Å; F28-F461 AromaticContact CZ-CE2 3.2Å; F28-F461 HydrophobicContact CZ-CE2 3.2Å; F28-F461 AromaticContact CZ-CG 3.64Å; F28-F461 HydrophobicContact CZ-CG 3.64Å; F28-F461 AromaticContact CZ-CZ 3.5Å; F28-F461 HydrophobicContact CZ-CZ 3.5Å; F28-F461 VanDerWaalsContact CZ-CZ 3.5Å; F28-E464 HydrophobicContact CD2-CB 4.02Å; F28-E464 VanDerWaalsContact CD2-OE2 3.29Å; F28-E464 WeakPolarHBondContact CD2-OE2 3.35Å; F28-E464 HydrophobicContact CE2-CB 3.96Å
29R82.9Confident81.6Confident212 Ų21293.7 Ų93.780%0.843%0.433SS*.Hα-helixtrans-62.5-40.2178-68.7-175.5175.4-175.2-1.1112.4Q27 V32 L33Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 2.87Å; R29-V32 PolarHBondContact O-N 3.4Å; R29-L33 WeakPolarHBondContact O-CB 3.28Å; R29-L33 PolarHBondContact O-N 3.25Å; R29-L33 VanDerWaalsContact O-N 3.07Å
30E84.3Confident82.1Confident92 Ų9298.6 Ų98.643%0.4345%0.454SS..Hα-helixtrans-66.4-41.1176.2-67.9172.3164.200110.6I26 Q27 F28 V32 L33 W34I26-E30 HydrophobicContact CG2-CB 3.46Å; I26-E30 VanDerWaalsContact CG2-CB 3.46Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.23Å; Q27-E30 HydrophobicContact CB-CG 4.33Å; Q27-E30 PolarHBondContact N-OE2 2.8Å; Q27-E30 WeakPolarHBondContact O-CB 3.04Å; Q27-E30 PolarHBondContact O-N 3.4Å; F28-E30 VanDerWaalsContact C-N 3.33Å; F28-E30 PolarHBondContact O-N 2.98Å; E30-V32 PolarHBondContact O-N 2.83Å; E30-L33 PolarHBondContact O-N 2.88Å; E30-W34 PolarHBondContact O-N 2.71Å
31K84.1Confident82.8Confident36 Ų3694.5 Ų94.516%0.15744%0.436CS..Hα-helixtrans-59.7-44.1175.9-68.5-174-178.1-179.10112.9I26 Q27 F28 L33 W34 T35 Y173 L175 E464I26-K31 HydrophobicContact CB-CG 4.18Å; I26-K31 HydrophobicContact CG2-CG 3.76Å; Q27-K31 PolarHBondContact O-N 3.25Å; F28-K31 PolarHBondContact O-N 2.91Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-W34 PolarHBondContact O-N 3.35Å; K31-T35 WeakPolarHBondContact O-CB 3.27Å; K31-T35 PolarHBondContact O-N 3.08Å; K31-T35 PolarHBondContact O-OG1 3.48Å; K31-Y173 VanDerWaalsContact CA-O 3.27Å; K31-Y173 WeakPolarHBondContact CA-O 3.44Å; K31-L175 HydrophobicContact CB-CG 4.32Å; K31-L175 HydrophobicContact CD-CD2 4.4Å; K31-E464 IonicContact NZ-OE1 3.43Å; K31-E464 PolarHBondContact NZ-OE1 3.08Å; K31-E464 IonicContact NZ-OE2 3.77Å
32V85.6Confident83.4Confident57 Ų5787.5 Ų87.535%0.34541%0.405SS..Hα-helixtrans-61.1-44.5176.1174.70000110.4F28 R29 E30 T35 A36 L175 F461F28-V32 HydrophobicContact CD1-CG2 4.27Å; F28-V32 HydrophobicContact CE1-CG2 3.99Å; F28-V32 HydrophobicContact CZ-CG2 4.28Å; F28-V32 WeakPolarHBondContact O-CG2 3.42Å; F28-V32 PolarHBondContact O-N 3.48Å; R29-V32 PolarHBondContact O-N 3.4Å; E30-V32 PolarHBondContact O-N 2.83Å; V32-T35 WeakPolarHBondContact O-CB 3.26Å; V32-T35 PolarHBondContact O-N 2.82Å; V32-A36 PolarHBondContact O-N 3.4Å; V32-L175 HydrophobicContact CB-CD1 4.47Å; V32-L175 HydrophobicContact CG2-CD1 3.65Å; V32-F461 HydrophobicContact CG2-CE2 4.3Å
33L88.6Confident83.9Confident104 Ų10488.3 Ų88.355%0.54541%0.407SS..Hα-helixtrans-63.6-45.1179.5-176.8143.4000112R29 E30 K31 T35 A36 I37R29-L33 WeakPolarHBondContact O-CB 3.28Å; R29-L33 PolarHBondContact O-N 3.25Å; R29-L33 VanDerWaalsContact O-N 3.07Å; E30-L33 PolarHBondContact O-N 2.88Å; K31-L33 VanDerWaalsContact C-N 3.32Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.36Å; L33-A36 PolarHBondContact O-N 2.9Å; L33-I37 HydrophobicContact CD2-CD1 3.49Å; L33-I37 VanDerWaalsContact CD2-CD1 3.49Å; L33-I37 HydrophobicContact CD2-CG1 4.41Å; L33-I37 HydrophobicContact CG-CD1 4.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.28Å; L33-I37 PolarHBondContact O-N 2.95Å
34W88.3Confident84.7Confident98 Ų9882.3 Ų82.337%0.37138%0.383SS..Hα-helixtrans-60.7-42.3173.9-80111.3000112E30 K31 A36 I37 T38 L168 Y173E30-W34 PolarHBondContact O-N 2.71Å; K31-W34 PolarHBondContact O-N 3.35Å; W34-A36 VanDerWaalsContact C-N 3.3Å; W34-A36 PolarHBondContact O-N 3.38Å; W34-I37 PolarHBondContact O-N 3.49Å; W34-T38 WeakPolarHBondContact O-CG2 3.3Å; W34-T38 PolarHBondContact O-N 3.38Å; W34-T38 PolarHBondContact O-OG1 2.97Å; W34-L168 HydrophobicContact CE3-CD1 4.36Å; W34-L168 HydrophobicContact CE3-CD2 4.32Å; W34-L168 HydrophobicContact CZ3-CD1 4.38Å; W34-Y173 WeakPolarHBondContact CB-O 3.16Å
35T87.3Confident85.1Confident12 Ų1272.9 Ų72.97%0.07435%0.35CS..Hα-helixtrans-61.8-38.1176.2-52.20000111.7K31 V32 L33 T38 L39 L169 G174 L175 L181K31-T35 WeakPolarHBondContact O-CB 3.27Å; K31-T35 PolarHBondContact O-N 3.08Å; K31-T35 PolarHBondContact O-OG1 3.48Å; V32-T35 WeakPolarHBondContact O-CB 3.26Å; V32-T35 PolarHBondContact O-N 2.82Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.36Å; T35-T38 PolarHBondContact O-OG1 3.07Å; T35-L39 WeakPolarHBondContact O-CB 3.47Å; T35-L39 WeakPolarHBondContact O-CG 3.33Å; T35-L39 PolarHBondContact O-N 3.42Å; T35-L169 HydrophobicContact CG2-CD2 4.49Å; T35-G174 WeakPolarHBondContact OG1-CA 3.46Å; T35-L175 PolarHBondContact OG1-N 2.76Å; T35-L175 VanDerWaalsContact OG1-N 3.08Å; T35-L181 HydrophobicContact CG2-CD2 3.49Å; T35-L181 VanDerWaalsContact CG2-CD2 3.49Å
36A88.6Confident85.4Confident56 Ų5662.9 Ų62.946%0.46331%0.307SS..Hα-helixtrans-69.9-40176.100000112.5V32 L33 W34 L39 F40V32-A36 PolarHBondContact O-N 3.4Å; L33-A36 PolarHBondContact O-N 2.9Å; W34-A36 VanDerWaalsContact C-N 3.3Å; W34-A36 PolarHBondContact O-N 3.38Å; A36-L39 PolarHBondContact O-N 2.85Å; A36-F40 WeakPolarHBondContact O-CB 3.34Å; A36-F40 PolarHBondContact O-N 3.35Å
37I90.4Very high85.6Confident74 Ų7467.3 Ų67.338%0.37933%0.327SS..Hα-helixtrans-63.8-46.6177.6-69.3171.1000110.8L33 W34 L39 F40 I41L33-I37 HydrophobicContact CD2-CD1 3.49Å; L33-I37 VanDerWaalsContact CD2-CD1 3.49Å; L33-I37 HydrophobicContact CD2-CG1 4.41Å; L33-I37 HydrophobicContact CG-CD1 4.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.28Å; L33-I37 PolarHBondContact O-N 2.95Å; W34-I37 PolarHBondContact O-N 3.49Å; I37-L39 VanDerWaalsContact C-N 3.31Å; I37-L39 PolarHBondContact O-N 2.96Å; I37-F40 PolarHBondContact O-N 3.44Å; I37-I41 HydrophobicContact CG2-CD1 3.96Å; I37-I41 WeakPolarHBondContact O-CG1 3.39Å; I37-I41 PolarHBondContact O-N 3Å
38T88.8Confident85.7Confident2 Ų264.5 Ų64.51%0.01232%0.315CS..Hα-helixtrans-63-39.6178.955.80000111.9W34 T35 I41 F42 L165 L168 L169W34-T38 WeakPolarHBondContact O-CG2 3.3Å; W34-T38 PolarHBondContact O-N 3.38Å; W34-T38 PolarHBondContact O-OG1 2.97Å; T35-T38 PolarHBondContact O-OG1 3.07Å; T38-I41 PolarHBondContact O-N 3.18Å; T38-F42 WeakPolarHBondContact O-CB 3.41Å; T38-F42 PolarHBondContact O-N 3.16Å; T38-L165 HydrophobicContact CG2-CD2 3.75Å; T38-L168 HydrophobicContact CG2-CD2 3.78Å; T38-L169 HydrophobicContact CG2-CD2 4.13Å; T38-L169 HydrophobicContact CG2-CG 4.33Å
39L87.7Confident85.7Confident35 Ų3566.8 Ų66.818%0.18333%0.334CS..Hα-helixtrans-61.8-43.1173.9-83.4177.2000112.9T35 A36 I37 F42 L43 L181 F182 T185T35-L39 WeakPolarHBondContact O-CB 3.47Å; T35-L39 WeakPolarHBondContact O-CG 3.33Å; T35-L39 PolarHBondContact O-N 3.42Å; A36-L39 PolarHBondContact O-N 2.85Å; I37-L39 VanDerWaalsContact C-N 3.31Å; I37-L39 PolarHBondContact O-N 2.96Å; L39-F42 WeakPolarHBondContact O-CB 3.2Å; L39-F42 PolarHBondContact O-N 2.79Å; L39-L43 WeakPolarHBondContact O-CG 3.34Å; L39-L43 PolarHBondContact O-N 3.35Å; L39-L181 HydrophobicContact CD1-CD1 4.12Å; L39-L181 HydrophobicContact CD1-CD2 3.98Å; L39-L181 HydrophobicContact CD1-CG 4.13Å; L39-L181 HydrophobicContact CD2-CD1 4.39Å; L39-L181 HydrophobicContact CD2-CD2 3.82Å; L39-L181 HydrophobicContact CD2-CG 3.66Å; L39-L181 HydrophobicContact CG-CD2 3.69Å; L39-L181 HydrophobicContact CG-CG 4.02Å; L39-F182 HydrophobicContact CD2-CD1 4.47Å; L39-T185 HydrophobicContact CD2-CG2 4.17Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.46Å
40F89.2Confident85.4Confident139 Ų13957.2 Ų57.261%0.6130%0.299SS*.Hα-helixtrans-64.1-43.6178.9-172.3-98.2000111.5A36 I37 F42 L43 V44A36-F40 WeakPolarHBondContact O-CB 3.34Å; A36-F40 PolarHBondContact O-N 3.35Å; I37-F40 PolarHBondContact O-N 3.44Å; F40-F42 VanDerWaalsContact C-N 3.32Å; F40-F42 PolarHBondContact O-N 2.94Å; F40-L43 PolarHBondContact O-N 3.38Å; F40-V44 HydrophobicContact CD1-CG2 4.07Å; F40-V44 HydrophobicContact CE1-CG2 3.7Å; F40-V44 HydrophobicContact CE2-CG2 4.5Å; F40-V44 HydrophobicContact CZ-CG2 3.94Å; F40-V44 VanDerWaalsContact O-CG2 3.31Å; F40-V44 WeakPolarHBondContact O-CG2 3.38Å; F40-V44 PolarHBondContact O-N 3.08Å
41I89.1Confident84.9Confident66 Ų6658.8 Ų58.834%0.33831%0.305SS..Hα-helixtrans-59.2-45.9174.6-65.1167.2000110.2I37 T38 V44 C45 L165I37-I41 HydrophobicContact CG2-CD1 3.96Å; I37-I41 WeakPolarHBondContact O-CG1 3.39Å; I37-I41 PolarHBondContact O-N 3Å; T38-I41 PolarHBondContact O-N 3.18Å; I41-V44 PolarHBondContact O-N 3.41Å; I41-C45 PolarHBondContact O-N 2.79Å; I41-C45 PolarHBondContact O-SG 3.44Å; I41-C45 VanDerWaalsContact O-SG 3.34Å; I41-L165 HydrophobicContact CB-CD1 4.38Å; I41-L165 HydrophobicContact CD1-CD2 4.33Å; I41-L165 HydrophobicContact CG2-CD1 3.91Å
42F86Confident83.9Confident0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-58.7-48.9177.9178.7-101.4000112.1T38 L39 F40 V44 C45 C46 A70 M77 F182T38-F42 WeakPolarHBondContact O-CB 3.41Å; T38-F42 PolarHBondContact O-N 3.16Å; L39-F42 WeakPolarHBondContact O-CB 3.2Å; L39-F42 PolarHBondContact O-N 2.79Å; F40-F42 VanDerWaalsContact C-N 3.32Å; F40-F42 PolarHBondContact O-N 2.94Å; F42-V44 PolarHBondContact O-N 2.97Å; F42-C45 PolarHBondContact O-N 2.76Å; F42-C46 PolarHBondContact O-N 2.93Å; F42-C46 PolarHBondContact O-SG 2.96Å; F42-C46 VanDerWaalsContact O-SG 3.39Å; F42-A70 HydrophobicContact CZ-CB 4.04Å; F42-M77 HydrophobicContact CD2-CE 3.79Å; F42-M77 HydrophobicContact CD2-SD 4.26Å; F42-M77 HydrophobicContact CE2-CE 4.18Å; F42-M77 HydrophobicContact CE2-SD 4.03Å; F42-F182 HydrophobicContact CB-CD1 3.96Å; F42-F182 HydrophobicContact CB-CE1 3.8Å; F42-F182 HydrophobicContact CD1-CB 4.45Å; F42-F182 AromaticContact CD1-CD1 3.84Å; F42-F182 HydrophobicContact CD1-CD1 3.84Å; F42-F182 HydrophobicContact CD1-CG 4.4Å; F42-F182 HydrophobicContact CD2-CB 4.41Å; F42-F182 AromaticContact CD2-CD1 3.71Å; F42-F182 HydrophobicContact CD2-CD1 3.71Å; F42-F182 HydrophobicContact CD2-CD2 4.38Å; F42-F182 HydrophobicContact CD2-CE1 4.02Å; F42-F182 AromaticContact CD2-CG 3.92Å; F42-F182 HydrophobicContact CD2-CG 3.92Å; F42-F182 HydrophobicContact CD2-CZ 4.48Å; F42-F182 HydrophobicContact CE1-CB 4.03Å; F42-F182 HydrophobicContact CE1-CD1 4.27Å; F42-F182 HydrophobicContact CE1-CG 4.42Å; F42-F182 HydrophobicContact CE2-CB 4Å; F42-F182 HydrophobicContact CE2-CD1 4.17Å; F42-F182 HydrophobicContact CE2-CD2 4.4Å; F42-F182 AromaticContact CE2-CG 3.95Å; F42-F182 HydrophobicContact CE2-CG 3.95Å; F42-F182 AromaticContact CG-CD1 3.54Å; F42-F182 HydrophobicContact CG-CD1 3.54Å; F42-F182 AromaticContact CG-CE1 3.87Å; F42-F182 HydrophobicContact CG-CE1 3.87Å; F42-F182 HydrophobicContact CG-CG 4.17Å; F42-F182 HydrophobicContact CZ-CB 3.8Å; F42-F182 HydrophobicContact CZ-CD1 4.44Å; F42-F182 HydrophobicContact CZ-CG 4.21Å
43L84.9Confident82.8Confident59 Ų5957.8 Ų57.831%0.30930%0.304SS..Hα-helixtrans-62.1-42.2178.6-76.2173000112.8L39 F40 C45 C46 Q47 T185L39-L43 WeakPolarHBondContact O-CG 3.34Å; L39-L43 PolarHBondContact O-N 3.35Å; F40-L43 PolarHBondContact O-N 3.38Å; L43-C45 VanDerWaalsContact C-N 3.32Å; L43-C45 PolarHBondContact O-N 3.16Å; L43-C46 WeakPolarHBondContact O-CB 3.33Å; L43-C46 PolarHBondContact O-N 3.48Å; L43-Q47 WeakPolarHBondContact O-CG 3.44Å; L43-Q47 PolarHBondContact O-N 2.82Å; L43-T185 HydrophobicContact CD1-CG2 4.26Å; L43-T185 HydrophobicContact CD2-CG2 3.64Å; L43-T185 HydrophobicContact CG-CG2 4.01Å
44V88.1Confident81Confident61 Ų6160.4 Ų60.437%0.3732%0.316SS..Hα-helixtrans-61.9-43.5176.3169.90000110.4F40 I41 F42 C46 Q47 I48F40-V44 HydrophobicContact CD1-CG2 4.07Å; F40-V44 HydrophobicContact CE1-CG2 3.7Å; F40-V44 HydrophobicContact CE2-CG2 4.5Å; F40-V44 HydrophobicContact CZ-CG2 3.94Å; F40-V44 VanDerWaalsContact O-CG2 3.31Å; F40-V44 WeakPolarHBondContact O-CG2 3.38Å; F40-V44 PolarHBondContact O-N 3.08Å; I41-V44 PolarHBondContact O-N 3.41Å; F42-V44 PolarHBondContact O-N 2.97Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 2.78Å; V44-Q47 PolarHBondContact O-N 3.23Å; V44-Q47 VanDerWaalsContact O-N 3.11Å; V44-I48 HydrophobicContact CG1-CD1 3.78Å; V44-I48 HydrophobicContact CG1-CG1 4.4Å; V44-I48 WeakPolarHBondContact O-CG1 3.37Å; V44-I48 PolarHBondContact O-N 3.33Å
45C83.6Confident79.2Confident16 Ų1658.5 Ų58.511%0.10832%0.317CS..Hα-helixtrans-65.4-32.1176.1-70.20000113.3I41 F42 L43 Q47 L76 M77I41-C45 PolarHBondContact O-N 2.79Å; I41-C45 PolarHBondContact O-SG 3.44Å; I41-C45 VanDerWaalsContact O-SG 3.34Å; F42-C45 PolarHBondContact O-N 2.76Å; L43-C45 VanDerWaalsContact C-N 3.32Å; L43-C45 PolarHBondContact O-N 3.16Å; C45-Q47 PolarHBondContact O-N 3.37Å; C45-L76 HydrophobicContact CB-CB 4.45Å; C45-L76 HydrophobicContact CB-CD1 4.49Å; C45-M77 HydrophobicContact CB-CE 3.15Å; C45-M77 HydrophobicContact CB-CG 3.93Å; C45-M77 HydrophobicContact CB-SD 4.36Å
46C78.1Confident77.4Confident1 Ų162.5 Ų62.51%0.00735%0.346CS..THydrogen-bonded Turntrans-65.4-13.9173.1-75.20000114F42 L43 V44 N72 T75F42-C46 PolarHBondContact O-N 2.93Å; F42-C46 PolarHBondContact O-SG 2.96Å; F42-C46 VanDerWaalsContact O-SG 3.39Å; L43-C46 WeakPolarHBondContact O-CB 3.33Å; L43-C46 PolarHBondContact O-N 3.48Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 2.78Å; C46-N72 PolarHBondContact O-ND2 3.3Å; C46-T75 WeakPolarHBondContact O-CG2 3.41Å
47Q80.7Confident75.5Confident120 Ų12067.6 Ų67.656%0.56137%0.365SS*.THydrogen-bonded Turntrans-110.7-18.1-175.9-65.9-66.9-22.500113.3L43 V44 C45 P49 E189L43-Q47 WeakPolarHBondContact O-CG 3.44Å; L43-Q47 PolarHBondContact O-N 2.82Å; V44-Q47 PolarHBondContact O-N 3.23Å; V44-Q47 VanDerWaalsContact O-N 3.11Å; C45-Q47 PolarHBondContact O-N 3.37Å; Q47-P49 WeakPolarHBondContact O-CD 3.32Å; Q47-E189 PolarHBondContact NE2-OE1 3.42Å
48I83.8Confident73.6Confident73 Ų7366.8 Ų66.837%0.37437%0.366SS..SBendtrans-78.1118.9178.6-66.1165.4000109.3V44 T75 L76V44-I48 HydrophobicContact CG1-CD1 3.78Å; V44-I48 HydrophobicContact CG1-CG1 4.4Å; V44-I48 WeakPolarHBondContact O-CG1 3.37Å; V44-I48 PolarHBondContact O-N 3.33Å; I48-T75 VanDerWaalsContact O-CA 3.26Å; I48-T75 WeakPolarHBondContact O-CA 3.34Å; I48-T75 WeakPolarHBondContact O-CB 3.21Å; I48-L76 HydrophobicContact CB-CD1 3.75Å; I48-L76 HydrophobicContact CB-CG 4.18Å; I48-L76 HydrophobicContact CD1-CD1 4.03Å; I48-L76 HydrophobicContact CG1-CD1 4.5Å; I48-L76 HydrophobicContact CG2-CD1 3.73Å; I48-L76 HydrophobicContact CG2-CG 4.05Å; I48-L76 PolarHBondContact O-N 3.15Å
49P80Confident71.7Confident90 Ų9068.8 Ų68.858%0.58438%0.383SS*.BIsolated β-bridgetrans-70.3151.5177.529.3-34.3000111.7Q47 G74Q47-P49 WeakPolarHBondContact O-CD 3.32Å; P49-G74 CarbonylContact C-O 3.51Å; P49-G74 VanDerWaalsContact CA-O 3.27Å; P49-G74 WeakPolarHBondContact CA-O 3.49Å
50L76.8Confident70.1Confident10 Ų1068.8 Ų68.85%0.05238%0.383CS..PPolyproline II helixtrans-71.4148.3174.1-65.7158000110.8I53 G74 T75 L76 E78 Y137 Q154 L155L50-I53 HydrophobicContact CB-CD1 3.84Å; L50-I53 HydrophobicContact CB-CG1 4.14Å; L50-I53 HydrophobicContact CD1-CD1 4.45Å; L50-G74 PolarHBondContact N-O 3.24Å; L50-T75 WeakPolarHBondContact CD1-O 3.45Å; L50-T75 WeakPolarHBondContact CG-O 3.4Å; L50-L76 HydrophobicContact CD2-CD2 4.2Å; L50-E78 HydrophobicContact CD1-CB 4.36Å; L50-Y137 HydrophobicContact CD1-CE1 4.21Å; L50-Q154 HydrophobicContact CD2-CG 4.02Å; L50-L155 HydrophobicContact CD1-CD2 3.99Å; L50-L155 HydrophobicContact CD2-CD2 3.66Å; L50-L155 HydrophobicContact CD2-CG 4.21Å; L50-L155 HydrophobicContact CG-CD2 4.47Å
51F72.6Confident68.3Low126 Ų12664.4 Ų64.455%0.55337%0.368SS*.THydrogen-bonded Turntrans-76.3128.3175-175.2-96.3000110L150 I151F51-L150 HydrophobicContact CB-CD2 4.3Å; F51-L150 HydrophobicContact CD1-CD2 3.92Å; F51-L150 HydrophobicContact CG-CD2 4.43Å; F51-I151 VanDerWaalsContact O-CG1 3.28Å; F51-I151 WeakPolarHBondContact O-CG1 3.34Å
52G64.7Low66.8Low25 Ų2562.4 Ų62.426%0.25836%0.357SS..THydrogen-bonded Turntrans97.411.7171.800000117M54G52-M54 PolarHBondContact O-N 3.5Å
53I62.1Low65.6Low46 Ų4666.1 Ų66.124%0.23637%0.372CS..  trans-73.9111.5173.5-56.3167000109.3L50 G74 Y137L50-I53 HydrophobicContact CB-CD1 3.84Å; L50-I53 HydrophobicContact CB-CG1 4.14Å; L50-I53 HydrophobicContact CD1-CD1 4.45Å; I53-G74 VanDerWaalsContact CD1-O 3.26Å; I53-G74 WeakPolarHBondContact CD1-O 3.36Å; I53-Y137 HydrophobicContact CG1-CD1 4.39Å
54M51.2Low64.5Low159 Ų15967.5 Ų67.578%0.78337%0.373SS*.  trans-96.3-18174.2-72.1-174.96900113.3G52G52-M54 PolarHBondContact O-N 3.5Å
55S49.1Very low63.4Low59 Ų5966.2 Ų66.241%0.41336%0.363SS..  trans-127.394.1-175.4-57.50000111.4D57S55-D57 VanDerWaalsContact C-N 3.34Å
56S49.5Very low62.7Low95 Ų9566.4 Ų66.466%0.66436%0.362SS*.  trans-85.4-3.9176.5-61.90000114
57D49Very low62Low164 Ų16468.1 Ų68.188%0.87737%0.372SS*.  trans-1098.2-167.6-96.3-8.3000115.9S55S55-D57 VanDerWaalsContact C-N 3.34Å
58S50.8Low61.4Low57 Ų5763.2 Ų63.240%0.39935%0.35SS..SBendtrans-72.4141.9174.757.40000111.3D60 R73S58-D60 PolarHBondContact O-N 2.9Å; S58-R73 VanDerWaalsContact O-CZ 3.29Å; S58-R73 PolarHBondContact O-NH1 3.25Å; S58-R73 PolarHBondContact O-NH2 3.23Å; S58-R73 VanDerWaalsContact O-NH2 3.12Å; S58-R73 PolarHBondContact OG-NH2 3.41Å
59A48.3Very low60.7Low43 Ų4360.8 Ų60.836%0.35534%0.337SS..  trans-58.7130.5178.300000110.7P61 A333A59-P61 WeakPolarHBondContact O-CD 3.35Å; A59-A333 HydrophobicContact CB-CB 3.87Å
60D54.4Low60.2Low35 Ų3556.5 Ų56.519%0.18731%0.309CS..  trans-83.7108.2-176.3-161.6-15.4000110.8S58 F62 R66S58-D60 PolarHBondContact O-N 2.9Å; D60-F62 PolarHBondContact O-N 3.31Å; D60-F62 PolarHBondContact OD1-N 2.91Å; D60-R66 IonicContact OD1-CZ 3.68Å; D60-R66 IonicContact OD1-NE 3.52Å; D60-R66 PolarHBondContact OD1-NE 3.49Å; D60-R66 IonicContact OD1-NH2 2.66Å; D60-R66 PolarHBondContact OD1-NH2 3.07Å; D60-R66 WeakPolarHBondContact OD2-CD 3.47Å; D60-R66 IonicContact OD2-CZ 2.77Å; D60-R66 IonicContact OD2-NE 3.46Å; D60-R66 PolarHBondContact OD2-NE 2.85Å; D60-R66 IonicContact OD2-NH2 2.62Å; D60-R66 PolarHBondContact OD2-NH2 3.47Å
61P52.3Low59.9Low47 Ų4756.3 Ų56.331%0.30531%0.309SS..THydrogen-bonded Turntrans-71.2-16.1-179.4-15.533.3000112.4A59 Q306A59-P61 WeakPolarHBondContact O-CD 3.35Å; P61-Q306 PolarHBondContact O-OE1 2.87Å
62F57.8Low59.8Low25 Ų2552.2 Ų52.211%0.1129%0.293CS..THydrogen-bonded Turntrans-109.516.2-169.9-64.7-68.3000114.3D60 W64 M65 R66 Y131 M136 V303 M307D60-F62 PolarHBondContact O-N 3.31Å; D60-F62 PolarHBondContact OD1-N 2.91Å; F62-W64 PolarHBondContact O-N 3.49Å; F62-W64 VanDerWaalsContact O-N 3.1Å; F62-M65 HydrophobicContact CB-CB 4.28Å; F62-M65 HydrophobicContact CD1-CB 4.41Å; F62-M65 HydrophobicContact CD1-SD 3.88Å; F62-M65 HydrophobicContact CE1-SD 4.27Å; F62-M65 WeakPolarHBondContact O-CA 3.28Å; F62-M65 WeakPolarHBondContact O-CB 3.41Å; F62-M65 PolarHBondContact O-N 3.44Å; F62-R66 WeakPolarHBondContact O-CG 3.35Å; F62-R66 PolarHBondContact O-N 3.35Å; F62-Y131 HydrophobicContact CD2-CE1 4.34Å; F62-Y131 HydrophobicContact CE2-CE1 4.03Å; F62-M136 HydrophobicContact CD2-CE 4.19Å; F62-M136 HydrophobicContact CD2-SD 4.36Å; F62-M136 HydrophobicContact CE2-CE 4.45Å; F62-M136 HydrophobicContact CE2-SD 4.02Å; F62-V303 HydrophobicContact CD1-CG1 4.39Å; F62-V303 HydrophobicContact CD1-CG2 3.5Å; F62-V303 HydrophobicContact CE1-CB 4.12Å; F62-V303 HydrophobicContact CE1-CG1 3.48Å; F62-V303 VanDerWaalsContact CE1-CG1 3.48Å; F62-V303 HydrophobicContact CE1-CG2 3.44Å; F62-V303 VanDerWaalsContact CE1-CG2 3.44Å; F62-V303 HydrophobicContact CZ-CG1 4.06Å; F62-M307 HydrophobicContact CZ-CE 4.12Å
63Y60.4Low60Low78 Ų7854.3 Ų54.331%0.30629%0.293SS..Hα-helixtrans-48-45.1-176.5-176-103000113.4R66 R334Y63-R66 PolarHBondContact O-N 3.32Å; Y63-R334 PolarHBondContact OH-NH2 3.37Å
64W61.6Low60.4Low87 Ų8752.7 Ų52.733%0.3329%0.288SS..Hα-helixtrans-68.7-35.2178.6-60.6105.6000113.5F62 P347F62-W64 PolarHBondContact O-N 3.49Å; F62-W64 VanDerWaalsContact O-N 3.1Å; W64-P347 HydrophobicContact CH2-CG 4.26Å; W64-P347 HydrophobicContact CZ3-CG 4.44Å
65M65.1Low61.9Low34 Ų3445.9 Ų45.917%0.16726%0.255CS..Hα-helixtrans-73-34.4179.1-151.2172.9123.900111.1F62 V67 I68 L69F62-M65 HydrophobicContact CB-CB 4.28Å; F62-M65 HydrophobicContact CD1-CB 4.41Å; F62-M65 HydrophobicContact CD1-SD 3.88Å; F62-M65 HydrophobicContact CE1-SD 4.27Å; F62-M65 WeakPolarHBondContact O-CA 3.28Å; F62-M65 WeakPolarHBondContact O-CB 3.41Å; F62-M65 PolarHBondContact O-N 3.44Å; M65-V67 VanDerWaalsContact C-N 3.32Å; M65-V67 PolarHBondContact O-N 3.03Å; M65-I68 PolarHBondContact O-N 3.21Å; M65-L69 HydrophobicContact CB-CD1 4.34Å; M65-L69 HydrophobicContact CE-CD1 3.33Å; M65-L69 HydrophobicContact CG-CD1 3.55Å; M65-L69 HydrophobicContact CG-CG 4.19Å; M65-L69 WeakPolarHBondContact O-CB 3.29Å; M65-L69 WeakPolarHBondContact O-CG 3.37Å; M65-L69 PolarHBondContact O-N 2.97Å; M65-L69 HydrophobicContact SD-CD1 4.22Å
66R68.3Low63.3Low21 Ų2144.4 Ų44.48%0.07924%0.242CC..Hα-helixtrans-60.5-37.7-178.6-75.7-170.3-167.7-866.5113.6D60 F62 Y63 I68 L69 A70 S71 E78D60-R66 IonicContact OD1-CZ 3.68Å; D60-R66 IonicContact OD1-NE 3.52Å; D60-R66 PolarHBondContact OD1-NE 3.49Å; D60-R66 IonicContact OD1-NH2 2.66Å; D60-R66 PolarHBondContact OD1-NH2 3.07Å; D60-R66 WeakPolarHBondContact OD2-CD 3.47Å; D60-R66 IonicContact OD2-CZ 2.77Å; D60-R66 IonicContact OD2-NE 3.46Å; D60-R66 PolarHBondContact OD2-NE 2.85Å; D60-R66 IonicContact OD2-NH2 2.62Å; D60-R66 PolarHBondContact OD2-NH2 3.47Å; F62-R66 WeakPolarHBondContact O-CG 3.35Å; F62-R66 PolarHBondContact O-N 3.35Å; Y63-R66 PolarHBondContact O-N 3.32Å; R66-I68 VanDerWaalsContact C-N 3.31Å; R66-I68 PolarHBondContact O-N 3.05Å; R66-L69 PolarHBondContact O-N 3.26Å; R66-A70 PolarHBondContact O-N 2.9Å; R66-S71 WeakPolarHBondContact CB-O 3.37Å; R66-S71 PolarHBondContact NH1-OG 2.89Å; R66-S71 PolarHBondContact O-N 3.17Å; R66-S71 VanDerWaalsContact O-N 3.13Å; R66-E78 IonicContact CZ-OE1 3.76Å; R66-E78 IonicContact NH1-OE1 2.55Å; R66-E78 PolarHBondContact NH1-OE1 2.73Å; R66-E78 IonicContact NH2-OE1 2.71Å; R66-E78 PolarHBondContact NH2-OE1 3.44Å
67V64.3Low64.8Low37 Ų3740 Ų4022%0.22421%0.211CC..Hα-helixtrans-61-40.2178.7178.70000111.7M65M65-V67 VanDerWaalsContact C-N 3.32Å; M65-V67 PolarHBondContact O-N 3.03Å
68I67Low66.1Low17 Ų1732.4 Ų32.49%0.08717%0.17CC..Hα-helixtrans-79.8-34.9-178.9-54.5168.4000110.8M65 R66 A70 I292 S295M65-I68 PolarHBondContact O-N 3.21Å; R66-I68 VanDerWaalsContact C-N 3.31Å; R66-I68 PolarHBondContact O-N 3.05Å; I68-A70 VanDerWaalsContact C-N 3.29Å; I68-A70 PolarHBondContact O-N 2.99Å; I68-I292 HydrophobicContact CG2-CG2 4.38Å; I68-S295 WeakPolarHBondContact CD1-OG 3.46Å
69L69.4Low67.2Low21 Ų2130 Ų3011%0.1115%0.153CC..Hα-helixtrans-84.7-2.6-175-65.5179.4000114.1M65 R66 S71 I81 S82M65-L69 HydrophobicContact CB-CD1 4.34Å; M65-L69 HydrophobicContact CE-CD1 3.33Å; M65-L69 HydrophobicContact CG-CD1 3.55Å; M65-L69 HydrophobicContact CG-CG 4.19Å; M65-L69 WeakPolarHBondContact O-CB 3.29Å; M65-L69 WeakPolarHBondContact O-CG 3.37Å; M65-L69 PolarHBondContact O-N 2.97Å; M65-L69 HydrophobicContact SD-CD1 4.22Å; R66-L69 PolarHBondContact O-N 3.26Å; L69-S71 PolarHBondContact O-N 3.07Å; L69-I81 PolarHBondContact O-N 3.23Å; L69-S82 VanDerWaalsContact CD1-CB 3.46Å
70A69.1Low68.8Low0 Ų028.1 Ų28.10%014%0.138CC..THydrogen-bonded Turntrans49.148.4-172.100000111.4F42 R66 I68 I81 N186F42-A70 HydrophobicContact CZ-CB 4.04Å; R66-A70 PolarHBondContact O-N 2.9Å; I68-A70 VanDerWaalsContact C-N 3.29Å; I68-A70 PolarHBondContact O-N 2.99Å; A70-I81 HydrophobicContact CB-CD1 3.64Å; A70-I81 HydrophobicContact CB-CG1 4.18Å; A70-N186 HydrophobicContact CB-CB 3.66Å
71S70.5Confident70Confident7 Ų726.5 Ų26.55%0.04913%0.129CC..  trans-109.9126.5-176.6162.40000110.4R66 L69 M77 E78R66-S71 WeakPolarHBondContact CB-O 3.37Å; R66-S71 PolarHBondContact NH1-OG 2.89Å; R66-S71 PolarHBondContact O-N 3.17Å; R66-S71 VanDerWaalsContact O-N 3.13Å; L69-S71 PolarHBondContact O-N 3.07Å; S71-M77 WeakPolarHBondContact CA-O 3.43Å; S71-M77 PolarHBondContact OG-O 3.14Å; S71-E78 WeakPolarHBondContact CB-O 3.44Å; S71-E78 PolarHBondContact OG-O 3.32Å
72N71.3Confident71.3Confident39 Ų3924.3 Ų24.321%0.20912%0.115CC..  trans-104.3129.2172.1-69-10.9000108.9C46 T75 N186C46-N72 PolarHBondContact O-ND2 3.3Å; N72-T75 HydrophobicContact CB-CG2 3.95Å; N72-T75 WeakPolarHBondContact CB-OG1 3.49Å; N72-T75 PolarHBondContact O-OG1 3.31Å; N72-N186 PolarHBondContact OD1-ND2 3.22Å
73R69.4Low72.5Confident70 Ų7023.2 Ų23.226%0.26411%0.111SC..THydrogen-bonded Turntrans-63.3136.9-179.7-178.3175.3174164.6-4111.5S58 T75S58-R73 VanDerWaalsContact O-CZ 3.29Å; S58-R73 PolarHBondContact O-NH1 3.25Å; S58-R73 PolarHBondContact O-NH2 3.23Å; S58-R73 VanDerWaalsContact O-NH2 3.12Å; S58-R73 PolarHBondContact OG-NH2 3.41Å; R73-T75 PolarHBondContact O-N 3.42Å
74G70Confident73.5Confident12 Ų1219.9 Ų19.912%0.12410%0.098CC..THydrogen-bonded Turntrans74.114.617300000114.2P49 L50 I53 E78P49-G74 CarbonylContact C-O 3.51Å; P49-G74 VanDerWaalsContact CA-O 3.27Å; P49-G74 WeakPolarHBondContact CA-O 3.49Å; L50-G74 PolarHBondContact N-O 3.24Å; I53-G74 VanDerWaalsContact CD1-O 3.26Å; I53-G74 WeakPolarHBondContact CD1-O 3.36Å; G74-E78 WeakPolarHBondContact CA-OE2 3.43Å; G74-E78 PolarHBondContact N-OE2 3.08Å
75T82.4Confident74.4Confident15 Ų1516.9 Ų16.99%0.0929%0.09CC..BIsolated β-bridgetrans-116.6167.5-179.571.50000110.6C46 I48 L50 N72 R73 M77 E78C46-T75 WeakPolarHBondContact O-CG2 3.41Å; I48-T75 VanDerWaalsContact O-CA 3.26Å; I48-T75 WeakPolarHBondContact O-CA 3.34Å; I48-T75 WeakPolarHBondContact O-CB 3.21Å; L50-T75 WeakPolarHBondContact CD1-O 3.45Å; L50-T75 WeakPolarHBondContact CG-O 3.4Å; N72-T75 HydrophobicContact CB-CG2 3.95Å; N72-T75 WeakPolarHBondContact CB-OG1 3.49Å; N72-T75 PolarHBondContact O-OG1 3.31Å; R73-T75 PolarHBondContact O-N 3.42Å; T75-M77 PolarHBondContact O-N 3.09Å; T75-M77 PolarHBondContact OG1-N 3.34Å; T75-E78 PolarHBondContact O-N 2.89Å
76L79Confident75.1Confident28 Ų2817.5 Ų17.515%0.14710%0.095CC..THydrogen-bonded Turntrans-51.9-24.5172.7-69.7173.4000112.9C45 I48 L50 Q154 A158C45-L76 HydrophobicContact CB-CB 4.45Å; C45-L76 HydrophobicContact CB-CD1 4.49Å; I48-L76 HydrophobicContact CB-CD1 3.75Å; I48-L76 HydrophobicContact CB-CG 4.18Å; I48-L76 HydrophobicContact CD1-CD1 4.03Å; I48-L76 HydrophobicContact CG1-CD1 4.5Å; I48-L76 HydrophobicContact CG2-CD1 3.73Å; I48-L76 HydrophobicContact CG2-CG 4.05Å; I48-L76 PolarHBondContact O-N 3.15Å; L50-L76 HydrophobicContact CD2-CD2 4.2Å; L76-Q154 HydrophobicContact CD2-CG 3.47Å; L76-Q154 VanDerWaalsContact CD2-CG 3.47Å; L76-A158 HydrophobicContact CB-CB 4.13Å; L76-A158 HydrophobicContact CD2-CB 4.39Å; L76-A158 VanDerWaalsContact O-CB 3.25Å; L76-A158 WeakPolarHBondContact O-CB 3.18Å
77M80.8Confident75.8Confident4 Ų416.7 Ų16.72%0.029%0.093CC..THydrogen-bonded Turntrans-94.627.4-179-66.2-65.7-179.900113.8F42 C45 S71 T75 L79 G80 V162F42-M77 HydrophobicContact CD2-CE 3.79Å; F42-M77 HydrophobicContact CD2-SD 4.26Å; F42-M77 HydrophobicContact CE2-CE 4.18Å; F42-M77 HydrophobicContact CE2-SD 4.03Å; C45-M77 HydrophobicContact CB-CE 3.15Å; C45-M77 HydrophobicContact CB-CG 3.93Å; C45-M77 HydrophobicContact CB-SD 4.36Å; S71-M77 WeakPolarHBondContact CA-O 3.43Å; S71-M77 PolarHBondContact OG-O 3.14Å; T75-M77 PolarHBondContact O-N 3.09Å; T75-M77 PolarHBondContact OG1-N 3.34Å; M77-L79 PolarHBondContact O-N 3.38Å; M77-G80 WeakPolarHBondContact O-CA 3.45Å; M77-G80 PolarHBondContact O-N 3.37Å; M77-V162 HydrophobicContact CE-CG2 3.39Å; M77-V162 HydrophobicContact SD-CG2 3.4Å; M77-V162 WeakPolarHBondContact SD-CG2 3.25Å
78E75.6Confident76.5Confident3 Ų315.1 Ų15.11%0.0148%0.084CC..SBendtrans-62.1-39.7178.5-172.9125.7-157.400113.4L50 R66 S71 G74 T75 G80 Y137 L155L50-E78 HydrophobicContact CD1-CB 4.36Å; R66-E78 IonicContact CZ-OE1 3.76Å; R66-E78 IonicContact NH1-OE1 2.55Å; R66-E78 PolarHBondContact NH1-OE1 2.73Å; R66-E78 IonicContact NH2-OE1 2.71Å; R66-E78 PolarHBondContact NH2-OE1 3.44Å; S71-E78 WeakPolarHBondContact CB-O 3.44Å; S71-E78 PolarHBondContact OG-O 3.32Å; G74-E78 WeakPolarHBondContact CA-OE2 3.43Å; G74-E78 PolarHBondContact N-OE2 3.08Å; T75-E78 PolarHBondContact O-N 2.89Å; E78-G80 PolarHBondContact O-N 3.28Å; E78-Y137 WeakPolarHBondContact CG-OH 3.44Å; E78-Y137 PolarHBondContact OE1-OH 2.85Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.19Å; E78-Y137 PolarHBondContact OE2-OH 3.36Å; E78-L155 HydrophobicContact CB-CD2 4.11Å
79L75.2Confident76.9Confident6 Ų616.7 Ų16.73%0.0319%0.093CC..SBendtrans-74.1-19.2172.3-74.491.1000112.4M77 S82 P83 T124 Q127 A128 Y131 L155M77-L79 PolarHBondContact O-N 3.38Å; L79-S82 VanDerWaalsContact O-CB 3.25Å; L79-S82 WeakPolarHBondContact O-CB 3.43Å; L79-S82 PolarHBondContact O-N 3.33Å; L79-S82 PolarHBondContact O-OG 3.3Å; L79-P83 HydrophobicContact CB-CG 4.28Å; L79-P83 HydrophobicContact CD2-CG 4.06Å; L79-T124 WeakPolarHBondContact CD2-O 3.27Å; L79-Q127 HydrophobicContact CD2-CB 3.56Å; L79-Q127 HydrophobicContact CG-CB 4.48Å; L79-A128 HydrophobicContact CD1-CB 4.46Å; L79-A128 HydrophobicContact CD2-CB 4.5Å; L79-Y131 HydrophobicContact CG-CD2 4.38Å; L79-Y131 HydrophobicContact CG-CE2 4.39Å; L79-L155 HydrophobicContact CD1-CB 3.75Å; L79-L155 HydrophobicContact CD1-CD1 3.86Å; L79-L155 HydrophobicContact CD1-CD2 3.72Å; L79-L155 HydrophobicContact CD1-CG 3.98Å
80G80.3Confident77.4Confident5 Ų519.5 Ų19.55%0.05211%0.107CC..THydrogen-bonded Turntrans50.6-138.1-17600000112.7M77 E78 S82M77-G80 WeakPolarHBondContact O-CA 3.45Å; M77-G80 PolarHBondContact O-N 3.37Å; E78-G80 PolarHBondContact O-N 3.28Å; G80-S82 VanDerWaalsContact C-N 3.28Å
81I80.6Confident77.9Confident0 Ų019.8 Ų19.80%011%0.108CC..THydrogen-bonded Turntrans-90.73.7178.5-39.7158.3000110.7L69 A70 P83 I84 V85 I179 F182 I183L69-I81 PolarHBondContact O-N 3.23Å; A70-I81 HydrophobicContact CB-CD1 3.64Å; A70-I81 HydrophobicContact CB-CG1 4.18Å; I81-P83 VanDerWaalsContact C-CD 3.48Å; I81-I84 HydrophobicContact CG2-CB 3.99Å; I81-I84 HydrophobicContact CG2-CD1 4.17Å; I81-I84 HydrophobicContact CG2-CG2 4.42Å; I81-I84 WeakPolarHBondContact O-CB 3.44Å; I81-I84 PolarHBondContact O-N 2.98Å; I81-V85 HydrophobicContact CB-CG2 4.38Å; I81-V85 HydrophobicContact CG2-CG2 3.94Å; I81-V85 PolarHBondContact O-N 3.29Å; I81-I179 HydrophobicContact CG2-CB 4.31Å; I81-I179 HydrophobicContact CG2-CG1 3.98Å; I81-I179 HydrophobicContact CG2-CG2 4.12Å; I81-F182 HydrophobicContact CD1-CB 3.37Å; I81-F182 HydrophobicContact CD1-CD2 4.3Å; I81-F182 HydrophobicContact CD1-CG 4.35Å; I81-F182 HydrophobicContact CG1-CB 4.03Å; I81-F182 HydrophobicContact CG1-CD2 4.24Å; I81-I183 HydrophobicContact CD1-CG1 3.64Å
82S80.4Confident78.1Confident1 Ų123.5 Ų23.51%0.00713%0.125CC..Hα-helixtrans-58.7-40.5-171.180.50000114.8L69 L79 G80 I84 T86 Q127L69-S82 VanDerWaalsContact CD1-CB 3.46Å; L79-S82 VanDerWaalsContact O-CB 3.25Å; L79-S82 WeakPolarHBondContact O-CB 3.43Å; L79-S82 PolarHBondContact O-N 3.33Å; L79-S82 PolarHBondContact O-OG 3.3Å; G80-S82 VanDerWaalsContact C-N 3.28Å; S82-I84 PolarHBondContact O-N 3.37Å; S82-T86 VanDerWaalsContact O-CB 3.31Å; S82-T86 WeakPolarHBondContact O-CB 3.44Å; S82-T86 VanDerWaalsContact O-CG2 3.26Å; S82-T86 WeakPolarHBondContact O-CG2 3.46Å; S82-T86 PolarHBondContact O-N 3.14Å; S82-T86 PolarHBondContact O-OG1 2.55Å; S82-Q127 PolarHBondContact OG-OE1 3.12Å
83P81.4Confident78.3Confident3 Ų327.3 Ų27.32%0.01914%0.144CC..Hα-helixtrans-68-28.1178-21.738000112.7L79 I81 T86 S87 I123 T124L79-P83 HydrophobicContact CB-CG 4.28Å; L79-P83 HydrophobicContact CD2-CG 4.06Å; I81-P83 VanDerWaalsContact C-CD 3.48Å; P83-T86 WeakPolarHBondContact CA-OG1 3.29Å; P83-T86 PolarHBondContact O-OG1 3.18Å; P83-S87 VanDerWaalsContact O-CB 3.28Å; P83-S87 WeakPolarHBondContact O-CB 3.41Å; P83-S87 PolarHBondContact O-N 2.95Å; P83-S87 VanDerWaalsContact O-N 3.11Å; P83-S87 PolarHBondContact O-OG 3.49Å; P83-I123 HydrophobicContact CB-CB 4.3Å; P83-I123 HydrophobicContact CB-CG2 3.96Å; P83-T124 HydrophobicContact CB-CG2 3.43Å; P83-T124 VanDerWaalsContact CB-CG2 3.43Å; P83-T124 HydrophobicContact CG-CG2 3.55Å
84I82.8Confident78.7Confident8 Ų826.3 Ų26.34%0.04114%0.144CC..Hα-helixtrans-79.9-45-177.8-58.2170.6000109.8I81 S82 S87 G88 V162 L163 I179I81-I84 HydrophobicContact CG2-CB 3.99Å; I81-I84 HydrophobicContact CG2-CD1 4.17Å; I81-I84 HydrophobicContact CG2-CG2 4.42Å; I81-I84 WeakPolarHBondContact O-CB 3.44Å; I81-I84 PolarHBondContact O-N 2.98Å; S82-I84 PolarHBondContact O-N 3.37Å; I84-S87 PolarHBondContact O-OG 3.44Å; I84-G88 PolarHBondContact O-N 3.43Å; I84-V162 HydrophobicContact CD1-CB 4.23Å; I84-V162 HydrophobicContact CD1-CG1 3.54Å; I84-L163 HydrophobicContact CD1-CB 4.3Å; I84-L163 HydrophobicContact CG1-CG 4.39Å; I84-I179 HydrophobicContact CG2-CD1 3.75Å; I84-I179 HydrophobicContact CG2-CG1 3.87Å
85V80.6Confident78.8Confident24 Ų2427.2 Ų27.215%0.14515%0.151CC..Hα-helixtrans-66.1-43.5176.11760000110.6I81 G88 L89 I179I81-V85 HydrophobicContact CB-CG2 4.38Å; I81-V85 HydrophobicContact CG2-CG2 3.94Å; I81-V85 PolarHBondContact O-N 3.29Å; V85-G88 PolarHBondContact O-N 2.89Å; V85-L89 HydrophobicContact CG1-CD1 3.63Å; V85-L89 HydrophobicContact CG1-CG 4.27Å; V85-L89 WeakPolarHBondContact O-CB 3.39Å; V85-L89 VanDerWaalsContact O-CG 3.28Å; V85-L89 WeakPolarHBondContact O-CG 3.34Å; V85-L89 PolarHBondContact O-N 3.42Å; V85-I179 HydrophobicContact CG2-CD1 4.47Å; V85-I179 HydrophobicContact CG2-CG2 3.63Å
86T79.9Confident78.1Confident47 Ų4727.9 Ų27.929%0.28816%0.161SC..Hα-helixtrans-65.9-44.4179.550.50000111.9S82 P83 G88 L89 I90S82-T86 VanDerWaalsContact O-CB 3.31Å; S82-T86 WeakPolarHBondContact O-CB 3.44Å; S82-T86 VanDerWaalsContact O-CG2 3.26Å; S82-T86 WeakPolarHBondContact O-CG2 3.46Å; S82-T86 PolarHBondContact O-N 3.14Å; S82-T86 PolarHBondContact O-OG1 2.55Å; P83-T86 WeakPolarHBondContact CA-OG1 3.29Å; P83-T86 PolarHBondContact O-OG1 3.18Å; T86-G88 VanDerWaalsContact C-N 3.34Å; T86-G88 PolarHBondContact O-N 3.31Å; T86-L89 PolarHBondContact O-N 3.45Å; T86-I90 WeakPolarHBondContact O-CB 3.16Å; T86-I90 WeakPolarHBondContact O-CD1 3.45Å; T86-I90 WeakPolarHBondContact O-CG1 3.32Å; T86-I90 PolarHBondContact O-N 3.33Å
87S81.8Confident77.8Confident3 Ų329.2 Ų29.22%0.02118%0.176CC..Hα-helixtrans-63.9-40.2176.374.40000112.2P83 I84 M91 Q116P83-S87 VanDerWaalsContact O-CB 3.28Å; P83-S87 WeakPolarHBondContact O-CB 3.41Å; P83-S87 PolarHBondContact O-N 2.95Å; P83-S87 VanDerWaalsContact O-N 3.11Å; P83-S87 PolarHBondContact O-OG 3.49Å; I84-S87 PolarHBondContact O-OG 3.44Å; S87-M91 WeakPolarHBondContact O-CB 3.48Å; S87-M91 WeakPolarHBondContact O-CG 3.37Å; S87-M91 PolarHBondContact O-N 2.92Å; S87-Q116 WeakPolarHBondContact CB-O 3.27Å; S87-Q116 PolarHBondContact OG-O 2.93Å
88G79.2Confident77.3Confident5 Ų537.4 Ų37.45%0.05221%0.211CC..Hα-helixtrans-63.2-47.2176.800000112.8I84 V85 T86 M91 Q92 Q116I84-G88 PolarHBondContact O-N 3.43Å; V85-G88 PolarHBondContact O-N 2.89Å; T86-G88 VanDerWaalsContact C-N 3.34Å; T86-G88 PolarHBondContact O-N 3.31Å; G88-M91 PolarHBondContact O-N 3.27Å; G88-Q92 VanDerWaalsContact O-CB 3.31Å; G88-Q92 WeakPolarHBondContact O-CB 3.28Å; G88-Q92 WeakPolarHBondContact O-CG 3.33Å; G88-Q92 PolarHBondContact O-N 2.83Å; G88-Q116 VanDerWaalsContact CA-NE2 3.26Å
89L75.7Confident77.2Confident50 Ų5043.3 Ų43.326%0.26224%0.241SC..Hα-helixtrans-62.8-44.2177.1-77167.9000112.3V85 T86 M91 Q92 L93 L293V85-L89 HydrophobicContact CG1-CD1 3.63Å; V85-L89 HydrophobicContact CG1-CG 4.27Å; V85-L89 WeakPolarHBondContact O-CB 3.39Å; V85-L89 VanDerWaalsContact O-CG 3.28Å; V85-L89 WeakPolarHBondContact O-CG 3.34Å; V85-L89 PolarHBondContact O-N 3.42Å; T86-L89 PolarHBondContact O-N 3.45Å; L89-M91 VanDerWaalsContact C-N 3.35Å; L89-M91 PolarHBondContact O-N 3.02Å; L89-Q92 PolarHBondContact O-N 3.19Å; L89-L93 VanDerWaalsContact O-CB 3.25Å; L89-L93 WeakPolarHBondContact O-CB 3.25Å; L89-L93 PolarHBondContact O-N 3.47Å; L89-L293 HydrophobicContact CD1-CD2 4.4Å; L89-L293 HydrophobicContact CD2-CD2 3.55Å
90I80.3Confident76.8Confident79 Ų7944.4 Ų44.441%0.40525%0.247SC..Hα-helixtrans-61.5-46.2177.6-69.1164.7000110.1T86 L93 L94 I123T86-I90 WeakPolarHBondContact O-CB 3.16Å; T86-I90 WeakPolarHBondContact O-CD1 3.45Å; T86-I90 WeakPolarHBondContact O-CG1 3.32Å; T86-I90 PolarHBondContact O-N 3.33Å; I90-L93 PolarHBondContact O-N 2.88Å; I90-L94 HydrophobicContact CG2-CD1 3.83Å; I90-L94 HydrophobicContact CG2-CG 4.49Å; I90-L94 WeakPolarHBondContact O-CB 3.05Å; I90-L94 VanDerWaalsContact O-CG 3.24Å; I90-L94 WeakPolarHBondContact O-CG 3.35Å; I90-L94 PolarHBondContact O-N 2.95Å; I90-I123 HydrophobicContact CD1-CD1 4.35Å
91M80Confident75.9Confident6 Ų652.7 Ų52.73%0.0328%0.284CS..Hα-helixtrans-65.9-41.6179.2-78.8-64.1179.500112.9S87 G88 L89 L94 A95 F112 A115 Q116 F119S87-M91 WeakPolarHBondContact O-CB 3.48Å; S87-M91 WeakPolarHBondContact O-CG 3.37Å; S87-M91 PolarHBondContact O-N 2.92Å; G88-M91 PolarHBondContact O-N 3.27Å; L89-M91 VanDerWaalsContact C-N 3.35Å; L89-M91 PolarHBondContact O-N 3.02Å; M91-L94 PolarHBondContact O-N 3.3Å; M91-L94 HydrophobicContact SD-CD1 4.42Å; M91-A95 WeakPolarHBondContact O-CB 3.1Å; M91-A95 PolarHBondContact O-N 3.08Å; M91-F112 HydrophobicContact CB-CE1 4.34Å; M91-F112 HydrophobicContact CB-CE2 3.96Å; M91-F112 HydrophobicContact CB-CZ 3.61Å; M91-F112 HydrophobicContact SD-CE2 4.22Å; M91-A115 HydrophobicContact CE-CB 3.86Å; M91-Q116 HydrophobicContact CG-CB 4.12Å; M91-Q116 HydrophobicContact CG-CG 4.35Å; M91-F119 HydrophobicContact CE-CD2 3.03Å; M91-F119 HydrophobicContact CE-CE2 3.23Å; M91-F119 HydrophobicContact CE-CG 3.91Å; M91-F119 HydrophobicContact CE-CZ 4.24Å
92Q74.3Confident75.1Confident86 Ų8655 Ų5540%0.40230%0.298SS..Hα-helixtrans-64.3-40.8174.9-75.4174.1-5.300111.8G88 L89 A95 G96G88-Q92 VanDerWaalsContact O-CB 3.31Å; G88-Q92 WeakPolarHBondContact O-CB 3.28Å; G88-Q92 WeakPolarHBondContact O-CG 3.33Å; G88-Q92 PolarHBondContact O-N 2.83Å; L89-Q92 PolarHBondContact O-N 3.19Å; Q92-A95 PolarHBondContact O-N 2.92Å; Q92-G96 PolarHBondContact O-N 3.28Å
93L74.3Confident74.2Confident118 Ų11856.2 Ų56.262%0.61831%0.311SS*.Hα-helixtrans-64.2-43.5176.2-176.369.5000111.4L89 I90 G96 A97L89-L93 VanDerWaalsContact O-CB 3.25Å; L89-L93 WeakPolarHBondContact O-CB 3.25Å; L89-L93 PolarHBondContact O-N 3.47Å; I90-L93 PolarHBondContact O-N 2.88Å; L93-G96 PolarHBondContact O-N 3.44Å; L93-A97 VanDerWaalsContact O-CB 3.22Å; L93-A97 WeakPolarHBondContact O-CB 3.32Å; L93-A97 PolarHBondContact O-N 3.43Å
94L77.6Confident73.4Confident49 Ų4962.3 Ų62.326%0.25734%0.343SS..Hα-helixtrans-64-39.6177.9-73.9165.8000112.6I90 M91 I99 I100I90-L94 HydrophobicContact CG2-CD1 3.83Å; I90-L94 HydrophobicContact CG2-CG 4.49Å; I90-L94 WeakPolarHBondContact O-CB 3.05Å; I90-L94 VanDerWaalsContact O-CG 3.24Å; I90-L94 WeakPolarHBondContact O-CG 3.35Å; I90-L94 PolarHBondContact O-N 2.95Å; M91-L94 PolarHBondContact O-N 3.3Å; M91-L94 HydrophobicContact SD-CD1 4.42Å; L94-I99 HydrophobicContact CD2-CD1 4.43Å; L94-I99 HydrophobicContact CD2-CG2 4.43Å; L94-I99 PolarHBondContact O-N 2.67Å; L94-I100 HydrophobicContact CB-CD1 3.83Å; L94-I100 HydrophobicContact CB-CG1 4.19Å; L94-I100 HydrophobicContact CD1-CD1 4.04Å; L94-I100 HydrophobicContact CG-CD1 4.37Å; L94-I100 PolarHBondContact O-N 3.26Å
95A72.8Confident73Confident32 Ų3265 Ų6526%0.26436%0.361SS..Hα-helixtrans-69-44.3174.300000111.6M91 Q92 K98 V102 F112M91-A95 WeakPolarHBondContact O-CB 3.1Å; M91-A95 PolarHBondContact O-N 3.08Å; Q92-A95 PolarHBondContact O-N 2.92Å; A95-K98 WeakPolarHBondContact O-CA 3.37Å; A95-K98 PolarHBondContact O-N 3.34Å; A95-V102 HydrophobicContact CB-CG2 4.25Å; A95-F112 HydrophobicContact CB-CE2 4.23Å; A95-F112 HydrophobicContact CB-CZ 4.48Å
96G68.2Low72.6Confident29 Ų2969.2 Ų69.230%0.29939%0.388SS..Hα-helixtrans-67.6-37.3-179.500000113.8Q92 L93 K98Q92-G96 PolarHBondContact O-N 3.28Å; L93-G96 PolarHBondContact O-N 3.44Å; G96-K98 PolarHBondContact O-N 2.97Å; G96-K98 VanDerWaalsContact O-N 3.14Å
97A72.5Confident72.3Confident56 Ų5675 Ų7546%0.46341%0.409SS..THydrogen-bonded Turntrans-69.7-2.5172.100000113.1L93 I99L93-A97 VanDerWaalsContact O-CB 3.22Å; L93-A97 WeakPolarHBondContact O-CB 3.32Å; L93-A97 PolarHBondContact O-N 3.43Å; A97-I99 HydrophobicContact CB-CD1 3.84Å; A97-I99 HydrophobicContact CB-CG1 3.89Å; A97-I99 PolarHBondContact O-N 3.41Å; A97-I99 VanDerWaalsContact O-N 3.07Å
98K69.8Low71.9Confident176 Ų17676.1 Ų76.177%0.76542%0.415SS*.THydrogen-bonded Turntrans54.821.6-175.2-58.7-179.1179.3178.10113.7A95 G96 I100A95-K98 WeakPolarHBondContact O-CA 3.37Å; A95-K98 PolarHBondContact O-N 3.34Å; G96-K98 PolarHBondContact O-N 2.97Å; G96-K98 VanDerWaalsContact O-N 3.14Å; K98-I100 VanDerWaalsContact C-N 3.27Å
99I73.8Confident71.6Confident126 Ų12682.3 Ų82.365%0.64644%0.437SS*.SBendtrans-69.8-35.1172.1-63.1170.6000108.9L94 A97L94-I99 HydrophobicContact CD2-CD1 4.43Å; L94-I99 HydrophobicContact CD2-CG2 4.43Å; L94-I99 PolarHBondContact O-N 2.67Å; A97-I99 HydrophobicContact CB-CD1 3.84Å; A97-I99 HydrophobicContact CB-CG1 3.89Å; A97-I99 PolarHBondContact O-N 3.41Å; A97-I99 VanDerWaalsContact O-N 3.07Å
100I67.4Low71.6Confident29 Ų2982.4 Ų82.415%0.14945%0.445CS..SBendtrans-113.7113173.1-56-178.6000108.6F5 L94 K98 V102F5-I100 HydrophobicContact CD1-CD1 4.42Å; L94-I100 HydrophobicContact CB-CD1 3.83Å; L94-I100 HydrophobicContact CB-CG1 4.19Å; L94-I100 HydrophobicContact CD1-CD1 4.04Å; L94-I100 HydrophobicContact CG-CD1 4.37Å; L94-I100 PolarHBondContact O-N 3.26Å; K98-I100 VanDerWaalsContact C-N 3.27Å; I100-V102 HydrophobicContact CG2-CG2 3.91Å; I100-V102 PolarHBondContact O-N 3.02Å; I100-V102 VanDerWaalsContact O-N 3.12Å
101E61.6Low71.4Confident179 Ų17980 Ų8084%0.83643%0.432SS*.  trans-75.596169.1-68.5-176.3171.100109.3
102V62.8Low71.3Confident49 Ų4981.1 Ų81.130%0.29744%0.437SS..  trans-84.2112.4170.2-174.20000107.7A95 I100 F112A95-V102 HydrophobicContact CB-CG2 4.25Å; I100-V102 HydrophobicContact CG2-CG2 3.91Å; I100-V102 PolarHBondContact O-N 3.02Å; I100-V102 VanDerWaalsContact O-N 3.12Å; V102-F112 HydrophobicContact CG1-CB 4.2Å; V102-F112 HydrophobicContact CG1-CD2 4.27Å; V102-F112 HydrophobicContact CG1-CG 4.36Å; V102-F112 HydrophobicContact CG2-CD2 3.55Å; V102-F112 HydrophobicContact CG2-CE2 3.88Å; V102-F112 HydrophobicContact CG2-CG 4.42Å
103G61.6Low71.4Confident27 Ų2781.1 Ų81.128%0.27844%0.44SS..  trans-68.3152.5173.300000111.6T105 D108G103-T105 PolarHBondContact O-N 3.48Å; G103-T105 VanDerWaalsContact O-N 3.12Å; G103-D108 WeakPolarHBondContact O-CB 3.41Å
104D65Low71.6Confident130 Ų13076.2 Ų76.270%0.69542%0.418SS*.SBendtrans-72.54173.3-83.4-48.9000113.7R109D104-R109 IonicContact OD1-CZ 3.83Å; D104-R109 IonicContact OD1-NE 3.69Å; D104-R109 IonicContact OD1-NH2 3.08Å; D104-R109 PolarHBondContact OD1-NH2 3.45Å
105T74.6Confident71.8Confident66 Ų6674 Ų7441%0.40541%0.407SS..SBendtrans-67.7144.5179.779.20000110.5G103 K107 D108 R109G103-T105 PolarHBondContact O-N 3.48Å; G103-T105 VanDerWaalsContact O-N 3.12Å; T105-K107 PolarHBondContact O-N 3.21Å; T105-K107 VanDerWaalsContact O-N 3.12Å; T105-D108 PolarHBondContact O-N 3Å; T105-D108 VanDerWaalsContact O-N 3.11Å; T105-D108 WeakPolarHBondContact OG1-CB 3.39Å; T105-D108 PolarHBondContact OG1-N 3.22Å; T105-D108 VanDerWaalsContact OG1-N 3.16Å; T105-D108 PolarHBondContact OG1-OD2 2.92Å; T105-R109 PolarHBondContact O-N 3.19Å
106P71.4Confident72.1Confident111 Ų11174 Ų7472%0.72140%0.401SS*.Hα-helixtrans-60.7-26.1179.523-33.5000112.6A110P106-A110 WeakPolarHBondContact O-CB 3.48Å; P106-A110 PolarHBondContact O-N 2.74Å; P106-A110 VanDerWaalsContact O-N 3.14Å
107K73.8Confident72.7Confident169 Ų16973.6 Ų73.674%0.73539%0.391SS*.Hα-helixtrans-71.9-44.8175.2-68.2-175.3178.3-179.70111.8T105 R109 A110 L111T105-K107 PolarHBondContact O-N 3.21Å; T105-K107 VanDerWaalsContact O-N 3.12Å; K107-R109 VanDerWaalsContact C-N 3.35Å; K107-A110 PolarHBondContact O-N 2.92Å; K107-L111 WeakPolarHBondContact O-CG 3.24Å; K107-L111 PolarHBondContact O-N 3.38Å
108D74.1Confident73.3Confident26 Ų2672.1 Ų72.114%0.13938%0.376CS..Hα-helixtrans-67.6-37.1179.2-63.9-35.3000111.3G103 T105 L111 F112G103-D108 WeakPolarHBondContact O-CB 3.41Å; T105-D108 PolarHBondContact O-N 3Å; T105-D108 VanDerWaalsContact O-N 3.11Å; T105-D108 WeakPolarHBondContact OG1-CB 3.39Å; T105-D108 PolarHBondContact OG1-N 3.22Å; T105-D108 VanDerWaalsContact OG1-N 3.16Å; T105-D108 PolarHBondContact OG1-OD2 2.92Å; D108-L111 PolarHBondContact O-N 3.38Å; D108-F112 WeakPolarHBondContact O-CB 3.38Å; D108-F112 PolarHBondContact O-N 3.43Å
109R73.3Confident74Confident136 Ų13666.7 Ų66.751%0.51335%0.352SS..Hα-helixtrans-63.6-40.5172.5-70-174177.2-172.61.7112.8D104 T105 K107 F112 N113D104-R109 IonicContact OD1-CZ 3.83Å; D104-R109 IonicContact OD1-NE 3.69Å; D104-R109 IonicContact OD1-NH2 3.08Å; D104-R109 PolarHBondContact OD1-NH2 3.45Å; T105-R109 PolarHBondContact O-N 3.19Å; K107-R109 VanDerWaalsContact C-N 3.35Å; R109-F112 PolarHBondContact O-N 3.41Å; R109-N113 VanDerWaalsContact O-CG 3.25Å; R109-N113 PolarHBondContact O-N 2.85Å; R109-N113 PolarHBondContact O-OD1 2.89Å
110A73.8Confident74.5Confident51 Ų5160.7 Ų60.742%0.42132%0.321SS..Hα-helixtrans-64.6-41.7175.200000111.6P106 K107 N113 G114P106-A110 WeakPolarHBondContact O-CB 3.48Å; P106-A110 PolarHBondContact O-N 2.74Å; P106-A110 VanDerWaalsContact O-N 3.14Å; K107-A110 PolarHBondContact O-N 2.92Å; A110-N113 PolarHBondContact O-N 3.39Å; A110-G114 PolarHBondContact O-N 2.99Å
111L75.9Confident75.4Confident28 Ų2861 Ų6115%0.14732%0.322CS..Hα-helixtrans-65.7-39.1175.7-70.4171.3000112.3L6 K10 K107 D108 G114 A115L6-L111 HydrophobicContact CB-CD1 4.31Å; L6-L111 HydrophobicContact CD2-CB 3.94Å; K10-L111 HydrophobicContact CG-CD2 3.75Å; K107-L111 WeakPolarHBondContact O-CG 3.24Å; K107-L111 PolarHBondContact O-N 3.38Å; D108-L111 PolarHBondContact O-N 3.38Å; L111-G114 PolarHBondContact O-N 2.88Å; L111-A115 VanDerWaalsContact O-CB 3.3Å; L111-A115 WeakPolarHBondContact O-CB 3.41Å; L111-A115 PolarHBondContact O-N 3.19Å
112F78.4Confident76.6Confident30 Ų3057 Ų5713%0.13231%0.306CS..Hα-helixtrans-62.1-45.9175.3-175.6-95.5000111.6M91 A95 V102 D108 R109 A115 Q116M91-F112 HydrophobicContact CB-CE1 4.34Å; M91-F112 HydrophobicContact CB-CE2 3.96Å; M91-F112 HydrophobicContact CB-CZ 3.61Å; M91-F112 HydrophobicContact SD-CE2 4.22Å; A95-F112 HydrophobicContact CB-CE2 4.23Å; A95-F112 HydrophobicContact CB-CZ 4.48Å; V102-F112 HydrophobicContact CG1-CB 4.2Å; V102-F112 HydrophobicContact CG1-CD2 4.27Å; V102-F112 HydrophobicContact CG1-CG 4.36Å; V102-F112 HydrophobicContact CG2-CD2 3.55Å; V102-F112 HydrophobicContact CG2-CE2 3.88Å; V102-F112 HydrophobicContact CG2-CG 4.42Å; D108-F112 WeakPolarHBondContact O-CB 3.38Å; D108-F112 PolarHBondContact O-N 3.43Å; R109-F112 PolarHBondContact O-N 3.41Å; F112-A115 PolarHBondContact O-N 3.44Å; F112-Q116 WeakPolarHBondContact O-CB 3.25Å; F112-Q116 PolarHBondContact O-N 3.12Å
113N77Confident77.7Confident86 Ų8656.4 Ų56.446%0.4630%0.301SS..Hα-helixtrans-64-43176.2-68.1-5.9000111.8R109 A110 A115 Q116 K117R109-N113 VanDerWaalsContact O-CG 3.25Å; R109-N113 PolarHBondContact O-N 2.85Å; R109-N113 PolarHBondContact O-OD1 2.89Å; A110-N113 PolarHBondContact O-N 3.39Å; N113-A115 VanDerWaalsContact C-N 3.35Å; N113-A115 PolarHBondContact O-N 3.42Å; N113-Q116 PolarHBondContact O-N 2.99Å; N113-K117 WeakPolarHBondContact O-CB 3.46Å; N113-K117 PolarHBondContact O-N 2.91Å
114G78.4Confident78.9Confident15 Ų1555.3 Ų55.316%0.15529%0.288CS..Hα-helixtrans-61.7-41.4175.300000112.5A110 L111 K117 L118A110-G114 PolarHBondContact O-N 2.99Å; L111-G114 PolarHBondContact O-N 2.88Å; G114-K117 PolarHBondContact O-N 3.04Å; G114-L118 WeakPolarHBondContact O-CB 3.4Å; G114-L118 PolarHBondContact O-N 3.06Å
115A81Confident80Confident2 Ų252.3 Ų52.32%0.01727%0.272CS..Hα-helixtrans-64.8-48.2174.800000111.5I9 M91 L111 F112 N113 K117 L118 F119I9-A115 HydrophobicContact CD1-CB 3.91Å; I9-A115 HydrophobicContact CG2-CB 4.29Å; M91-A115 HydrophobicContact CE-CB 3.86Å; L111-A115 VanDerWaalsContact O-CB 3.3Å; L111-A115 WeakPolarHBondContact O-CB 3.41Å; L111-A115 PolarHBondContact O-N 3.19Å; F112-A115 PolarHBondContact O-N 3.44Å; N113-A115 VanDerWaalsContact C-N 3.35Å; N113-A115 PolarHBondContact O-N 3.42Å; A115-K117 PolarHBondContact O-N 2.59Å; A115-L118 WeakPolarHBondContact O-CB 2.93Å; A115-L118 PolarHBondContact O-N 2.93Å; A115-L118 VanDerWaalsContact O-N 3.08Å; A115-F119 VanDerWaalsContact O-CD2 3.29Å; A115-F119 WeakPolarHBondContact O-CD2 3.05Å; A115-F119 PolarHBondContact O-N 3.44Å
116Q80.3Confident80.5Confident33 Ų3350.7 Ų50.715%0.15427%0.269CS..Hα-helixtrans-55.1-40.3177.5-175.9-179.2-19.900111.7S87 G88 M91 F112 N113 G120S87-Q116 WeakPolarHBondContact CB-O 3.27Å; S87-Q116 PolarHBondContact OG-O 2.93Å; G88-Q116 VanDerWaalsContact CA-NE2 3.26Å; M91-Q116 HydrophobicContact CG-CB 4.12Å; M91-Q116 HydrophobicContact CG-CG 4.35Å; F112-Q116 WeakPolarHBondContact O-CB 3.25Å; F112-Q116 PolarHBondContact O-N 3.12Å; N113-Q116 PolarHBondContact O-N 2.99Å; Q116-G120 PolarHBondContact O-N 3.38Å
117K81.3Confident81Confident21 Ų2147.4 Ų47.49%0.09124%0.243CC..Hα-helixtrans-66.1-45.9174.8171.3163.4-1741700113L16 P17 N113 G114 A115 F119 G120 M121 L163 E167L16-K117 HydrophobicContact CD1-CG 4.4Å; P17-K117 PolarHBondContact O-NZ 3.31Å; N113-K117 WeakPolarHBondContact O-CB 3.46Å; N113-K117 PolarHBondContact O-N 2.91Å; G114-K117 PolarHBondContact O-N 3.04Å; A115-K117 PolarHBondContact O-N 2.59Å; K117-F119 VanDerWaalsContact C-N 3.31Å; K117-F119 PolarHBondContact O-N 3.05Å; K117-G120 PolarHBondContact O-N 3.4Å; K117-G120 VanDerWaalsContact O-N 3.15Å; K117-M121 PolarHBondContact O-N 2.88Å; K117-L163 HydrophobicContact CB-CD2 4.19Å; K117-L163 HydrophobicContact CD-CD2 3.65Å; K117-L163 HydrophobicContact CG-CD1 4.07Å; K117-L163 HydrophobicContact CG-CD2 3.6Å; K117-E167 IonicContact NZ-OE2 3.45Å; K117-E167 PolarHBondContact NZ-OE2 2.7Å
118L84.7Confident81.4Confident25 Ų2539.3 Ų39.313%0.13121%0.208CC..Hα-helixtrans-58.9-45.6177.2-171.1148000111I9 F12 L16 G114 A115 M121 I122I9-L118 HydrophobicContact CG2-CD1 4.26Å; F12-L118 HydrophobicContact CB-CD1 3.33Å; F12-L118 HydrophobicContact CG-CD1 4.15Å; L16-L118 HydrophobicContact CD1-CB 3.94Å; L16-L118 HydrophobicContact CD1-CD1 4.28Å; L16-L118 HydrophobicContact CD1-CG 4.5Å; G114-L118 WeakPolarHBondContact O-CB 3.4Å; G114-L118 PolarHBondContact O-N 3.06Å; A115-L118 WeakPolarHBondContact O-CB 2.93Å; A115-L118 PolarHBondContact O-N 2.93Å; A115-L118 VanDerWaalsContact O-N 3.08Å; L118-M121 PolarHBondContact O-N 3.34Å; L118-I122 HydrophobicContact CD2-CD1 3.44Å; L118-I122 VanDerWaalsContact CD2-CD1 3.44Å; L118-I122 HydrophobicContact CD2-CG1 4.21Å; L118-I122 HydrophobicContact CG-CD1 4.49Å; L118-I122 WeakPolarHBondContact O-CG1 3.24Å; L118-I122 PolarHBondContact O-N 3.11Å
119F83.6Confident81.9Confident61 Ų6141.2 Ų41.227%0.26822%0.218SC..Hα-helixtrans-63.1-41.6174.4-85.3-82000112F5 I9 M91 A115 K117 M121 I122 I123F5-F119 HydrophobicContact CE1-CE2 4.04Å; F5-F119 HydrophobicContact CE1-CZ 4.15Å; F5-F119 HydrophobicContact CZ-CE2 4.29Å; F5-F119 AromaticContact CZ-CZ 3.99Å; F5-F119 HydrophobicContact CZ-CZ 3.99Å; I9-F119 HydrophobicContact CD1-CE2 4.42Å; M91-F119 HydrophobicContact CE-CD2 3.03Å; M91-F119 HydrophobicContact CE-CE2 3.23Å; M91-F119 HydrophobicContact CE-CG 3.91Å; M91-F119 HydrophobicContact CE-CZ 4.24Å; A115-F119 VanDerWaalsContact O-CD2 3.29Å; A115-F119 WeakPolarHBondContact O-CD2 3.05Å; A115-F119 PolarHBondContact O-N 3.44Å; K117-F119 VanDerWaalsContact C-N 3.31Å; K117-F119 PolarHBondContact O-N 3.05Å; F119-M121 VanDerWaalsContact C-N 3.31Å; F119-M121 PolarHBondContact O-N 3.48Å; F119-I122 PolarHBondContact O-N 3.34Å; F119-I123 WeakPolarHBondContact O-CB 3.47Å; F119-I123 WeakPolarHBondContact O-CD1 3.46Å; F119-I123 WeakPolarHBondContact O-CG1 3.31Å; F119-I123 PolarHBondContact O-N 3.41Å
120G84.3Confident82.2Confident0 Ų038.8 Ų38.80%022%0.218CC..Hα-helixtrans-55.5-46.317300000111.9Q116 K117 I123 T124Q116-G120 PolarHBondContact O-N 3.38Å; K117-G120 PolarHBondContact O-N 3.4Å; K117-G120 VanDerWaalsContact O-N 3.15Å; G120-I123 PolarHBondContact O-N 3.16Å; G120-T124 VanDerWaalsContact O-CG2 3.3Å; G120-T124 WeakPolarHBondContact O-CG2 2.94Å; G120-T124 PolarHBondContact O-N 3.13Å
121M86.1Confident82.3Confident36 Ų3637.6 Ų37.618%0.17720%0.203CC..Hα-helixtrans-64.5-45177.8-169-177.9-68.400112.4L16 K117 L118 F119 I123 T124 I125 F156 L160L16-M121 HydrophobicContact CD2-CE 3.47Å; L16-M121 VanDerWaalsContact CD2-CE 3.47Å; L16-M121 HydrophobicContact CD2-SD 4.01Å; K117-M121 PolarHBondContact O-N 2.88Å; L118-M121 PolarHBondContact O-N 3.34Å; F119-M121 VanDerWaalsContact C-N 3.31Å; F119-M121 PolarHBondContact O-N 3.48Å; M121-I123 VanDerWaalsContact C-N 3.3Å; M121-I123 PolarHBondContact O-N 3.31Å; M121-T124 WeakPolarHBondContact CA-OG1 3.42Å; M121-T124 PolarHBondContact O-N 3.29Å; M121-T124 PolarHBondContact O-OG1 2.94Å; M121-I125 WeakPolarHBondContact O-CG1 3.45Å; M121-I125 PolarHBondContact O-N 2.92Å; M121-I125 VanDerWaalsContact O-N 3.13Å; M121-F156 HydrophobicContact CG-CE2 3.63Å; M121-F156 HydrophobicContact CG-CZ 3.95Å; M121-F156 HydrophobicContact SD-CE2 4.4Å; M121-F156 HydrophobicContact SD-CZ 4.1Å; M121-L160 HydrophobicContact CE-CD1 4.16Å
122I87.4Confident82.3Confident96 Ų9636.7 Ų36.749%0.49220%0.198SC..Hα-helixtrans-61.3-42.3176.2-68.2177.2000110.8L118 F119 I125 G126L118-I122 HydrophobicContact CD2-CD1 3.44Å; L118-I122 VanDerWaalsContact CD2-CD1 3.44Å; L118-I122 HydrophobicContact CD2-CG1 4.21Å; L118-I122 HydrophobicContact CG-CD1 4.49Å; L118-I122 WeakPolarHBondContact O-CG1 3.24Å; L118-I122 PolarHBondContact O-N 3.11Å; F119-I122 PolarHBondContact O-N 3.34Å; I122-I125 PolarHBondContact O-N 3.38Å; I122-G126 PolarHBondContact O-N 2.87Å
123I85.9Confident82Confident36 Ų3641.9 Ų41.919%0.18523%0.225CC..Hα-helixtrans-65.8-39.5178-66.2166.3000110.7P83 I90 F119 G120 M121 I125 G126 Q127P83-I123 HydrophobicContact CB-CB 4.3Å; P83-I123 HydrophobicContact CB-CG2 3.96Å; I90-I123 HydrophobicContact CD1-CD1 4.35Å; F119-I123 WeakPolarHBondContact O-CB 3.47Å; F119-I123 WeakPolarHBondContact O-CD1 3.46Å; F119-I123 WeakPolarHBondContact O-CG1 3.31Å; F119-I123 PolarHBondContact O-N 3.41Å; G120-I123 PolarHBondContact O-N 3.16Å; M121-I123 VanDerWaalsContact C-N 3.3Å; M121-I123 PolarHBondContact O-N 3.31Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 3.02Å; I123-G126 PolarHBondContact O-N 3.22Å; I123-Q127 HydrophobicContact CG2-CG 4.07Å; I123-Q127 WeakPolarHBondContact O-CB 3.39Å; I123-Q127 WeakPolarHBondContact O-CG 3.49Å; I123-Q127 PolarHBondContact O-N 3.23Å
124T86.6Confident81.7Confident3 Ų341.9 Ų41.92%0.01823%0.228CC..Hα-helixtrans-58-4617559.70000111.7L79 P83 G120 M121 A128L79-T124 WeakPolarHBondContact CD2-O 3.27Å; P83-T124 HydrophobicContact CB-CG2 3.43Å; P83-T124 VanDerWaalsContact CB-CG2 3.43Å; P83-T124 HydrophobicContact CG-CG2 3.55Å; G120-T124 VanDerWaalsContact O-CG2 3.3Å; G120-T124 WeakPolarHBondContact O-CG2 2.94Å; G120-T124 PolarHBondContact O-N 3.13Å; M121-T124 WeakPolarHBondContact CA-OG1 3.42Å; M121-T124 PolarHBondContact O-N 3.29Å; M121-T124 PolarHBondContact O-OG1 2.94Å; T124-A128 VanDerWaalsContact O-CB 3.24Å; T124-A128 WeakPolarHBondContact O-CB 3.48Å; T124-A128 PolarHBondContact O-N 2.97Å
125I88Confident81.1Confident67 Ų6742.3 Ų42.334%0.34423%0.232SC..Hα-helixtrans-65.3-48.6179.4-65169.8000109.9M121 I122 I123 Q127 A128 I129 F156M121-I125 WeakPolarHBondContact O-CG1 3.45Å; M121-I125 PolarHBondContact O-N 2.92Å; M121-I125 VanDerWaalsContact O-N 3.13Å; I122-I125 PolarHBondContact O-N 3.38Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 3.02Å; I125-Q127 PolarHBondContact O-N 3.26Å; I125-A128 PolarHBondContact O-N 3.28Å; I125-I129 HydrophobicContact CG2-CD1 3.74Å; I125-I129 HydrophobicContact CG2-CG1 4.47Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.44Å; I125-I129 PolarHBondContact O-N 2.97Å; I125-F156 HydrophobicContact CD1-CD2 4.02Å; I125-F156 HydrophobicContact CD1-CE2 3.52Å; I125-F156 HydrophobicContact CD1-CZ 4.1Å; I125-F156 HydrophobicContact CG1-CD2 3.32Å; I125-F156 HydrophobicContact CG1-CE2 3.32Å; I125-F156 HydrophobicContact CG1-CG 4.3Å; I125-F156 HydrophobicContact CG1-CZ 4.31Å
126G85.4Confident80.3Confident33 Ų3343.5 Ų43.534%0.3424%0.238SC..Hα-helixtrans-59.5-46.9-179.800000112.3I122 I123 I129 V130I122-G126 PolarHBondContact O-N 2.87Å; I123-G126 PolarHBondContact O-N 3.22Å; G126-I129 PolarHBondContact O-N 2.77Å; G126-V130 VanDerWaalsContact O-CG2 3.27Å; G126-V130 WeakPolarHBondContact O-CG2 3.43Å; G126-V130 PolarHBondContact O-N 2.68Å
127Q81.8Confident79.5Confident41 Ų4142.4 Ų42.419%0.19223%0.232CC..Hα-helixtrans-65.4-43.8176.9-75.8-176.1-6.100112L79 S82 I123 I125 I129 V130 Y131L79-Q127 HydrophobicContact CD2-CB 3.56Å; L79-Q127 HydrophobicContact CG-CB 4.48Å; S82-Q127 PolarHBondContact OG-OE1 3.12Å; I123-Q127 HydrophobicContact CG2-CG 4.07Å; I123-Q127 WeakPolarHBondContact O-CB 3.39Å; I123-Q127 WeakPolarHBondContact O-CG 3.49Å; I123-Q127 PolarHBondContact O-N 3.23Å; I125-Q127 PolarHBondContact O-N 3.26Å; Q127-I129 VanDerWaalsContact C-N 3.31Å; Q127-I129 PolarHBondContact O-N 3.03Å; Q127-V130 PolarHBondContact O-N 3.11Å; Q127-Y131 HydrophobicContact CB-CD2 4.23Å; Q127-Y131 HydrophobicContact CB-CE2 4.19Å; Q127-Y131 WeakPolarHBondContact O-CB 3.34Å; Q127-Y131 WeakPolarHBondContact O-CD2 3.36Å; Q127-Y131 PolarHBondContact O-N 3.12Å
128A82.8Confident78.6Confident0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-59.1-43178.300000111.7L79 T124 I125 Y131 V132 I152 L155L79-A128 HydrophobicContact CD1-CB 4.46Å; L79-A128 HydrophobicContact CD2-CB 4.5Å; T124-A128 VanDerWaalsContact O-CB 3.24Å; T124-A128 WeakPolarHBondContact O-CB 3.48Å; T124-A128 PolarHBondContact O-N 2.97Å; I125-A128 PolarHBondContact O-N 3.28Å; A128-Y131 PolarHBondContact O-N 3.19Å; A128-V132 VanDerWaalsContact O-CG2 3.29Å; A128-V132 WeakPolarHBondContact O-CG2 3.45Å; A128-V132 PolarHBondContact O-N 3.45Å; A128-V132 VanDerWaalsContact O-N 3.11Å; A128-I152 HydrophobicContact CB-CG2 4.49Å; A128-L155 HydrophobicContact CB-CB 4.11Å; A128-L155 HydrophobicContact CB-CD1 4.38Å
129I83Confident77.6Confident65 Ų6545.7 Ų45.733%0.33325%0.254SS..Hα-helixtrans-62.2-48.2175.2-67.5167.4000110.5I125 G126 Q127 Y131 V132 M133 I152I125-I129 HydrophobicContact CG2-CD1 3.74Å; I125-I129 HydrophobicContact CG2-CG1 4.47Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.44Å; I125-I129 PolarHBondContact O-N 2.97Å; G126-I129 PolarHBondContact O-N 2.77Å; Q127-I129 VanDerWaalsContact C-N 3.31Å; Q127-I129 PolarHBondContact O-N 3.03Å; I129-Y131 PolarHBondContact O-N 2.97Å; I129-V132 PolarHBondContact O-N 3.28Å; I129-M133 HydrophobicContact CG2-CG 4.12Å; I129-M133 HydrophobicContact CG2-SD 3.53Å; I129-M133 VanDerWaalsContact CG2-SD 3.53Å; I129-M133 VanDerWaalsContact O-CB 3.31Å; I129-M133 WeakPolarHBondContact O-CB 3.36Å; I129-M133 VanDerWaalsContact O-CG 3.26Å; I129-M133 WeakPolarHBondContact O-CG 3.41Å; I129-M133 PolarHBondContact O-N 2.96Å; I129-I152 HydrophobicContact CG1-CD1 4.36Å; I129-I152 HydrophobicContact CG1-CG2 4.39Å
130V81.2Confident76.6Confident86 Ų8645.6 Ų45.652%0.52126%0.26SS..Hα-helixtrans-61.5-44.6179.6171.10000111.2G126 Q127 V132 M133 T134G126-V130 VanDerWaalsContact O-CG2 3.27Å; G126-V130 WeakPolarHBondContact O-CG2 3.43Å; G126-V130 PolarHBondContact O-N 2.68Å; Q127-V130 PolarHBondContact O-N 3.11Å; V130-V132 VanDerWaalsContact C-N 3.35Å; V130-V132 PolarHBondContact O-N 3.43Å; V130-M133 PolarHBondContact O-N 3.21Å; V130-T134 HydrophobicContact CG1-CG2 3.92Å; V130-T134 VanDerWaalsContact O-CB 3.31Å; V130-T134 WeakPolarHBondContact O-CB 3.41Å; V130-T134 WeakPolarHBondContact O-CG2 3.4Å; V130-T134 PolarHBondContact O-N 3.42Å; V130-T134 PolarHBondContact O-OG1 2.99Å
131Y74.6Confident75.5Confident26 Ų2650.7 Ų50.710%0.10230%0.296CS..Hα-helixtrans-61.7-40.5178.7-81.7-61.3000112.7F62 L79 Q127 A128 I129 T134 M136F62-Y131 HydrophobicContact CD2-CE1 4.34Å; F62-Y131 HydrophobicContact CE2-CE1 4.03Å; L79-Y131 HydrophobicContact CG-CD2 4.38Å; L79-Y131 HydrophobicContact CG-CE2 4.39Å; Q127-Y131 HydrophobicContact CB-CD2 4.23Å; Q127-Y131 HydrophobicContact CB-CE2 4.19Å; Q127-Y131 WeakPolarHBondContact O-CB 3.34Å; Q127-Y131 WeakPolarHBondContact O-CD2 3.36Å; Q127-Y131 PolarHBondContact O-N 3.12Å; A128-Y131 PolarHBondContact O-N 3.19Å; I129-Y131 PolarHBondContact O-N 2.97Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.41Å; Y131-T134 PolarHBondContact O-OG1 3.14Å; Y131-M136 HydrophobicContact CD1-CE 4.44Å; Y131-M136 HydrophobicContact CD1-SD 3.53Å; Y131-M136 VanDerWaalsContact CD1-SD 3.53Å; Y131-M136 HydrophobicContact CE1-CE 4.45Å; Y131-M136 HydrophobicContact CE1-SD 3.79Å
132V76.6Confident74.5Confident9 Ų956.7 Ų56.76%0.05532%0.323CS..Hα-helixtrans-72.2-41.6176.8176.10000111.4A128 I129 V130 G135 Y137 C148 I151 I152A128-V132 VanDerWaalsContact O-CG2 3.29Å; A128-V132 WeakPolarHBondContact O-CG2 3.45Å; A128-V132 PolarHBondContact O-N 3.45Å; A128-V132 VanDerWaalsContact O-N 3.11Å; I129-V132 PolarHBondContact O-N 3.28Å; V130-V132 VanDerWaalsContact C-N 3.35Å; V130-V132 PolarHBondContact O-N 3.43Å; V132-G135 PolarHBondContact O-N 3.33Å; V132-Y137 HydrophobicContact CG2-CD2 4.21Å; V132-Y137 HydrophobicContact CG2-CE2 4.17Å; V132-C148 HydrophobicContact CG1-CB 3.72Å; V132-I151 HydrophobicContact CG2-CB 4.39Å; V132-I151 HydrophobicContact CG2-CG2 3.82Å; V132-I152 HydrophobicContact CB-CD1 4.35Å; V132-I152 HydrophobicContact CB-CG1 4.11Å; V132-I152 HydrophobicContact CG1-CD1 4.34Å; V132-I152 HydrophobicContact CG1-CG1 4.39Å; V132-I152 HydrophobicContact CG2-CD1 4.44Å; V132-I152 HydrophobicContact CG2-CG1 3.68Å
133M72.8Confident73.2Confident139 Ų13953 Ų5369%0.68530%0.304SS*.Hα-helixtrans-72.4-27.9-178.8-72.4-174.973.200114I129 V130 G135I129-M133 HydrophobicContact CG2-CG 4.12Å; I129-M133 HydrophobicContact CG2-SD 3.53Å; I129-M133 VanDerWaalsContact CG2-SD 3.53Å; I129-M133 VanDerWaalsContact O-CB 3.31Å; I129-M133 WeakPolarHBondContact O-CB 3.36Å; I129-M133 VanDerWaalsContact O-CG 3.26Å; I129-M133 WeakPolarHBondContact O-CG 3.41Å; I129-M133 PolarHBondContact O-N 2.96Å; V130-M133 PolarHBondContact O-N 3.21Å; M133-G135 PolarHBondContact O-N 3.25Å
134T71.1Confident72.4Confident86 Ų8652.8 Ų52.853%0.52831%0.311SS..THydrogen-bonded Turntrans-72.2-1.6176.149.60000113.1V130 Y131 M136V130-T134 HydrophobicContact CG1-CG2 3.92Å; V130-T134 VanDerWaalsContact O-CB 3.31Å; V130-T134 WeakPolarHBondContact O-CB 3.41Å; V130-T134 WeakPolarHBondContact O-CG2 3.4Å; V130-T134 PolarHBondContact O-N 3.42Å; V130-T134 PolarHBondContact O-OG1 2.99Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.41Å; Y131-T134 PolarHBondContact O-OG1 3.14Å; T134-M136 VanDerWaalsContact C-N 3.28Å; T134-M136 PolarHBondContact O-N 3.45Å
135G65.2Low71.9Confident23 Ų2356.7 Ų56.724%0.23734%0.343CS..THydrogen-bonded Turntrans74.615.1176.300000113.8V132 M133 Y137 G138V132-G135 PolarHBondContact O-N 3.33Å; M133-G135 PolarHBondContact O-N 3.25Å; G135-Y137 PolarHBondContact O-N 2.92Å; G135-Y137 VanDerWaalsContact O-N 3.1Å; G135-G138 WeakPolarHBondContact CA-O 3.1Å; G135-G138 PolarHBondContact O-N 3.19Å; G135-G138 VanDerWaalsContact O-N 3.09Å
136M64.9Low71.4Confident28 Ų2856.2 Ų56.214%0.13836%0.355CS..THydrogen-bonded Turntrans-61.3-21.2-178.4-76.9-167.861.700113.8F62 Y131 T134F62-M136 HydrophobicContact CD2-CE 4.19Å; F62-M136 HydrophobicContact CD2-SD 4.36Å; F62-M136 HydrophobicContact CE2-CE 4.45Å; F62-M136 HydrophobicContact CE2-SD 4.02Å; Y131-M136 HydrophobicContact CD1-CE 4.44Å; Y131-M136 HydrophobicContact CD1-SD 3.53Å; Y131-M136 VanDerWaalsContact CD1-SD 3.53Å; Y131-M136 HydrophobicContact CE1-CE 4.45Å; Y131-M136 HydrophobicContact CE1-SD 3.79Å; T134-M136 VanDerWaalsContact C-N 3.28Å; T134-M136 PolarHBondContact O-N 3.45Å
137Y62.6Low71.1Confident9 Ų957.9 Ų57.94%0.03536%0.356CS..THydrogen-bonded Turntrans-104.4-3.3178.8-54.3-65.6000114.1L50 I53 E78 V132 G135 I151L50-Y137 HydrophobicContact CD1-CE1 4.21Å; I53-Y137 HydrophobicContact CG1-CD1 4.39Å; E78-Y137 WeakPolarHBondContact CG-OH 3.44Å; E78-Y137 PolarHBondContact OE1-OH 2.85Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.19Å; E78-Y137 PolarHBondContact OE2-OH 3.36Å; V132-Y137 HydrophobicContact CG2-CD2 4.21Å; V132-Y137 HydrophobicContact CG2-CE2 4.17Å; G135-Y137 PolarHBondContact O-N 2.92Å; G135-Y137 VanDerWaalsContact O-N 3.1Å; Y137-I151 HydrophobicContact CE2-CG2 4.46Å
138G62.3Low70.9Confident15 Ų1556.5 Ų56.516%0.15535%0.35CS..SBendtrans133.9158.3-17000000111.4G135G135-G138 WeakPolarHBondContact CA-O 3.1Å; G135-G138 PolarHBondContact O-N 3.19Å; G135-G138 VanDerWaalsContact O-N 3.09Å
139D64.3Low70.9Confident101 Ų10161.6 Ų61.654%0.5438%0.377SS..  trans-64.3130.2176.9-92-47.1000110.3S141 E142 M143D139-S141 PolarHBondContact O-N 3.37Å; D139-E142 PolarHBondContact O-N 2.91Å; D139-M143 PolarHBondContact O-N 3.14Å
140P61.3Low71.1Confident58 Ų5862.2 Ų62.238%0.37738%0.381SS..Hα-helixtrans-56.7-21.8-177.4-26.834000114.5
141S61.7Low71.2Confident108 Ų10858.2 Ų58.276%0.75536%0.356SS*.Hα-helixtrans-75.8-27.3176.343.50000114D139D139-S141 PolarHBondContact O-N 3.37Å
142E64.4Low71.7Confident162 Ų16259 Ų5976%0.75736%0.362SS*.Hα-helixtrans-93.4-31-179.5-63.7-171.1164.800112.3D139 G144D139-E142 PolarHBondContact O-N 2.91Å; E142-G144 VanDerWaalsContact C-N 3.35Å; E142-G144 PolarHBondContact O-N 3.16Å
143M62Low72.3Confident17 Ų1763 Ų638%0.08438%0.382CS..Hα-helixtrans-74.8-21.8180-66.6-17972.200113.8D139 I147 I151D139-M143 PolarHBondContact O-N 3.14Å; M143-I147 HydrophobicContact CE-CG2 4.26Å; M143-I147 WeakPolarHBondContact O-CB 3.39Å; M143-I147 WeakPolarHBondContact O-CD1 3.3Å; M143-I147 WeakPolarHBondContact O-CG1 3.4Å; M143-I151 HydrophobicContact CE-CD1 3.42Å; M143-I151 VanDerWaalsContact CE-CD1 3.42Å
144G68.6Low73Confident32 Ų3258.3 Ų58.333%0.3336%0.358SS..  trans73.5136.4-171.900000112.7E142 G146 I147 C148E142-G144 VanDerWaalsContact C-N 3.35Å; E142-G144 PolarHBondContact O-N 3.16Å; G144-G146 PolarHBondContact O-N 2.94Å; G144-I147 PolarHBondContact O-N 2.63Å; G144-I147 VanDerWaalsContact O-N 3.08Å; G144-C148 PolarHBondContact O-N 2.87Å
145A74.7Confident73.8Confident85 Ų8554.3 Ų54.370%0.70233%0.334SS*.Hα-helixtrans-56.4-26.4-175.100000114.1L149A145-L149 WeakPolarHBondContact O-CB 3.44Å; A145-L149 PolarHBondContact O-N 2.92Å
146G79Confident74.8Confident58 Ų5855.8 Ų55.860%0.59833%0.334SS*.Hα-helixtrans-68.1-41.6177.100000114.1G144 L150G144-G146 PolarHBondContact O-N 2.94Å; G146-L150 PolarHBondContact O-N 3.42Å; G146-L150 VanDerWaalsContact O-N 3.09Å
147I79.3Confident76Confident67 Ų6758 Ų5834%0.34435%0.349SS..Hα-helixtrans-72.7-41.3178.8-58.9-176.6000109.8M143 G144 L149 L150 I151M143-I147 HydrophobicContact CE-CG2 4.26Å; M143-I147 WeakPolarHBondContact O-CB 3.39Å; M143-I147 WeakPolarHBondContact O-CD1 3.3Å; M143-I147 WeakPolarHBondContact O-CG1 3.4Å; G144-I147 PolarHBondContact O-N 2.63Å; G144-I147 VanDerWaalsContact O-N 3.08Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.45Å; I147-L150 WeakPolarHBondContact O-CB 3.43Å; I147-L150 PolarHBondContact O-N 3.34Å; I147-L150 VanDerWaalsContact O-N 3.12Å; I147-I151 HydrophobicContact CG2-CD1 4.11Å; I147-I151 WeakPolarHBondContact O-CG1 3.23Å; I147-I151 PolarHBondContact O-N 3.37Å
148C76.9Confident77.2Confident12 Ų1257.9 Ų57.98%0.08135%0.35CS..Hα-helixtrans-56.6-44.3173.8-67.70000112.1V132 G144 L150 I151 I152V132-C148 HydrophobicContact CG1-CB 3.72Å; G144-C148 PolarHBondContact O-N 2.87Å; C148-L150 VanDerWaalsContact C-N 3.34Å; C148-L150 PolarHBondContact O-N 3.37Å; C148-I151 PolarHBondContact O-N 2.8Å; C148-I152 WeakPolarHBondContact O-CG1 3.27Å; C148-I152 PolarHBondContact O-N 3.44Å; C148-I152 VanDerWaalsContact O-N 3.08Å
149L83.3Confident78.3Confident107 Ų10757.6 Ų57.656%0.5635%0.347SS*.Hα-helixtrans-65.8-37.3177-172.7129000112.1A145 I147 I152 I153A145-L149 WeakPolarHBondContact O-CB 3.44Å; A145-L149 PolarHBondContact O-N 2.92Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.45Å; L149-I152 PolarHBondContact O-N 3.24Å; L149-I153 HydrophobicContact CD2-CD1 3.65Å; L149-I153 HydrophobicContact CG-CD1 4.33Å; L149-I153 WeakPolarHBondContact O-CG1 3.43Å; L149-I153 PolarHBondContact O-N 2.92Å
150L85.6Confident79.5Confident79 Ų7955 Ų5541%0.41433%0.333SS..Hα-helixtrans-65.3-42.3176.3-164152.4000111.7F51 G146 I147 C148 I152 I153 Q154F51-L150 HydrophobicContact CB-CD2 4.3Å; F51-L150 HydrophobicContact CD1-CD2 3.92Å; F51-L150 HydrophobicContact CG-CD2 4.43Å; G146-L150 PolarHBondContact O-N 3.42Å; G146-L150 VanDerWaalsContact O-N 3.09Å; I147-L150 WeakPolarHBondContact O-CB 3.43Å; I147-L150 PolarHBondContact O-N 3.34Å; I147-L150 VanDerWaalsContact O-N 3.12Å; C148-L150 VanDerWaalsContact C-N 3.34Å; C148-L150 PolarHBondContact O-N 3.37Å; L150-I152 PolarHBondContact O-N 3.02Å; L150-I153 PolarHBondContact O-N 2.68Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 PolarHBondContact O-N 3Å
151I83.3Confident80.8Confident1 Ų155.5 Ų55.51%0.00533%0.331CS..Hα-helixtrans-61.3-44.1174.9-66.8168.3000110.7F51 V132 Y137 M143 I147 C148 I153 Q154 L155F51-I151 VanDerWaalsContact O-CG1 3.28Å; F51-I151 WeakPolarHBondContact O-CG1 3.34Å; V132-I151 HydrophobicContact CG2-CB 4.39Å; V132-I151 HydrophobicContact CG2-CG2 3.82Å; Y137-I151 HydrophobicContact CE2-CG2 4.46Å; M143-I151 HydrophobicContact CE-CD1 3.42Å; M143-I151 VanDerWaalsContact CE-CD1 3.42Å; I147-I151 HydrophobicContact CG2-CD1 4.11Å; I147-I151 WeakPolarHBondContact O-CG1 3.23Å; I147-I151 PolarHBondContact O-N 3.37Å; C148-I151 PolarHBondContact O-N 2.8Å; I151-I153 VanDerWaalsContact C-N 3.33Å; I151-I153 PolarHBondContact O-N 3.01Å; I151-Q154 PolarHBondContact O-N 3.47Å; I151-L155 HydrophobicContact CG2-CD1 3.84Å; I151-L155 HydrophobicContact CG2-CG 4.22Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 WeakPolarHBondContact O-CG 3.21Å; I151-L155 PolarHBondContact O-N 3.23Å
152I86Confident82Confident44 Ų4450.4 Ų50.423%0.22630%0.296CS..Hα-helixtrans-59.3-45.8177.4-67.9165.9000110.6A128 I129 V132 C148 L149 L150 F156A128-I152 HydrophobicContact CB-CG2 4.49Å; I129-I152 HydrophobicContact CG1-CD1 4.36Å; I129-I152 HydrophobicContact CG1-CG2 4.39Å; V132-I152 HydrophobicContact CB-CD1 4.35Å; V132-I152 HydrophobicContact CB-CG1 4.11Å; V132-I152 HydrophobicContact CG1-CD1 4.34Å; V132-I152 HydrophobicContact CG1-CG1 4.39Å; V132-I152 HydrophobicContact CG2-CD1 4.44Å; V132-I152 HydrophobicContact CG2-CG1 3.68Å; C148-I152 WeakPolarHBondContact O-CG1 3.27Å; C148-I152 PolarHBondContact O-N 3.44Å; C148-I152 VanDerWaalsContact O-N 3.08Å; L149-I152 PolarHBondContact O-N 3.24Å; L150-I152 PolarHBondContact O-N 3.02Å; I152-F156 VanDerWaalsContact O-CB 3.28Å; I152-F156 WeakPolarHBondContact O-CB 3.34Å; I152-F156 PolarHBondContact O-N 2.9Å
153I89.1Confident83.1Confident92 Ų9243.4 Ų43.447%0.47226%0.263SS..Hα-helixtrans-64.3-43.5177.8-68.5170.1000110.8L149 L150 I151 F156 V157L149-I153 HydrophobicContact CD2-CD1 3.65Å; L149-I153 HydrophobicContact CG-CD1 4.33Å; L149-I153 WeakPolarHBondContact O-CG1 3.43Å; L149-I153 PolarHBondContact O-N 2.92Å; L150-I153 PolarHBondContact O-N 2.68Å; I151-I153 VanDerWaalsContact C-N 3.33Å; I151-I153 PolarHBondContact O-N 3.01Å; I153-F156 PolarHBondContact O-N 3.47Å; I153-V157 HydrophobicContact CG2-CG2 4.31Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.33Å; I153-V157 PolarHBondContact O-N 3.24Å
154Q88.3Confident84.3Confident41 Ų4144.7 Ų44.719%0.19227%0.271CS..Hα-helixtrans-61.6-46.1179.4-175.31740.700111.6L50 L76 L150 I151 V157 A158L50-Q154 HydrophobicContact CD2-CG 4.02Å; L76-Q154 HydrophobicContact CD2-CG 3.47Å; L76-Q154 VanDerWaalsContact CD2-CG 3.47Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 PolarHBondContact O-N 3Å; I151-Q154 PolarHBondContact O-N 3.47Å; Q154-V157 PolarHBondContact O-N 3.48Å; Q154-A158 WeakPolarHBondContact O-CB 3.46Å; Q154-A158 PolarHBondContact O-N 2.87Å
155L86.3Confident85.2Confident2 Ų244 Ų441%0.0126%0.259CS..Hα-helixtrans-65.3-38.1176-72.1177.7000112.3L50 E78 L79 A128 I151 G159L50-L155 HydrophobicContact CD1-CD2 3.99Å; L50-L155 HydrophobicContact CD2-CD2 3.66Å; L50-L155 HydrophobicContact CD2-CG 4.21Å; L50-L155 HydrophobicContact CG-CD2 4.47Å; E78-L155 HydrophobicContact CB-CD2 4.11Å; L79-L155 HydrophobicContact CD1-CB 3.75Å; L79-L155 HydrophobicContact CD1-CD1 3.86Å; L79-L155 HydrophobicContact CD1-CD2 3.72Å; L79-L155 HydrophobicContact CD1-CG 3.98Å; A128-L155 HydrophobicContact CB-CB 4.11Å; A128-L155 HydrophobicContact CB-CD1 4.38Å; I151-L155 HydrophobicContact CG2-CD1 3.84Å; I151-L155 HydrophobicContact CG2-CG 4.22Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 WeakPolarHBondContact O-CG 3.21Å; I151-L155 PolarHBondContact O-N 3.23Å; L155-G159 PolarHBondContact O-N 3.5Å
156F87.6Confident85.7Confident53 Ų5340.3 Ų40.323%0.23223%0.227CC..Hα-helixtrans-64.8-45.8175.7178.1-111000112M121 I125 I152 I153 G159 L160M121-F156 HydrophobicContact CG-CE2 3.63Å; M121-F156 HydrophobicContact CG-CZ 3.95Å; M121-F156 HydrophobicContact SD-CE2 4.4Å; M121-F156 HydrophobicContact SD-CZ 4.1Å; I125-F156 HydrophobicContact CD1-CD2 4.02Å; I125-F156 HydrophobicContact CD1-CE2 3.52Å; I125-F156 HydrophobicContact CD1-CZ 4.1Å; I125-F156 HydrophobicContact CG1-CD2 3.32Å; I125-F156 HydrophobicContact CG1-CE2 3.32Å; I125-F156 HydrophobicContact CG1-CG 4.3Å; I125-F156 HydrophobicContact CG1-CZ 4.31Å; I152-F156 VanDerWaalsContact O-CB 3.28Å; I152-F156 WeakPolarHBondContact O-CB 3.34Å; I152-F156 PolarHBondContact O-N 2.9Å; I153-F156 PolarHBondContact O-N 3.47Å; F156-G159 PolarHBondContact O-N 3.27Å; F156-L160 HydrophobicContact CE1-CD1 4.29Å; F156-L160 HydrophobicContact CZ-CD1 4.22Å; F156-L160 WeakPolarHBondContact O-CB 3.46Å; F156-L160 PolarHBondContact O-N 2.8Å
157V89.5Confident86Confident75 Ų7538.4 Ų38.446%0.45520%0.203SC..Hα-helixtrans-63.4-43.9177.4172.10000110.6I153 Q154 L160 I161I153-V157 HydrophobicContact CG2-CG2 4.31Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.33Å; I153-V157 PolarHBondContact O-N 3.24Å; Q154-V157 PolarHBondContact O-N 3.48Å; V157-L160 PolarHBondContact O-N 2.88Å; V157-I161 HydrophobicContact CG1-CD1 4.05Å; V157-I161 VanDerWaalsContact O-CG1 3.31Å; V157-I161 WeakPolarHBondContact O-CG1 3.49Å; V157-I161 PolarHBondContact O-N 2.92Å
158A87.4Confident86.3Confident7 Ų736.5 Ų36.56%0.05819%0.194CC..Hα-helixtrans-60.9-46.8175.500000111.9L76 Q154 L160 I161 V162L76-A158 HydrophobicContact CB-CB 4.13Å; L76-A158 HydrophobicContact CD2-CB 4.39Å; L76-A158 VanDerWaalsContact O-CB 3.25Å; L76-A158 WeakPolarHBondContact O-CB 3.18Å; Q154-A158 WeakPolarHBondContact O-CB 3.46Å; Q154-A158 PolarHBondContact O-N 2.87Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 3.45Å; A158-I161 PolarHBondContact O-N 2.87Å; A158-V162 WeakPolarHBondContact O-CG2 3.39Å; A158-V162 PolarHBondContact O-N 3.3Å
159G86.6Confident86.7Confident9 Ų936 Ų369%0.09319%0.19CC..Hα-helixtrans-60.8-37.9176.300000113L155 F156 V162 L163L155-G159 PolarHBondContact O-N 3.5Å; F156-G159 PolarHBondContact O-N 3.27Å; G159-V162 PolarHBondContact O-N 3.33Å; G159-L163 WeakPolarHBondContact O-CB 3.37Å; G159-L163 PolarHBondContact O-N 3.4Å
160L87.8Confident86.5Confident47 Ų4735.4 Ų35.425%0.24618%0.184CC..Hα-helixtrans-66-42175.4-168.9152.7000111.4M121 F156 V157 A158 L163 L164M121-L160 HydrophobicContact CE-CD1 4.16Å; F156-L160 HydrophobicContact CE1-CD1 4.29Å; F156-L160 HydrophobicContact CZ-CD1 4.22Å; F156-L160 WeakPolarHBondContact O-CB 3.46Å; F156-L160 PolarHBondContact O-N 2.8Å; V157-L160 PolarHBondContact O-N 2.88Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 3.45Å; L160-L163 PolarHBondContact O-N 3.38Å; L160-L164 HydrophobicContact CD2-CD1 3.51Å; L160-L164 HydrophobicContact CD2-CG 4.03Å; L160-L164 WeakPolarHBondContact O-CG 3.16Å; L160-L164 PolarHBondContact O-N 3.36Å
161I88.6Confident86.3Confident67 Ų6733.2 Ų33.234%0.34417%0.171SC..Hα-helixtrans-59.6-47.3175.1-68.4164.8000110.4V157 A158 L163 L164 L165V157-I161 HydrophobicContact CG1-CD1 4.05Å; V157-I161 VanDerWaalsContact O-CG1 3.31Å; V157-I161 WeakPolarHBondContact O-CG1 3.49Å; V157-I161 PolarHBondContact O-N 2.92Å; A158-I161 PolarHBondContact O-N 2.87Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 3.24Å; I161-L164 PolarHBondContact O-N 2.92Å; I161-L165 HydrophobicContact CG2-CD1 3.93Å; I161-L165 HydrophobicContact CG2-CG 4.24Å; I161-L165 VanDerWaalsContact O-CG 3.31Å; I161-L165 WeakPolarHBondContact O-CG 3.32Å; I161-L165 PolarHBondContact O-N 3.48Å
162V87.5Confident86Confident1 Ų134.5 Ų34.51%0.00618%0.184CC..Hα-helixtrans-60.4-42.8178.5-178.20000111.4M77 I84 A158 G159 L164 L165 D166 F182M77-V162 HydrophobicContact CE-CG2 3.39Å; M77-V162 HydrophobicContact SD-CG2 3.4Å; M77-V162 WeakPolarHBondContact SD-CG2 3.25Å; I84-V162 HydrophobicContact CD1-CB 4.23Å; I84-V162 HydrophobicContact CD1-CG1 3.54Å; A158-V162 WeakPolarHBondContact O-CG2 3.39Å; A158-V162 PolarHBondContact O-N 3.3Å; G159-V162 PolarHBondContact O-N 3.33Å; V162-L164 VanDerWaalsContact C-N 3.34Å; V162-L164 PolarHBondContact O-N 3.37Å; V162-L165 PolarHBondContact O-N 3.21Å; V162-D166 PolarHBondContact O-N 3.38Å; V162-F182 HydrophobicContact CG1-CD2 4.38Å; V162-F182 HydrophobicContact CG1-CE2 4.09Å
163L86.9Confident85.7Confident15 Ų1534.6 Ų34.68%0.07918%0.183CC..Hα-helixtrans-61.8-44.4178.6-157.7168.8000110.7I84 K117 G159 L160 I161 D166 E167I84-L163 HydrophobicContact CD1-CB 4.3Å; I84-L163 HydrophobicContact CG1-CG 4.39Å; K117-L163 HydrophobicContact CB-CD2 4.19Å; K117-L163 HydrophobicContact CD-CD2 3.65Å; K117-L163 HydrophobicContact CG-CD1 4.07Å; K117-L163 HydrophobicContact CG-CD2 3.6Å; G159-L163 WeakPolarHBondContact O-CB 3.37Å; G159-L163 PolarHBondContact O-N 3.4Å; L160-L163 PolarHBondContact O-N 3.38Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 3.24Å; L163-D166 PolarHBondContact O-N 2.82Å; L163-E167 WeakPolarHBondContact O-CB 3.19Å; L163-E167 PolarHBondContact O-N 2.97Å
164L87.1Confident84.9Confident45 Ų4530.5 Ų30.524%0.23616%0.163CC..Hα-helixtrans-64.6-39.5174.9-68.7179.4000112.5P17 I19 L160 I161 V162 E167 L168P17-L164 WeakPolarHBondContact O-CD2 3.3Å; I19-L164 HydrophobicContact CD1-CB 4.31Å; I19-L164 HydrophobicContact CD1-CD2 4.45Å; I19-L164 WeakPolarHBondContact CD1-O 3.3Å; I19-L164 HydrophobicContact CG1-CD2 4.33Å; L160-L164 HydrophobicContact CD2-CD1 3.51Å; L160-L164 HydrophobicContact CD2-CG 4.03Å; L160-L164 WeakPolarHBondContact O-CG 3.16Å; L160-L164 PolarHBondContact O-N 3.36Å; I161-L164 PolarHBondContact O-N 2.92Å; V162-L164 VanDerWaalsContact C-N 3.34Å; V162-L164 PolarHBondContact O-N 3.37Å; L164-E167 PolarHBondContact O-N 3.1Å; L164-L168 WeakPolarHBondContact O-CB 3.33Å; L164-L168 PolarHBondContact O-N 3.33Å
165L87.9Confident84.2Confident16 Ų1629.2 Ų29.28%0.08416%0.157CC..Hα-helixtrans-64.3-40.7176.8-69.9172.9000111.9T38 I41 I161 V162 L168 L169 F182T38-L165 HydrophobicContact CG2-CD2 3.75Å; I41-L165 HydrophobicContact CB-CD1 4.38Å; I41-L165 HydrophobicContact CD1-CD2 4.33Å; I41-L165 HydrophobicContact CG2-CD1 3.91Å; I161-L165 HydrophobicContact CG2-CD1 3.93Å; I161-L165 HydrophobicContact CG2-CG 4.24Å; I161-L165 VanDerWaalsContact O-CG 3.31Å; I161-L165 WeakPolarHBondContact O-CG 3.32Å; I161-L165 PolarHBondContact O-N 3.48Å; V162-L165 PolarHBondContact O-N 3.21Å; L165-L168 WeakPolarHBondContact O-CB 3.1Å; L165-L168 PolarHBondContact O-N 3.35Å; L165-L169 WeakPolarHBondContact O-CG 3.15Å; L165-L169 PolarHBondContact O-N 3.28Å; L165-F182 HydrophobicContact CB-CZ 3.93Å
166D86.3Confident83.7Confident8 Ų830.7 Ų30.74%0.04317%0.173CC..Hα-helixtrans-63.5-43174.3178.651.4000111.3V162 L163 L168 L169 Q170 G178 I179 F182V162-D166 PolarHBondContact O-N 3.38Å; L163-D166 PolarHBondContact O-N 2.82Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 2.84Å; D166-L169 PolarHBondContact O-N 3.11Å; D166-Q170 WeakPolarHBondContact O-CG 3.4Å; D166-Q170 PolarHBondContact O-N 3.01Å; D166-Q170 PolarHBondContact OD1-NE2 3.43Å; D166-Q170 PolarHBondContact OD2-NE2 3.47Å; D166-G178 WeakPolarHBondContact OD1-CA 3.21Å; D166-G178 PolarHBondContact OD1-N 3.33Å; D166-G178 VanDerWaalsContact OD1-N 3.1Å; D166-I179 PolarHBondContact OD1-N 3.41Å; D166-F182 HydrophobicContact CB-CE2 4.45Å
167E83.9Confident83.3Confident19 Ų1930.1 Ų30.19%0.08918%0.175CC..Hα-helixtrans-63.9-38.2176.8-171.6-176.4156.900112.6E18 I19 K117 L163 L164 L169 Q170 K171E18-E167 WeakPolarHBondContact CG-OE1 3.29Å; I19-E167 HydrophobicContact CB-CG 4.37Å; I19-E167 HydrophobicContact CD1-CB 4.23Å; I19-E167 HydrophobicContact CD1-CG 4.48Å; I19-E167 PolarHBondContact N-OE1 3.18Å; K117-E167 IonicContact NZ-OE2 3.45Å; K117-E167 PolarHBondContact NZ-OE2 2.7Å; L163-E167 WeakPolarHBondContact O-CB 3.19Å; L163-E167 PolarHBondContact O-N 2.97Å; L164-E167 PolarHBondContact O-N 3.1Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 2.74Å; E167-Q170 PolarHBondContact O-N 3.47Å; E167-K171 HydrophobicContact CG-CD 3.95Å; E167-K171 HydrophobicContact CG-CG 4.35Å; E167-K171 WeakPolarHBondContact O-CB 3.16Å; E167-K171 WeakPolarHBondContact O-CG 3.45Å; E167-K171 PolarHBondContact O-N 2.95Å; E167-K171 VanDerWaalsContact OE1-CE 3.28Å; E167-K171 WeakPolarHBondContact OE1-CE 3.5Å; E167-K171 IonicContact OE1-NZ 3.42Å; E167-K171 PolarHBondContact OE1-NZ 3.26Å
168L86.3Confident82.8Confident27 Ų2726.6 Ų26.614%0.14115%0.154CC..Hα-helixtrans-57.8-47.6175.1-171.9148.1000110.1I19 W34 T38 L164 L165 D166 Y173I19-L168 HydrophobicContact CD1-CB 3.69Å; I19-L168 HydrophobicContact CD1-CG 4.49Å; W34-L168 HydrophobicContact CE3-CD1 4.36Å; W34-L168 HydrophobicContact CE3-CD2 4.32Å; W34-L168 HydrophobicContact CZ3-CD1 4.38Å; T38-L168 HydrophobicContact CG2-CD2 3.78Å; L164-L168 WeakPolarHBondContact O-CB 3.33Å; L164-L168 PolarHBondContact O-N 3.33Å; L165-L168 WeakPolarHBondContact O-CB 3.1Å; L165-L168 PolarHBondContact O-N 3.35Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 2.84Å; L168-Y173 HydrophobicContact CD2-CG 4.21Å; L168-Y173 HydrophobicContact CG-CD2 4.2Å; L168-Y173 HydrophobicContact CG-CG 4.23Å; L168-Y173 WeakPolarHBondContact O-CB 3.43Å; L168-Y173 WeakPolarHBondContact O-CD2 3.48Å; L168-Y173 PolarHBondContact O-N 3.14Å
169L84.8Confident82.6Confident1 Ų127.9 Ų27.91%0.00516%0.159CC..Iπ-helixtrans-66.2-46.4179.5-64.6173.5000111.1T35 T38 L165 D166 E167 K171 G172 G174 G178 L181 F182T35-L169 HydrophobicContact CG2-CD2 4.49Å; T38-L169 HydrophobicContact CG2-CD2 4.13Å; T38-L169 HydrophobicContact CG2-CG 4.33Å; L165-L169 WeakPolarHBondContact O-CG 3.15Å; L165-L169 PolarHBondContact O-N 3.28Å; D166-L169 PolarHBondContact O-N 3.11Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 2.74Å; L169-K171 VanDerWaalsContact C-N 3.31Å; L169-K171 PolarHBondContact O-N 3.32Å; L169-G172 PolarHBondContact O-N 3.37Å; L169-G172 VanDerWaalsContact O-N 3.14Å; L169-G174 VanDerWaalsContact CD2-CA 3.41Å; L169-G178 VanDerWaalsContact CD1-CA 3.44Å; L169-L181 HydrophobicContact CD1-CD2 3.97Å; L169-F182 HydrophobicContact CD1-CZ 4.34Å
170Q80.9Confident82.4Confident94 Ų9428.5 Ų28.544%0.43916%0.163SC..Iπ-helixtrans-64.9-29.6-180-71.8-178.718.300114.1D166 E167 G172D166-Q170 WeakPolarHBondContact O-CG 3.4Å; D166-Q170 PolarHBondContact O-N 3.01Å; D166-Q170 PolarHBondContact OD1-NE2 3.43Å; D166-Q170 PolarHBondContact OD2-NE2 3.47Å; E167-Q170 PolarHBondContact O-N 3.47Å; Q170-G172 PolarHBondContact O-N 3.05Å
171K81.4Confident82.3Confident34 Ų3427.2 Ų27.215%0.14816%0.156CC..Iπ-helixtrans-76.71.3177.4-75.2-176174-179.50114.2E18 I19 K21 P22 E167 L169 Y173E18-K171 IonicContact OE1-NZ 3.48Å; E18-K171 PolarHBondContact OE1-NZ 3.42Å; I19-K171 HydrophobicContact CB-CD 4.11Å; I19-K171 HydrophobicContact CG2-CD 4.25Å; I19-K171 WeakPolarHBondContact O-CD 3.33Å; I19-K171 WeakPolarHBondContact O-CE 3.49Å; I19-K171 PolarHBondContact O-NZ 3.26Å; K21-K171 HydrophobicContact CG-CD 4.18Å; K21-K171 HydrophobicContact CG-CG 4.35Å; P22-K171 WeakPolarHBondContact CD-O 3.4Å; E167-K171 HydrophobicContact CG-CD 3.95Å; E167-K171 HydrophobicContact CG-CG 4.35Å; E167-K171 WeakPolarHBondContact O-CB 3.16Å; E167-K171 WeakPolarHBondContact O-CG 3.45Å; E167-K171 PolarHBondContact O-N 2.95Å; E167-K171 VanDerWaalsContact OE1-CE 3.28Å; E167-K171 WeakPolarHBondContact OE1-CE 3.5Å; E167-K171 IonicContact OE1-NZ 3.42Å; E167-K171 PolarHBondContact OE1-NZ 3.26Å; L169-K171 VanDerWaalsContact C-N 3.31Å; L169-K171 PolarHBondContact O-N 3.32Å; K171-Y173 HydrophobicContact CB-CD2 4.38Å
172G75.8Confident82.1Confident27 Ų2724 Ų2428%0.27814%0.139SC..Iπ-helixtrans96.87.217100000114.7L169 Q170 G174L169-G172 PolarHBondContact O-N 3.37Å; L169-G172 VanDerWaalsContact O-N 3.14Å; Q170-G172 PolarHBondContact O-N 3.05Å; G172-G174 VanDerWaalsContact C-N 3.25Å
173Y79.6Confident81.9Confident47 Ų4724.2 Ų24.218%0.18414%0.14CC..Iπ-helixtrans-71.2-27.7164-63.7-91.2000111I19 Q20 P22 I26 K31 W34 L168 K171I19-Y173 HydrophobicContact CG2-CE2 4.02Å; Q20-Y173 WeakPolarHBondContact O-CE2 3.21Å; Q20-Y173 PolarHBondContact O-OH 3.24Å; P22-Y173 HydrophobicContact CB-CE1 4.17Å; P22-Y173 HydrophobicContact CB-CE2 4.45Å; P22-Y173 HydrophobicContact CG-CE2 4.36Å; I26-Y173 HydrophobicContact CD1-CD1 3.23Å; I26-Y173 HydrophobicContact CD1-CE1 3.64Å; I26-Y173 HydrophobicContact CD1-CG 3.71Å; K31-Y173 VanDerWaalsContact CA-O 3.27Å; K31-Y173 WeakPolarHBondContact CA-O 3.44Å; W34-Y173 WeakPolarHBondContact CB-O 3.16Å; L168-Y173 HydrophobicContact CD2-CG 4.21Å; L168-Y173 HydrophobicContact CG-CD2 4.2Å; L168-Y173 HydrophobicContact CG-CG 4.23Å; L168-Y173 WeakPolarHBondContact O-CB 3.43Å; L168-Y173 WeakPolarHBondContact O-CD2 3.48Å; L168-Y173 PolarHBondContact O-N 3.14Å; K171-Y173 HydrophobicContact CB-CD2 4.38Å
174G73.6Confident81.8Confident5 Ų523.8 Ų23.85%0.05214%0.139CC..SBendtrans-97.4164.7177.200000114.1T35 L169 G172T35-G174 WeakPolarHBondContact OG1-CA 3.46Å; L169-G174 VanDerWaalsContact CD2-CA 3.41Å; G172-G174 VanDerWaalsContact C-N 3.25Å
175L73.2Confident81.8Confident15 Ų1522.9 Ų22.98%0.07914%0.135CC..SBendtrans-79.8126.7156.8-63.5159.3000106.7F28 K31 V32 T35 Y457 E464F28-L175 HydrophobicContact CD2-CD2 4.37Å; F28-L175 HydrophobicContact CE2-CD2 3.91Å; K31-L175 HydrophobicContact CB-CG 4.32Å; K31-L175 HydrophobicContact CD-CD2 4.4Å; V32-L175 HydrophobicContact CB-CD1 4.47Å; V32-L175 HydrophobicContact CG2-CD1 3.65Å; T35-L175 PolarHBondContact OG1-N 2.76Å; T35-L175 VanDerWaalsContact OG1-N 3.08Å; L175-Y457 VanDerWaalsContact C-CE1 3.47Å; L175-Y457 HydrophobicContact CB-CD1 4.13Å; L175-Y457 HydrophobicContact CB-CE1 3.92Å; L175-Y457 WeakPolarHBondContact O-CE1 3.49Å; L175-Y457 VanDerWaalsContact O-CZ 3.29Å; L175-Y457 PolarHBondContact O-OH 3.33Å; L175-E464 WeakPolarHBondContact CD2-OE2 3.36Å
176G74.6Confident81.6Confident33 Ų3322.3 Ų22.334%0.3413%0.132SC..SBendtrans67-150.6172.700000117Y457G176-Y457 WeakPolarHBondContact CA-OH 3.32Å
177S80.4Confident81.5Confident41 Ų4122.1 Ų22.129%0.28713%0.131SC..  trans-107.9135.4-174.5170.40000111.5I179 S180 L181 Y457S177-I179 PolarHBondContact O-N 3.31Å; S177-S180 PolarHBondContact O-N 3.19Å; S177-S180 PolarHBondContact O-OG 3.05Å; S177-L181 PolarHBondContact O-N 2.77Å; S177-Y457 PolarHBondContact N-OH 3.42Å; S177-Y457 PolarHBondContact O-OH 3.26Å
178G79.4Confident81.5Confident0 Ų023.5 Ų23.50%014%0.142CC..Hα-helixtrans-60.4-42.4-178.800000113.5D166 L169 S180 L181 F182D166-G178 WeakPolarHBondContact OD1-CA 3.21Å; D166-G178 PolarHBondContact OD1-N 3.33Å; D166-G178 VanDerWaalsContact OD1-N 3.1Å; L169-G178 VanDerWaalsContact CD1-CA 3.44Å; G178-S180 VanDerWaalsContact C-N 3.34Å; G178-S180 PolarHBondContact O-N 3.1Å; G178-L181 PolarHBondContact O-N 3.45Å; G178-L181 VanDerWaalsContact O-N 3.14Å; G178-F182 WeakPolarHBondContact O-CD2 3.42Å; G178-F182 WeakPolarHBondContact O-CG 3.33Å; G178-F182 PolarHBondContact O-N 2.96Å
179I82.3Confident81.5Confident34 Ų3424.4 Ų24.417%0.17415%0.146CC..Hα-helixtrans-51.4-52.5176.4-59.1172000111.3I81 I84 V85 D166 S177 L181 F182 I183I81-I179 HydrophobicContact CG2-CB 4.31Å; I81-I179 HydrophobicContact CG2-CG1 3.98Å; I81-I179 HydrophobicContact CG2-CG2 4.12Å; I84-I179 HydrophobicContact CG2-CD1 3.75Å; I84-I179 HydrophobicContact CG2-CG1 3.87Å; V85-I179 HydrophobicContact CG2-CD1 4.47Å; V85-I179 HydrophobicContact CG2-CG2 3.63Å; D166-I179 PolarHBondContact OD1-N 3.41Å; S177-I179 PolarHBondContact O-N 3.31Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 2.68Å; I179-F182 PolarHBondContact O-N 3.35Å; I179-I183 HydrophobicContact CG2-CD1 3.89Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.43Å; I179-I183 PolarHBondContact O-N 3.45Å; I179-I183 VanDerWaalsContact O-N 3.17Å
180S81.9Confident81.2Confident23 Ų2326.5 Ų26.516%0.16116%0.159CC..Hα-helixtrans-63.4-40.1-178.355.60000112.2S177 G178 A184 I453S177-S180 PolarHBondContact O-N 3.19Å; S177-S180 PolarHBondContact O-OG 3.05Å; G178-S180 VanDerWaalsContact C-N 3.34Å; G178-S180 PolarHBondContact O-N 3.1Å; S180-A184 WeakPolarHBondContact O-CB 3.31Å; S180-A184 PolarHBondContact O-N 3.45Å; S180-I453 WeakPolarHBondContact O-CD1 3.12Å
181L85.2Confident81.3Confident19 Ų1924.1 Ų24.110%0.09915%0.149CC..Hα-helixtrans-66.8-42.8-178.3-169.766.6000112.4T35 L39 L169 S177 G178 I179 A184 T185 Y457T35-L181 HydrophobicContact CG2-CD2 3.49Å; T35-L181 VanDerWaalsContact CG2-CD2 3.49Å; L39-L181 HydrophobicContact CD1-CD1 4.12Å; L39-L181 HydrophobicContact CD1-CD2 3.98Å; L39-L181 HydrophobicContact CD1-CG 4.13Å; L39-L181 HydrophobicContact CD2-CD1 4.39Å; L39-L181 HydrophobicContact CD2-CD2 3.82Å; L39-L181 HydrophobicContact CD2-CG 3.66Å; L39-L181 HydrophobicContact CG-CD2 3.69Å; L39-L181 HydrophobicContact CG-CG 4.02Å; L169-L181 HydrophobicContact CD1-CD2 3.97Å; S177-L181 PolarHBondContact O-N 2.77Å; G178-L181 PolarHBondContact O-N 3.45Å; G178-L181 VanDerWaalsContact O-N 3.14Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 2.68Å; L181-A184 PolarHBondContact O-N 3.02Å; L181-T185 WeakPolarHBondContact O-CB 3.5Å; L181-T185 PolarHBondContact O-N 3.23Å; L181-T185 PolarHBondContact O-OG1 3.43Å; L181-Y457 HydrophobicContact CD1-CE1 4.17Å
182F85.9Confident81.5Confident0 Ų026.6 Ų26.60%017%0.166CC..Hα-helixtrans-66.8-41.4178.8-61.9-32.5000112.1L39 F42 I81 V162 L165 D166 L169 G178 I179 T185 N186L39-F182 HydrophobicContact CD2-CD1 4.47Å; F42-F182 HydrophobicContact CB-CD1 3.96Å; F42-F182 HydrophobicContact CB-CE1 3.8Å; F42-F182 HydrophobicContact CD1-CB 4.45Å; F42-F182 AromaticContact CD1-CD1 3.84Å; F42-F182 HydrophobicContact CD1-CD1 3.84Å; F42-F182 HydrophobicContact CD1-CG 4.4Å; F42-F182 HydrophobicContact CD2-CB 4.41Å; F42-F182 AromaticContact CD2-CD1 3.71Å; F42-F182 HydrophobicContact CD2-CD1 3.71Å; F42-F182 HydrophobicContact CD2-CD2 4.38Å; F42-F182 HydrophobicContact CD2-CE1 4.02Å; F42-F182 AromaticContact CD2-CG 3.92Å; F42-F182 HydrophobicContact CD2-CG 3.92Å; F42-F182 HydrophobicContact CD2-CZ 4.48Å; F42-F182 HydrophobicContact CE1-CB 4.03Å; F42-F182 HydrophobicContact CE1-CD1 4.27Å; F42-F182 HydrophobicContact CE1-CG 4.42Å; F42-F182 HydrophobicContact CE2-CB 4Å; F42-F182 HydrophobicContact CE2-CD1 4.17Å; F42-F182 HydrophobicContact CE2-CD2 4.4Å; F42-F182 AromaticContact CE2-CG 3.95Å; F42-F182 HydrophobicContact CE2-CG 3.95Å; F42-F182 AromaticContact CG-CD1 3.54Å; F42-F182 HydrophobicContact CG-CD1 3.54Å; F42-F182 AromaticContact CG-CE1 3.87Å; F42-F182 HydrophobicContact CG-CE1 3.87Å; F42-F182 HydrophobicContact CG-CG 4.17Å; F42-F182 HydrophobicContact CZ-CB 3.8Å; F42-F182 HydrophobicContact CZ-CD1 4.44Å; F42-F182 HydrophobicContact CZ-CG 4.21Å; I81-F182 HydrophobicContact CD1-CB 3.37Å; I81-F182 HydrophobicContact CD1-CD2 4.3Å; I81-F182 HydrophobicContact CD1-CG 4.35Å; I81-F182 HydrophobicContact CG1-CB 4.03Å; I81-F182 HydrophobicContact CG1-CD2 4.24Å; V162-F182 HydrophobicContact CG1-CD2 4.38Å; V162-F182 HydrophobicContact CG1-CE2 4.09Å; L165-F182 HydrophobicContact CB-CZ 3.93Å; D166-F182 HydrophobicContact CB-CE2 4.45Å; L169-F182 HydrophobicContact CD1-CZ 4.34Å; G178-F182 WeakPolarHBondContact O-CD2 3.42Å; G178-F182 WeakPolarHBondContact O-CG 3.33Å; G178-F182 PolarHBondContact O-N 2.96Å; I179-F182 PolarHBondContact O-N 3.35Å; F182-T185 PolarHBondContact O-N 2.91Å; F182-N186 PolarHBondContact O-N 2.99Å; F182-N186 VanDerWaalsContact O-N 3.09Å
183I82.6Confident81.9Confident6 Ų631.9 Ų31.93%0.03118%0.178CC..Hα-helixtrans-60.4-50.6174.4-65.8170.1000110.5I81 I179 T185 N186 I187 I453I81-I183 HydrophobicContact CD1-CG1 3.64Å; I179-I183 HydrophobicContact CG2-CD1 3.89Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.43Å; I179-I183 PolarHBondContact O-N 3.45Å; I179-I183 VanDerWaalsContact O-N 3.17Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 PolarHBondContact O-N 3.28Å; I183-N186 PolarHBondContact O-N 3.44Å; I183-I187 HydrophobicContact CG2-CD1 3.65Å; I183-I187 WeakPolarHBondContact O-CD1 3.49Å; I183-I187 VanDerWaalsContact O-CG1 3.3Å; I183-I187 WeakPolarHBondContact O-CG1 3.36Å; I183-I187 PolarHBondContact O-N 3.4Å; I183-I453 HydrophobicContact CG2-CD1 4.42Å
184A85.3Confident81.7Confident6 Ų631.9 Ų31.95%0.0518%0.179CC..Hα-helixtrans-60.1-39.1-179.300000112S180 L181 C188 I453S180-A184 WeakPolarHBondContact O-CB 3.31Å; S180-A184 PolarHBondContact O-N 3.45Å; L181-A184 PolarHBondContact O-N 3.02Å; A184-C188 WeakPolarHBondContact O-CB 3.49Å; A184-C188 PolarHBondContact O-N 3.31Å; A184-C188 PolarHBondContact O-SG 3.32Å; A184-I453 HydrophobicContact CB-CB 4.19Å; A184-I453 HydrophobicContact CB-CD1 4.32Å; A184-I453 HydrophobicContact CB-CG2 3.88Å
185T87Confident82.1Confident25 Ų2532 Ų3215%0.15318%0.179CC..Hα-helixtrans-65.6-47.6-179.9-58.20000112.2L39 L43 L181 F182 I183 I187 C188 E189L39-T185 HydrophobicContact CD2-CG2 4.17Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.46Å; L43-T185 HydrophobicContact CD1-CG2 4.26Å; L43-T185 HydrophobicContact CD2-CG2 3.64Å; L43-T185 HydrophobicContact CG-CG2 4.01Å; L181-T185 WeakPolarHBondContact O-CB 3.5Å; L181-T185 PolarHBondContact O-N 3.23Å; L181-T185 PolarHBondContact O-OG1 3.43Å; F182-T185 PolarHBondContact O-N 2.91Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 PolarHBondContact O-N 3.28Å; T185-I187 VanDerWaalsContact C-N 3.3Å; T185-I187 PolarHBondContact O-N 2.88Å; T185-C188 PolarHBondContact O-N 3.41Å; T185-E189 WeakPolarHBondContact O-CB 3.46Å; T185-E189 PolarHBondContact O-N 2.99Å
186N83.6Confident82.5Confident5 Ų536.6 Ų36.63%0.02720%0.199CC..Hα-helixtrans-64.3-35.6179.9-176.4-91.6000112.4A70 N72 F182 I183 E189 T190A70-N186 HydrophobicContact CB-CB 3.66Å; N72-N186 PolarHBondContact OD1-ND2 3.22Å; F182-N186 PolarHBondContact O-N 2.99Å; F182-N186 VanDerWaalsContact O-N 3.09Å; I183-N186 PolarHBondContact O-N 3.44Å; N186-E189 PolarHBondContact O-N 2.9Å; N186-T190 WeakPolarHBondContact O-CB 3.28Å; N186-T190 PolarHBondContact O-N 3.29Å; N186-T190 PolarHBondContact O-OG1 3.03Å
187I83.6Confident82.6Confident3 Ų335 Ų352%0.01518%0.183CC..Hα-helixtrans-67.4-43.9174.8-63.8165.1000110.4I183 T185 T190 I191 G446 L449 A450I183-I187 HydrophobicContact CG2-CD1 3.65Å; I183-I187 WeakPolarHBondContact O-CD1 3.49Å; I183-I187 VanDerWaalsContact O-CG1 3.3Å; I183-I187 WeakPolarHBondContact O-CG1 3.36Å; I183-I187 PolarHBondContact O-N 3.4Å; T185-I187 VanDerWaalsContact C-N 3.3Å; T185-I187 PolarHBondContact O-N 2.88Å; I187-T190 PolarHBondContact O-N 3.02Å; I187-I191 HydrophobicContact CG2-CD1 3.9Å; I187-I191 VanDerWaalsContact O-CG1 3.26Å; I187-I191 WeakPolarHBondContact O-CG1 3.4Å; I187-I191 PolarHBondContact O-N 3.42Å; I187-G446 WeakPolarHBondContact CD1-O 3.24Å; I187-L449 HydrophobicContact CD1-CB 4.43Å; I187-A450 HydrophobicContact CB-CB 4.12Å; I187-A450 HydrophobicContact CD1-CB 4.35Å; I187-A450 HydrophobicContact CG2-CB 3.8Å
188C85.4Confident82.3Confident48 Ų4837 Ų3732%0.32420%0.195SC..Hα-helixtrans-63-42.1175.7-66.90000111.9A184 T185 T190 I191 V192A184-C188 WeakPolarHBondContact O-CB 3.49Å; A184-C188 PolarHBondContact O-N 3.31Å; A184-C188 PolarHBondContact O-SG 3.32Å; T185-C188 PolarHBondContact O-N 3.41Å; C188-T190 PolarHBondContact O-N 2.93Å; C188-I191 PolarHBondContact O-N 2.87Å; C188-V192 WeakPolarHBondContact O-CB 3.4Å; C188-V192 VanDerWaalsContact O-CG2 3.29Å; C188-V192 WeakPolarHBondContact O-CG2 3.3Å; C188-V192 PolarHBondContact O-N 2.93Å
189E84.2Confident82.1Confident46 Ų4639.7 Ų39.722%0.21521%0.211CC..Hα-helixtrans-57-48.5174.2-179.3-176.4-174.600110.9Q47 T185 N186 I191 V192 W193Q47-E189 PolarHBondContact NE2-OE1 3.42Å; T185-E189 WeakPolarHBondContact O-CB 3.46Å; T185-E189 PolarHBondContact O-N 2.99Å; N186-E189 PolarHBondContact O-N 2.9Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 2.62Å; E189-V192 PolarHBondContact O-N 2.66Å; E189-W193 VanDerWaalsContact O-CB 3.29Å; E189-W193 WeakPolarHBondContact O-CB 3.04Å; E189-W193 PolarHBondContact O-N 2.71Å
190T79.6Confident81.6Confident46 Ų4641.8 Ų41.828%0.28223%0.225SC..Hα-helixtrans-62.1-40.3178.6-59.10000112.1N186 I187 C188 K194N186-T190 WeakPolarHBondContact O-CB 3.28Å; N186-T190 PolarHBondContact O-N 3.29Å; N186-T190 PolarHBondContact O-OG1 3.03Å; I187-T190 PolarHBondContact O-N 3.02Å; C188-T190 PolarHBondContact O-N 2.93Å; T190-K194 HydrophobicContact CG2-CD 4.26Å; T190-K194 WeakPolarHBondContact O-CB 3.2Å; T190-K194 WeakPolarHBondContact O-CG 3.19Å; T190-K194 PolarHBondContact O-N 3.23Å
191I82.9Confident80.8Confident43 Ų4343.2 Ų43.222%0.22123%0.233CC..Hα-helixtrans-65.4-46.9177.5-68.3165.7000110.4I187 C188 E189 K194 A195 I447I187-I191 HydrophobicContact CG2-CD1 3.9Å; I187-I191 VanDerWaalsContact O-CG1 3.26Å; I187-I191 WeakPolarHBondContact O-CG1 3.4Å; I187-I191 PolarHBondContact O-N 3.42Å; C188-I191 PolarHBondContact O-N 2.87Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 2.62Å; I191-K194 PolarHBondContact O-N 3.21Å; I191-A195 WeakPolarHBondContact O-CB 3.32Å; I191-A195 PolarHBondContact O-N 3Å; I191-I447 HydrophobicContact CD1-CG1 4.27Å
192V85.6Confident79.6Confident86 Ų8647.6 Ų47.652%0.52126%0.257SS..Hα-helixtrans-64.3-42.7178.4172.80000110.6C188 E189 A195 F196C188-V192 WeakPolarHBondContact O-CB 3.4Å; C188-V192 VanDerWaalsContact O-CG2 3.29Å; C188-V192 WeakPolarHBondContact O-CG2 3.3Å; C188-V192 PolarHBondContact O-N 2.93Å; E189-V192 PolarHBondContact O-N 2.66Å; V192-A195 PolarHBondContact O-N 3.34Å; V192-F196 HydrophobicContact CG1-CD2 4.24Å; V192-F196 PolarHBondContact O-N 3.22Å
193W83.4Confident78.3Confident139 Ų13950.5 Ų50.553%0.52727%0.274SS..Hα-helixtrans-61-49.5176.8-169.8-99.1000111.3E189 A195 F196 S197 T199E189-W193 VanDerWaalsContact O-CB 3.29Å; E189-W193 WeakPolarHBondContact O-CB 3.04Å; E189-W193 PolarHBondContact O-N 2.71Å; W193-A195 PolarHBondContact O-N 2.94Å; W193-F196 PolarHBondContact O-N 3.49Å; W193-S197 WeakPolarHBondContact O-CA 3.37Å; W193-S197 WeakPolarHBondContact O-CB 3.47Å; W193-S197 PolarHBondContact O-N 3.47Å; W193-S197 PolarHBondContact O-OG 3.39Å; W193-T199 HydrophobicContact CZ2-CG2 4.47Å
194K76.9Confident76.9Confident47 Ų4753.8 Ų53.820%0.20431%0.309CS..Hα-helixtrans-66.2-23.8177.7-72.7-176.3178.1-178.40113.6T190 I191 A212 P240 I441T190-K194 HydrophobicContact CG2-CD 4.26Å; T190-K194 WeakPolarHBondContact O-CB 3.2Å; T190-K194 WeakPolarHBondContact O-CG 3.19Å; T190-K194 PolarHBondContact O-N 3.23Å; I191-K194 PolarHBondContact O-N 3.21Å; K194-A212 PolarHBondContact O-N 3.25Å; K194-P240 HydrophobicContact CB-CG 4.35Å; K194-I441 HydrophobicContact CB-CG2 3.5Å; K194-I441 VanDerWaalsContact CB-CG2 3.5Å; K194-I441 HydrophobicContact CD-CG2 3.46Å; K194-I441 VanDerWaalsContact CD-CG2 3.46Å; K194-I441 HydrophobicContact CG-CG2 4.1Å
195A81.3Confident75.5Confident6 Ų663 Ų635%0.0534%0.343CS..Hα-helixtrans-80.7-39.617600000112.9I191 V192 W193 G211 A212 I213 L245I191-A195 WeakPolarHBondContact O-CB 3.32Å; I191-A195 PolarHBondContact O-N 3Å; V192-A195 PolarHBondContact O-N 3.34Å; W193-A195 PolarHBondContact O-N 2.94Å; A195-G211 CarbonylContact O-C 3.55Å; A195-A212 PolarHBondContact O-N 2.98Å; A195-I213 HydrophobicContact CB-CD1 4.34Å; A195-I213 PolarHBondContact O-N 3.43Å; A195-I213 VanDerWaalsContact O-N 3.11Å; A195-L245 HydrophobicContact CB-CD1 3.73Å
196F81.9Confident74.2Confident113 Ų11363.4 Ų63.450%0.49635%0.352SS..Hα-helixtrans-123.515.4-168.5-66.4-80.2000114.6V192 W193 P198 I213 I214V192-F196 HydrophobicContact CG1-CD2 4.24Å; V192-F196 PolarHBondContact O-N 3.22Å; W193-F196 PolarHBondContact O-N 3.49Å; F196-P198 WeakPolarHBondContact O-CD 3.26Å; F196-I213 HydrophobicContact CD1-CB 4.44Å; F196-I213 HydrophobicContact CD1-CD1 4.22Å; F196-I213 HydrophobicContact CE1-CB 4.3Å; F196-I213 HydrophobicContact CE1-CD1 3.58Å; F196-I213 HydrophobicContact CE1-CG2 4.16Å; F196-I213 HydrophobicContact CE2-CD1 3.92Å; F196-I213 HydrophobicContact CZ-CD1 3.41Å; F196-I213 VanDerWaalsContact CZ-CD1 3.41Å; F196-I214 WeakPolarHBondContact O-CD1 3.28Å
197S77.3Confident73.1Confident0 Ų067 Ų670%037%0.374CS..  trans-63.5126.5-178.451.10000111.4W193 T199 E210 G211W193-S197 WeakPolarHBondContact O-CA 3.37Å; W193-S197 WeakPolarHBondContact O-CB 3.47Å; W193-S197 PolarHBondContact O-N 3.47Å; W193-S197 PolarHBondContact O-OG 3.39Å; S197-T199 VanDerWaalsContact C-N 3.25Å; S197-T199 PolarHBondContact O-N 2.83Å; S197-E210 WeakPolarHBondContact OG-CB 3.3Å; S197-G211 WeakPolarHBondContact O-CA 3.46Å; S197-G211 PolarHBondContact O-N 3.35Å; S197-G211 VanDerWaalsContact O-N 3.16Å; S197-G211 WeakPolarHBondContact OG-CA 3.34Å; S197-G211 PolarHBondContact OG-N 3.04Å
198P73.2Confident72.3Confident83 Ų8368.3 Ų68.354%0.53938%0.38SS..  trans-84.81.7179.634.5-35.3000113F196 I214F196-P198 WeakPolarHBondContact O-CD 3.26Å; P198-I214 HydrophobicContact CB-CD1 4.43Å
199T74.9Confident71.4Confident55 Ų5568.1 Ų68.134%0.33737%0.374SS..  trans-68138.3179.541.50000110.7W193 S197 F209 E210W193-T199 HydrophobicContact CZ2-CG2 4.47Å; S197-T199 VanDerWaalsContact C-N 3.25Å; S197-T199 PolarHBondContact O-N 2.83Å; T199-F209 WeakPolarHBondContact O-CA 3.44Å; T199-E210 PolarHBondContact O-N 2.95Å; T199-E210 WeakPolarHBondContact OG1-CB 3.32Å; T199-E210 PolarHBondContact OG1-OE2 2.87Å
200T71.4Confident70.6Confident78 Ų7868.6 Ų68.648%0.47938%0.376SS..EExtended strand (participates in β ladder)trans-106.5126.4176.255.80000110E208 F209T200-E208 CarbonylContact C-O 3.58Å; T200-E208 WeakPolarHBondContact CA-O 3.24Å; T200-F209 HydrophobicContact CG2-CD1 3.56Å; T200-F209 HydrophobicContact CG2-CE1 3.4Å; T200-F209 HydrophobicContact CG2-CE2 4.39Å; T200-F209 HydrophobicContact CG2-CG 4.15Å; T200-F209 HydrophobicContact CG2-CZ 3.86Å
201V65.6Low70.1Confident53 Ų5366.4 Ų66.432%0.32136%0.363SS..EExtended strand (participates in β ladder)trans-105.3132.1171.3-175.80000108E208V201-E208 PolarHBondContact N-O 3.34Å; V201-E208 PolarHBondContact O-N 3.06Å
202N61.1Low69.5Low112 Ų11264.6 Ų64.660%0.59935%0.354SS*.EExtended strand (participates in β ladder)trans-101.793.3-179.5-165.7-6.9000109.9G204 G206N202-G204 PolarHBondContact O-N 3.07Å; N202-G206 PolarHBondContact OD1-O 2.97Å; N202-G206 VanDerWaalsContact OD1-O 3.1Å
203T57.4Low69Low61 Ų6162.3 Ų62.337%0.37434%0.339SS..  trans-8836.5-178.2-44.30000112R205T203-R205 PolarHBondContact O-N 3.06Å
204G52.4Low68.5Low74 Ų7458.2 Ų58.276%0.76333%0.327SS*.SBendtrans69.4-4.7175.800000116.1N202N202-G204 PolarHBondContact O-N 3.07Å
205R56.3Low68Low201 Ų20156.4 Ų56.476%0.75832%0.32SS*.SBendtrans-109.52.9173.7-75.4-175.7169.1165.81.3114.1T203T203-R205 PolarHBondContact O-N 3.06Å
206G59.4Low67.4Low33 Ų3357.8 Ų57.834%0.3433%0.326SS..SBendtrans134.1172.2-177.500000112N202 E208N202-G206 PolarHBondContact OD1-O 2.97Å; N202-G206 VanDerWaalsContact OD1-O 3.1Å; G206-E208 PolarHBondContact O-N 3.46Å
207T62.2Low67Low81 Ų8159 Ų5950%0.49733%0.332SS..EExtended strand (participates in β ladder)trans-73.3112.6172.950.90000109.7
208E65.2Low66.6Low30 Ų3062 Ų6214%0.1435%0.346CS..EExtended strand (participates in β ladder)trans-107.5127178.7-57.3-171.6143.700108.5T200 V201 G206 R236 L239T200-E208 CarbonylContact C-O 3.58Å; T200-E208 WeakPolarHBondContact CA-O 3.24Å; V201-E208 PolarHBondContact N-O 3.34Å; V201-E208 PolarHBondContact O-N 3.06Å; G206-E208 PolarHBondContact O-N 3.46Å; E208-R236 IonicContact OE1-CZ 3Å; E208-R236 IonicContact OE1-NE 3.33Å; E208-R236 IonicContact OE1-NH2 2.71Å; E208-R236 PolarHBondContact OE1-NH2 3.47Å; E208-R236 IonicContact OE2-CZ 2.76Å; E208-R236 IonicContact OE2-NE 2.79Å; E208-R236 PolarHBondContact OE2-NE 3.34Å; E208-R236 IonicContact OE2-NH1 2.73Å; E208-R236 IonicContact OE2-NH2 3.52Å; E208-R236 PolarHBondContact OE2-NH2 3.11Å; E208-L239 HydrophobicContact CB-CD1 4.21Å
209F66.8Low66.2Low44 Ų4459 Ų5919%0.19333%0.325CS..EExtended strand (participates in β ladder)trans-68.3140.7171.3-70.8-83000109.8T199 T200 I214 A215 H218T199-F209 WeakPolarHBondContact O-CA 3.44Å; T200-F209 HydrophobicContact CG2-CD1 3.56Å; T200-F209 HydrophobicContact CG2-CE1 3.4Å; T200-F209 HydrophobicContact CG2-CE2 4.39Å; T200-F209 HydrophobicContact CG2-CG 4.15Å; T200-F209 HydrophobicContact CG2-CZ 3.86Å; F209-I214 HydrophobicContact CB-CB 4.47Å; F209-I214 HydrophobicContact CB-CG2 4.1Å; F209-I214 HydrophobicContact CD1-CG2 3.79Å; F209-I214 HydrophobicContact CD2-CG2 4.23Å; F209-I214 HydrophobicContact CE1-CG2 4.28Å; F209-I214 HydrophobicContact CG-CG2 3.76Å; F209-A215 HydrophobicContact CB-CB 4.02Å; F209-A215 WeakPolarHBondContact O-CB 3.32Å; F209-H218 HydrophobicContact CD2-CB 3.64Å; F209-H218 AromaticContact CD2-CD2 3.86Å; F209-H218 AromaticContact CD2-CG 3.66Å; F209-H218 HydrophobicContact CE2-CB 3.76Å; F209-H218 AromaticContact CE2-CD2 3.73Å; F209-H218 AromaticContact CE2-CE1 3.95Å; F209-H218 AromaticContact CE2-CG 3.4Å; F209-H218 VanDerWaalsContact CE2-CG 3.4Å; F209-H218 AromaticContact CE2-ND1 3.57Å
210E66.9Low65.9Low55 Ų5560 Ų6026%0.25733%0.328SS..SBendtrans-73.2-33.7177.6-172.6-176.5168.400111.6S197 T199 A212 L239S197-E210 WeakPolarHBondContact OG-CB 3.3Å; T199-E210 PolarHBondContact O-N 2.95Å; T199-E210 WeakPolarHBondContact OG1-CB 3.32Å; T199-E210 PolarHBondContact OG1-OE2 2.87Å; E210-A212 PolarHBondContact O-N 3.28Å; E210-L239 HydrophobicContact CG-CD2 4.22Å
211G70.1Confident65.9Low0 Ų060.4 Ų60.40%034%0.339CS..SBendtrans-72.5124.2-178.800000112.4A195 S197 I213 I214 A215A195-G211 CarbonylContact O-C 3.55Å; S197-G211 WeakPolarHBondContact O-CA 3.46Å; S197-G211 PolarHBondContact O-N 3.35Å; S197-G211 VanDerWaalsContact O-N 3.16Å; S197-G211 WeakPolarHBondContact OG-CA 3.34Å; S197-G211 PolarHBondContact OG-N 3.04Å; G211-I213 VanDerWaalsContact C-N 3.25Å; G211-I213 PolarHBondContact O-N 2.86Å; G211-I213 VanDerWaalsContact O-N 3.17Å; G211-I214 PolarHBondContact O-N 3.49Å; G211-A215 WeakPolarHBondContact O-CB 3.28Å; G211-A215 PolarHBondContact O-N 3.23Å
212A69.1Low66.1Low5 Ų562.2 Ų62.24%0.04135%0.351CS..Hα-helixtrans-53.9-39.3-176.700000113.5K194 A195 E210 L216 P240K194-A212 PolarHBondContact O-N 3.25Å; A195-A212 PolarHBondContact O-N 2.98Å; E210-A212 PolarHBondContact O-N 3.28Å; A212-L216 PolarHBondContact O-N 2.99Å; A212-P240 HydrophobicContact CB-CB 4.43Å; A212-P240 WeakPolarHBondContact CB-O 3.45Å
213I76Confident66.1Low39 Ų3963.4 Ų63.420%0.235%0.347CS..Hα-helixtrans-80.7-43.4-177.6-63.4169.2000110.9A195 F196 G211 A215 L216 F217 L245A195-I213 HydrophobicContact CB-CD1 4.34Å; A195-I213 PolarHBondContact O-N 3.43Å; A195-I213 VanDerWaalsContact O-N 3.11Å; F196-I213 HydrophobicContact CD1-CB 4.44Å; F196-I213 HydrophobicContact CD1-CD1 4.22Å; F196-I213 HydrophobicContact CE1-CB 4.3Å; F196-I213 HydrophobicContact CE1-CD1 3.58Å; F196-I213 HydrophobicContact CE1-CG2 4.16Å; F196-I213 HydrophobicContact CE2-CD1 3.92Å; F196-I213 HydrophobicContact CZ-CD1 3.41Å; F196-I213 VanDerWaalsContact CZ-CD1 3.41Å; G211-I213 VanDerWaalsContact C-N 3.25Å; G211-I213 PolarHBondContact O-N 2.86Å; G211-I213 VanDerWaalsContact O-N 3.17Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-L216 WeakPolarHBondContact O-CB 3.29Å; I213-L216 PolarHBondContact O-N 3Å; I213-F217 HydrophobicContact CG2-CD2 3.92Å; I213-F217 HydrophobicContact CG2-CE2 3.82Å; I213-F217 VanDerWaalsContact O-CD2 3.3Å; I213-F217 WeakPolarHBondContact O-CD2 3.13Å; I213-F217 PolarHBondContact O-N 2.94Å; I213-F217 VanDerWaalsContact O-N 3.11Å; I213-L245 HydrophobicContact CD1-CD1 3.93Å; I213-L245 HydrophobicContact CG1-CD1 4.07Å
214I72.3Confident66Low53 Ų5367 Ų6727%0.27237%0.368SS..Hα-helixtrans-66.2-41-179.7-60.5-178.4000110.2F196 P198 F209 G211 L216 F217 H218F196-I214 WeakPolarHBondContact O-CD1 3.28Å; P198-I214 HydrophobicContact CB-CD1 4.43Å; F209-I214 HydrophobicContact CB-CB 4.47Å; F209-I214 HydrophobicContact CB-CG2 4.1Å; F209-I214 HydrophobicContact CD1-CG2 3.79Å; F209-I214 HydrophobicContact CD2-CG2 4.23Å; F209-I214 HydrophobicContact CE1-CG2 4.28Å; F209-I214 HydrophobicContact CG-CG2 3.76Å; G211-I214 PolarHBondContact O-N 3.49Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 3.48Å; I214-F217 PolarHBondContact O-N 3.32Å; I214-H218 WeakPolarHBondContact O-CB 3.37Å; I214-H218 PolarHBondContact O-N 3.16Å
215A67.4Low66.5Low8 Ų868.3 Ų68.37%0.06636%0.358CS..Hα-helixtrans-61.1-40.4174.300000112F209 G211 I213 H218 L219F209-A215 HydrophobicContact CB-CB 4.02Å; F209-A215 WeakPolarHBondContact O-CB 3.32Å; G211-A215 WeakPolarHBondContact O-CB 3.28Å; G211-A215 PolarHBondContact O-N 3.23Å; I213-A215 VanDerWaalsContact C-N 3.34Å; A215-H218 PolarHBondContact O-N 3.34Å; A215-L219 VanDerWaalsContact O-CB 3.22Å; A215-L219 WeakPolarHBondContact O-CB 3.49Å; A215-L219 WeakPolarHBondContact O-CD1 3.37Å; A215-L219 VanDerWaalsContact O-CG 3.26Å; A215-L219 WeakPolarHBondContact O-CG 3.23Å; A215-L219 PolarHBondContact O-N 3.46Å
216L68.6Low66.7Low35 Ų3565.6 Ų65.618%0.18335%0.352CS..Hα-helixtrans-60.9-49.8175.9-177.1152.7000111.3A212 I213 I214 H218 L220 L242A212-L216 PolarHBondContact O-N 2.99Å; I213-L216 WeakPolarHBondContact O-CB 3.29Å; I213-L216 PolarHBondContact O-N 3Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 3.48Å; L216-H218 VanDerWaalsContact C-N 3.34Å; L216-H218 PolarHBondContact O-N 3.23Å; L216-L220 HydrophobicContact CD2-CD2 4.46Å; L216-L220 WeakPolarHBondContact O-CB 3.27Å; L216-L220 PolarHBondContact O-N 3.14Å; L216-L242 HydrophobicContact CD1-CD1 3.92Å; L216-L242 HydrophobicContact CD1-CD2 3.42Å; L216-L242 VanDerWaalsContact CD1-CD2 3.42Å; L216-L242 HydrophobicContact CD1-CG 4.14Å
217F73.3Confident67Low140 Ų14070.1 Ų70.161%0.61437%0.372SS*.Hα-helixtrans-63.8-40.3178.8-81.7-72.2000112I213 I214 A221I213-F217 HydrophobicContact CG2-CD2 3.92Å; I213-F217 HydrophobicContact CG2-CE2 3.82Å; I213-F217 VanDerWaalsContact O-CD2 3.3Å; I213-F217 WeakPolarHBondContact O-CD2 3.13Å; I213-F217 PolarHBondContact O-N 2.94Å; I213-F217 VanDerWaalsContact O-N 3.11Å; I214-F217 PolarHBondContact O-N 3.32Å; F217-A221 WeakPolarHBondContact O-CB 3.17Å; F217-A221 PolarHBondContact O-N 3.03Å; F217-A221 VanDerWaalsContact O-N 3.07Å
218H69.3Low66.9Low63 Ų6375 Ų7529%0.29238%0.382SS..Hα-helixtrans-65.5-52.1177.1-173.471.2000111.8F209 I214 A215 L216 L220 A221 T222F209-H218 HydrophobicContact CD2-CB 3.64Å; F209-H218 AromaticContact CD2-CD2 3.86Å; F209-H218 AromaticContact CD2-CG 3.66Å; F209-H218 HydrophobicContact CE2-CB 3.76Å; F209-H218 AromaticContact CE2-CD2 3.73Å; F209-H218 AromaticContact CE2-CE1 3.95Å; F209-H218 AromaticContact CE2-CG 3.4Å; F209-H218 VanDerWaalsContact CE2-CG 3.4Å; F209-H218 AromaticContact CE2-ND1 3.57Å; I214-H218 WeakPolarHBondContact O-CB 3.37Å; I214-H218 PolarHBondContact O-N 3.16Å; A215-H218 PolarHBondContact O-N 3.34Å; L216-H218 VanDerWaalsContact C-N 3.34Å; L216-H218 PolarHBondContact O-N 3.23Å; H218-L220 VanDerWaalsContact C-N 3.3Å; H218-L220 PolarHBondContact O-N 3.14Å; H218-A221 PolarHBondContact O-N 2.89Å; H218-A221 VanDerWaalsContact O-N 3.12Å; H218-T222 PolarHBondContact O-N 3.31Å; H218-T222 PolarHBondContact O-OG1 3.37Å
219L65.6Low66.6Low19 Ų1973.8 Ų73.810%0.09938%0.377CS..Hα-helixtrans-62-36.8-179.6-74.8163.7000112.2A215 A221 R223 A233A215-L219 VanDerWaalsContact O-CB 3.22Å; A215-L219 WeakPolarHBondContact O-CB 3.49Å; A215-L219 WeakPolarHBondContact O-CD1 3.37Å; A215-L219 VanDerWaalsContact O-CG 3.26Å; A215-L219 WeakPolarHBondContact O-CG 3.23Å; A215-L219 PolarHBondContact O-N 3.46Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-R223 WeakPolarHBondContact O-CB 3.22Å; L219-R223 PolarHBondContact O-N 3.21Å; L219-A233 HydrophobicContact CD1-CB 4.12Å
220L67.4Low66.3Low76 Ų7675.8 Ų75.840%0.39839%0.389SS..Hα-helixtrans-72.2-28.3177.2-169.664.5000112.6L216 H218L216-L220 HydrophobicContact CD2-CD2 4.46Å; L216-L220 WeakPolarHBondContact O-CB 3.27Å; L216-L220 PolarHBondContact O-N 3.14Å; H218-L220 VanDerWaalsContact C-N 3.3Å; H218-L220 PolarHBondContact O-N 3.14Å
221A71.4Confident66.1Low87 Ų8782.1 Ų82.172%0.71941%0.411SS*.Hα-helixtrans-86.5-36.1179.600000113.6F217 H218 L219F217-A221 WeakPolarHBondContact O-CB 3.17Å; F217-A221 PolarHBondContact O-N 3.03Å; F217-A221 VanDerWaalsContact O-N 3.07Å; H218-A221 PolarHBondContact O-N 2.89Å; H218-A221 VanDerWaalsContact O-N 3.12Å; L219-A221 VanDerWaalsContact C-N 3.34Å
222T69.7Low65.7Low91 Ų9185.1 Ų85.156%0.55843%0.425SS*.Hα-helixtrans-93.3-22.3-175.5450000115H218H218-T222 PolarHBondContact O-N 3.31Å; H218-T222 PolarHBondContact O-OG1 3.37Å
223R61.9Low65.2Low137 Ų13785.5 Ų85.552%0.51743%0.428SS..  trans-96.9133.9-179.9-70.1-85.4-171168.5-0.7112L219 A229L219-R223 WeakPolarHBondContact O-CB 3.22Å; L219-R223 PolarHBondContact O-N 3.21Å; R223-A229 HydrophobicContact CB-CB 3.98Å; R223-A229 HydrophobicContact CG-CB 4.42Å
224T55.1Low64.5Low135 Ų13586 Ų8683%0.82843%0.429SS*.SBendtrans-71.6-31.8175.144.60000113.1K226T224-K226 PolarHBondContact O-N 3.49Å
225D62.6Low63.9Low103 Ų10391.1 Ų91.155%0.55145%0.446SS*.  trans-86.883.5178.1-72.8-34.8000112.5V227 R228 A229D225-V227 VanDerWaalsContact C-N 3.29Å; D225-V227 PolarHBondContact O-N 2.94Å; D225-R228 HydrophobicContact CB-CB 4.14Å; D225-R228 PolarHBondContact O-N 3.41Å; D225-A229 WeakPolarHBondContact O-CB 3.45Å; D225-A229 PolarHBondContact O-N 3.12Å
226K60.8Low63.6Low144 Ų14492.1 Ų92.163%0.62645%0.448SS*.Hα-helixtrans-56-36.8-176.5-64.1-179.8-179.4179.90113.9T224 L230T224-K226 PolarHBondContact O-N 3.49Å; K226-L230 WeakPolarHBondContact O-CB 3.14Å; K226-L230 PolarHBondContact O-N 2.94Å
227V64.6Low62.9Low127 Ų12799.5 Ų99.577%0.7748%0.482SS*.Hα-helixtrans-74.8-36.9-176.5-174.90000112D225 R231D225-V227 VanDerWaalsContact C-N 3.29Å; D225-V227 PolarHBondContact O-N 2.94Å; V227-R231 PolarHBondContact O-N 3.07Å; V227-R231 VanDerWaalsContact O-N 3.11Å
228R61Low62.1Low183 Ų18398.9 Ų98.969%0.69149%0.485SS*.Hα-helixtrans-75.7-40.5178.6-160.8171.8-175.5171.21.4110.9D225 L230 R231 E232D225-R228 HydrophobicContact CB-CB 4.14Å; D225-R228 PolarHBondContact O-N 3.41Å; R228-L230 VanDerWaalsContact C-N 3.34Å; R228-L230 PolarHBondContact O-N 3.06Å; R228-R231 PolarHBondContact O-N 3.12Å; R228-E232 VanDerWaalsContact O-CB 3.31Å; R228-E232 WeakPolarHBondContact O-CB 3.47Å; R228-E232 PolarHBondContact O-N 3.36Å
229A58.1Low61.6Low5 Ų597.1 Ų97.14%0.04148%0.477CS..Hα-helixtrans-62.1-39172.900000112.3R223 D225 A233R223-A229 HydrophobicContact CB-CB 3.98Å; R223-A229 HydrophobicContact CG-CB 4.42Å; D225-A229 WeakPolarHBondContact O-CB 3.45Å; D225-A229 PolarHBondContact O-N 3.12Å; A229-A233 VanDerWaalsContact O-CB 3.24Å; A229-A233 WeakPolarHBondContact O-CB 3.19Å; A229-A233 PolarHBondContact O-N 3.28Å
230L60.8Low61.3Low86 Ų8697.5 Ų97.545%0.4548%0.481SS..Hα-helixtrans-65.2-48.2174.8-147.4104.9000110.8K226 R228 E232 A233 F234K226-L230 WeakPolarHBondContact O-CB 3.14Å; K226-L230 PolarHBondContact O-N 2.94Å; R228-L230 VanDerWaalsContact C-N 3.34Å; R228-L230 PolarHBondContact O-N 3.06Å; L230-E232 VanDerWaalsContact C-N 3.29Å; L230-E232 PolarHBondContact O-N 3.17Å; L230-A233 PolarHBondContact O-N 3.37Å; L230-F234 HydrophobicContact CD1-CE2 4.49Å; L230-F234 HydrophobicContact CD2-CD2 3.93Å; L230-F234 HydrophobicContact CD2-CE2 3.69Å; L230-F234 HydrophobicContact CG-CD2 3.86Å; L230-F234 HydrophobicContact CG-CE2 3.77Å; L230-F234 WeakPolarHBondContact O-CB 3.46Å; L230-F234 VanDerWaalsContact O-CD2 3.26Å; L230-F234 WeakPolarHBondContact O-CD2 3.46Å; L230-F234 PolarHBondContact O-N 2.86Å
231R62.2Low61.4Low188 Ų18894.7 Ų94.771%0.70947%0.466SS*.Hα-helixtrans-61.6-38179.4-168176.6-177.2-176.70.4112.4V227 R228 F234 Y235V227-R231 PolarHBondContact O-N 3.07Å; V227-R231 VanDerWaalsContact O-N 3.11Å; R228-R231 PolarHBondContact O-N 3.12Å; R231-F234 PolarHBondContact O-N 2.93Å; R231-Y235 HydrophobicContact CG-CD2 4.18Å; R231-Y235 WeakPolarHBondContact O-CB 3.35Å; R231-Y235 PolarHBondContact O-N 3.47Å
232E62.9Low61.4Low63 Ų6392 Ų9229%0.29444%0.44SS..Hα-helixtrans-73.2-33.3177.9-164.4163.8-157.900112.4R228 L230R228-E232 VanDerWaalsContact O-CB 3.31Å; R228-E232 WeakPolarHBondContact O-CB 3.47Å; R228-E232 PolarHBondContact O-N 3.36Å; L230-E232 VanDerWaalsContact C-N 3.29Å; L230-E232 PolarHBondContact O-N 3.17Å
233A58.8Low61.6Low14 Ų1491.8 Ų91.812%0.11643%0.433CS..Hα-helixtrans-73.7-26.4172.700000113.7L219 A229 L230L219-A233 HydrophobicContact CD1-CB 4.12Å; A229-A233 VanDerWaalsContact O-CB 3.24Å; A229-A233 WeakPolarHBondContact O-CB 3.19Å; A229-A233 PolarHBondContact O-N 3.28Å; L230-A233 PolarHBondContact O-N 3.37Å
234F60.2Low62.3Low50 Ų5087.1 Ų87.122%0.21942%0.419CS..Hα-helixtrans-87.7-31.1178.3-89.7-85.5000113.8L230 R231 L242 M243 I246L230-F234 HydrophobicContact CD1-CE2 4.49Å; L230-F234 HydrophobicContact CD2-CD2 3.93Å; L230-F234 HydrophobicContact CD2-CE2 3.69Å; L230-F234 HydrophobicContact CG-CD2 3.86Å; L230-F234 HydrophobicContact CG-CE2 3.77Å; L230-F234 WeakPolarHBondContact O-CB 3.46Å; L230-F234 VanDerWaalsContact O-CD2 3.26Å; L230-F234 WeakPolarHBondContact O-CD2 3.46Å; L230-F234 PolarHBondContact O-N 2.86Å; R231-F234 PolarHBondContact O-N 2.93Å; F234-L242 HydrophobicContact CD1-CB 4.34Å; F234-L242 HydrophobicContact CD1-CD2 4.4Å; F234-L242 HydrophobicContact CE1-CB 4.29Å; F234-L242 HydrophobicContact CE1-CD2 3.62Å; F234-L242 HydrophobicContact CE1-CG 4.35Å; F234-L242 HydrophobicContact CE2-CD2 3.95Å; F234-L242 HydrophobicContact CZ-CD2 3.36Å; F234-M243 WeakPolarHBondContact O-CB 3.38Å; F234-I246 HydrophobicContact CE1-CD1 4.05Å
235Y60Low63.6Low159 Ų15982.5 Ų82.562%0.62439%0.389SS*.SBendtrans-122.835.5-170.7-70-81.3000114.8R231R231-Y235 HydrophobicContact CG-CD2 4.18Å; R231-Y235 WeakPolarHBondContact O-CB 3.35Å; R231-Y235 PolarHBondContact O-N 3.47Å
236R61.5Low64.6Low30 Ų3081.7 Ų81.711%0.11338%0.384CS..  trans-74.8126.8178.8-145.1169.2-172.8166.743.9111.1E208 N241E208-R236 IonicContact OE1-CZ 3Å; E208-R236 IonicContact OE1-NE 3.33Å; E208-R236 IonicContact OE1-NH2 2.71Å; E208-R236 PolarHBondContact OE1-NH2 3.47Å; E208-R236 IonicContact OE2-CZ 2.76Å; E208-R236 IonicContact OE2-NE 2.79Å; E208-R236 PolarHBondContact OE2-NE 3.34Å; E208-R236 IonicContact OE2-NH1 2.73Å; E208-R236 IonicContact OE2-NH2 3.52Å; E208-R236 PolarHBondContact OE2-NH2 3.11Å; R236-N241 VanDerWaalsContact CA-OD1 3.3Å; R236-N241 WeakPolarHBondContact CA-OD1 3.25Å; R236-N241 WeakPolarHBondContact CB-OD1 3.4Å; R236-N241 PolarHBondContact N-ND2 3.41Å; R236-N241 PolarHBondContact N-OD1 2.9Å; R236-N241 VanDerWaalsContact O-CG 3.27Å; R236-N241 PolarHBondContact O-ND2 2.83Å; R236-N241 PolarHBondContact O-OD1 3.17Å
237Q54.8Low65.6Low189 Ų18975.3 Ų75.388%0.88336%0.358SS*.SBendtrans-78.8-26.8-177.7-73.6179.1-26.700113.5
238N54.7Low66.5Low128 Ų12869.9 Ų69.968%0.68433%0.325SS*.SBendtrans-102.2-8.7-168.4-67.5-3.1000115
239L60.3Low67.7Low25 Ų2565.4 Ų65.413%0.13132%0.318CS..SBendtrans-138157.9-173-75161.8000111.1E208 E210 N241E208-L239 HydrophobicContact CB-CD1 4.21Å; E210-L239 HydrophobicContact CG-CD2 4.22Å; L239-N241 PolarHBondContact O-N 3.25Å; L239-N241 VanDerWaalsContact O-N 3.15Å; L239-N241 PolarHBondContact O-OD1 3.11Å
240P59.1Low69.1Low28 Ų2871 Ų7118%0.18234%0.341CS..  trans-54.2118.6177.2-23.633.1000112.1K194 A212 I441K194-P240 HydrophobicContact CB-CG 4.35Å; A212-P240 HydrophobicContact CB-CB 4.43Å; A212-P240 WeakPolarHBondContact CB-O 3.45Å; P240-I441 HydrophobicContact CB-CD1 4.4Å
241N68Low70.3Confident16 Ų1666.9 Ų66.99%0.08632%0.32CS..  trans-89.4157.6179.5-71.1-33.9000112.8R236 L239 M243 N244 L245R236-N241 VanDerWaalsContact CA-OD1 3.3Å; R236-N241 WeakPolarHBondContact CA-OD1 3.25Å; R236-N241 WeakPolarHBondContact CB-OD1 3.4Å; R236-N241 PolarHBondContact N-ND2 3.41Å; R236-N241 PolarHBondContact N-OD1 2.9Å; R236-N241 VanDerWaalsContact O-CG 3.27Å; R236-N241 PolarHBondContact O-ND2 2.83Å; R236-N241 PolarHBondContact O-OD1 3.17Å; L239-N241 PolarHBondContact O-N 3.25Å; L239-N241 VanDerWaalsContact O-N 3.15Å; L239-N241 PolarHBondContact O-OD1 3.11Å; N241-M243 HydrophobicContact CB-CB 4.23Å; N241-M243 PolarHBondContact O-N 3.3Å; N241-N244 HydrophobicContact CB-CB 4.41Å; N241-N244 WeakPolarHBondContact O-CB 3.5Å; N241-N244 PolarHBondContact O-N 3.31Å; N241-N244 VanDerWaalsContact O-N 3.14Å; N241-L245 PolarHBondContact O-N 3.45Å; N241-L245 VanDerWaalsContact O-N 3.14Å
242L71.9Confident71.5Confident30 Ų3062 Ų6216%0.15730%0.304CS..Hα-helixtrans-60.7-33.1165.3-160.576.9000111.7L216 F234 N244 L245 I246L216-L242 HydrophobicContact CD1-CD1 3.92Å; L216-L242 HydrophobicContact CD1-CD2 3.42Å; L216-L242 VanDerWaalsContact CD1-CD2 3.42Å; L216-L242 HydrophobicContact CD1-CG 4.14Å; F234-L242 HydrophobicContact CD1-CB 4.34Å; F234-L242 HydrophobicContact CD1-CD2 4.4Å; F234-L242 HydrophobicContact CE1-CB 4.29Å; F234-L242 HydrophobicContact CE1-CD2 3.62Å; F234-L242 HydrophobicContact CE1-CG 4.35Å; F234-L242 HydrophobicContact CE2-CD2 3.95Å; F234-L242 HydrophobicContact CZ-CD2 3.36Å; L242-N244 VanDerWaalsContact C-N 3.31Å; L242-N244 PolarHBondContact O-N 3.45Å; L242-L245 PolarHBondContact O-N 3.37Å; L242-I246 HydrophobicContact CD2-CD1 4.34Å; L242-I246 HydrophobicContact CG-CD1 4.3Å; L242-I246 WeakPolarHBondContact O-CG1 3.1Å; L242-I246 PolarHBondContact O-N 3.2Å
243M75.1Confident72.6Confident87 Ų8761.6 Ų61.643%0.42931%0.312SS..Hα-helixtrans-60.7-41.7174.5-169.961.3156.700111.7F234 N241 L245 I246 A247F234-M243 WeakPolarHBondContact O-CB 3.38Å; N241-M243 HydrophobicContact CB-CB 4.23Å; N241-M243 PolarHBondContact O-N 3.3Å; M243-L245 VanDerWaalsContact C-N 3.32Å; M243-L245 PolarHBondContact O-N 3.08Å; M243-I246 PolarHBondContact O-N 3.09Å; M243-A247 VanDerWaalsContact O-CB 3.3Å; M243-A247 WeakPolarHBondContact O-CB 3.33Å; M243-A247 PolarHBondContact O-N 3.19Å
244N76.6Confident74Confident40 Ų4062.4 Ų62.421%0.21432%0.315CS..Hα-helixtrans-67.5-35.6178.2-62.113.4000110.9N241 L242 A247 T248 G439 I441N241-N244 HydrophobicContact CB-CB 4.41Å; N241-N244 WeakPolarHBondContact O-CB 3.5Å; N241-N244 PolarHBondContact O-N 3.31Å; N241-N244 VanDerWaalsContact O-N 3.14Å; L242-N244 VanDerWaalsContact C-N 3.31Å; L242-N244 PolarHBondContact O-N 3.45Å; N244-A247 PolarHBondContact O-N 2.94Å; N244-T248 PolarHBondContact O-N 2.92Å; N244-T248 PolarHBondContact O-OG1 3.15Å; N244-G439 VanDerWaalsContact CB-O 3.23Å; N244-G439 WeakPolarHBondContact CB-O 3.47Å; N244-G439 PolarHBondContact ND2-O 3.25Å; N244-I441 HydrophobicContact CB-CD1 4.14Å; N244-I441 HydrophobicContact CB-CG1 3.65Å
245L81.4Confident75.2Confident38 Ų3860 Ų6020%0.19931%0.305CS..Hα-helixtrans-67.5-44.3175.1-168.8149.3000111.6A195 I213 N241 L242 M243 A247 T248 V249 I441A195-L245 HydrophobicContact CB-CD1 3.73Å; I213-L245 HydrophobicContact CD1-CD1 3.93Å; I213-L245 HydrophobicContact CG1-CD1 4.07Å; N241-L245 PolarHBondContact O-N 3.45Å; N241-L245 VanDerWaalsContact O-N 3.14Å; L242-L245 PolarHBondContact O-N 3.37Å; M243-L245 VanDerWaalsContact C-N 3.32Å; M243-L245 PolarHBondContact O-N 3.08Å; L245-A247 VanDerWaalsContact C-N 3.33Å; L245-T248 WeakPolarHBondContact O-CB 3.41Å; L245-T248 PolarHBondContact O-N 3.16Å; L245-V249 HydrophobicContact CD2-CG2 4.35Å; L245-V249 WeakPolarHBondContact O-CG2 3.38Å; L245-V249 PolarHBondContact O-N 3.33Å; L245-I441 HydrophobicContact CB-CD1 3.9Å
246I83.4Confident76.5Confident85 Ų8555.6 Ų55.644%0.43629%0.291SS..Hα-helixtrans-62.9-42.2174.9-67.1165.9000110.3F234 L242 M243 T248 V249 F250F234-I246 HydrophobicContact CE1-CD1 4.05Å; L242-I246 HydrophobicContact CD2-CD1 4.34Å; L242-I246 HydrophobicContact CG-CD1 4.3Å; L242-I246 WeakPolarHBondContact O-CG1 3.1Å; L242-I246 PolarHBondContact O-N 3.2Å; M243-I246 PolarHBondContact O-N 3.09Å; I246-T248 VanDerWaalsContact C-N 3.34Å; I246-T248 PolarHBondContact O-N 2.77Å; I246-V249 PolarHBondContact O-N 2.9Å; I246-F250 WeakPolarHBondContact O-CB 3.42Å; I246-F250 PolarHBondContact O-N 3.33Å
247A82.2Confident77.7Confident11 Ų1161.7 Ų61.79%0.09132%0.315CS..Hα-helixtrans-58.8-44.2173.500000111.7M243 N244 L245 V249 F250 V251 L438M243-A247 VanDerWaalsContact O-CB 3.3Å; M243-A247 WeakPolarHBondContact O-CB 3.33Å; M243-A247 PolarHBondContact O-N 3.19Å; N244-A247 PolarHBondContact O-N 2.94Å; L245-A247 VanDerWaalsContact C-N 3.33Å; A247-V249 PolarHBondContact O-N 3.25Å; A247-F250 PolarHBondContact O-N 3Å; A247-V251 WeakPolarHBondContact O-CB 3.5Å; A247-V251 VanDerWaalsContact O-CG2 3.3Å; A247-V251 WeakPolarHBondContact O-CG2 3.44Å; A247-V251 PolarHBondContact O-N 2.91Å; A247-L438 HydrophobicContact CB-CB 3.98Å
248T84.2Confident79.1Confident13 Ų1355.8 Ų55.88%0.0829%0.287CS..Hα-helixtrans-59.4-45.1174.6-64.10000111.8N244 L245 I246 F250 V251 F252 I441 I447N244-T248 PolarHBondContact O-N 2.92Å; N244-T248 PolarHBondContact O-OG1 3.15Å; L245-T248 WeakPolarHBondContact O-CB 3.41Å; L245-T248 PolarHBondContact O-N 3.16Å; I246-T248 VanDerWaalsContact C-N 3.34Å; I246-T248 PolarHBondContact O-N 2.77Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact O-N 3.44Å; T248-V251 PolarHBondContact O-N 3.28Å; T248-F252 VanDerWaalsContact O-CB 3.24Å; T248-F252 WeakPolarHBondContact O-CB 3.3Å; T248-F252 PolarHBondContact O-N 2.98Å; T248-I441 PolarHBondContact OG1-N 3.31Å; T248-I447 HydrophobicContact CG2-CD1 3.97Å; T248-I447 HydrophobicContact CG2-CG1 4.43Å
249V86.7Confident80.4Confident89 Ų8950.1 Ų50.154%0.53926%0.256SS..Hα-helixtrans-64.1-40.7177.31740000111.4L245 I246 A247 F252 A253L245-V249 HydrophobicContact CD2-CG2 4.35Å; L245-V249 WeakPolarHBondContact O-CG2 3.38Å; L245-V249 PolarHBondContact O-N 3.33Å; I246-V249 PolarHBondContact O-N 2.9Å; A247-V249 PolarHBondContact O-N 3.25Å; V249-F252 WeakPolarHBondContact O-CB 3.48Å; V249-F252 PolarHBondContact O-N 3.23Å; V249-A253 PolarHBondContact O-N 3.41Å
250F87.2Confident81.3Confident121 Ų12150.9 Ų50.953%0.53127%0.27SS..Hα-helixtrans-62.9-49.7176.7177.5-102.6000111.6I246 A247 T248 F252 A253 V254 L438I246-F250 WeakPolarHBondContact O-CB 3.42Å; I246-F250 PolarHBondContact O-N 3.33Å; A247-F250 PolarHBondContact O-N 3Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact O-N 3.44Å; F250-F252 VanDerWaalsContact C-N 3.31Å; F250-F252 PolarHBondContact O-N 2.95Å; F250-A253 PolarHBondContact O-N 2.8Å; F250-V254 HydrophobicContact CD1-CG2 4.42Å; F250-V254 HydrophobicContact CE1-CG2 4.04Å; F250-V254 HydrophobicContact CE2-CG2 4.2Å; F250-V254 HydrophobicContact CZ-CG2 3.92Å; F250-V254 WeakPolarHBondContact O-CG2 3.26Å; F250-V254 PolarHBondContact O-N 3.3Å; F250-L438 HydrophobicContact CD1-CD1 4.32Å
251V85.9Confident82.6Confident0 Ų054 Ų540%028%0.281CS..Hα-helixtrans-57.9-45.7175170.60000110.3A247 T248 A253 V254 V255 A435 L438 I447A247-V251 WeakPolarHBondContact O-CB 3.5Å; A247-V251 VanDerWaalsContact O-CG2 3.3Å; A247-V251 WeakPolarHBondContact O-CG2 3.44Å; A247-V251 PolarHBondContact O-N 2.91Å; T248-V251 PolarHBondContact O-N 3.28Å; V251-A253 VanDerWaalsContact C-N 3.34Å; V251-A253 PolarHBondContact O-N 3.48Å; V251-V254 PolarHBondContact O-N 3.19Å; V251-V255 HydrophobicContact CG1-CG2 4.16Å; V251-V255 VanDerWaalsContact O-CG2 3.25Å; V251-V255 WeakPolarHBondContact O-CG2 3.44Å; V251-V255 PolarHBondContact O-N 3.39Å; V251-A435 HydrophobicContact CB-CB 4.48Å; V251-A435 HydrophobicContact CG1-CB 3.78Å; V251-A435 HydrophobicContact CG2-CB 3.94Å; V251-L438 HydrophobicContact CG2-CD1 3.95Å; V251-I447 HydrophobicContact CG1-CG2 4.46Å
252F86.1Confident83.3Confident85 Ų8561 Ų6137%0.37331%0.306SS..Hα-helixtrans-56-46.8178.3-174-89.6000112.1T248 V249 F250 V255 I256 V451T248-F252 VanDerWaalsContact O-CB 3.24Å; T248-F252 WeakPolarHBondContact O-CB 3.3Å; T248-F252 PolarHBondContact O-N 2.98Å; V249-F252 WeakPolarHBondContact O-CB 3.48Å; V249-F252 PolarHBondContact O-N 3.23Å; F250-F252 VanDerWaalsContact C-N 3.31Å; F250-F252 PolarHBondContact O-N 2.95Å; F252-V255 PolarHBondContact O-N 3.44Å; F252-I256 HydrophobicContact CD1-CD1 3.62Å; F252-I256 HydrophobicContact CE1-CD1 3.19Å; F252-I256 HydrophobicContact CE1-CG1 4.33Å; F252-I256 HydrophobicContact CZ-CD1 3.78Å; F252-I256 WeakPolarHBondContact O-CG1 3.42Å; F252-I256 PolarHBondContact O-N 2.82Å; F252-I256 VanDerWaalsContact O-N 3.12Å; F252-V451 HydrophobicContact CD2-CB 4.35Å; F252-V451 HydrophobicContact CD2-CG1 4.42Å; F252-V451 HydrophobicContact CD2-CG2 3.18Å; F252-V451 HydrophobicContact CE2-CB 4.24Å; F252-V451 HydrophobicContact CE2-CG1 4.23Å; F252-V451 HydrophobicContact CE2-CG2 3.44Å; F252-V451 VanDerWaalsContact CE2-CG2 3.44Å; F252-V451 HydrophobicContact CG-CG2 4.09Å
253A87.6Confident83.9Confident56 Ų5663 Ų6346%0.46332%0.319SS..Hα-helixtrans-63.9-42.4177.500000112.5V249 F250 V251 I256 Y257V249-A253 PolarHBondContact O-N 3.41Å; F250-A253 PolarHBondContact O-N 2.8Å; V251-A253 VanDerWaalsContact C-N 3.34Å; V251-A253 PolarHBondContact O-N 3.48Å; A253-I256 PolarHBondContact O-N 3.14Å; A253-Y257 PolarHBondContact O-N 3.36Å; A253-Y257 VanDerWaalsContact O-N 3.08Å
254V88Confident84.4Confident30 Ų3062 Ų6218%0.18232%0.316CS..Hα-helixtrans-63.2-44.4177.91730000110.9F250 V251 I256 Y257 F258 L431 M434F250-V254 HydrophobicContact CD1-CG2 4.42Å; F250-V254 HydrophobicContact CE1-CG2 4.04Å; F250-V254 HydrophobicContact CE2-CG2 4.2Å; F250-V254 HydrophobicContact CZ-CG2 3.92Å; F250-V254 WeakPolarHBondContact O-CG2 3.26Å; F250-V254 PolarHBondContact O-N 3.3Å; V251-V254 PolarHBondContact O-N 3.19Å; V254-I256 PolarHBondContact O-N 3.01Å; V254-Y257 WeakPolarHBondContact O-CB 3.21Å; V254-Y257 PolarHBondContact O-N 3.31Å; V254-F258 HydrophobicContact CG1-CD2 3.62Å; V254-F258 HydrophobicContact CG1-CE2 3.54Å; V254-F258 VanDerWaalsContact O-CD2 3.25Å; V254-F258 WeakPolarHBondContact O-CD2 3.29Å; V254-F258 PolarHBondContact O-N 3.18Å; V254-L431 HydrophobicContact CG1-CD2 3.73Å; V254-M434 HydrophobicContact CG1-CE 4.32Å
255V85.5Confident84.7Confident0 Ų060.6 Ų60.60%031%0.308CS..Hα-helixtrans-61.5-45.5178.7175.30000111.2V251 F252 Y257 F258 Q259 L431 L448 V451V251-V255 HydrophobicContact CG1-CG2 4.16Å; V251-V255 VanDerWaalsContact O-CG2 3.25Å; V251-V255 WeakPolarHBondContact O-CG2 3.44Å; V251-V255 PolarHBondContact O-N 3.39Å; F252-V255 PolarHBondContact O-N 3.44Å; V255-Y257 VanDerWaalsContact C-N 3.28Å; V255-Y257 PolarHBondContact O-N 2.96Å; V255-F258 PolarHBondContact O-N 3.39Å; V255-Q259 WeakPolarHBondContact O-CB 3.31Å; V255-Q259 PolarHBondContact O-N 3.38Å; V255-L431 HydrophobicContact CG2-CD1 4.34Å; V255-L448 HydrophobicContact CB-CD2 4.31Å; V255-L448 HydrophobicContact CG1-CD2 3.84Å; V255-L448 HydrophobicContact CG2-CD2 3.39Å; V255-L448 HydrophobicContact CG2-CG 4.18Å; V255-V451 HydrophobicContact CB-CG1 4.1Å; V255-V451 HydrophobicContact CG1-CB 3.89Å; V255-V451 HydrophobicContact CG1-CG1 3.6Å; V255-V451 HydrophobicContact CG1-CG2 4.46Å
256I86.1Confident84.7Confident67 Ų6761.9 Ų61.934%0.34432%0.319SS..Hα-helixtrans-58.6-42.3176.4-69.7172.6000111.1F252 A253 V254 Q259 G260 V451F252-I256 HydrophobicContact CD1-CD1 3.62Å; F252-I256 HydrophobicContact CE1-CD1 3.19Å; F252-I256 HydrophobicContact CE1-CG1 4.33Å; F252-I256 HydrophobicContact CZ-CD1 3.78Å; F252-I256 WeakPolarHBondContact O-CG1 3.42Å; F252-I256 PolarHBondContact O-N 2.82Å; F252-I256 VanDerWaalsContact O-N 3.12Å; A253-I256 PolarHBondContact O-N 3.14Å; V254-I256 PolarHBondContact O-N 3.01Å; I256-Q259 WeakPolarHBondContact O-CB 3.28Å; I256-Q259 PolarHBondContact O-N 3.06Å; I256-G260 PolarHBondContact O-N 2.85Å; I256-V451 HydrophobicContact CD1-CG1 4.47Å; I256-V451 HydrophobicContact CG1-CG1 3.69Å
257Y87Confident84.6Confident157 Ų15758.3 Ų58.362%0.61630%0.301SS*.Hα-helixtrans-61-46.9177.5179.9-103.3000111.9A253 V254 V255 Q259 G260 F261A253-Y257 PolarHBondContact O-N 3.36Å; A253-Y257 VanDerWaalsContact O-N 3.08Å; V254-Y257 WeakPolarHBondContact O-CB 3.21Å; V254-Y257 PolarHBondContact O-N 3.31Å; V255-Y257 VanDerWaalsContact C-N 3.28Å; V255-Y257 PolarHBondContact O-N 2.96Å; Y257-Q259 VanDerWaalsContact C-N 3.31Å; Y257-Q259 PolarHBondContact O-N 3.46Å; Y257-G260 PolarHBondContact O-N 2.84Å; Y257-F261 AromaticContact CD1-CE2 3.9Å; Y257-F261 HydrophobicContact CD1-CE2 3.9Å; Y257-F261 AromaticContact CE1-CE2 3.55Å; Y257-F261 HydrophobicContact CE1-CE2 3.55Å; Y257-F261 AromaticContact CE1-CZ 3.81Å; Y257-F261 HydrophobicContact CE1-CZ 3.81Å; Y257-F261 AromaticContact CZ-CE2 3.96Å; Y257-F261 WeakPolarHBondContact O-CD2 3.44Å
258F84.4Confident84.6Confident66 Ų6662.2 Ų62.229%0.28932%0.316SS..Hα-helixtrans-66-32176.5-81.2-73.9000113.2V254 V255 G260 F261 L283 F284 L431V254-F258 HydrophobicContact CG1-CD2 3.62Å; V254-F258 HydrophobicContact CG1-CE2 3.54Å; V254-F258 VanDerWaalsContact O-CD2 3.25Å; V254-F258 WeakPolarHBondContact O-CD2 3.29Å; V254-F258 PolarHBondContact O-N 3.18Å; V255-F258 PolarHBondContact O-N 3.39Å; F258-G260 PolarHBondContact O-N 3.09Å; F258-F261 HydrophobicContact CD1-CD2 4.43Å; F258-F261 HydrophobicContact CD1-CE2 4.35Å; F258-F261 WeakPolarHBondContact O-CD2 3.42Å; F258-F261 PolarHBondContact O-N 3.17Å; F258-L283 HydrophobicContact CD1-CD2 4.44Å; F258-F284 HydrophobicContact CB-CE2 4.05Å; F258-F284 HydrophobicContact CB-CZ 3.87Å; F258-L431 HydrophobicContact CB-CD1 4.42Å; F258-L431 HydrophobicContact CD2-CD1 4.16Å; F258-L431 HydrophobicContact CD2-CD2 4.2Å; F258-L431 HydrophobicContact CE2-CD2 4.29Å; F258-L431 HydrophobicContact CG-CD1 4.41Å
259Q80.8Confident84.2Confident8 Ų862.5 Ų62.54%0.03732%0.318CS..Hα-helixtrans-64.8-26.3177.3-160.272.225.200112.7V255 I256 Y257 F261 F284 Y455V255-Q259 WeakPolarHBondContact O-CB 3.31Å; V255-Q259 PolarHBondContact O-N 3.38Å; I256-Q259 WeakPolarHBondContact O-CB 3.28Å; I256-Q259 PolarHBondContact O-N 3.06Å; Y257-Q259 VanDerWaalsContact C-N 3.31Å; Y257-Q259 PolarHBondContact O-N 3.46Å; Q259-F261 VanDerWaalsContact C-N 3.27Å; Q259-F261 PolarHBondContact O-N 3.43Å; Q259-F284 HydrophobicContact CB-CE2 4.32Å; Q259-F284 VanDerWaalsContact CD-CD2 3.47Å; Q259-F284 HydrophobicContact CG-CD2 4.48Å; Q259-Y455 HydrophobicContact CB-CD1 4.31Å; Q259-Y455 HydrophobicContact CB-CD2 4.42Å; Q259-Y455 HydrophobicContact CB-CE1 4.36Å; Q259-Y455 HydrophobicContact CB-CE2 4.47Å; Q259-Y455 HydrophobicContact CB-CG 4.32Å; Q259-Y455 HydrophobicContact CG-CD1 3.22Å; Q259-Y455 HydrophobicContact CG-CD2 4.05Å; Q259-Y455 HydrophobicContact CG-CE1 3.53Å; Q259-Y455 HydrophobicContact CG-CE2 4.31Å; Q259-Y455 HydrophobicContact CG-CG 3.5Å; Q259-Y455 VanDerWaalsContact CG-CG 3.5Å
260G80.8Confident83.5Confident41 Ų4161.2 Ų61.242%0.42332%0.316SS..THydrogen-bonded Turntrans-71.3-15.317700000114.7I256 Y257 F258 R262I256-G260 PolarHBondContact O-N 2.85Å; Y257-G260 PolarHBondContact O-N 2.84Å; F258-G260 PolarHBondContact O-N 3.09Å; G260-R262 PolarHBondContact O-N 3.01Å
261F85.8Confident83Confident93 Ų9364.5 Ų64.541%0.40833%0.325SS..  trans-71.4116.2-178.6-77.1-100.5000111.4Y257 F258 Q259 L283Y257-F261 AromaticContact CD1-CE2 3.9Å; Y257-F261 HydrophobicContact CD1-CE2 3.9Å; Y257-F261 AromaticContact CE1-CE2 3.55Å; Y257-F261 HydrophobicContact CE1-CE2 3.55Å; Y257-F261 AromaticContact CE1-CZ 3.81Å; Y257-F261 HydrophobicContact CE1-CZ 3.81Å; Y257-F261 AromaticContact CZ-CE2 3.96Å; Y257-F261 WeakPolarHBondContact O-CD2 3.44Å; F258-F261 HydrophobicContact CD1-CD2 4.43Å; F258-F261 HydrophobicContact CD1-CE2 4.35Å; F258-F261 WeakPolarHBondContact O-CD2 3.42Å; F258-F261 PolarHBondContact O-N 3.17Å; Q259-F261 VanDerWaalsContact C-N 3.27Å; Q259-F261 PolarHBondContact O-N 3.43Å; F261-L283 HydrophobicContact CB-CB 3.94Å; F261-L283 HydrophobicContact CB-CD2 4.1Å; F261-L283 PolarHBondContact O-N 3.41Å
262R83.9Confident82.4Confident164 Ų16470.9 Ų70.962%0.61935%0.351SS*.EExtended strand (participates in β ladder)trans-136.1145.7174.768.2-177.9-169-149.6-4.7111.4G260 D264 P280 K282G260-R262 PolarHBondContact O-N 3.01Å; R262-D264 IonicContact CZ-OD2 2.71Å; R262-D264 IonicContact NE-OD1 3.86Å; R262-D264 PolarHBondContact NE-OD1 3.12Å; R262-D264 IonicContact NE-OD2 3.73Å; R262-D264 PolarHBondContact NE-OD2 3.32Å; R262-D264 VanDerWaalsContact NE-OD2 3.08Å; R262-D264 IonicContact NH2-OD2 3.86Å; R262-P280 HydrophobicContact CB-CB 4.46Å; R262-K282 HydrophobicContact CB-CG 4.48Å
263V84.4Confident81.6Confident71 Ų7179.3 Ų79.343%0.4338%0.38SS..EExtended strand (participates in β ladder)trans-106.1108.7172.3179.50000107.4I281 Y416V263-I281 PolarHBondContact N-O 2.78Å; V263-I281 PolarHBondContact O-N 3.47Å; V263-Y416 HydrophobicContact CG1-CD1 4.36Å; V263-Y416 HydrophobicContact CG1-CE1 4.35Å
264D83.8Confident80.9Confident67 Ų6779.2 Ų79.236%0.35838%0.384SS..EExtended strand (participates in β ladder)trans-87.5113.3-177.6-69-35000110.3R262 P280R262-D264 IonicContact CZ-OD2 2.71Å; R262-D264 IonicContact NE-OD1 3.86Å; R262-D264 PolarHBondContact NE-OD1 3.12Å; R262-D264 IonicContact NE-OD2 3.73Å; R262-D264 PolarHBondContact NE-OD2 3.32Å; R262-D264 VanDerWaalsContact NE-OD2 3.08Å; R262-D264 IonicContact NH2-OD2 3.86Å; D264-P280 WeakPolarHBondContact OD1-CA 3.49Å; D264-P280 WeakPolarHBondContact OD1-CB 3.3Å
265L83.3Confident80.3Confident11 Ų1182 Ų826%0.05840%0.396CS..EExtended strand (participates in β ladder)trans-95.3124.9176.1-66.4174.1000110.3I267 Y279 I281 M401 L413 Y416L265-I267 PolarHBondContact O-N 2.88Å; L265-Y279 PolarHBondContact N-O 2.86Å; L265-Y279 PolarHBondContact O-N 3.23Å; L265-I281 HydrophobicContact CD1-CD1 3.38Å; L265-I281 HydrophobicContact CD1-CG1 4.05Å; L265-I281 HydrophobicContact CG-CD1 4.38Å; L265-M401 HydrophobicContact CB-CE 3.68Å; L265-M401 HydrophobicContact CD1-CE 3.61Å; L265-M401 HydrophobicContact CD2-CE 3.7Å; L265-M401 HydrophobicContact CG-CE 3.85Å; L265-L413 HydrophobicContact CD1-CD2 4.07Å; L265-Y416 HydrophobicContact CD1-CD2 4.32Å; L265-Y416 HydrophobicContact CD2-CD2 4.08Å; L265-Y416 HydrophobicContact CD2-CE2 3.9Å
266P81Confident79.7Confident65 Ų6590.5 Ų90.542%0.42243%0.429SS..EExtended strand (participates in β ladder)trans-76122.6-178.629.2-33.6000111.4R402P266-R402 PolarHBondContact O-N 3.33Å
267I82.8Confident79.3Confident10 Ų1090.7 Ų90.75%0.05143%0.43CS..EExtended strand (participates in β ladder)trans-119.3140.9177.3-48.5-166.8000109.7L265 N277 Y279 L394 M399 V400L265-I267 PolarHBondContact O-N 2.88Å; I267-N277 CarbonylContact C-O 3.5Å; I267-N277 WeakPolarHBondContact CA-O 3.49Å; I267-N277 PolarHBondContact N-O 3.43Å; I267-N277 PolarHBondContact O-N 3.47Å; I267-Y279 HydrophobicContact CD1-CD2 4.41Å; I267-Y279 HydrophobicContact CD1-CG 3.93Å; I267-L394 HydrophobicContact CD1-CD1 3.94Å; I267-L394 HydrophobicContact CD1-CD2 3.88Å; I267-M399 HydrophobicContact CB-CE 4.31Å; I267-M399 HydrophobicContact CG2-CB 3.74Å; I267-M399 HydrophobicContact CG2-CE 3.81Å; I267-V400 WeakPolarHBondContact CG2-O 3.47Å
268K81.1Confident79Confident93 Ų9387.7 Ų87.740%0.40443%0.428SS..EExtended strand (participates in β ladder)trans-111.9142.7173.253.5169.9-176.5174.50109.7V400K268-V400 HydrophobicContact CG-CB 4.47Å; K268-V400 WeakPolarHBondContact CG-O 3.47Å; K268-V400 PolarHBondContact N-O 3.39Å; K268-V400 PolarHBondContact O-N 3.41Å; K268-V400 VanDerWaalsContact O-O 3.13Å
269S76.6Confident78.8Confident18 Ų1888.1 Ų88.113%0.12643%0.429CS..EExtended strand (participates in β ladder)trans-70.6132.6165.5-173.70000109.3R271 Y272 Q275S269-R271 VanDerWaalsContact C-N 3.27Å; S269-R271 PolarHBondContact OG-N 3.47Å; S269-Y272 PolarHBondContact OG-N 3.24Å; S269-Q275 PolarHBondContact N-O 3.03Å
270A72.4Confident78.8Confident62 Ų6289.9 Ų89.951%0.51244%0.441SS..SBendtrans-73.3-25.4169.800000111.6Q398 V400A270-Q398 WeakPolarHBondContact CB-O 3.42Å; A270-Q398 PolarHBondContact N-O 3.2Å; A270-V400 HydrophobicContact CB-CG2 4.03Å
271R75.2Confident78.8Confident190 Ų19088 Ų8872%0.71742%0.421SS*.SBendtrans-82.8-41.1-176.2-169.9175.5-177.2176.21112.9S269S269-R271 VanDerWaalsContact C-N 3.27Å; S269-R271 PolarHBondContact OG-N 3.47Å
272Y74.3Confident78.5Confident135 Ų13586.2 Ų86.253%0.52941%0.413SS..SBendtrans-111.9111.5-179.6-65.5-76.3000110.8S269 G274 Q275S269-Y272 PolarHBondContact OG-N 3.24Å; Y272-G274 PolarHBondContact O-N 3.03Å; Y272-Q275 PolarHBondContact O-N 3.34Å
273R70.1Confident78.1Confident261 Ų26179.9 Ų79.999%0.98539%0.392SS*.THydrogen-bonded Turntrans-70.2124.5-179.7-162.9171.9-177.7165.4-0.9109.5
274G72.4Confident77.6Confident54 Ų5477 Ų7756%0.55737%0.373SS*.THydrogen-bonded Turntrans95.8-4.2178.200000115.5Y272 Y276Y272-G274 PolarHBondContact O-N 3.03Å; G274-Y276 VanDerWaalsContact O-CD2 3.23Å; G274-Y276 WeakPolarHBondContact O-CD2 3.43Å; G274-Y276 WeakPolarHBondContact O-CE2 3.31Å; G274-Y276 PolarHBondContact O-N 2.96Å
275Q75.2Confident76.5Confident90 Ų9075.6 Ų75.642%0.42136%0.363SS..  trans-82107.9172.5-169.6166.82.100110.3S269 Y272S269-Q275 PolarHBondContact N-O 3.03Å; Y272-Q275 PolarHBondContact O-N 3.34Å
276Y72.9Confident75.5Confident177 Ų17775.5 Ų75.569%0.69436%0.363SS*.EExtended strand (participates in β ladder)trans-100.5118.2175.4-61.5-77.7000109.3G274G274-Y276 VanDerWaalsContact O-CD2 3.23Å; G274-Y276 WeakPolarHBondContact O-CD2 3.43Å; G274-Y276 WeakPolarHBondContact O-CE2 3.31Å; G274-Y276 PolarHBondContact O-N 2.96Å
277N77.1Confident75Confident71 Ų7174.1 Ų74.138%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-120.3141.2172.3-70.6-13.5000108.7I267 M399I267-N277 CarbonylContact C-O 3.5Å; I267-N277 WeakPolarHBondContact CA-O 3.49Å; I267-N277 PolarHBondContact N-O 3.43Å; I267-N277 PolarHBondContact O-N 3.47Å; N277-M399 HydrophobicContact CB-CE 4.16Å
278T80.5Confident74.4Confident94 Ų9474 Ų7458%0.57735%0.354SS*.EExtended strand (participates in β ladder)trans-95.4133.2170.951.10000109.4P280T278-P280 VanDerWaalsContact O-CD 3.28Å; T278-P280 WeakPolarHBondContact O-CD 3.48Å
279Y80.7Confident73.9Confident76 Ų7672.2 Ų72.230%0.29835%0.349SS..EExtended strand (participates in β ladder)trans-98.9104.6171-173.2-94.6000109.1L265 I267 I281 V390L265-Y279 PolarHBondContact N-O 2.86Å; L265-Y279 PolarHBondContact O-N 3.23Å; I267-Y279 HydrophobicContact CD1-CD2 4.41Å; I267-Y279 HydrophobicContact CD1-CG 3.93Å; Y279-I281 HydrophobicContact CD1-CG1 4.03Å; Y279-I281 HydrophobicContact CE1-CG1 4.06Å; Y279-I281 PolarHBondContact O-N 3.23Å; Y279-V390 HydrophobicContact CE1-CG1 4.47Å
280P80.8Confident73.5Confident45 Ų4571.5 Ų71.529%0.29234%0.344SS..EExtended strand (participates in β ladder)trans-75.5117.7-179.828.5-33.4000110.8R262 D264 T278R262-P280 HydrophobicContact CB-CB 4.46Å; D264-P280 WeakPolarHBondContact OD1-CA 3.49Å; D264-P280 WeakPolarHBondContact OD1-CB 3.3Å; T278-P280 VanDerWaalsContact O-CD 3.28Å; T278-P280 WeakPolarHBondContact O-CD 3.48Å
281I79.7Confident73.6Confident2 Ų268.7 Ų68.71%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-91.7107.7163.4-59.6-175.3000107.4V263 L265 Y279 Y285 L413 I417 A420V263-I281 PolarHBondContact N-O 2.78Å; V263-I281 PolarHBondContact O-N 3.47Å; L265-I281 HydrophobicContact CD1-CD1 3.38Å; L265-I281 HydrophobicContact CD1-CG1 4.05Å; L265-I281 HydrophobicContact CG-CD1 4.38Å; Y279-I281 HydrophobicContact CD1-CG1 4.03Å; Y279-I281 HydrophobicContact CE1-CG1 4.06Å; Y279-I281 PolarHBondContact O-N 3.23Å; I281-Y285 HydrophobicContact CG2-CD2 3.75Å; I281-Y285 HydrophobicContact CG2-CE2 4.19Å; I281-L413 HydrophobicContact CD1-CD2 4.26Å; I281-I417 HydrophobicContact CD1-CG1 4Å; I281-A420 HydrophobicContact CG2-CB 4.15Å
282K79.7Confident73.7Confident55 Ų5561.2 Ų61.224%0.23929%0.294CS..EExtended strand (participates in β ladder)trans-72.9150.9176.6-61.1179.2-168170.50110.7R262 F284 Y285 E459R262-K282 HydrophobicContact CB-CG 4.48Å; K282-F284 VanDerWaalsContact C-N 3.25Å; K282-F284 PolarHBondContact O-N 2.98Å; K282-Y285 PolarHBondContact O-N 3.05Å; K282-E459 WeakPolarHBondContact CE-OE1 3.31Å; K282-E459 VanDerWaalsContact CE-OE2 3.27Å; K282-E459 WeakPolarHBondContact CE-OE2 3.35Å; K282-E459 IonicContact NZ-OE1 2.92Å; K282-E459 PolarHBondContact NZ-OE1 3.09Å; K282-E459 IonicContact NZ-OE2 3.46Å; K282-E459 PolarHBondContact NZ-OE2 3.32Å
283L76.1Confident73.8Confident31 Ų3156.5 Ų56.516%0.16228%0.278CS..SBendtrans-55.4-43.9172.6-167.770.7000111.2F258 F261 Y285 A420 F423 G424F258-L283 HydrophobicContact CD1-CD2 4.44Å; F261-L283 HydrophobicContact CB-CB 3.94Å; F261-L283 HydrophobicContact CB-CD2 4.1Å; F261-L283 PolarHBondContact O-N 3.41Å; L283-Y285 PolarHBondContact O-N 3.32Å; L283-A420 VanDerWaalsContact O-O 3.08Å; L283-F423 HydrophobicContact CD1-CD1 3.74Å; L283-F423 HydrophobicContact CD1-CE1 4.16Å; L283-G424 WeakPolarHBondContact O-CA 3.48Å
284F73.4Confident74.3Confident9 Ų944.3 Ų44.34%0.03923%0.232CC..SBendtrans-86.464.2173.9-56.1-51000111.4F258 Q259 K282 S287 C427 I428 L431F258-F284 HydrophobicContact CB-CE2 4.05Å; F258-F284 HydrophobicContact CB-CZ 3.87Å; Q259-F284 HydrophobicContact CB-CE2 4.32Å; Q259-F284 VanDerWaalsContact CD-CD2 3.47Å; Q259-F284 HydrophobicContact CG-CD2 4.48Å; K282-F284 VanDerWaalsContact C-N 3.25Å; K282-F284 PolarHBondContact O-N 2.98Å; F284-S287 PolarHBondContact O-N 3.4Å; F284-C427 HydrophobicContact CE1-CB 4.2Å; F284-I428 HydrophobicContact CB-CD1 4.46Å; F284-I428 HydrophobicContact CD1-CD1 3.49Å; F284-I428 VanDerWaalsContact CD1-CD1 3.49Å; F284-I428 HydrophobicContact CD1-CG1 3.43Å; F284-I428 VanDerWaalsContact CD1-CG1 3.43Å; F284-I428 HydrophobicContact CE1-CD1 3.99Å; F284-I428 HydrophobicContact CE1-CG1 3.34Å; F284-I428 HydrophobicContact CG-CD1 4.17Å; F284-I428 HydrophobicContact CG-CG1 4.39Å; F284-I428 HydrophobicContact CZ-CG1 4.19Å; F284-L431 HydrophobicContact CZ-CD1 4.32Å
285Y60.6Low74.5Confident39 Ų3942.5 Ų42.515%0.15321%0.211CC..THydrogen-bonded Turntrans-61.5-45.5-173.5-172.5-105000113.3I281 K282 L283 S287 I380 S385 V390 I417 A421I281-Y285 HydrophobicContact CG2-CD2 3.75Å; I281-Y285 HydrophobicContact CG2-CE2 4.19Å; K282-Y285 PolarHBondContact O-N 3.05Å; L283-Y285 PolarHBondContact O-N 3.32Å; Y285-S287 PolarHBondContact O-N 3.44Å; Y285-I380 HydrophobicContact CD1-CG1 4.47Å; Y285-S385 PolarHBondContact OH-O 3.05Å; Y285-V390 WeakPolarHBondContact OH-CG2 3.27Å; Y285-I417 HydrophobicContact CD1-CG2 3.96Å; Y285-I417 HydrophobicContact CE1-CG1 4.49Å; Y285-I417 HydrophobicContact CE1-CG2 3.48Å; Y285-I417 VanDerWaalsContact CE1-CG2 3.48Å; Y285-I417 HydrophobicContact CE2-CG1 4.35Å; Y285-A421 HydrophobicContact CD1-CB 4.43Å
286T64Low74.5Confident9 Ų939.6 Ų39.66%0.05520%0.202CC..THydrogen-bonded Turntrans-82.55.2178.945.70000113.6S376 I380 A421T286-S376 PolarHBondContact OG1-OG 3.36Å; T286-I380 HydrophobicContact CG2-CD1 4.3Å; T286-I380 HydrophobicContact CG2-CG1 3.39Å; T286-A421 HydrophobicContact CG2-CB 4.05Å
287S69.3Low74.7Confident36 Ų3634.9 Ų34.925%0.25219%0.188SC..THydrogen-bonded Turntrans56.4-148.6-177.8-58.30000112.3F284 Y285 Q456F284-S287 PolarHBondContact O-N 3.4Å; Y285-S287 PolarHBondContact O-N 3.44Å; S287-Q456 PolarHBondContact OG-NE2 2.77Å; S287-Q456 VanDerWaalsContact OG-NE2 3.11Å
288N69.9Low74.7Confident6 Ų632.1 Ų32.13%0.03217%0.174CC..THydrogen-bonded Turntrans-84.1-9.9-175.1-76.9-7000115.3I291 I292 L449 T452N288-I291 PolarHBondContact O-N 3.49Å; N288-I292 HydrophobicContact CB-CD1 4.29Å; N288-I292 WeakPolarHBondContact O-CG1 3.38Å; N288-I292 PolarHBondContact O-N 3.46Å; N288-L449 HydrophobicContact CB-CD2 3.58Å; N288-L449 PolarHBondContact ND2-O 3.23Å; N288-T452 VanDerWaalsContact ND2-CB 3.32Å; N288-T452 WeakPolarHBondContact ND2-CB 3.41Å; N288-T452 WeakPolarHBondContact OD1-CB 3.32Å; N288-T452 WeakPolarHBondContact OD1-CG2 3.34Å; N288-T452 PolarHBondContact OD1-OG1 3.38Å
289I71.1Confident74.3Confident57 Ų5728 Ų2829%0.29215%0.149SC..Hα-helixtrans-62.3-39.6-168.9-58.2170.8000112.4I291 I292 L293 W379I289-I291 VanDerWaalsContact C-N 3.32Å; I289-I291 PolarHBondContact O-N 2.83Å; I289-I292 PolarHBondContact O-N 3.04Å; I289-I292 VanDerWaalsContact O-N 3.15Å; I289-L293 HydrophobicContact CG2-CD1 3.98Å; I289-L293 HydrophobicContact CG2-CG 4.13Å; I289-L293 WeakPolarHBondContact O-CG 3.48Å; I289-L293 PolarHBondContact O-N 3.38Å; I289-W379 HydrophobicContact CB-CD2 4.47Å; I289-W379 HydrophobicContact CB-CZ2 4.3Å; I289-W379 HydrophobicContact CD1-CZ2 3.64Å; I289-W379 HydrophobicContact CG1-CZ2 4.5Å; I289-W379 HydrophobicContact CG2-CD2 3.85Å; I289-W379 HydrophobicContact CG2-CE3 4.11Å; I289-W379 HydrophobicContact CG2-CH2 3.81Å; I289-W379 HydrophobicContact CG2-CZ2 3.55Å; I289-W379 HydrophobicContact CG2-CZ3 4.08Å
290P68.9Low74Confident3 Ų328.4 Ų28.42%0.01916%0.156CC..Hα-helixtrans-59.7-37.7176.7-26.336.5000114Q294 F375P290-Q294 VanDerWaalsContact O-CB 3.29Å; P290-Q294 WeakPolarHBondContact O-CB 3.47Å; P290-Q294 PolarHBondContact O-N 2.97Å; P290-F375 HydrophobicContact CB-CB 4.15Å
291I74.2Confident73.7Confident3 Ų328.9 Ų28.92%0.01516%0.156CC..Hα-helixtrans-65.5-46175.2-52.1171.5000109.9N288 I289 L293 Q294 S295 I428 T445 L449N288-I291 PolarHBondContact O-N 3.49Å; I289-I291 VanDerWaalsContact C-N 3.32Å; I289-I291 PolarHBondContact O-N 2.83Å; I291-L293 VanDerWaalsContact C-N 3.28Å; I291-L293 PolarHBondContact O-N 3.4Å; I291-Q294 PolarHBondContact O-N 2.56Å; I291-S295 VanDerWaalsContact O-CB 3.22Å; I291-S295 WeakPolarHBondContact O-CB 3.1Å; I291-S295 PolarHBondContact O-N 3.37Å; I291-I428 HydrophobicContact CD1-CB 4.38Å; I291-I428 HydrophobicContact CD1-CD1 4.45Å; I291-I428 HydrophobicContact CD1-CG2 3.04Å; I291-I428 HydrophobicContact CG1-CG2 3.1Å; I291-T445 HydrophobicContact CG2-CG2 4.25Å; I291-L449 HydrophobicContact CB-CD2 4.25Å; I291-L449 HydrophobicContact CD1-CD2 4.22Å; I291-L449 HydrophobicContact CG2-CD2 4.41Å
292I77.3Confident73.3Confident33 Ų3329.4 Ų29.417%0.16916%0.158CC..Hα-helixtrans-59.2-45.4-179-63.3170.1000109.4I68 N288 I289 A296 L449I68-I292 HydrophobicContact CG2-CG2 4.38Å; N288-I292 HydrophobicContact CB-CD1 4.29Å; N288-I292 WeakPolarHBondContact O-CG1 3.38Å; N288-I292 PolarHBondContact O-N 3.46Å; I289-I292 PolarHBondContact O-N 3.04Å; I289-I292 VanDerWaalsContact O-N 3.15Å; I292-A296 WeakPolarHBondContact O-CB 3.32Å; I292-A296 PolarHBondContact O-N 2.89Å; I292-L449 HydrophobicContact CD1-CD2 4.05Å; I292-L449 HydrophobicContact CG1-CD1 4.05Å; I292-L449 HydrophobicContact CG1-CD2 3.59Å; I292-L449 HydrophobicContact CG1-CG 4.5Å
293L76.3Confident72.8Confident36 Ų3627.7 Ų27.719%0.18815%0.152CC..Hα-helixtrans-64.1-45.9177.5-71.3175.4000112.7L89 I289 I291 A296 L297 W379L89-L293 HydrophobicContact CD1-CD2 4.4Å; L89-L293 HydrophobicContact CD2-CD2 3.55Å; I289-L293 HydrophobicContact CG2-CD1 3.98Å; I289-L293 HydrophobicContact CG2-CG 4.13Å; I289-L293 WeakPolarHBondContact O-CG 3.48Å; I289-L293 PolarHBondContact O-N 3.38Å; I291-L293 VanDerWaalsContact C-N 3.28Å; I291-L293 PolarHBondContact O-N 3.4Å; L293-A296 PolarHBondContact O-N 3.38Å; L293-L297 WeakPolarHBondContact O-CB 3.21Å; L293-L297 PolarHBondContact O-N 3.28Å; L293-W379 HydrophobicContact CD1-CD2 4.4Å; L293-W379 HydrophobicContact CD1-CE3 3.59Å; L293-W379 HydrophobicContact CD1-CZ3 3.81Å
294Q81.4Confident72.6Confident5 Ų530.7 Ų30.72%0.02317%0.167CC..Hα-helixtrans-62.3-48.7178.8-174.4-78.1-28.900110.8P290 I291 A296 L297 V298 M368 S371 F375P290-Q294 VanDerWaalsContact O-CB 3.29Å; P290-Q294 WeakPolarHBondContact O-CB 3.47Å; P290-Q294 PolarHBondContact O-N 2.97Å; I291-Q294 PolarHBondContact O-N 2.56Å; Q294-A296 VanDerWaalsContact C-N 3.32Å; Q294-A296 PolarHBondContact O-N 3.01Å; Q294-L297 WeakPolarHBondContact O-CB 3.34Å; Q294-L297 PolarHBondContact O-N 3.44Å; Q294-V298 WeakPolarHBondContact O-CG2 3.39Å; Q294-V298 PolarHBondContact O-N 2.97Å; Q294-M368 PolarHBondContact NE2-SD 3.28Å; Q294-S371 VanDerWaalsContact CG-OG 3.31Å; Q294-S371 WeakPolarHBondContact CG-OG 3.4Å; Q294-F375 HydrophobicContact CB-CD2 4.03Å; Q294-F375 HydrophobicContact CB-CE2 4.36Å; Q294-F375 HydrophobicContact CG-CD2 4.43Å
295S76.1Confident72.4Confident16 Ų1630.3 Ų30.311%0.11217%0.166CC..Hα-helixtrans-66.8-34.8-179.1-164.70000111.8I68 I291 S299I68-S295 WeakPolarHBondContact CD1-OG 3.46Å; I291-S295 VanDerWaalsContact O-CB 3.22Å; I291-S295 WeakPolarHBondContact O-CB 3.1Å; I291-S295 PolarHBondContact O-N 3.37Å; S295-S299 VanDerWaalsContact O-CB 3.32Å; S295-S299 WeakPolarHBondContact O-CB 3.31Å; S295-S299 PolarHBondContact O-N 3.41Å; S295-S299 PolarHBondContact O-OG 2.94Å
296A75Confident72.7Confident29 Ų2929.9 Ų29.924%0.2417%0.165CC..Hα-helixtrans-67-42172.600000111.7I292 L293 Q294 S299 N300I292-A296 WeakPolarHBondContact O-CB 3.32Å; I292-A296 PolarHBondContact O-N 2.89Å; L293-A296 PolarHBondContact O-N 3.38Å; Q294-A296 VanDerWaalsContact C-N 3.32Å; Q294-A296 PolarHBondContact O-N 3.01Å; A296-S299 PolarHBondContact O-N 3Å; A296-N300 WeakPolarHBondContact O-CB 3.49Å; A296-N300 PolarHBondContact O-N 3.48Å; A296-N300 PolarHBondContact O-ND2 3.47Å
297L77.1Confident73Confident78 Ų7833.1 Ų33.141%0.40818%0.181SC..Hα-helixtrans-60.9-46.8175.8-177.9152.1000111.3L293 Q294 N300 L301 F375L293-L297 WeakPolarHBondContact O-CB 3.21Å; L293-L297 PolarHBondContact O-N 3.28Å; Q294-L297 WeakPolarHBondContact O-CB 3.34Å; Q294-L297 PolarHBondContact O-N 3.44Å; L297-N300 PolarHBondContact O-N 3.32Å; L297-L301 WeakPolarHBondContact O-CB 3.21Å; L297-L301 PolarHBondContact O-N 3.05Å; L297-F375 HydrophobicContact CD1-CE2 4.27Å; L297-F375 HydrophobicContact CD1-CZ 3.74Å
298V76.6Confident73Confident13 Ų1334.3 Ų34.38%0.07918%0.184CC..Hα-helixtrans-63.6-43.9178171.20000111Q294 N300 L301 Y302 L345 F367Q294-V298 WeakPolarHBondContact O-CG2 3.39Å; Q294-V298 PolarHBondContact O-N 2.97Å; V298-N300 PolarHBondContact O-N 3.11Å; V298-L301 PolarHBondContact O-N 3.49Å; V298-Y302 HydrophobicContact CG1-CD2 3.79Å; V298-Y302 HydrophobicContact CG1-CE2 3.21Å; V298-Y302 VanDerWaalsContact O-CD2 3.28Å; V298-Y302 WeakPolarHBondContact O-CD2 3.37Å; V298-Y302 PolarHBondContact O-N 3.06Å; V298-L345 HydrophobicContact CG2-CD2 4.36Å; V298-F367 HydrophobicContact CG2-CE1 3.97Å; V298-F367 HydrophobicContact CG2-CZ 4.42Å
299S73.3Confident72.8Confident7 Ų735 Ų355%0.04919%0.189CC..Hα-helixtrans-60.9-44.6176.8-59.60000112.1S295 A296 L301 Y302 V303S295-S299 VanDerWaalsContact O-CB 3.32Å; S295-S299 WeakPolarHBondContact O-CB 3.31Å; S295-S299 PolarHBondContact O-N 3.41Å; S295-S299 PolarHBondContact O-OG 2.94Å; A296-S299 PolarHBondContact O-N 3Å; S299-L301 VanDerWaalsContact C-N 3.33Å; S299-L301 PolarHBondContact O-N 3.38Å; S299-Y302 WeakPolarHBondContact O-CB 3.29Å; S299-Y302 PolarHBondContact O-N 3.42Å; S299-V303 WeakPolarHBondContact O-CG2 3.48Å; S299-V303 PolarHBondContact O-N 3.26Å
300N73.8Confident72.6Confident85 Ų8537.3 Ų37.346%0.45521%0.206SC..Hα-helixtrans-63.4-40.4176.6-71.9-27.7000111.7A296 L297 V298 Y302 V303 I304A296-N300 WeakPolarHBondContact O-CB 3.49Å; A296-N300 PolarHBondContact O-N 3.48Å; A296-N300 PolarHBondContact O-ND2 3.47Å; L297-N300 PolarHBondContact O-N 3.32Å; V298-N300 PolarHBondContact O-N 3.11Å; N300-Y302 VanDerWaalsContact C-N 3.33Å; N300-Y302 PolarHBondContact O-N 2.91Å; N300-V303 PolarHBondContact O-N 2.93Å; N300-I304 WeakPolarHBondContact O-CB 3.32Å; N300-I304 VanDerWaalsContact O-CG1 3.24Å; N300-I304 WeakPolarHBondContact O-CG1 3.36Å; N300-I304 PolarHBondContact O-N 3.3Å
301L73.6Confident72.6Confident54 Ų5446 Ų4628%0.28324%0.239SC..Hα-helixtrans-62.6-41.3176.4-167.2155.5000110.9L297 V298 S299 I304 S305 C342 L345L297-L301 WeakPolarHBondContact O-CB 3.21Å; L297-L301 PolarHBondContact O-N 3.05Å; V298-L301 PolarHBondContact O-N 3.49Å; S299-L301 VanDerWaalsContact C-N 3.33Å; S299-L301 PolarHBondContact O-N 3.38Å; L301-I304 PolarHBondContact O-N 3.15Å; L301-S305 WeakPolarHBondContact O-CB 2.91Å; L301-S305 PolarHBondContact O-N 3.16Å; L301-C342 WeakPolarHBondContact CD2-SG 3.31Å; L301-L345 HydrophobicContact CD1-CD2 4.02Å; L301-L345 HydrophobicContact CD2-CD2 4.39Å
302Y71.4Confident72.1Confident13 Ų1351.8 Ų51.85%0.05126%0.264CS..Hα-helixtrans-61-48.9174.7-76-45.4000113.3V298 S299 N300 I304 S305 Q306 W324 C342 L345 S346V298-Y302 HydrophobicContact CG1-CD2 3.79Å; V298-Y302 HydrophobicContact CG1-CE2 3.21Å; V298-Y302 VanDerWaalsContact O-CD2 3.28Å; V298-Y302 WeakPolarHBondContact O-CD2 3.37Å; V298-Y302 PolarHBondContact O-N 3.06Å; S299-Y302 WeakPolarHBondContact O-CB 3.29Å; S299-Y302 PolarHBondContact O-N 3.42Å; N300-Y302 VanDerWaalsContact C-N 3.33Å; N300-Y302 PolarHBondContact O-N 2.91Å; Y302-I304 VanDerWaalsContact C-N 3.32Å; Y302-I304 PolarHBondContact O-N 3.32Å; Y302-S305 PolarHBondContact O-N 3.31Å; Y302-Q306 WeakPolarHBondContact O-CB 3.3Å; Y302-Q306 PolarHBondContact O-N 2.69Å; Y302-W324 AromaticContact CD1-CH2 3.61Å; Y302-W324 HydrophobicContact CD1-CH2 3.61Å; Y302-W324 AromaticContact CD1-CZ2 3.67Å; Y302-W324 HydrophobicContact CD1-CZ2 3.67Å; Y302-W324 HydrophobicContact CE1-CH2 4.45Å; Y302-W324 HydrophobicContact CG-CH2 4Å; Y302-W324 HydrophobicContact CG-CZ2 4.29Å; Y302-W324 WeakPolarHBondContact O-CZ2 3.22Å; Y302-C342 HydrophobicContact CD1-CB 3.99Å; Y302-C342 HydrophobicContact CE1-CB 3.76Å; Y302-C342 VanDerWaalsContact CE1-O 3.3Å; Y302-C342 WeakPolarHBondContact CE1-O 3.26Å; Y302-C342 PolarHBondContact OH-O 3.4Å; Y302-L345 PolarHBondContact OH-O 2.95Å; Y302-L345 VanDerWaalsContact OH-O 3.08Å; Y302-S346 WeakPolarHBondContact OH-CA 3.46Å; Y302-S346 WeakPolarHBondContact OH-CB 3.33Å; Y302-S346 PolarHBondContact OH-N 3.26Å
303V69Low71.2Confident19 Ų1955.2 Ų55.212%0.11529%0.291CS..Hα-helixtrans-59.3-46.8179171.10000110.5F62 S299 N300 S305 Q306 M307F62-V303 HydrophobicContact CD1-CG1 4.39Å; F62-V303 HydrophobicContact CD1-CG2 3.5Å; F62-V303 HydrophobicContact CE1-CB 4.12Å; F62-V303 HydrophobicContact CE1-CG1 3.48Å; F62-V303 VanDerWaalsContact CE1-CG1 3.48Å; F62-V303 HydrophobicContact CE1-CG2 3.44Å; F62-V303 VanDerWaalsContact CE1-CG2 3.44Å; F62-V303 HydrophobicContact CZ-CG1 4.06Å; S299-V303 WeakPolarHBondContact O-CG2 3.48Å; S299-V303 PolarHBondContact O-N 3.26Å; N300-V303 PolarHBondContact O-N 2.93Å; V303-S305 VanDerWaalsContact C-N 3.34Å; V303-S305 PolarHBondContact O-N 2.84Å; V303-Q306 PolarHBondContact O-N 2.87Å; V303-M307 HydrophobicContact CG1-CE 3.8Å; V303-M307 HydrophobicContact CG1-CG 4.47Å; V303-M307 HydrophobicContact CG1-SD 4.26Å; V303-M307 WeakPolarHBondContact O-CB 3.24Å; V303-M307 WeakPolarHBondContact O-CG 3.44Å; V303-M307 PolarHBondContact O-N 3.15Å
304I71.8Confident70.5Confident94 Ų9456.2 Ų56.248%0.48231%0.31SS..Hα-helixtrans-59.9-47.9177.6-69.2168.1000109.6N300 L301 Y302 Q306 M307 L308N300-I304 WeakPolarHBondContact O-CB 3.32Å; N300-I304 VanDerWaalsContact O-CG1 3.24Å; N300-I304 WeakPolarHBondContact O-CG1 3.36Å; N300-I304 PolarHBondContact O-N 3.3Å; L301-I304 PolarHBondContact O-N 3.15Å; Y302-I304 VanDerWaalsContact C-N 3.32Å; Y302-I304 PolarHBondContact O-N 3.32Å; I304-Q306 PolarHBondContact O-N 3.27Å; I304-M307 PolarHBondContact O-N 3Å; I304-L308 HydrophobicContact CG2-CD1 3.85Å; I304-L308 WeakPolarHBondContact O-CB 3.19Å; I304-L308 WeakPolarHBondContact O-CD1 3.22Å; I304-L308 PolarHBondContact O-N 3.15Å
305S70.3Confident70.1Confident1 Ų160.4 Ų60.41%0.00733%0.332CS..Hα-helixtrans-60-44.2178.5175.50000112.3L301 Y302 V303 L308 S309 W324 C342L301-S305 WeakPolarHBondContact O-CB 2.91Å; L301-S305 PolarHBondContact O-N 3.16Å; Y302-S305 PolarHBondContact O-N 3.31Å; V303-S305 VanDerWaalsContact C-N 3.34Å; V303-S305 PolarHBondContact O-N 2.84Å; S305-L308 PolarHBondContact O-N 3.24Å; S305-S309 WeakPolarHBondContact O-CB 3.42Å; S305-S309 PolarHBondContact O-N 2.78Å; S305-S309 PolarHBondContact O-OG 2.78Å; S305-W324 PolarHBondContact OG-NE1 3.16Å; S305-C342 WeakPolarHBondContact CB-SG 3.31Å; S305-C342 PolarHBondContact OG-SG 2.95Å
306Q67.6Low69.6Low30 Ų3067.8 Ų67.814%0.1436%0.363CS..Hα-helixtrans-65.6-41.5179.2-170.2-176.76.600111.6P61 Y302 V303 I304 L308 S309 T310 W324P61-Q306 PolarHBondContact O-OE1 2.87Å; Y302-Q306 WeakPolarHBondContact O-CB 3.3Å; Y302-Q306 PolarHBondContact O-N 2.69Å; V303-Q306 PolarHBondContact O-N 2.87Å; I304-Q306 PolarHBondContact O-N 3.27Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-S309 WeakPolarHBondContact CA-OG 3.26Å; Q306-S309 PolarHBondContact O-N 2.92Å; Q306-S309 PolarHBondContact O-OG 2.9Å; Q306-T310 WeakPolarHBondContact O-CG2 3.29Å; Q306-T310 PolarHBondContact O-N 3.48Å; Q306-T310 VanDerWaalsContact O-N 3.08Å; Q306-T310 PolarHBondContact O-OG1 3.14Å; Q306-T310 VanDerWaalsContact O-OG1 3.1Å; Q306-W324 HydrophobicContact CB-CD2 4.25Å; Q306-W324 HydrophobicContact CB-CZ2 4.07Å; Q306-W324 HydrophobicContact CG-CD2 4.29Å
307M69Low69.2Low77 Ų7772.4 Ų72.438%0.37938%0.383SS..Hα-helixtrans-68-33.5175.8-72.8-170.9-178.400112.8F62 V303 I304 T310 R311F62-M307 HydrophobicContact CZ-CE 4.12Å; V303-M307 HydrophobicContact CG1-CE 3.8Å; V303-M307 HydrophobicContact CG1-CG 4.47Å; V303-M307 HydrophobicContact CG1-SD 4.26Å; V303-M307 WeakPolarHBondContact O-CB 3.24Å; V303-M307 WeakPolarHBondContact O-CG 3.44Å; V303-M307 PolarHBondContact O-N 3.15Å; I304-M307 PolarHBondContact O-N 3Å; M307-T310 PolarHBondContact O-OG1 2.83Å; M307-T310 VanDerWaalsContact O-OG1 3.1Å; M307-R311 PolarHBondContact O-N 2.69Å
308L69.8Low68.7Low62 Ų6269.1 Ų69.133%0.32537%0.366SS..Hα-helixtrans-72.8-38.9175.1-95.570000111.2I304 S305 Q306 R311 F312 V318I304-L308 HydrophobicContact CG2-CD1 3.85Å; I304-L308 WeakPolarHBondContact O-CB 3.19Å; I304-L308 WeakPolarHBondContact O-CD1 3.22Å; I304-L308 PolarHBondContact O-N 3.15Å; S305-L308 PolarHBondContact O-N 3.24Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; L308-R311 PolarHBondContact O-N 3.27Å; L308-F312 WeakPolarHBondContact O-CA 3.17Å; L308-F312 PolarHBondContact O-N 3.25Å; L308-V318 HydrophobicContact CB-CG1 4.45Å
309S65.4Low68.2Low21 Ų2172.4 Ų72.415%0.14738%0.383CS..Hα-helixtrans-68.1-34.2178.5640000112.5S305 Q306S305-S309 WeakPolarHBondContact O-CB 3.42Å; S305-S309 PolarHBondContact O-N 2.78Å; S305-S309 PolarHBondContact O-OG 2.78Å; Q306-S309 WeakPolarHBondContact CA-OG 3.26Å; Q306-S309 PolarHBondContact O-N 2.92Å; Q306-S309 PolarHBondContact O-OG 2.9Å
310T67.5Low67.9Low105 Ų10576.4 Ų76.464%0.64440%0.403SS*.Hα-helixtrans-74.8-32.2176.553.10000113.2Q306 M307Q306-T310 WeakPolarHBondContact O-CG2 3.29Å; Q306-T310 PolarHBondContact O-N 3.48Å; Q306-T310 VanDerWaalsContact O-N 3.08Å; Q306-T310 PolarHBondContact O-OG1 3.14Å; Q306-T310 VanDerWaalsContact O-OG1 3.1Å; M307-T310 PolarHBondContact O-OG1 2.83Å; M307-T310 VanDerWaalsContact O-OG1 3.1Å
311R67.6Low67.5Low185 Ų18574.9 Ų74.970%0.69840%0.395SS*.Hα-helixtrans-90.8-29.7179.8-73.1-163.3-110.4-142.7-2.3115M307 L308M307-R311 PolarHBondContact O-N 2.69Å; L308-R311 PolarHBondContact O-N 3.27Å
312F64.8Low67Low124 Ų12472.3 Ų72.354%0.54438%0.382SS..  trans-131.951-172.6-65-76.8000112.2L308 G314 V318L308-F312 WeakPolarHBondContact O-CA 3.17Å; L308-F312 PolarHBondContact O-N 3.25Å; F312-G314 PolarHBondContact O-N 2.86Å; F312-G314 VanDerWaalsContact O-N 3.09Å; F312-V318 HydrophobicContact CB-CG2 4.07Å
313S58.1Low66.7Low105 Ų10574.1 Ų74.173%0.73439%0.394SS*.THydrogen-bonded Turntrans-62.2110172.859.10000110.3
314G62Low66.6Low57 Ų5775.3 Ų75.359%0.58840%0.396SS*.THydrogen-bonded Turntrans131.5-12.5175.200000116.4F312F312-G314 PolarHBondContact O-N 2.86Å; F312-G314 VanDerWaalsContact O-N 3.09Å
315N71.8Confident65.9Low93 Ų9372.8 Ų72.850%0.49739%0.387SS..  trans-78.4134.7175.6-80.1-12.4000111.4L317 V318 N319N315-L317 PolarHBondContact O-N 3.43Å; N315-V318 HydrophobicContact CB-CB 4.12Å; N315-V318 HydrophobicContact CB-CG2 3.78Å; N315-V318 PolarHBondContact O-N 3.44Å; N315-N319 PolarHBondContact O-N 2.82Å
316F67.2Low65.2Low172 Ų17278.2 Ų78.275%0.75442%0.416SS*.Hα-helixtrans-52.4-41176.4178.8-99.1000112.6V318 L320F316-V318 PolarHBondContact O-N 2.9Å; F316-L320 WeakPolarHBondContact O-CB 3.48Å; F316-L320 PolarHBondContact O-N 3.28Å
317L65.4Low64.1Low126 Ų12680.7 Ų80.766%0.6643%0.434SS*.Hα-helixtrans-65.6-34.4176.5-75.7158.1000113.2N315 L321N315-L317 PolarHBondContact O-N 3.43Å; L317-L321 WeakPolarHBondContact O-CB 3.16Å; L317-L321 PolarHBondContact O-N 2.92Å
318V67.1Low62.6Low9 Ų982.7 Ų82.76%0.05546%0.455CS..Hα-helixtrans-76-40.8179.9177.40000110.2L308 F312 N315 F316 L320 L321 G322L308-V318 HydrophobicContact CB-CG1 4.45Å; F312-V318 HydrophobicContact CB-CG2 4.07Å; N315-V318 HydrophobicContact CB-CB 4.12Å; N315-V318 HydrophobicContact CB-CG2 3.78Å; N315-V318 PolarHBondContact O-N 3.44Å; F316-V318 PolarHBondContact O-N 2.9Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.39Å; V318-L321 PolarHBondContact O-N 2.85Å; V318-G322 PolarHBondContact O-N 3.46Å
319N65.2Low60.9Low82 Ų8284.1 Ų84.144%0.43947%0.47SS..Hα-helixtrans-65.9-32.6172.8-75-1.3000112.4N315 T323N315-N319 PolarHBondContact O-N 2.82Å; N319-T323 HydrophobicContact CB-CG2 4.19Å
320L67.1Low59.5Low91 Ų9186.6 Ų86.648%0.47650%0.499SS..Hα-helixtrans-69.5-36.6172.6-173.167.9000111.8F316 V318 G340 L341F316-L320 WeakPolarHBondContact O-CB 3.48Å; F316-L320 PolarHBondContact O-N 3.28Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.39Å; L320-G340 CarbonylContact O-C 3.54Å; L320-G340 WeakPolarHBondContact O-CA 3.22Å; L320-L341 PolarHBondContact O-N 2.66Å
321L66.3Low58.1Low53 Ų5384 Ų8428%0.27749%0.493SS..Hα-helixtrans-69.1-49178.1-115.7127.3000111.9L317 V318 L341 C342L317-L321 WeakPolarHBondContact O-CB 3.16Å; L317-L321 PolarHBondContact O-N 2.92Å; V318-L321 PolarHBondContact O-N 2.85Å; L321-L341 PolarHBondContact O-N 3.33Å; L321-C342 WeakPolarHBondContact O-CB 3.25Å; L321-C342 PolarHBondContact O-N 2.89Å; L321-C342 PolarHBondContact O-SG 3.5Å
322G63.1Low56.7Low0 Ų080.3 Ų80.30%049%0.493CS..  trans175124.4179.400000113.3V318 G339V318-G322 PolarHBondContact O-N 3.46Å; G322-G339 CarbonylContact C-O 3.55Å; G322-G339 VanDerWaalsContact CA-O 3.24Å; G322-G339 WeakPolarHBondContact CA-O 3.34Å
323T64.3Low55.4Low51 Ų5177.2 Ų77.231%0.31349%0.49SS..EExtended strand (participates in β ladder)trans-96.2115.6165.952.30000108.7N319 P337 V338 G339N319-T323 HydrophobicContact CB-CG2 4.19Å; T323-P337 CarbonylContact O-C 3.6Å; T323-V338 PolarHBondContact O-N 3.13Å; T323-G339 PolarHBondContact N-O 3.48Å; T323-G339 PolarHBondContact O-N 3.05Å; T323-G339 VanDerWaalsContact OG1-CA 3.31Å; T323-G339 WeakPolarHBondContact OG1-CA 3.28Å; T323-G339 PolarHBondContact OG1-N 3.33Å
324W67.6Low55.1Low43 Ų4376.4 Ų76.416%0.16347%0.471CS..EExtended strand (participates in β ladder)trans-93.6136.8177.8-63.278.6000109.3Y302 S305 Q306 A335 Y336 P337Y302-W324 AromaticContact CD1-CH2 3.61Å; Y302-W324 HydrophobicContact CD1-CH2 3.61Å; Y302-W324 AromaticContact CD1-CZ2 3.67Å; Y302-W324 HydrophobicContact CD1-CZ2 3.67Å; Y302-W324 HydrophobicContact CE1-CH2 4.45Å; Y302-W324 HydrophobicContact CG-CH2 4Å; Y302-W324 HydrophobicContact CG-CZ2 4.29Å; Y302-W324 WeakPolarHBondContact O-CZ2 3.22Å; S305-W324 PolarHBondContact OG-NE1 3.16Å; Q306-W324 HydrophobicContact CB-CD2 4.25Å; Q306-W324 HydrophobicContact CB-CZ2 4.07Å; Q306-W324 HydrophobicContact CG-CD2 4.29Å; W324-A335 HydrophobicContact CE3-CB 3.88Å; W324-A335 HydrophobicContact CZ3-CB 4.43Å; W324-A335 WeakPolarHBondContact CZ3-O 3.32Å; W324-Y336 WeakPolarHBondContact CA-O 3.4Å; W324-P337 HydrophobicContact CD2-CB 4.35Å; W324-P337 HydrophobicContact CE3-CB 4.33Å; W324-P337 HydrophobicContact CH2-CG 4.45Å; W324-P337 HydrophobicContact CZ3-CB 4.42Å; W324-P337 HydrophobicContact CZ3-CG 4.32Å
325S57.7Low54.7Low41 Ų4174.5 Ų74.529%0.28745%0.45SS..EExtended strand (participates in β ladder)trans-125.1134.2168.893.60000109.7T327 Y336 V338S325-T327 PolarHBondContact O-N 3Å; S325-Y336 PolarHBondContact N-O 3.25Å; S325-Y336 PolarHBondContact O-N 2.85Å; S325-V338 WeakPolarHBondContact OG-CG2 3.49Å
326D54Low54.1Low115 Ų11573.3 Ų73.362%0.61544%0.439SS*.EExtended strand (participates in β ladder)trans-83.592.8170.8-64.3-34.3000108.1S328 A335D326-S328 PolarHBondContact O-N 3.21Å; D326-A335 WeakPolarHBondContact OD1-CA 3.46Å; D326-A335 WeakPolarHBondContact OD1-CB 3.45Å
327T44.6Very low53.8Low83 Ų8365.8 Ų65.851%0.50941%0.407SS..  trans-82.8101.7168.8-68.60000108.7S325 S329S325-T327 PolarHBondContact O-N 3Å; T327-S329 WeakPolarHBondContact CG2-OG 3.16Å; T327-S329 PolarHBondContact O-N 2.93Å
328S38.6Very low53.6Low119 Ų11964 Ų6483%0.83240%0.401SS*.  trans-76.655.5174.1460000112.1D326D326-S328 PolarHBondContact O-N 3.21Å
329S33.1Very low53.3Low92 Ų9264.3 Ų64.364%0.64341%0.406SS*.SBendtrans-10482.3172.765.30000111.5T327 G331T327-S329 WeakPolarHBondContact CG2-OG 3.16Å; T327-S329 PolarHBondContact O-N 2.93Å; S329-G331 PolarHBondContact O-N 3.23Å
330G36.6Very low53.6Low72 Ų7261.4 Ų61.474%0.74240%0.395SS*.SBendtrans75.614.9152.200000118.9
331G37.8Very low53.7Low51 Ų5161.4 Ų61.453%0.52640%0.395SS..SBendtrans-140.4172170.700000111.2S329 A333S329-G331 PolarHBondContact O-N 3.23Å; G331-A333 PolarHBondContact O-N 3.4Å
332P37.7Very low53.8Low108 Ų10858.9 Ų58.970%0.70138%0.382SS*.SBendtrans-51.9134.1178.521-30.9000109.6R334P332-R334 WeakPolarHBondContact O-CG 3.41Å; P332-R334 PolarHBondContact O-N 2.84Å
333A38.6Very low54.3Low58 Ų5862 Ų6248%0.47940%0.395SS..  trans-49.6103.3-171.900000111.5A59 G331A59-A333 HydrophobicContact CB-CB 3.87Å; G331-A333 PolarHBondContact O-N 3.4Å
334R52.1Low54.7Low89 Ų8963.8 Ų63.834%0.33640%0.396SS..  trans-108.9117.8176-77.4179.7-176.1176.63.9108.2Y63 P332 Y336Y63-R334 PolarHBondContact OH-NH2 3.37Å; P332-R334 WeakPolarHBondContact O-CG 3.41Å; P332-R334 PolarHBondContact O-N 2.84Å; R334-Y336 HydrophobicContact CB-CD2 4.02Å; R334-Y336 HydrophobicContact CB-CE2 3.47Å; R334-Y336 VanDerWaalsContact CB-CE2 3.47Å; R334-Y336 WeakPolarHBondContact CD-OH 3.32Å; R334-Y336 HydrophobicContact CG-CE2 4.45Å; R334-Y336 PolarHBondContact NH1-OH 3.23Å; R334-Y336 WeakPolarHBondContact O-CD2 3.05Å; R334-Y336 PolarHBondContact O-N 3.07Å
335A53.9Low55Low17 Ų1762.8 Ų62.814%0.1439%0.394CS..EExtended strand (participates in β ladder)trans-72.7118.6167.800000107.9W324 D326W324-A335 HydrophobicContact CE3-CB 3.88Å; W324-A335 HydrophobicContact CZ3-CB 4.43Å; W324-A335 WeakPolarHBondContact CZ3-O 3.32Å; D326-A335 WeakPolarHBondContact OD1-CA 3.46Å; D326-A335 WeakPolarHBondContact OD1-CB 3.45Å
336Y59Low55.6Low67 Ų6761.7 Ų61.726%0.26339%0.386SS..EExtended strand (participates in β ladder)trans-104.3136.1174.5-76.9-81.1000109.7W324 S325 R334 V338 E349W324-Y336 WeakPolarHBondContact CA-O 3.4Å; S325-Y336 PolarHBondContact N-O 3.25Å; S325-Y336 PolarHBondContact O-N 2.85Å; R334-Y336 HydrophobicContact CB-CD2 4.02Å; R334-Y336 HydrophobicContact CB-CE2 3.47Å; R334-Y336 VanDerWaalsContact CB-CE2 3.47Å; R334-Y336 WeakPolarHBondContact CD-OH 3.32Å; R334-Y336 HydrophobicContact CG-CE2 4.45Å; R334-Y336 PolarHBondContact NH1-OH 3.23Å; R334-Y336 WeakPolarHBondContact O-CD2 3.05Å; R334-Y336 PolarHBondContact O-N 3.07Å; Y336-V338 PolarHBondContact O-N 3.36Å; Y336-E349 HydrophobicContact CE1-CG 4.47Å; Y336-E349 WeakPolarHBondContact CE1-OE1 3.41Å; Y336-E349 PolarHBondContact OH-OE1 3.18Å
337P60.8Low56.3Low14 Ų1457.5 Ų57.59%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-69.8116.1168.729.3-30.2000107.9T323 W324 C342 Y343T323-P337 CarbonylContact O-C 3.6Å; W324-P337 HydrophobicContact CD2-CB 4.35Å; W324-P337 HydrophobicContact CE3-CB 4.33Å; W324-P337 HydrophobicContact CH2-CG 4.45Å; W324-P337 HydrophobicContact CZ3-CB 4.42Å; W324-P337 HydrophobicContact CZ3-CG 4.32Å; P337-C342 HydrophobicContact CB-CB 4.12Å; P337-Y343 WeakPolarHBondContact O-CD2 3.18Å
338V61.3Low57.4Low89 Ų8954 Ų5454%0.53934%0.344SS..EExtended strand (participates in β ladder)trans-94.7-10.5178.4-177.90000111.7T323 S325 Y336T323-V338 PolarHBondContact O-N 3.13Å; S325-V338 WeakPolarHBondContact OG-CG2 3.49Å; Y336-V338 PolarHBondContact O-N 3.36Å
339G60.2Low58.3Low15 Ų1553.1 Ų53.116%0.15533%0.327CS..EExtended strand (participates in β ladder)trans-164.5167.3177.100000113.2G322 T323G322-G339 CarbonylContact C-O 3.55Å; G322-G339 VanDerWaalsContact CA-O 3.24Å; G322-G339 WeakPolarHBondContact CA-O 3.34Å; T323-G339 PolarHBondContact N-O 3.48Å; T323-G339 PolarHBondContact O-N 3.05Å; T323-G339 VanDerWaalsContact OG1-CA 3.31Å; T323-G339 WeakPolarHBondContact OG1-CA 3.28Å; T323-G339 PolarHBondContact OG1-N 3.33Å
340G71.7Confident59.6Low21 Ų2151.6 Ų51.622%0.21632%0.316CS..SBendtrans94.4-175177.400000114.8L320 C342 Y343L320-G340 CarbonylContact O-C 3.54Å; L320-G340 WeakPolarHBondContact O-CA 3.22Å; G340-C342 PolarHBondContact O-N 2.93Å; G340-Y343 VanDerWaalsContact O-CB 3.27Å; G340-Y343 WeakPolarHBondContact O-CB 3.44Å; G340-Y343 PolarHBondContact O-N 2.99Å
341L69.9Low60.8Low91 Ų9155 Ų5548%0.47631%0.311SS..Hα-helixtrans-57.5-36.8176.7-73167.6000111.8L320 L321 Y343 Y344 L345L320-L341 PolarHBondContact O-N 2.66Å; L321-L341 PolarHBondContact O-N 3.33Å; L341-Y343 VanDerWaalsContact C-N 3.25Å; L341-Y343 PolarHBondContact O-N 2.91Å; L341-Y344 PolarHBondContact O-N 2.99Å; L341-L345 WeakPolarHBondContact O-CD1 3.24Å; L341-L345 PolarHBondContact O-N 3.45Å; L341-L345 VanDerWaalsContact O-N 3.11Å
342C68.1Low61.9Low0 Ų054.4 Ų54.40%031%0.305CS..Hα-helixtrans-61.6-31.8176.1-71.80000113.3L301 Y302 S305 L321 P337 G340 L345 S346L301-C342 WeakPolarHBondContact CD2-SG 3.31Å; Y302-C342 HydrophobicContact CD1-CB 3.99Å; Y302-C342 HydrophobicContact CE1-CB 3.76Å; Y302-C342 VanDerWaalsContact CE1-O 3.3Å; Y302-C342 WeakPolarHBondContact CE1-O 3.26Å; Y302-C342 PolarHBondContact OH-O 3.4Å; S305-C342 WeakPolarHBondContact CB-SG 3.31Å; S305-C342 PolarHBondContact OG-SG 2.95Å; L321-C342 WeakPolarHBondContact O-CB 3.25Å; L321-C342 PolarHBondContact O-N 2.89Å; L321-C342 PolarHBondContact O-SG 3.5Å; P337-C342 HydrophobicContact CB-CB 4.12Å; G340-C342 PolarHBondContact O-N 2.93Å; C342-L345 PolarHBondContact O-N 3.46Å; C342-S346 PolarHBondContact O-N 3.24Å
343Y72.2Confident63.2Low67 Ų6751.9 Ų51.926%0.26329%0.29SS..Hα-helixtrans-59.4-58.7171.3-176-115.9000108.6P337 G340 L341 L345 S346 D357 H360P337-Y343 WeakPolarHBondContact O-CD2 3.18Å; G340-Y343 VanDerWaalsContact O-CB 3.27Å; G340-Y343 WeakPolarHBondContact O-CB 3.44Å; G340-Y343 PolarHBondContact O-N 2.99Å; L341-Y343 VanDerWaalsContact C-N 3.25Å; L341-Y343 PolarHBondContact O-N 2.91Å; Y343-L345 PolarHBondContact O-N 3.01Å; Y343-S346 WeakPolarHBondContact O-CA 3.34Å; Y343-S346 WeakPolarHBondContact O-CB 3.38Å; Y343-S346 PolarHBondContact O-N 3.39Å; Y343-S346 PolarHBondContact O-OG 3.04Å; Y343-D357 PolarHBondContact OH-OD2 3.4Å; Y343-H360 AromaticContact CD1-CE1 3.59Å; Y343-H360 AromaticContact CD1-ND1 3.2Å; Y343-H360 WeakPolarHBondContact CD1-ND1 3.29Å; Y343-H360 AromaticContact CD2-CE1 3.88Å; Y343-H360 HydrophobicContact CE1-CB 4.28Å; Y343-H360 AromaticContact CE1-CE1 3.66Å; Y343-H360 AromaticContact CE1-CG 3.94Å; Y343-H360 AromaticContact CE1-ND1 3.15Å; Y343-H360 WeakPolarHBondContact CE1-ND1 3.35Å; Y343-H360 AromaticContact CE2-CE1 3.93Å; Y343-H360 AromaticContact CG-CE1 3.72Å; Y343-H360 AromaticContact CG-ND1 3.82Å; Y343-H360 AromaticContact CZ-CE1 3.84Å; Y343-H360 AromaticContact CZ-ND1 3.72Å; Y343-H360 PolarHBondContact O-CE1 3.45Å
344Y74.6Confident64.6Low88 Ų8850.5 Ų50.535%0.34528%0.276SS..Hα-helixtrans-59.9-25-178.1-67.3-66.1000116L341 S346 H360 I363L341-Y344 PolarHBondContact O-N 2.99Å; Y344-S346 VanDerWaalsContact C-N 3.31Å; Y344-H360 HydrophobicContact CD1-CB 4.42Å; Y344-H360 AromaticContact CD1-ND1 3.78Å; Y344-H360 HydrophobicContact CE1-CB 4.47Å; Y344-I363 HydrophobicContact CD1-CB 4.21Å; Y344-I363 HydrophobicContact CD1-CD1 3.66Å; Y344-I363 HydrophobicContact CD1-CG2 4.21Å; Y344-I363 HydrophobicContact CE1-CD1 3.64Å; Y344-I363 HydrophobicContact CG-CD1 4.4Å; Y344-I363 HydrophobicContact CG-CG2 4.3Å
345L73.1Confident65.4Low22 Ų2252 Ų5212%0.11529%0.29CS..Hα-helixtrans-80.3-15174.6-85.678.3000112.6V298 L301 Y302 L341 C342 Y343 Y364 F367V298-L345 HydrophobicContact CG2-CD2 4.36Å; L301-L345 HydrophobicContact CD1-CD2 4.02Å; L301-L345 HydrophobicContact CD2-CD2 4.39Å; Y302-L345 PolarHBondContact OH-O 2.95Å; Y302-L345 VanDerWaalsContact OH-O 3.08Å; L341-L345 WeakPolarHBondContact O-CD1 3.24Å; L341-L345 PolarHBondContact O-N 3.45Å; L341-L345 VanDerWaalsContact O-N 3.11Å; C342-L345 PolarHBondContact O-N 3.46Å; Y343-L345 PolarHBondContact O-N 3.01Å; L345-Y364 WeakPolarHBondContact O-CD2 3.4Å; L345-Y364 WeakPolarHBondContact O-CE2 3.48Å; L345-F367 HydrophobicContact CD2-CE1 3.81Å; L345-F367 HydrophobicContact CD2-CE2 4.41Å; L345-F367 HydrophobicContact CD2-CZ 3.66Å; L345-F367 HydrophobicContact CG-CD1 4.15Å; L345-F367 HydrophobicContact CG-CE1 3.75Å; L345-F367 HydrophobicContact CG-CZ 3.95Å
346S70.6Confident66.4Low17 Ų1757.5 Ų57.512%0.11932%0.316CS..SBendtrans-85.6136.3-172.467.70000112.1Y302 C342 Y343 Y344 H360Y302-S346 WeakPolarHBondContact OH-CA 3.46Å; Y302-S346 WeakPolarHBondContact OH-CB 3.33Å; Y302-S346 PolarHBondContact OH-N 3.26Å; C342-S346 PolarHBondContact O-N 3.24Å; Y343-S346 WeakPolarHBondContact O-CA 3.34Å; Y343-S346 WeakPolarHBondContact O-CB 3.38Å; Y343-S346 PolarHBondContact O-N 3.39Å; Y343-S346 PolarHBondContact O-OG 3.04Å; Y344-S346 VanDerWaalsContact C-N 3.31Å; S346-H360 PolarHBondContact O-NE2 3.18Å; S346-H360 VanDerWaalsContact O-NE2 3.11Å
347P68.9Low67.2Low28 Ų2858 Ų5818%0.18232%0.324CS..PPolyproline II helixtrans-63.6130.6176.525.6-31.5000109.2W64 E349 Y364 D436W64-P347 HydrophobicContact CH2-CG 4.26Å; W64-P347 HydrophobicContact CZ3-CG 4.44Å; P347-E349 PolarHBondContact O-N 3.15Å; P347-Y364 HydrophobicContact CB-CE1 4.39Å; P347-Y364 HydrophobicContact CB-CE2 4.2Å; P347-D436 HydrophobicContact CB-CB 4.3Å
348P66.3Low68.1Low10 Ų1061 Ų617%0.06534%0.343CS..PPolyproline II helixtrans-66.5131.2170.927.4-31.9000109.3S350 V354 F437P348-S350 VanDerWaalsContact C-N 3.27Å; P348-S350 PolarHBondContact O-N 3.2Å; P348-V354 HydrophobicContact CB-CG2 3.88Å; P348-V354 HydrophobicContact CG-CG2 3.66Å; P348-F437 HydrophobicContact CG-CD1 3.89Å; P348-F437 HydrophobicContact CG-CE1 3.44Å; P348-F437 VanDerWaalsContact CG-CE1 3.44Å
349E58.6Low69.2Low99 Ų9961.3 Ų61.346%0.46335%0.345SS..SBendtrans-73.8-14.3-170.3-64.7-158.5137.400114.4Y336 P347Y336-E349 HydrophobicContact CE1-CG 4.47Å; Y336-E349 WeakPolarHBondContact CE1-OE1 3.41Å; Y336-E349 PolarHBondContact OH-OE1 3.18Å; P347-E349 PolarHBondContact O-N 3.15Å
350S60.7Low70.1Confident61 Ų6161 Ų6143%0.42734%0.34SS..SBendtrans-156.1151.7-171.9-70.60000112.8P348 G352 S353 V354P348-S350 VanDerWaalsContact C-N 3.27Å; P348-S350 PolarHBondContact O-N 3.2Å; S350-G352 PolarHBondContact O-N 3.11Å; S350-G352 VanDerWaalsContact O-N 3.16Å; S350-S353 WeakPolarHBondContact O-CB 3.41Å; S350-S353 PolarHBondContact O-N 2.95Å; S350-V354 PolarHBondContact O-N 3.22Å
351F60.3Low70.4Confident142 Ų14260.2 Ų60.262%0.62333%0.331SS*.Hα-helixtrans-55.2-30.3170.8-163.3-95.8000112.7L355F351-L355 HydrophobicContact CD1-CD1 3.89Å; F351-L355 HydrophobicContact CE1-CD1 3.82Å; F351-L355 PolarHBondContact O-N 3.24Å
352G61.6Low71.2Confident39 Ų3959.9 Ų59.940%0.40233%0.333SS..Hα-helixtrans-64.2-47.6172.700000112.8S350 V354 L355 D356S350-G352 PolarHBondContact O-N 3.11Å; S350-G352 VanDerWaalsContact O-N 3.16Å; G352-V354 PolarHBondContact O-N 3.11Å; G352-L355 WeakPolarHBondContact O-CB 3.49Å; G352-L355 PolarHBondContact O-N 3.42Å; G352-D356 PolarHBondContact O-N 2.89Å; G352-D356 VanDerWaalsContact O-N 3.11Å
353S65.4Low72Confident56 Ų5663.4 Ų63.439%0.39235%0.351SS..Hα-helixtrans-64.8-28178.7-45.50000113.1S350 D357S350-S353 WeakPolarHBondContact O-CB 3.41Å; S350-S353 PolarHBondContact O-N 2.95Å; S353-D357 PolarHBondContact O-N 3.36Å; S353-D357 VanDerWaalsContact O-N 3.13Å
354V67.3Low72.6Confident29 Ų2960.6 Ų60.618%0.17634%0.34CS..Hα-helixtrans-70.1-34.2173.8173.70000112P348 S350 G352 D357 A361 F437P348-V354 HydrophobicContact CB-CG2 3.88Å; P348-V354 HydrophobicContact CG-CG2 3.66Å; S350-V354 PolarHBondContact O-N 3.22Å; G352-V354 PolarHBondContact O-N 3.11Å; V354-D357 CarbonylContact O-C 3.56Å; V354-A361 HydrophobicContact CB-CB 4.48Å; V354-A361 HydrophobicContact CG1-CB 3.81Å; V354-A361 HydrophobicContact CG2-CB 4.35Å; V354-F437 HydrophobicContact CG2-CD1 4.09Å; V354-F437 HydrophobicContact CG2-CE1 4.12Å
355L69.1Low73.1Confident121 Ų12158.8 Ų58.863%0.63434%0.336SS*.Hα-helixtrans-73.7-35.2176.7-81.6157.8000111.9F351 G352F351-L355 HydrophobicContact CD1-CD1 3.89Å; F351-L355 HydrophobicContact CE1-CD1 3.82Å; F351-L355 PolarHBondContact O-N 3.24Å; G352-L355 WeakPolarHBondContact O-CB 3.49Å; G352-L355 PolarHBondContact O-N 3.42Å
356D74.4Confident73.9Confident131 Ų13162.3 Ų62.370%0.70136%0.358SS*.Hα-helixtrans-72.4-42.5179.7-65-28.8000111.5G352 P358G352-D356 PolarHBondContact O-N 2.89Å; G352-D356 VanDerWaalsContact O-N 3.11Å; D356-P358 WeakPolarHBondContact O-CD 3.28Å
357D76.3Confident74.7Confident77 Ų7764.6 Ų64.641%0.41237%0.366SS..  trans-123.378.3178.5-80-28.7000112.7Y343 S353 V354 V359 H360 A361Y343-D357 PolarHBondContact OH-OD2 3.4Å; S353-D357 PolarHBondContact O-N 3.36Å; S353-D357 VanDerWaalsContact O-N 3.13Å; V354-D357 CarbonylContact O-C 3.56Å; D357-V359 VanDerWaalsContact C-N 3.29Å; D357-V359 PolarHBondContact O-N 3.15Å; D357-H360 HydrophobicContact CB-CB 4.02Å; D357-H360 PolarHBondContact O-N 3.19Å; D357-A361 PolarHBondContact O-N 3.38Å
358P79.9Confident75.5Confident77 Ų7763.5 Ų63.550%0.536%0.358SS..Hα-helixtrans-66.6-29.3-177.725.1-33.8000113.1D356 A361 V362D356-P358 WeakPolarHBondContact O-CD 3.28Å; P358-A361 PolarHBondContact O-N 3.25Å; P358-V362 WeakPolarHBondContact O-CG2 3.35Å; P358-V362 PolarHBondContact O-N 2.88Å; P358-V362 VanDerWaalsContact O-N 3.09Å
359V83.7Confident76.5Confident96 Ų9665 Ų6558%0.58237%0.366SS*.Hα-helixtrans-66-41.1179.3177.90000111D357 V362 I363D357-V359 VanDerWaalsContact C-N 3.29Å; D357-V359 PolarHBondContact O-N 3.15Å; V359-V362 PolarHBondContact O-N 2.89Å; V359-I363 HydrophobicContact CG1-CD1 3.91Å; V359-I363 WeakPolarHBondContact O-CG1 3.45Å; V359-I363 PolarHBondContact O-N 2.89Å; V359-I363 VanDerWaalsContact O-N 3.08Å
360H78.6Confident78Confident9 Ų962.3 Ų62.34%0.04236%0.364CS..Hα-helixtrans-60.8-48.7176.5177.596.6000111.5Y343 Y344 S346 D357 V362 I363 Y364Y343-H360 AromaticContact CD1-CE1 3.59Å; Y343-H360 AromaticContact CD1-ND1 3.2Å; Y343-H360 WeakPolarHBondContact CD1-ND1 3.29Å; Y343-H360 AromaticContact CD2-CE1 3.88Å; Y343-H360 HydrophobicContact CE1-CB 4.28Å; Y343-H360 AromaticContact CE1-CE1 3.66Å; Y343-H360 AromaticContact CE1-CG 3.94Å; Y343-H360 AromaticContact CE1-ND1 3.15Å; Y343-H360 WeakPolarHBondContact CE1-ND1 3.35Å; Y343-H360 AromaticContact CE2-CE1 3.93Å; Y343-H360 AromaticContact CG-CE1 3.72Å; Y343-H360 AromaticContact CG-ND1 3.82Å; Y343-H360 AromaticContact CZ-CE1 3.84Å; Y343-H360 AromaticContact CZ-ND1 3.72Å; Y343-H360 PolarHBondContact O-CE1 3.45Å; Y344-H360 HydrophobicContact CD1-CB 4.42Å; Y344-H360 AromaticContact CD1-ND1 3.78Å; Y344-H360 HydrophobicContact CE1-CB 4.47Å; S346-H360 PolarHBondContact O-NE2 3.18Å; S346-H360 VanDerWaalsContact O-NE2 3.11Å; D357-H360 HydrophobicContact CB-CB 4.02Å; D357-H360 PolarHBondContact O-N 3.19Å; H360-V362 VanDerWaalsContact C-N 3.33Å; H360-V362 PolarHBondContact O-N 3.08Å; H360-I363 PolarHBondContact O-N 2.96Å; H360-Y364 WeakPolarHBondContact O-CB 3.42Å; H360-Y364 PolarHBondContact O-N 3.38Å
361A78.9Confident79.2Confident4 Ų460.2 Ų60.23%0.03335%0.35CS..Hα-helixtrans-59.9-42.9179.200000111.9V354 D357 P358 Y364 I365 F437V354-A361 HydrophobicContact CB-CB 4.48Å; V354-A361 HydrophobicContact CG1-CB 3.81Å; V354-A361 HydrophobicContact CG2-CB 4.35Å; D357-A361 PolarHBondContact O-N 3.38Å; P358-A361 PolarHBondContact O-N 3.25Å; A361-Y364 PolarHBondContact O-N 3.38Å; A361-I365 WeakPolarHBondContact O-CB 3.31Å; A361-I365 WeakPolarHBondContact O-CD1 3.37Å; A361-I365 WeakPolarHBondContact O-CG1 3.41Å; A361-I365 PolarHBondContact O-N 2.91Å; A361-F437 HydrophobicContact CB-CZ 4.5Å
362V85.9Confident80.3Confident85 Ų8553.6 Ų53.652%0.51532%0.321SS..Hα-helixtrans-63.6-44.3178.1172.40000111.7P358 V359 H360 I365 V366P358-V362 WeakPolarHBondContact O-CG2 3.35Å; P358-V362 PolarHBondContact O-N 2.88Å; P358-V362 VanDerWaalsContact O-N 3.09Å; V359-V362 PolarHBondContact O-N 2.89Å; H360-V362 VanDerWaalsContact C-N 3.33Å; H360-V362 PolarHBondContact O-N 3.08Å; V362-I365 PolarHBondContact O-N 2.96Å; V362-V366 HydrophobicContact CG1-CG2 4.46Å; V362-V366 VanDerWaalsContact O-CG2 3.32Å; V362-V366 WeakPolarHBondContact O-CG2 3.44Å; V362-V366 PolarHBondContact O-N 2.99Å
363I86.1Confident81.5Confident74 Ų7452.7 Ų52.738%0.37931%0.31SS..Hα-helixtrans-63.2-44.6178.2-67.8167.1000110.4Y344 V359 H360 I365 V366 F367Y344-I363 HydrophobicContact CD1-CB 4.21Å; Y344-I363 HydrophobicContact CD1-CD1 3.66Å; Y344-I363 HydrophobicContact CD1-CG2 4.21Å; Y344-I363 HydrophobicContact CE1-CD1 3.64Å; Y344-I363 HydrophobicContact CG-CD1 4.4Å; Y344-I363 HydrophobicContact CG-CG2 4.3Å; V359-I363 HydrophobicContact CG1-CD1 3.91Å; V359-I363 WeakPolarHBondContact O-CG1 3.45Å; V359-I363 PolarHBondContact O-N 2.89Å; V359-I363 VanDerWaalsContact O-N 3.08Å; H360-I363 PolarHBondContact O-N 2.96Å; I363-I365 PolarHBondContact O-N 2.98Å; I363-V366 PolarHBondContact O-N 3.47Å; I363-F367 VanDerWaalsContact O-CB 3.24Å; I363-F367 WeakPolarHBondContact O-CB 3.41Å; I363-F367 PolarHBondContact O-N 3.21Å
364Y83.9Confident82.6Confident7 Ų756.2 Ų56.23%0.02732%0.318CS..Hα-helixtrans-59-46.9176.4176.7-102.9000111.9L345 P347 H360 A361 V366 F367 M368 V433 D436 F437L345-Y364 WeakPolarHBondContact O-CD2 3.4Å; L345-Y364 WeakPolarHBondContact O-CE2 3.48Å; P347-Y364 HydrophobicContact CB-CE1 4.39Å; P347-Y364 HydrophobicContact CB-CE2 4.2Å; H360-Y364 WeakPolarHBondContact O-CB 3.42Å; H360-Y364 PolarHBondContact O-N 3.38Å; A361-Y364 PolarHBondContact O-N 3.38Å; Y364-V366 PolarHBondContact O-N 2.99Å; Y364-F367 PolarHBondContact O-N 3.06Å; Y364-M368 HydrophobicContact CD1-CG 4.3Å; Y364-M368 HydrophobicContact CD2-CG 4.04Å; Y364-M368 HydrophobicContact CE1-CG 3.86Å; Y364-M368 HydrophobicContact CE2-CG 3.56Å; Y364-M368 HydrophobicContact CE2-SD 3.99Å; Y364-M368 HydrophobicContact CG-CG 4.37Å; Y364-M368 VanDerWaalsContact CZ-CG 3.44Å; Y364-M368 WeakPolarHBondContact O-CB 3.5Å; Y364-M368 WeakPolarHBondContact O-CG 3.44Å; Y364-M368 PolarHBondContact O-N 3.09Å; Y364-V433 HydrophobicContact CD1-CG2 4.4Å; Y364-V433 HydrophobicContact CE1-CG2 3.86Å; Y364-D436 PolarHBondContact OH-OD2 2.76Å; Y364-F437 HydrophobicContact CD1-CE1 4.31Å
365I86.4Confident83.4Confident51 Ų5157 Ų5726%0.26232%0.319SS..Hα-helixtrans-58.1-51.2177.6-69.4163.1000110.9A361 V362 I363 F367 M368 L369 V433 F437A361-I365 WeakPolarHBondContact O-CB 3.31Å; A361-I365 WeakPolarHBondContact O-CD1 3.37Å; A361-I365 WeakPolarHBondContact O-CG1 3.41Å; A361-I365 PolarHBondContact O-N 2.91Å; V362-I365 PolarHBondContact O-N 2.96Å; I363-I365 PolarHBondContact O-N 2.98Å; I365-F367 VanDerWaalsContact C-N 3.34Å; I365-F367 PolarHBondContact O-N 3.31Å; I365-M368 PolarHBondContact O-N 2.9Å; I365-L369 HydrophobicContact CG2-CD1 3.46Å; I365-L369 VanDerWaalsContact CG2-CD1 3.46Å; I365-L369 HydrophobicContact CG2-CG 4.45Å; I365-L369 WeakPolarHBondContact O-CB 3.24Å; I365-L369 WeakPolarHBondContact O-CD1 3.47Å; I365-L369 VanDerWaalsContact O-CG 3.3Å; I365-L369 WeakPolarHBondContact O-CG 3.37Å; I365-L369 PolarHBondContact O-N 3.32Å; I365-V433 HydrophobicContact CG1-CG1 3.76Å; I365-F437 HydrophobicContact CD1-CE2 3.81Å; I365-F437 HydrophobicContact CD1-CZ 3.79Å; I365-F437 HydrophobicContact CG1-CE2 4.03Å; I365-F437 HydrophobicContact CG1-CZ 3.72Å
366V89.3Confident84.1Confident96 Ų9651.2 Ų51.258%0.58229%0.289SS*.Hα-helixtrans-63.7-42.3-178.3172.60000110.7V362 I363 Y364 G370V362-V366 HydrophobicContact CG1-CG2 4.46Å; V362-V366 VanDerWaalsContact O-CG2 3.32Å; V362-V366 WeakPolarHBondContact O-CG2 3.44Å; V362-V366 PolarHBondContact O-N 2.99Å; I363-V366 PolarHBondContact O-N 3.47Å; Y364-V366 PolarHBondContact O-N 2.99Å; V366-G370 WeakPolarHBondContact O-CA 3.38Å; V366-G370 PolarHBondContact O-N 3.43Å
367F87.7Confident84.5Confident64 Ų6450.4 Ų50.428%0.28128%0.279SS..Hα-helixtrans-64.1-47.2177.5177.3-101.7000112V298 L345 I363 Y364 I365 S371V298-F367 HydrophobicContact CG2-CE1 3.97Å; V298-F367 HydrophobicContact CG2-CZ 4.42Å; L345-F367 HydrophobicContact CD2-CE1 3.81Å; L345-F367 HydrophobicContact CD2-CE2 4.41Å; L345-F367 HydrophobicContact CD2-CZ 3.66Å; L345-F367 HydrophobicContact CG-CD1 4.15Å; L345-F367 HydrophobicContact CG-CE1 3.75Å; L345-F367 HydrophobicContact CG-CZ 3.95Å; I363-F367 VanDerWaalsContact O-CB 3.24Å; I363-F367 WeakPolarHBondContact O-CB 3.41Å; I363-F367 PolarHBondContact O-N 3.21Å; Y364-F367 PolarHBondContact O-N 3.06Å; I365-F367 VanDerWaalsContact C-N 3.34Å; I365-F367 PolarHBondContact O-N 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.33Å; F367-S371 PolarHBondContact O-N 3.33Å; F367-S371 PolarHBondContact O-OG 3.45Å
368M84.8Confident84.9Confident6 Ų649 Ų493%0.0327%0.273CS..Hα-helixtrans-62.8-49.4179.3-76.5-61.6-7100111.9Q294 Y364 I365 S371 C372 V433Q294-M368 PolarHBondContact NE2-SD 3.28Å; Y364-M368 HydrophobicContact CD1-CG 4.3Å; Y364-M368 HydrophobicContact CD2-CG 4.04Å; Y364-M368 HydrophobicContact CE1-CG 3.86Å; Y364-M368 HydrophobicContact CE2-CG 3.56Å; Y364-M368 HydrophobicContact CE2-SD 3.99Å; Y364-M368 HydrophobicContact CG-CG 4.37Å; Y364-M368 VanDerWaalsContact CZ-CG 3.44Å; Y364-M368 WeakPolarHBondContact O-CB 3.5Å; Y364-M368 WeakPolarHBondContact O-CG 3.44Å; Y364-M368 PolarHBondContact O-N 3.09Å; I365-M368 PolarHBondContact O-N 2.9Å; M368-S371 PolarHBondContact O-OG 3.4Å; M368-C372 VanDerWaalsContact O-CB 3.28Å; M368-C372 WeakPolarHBondContact O-CB 3.47Å; M368-C372 PolarHBondContact O-N 3.39Å; M368-C372 PolarHBondContact O-SG 3.16Å; M368-V433 HydrophobicContact CB-CG2 3.79Å; M368-V433 HydrophobicContact CG-CG2 4.08Å
369L88.6Confident85Confident42 Ų4246.8 Ų46.822%0.2226%0.255CS..Hα-helixtrans-64.2-45.3178.9-70.5162.4000111.6I365 A373 L426I365-L369 HydrophobicContact CG2-CD1 3.46Å; I365-L369 VanDerWaalsContact CG2-CD1 3.46Å; I365-L369 HydrophobicContact CG2-CG 4.45Å; I365-L369 WeakPolarHBondContact O-CB 3.24Å; I365-L369 WeakPolarHBondContact O-CD1 3.47Å; I365-L369 VanDerWaalsContact O-CG 3.3Å; I365-L369 WeakPolarHBondContact O-CG 3.37Å; I365-L369 PolarHBondContact O-N 3.32Å; L369-A373 VanDerWaalsContact O-CB 3.29Å; L369-A373 WeakPolarHBondContact O-CB 3.32Å; L369-A373 PolarHBondContact O-N 3.02Å; L369-L426 HydrophobicContact CD2-CD2 3.78Å; L369-L426 HydrophobicContact CD2-CG 3.81Å; L369-L426 WeakPolarHBondContact CD2-O 3.44Å
370G88.9Confident84.9Confident42 Ų4242.8 Ų42.843%0.43323%0.23SC..Hα-helixtrans-64.4-47-179.400000112.4V366 F374V366-G370 WeakPolarHBondContact O-CA 3.38Å; V366-G370 PolarHBondContact O-N 3.43Å; G370-F374 VanDerWaalsContact O-CB 3.29Å; G370-F374 WeakPolarHBondContact O-CB 3.32Å; G370-F374 PolarHBondContact O-N 3.37Å
371S86.8Confident85Confident17 Ų1749.5 Ų49.512%0.11926%0.262CS..Hα-helixtrans-66.4-43.9178.559.60000112.1Q294 F367 M368 A373 F374 F375Q294-S371 VanDerWaalsContact CG-OG 3.31Å; Q294-S371 WeakPolarHBondContact CG-OG 3.4Å; F367-S371 WeakPolarHBondContact O-CB 3.33Å; F367-S371 PolarHBondContact O-N 3.33Å; F367-S371 PolarHBondContact O-OG 3.45Å; M368-S371 PolarHBondContact O-OG 3.4Å; S371-A373 PolarHBondContact O-N 2.92Å; S371-F374 PolarHBondContact O-N 3.39Å; S371-F375 WeakPolarHBondContact O-CB 3.45Å; S371-F375 WeakPolarHBondContact O-CD2 3.39Å; S371-F375 PolarHBondContact O-N 2.94Å
372C83.7Confident84.8Confident2 Ų251.9 Ų51.91%0.01428%0.276CS..Hα-helixtrans-63.3-41.5177-68.90000112.3M368 S376 G425M368-C372 VanDerWaalsContact O-CB 3.28Å; M368-C372 WeakPolarHBondContact O-CB 3.47Å; M368-C372 PolarHBondContact O-N 3.39Å; M368-C372 PolarHBondContact O-SG 3.16Å; C372-S376 WeakPolarHBondContact O-CB 3.47Å; C372-S376 PolarHBondContact O-N 3.18Å; C372-G425 VanDerWaalsContact CB-O 3.32Å; C372-G425 WeakPolarHBondContact CB-O 3.41Å
373A86Confident84Confident21 Ų2150.1 Ų50.117%0.17427%0.267CS..Hα-helixtrans-67-40176.200000112.2L369 S371 K377L369-A373 VanDerWaalsContact O-CB 3.29Å; L369-A373 WeakPolarHBondContact O-CB 3.32Å; L369-A373 PolarHBondContact O-N 3.02Å; S371-A373 PolarHBondContact O-N 2.92Å; A373-K377 PolarHBondContact O-N 3.49Å; A373-K377 VanDerWaalsContact O-N 3.16Å
374F88Confident83.4Confident129 Ų12947.9 Ų47.957%0.56626%0.262SS*.Hα-helixtrans-64.5-52.5176.6179.2-99.2000111.5G370 S371 S376 K377 T378G370-F374 VanDerWaalsContact O-CB 3.29Å; G370-F374 WeakPolarHBondContact O-CB 3.32Å; G370-F374 PolarHBondContact O-N 3.37Å; S371-F374 PolarHBondContact O-N 3.39Å; F374-S376 VanDerWaalsContact C-N 3.29Å; F374-S376 PolarHBondContact O-N 3.27Å; F374-K377 PolarHBondContact O-N 3.29Å; F374-T378 HydrophobicContact CD1-CG2 4.42Å; F374-T378 HydrophobicContact CE1-CG2 3.99Å; F374-T378 HydrophobicContact CE2-CG2 4.18Å; F374-T378 HydrophobicContact CZ-CG2 3.86Å; F374-T378 PolarHBondContact O-N 3.44Å; F374-T378 PolarHBondContact O-OG1 3.11Å
375F84.3Confident83.1Confident45 Ų4549.6 Ų49.620%0.19728%0.275CS..Hα-helixtrans-62-36178-79.2-57.3000112.6P290 Q294 L297 S371 T378 W379P290-F375 HydrophobicContact CB-CB 4.15Å; Q294-F375 HydrophobicContact CB-CD2 4.03Å; Q294-F375 HydrophobicContact CB-CE2 4.36Å; Q294-F375 HydrophobicContact CG-CD2 4.43Å; L297-F375 HydrophobicContact CD1-CE2 4.27Å; L297-F375 HydrophobicContact CD1-CZ 3.74Å; S371-F375 WeakPolarHBondContact O-CB 3.45Å; S371-F375 WeakPolarHBondContact O-CD2 3.39Å; S371-F375 PolarHBondContact O-N 2.94Å; F375-T378 WeakPolarHBondContact CA-OG1 3.47Å; F375-T378 PolarHBondContact O-OG1 3.08Å; F375-T378 VanDerWaalsContact O-OG1 3.12Å; F375-W379 WeakPolarHBondContact O-CB 3.22Å; F375-W379 PolarHBondContact O-N 2.71Å
376S84.1Confident83Confident0 Ų048.3 Ų48.30%027%0.27CS..Hα-helixtrans-61.8-46174.7-173.70000111.4T286 C372 F374 W379 I380 A421T286-S376 PolarHBondContact OG1-OG 3.36Å; C372-S376 WeakPolarHBondContact O-CB 3.47Å; C372-S376 PolarHBondContact O-N 3.18Å; F374-S376 VanDerWaalsContact C-N 3.29Å; F374-S376 PolarHBondContact O-N 3.27Å; S376-W379 PolarHBondContact O-N 2.88Å; S376-I380 WeakPolarHBondContact O-CG1 3.4Å; S376-I380 PolarHBondContact O-N 2.73Å; S376-A421 WeakPolarHBondContact CB-O 3.28Å; S376-A421 PolarHBondContact OG-O 2.99Å
377K83.3Confident82.7Confident115 Ų11544 Ų4450%0.525%0.245SC..Hα-helixtrans-63.7-47.5179.1-76.3-175.7178.6-1790112.6A373 F374 W379 I380 A422A373-K377 PolarHBondContact O-N 3.49Å; A373-K377 VanDerWaalsContact O-N 3.16Å; F374-K377 PolarHBondContact O-N 3.29Å; K377-W379 VanDerWaalsContact C-N 3.27Å; K377-W379 PolarHBondContact O-N 2.96Å; K377-I380 PolarHBondContact O-N 3.39Å; K377-A422 HydrophobicContact CD-CB 4.43Å; K377-A422 HydrophobicContact CG-CB 4.24Å
378T83.6Confident82.5Confident46 Ų4648.3 Ų48.328%0.28226%0.264SS..Hα-helixtrans-65.1-34.6179.755.90000111.4F374 F375 I380 E381 V382F374-T378 HydrophobicContact CD1-CG2 4.42Å; F374-T378 HydrophobicContact CE1-CG2 3.99Å; F374-T378 HydrophobicContact CE2-CG2 4.18Å; F374-T378 HydrophobicContact CZ-CG2 3.86Å; F374-T378 PolarHBondContact O-N 3.44Å; F374-T378 PolarHBondContact O-OG1 3.11Å; F375-T378 WeakPolarHBondContact CA-OG1 3.47Å; F375-T378 PolarHBondContact O-OG1 3.08Å; F375-T378 VanDerWaalsContact O-OG1 3.12Å; T378-I380 VanDerWaalsContact C-N 3.34Å; T378-I380 PolarHBondContact O-N 2.94Å; T378-E381 PolarHBondContact O-N 2.95Å; T378-V382 WeakPolarHBondContact O-CG2 3.46Å; T378-V382 PolarHBondContact O-N 3.19Å; T378-V382 VanDerWaalsContact O-N 3.16Å
379W81.8Confident82.4Confident32 Ų3251 Ų5112%0.12128%0.278CS..Hα-helixtrans-64.5-34.3178.2-169.5-103.1000113.6I289 L293 F375 S376 K377 E381 V382 S383I289-W379 HydrophobicContact CB-CD2 4.47Å; I289-W379 HydrophobicContact CB-CZ2 4.3Å; I289-W379 HydrophobicContact CD1-CZ2 3.64Å; I289-W379 HydrophobicContact CG1-CZ2 4.5Å; I289-W379 HydrophobicContact CG2-CD2 3.85Å; I289-W379 HydrophobicContact CG2-CE3 4.11Å; I289-W379 HydrophobicContact CG2-CH2 3.81Å; I289-W379 HydrophobicContact CG2-CZ2 3.55Å; I289-W379 HydrophobicContact CG2-CZ3 4.08Å; L293-W379 HydrophobicContact CD1-CD2 4.4Å; L293-W379 HydrophobicContact CD1-CE3 3.59Å; L293-W379 HydrophobicContact CD1-CZ3 3.81Å; F375-W379 WeakPolarHBondContact O-CB 3.22Å; F375-W379 PolarHBondContact O-N 2.71Å; S376-W379 PolarHBondContact O-N 2.88Å; K377-W379 VanDerWaalsContact C-N 3.27Å; K377-W379 PolarHBondContact O-N 2.96Å; W379-E381 VanDerWaalsContact C-N 3.25Å; W379-E381 PolarHBondContact O-N 2.9Å; W379-V382 HydrophobicContact CZ3-CG1 4.4Å; W379-V382 PolarHBondContact O-N 2.89Å; W379-S383 WeakPolarHBondContact O-CB 3.4Å; W379-S383 PolarHBondContact O-N 3.21Å; W379-S383 PolarHBondContact O-OG 3.19Å
380I82.4Confident82.1Confident11 Ų1149.1 Ų49.16%0.05627%0.268CS..Hα-helixtrans-60.5-39.5176.6-60.9161.9000111.2Y285 T286 S376 K377 T378 S383 S385 S386 I417 A421Y285-I380 HydrophobicContact CD1-CG1 4.47Å; T286-I380 HydrophobicContact CG2-CD1 4.3Å; T286-I380 HydrophobicContact CG2-CG1 3.39Å; S376-I380 WeakPolarHBondContact O-CG1 3.4Å; S376-I380 PolarHBondContact O-N 2.73Å; K377-I380 PolarHBondContact O-N 3.39Å; T378-I380 VanDerWaalsContact C-N 3.34Å; T378-I380 PolarHBondContact O-N 2.94Å; I380-S383 PolarHBondContact O-OG 2.93Å; I380-S385 WeakPolarHBondContact CG2-O 3.37Å; I380-S385 PolarHBondContact O-N 2.6Å; I380-S386 PolarHBondContact O-N 3.46Å; I380-I417 HydrophobicContact CD1-CG2 4.48Å; I380-I417 HydrophobicContact CG2-CG2 4.09Å; I380-A421 HydrophobicContact CD1-CB 3.01Å; I380-A421 HydrophobicContact CG1-CB 3.78Å
381E79.9Confident81.8Confident151 Ų15147.6 Ų47.671%0.70625%0.251SS*.Hα-helixtrans-72-41.2-179.4-61.8-176.6171.400111.2T378 W379T378-E381 PolarHBondContact O-N 2.95Å; W379-E381 VanDerWaalsContact C-N 3.25Å; W379-E381 PolarHBondContact O-N 2.9Å
382V75.4Confident81.7Confident54 Ų5453 Ų5333%0.32727%0.273SS..Hα-helixtrans-71.8-38.4179.6172.30000112.3T378 W379 G384T378-V382 WeakPolarHBondContact O-CG2 3.46Å; T378-V382 PolarHBondContact O-N 3.19Å; T378-V382 VanDerWaalsContact O-N 3.16Å; W379-V382 HydrophobicContact CZ3-CG1 4.4Å; W379-V382 PolarHBondContact O-N 2.89Å; V382-G384 PolarHBondContact O-N 2.79Å
383S69.3Low81.7Confident48 Ų4857.7 Ų57.734%0.33630%0.295SS..THydrogen-bonded Turntrans-76.3-3.3-177.860.90000114.1W379 I380 S385W379-S383 WeakPolarHBondContact O-CB 3.4Å; W379-S383 PolarHBondContact O-N 3.21Å; W379-S383 PolarHBondContact O-OG 3.19Å; I380-S383 PolarHBondContact O-OG 2.93Å; S383-S385 PolarHBondContact O-N 3.35Å; S383-S385 PolarHBondContact OG-OG 3.1Å
384G73.4Confident81.6Confident26 Ų2657.1 Ų57.127%0.26829%0.288SS..THydrogen-bonded Turntrans62.523.5-17400000112.9V382 S386 D389V382-G384 PolarHBondContact O-N 2.79Å; G384-S386 VanDerWaalsContact C-N 3.32Å; G384-D389 WeakPolarHBondContact CA-OD2 3.45Å; G384-D389 WeakPolarHBondContact O-CB 3.25Å
385S78.1Confident81.3Confident44 Ų4456.2 Ų56.231%0.30828%0.284SS..  trans-99.319.7174.9-58.10000111.2Y285 I380 S383Y285-S385 PolarHBondContact OH-O 3.05Å; I380-S385 WeakPolarHBondContact CG2-O 3.37Å; I380-S385 PolarHBondContact O-N 2.6Å; S383-S385 PolarHBondContact O-N 3.35Å; S383-S385 PolarHBondContact OG-OG 3.1Å
386S82.8Confident81.4Confident23 Ų2360.4 Ų60.416%0.16131%0.305CS..SBendtrans-65.8155.6176.982.90000110.9I380 G384 K388 D389 V390I380-S386 PolarHBondContact O-N 3.46Å; G384-S386 VanDerWaalsContact C-N 3.32Å; S386-K388 PolarHBondContact O-N 2.93Å; S386-D389 WeakPolarHBondContact CB-OD2 3.36Å; S386-D389 PolarHBondContact O-N 3.05Å; S386-D389 PolarHBondContact OG-N 3.43Å; S386-D389 PolarHBondContact OG-OD2 2.95Å; S386-V390 WeakPolarHBondContact O-CG2 3.49Å; S386-V390 PolarHBondContact O-N 2.89Å
387A82.8Confident81.2Confident5 Ų566.7 Ų66.74%0.04133%0.334CS..Hα-helixtrans-54.8-29.8178.500000113.2A391 L413 N414 I417A387-A391 WeakPolarHBondContact O-CB 3.26Å; A387-A391 PolarHBondContact O-N 3.25Å; A387-A391 VanDerWaalsContact O-N 3.14Å; A387-L413 HydrophobicContact CB-CB 4.02Å; A387-N414 HydrophobicContact CB-CB 3.92Å; A387-I417 HydrophobicContact CB-CD1 4.03Å
388K83.9Confident81Confident156 Ų15666.4 Ų66.468%0.67833%0.334SS*.Hα-helixtrans-73.4-43.8176-68.2178.5-179.1174.40111.9S386 A391 K392 V410S386-K388 PolarHBondContact O-N 2.93Å; K388-A391 PolarHBondContact O-N 3.38Å; K388-K392 WeakPolarHBondContact O-CB 3.18Å; K388-K392 PolarHBondContact O-N 3.43Å; K388-V410 HydrophobicContact CG-CG1 4.26Å
389D82.9Confident80.9Confident61 Ų6165.5 Ų65.533%0.32633%0.327SS..Hα-helixtrans-69.5-42.7-178.4-58.4-40.7000111G384 S386 A391 K392 Q393G384-D389 WeakPolarHBondContact CA-OD2 3.45Å; G384-D389 WeakPolarHBondContact O-CB 3.25Å; S386-D389 WeakPolarHBondContact CB-OD2 3.36Å; S386-D389 PolarHBondContact O-N 3.05Å; S386-D389 PolarHBondContact OG-N 3.43Å; S386-D389 PolarHBondContact OG-OD2 2.95Å; D389-A391 PolarHBondContact O-N 3.06Å; D389-K392 WeakPolarHBondContact O-CB 3.39Å; D389-K392 PolarHBondContact O-N 2.96Å; D389-Q393 WeakPolarHBondContact O-CG 3.48Å; D389-Q393 PolarHBondContact O-N 2.84Å
390V82.9Confident80.7Confident4 Ų465.3 Ų65.32%0.02433%0.33CS..Hα-helixtrans-62.9-43.1174.7176.50000110.9Y279 Y285 S386 K392 Q393 L394 L413 I417Y279-V390 HydrophobicContact CE1-CG1 4.47Å; Y285-V390 WeakPolarHBondContact OH-CG2 3.27Å; S386-V390 WeakPolarHBondContact O-CG2 3.49Å; S386-V390 PolarHBondContact O-N 2.89Å; V390-K392 VanDerWaalsContact C-N 3.3Å; V390-K392 PolarHBondContact O-N 3.42Å; V390-Q393 PolarHBondContact O-N 3.28Å; V390-L394 HydrophobicContact CG1-CD1 4.15Å; V390-L394 HydrophobicContact CG1-CG 4.47Å; V390-L394 WeakPolarHBondContact O-CG 3.38Å; V390-L394 PolarHBondContact O-N 2.58Å; V390-L413 HydrophobicContact CG1-CD1 4.46Å; V390-I417 HydrophobicContact CB-CD1 4.44Å; V390-I417 HydrophobicContact CG2-CD1 4.37Å
391A83.4Confident80.3Confident9 Ų965.2 Ų65.27%0.07433%0.329CS..Hα-helixtrans-62.8-38175.300000112.1A387 K388 D389 L394 K395 M409 V410 L413A387-A391 WeakPolarHBondContact O-CB 3.26Å; A387-A391 PolarHBondContact O-N 3.25Å; A387-A391 VanDerWaalsContact O-N 3.14Å; K388-A391 PolarHBondContact O-N 3.38Å; D389-A391 PolarHBondContact O-N 3.06Å; A391-L394 PolarHBondContact O-N 3.45Å; A391-K395 WeakPolarHBondContact O-CB 3.26Å; A391-K395 PolarHBondContact O-N 2.9Å; A391-M409 HydrophobicContact CB-SD 4.41Å; A391-V410 HydrophobicContact CB-CG2 3.62Å; A391-L413 HydrophobicContact CB-CD1 3.91Å
392K84.7Confident79.8Confident130 Ų13066.4 Ų66.457%0.56533%0.327SS*.Hα-helixtrans-64.7-44.2174.9-171.1-176.1174.2-165.40111.4K388 D389 V390 K395 E396K388-K392 WeakPolarHBondContact O-CB 3.18Å; K388-K392 PolarHBondContact O-N 3.43Å; D389-K392 WeakPolarHBondContact O-CB 3.39Å; D389-K392 PolarHBondContact O-N 2.96Å; V390-K392 VanDerWaalsContact C-N 3.3Å; V390-K392 PolarHBondContact O-N 3.42Å; K392-K395 WeakPolarHBondContact O-CB 3.25Å; K392-K395 PolarHBondContact O-N 3.06Å; K392-E396 VanDerWaalsContact CE-OE1 3.29Å; K392-E396 WeakPolarHBondContact CE-OE1 3.3Å; K392-E396 WeakPolarHBondContact O-CG 3.34Å; K392-E396 PolarHBondContact O-N 3.43Å
393Q82.9Confident79.5Confident102 Ų10267.4 Ų67.448%0.47735%0.348SS..Hα-helixtrans-61.4-45.6175.3-72.6177.87.300112.1D389 V390 K395 E396 Q397D389-Q393 WeakPolarHBondContact O-CG 3.48Å; D389-Q393 PolarHBondContact O-N 2.84Å; V390-Q393 PolarHBondContact O-N 3.28Å; Q393-K395 VanDerWaalsContact C-N 3.26Å; Q393-K395 PolarHBondContact O-N 2.96Å; Q393-E396 PolarHBondContact O-N 3.13Å; Q393-Q397 WeakPolarHBondContact O-CG 3.45Å; Q393-Q397 PolarHBondContact O-N 3.35Å
394L83Confident79.6Confident8 Ų868.8 Ų68.84%0.04235%0.349CS..Hα-helixtrans-61.5-37.5176.2-72.3172000111.6I267 V390 A391 Q397 Q398 M399 M409 L413I267-L394 HydrophobicContact CD1-CD1 3.94Å; I267-L394 HydrophobicContact CD1-CD2 3.88Å; V390-L394 HydrophobicContact CG1-CD1 4.15Å; V390-L394 HydrophobicContact CG1-CG 4.47Å; V390-L394 WeakPolarHBondContact O-CG 3.38Å; V390-L394 PolarHBondContact O-N 2.58Å; A391-L394 PolarHBondContact O-N 3.45Å; L394-Q397 CarbonylContact O-C 3.5Å; L394-Q397 PolarHBondContact O-N 2.78Å; L394-Q398 PolarHBondContact O-N 3Å; L394-Q398 VanDerWaalsContact O-N 3.15Å; L394-M399 HydrophobicContact CB-CB 4.42Å; L394-M399 HydrophobicContact CD2-CB 4.08Å; L394-M399 PolarHBondContact O-N 3.35Å; L394-M409 HydrophobicContact CB-SD 4.25Å; L394-M409 HydrophobicContact CD1-SD 4.08Å; L394-L413 HydrophobicContact CD1-CD1 4.23Å
395K83.2Confident79.5Confident111 Ų11177.4 Ų77.448%0.48337%0.374SS..Hα-helixtrans-65.5-45.4174.9178.7171.7179.2151.70112.4A391 K392 Q393 Q397 Q398 E406A391-K395 WeakPolarHBondContact O-CB 3.26Å; A391-K395 PolarHBondContact O-N 2.9Å; K392-K395 WeakPolarHBondContact O-CB 3.25Å; K392-K395 PolarHBondContact O-N 3.06Å; Q393-K395 VanDerWaalsContact C-N 3.26Å; Q393-K395 PolarHBondContact O-N 2.96Å; K395-Q397 PolarHBondContact O-N 2.6Å; K395-Q398 PolarHBondContact O-N 3.24Å; K395-Q398 PolarHBondContact O-NE2 2.84Å; K395-Q398 VanDerWaalsContact O-NE2 3.07Å; K395-E406 IonicContact NZ-OE2 2.96Å; K395-E406 PolarHBondContact NZ-OE2 3.43Å
396E84.9Confident78.8Confident133 Ų13380.4 Ų80.462%0.62138%0.383SS*.Hα-helixtrans-60.3-34.9175-74.2173.4-170.600111.4K392 Q393 Q398K392-E396 VanDerWaalsContact CE-OE1 3.29Å; K392-E396 WeakPolarHBondContact CE-OE1 3.3Å; K392-E396 WeakPolarHBondContact O-CG 3.34Å; K392-E396 PolarHBondContact O-N 3.43Å; Q393-E396 PolarHBondContact O-N 3.13Å; E396-Q398 VanDerWaalsContact C-N 3.26Å; E396-Q398 PolarHBondContact O-N 2.87Å
397Q80.7Confident78.3Confident132 Ų13284.9 Ų84.962%0.61741%0.409SS*.THydrogen-bonded Turntrans-79.31173.8-67.1178.9-1.700114.4Q393 L394 K395 M399Q393-Q397 WeakPolarHBondContact O-CG 3.45Å; Q393-Q397 PolarHBondContact O-N 3.35Å; L394-Q397 CarbonylContact O-C 3.5Å; L394-Q397 PolarHBondContact O-N 2.78Å; K395-Q397 PolarHBondContact O-N 2.6Å; Q397-M399 VanDerWaalsContact C-N 3.26Å; Q397-M399 HydrophobicContact CB-CG 4.01Å; Q397-M399 PolarHBondContact O-N 3.4Å
398Q79.9Confident78Confident109 Ų10986.8 Ų86.851%0.50942%0.422SS..THydrogen-bonded Turntrans57.337.5-177.5-61-69.5-65.800113.3A270 L394 K395 E396A270-Q398 WeakPolarHBondContact CB-O 3.42Å; A270-Q398 PolarHBondContact N-O 3.2Å; L394-Q398 PolarHBondContact O-N 3Å; L394-Q398 VanDerWaalsContact O-N 3.15Å; K395-Q398 PolarHBondContact O-N 3.24Å; K395-Q398 PolarHBondContact O-NE2 2.84Å; K395-Q398 VanDerWaalsContact O-NE2 3.07Å; E396-Q398 VanDerWaalsContact C-N 3.26Å; E396-Q398 PolarHBondContact O-N 2.87Å
399M80.2Confident77.7Confident27 Ų2779.8 Ų79.813%0.13339%0.392CS..EExtended strand (participates in β ladder)trans-104.6128.6178.8-67.5-65-81.900109.6I267 N277 L394 Q397 M409I267-M399 HydrophobicContact CB-CE 4.31Å; I267-M399 HydrophobicContact CG2-CB 3.74Å; I267-M399 HydrophobicContact CG2-CE 3.81Å; N277-M399 HydrophobicContact CB-CE 4.16Å; L394-M399 HydrophobicContact CB-CB 4.42Å; L394-M399 HydrophobicContact CD2-CB 4.08Å; L394-M399 PolarHBondContact O-N 3.35Å; Q397-M399 VanDerWaalsContact C-N 3.26Å; Q397-M399 HydrophobicContact CB-CG 4.01Å; Q397-M399 PolarHBondContact O-N 3.4Å; M399-M409 WeakPolarHBondContact O-CE 3.45Å
400V77Confident77.7Confident28 Ų2879.2 Ų79.217%0.1739%0.391CS..EExtended strand (participates in β ladder)trans-124.9140.4-175.1-175.10000110.2I267 K268 A270I267-V400 WeakPolarHBondContact CG2-O 3.47Å; K268-V400 HydrophobicContact CG-CB 4.47Å; K268-V400 WeakPolarHBondContact CG-O 3.47Å; K268-V400 PolarHBondContact N-O 3.39Å; K268-V400 PolarHBondContact O-N 3.41Å; K268-V400 VanDerWaalsContact O-O 3.13Å; A270-V400 HydrophobicContact CB-CG2 4.03Å
401M74.3Confident77.8Confident9 Ų985.9 Ų85.94%0.04442%0.421CS..EExtended strand (participates in β ladder)trans-72.7146.7178.2-150.8173.2-150.600111L265 G403 H404 M409 E412L265-M401 HydrophobicContact CB-CE 3.68Å; L265-M401 HydrophobicContact CD1-CE 3.61Å; L265-M401 HydrophobicContact CD2-CE 3.7Å; L265-M401 HydrophobicContact CG-CE 3.85Å; M401-G403 PolarHBondContact O-N 2.94Å; M401-H404 HydrophobicContact CB-CB 4.46Å; M401-M409 HydrophobicContact CB-CE 4.4Å; M401-M409 HydrophobicContact CB-CG 4.23Å; M401-M409 HydrophobicContact SD-CG 4.35Å; M401-E412 HydrophobicContact CE-CG 4.29Å; M401-E412 HydrophobicContact SD-CB 4.23Å; M401-E412 HydrophobicContact SD-CG 4.3Å
402R69.4Low77.8Confident176 Ų17687.6 Ų87.666%0.66443%0.428SS*.THydrogen-bonded Turntrans-66.2129.7179-173.2178.9176.8179.5-1.4110.3P266 H404P266-R402 PolarHBondContact O-N 3.33Å; R402-H404 PolarHBondContact O-N 2.88Å; R402-H404 PolarHBondContact O-ND1 3.31Å
403G70.1Confident77.7Confident75 Ų7581.5 Ų81.577%0.77340%0.402SS*.THydrogen-bonded Turntrans80.6-11.3173.200000116.1M401M401-G403 PolarHBondContact O-N 2.94Å
404H72Confident77.9Confident76 Ų7681.2 Ų81.235%0.35240%0.403SS..  trans-112.4143.4-174.3-72.1101.4000112.6M401 R402 E412M401-H404 HydrophobicContact CB-CB 4.46Å; R402-H404 PolarHBondContact O-N 2.88Å; R402-H404 PolarHBondContact O-ND1 3.31Å; H404-E412 IonicContact CD2-OE2 3.85Å; H404-E412 IonicContact CE1-OE1 3.97Å; H404-E412 IonicContact CE1-OE2 2.87Å; H404-E412 PolarHBondContact CE1-OE2 2.92Å; H404-E412 IonicContact CG-OE2 3.59Å; H404-E412 IonicContact ND1-OE2 2.98Å; H404-E412 PolarHBondContact ND1-OE2 3.29Å; H404-E412 IonicContact NE2-OE2 3.48Å; H404-E412 PolarHBondContact NE2-OE2 2.88Å
405R69.7Low78Confident208 Ų20889 Ų8979%0.78543%0.432SS*.  trans-73.8162.2167.9-69.6-176.5179.2178.10.2109.8T407 S408 M409R405-T407 PolarHBondContact O-N 2.89Å; R405-T407 VanDerWaalsContact O-N 3.16Å; R405-S408 WeakPolarHBondContact O-CA 3.48Å; R405-S408 WeakPolarHBondContact O-CB 3.41Å; R405-S408 PolarHBondContact O-N 3.13Å; R405-M409 PolarHBondContact O-N 3.31Å; R405-M409 VanDerWaalsContact O-N 3.08Å
406E63.8Low78.2Confident106 Ų10687.2 Ų87.250%0.49542%0.423SS..Hα-helixtrans-52.1-40.3-177.2-63.5-172.2-179.800113.5K395 S408 M409K395-E406 IonicContact NZ-OE2 2.96Å; K395-E406 PolarHBondContact NZ-OE2 3.43Å; E406-S408 VanDerWaalsContact C-N 3.35Å; E406-M409 WeakPolarHBondContact O-CB 3.35Å; E406-M409 PolarHBondContact O-N 3.08Å
407T71.9Confident78.2Confident117 Ų11780.9 Ų80.972%0.71839%0.393SS*.Hα-helixtrans-69-33.317849.50000112.7R405R405-T407 PolarHBondContact O-N 2.89Å; R405-T407 VanDerWaalsContact O-N 3.16Å
408S77.5Confident78.5Confident45 Ų4576.7 Ų76.732%0.31538%0.377SS..Hα-helixtrans-73.7-28.3176.9-57.10000112.5R405 E406 V410 H411 E412R405-S408 WeakPolarHBondContact O-CA 3.48Å; R405-S408 WeakPolarHBondContact O-CB 3.41Å; R405-S408 PolarHBondContact O-N 3.13Å; E406-S408 VanDerWaalsContact C-N 3.35Å; S408-V410 VanDerWaalsContact C-N 3.32Å; S408-V410 PolarHBondContact O-N 3.11Å; S408-H411 WeakPolarHBondContact O-CB 3.2Å; S408-H411 PolarHBondContact O-N 3.29Å; S408-E412 PolarHBondContact O-N 3.41Å
409M77.7Confident78.8Confident10 Ų1075.4 Ų75.45%0.04938%0.377CS..Hα-helixtrans-59.1-43.8174.2-176.3-160.9-6500111.5A391 L394 M399 M401 R405 E406 H411 E412 L413A391-M409 HydrophobicContact CB-SD 4.41Å; L394-M409 HydrophobicContact CB-SD 4.25Å; L394-M409 HydrophobicContact CD1-SD 4.08Å; M399-M409 WeakPolarHBondContact O-CE 3.45Å; M401-M409 HydrophobicContact CB-CE 4.4Å; M401-M409 HydrophobicContact CB-CG 4.23Å; M401-M409 HydrophobicContact SD-CG 4.35Å; R405-M409 PolarHBondContact O-N 3.31Å; R405-M409 VanDerWaalsContact O-N 3.08Å; E406-M409 WeakPolarHBondContact O-CB 3.35Å; E406-M409 PolarHBondContact O-N 3.08Å; M409-H411 VanDerWaalsContact C-N 3.3Å; M409-H411 PolarHBondContact O-N 2.64Å; M409-E412 PolarHBondContact O-N 2.82Å; M409-L413 HydrophobicContact CG-CD1 3.85Å; M409-L413 HydrophobicContact CG-CG 4.44Å; M409-L413 WeakPolarHBondContact O-CB 3.29Å; M409-L413 WeakPolarHBondContact O-CG 3.28Å; M409-L413 PolarHBondContact O-N 2.8Å; M409-L413 HydrophobicContact SD-CD1 4.26Å
410V82.4Confident79Confident49 Ų4974.9 Ų74.930%0.29738%0.377SS..Hα-helixtrans-61.8-42177.1-179.10000110.5K388 A391 S408 N414K388-V410 HydrophobicContact CG-CG1 4.26Å; A391-V410 HydrophobicContact CB-CG2 3.62Å; S408-V410 VanDerWaalsContact C-N 3.32Å; S408-V410 PolarHBondContact O-N 3.11Å; V410-N414 WeakPolarHBondContact O-CB 3.36Å; V410-N414 PolarHBondContact O-N 2.85Å
411H85.1Confident79.3Confident143 Ų14373.5 Ų73.566%0.66237%0.369SS*.Hα-helixtrans-63.5-42.8179.7-172.376.1000111.9S408 M409 N414 R415S408-H411 WeakPolarHBondContact O-CB 3.2Å; S408-H411 PolarHBondContact O-N 3.29Å; M409-H411 VanDerWaalsContact C-N 3.3Å; M409-H411 PolarHBondContact O-N 2.64Å; H411-N414 PolarHBondContact O-N 3.06Å; H411-R415 PolarHBondContact O-N 3.11Å; H411-R415 VanDerWaalsContact O-N 3.14Å
412E83.3Confident79.8Confident45 Ų4574 Ų7421%0.2137%0.374CS..Hα-helixtrans-71.5-42.1-179.9-162.6147.1-155.500112.2M401 H404 S408 M409 N414 R415 Y416M401-E412 HydrophobicContact CE-CG 4.29Å; M401-E412 HydrophobicContact SD-CB 4.23Å; M401-E412 HydrophobicContact SD-CG 4.3Å; H404-E412 IonicContact CD2-OE2 3.85Å; H404-E412 IonicContact CE1-OE1 3.97Å; H404-E412 IonicContact CE1-OE2 2.87Å; H404-E412 PolarHBondContact CE1-OE2 2.92Å; H404-E412 IonicContact CG-OE2 3.59Å; H404-E412 IonicContact ND1-OE2 2.98Å; H404-E412 PolarHBondContact ND1-OE2 3.29Å; H404-E412 IonicContact NE2-OE2 3.48Å; H404-E412 PolarHBondContact NE2-OE2 2.88Å; S408-E412 PolarHBondContact O-N 3.41Å; M409-E412 PolarHBondContact O-N 2.82Å; E412-N414 VanDerWaalsContact C-N 3.28Å; E412-N414 PolarHBondContact O-N 3.5Å; E412-R415 WeakPolarHBondContact O-CB 2.9Å; E412-R415 PolarHBondContact O-N 3.17Å; E412-R415 VanDerWaalsContact O-N 3.09Å; E412-Y416 HydrophobicContact CG-CD2 4.23Å; E412-Y416 HydrophobicContact CG-CE2 3.84Å; E412-Y416 WeakPolarHBondContact O-CD2 3.38Å; E412-Y416 PolarHBondContact O-N 2.6Å
413L83.3Confident80.7Confident3 Ų371.2 Ų71.22%0.01637%0.367CS..Hα-helixtrans-60.2-38.7171.4-74.1169000111.9L265 I281 A387 V390 A391 L394 M409 R415 Y416 I417L265-L413 HydrophobicContact CD1-CD2 4.07Å; I281-L413 HydrophobicContact CD1-CD2 4.26Å; A387-L413 HydrophobicContact CB-CB 4.02Å; V390-L413 HydrophobicContact CG1-CD1 4.46Å; A391-L413 HydrophobicContact CB-CD1 3.91Å; L394-L413 HydrophobicContact CD1-CD1 4.23Å; M409-L413 HydrophobicContact CG-CD1 3.85Å; M409-L413 HydrophobicContact CG-CG 4.44Å; M409-L413 WeakPolarHBondContact O-CB 3.29Å; M409-L413 WeakPolarHBondContact O-CG 3.28Å; M409-L413 PolarHBondContact O-N 2.8Å; M409-L413 HydrophobicContact SD-CD1 4.26Å; L413-R415 PolarHBondContact O-N 3.33Å; L413-Y416 PolarHBondContact O-N 3.39Å; L413-I417 HydrophobicContact CB-CD1 4.1Å; L413-I417 HydrophobicContact CD2-CD1 4.07Å; L413-I417 WeakPolarHBondContact O-CB 3.15Å; L413-I417 WeakPolarHBondContact O-CG1 3.49Å; L413-I417 PolarHBondContact O-N 3.3Å
414N86.9Confident81.3Confident96 Ų9667.7 Ų67.751%0.51333%0.331SS..Hα-helixtrans-71-17.7177.8-162.842.1000113.2A387 V410 H411 E412 P418A387-N414 HydrophobicContact CB-CB 3.92Å; V410-N414 WeakPolarHBondContact O-CB 3.36Å; V410-N414 PolarHBondContact O-N 2.85Å; H411-N414 PolarHBondContact O-N 3.06Å; E412-N414 VanDerWaalsContact C-N 3.28Å; E412-N414 PolarHBondContact O-N 3.5Å; N414-P418 WeakPolarHBondContact O-CD 3.33Å; N414-P418 WeakPolarHBondContact O-CG 3.06Å
415R85.6Confident81.9Confident170 Ų17064.2 Ų64.264%0.64232%0.315SS*.Hα-helixtrans-77.5-37.9171.3-172.9178.2178.8-179.1-0.5111.8H411 E412 L413 T419H411-R415 PolarHBondContact O-N 3.11Å; H411-R415 VanDerWaalsContact O-N 3.14Å; E412-R415 WeakPolarHBondContact O-CB 2.9Å; E412-R415 PolarHBondContact O-N 3.17Å; E412-R415 VanDerWaalsContact O-N 3.09Å; L413-R415 PolarHBondContact O-N 3.33Å; R415-T419 VanDerWaalsContact O-CG2 3.28Å; R415-T419 WeakPolarHBondContact O-CG2 3.18Å; R415-T419 PolarHBondContact O-OG1 2.96Å
416Y86.1Confident82.8Confident74 Ų7458 Ų5829%0.2930%0.297SS..Hα-helixtrans-92.4-40.3-175.1-68.6-69.5000114.2V263 L265 E412 L413 T419 A420V263-Y416 HydrophobicContact CG1-CD1 4.36Å; V263-Y416 HydrophobicContact CG1-CE1 4.35Å; L265-Y416 HydrophobicContact CD1-CD2 4.32Å; L265-Y416 HydrophobicContact CD2-CD2 4.08Å; L265-Y416 HydrophobicContact CD2-CE2 3.9Å; E412-Y416 HydrophobicContact CG-CD2 4.23Å; E412-Y416 HydrophobicContact CG-CE2 3.84Å; E412-Y416 WeakPolarHBondContact O-CD2 3.38Å; E412-Y416 PolarHBondContact O-N 2.6Å; L413-Y416 PolarHBondContact O-N 3.39Å; Y416-T419 WeakPolarHBondContact CA-OG1 3.3Å; Y416-T419 PolarHBondContact O-OG1 3.49Å; Y416-A420 WeakPolarHBondContact O-CB 3.41Å; Y416-A420 PolarHBondContact O-N 3.26Å
417I85.8Confident83.8Confident0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-68-53.1-172-69.6169000112.5I281 Y285 I380 A387 V390 L413 T419 A420 A421I281-I417 HydrophobicContact CD1-CG1 4Å; Y285-I417 HydrophobicContact CD1-CG2 3.96Å; Y285-I417 HydrophobicContact CE1-CG1 4.49Å; Y285-I417 HydrophobicContact CE1-CG2 3.48Å; Y285-I417 VanDerWaalsContact CE1-CG2 3.48Å; Y285-I417 HydrophobicContact CE2-CG1 4.35Å; I380-I417 HydrophobicContact CD1-CG2 4.48Å; I380-I417 HydrophobicContact CG2-CG2 4.09Å; A387-I417 HydrophobicContact CB-CD1 4.03Å; V390-I417 HydrophobicContact CB-CD1 4.44Å; V390-I417 HydrophobicContact CG2-CD1 4.37Å; L413-I417 HydrophobicContact CB-CD1 4.1Å; L413-I417 HydrophobicContact CD2-CD1 4.07Å; L413-I417 WeakPolarHBondContact O-CB 3.15Å; L413-I417 WeakPolarHBondContact O-CG1 3.49Å; L413-I417 PolarHBondContact O-N 3.3Å; I417-T419 VanDerWaalsContact C-N 3.31Å; I417-T419 PolarHBondContact O-N 3.29Å; I417-A420 PolarHBondContact O-N 2.93Å; I417-A421 WeakPolarHBondContact O-CB 3.05Å; I417-A421 PolarHBondContact O-N 3.22Å
418P85.8Confident84.4Confident44 Ų4448.7 Ų48.729%0.28625%0.248SC..Hα-helixtrans-66.3-33.5-179.4-20.334.1000112.8N414 A422N414-P418 WeakPolarHBondContact O-CD 3.33Å; N414-P418 WeakPolarHBondContact O-CG 3.06Å; P418-A422 WeakPolarHBondContact O-CB 3.5Å; P418-A422 PolarHBondContact O-N 3.4Å
419T86.5Confident84.8Confident82 Ų8246.5 Ų46.550%0.50323%0.233SC..Hα-helixtrans-71.1-46.7176.953.10000110.9R415 Y416 I417 A421 A422 F423R415-T419 VanDerWaalsContact O-CG2 3.28Å; R415-T419 WeakPolarHBondContact O-CG2 3.18Å; R415-T419 PolarHBondContact O-OG1 2.96Å; Y416-T419 WeakPolarHBondContact CA-OG1 3.3Å; Y416-T419 PolarHBondContact O-OG1 3.49Å; I417-T419 VanDerWaalsContact C-N 3.31Å; I417-T419 PolarHBondContact O-N 3.29Å; T419-A421 VanDerWaalsContact C-N 3.33Å; T419-A421 PolarHBondContact O-N 2.97Å; T419-A422 PolarHBondContact O-N 3.1Å; T419-F423 WeakPolarHBondContact O-CB 3.41Å; T419-F423 PolarHBondContact O-N 3.33Å
420A84.7Confident85.2Confident16 Ų1647.4 Ų47.413%0.13224%0.244CC..Hα-helixtrans-59.8-42.6175.200000111.7I281 L283 Y416 I417 G424I281-A420 HydrophobicContact CG2-CB 4.15Å; L283-A420 VanDerWaalsContact O-O 3.08Å; Y416-A420 WeakPolarHBondContact O-CB 3.41Å; Y416-A420 PolarHBondContact O-N 3.26Å; I417-A420 PolarHBondContact O-N 2.93Å; A420-G424 WeakPolarHBondContact O-CA 3.44Å; A420-G424 PolarHBondContact O-N 3.46Å
421A83Confident85.5Confident0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-73.7-38.9-179.400000113.6Y285 T286 S376 I380 I417 T419 G425Y285-A421 HydrophobicContact CD1-CB 4.43Å; T286-A421 HydrophobicContact CG2-CB 4.05Å; S376-A421 WeakPolarHBondContact CB-O 3.28Å; S376-A421 PolarHBondContact OG-O 2.99Å; I380-A421 HydrophobicContact CD1-CB 3.01Å; I380-A421 HydrophobicContact CG1-CB 3.78Å; I417-A421 WeakPolarHBondContact O-CB 3.05Å; I417-A421 PolarHBondContact O-N 3.22Å; T419-A421 VanDerWaalsContact C-N 3.33Å; T419-A421 PolarHBondContact O-N 2.97Å; A421-G425 PolarHBondContact O-N 3.04Å
422A85.7Confident85.4Confident19 Ų1938.9 Ų38.916%0.15720%0.202CC..Hα-helixtrans-66-46.5176.400000111K377 P418 T419 L426K377-A422 HydrophobicContact CD-CB 4.43Å; K377-A422 HydrophobicContact CG-CB 4.24Å; P418-A422 WeakPolarHBondContact O-CB 3.5Å; P418-A422 PolarHBondContact O-N 3.4Å; T419-A422 PolarHBondContact O-N 3.1Å; A422-L426 WeakPolarHBondContact O-CB 3.18Å; A422-L426 PolarHBondContact O-N 3.27Å
423F87.2Confident85.4Confident118 Ų11837.1 Ų37.152%0.51819%0.194SC..Hα-helixtrans-69.6-39.4178.5-170.1-99.9000111.5L283 T419 L426 C427L283-F423 HydrophobicContact CD1-CD1 3.74Å; L283-F423 HydrophobicContact CD1-CE1 4.16Å; T419-F423 WeakPolarHBondContact O-CB 3.41Å; T419-F423 PolarHBondContact O-N 3.33Å; F423-L426 PolarHBondContact O-N 3.46Å; F423-C427 WeakPolarHBondContact CE1-SG 3.24Å; F423-C427 WeakPolarHBondContact O-CB 3.12Å; F423-C427 PolarHBondContact O-N 3.19Å; F423-C427 PolarHBondContact O-SG 3Å; F423-C427 VanDerWaalsContact O-SG 3.34Å
424G83.6Confident85.5Confident1 Ų140 Ų401%0.0121%0.208CC..Hα-helixtrans-59.9-47173.400000112.2L283 A420 L426 C427 I428L283-G424 WeakPolarHBondContact O-CA 3.48Å; A420-G424 WeakPolarHBondContact O-CA 3.44Å; A420-G424 PolarHBondContact O-N 3.46Å; G424-L426 VanDerWaalsContact C-N 3.32Å; G424-L426 PolarHBondContact O-N 3.4Å; G424-C427 PolarHBondContact O-N 3.35Å; G424-I428 WeakPolarHBondContact O-CB 3.36Å; G424-I428 VanDerWaalsContact O-CG1 3.23Å; G424-I428 WeakPolarHBondContact O-CG1 3.46Å; G424-I428 PolarHBondContact O-N 2.71Å
425G84.4Confident85.3Confident2 Ų235.4 Ų35.42%0.02118%0.184CC..Hα-helixtrans-61.9-38.2174.600000113C372 A421 G429C372-G425 VanDerWaalsContact CB-O 3.32Å; C372-G425 WeakPolarHBondContact CB-O 3.41Å; A421-G425 PolarHBondContact O-N 3.04Å; G425-G429 PolarHBondContact O-N 2.85Å
426L88Confident85Confident78 Ų7828.1 Ų28.141%0.40816%0.157SC..Hα-helixtrans-67.2-47.7175.5-167.4158.8000111.6L369 A422 F423 G424 I428 G429 G430L369-L426 HydrophobicContact CD2-CD2 3.78Å; L369-L426 HydrophobicContact CD2-CG 3.81Å; L369-L426 WeakPolarHBondContact CD2-O 3.44Å; A422-L426 WeakPolarHBondContact O-CB 3.18Å; A422-L426 PolarHBondContact O-N 3.27Å; F423-L426 PolarHBondContact O-N 3.46Å; G424-L426 VanDerWaalsContact C-N 3.32Å; G424-L426 PolarHBondContact O-N 3.4Å; L426-I428 VanDerWaalsContact C-N 3.32Å; L426-I428 PolarHBondContact O-N 3.33Å; L426-G429 PolarHBondContact O-N 3.04Å; L426-G430 PolarHBondContact O-N 3.44Å
427C86.4Confident84.5Confident21 Ų2126.4 Ų26.414%0.14215%0.152CC..Hα-helixtrans-59.4-43.5176.7-74.60000111.6F284 F423 G424 G430 L431F284-C427 HydrophobicContact CE1-CB 4.2Å; F423-C427 WeakPolarHBondContact CE1-SG 3.24Å; F423-C427 WeakPolarHBondContact O-CB 3.12Å; F423-C427 PolarHBondContact O-N 3.19Å; F423-C427 PolarHBondContact O-SG 3Å; F423-C427 VanDerWaalsContact O-SG 3.34Å; G424-C427 PolarHBondContact O-N 3.35Å; C427-G430 PolarHBondContact O-N 3.45Å; C427-L431 WeakPolarHBondContact O-CB 3.47Å; C427-L431 VanDerWaalsContact O-CG 3.27Å; C427-L431 WeakPolarHBondContact O-CG 3.32Å; C427-L431 PolarHBondContact O-N 3.42Å
428I84.1Confident84.1Confident6 Ų630 Ų303%0.03117%0.17CC..Hα-helixtrans-58.8-50.3174.7-78.4176.4000111.3F284 I291 G424 L426 G430 L431 S432F284-I428 HydrophobicContact CB-CD1 4.46Å; F284-I428 HydrophobicContact CD1-CD1 3.49Å; F284-I428 VanDerWaalsContact CD1-CD1 3.49Å; F284-I428 HydrophobicContact CD1-CG1 3.43Å; F284-I428 VanDerWaalsContact CD1-CG1 3.43Å; F284-I428 HydrophobicContact CE1-CD1 3.99Å; F284-I428 HydrophobicContact CE1-CG1 3.34Å; F284-I428 HydrophobicContact CG-CD1 4.17Å; F284-I428 HydrophobicContact CG-CG1 4.39Å; F284-I428 HydrophobicContact CZ-CG1 4.19Å; I291-I428 HydrophobicContact CD1-CB 4.38Å; I291-I428 HydrophobicContact CD1-CD1 4.45Å; I291-I428 HydrophobicContact CD1-CG2 3.04Å; I291-I428 HydrophobicContact CG1-CG2 3.1Å; G424-I428 WeakPolarHBondContact O-CB 3.36Å; G424-I428 VanDerWaalsContact O-CG1 3.23Å; G424-I428 WeakPolarHBondContact O-CG1 3.46Å; G424-I428 PolarHBondContact O-N 2.71Å; L426-I428 VanDerWaalsContact C-N 3.32Å; L426-I428 PolarHBondContact O-N 3.33Å; I428-G430 VanDerWaalsContact C-N 3.31Å; I428-G430 PolarHBondContact O-N 2.82Å; I428-L431 PolarHBondContact O-N 3.19Å; I428-S432 PolarHBondContact O-N 3.39Å
429G84.8Confident83.4Confident0 Ų028.8 Ų28.80%017%0.167CC..Hα-helixtrans-60.4-42.5178.600000111.7G425 L426 S432 V433G425-G429 PolarHBondContact O-N 2.85Å; L426-G429 PolarHBondContact O-N 3.04Å; G429-S432 PolarHBondContact O-N 2.93Å; G429-V433 VanDerWaalsContact O-CG2 3.28Å; G429-V433 WeakPolarHBondContact O-CG2 3.1Å; G429-V433 PolarHBondContact O-N 3.47Å
430G87.8Confident82.8Confident28 Ų2825.4 Ų25.429%0.28915%0.147SC..Hα-helixtrans-63.5-41.5176.300000113.3L426 C427 I428 S432 M434L426-G430 PolarHBondContact O-N 3.44Å; C427-G430 PolarHBondContact O-N 3.45Å; I428-G430 VanDerWaalsContact C-N 3.31Å; I428-G430 PolarHBondContact O-N 2.82Å; G430-S432 VanDerWaalsContact C-N 3.32Å; G430-S432 PolarHBondContact O-N 3.32Å; G430-M434 WeakPolarHBondContact O-CB 3.24Å; G430-M434 PolarHBondContact O-N 2.92Å
431L86.7Confident82Confident12 Ų1225.1 Ų25.16%0.06314%0.143CC..Hα-helixtrans-65-36.1175-72.7169.7000111.7V254 V255 F258 F284 C427 I428 M434 A435 L448V254-L431 HydrophobicContact CG1-CD2 3.73Å; V255-L431 HydrophobicContact CG2-CD1 4.34Å; F258-L431 HydrophobicContact CB-CD1 4.42Å; F258-L431 HydrophobicContact CD2-CD1 4.16Å; F258-L431 HydrophobicContact CD2-CD2 4.2Å; F258-L431 HydrophobicContact CE2-CD2 4.29Å; F258-L431 HydrophobicContact CG-CD1 4.41Å; F284-L431 HydrophobicContact CZ-CD1 4.32Å; C427-L431 WeakPolarHBondContact O-CB 3.47Å; C427-L431 VanDerWaalsContact O-CG 3.27Å; C427-L431 WeakPolarHBondContact O-CG 3.32Å; C427-L431 PolarHBondContact O-N 3.42Å; I428-L431 PolarHBondContact O-N 3.19Å; L431-M434 HydrophobicContact CD2-CE 3.82Å; L431-M434 PolarHBondContact O-N 2.99Å; L431-A435 WeakPolarHBondContact O-CB 3.39Å; L431-A435 PolarHBondContact O-N 3.43Å; L431-L448 HydrophobicContact CB-CD1 4.04Å; L431-L448 HydrophobicContact CB-CD2 4Å; L431-L448 HydrophobicContact CD1-CD2 4.31Å
432S83.5Confident80.9Confident2 Ų225.6 Ų25.61%0.01415%0.147CC..Hα-helixtrans-65.5-51.2177.7-171.20000110.7I428 G429 G430 M434 A435 D436 T445 L448I428-S432 PolarHBondContact O-N 3.39Å; G429-S432 PolarHBondContact O-N 2.93Å; G430-S432 VanDerWaalsContact C-N 3.32Å; G430-S432 PolarHBondContact O-N 3.32Å; S432-M434 VanDerWaalsContact C-N 3.28Å; S432-M434 PolarHBondContact O-N 3.24Å; S432-A435 WeakPolarHBondContact O-CB 3.34Å; S432-A435 PolarHBondContact O-N 3.29Å; S432-D436 VanDerWaalsContact O-CG 3.28Å; S432-D436 PolarHBondContact O-N 3.47Å; S432-D436 VanDerWaalsContact O-OD2 3.08Å; S432-D436 PolarHBondContact OG-OD2 3.01Å; S432-T445 WeakPolarHBondContact OG-CG2 3.41Å; S432-T445 PolarHBondContact OG-N 3.25Å; S432-L448 VanDerWaalsContact N-CD1 3.31Å
433V84.8Confident80.4Confident7 Ų726 Ų264%0.04215%0.149CC..Hα-helixtrans-56.5-44.1176.6168.90000110.9Y364 I365 M368 G429 A435 D436 F437Y364-V433 HydrophobicContact CD1-CG2 4.4Å; Y364-V433 HydrophobicContact CE1-CG2 3.86Å; I365-V433 HydrophobicContact CG1-CG1 3.76Å; M368-V433 HydrophobicContact CB-CG2 3.79Å; M368-V433 HydrophobicContact CG-CG2 4.08Å; G429-V433 VanDerWaalsContact O-CG2 3.28Å; G429-V433 WeakPolarHBondContact O-CG2 3.1Å; G429-V433 PolarHBondContact O-N 3.47Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.05Å; V433-D436 PolarHBondContact O-N 3.38Å; V433-F437 HydrophobicContact CG1-CD1 4.5Å; V433-F437 HydrophobicContact CG1-CD2 3.86Å; V433-F437 HydrophobicContact CG1-CE1 4.02Å; V433-F437 HydrophobicContact CG1-CE2 3.32Å; V433-F437 HydrophobicContact CG1-CG 4.43Å; V433-F437 HydrophobicContact CG1-CZ 3.42Å; V433-F437 VanDerWaalsContact CG1-CZ 3.42Å; V433-F437 WeakPolarHBondContact O-CB 3.28Å; V433-F437 WeakPolarHBondContact O-CG 3.37Å; V433-F437 PolarHBondContact O-N 3.4Å
434M83.8Confident79.7Confident63 Ų6320.4 Ų20.431%0.3113%0.125SC..Hα-helixtrans-62.3-40.8177.4-174-177.173.500111.7V254 G430 L431 S432 L438V254-M434 HydrophobicContact CG1-CE 4.32Å; G430-M434 WeakPolarHBondContact O-CB 3.24Å; G430-M434 PolarHBondContact O-N 2.92Å; L431-M434 HydrophobicContact CD2-CE 3.82Å; L431-M434 PolarHBondContact O-N 2.99Å; S432-M434 VanDerWaalsContact C-N 3.28Å; S432-M434 PolarHBondContact O-N 3.24Å; M434-L438 HydrophobicContact CG-CD1 4.08Å; M434-L438 WeakPolarHBondContact O-CB 3.32Å; M434-L438 VanDerWaalsContact O-CG 3.24Å; M434-L438 WeakPolarHBondContact O-CG 3.27Å; M434-L438 PolarHBondContact O-N 2.86Å
435A82.5Confident79.4Confident0 Ų021 Ų210%013%0.129CC..Hα-helixtrans-67.9-38.2177.300000112.4V251 L431 S432 V433 G439 A440 G444V251-A435 HydrophobicContact CB-CB 4.48Å; V251-A435 HydrophobicContact CG1-CB 3.78Å; V251-A435 HydrophobicContact CG2-CB 3.94Å; L431-A435 WeakPolarHBondContact O-CB 3.39Å; L431-A435 PolarHBondContact O-N 3.43Å; S432-A435 WeakPolarHBondContact O-CB 3.34Å; S432-A435 PolarHBondContact O-N 3.29Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.05Å; A435-G439 PolarHBondContact O-N 3.08Å; A435-A440 HydrophobicContact CB-CB 4.35Å; A435-A440 VanDerWaalsContact O-CB 3.32Å; A435-A440 WeakPolarHBondContact O-CB 3.28Å; A435-A440 PolarHBondContact O-N 3.49Å; A435-A440 VanDerWaalsContact O-N 3.07Å; A435-G444 VanDerWaalsContact CB-CA 3.48Å
436D79.2Confident79Confident17 Ų1721 Ų219%0.09113%0.128CC..Hα-helixtrans-65.6-43.8175.4-65.3-37.5000110.8P347 Y364 S432 V433 L438 G439 G444P347-D436 HydrophobicContact CB-CB 4.3Å; Y364-D436 PolarHBondContact OH-OD2 2.76Å; S432-D436 VanDerWaalsContact O-CG 3.28Å; S432-D436 PolarHBondContact O-N 3.47Å; S432-D436 VanDerWaalsContact O-OD2 3.08Å; S432-D436 PolarHBondContact OG-OD2 3.01Å; V433-D436 PolarHBondContact O-N 3.38Å; D436-L438 PolarHBondContact O-N 2.93Å; D436-G439 PolarHBondContact O-N 2.81Å; D436-G444 VanDerWaalsContact OD1-CA 3.27Å; D436-G444 WeakPolarHBondContact OD1-CA 3.33Å; D436-G444 PolarHBondContact OD1-N 2.92Å
437F77.3Confident78.7Confident38 Ų3817.4 Ų17.417%0.16711%0.109CC..Hα-helixtrans-66.9-32.8177.7-67.8-11.8000114.3P348 V354 A361 Y364 I365 V433 G439P348-F437 HydrophobicContact CG-CD1 3.89Å; P348-F437 HydrophobicContact CG-CE1 3.44Å; P348-F437 VanDerWaalsContact CG-CE1 3.44Å; V354-F437 HydrophobicContact CG2-CD1 4.09Å; V354-F437 HydrophobicContact CG2-CE1 4.12Å; A361-F437 HydrophobicContact CB-CZ 4.5Å; Y364-F437 HydrophobicContact CD1-CE1 4.31Å; I365-F437 HydrophobicContact CD1-CE2 3.81Å; I365-F437 HydrophobicContact CD1-CZ 3.79Å; I365-F437 HydrophobicContact CG1-CE2 4.03Å; I365-F437 HydrophobicContact CG1-CZ 3.72Å; V433-F437 HydrophobicContact CG1-CD1 4.5Å; V433-F437 HydrophobicContact CG1-CD2 3.86Å; V433-F437 HydrophobicContact CG1-CE1 4.02Å; V433-F437 HydrophobicContact CG1-CE2 3.32Å; V433-F437 HydrophobicContact CG1-CG 4.43Å; V433-F437 HydrophobicContact CG1-CZ 3.42Å; V433-F437 VanDerWaalsContact CG1-CZ 3.42Å; V433-F437 WeakPolarHBondContact O-CB 3.28Å; V433-F437 WeakPolarHBondContact O-CG 3.37Å; V433-F437 PolarHBondContact O-N 3.4Å; F437-G439 PolarHBondContact O-N 2.81Å
438L76Confident78.5Confident75 Ų7516.5 Ų16.539%0.39310%0.103SC..THydrogen-bonded Turntrans-75.7-5.2174.8-70.7170.3000112.6A247 F250 V251 M434 D436A247-L438 HydrophobicContact CB-CB 3.98Å; F250-L438 HydrophobicContact CD1-CD1 4.32Å; V251-L438 HydrophobicContact CG2-CD1 3.95Å; M434-L438 HydrophobicContact CG-CD1 4.08Å; M434-L438 WeakPolarHBondContact O-CB 3.32Å; M434-L438 VanDerWaalsContact O-CG 3.24Å; M434-L438 WeakPolarHBondContact O-CG 3.27Å; M434-L438 PolarHBondContact O-N 2.86Å; D436-L438 PolarHBondContact O-N 2.93Å
439G71.7Confident78.4Confident20 Ų2016.3 Ų16.321%0.20610%0.102CC..THydrogen-bonded Turntrans69.232.9-179.200000113N244 A435 D436 F437N244-G439 VanDerWaalsContact CB-O 3.23Å; N244-G439 WeakPolarHBondContact CB-O 3.47Å; N244-G439 PolarHBondContact ND2-O 3.25Å; A435-G439 PolarHBondContact O-N 3.08Å; D436-G439 PolarHBondContact O-N 2.81Å; F437-G439 PolarHBondContact O-N 2.81Å
440A73.1Confident78.3Confident11 Ų1116.6 Ų16.69%0.09110%0.104CC..  trans-60.4139.1-176.700000112.1A435 G442 I447A435-A440 HydrophobicContact CB-CB 4.35Å; A435-A440 VanDerWaalsContact O-CB 3.32Å; A435-A440 WeakPolarHBondContact O-CB 3.28Å; A435-A440 PolarHBondContact O-N 3.49Å; A435-A440 VanDerWaalsContact O-N 3.07Å; A440-G442 PolarHBondContact O-N 3.07Å; A440-I447 HydrophobicContact CB-CD1 3.47Å; A440-I447 VanDerWaalsContact CB-CD1 3.47Å
441I68.4Low78.2Confident10 Ų1015.4 Ų15.45%0.0519%0.091CC..THydrogen-bonded Turntrans-69.1117.6-177.7-56.5179.6000110K194 P240 N244 L245 T248 I447K194-I441 HydrophobicContact CB-CG2 3.5Å; K194-I441 VanDerWaalsContact CB-CG2 3.5Å; K194-I441 HydrophobicContact CD-CG2 3.46Å; K194-I441 VanDerWaalsContact CD-CG2 3.46Å; K194-I441 HydrophobicContact CG-CG2 4.1Å; P240-I441 HydrophobicContact CB-CD1 4.4Å; N244-I441 HydrophobicContact CB-CD1 4.14Å; N244-I441 HydrophobicContact CB-CG1 3.65Å; L245-I441 HydrophobicContact CB-CD1 3.9Å; T248-I441 PolarHBondContact OG1-N 3.31Å; I441-I447 WeakPolarHBondContact O-CD1 3.48Å
442G60.9Low78Confident9 Ų915 Ų159%0.0939%0.09CC..THydrogen-bonded Turntrans107.917.9172.500000116.3A440A440-G442 PolarHBondContact O-N 3.07Å
443S73.9Confident78Confident28 Ų2815.3 Ų15.320%0.1969%0.091CC..  trans68.8133.6-171.5-170.50000112.1T445 G446 I447S443-T445 PolarHBondContact O-N 2.94Å; S443-T445 PolarHBondContact OG-OG1 2.91Å; S443-G446 PolarHBondContact O-N 3.19Å; S443-G446 VanDerWaalsContact O-N 3.09Å; S443-I447 WeakPolarHBondContact O-CG1 3.42Å; S443-I447 PolarHBondContact O-N 3.41Å; S443-I447 VanDerWaalsContact O-N 3.08Å
444G72.3Confident78.1Confident0 Ų018.8 Ų18.80%011%0.108CC..Hα-helixtrans-57.9-40178.300000112.1A435 D436 L448A435-G444 VanDerWaalsContact CB-CA 3.48Å; D436-G444 VanDerWaalsContact OD1-CA 3.27Å; D436-G444 WeakPolarHBondContact OD1-CA 3.33Å; D436-G444 PolarHBondContact OD1-N 2.92Å; G444-L448 PolarHBondContact O-N 2.84Å
445T78.1Confident78.1Confident15 Ų1518.7 Ų18.79%0.09211%0.105CC..Hα-helixtrans-59.6-46.3173.353.30000112.4I291 S432 S443 L448 L449I291-T445 HydrophobicContact CG2-CG2 4.25Å; S432-T445 WeakPolarHBondContact OG-CG2 3.41Å; S432-T445 PolarHBondContact OG-N 3.25Å; S443-T445 PolarHBondContact O-N 2.94Å; S443-T445 PolarHBondContact OG-OG1 2.91Å; T445-L448 PolarHBondContact O-N 3.24Å; T445-L449 VanDerWaalsContact O-CG 3.25Å; T445-L449 WeakPolarHBondContact O-CG 3.43Å; T445-L449 PolarHBondContact O-N 3.31Å; T445-L449 VanDerWaalsContact O-N 3.1Å
446G76.8Confident78Confident1 Ų121.1 Ų21.11%0.0112%0.116CC..Hα-helixtrans-63.3-48.8-178.700000112.2I187 S443 L448 L449 A450I187-G446 WeakPolarHBondContact CD1-O 3.24Å; S443-G446 PolarHBondContact O-N 3.19Å; S443-G446 VanDerWaalsContact O-N 3.09Å; G446-L448 VanDerWaalsContact C-N 3.33Å; G446-L448 PolarHBondContact O-N 3.18Å; G446-L449 WeakPolarHBondContact O-CB 3.46Å; G446-L449 PolarHBondContact O-N 3Å; G446-A450 PolarHBondContact O-N 2.88Å
447I80.9Confident78.1Confident2 Ų221.8 Ų21.81%0.0112%0.118CC..Hα-helixtrans-57.9-48179.5-61.8160.8000110.4I191 T248 V251 A440 I441 S443 L449 A450 V451I191-I447 HydrophobicContact CD1-CG1 4.27Å; T248-I447 HydrophobicContact CG2-CD1 3.97Å; T248-I447 HydrophobicContact CG2-CG1 4.43Å; V251-I447 HydrophobicContact CG1-CG2 4.46Å; A440-I447 HydrophobicContact CB-CD1 3.47Å; A440-I447 VanDerWaalsContact CB-CD1 3.47Å; I441-I447 WeakPolarHBondContact O-CD1 3.48Å; S443-I447 WeakPolarHBondContact O-CG1 3.42Å; S443-I447 PolarHBondContact O-N 3.41Å; S443-I447 VanDerWaalsContact O-N 3.08Å; I447-L449 VanDerWaalsContact C-N 3.32Å; I447-L449 PolarHBondContact O-N 3Å; I447-A450 PolarHBondContact O-N 3.14Å; I447-V451 HydrophobicContact CG2-CG2 4.09Å; I447-V451 WeakPolarHBondContact O-CG2 3.28Å; I447-V451 PolarHBondContact O-N 2.81Å
448L81.4Confident78.4Confident2 Ų225.8 Ų25.81%0.0114%0.135CC..Hα-helixtrans-57-43.9178-88.4160.8000112.8V255 L431 S432 G444 T445 G446 T452V255-L448 HydrophobicContact CB-CD2 4.31Å; V255-L448 HydrophobicContact CG1-CD2 3.84Å; V255-L448 HydrophobicContact CG2-CD2 3.39Å; V255-L448 HydrophobicContact CG2-CG 4.18Å; L431-L448 HydrophobicContact CB-CD1 4.04Å; L431-L448 HydrophobicContact CB-CD2 4Å; L431-L448 HydrophobicContact CD1-CD2 4.31Å; S432-L448 VanDerWaalsContact N-CD1 3.31Å; G444-L448 PolarHBondContact O-N 2.84Å; T445-L448 PolarHBondContact O-N 3.24Å; G446-L448 VanDerWaalsContact C-N 3.33Å; G446-L448 PolarHBondContact O-N 3.18Å; L448-T452 VanDerWaalsContact O-CB 3.3Å; L448-T452 WeakPolarHBondContact O-CB 3.46Å; L448-T452 PolarHBondContact O-N 3.42Å; L448-T452 PolarHBondContact O-OG1 2.9Å
449L81.8Confident78.5Confident3 Ų324 Ų242%0.01613%0.125CC..Hα-helixtrans-61.3-49.7176.7-69.3175.9000110.8I187 N288 I291 I292 T445 G446 I447 T452 I453I187-L449 HydrophobicContact CD1-CB 4.43Å; N288-L449 HydrophobicContact CB-CD2 3.58Å; N288-L449 PolarHBondContact ND2-O 3.23Å; I291-L449 HydrophobicContact CB-CD2 4.25Å; I291-L449 HydrophobicContact CD1-CD2 4.22Å; I291-L449 HydrophobicContact CG2-CD2 4.41Å; I292-L449 HydrophobicContact CD1-CD2 4.05Å; I292-L449 HydrophobicContact CG1-CD1 4.05Å; I292-L449 HydrophobicContact CG1-CD2 3.59Å; I292-L449 HydrophobicContact CG1-CG 4.5Å; T445-L449 VanDerWaalsContact O-CG 3.25Å; T445-L449 WeakPolarHBondContact O-CG 3.43Å; T445-L449 PolarHBondContact O-N 3.31Å; T445-L449 VanDerWaalsContact O-N 3.1Å; G446-L449 WeakPolarHBondContact O-CB 3.46Å; G446-L449 PolarHBondContact O-N 3Å; I447-L449 VanDerWaalsContact C-N 3.32Å; I447-L449 PolarHBondContact O-N 3Å; L449-T452 PolarHBondContact O-N 2.87Å; L449-I453 WeakPolarHBondContact O-CB 3.35Å; L449-I453 WeakPolarHBondContact O-CD1 3.31Å; L449-I453 WeakPolarHBondContact O-CG1 3.5Å; L449-I453 PolarHBondContact O-N 2.69Å
450A84.4Confident78.8Confident5 Ų526.2 Ų26.24%0.04113%0.131CC..Hα-helixtrans-60.6-48.9-179.400000112.1I187 G446 I447 T452 I453 I454I187-A450 HydrophobicContact CB-CB 4.12Å; I187-A450 HydrophobicContact CD1-CB 4.35Å; I187-A450 HydrophobicContact CG2-CB 3.8Å; G446-A450 PolarHBondContact O-N 2.88Å; I447-A450 PolarHBondContact O-N 3.14Å; A450-T452 VanDerWaalsContact C-N 3.33Å; A450-T452 PolarHBondContact O-N 3.48Å; A450-I453 PolarHBondContact O-N 3.12Å; A450-I454 WeakPolarHBondContact O-CB 3.27Å; A450-I454 VanDerWaalsContact O-CG1 3.24Å; A450-I454 WeakPolarHBondContact O-CG1 3.26Å; A450-I454 PolarHBondContact O-N 2.66Å
451V85.4Confident79Confident4 Ų429.2 Ų29.22%0.02414%0.142CC..Hα-helixtrans-58.5-48178.7-178.10000110.8F252 V255 I256 I447 I453 I454 Y455F252-V451 HydrophobicContact CD2-CB 4.35Å; F252-V451 HydrophobicContact CD2-CG1 4.42Å; F252-V451 HydrophobicContact CD2-CG2 3.18Å; F252-V451 HydrophobicContact CE2-CB 4.24Å; F252-V451 HydrophobicContact CE2-CG1 4.23Å; F252-V451 HydrophobicContact CE2-CG2 3.44Å; F252-V451 VanDerWaalsContact CE2-CG2 3.44Å; F252-V451 HydrophobicContact CG-CG2 4.09Å; V255-V451 HydrophobicContact CB-CG1 4.1Å; V255-V451 HydrophobicContact CG1-CB 3.89Å; V255-V451 HydrophobicContact CG1-CG1 3.6Å; V255-V451 HydrophobicContact CG1-CG2 4.46Å; I256-V451 HydrophobicContact CD1-CG1 4.47Å; I256-V451 HydrophobicContact CG1-CG1 3.69Å; I447-V451 HydrophobicContact CG2-CG2 4.09Å; I447-V451 WeakPolarHBondContact O-CG2 3.28Å; I447-V451 PolarHBondContact O-N 2.81Å; V451-I453 PolarHBondContact O-N 3.44Å; V451-I454 PolarHBondContact O-N 3.33Å; V451-Y455 WeakPolarHBondContact O-CB 3.31Å; V451-Y455 PolarHBondContact O-N 3.2Å
452T82.3Confident79.6Confident4 Ų431.7 Ų31.73%0.02516%0.158CC..Hα-helixtrans-69.6-37-174.4-54.90000111.4N288 L448 L449 A450 Y455 Q456N288-T452 VanDerWaalsContact ND2-CB 3.32Å; N288-T452 WeakPolarHBondContact ND2-CB 3.41Å; N288-T452 WeakPolarHBondContact OD1-CB 3.32Å; N288-T452 WeakPolarHBondContact OD1-CG2 3.34Å; N288-T452 PolarHBondContact OD1-OG1 3.38Å; L448-T452 VanDerWaalsContact O-CB 3.3Å; L448-T452 WeakPolarHBondContact O-CB 3.46Å; L448-T452 PolarHBondContact O-N 3.42Å; L448-T452 PolarHBondContact O-OG1 2.9Å; L449-T452 PolarHBondContact O-N 2.87Å; A450-T452 VanDerWaalsContact C-N 3.33Å; A450-T452 PolarHBondContact O-N 3.48Å; T452-Y455 PolarHBondContact O-N 3.45Å; T452-Q456 WeakPolarHBondContact O-CB 3.44Å; T452-Q456 VanDerWaalsContact O-CG 3.25Å; T452-Q456 WeakPolarHBondContact O-CG 3.38Å; T452-Q456 PolarHBondContact O-N 3.32Å
453I84.1Confident80.4Confident7 Ų736.1 Ų36.14%0.03618%0.175CC..Hα-helixtrans-62.6-51173.4-68.7162.1000109.7S180 I183 A184 L449 A450 V451 Y455 Q456 Y457S180-I453 WeakPolarHBondContact O-CD1 3.12Å; I183-I453 HydrophobicContact CG2-CD1 4.42Å; A184-I453 HydrophobicContact CB-CB 4.19Å; A184-I453 HydrophobicContact CB-CD1 4.32Å; A184-I453 HydrophobicContact CB-CG2 3.88Å; L449-I453 WeakPolarHBondContact O-CB 3.35Å; L449-I453 WeakPolarHBondContact O-CD1 3.31Å; L449-I453 WeakPolarHBondContact O-CG1 3.5Å; L449-I453 PolarHBondContact O-N 2.69Å; A450-I453 PolarHBondContact O-N 3.12Å; V451-I453 PolarHBondContact O-N 3.44Å; I453-Y455 VanDerWaalsContact C-N 3.26Å; I453-Y455 PolarHBondContact O-N 3.1Å; I453-Q456 WeakPolarHBondContact O-CB 3.44Å; I453-Q456 PolarHBondContact O-N 3.04Å; I453-Q456 VanDerWaalsContact O-N 3.13Å; I453-Y457 HydrophobicContact CG2-CD2 3.73Å; I453-Y457 HydrophobicContact CG2-CE2 3.85Å; I453-Y457 VanDerWaalsContact O-CD2 3.31Å; I453-Y457 WeakPolarHBondContact O-CD2 3.15Å; I453-Y457 PolarHBondContact O-N 3.47Å
454I86.3Confident80.4Confident80 Ų8037 Ų3741%0.4118%0.176SC..Hα-helixtrans-58.3-41.5179.4-67.9167000110.9A450 V451 Y457 F458A450-I454 WeakPolarHBondContact O-CB 3.27Å; A450-I454 VanDerWaalsContact O-CG1 3.24Å; A450-I454 WeakPolarHBondContact O-CG1 3.26Å; A450-I454 PolarHBondContact O-N 2.66Å; V451-I454 PolarHBondContact O-N 3.33Å; I454-Y457 WeakPolarHBondContact O-CB 3.29Å; I454-Y457 PolarHBondContact O-N 3.49Å; I454-F458 WeakPolarHBondContact O-CB 3.36Å; I454-F458 PolarHBondContact O-N 3.35Å
455Y83.8Confident80.4Confident61 Ų6142.2 Ų42.224%0.23920%0.2CC..Hα-helixtrans-66-41.7177.4-170.1-86.3000112.6Q259 V451 T452 I453 Y457 F458 E459Q259-Y455 HydrophobicContact CB-CD1 4.31Å; Q259-Y455 HydrophobicContact CB-CD2 4.42Å; Q259-Y455 HydrophobicContact CB-CE1 4.36Å; Q259-Y455 HydrophobicContact CB-CE2 4.47Å; Q259-Y455 HydrophobicContact CB-CG 4.32Å; Q259-Y455 HydrophobicContact CG-CD1 3.22Å; Q259-Y455 HydrophobicContact CG-CD2 4.05Å; Q259-Y455 HydrophobicContact CG-CE1 3.53Å; Q259-Y455 HydrophobicContact CG-CE2 4.31Å; Q259-Y455 HydrophobicContact CG-CG 3.5Å; Q259-Y455 VanDerWaalsContact CG-CG 3.5Å; V451-Y455 WeakPolarHBondContact O-CB 3.31Å; V451-Y455 PolarHBondContact O-N 3.2Å; T452-Y455 PolarHBondContact O-N 3.45Å; I453-Y455 VanDerWaalsContact C-N 3.26Å; I453-Y455 PolarHBondContact O-N 3.1Å; Y455-Y457 VanDerWaalsContact C-N 3.3Å; Y455-Y457 PolarHBondContact O-N 2.86Å; Y455-F458 PolarHBondContact O-N 3.11Å; Y455-E459 PolarHBondContact O-N 3.37Å
456Q79.9Confident80.1Confident52 Ų5244.9 Ų44.924%0.24322%0.219CC..Hα-helixtrans-59.7-43.6174.1-75.9178-16.600111.3S287 T452 I453 E459 I460S287-Q456 PolarHBondContact OG-NE2 2.77Å; S287-Q456 VanDerWaalsContact OG-NE2 3.11Å; T452-Q456 WeakPolarHBondContact O-CB 3.44Å; T452-Q456 VanDerWaalsContact O-CG 3.25Å; T452-Q456 WeakPolarHBondContact O-CG 3.38Å; T452-Q456 PolarHBondContact O-N 3.32Å; I453-Q456 WeakPolarHBondContact O-CB 3.44Å; I453-Q456 PolarHBondContact O-N 3.04Å; I453-Q456 VanDerWaalsContact O-N 3.13Å; Q456-E459 PolarHBondContact O-N 3.5Å; Q456-I460 VanDerWaalsContact O-CG1 3.32Å; Q456-I460 WeakPolarHBondContact O-CG1 3.41Å; Q456-I460 PolarHBondContact O-N 3.2Å
457Y80.6Confident79.5Confident31 Ų3151.2 Ų51.212%0.12225%0.249CC..Hα-helixtrans-61.9-44.3174.6-94.5-93.6000112.6L175 G176 S177 L181 I453 I454 Y455 E459 I460 F461L175-Y457 VanDerWaalsContact C-CE1 3.47Å; L175-Y457 HydrophobicContact CB-CD1 4.13Å; L175-Y457 HydrophobicContact CB-CE1 3.92Å; L175-Y457 WeakPolarHBondContact O-CE1 3.49Å; L175-Y457 VanDerWaalsContact O-CZ 3.29Å; L175-Y457 PolarHBondContact O-OH 3.33Å; G176-Y457 WeakPolarHBondContact CA-OH 3.32Å; S177-Y457 PolarHBondContact N-OH 3.42Å; S177-Y457 PolarHBondContact O-OH 3.26Å; L181-Y457 HydrophobicContact CD1-CE1 4.17Å; I453-Y457 HydrophobicContact CG2-CD2 3.73Å; I453-Y457 HydrophobicContact CG2-CE2 3.85Å; I453-Y457 VanDerWaalsContact O-CD2 3.31Å; I453-Y457 WeakPolarHBondContact O-CD2 3.15Å; I453-Y457 PolarHBondContact O-N 3.47Å; I454-Y457 WeakPolarHBondContact O-CB 3.29Å; I454-Y457 PolarHBondContact O-N 3.49Å; Y455-Y457 VanDerWaalsContact C-N 3.3Å; Y455-Y457 PolarHBondContact O-N 2.86Å; Y457-E459 VanDerWaalsContact C-N 3.3Å; Y457-E459 PolarHBondContact O-N 3.34Å; Y457-I460 PolarHBondContact O-N 3.19Å; Y457-F461 VanDerWaalsContact O-CB 3.28Å; Y457-F461 WeakPolarHBondContact O-CB 3.46Å; Y457-F461 PolarHBondContact O-N 3.02Å
458F83.4Confident78.6Confident121 Ų12155.3 Ų55.353%0.53127%0.274SS..Hα-helixtrans-59.8-40.8175.2174.7-101.1000111.8I454 Y455 F461 V462I454-F458 WeakPolarHBondContact O-CB 3.36Å; I454-F458 PolarHBondContact O-N 3.35Å; Y455-F458 PolarHBondContact O-N 3.11Å; F458-F461 WeakPolarHBondContact O-CB 3.03Å; F458-F461 PolarHBondContact O-N 2.87Å; F458-V462 HydrophobicContact CD1-CG2 4.3Å; F458-V462 HydrophobicContact CD2-CG2 4.34Å; F458-V462 HydrophobicContact CE1-CG2 3.84Å; F458-V462 HydrophobicContact CE2-CG2 3.88Å; F458-V462 HydrophobicContact CZ-CG2 3.61Å; F458-V462 WeakPolarHBondContact O-CG2 3.43Å; F458-V462 PolarHBondContact O-N 3.12Å
459E79.2Confident77.2Confident38 Ų3857.5 Ų57.518%0.17830%0.297CS..Hα-helixtrans-69.5-38.4178-167.3-176.9137.900112.6K282 Y455 Q456 Y457 F461 V462 K463K282-E459 WeakPolarHBondContact CE-OE1 3.31Å; K282-E459 VanDerWaalsContact CE-OE2 3.27Å; K282-E459 WeakPolarHBondContact CE-OE2 3.35Å; K282-E459 IonicContact NZ-OE1 2.92Å; K282-E459 PolarHBondContact NZ-OE1 3.09Å; K282-E459 IonicContact NZ-OE2 3.46Å; K282-E459 PolarHBondContact NZ-OE2 3.32Å; Y455-E459 PolarHBondContact O-N 3.37Å; Q456-E459 PolarHBondContact O-N 3.5Å; Y457-E459 VanDerWaalsContact C-N 3.3Å; Y457-E459 PolarHBondContact O-N 3.34Å; E459-F461 VanDerWaalsContact C-N 3.3Å; E459-V462 PolarHBondContact O-N 3.08Å; E459-K463 HydrophobicContact CG-CD 4.33Å; E459-K463 WeakPolarHBondContact O-CB 3.46Å; E459-K463 WeakPolarHBondContact O-CG 3.41Å; E459-K463 PolarHBondContact O-N 3.26Å; E459-K463 IonicContact OE1-NZ 2.89Å; E459-K463 PolarHBondContact OE1-NZ 3.06Å
460I77.4Confident75.6Confident67 Ų6760.6 Ų60.634%0.34432%0.318SS..Hα-helixtrans-61.3-44.5172.2-67.5165.1000109.6Q456 Y457 K463 E464Q456-I460 VanDerWaalsContact O-CG1 3.32Å; Q456-I460 WeakPolarHBondContact O-CG1 3.41Å; Q456-I460 PolarHBondContact O-N 3.2Å; Y457-I460 PolarHBondContact O-N 3.19Å; I460-K463 PolarHBondContact O-N 2.95Å; I460-E464 HydrophobicContact CG2-CG 4.49Å; I460-E464 PolarHBondContact O-N 2.9Å
461F78.5Confident73.4Confident73 Ų7366.3 Ų66.332%0.3235%0.346SS..Hα-helixtrans-57.8-50.1176.8-173.6-73.1000111.4F28 V32 Y457 F458 E459 K463 E464 Q465F28-F461 HydrophobicContact CE1-CD2 4.07Å; F28-F461 HydrophobicContact CE1-CE1 4.12Å; F28-F461 AromaticContact CE1-CE2 3.48Å; F28-F461 HydrophobicContact CE1-CE2 3.48Å; F28-F461 VanDerWaalsContact CE1-CE2 3.48Å; F28-F461 AromaticContact CE1-CZ 3.5Å; F28-F461 HydrophobicContact CE1-CZ 3.5Å; F28-F461 VanDerWaalsContact CE1-CZ 3.5Å; F28-F461 HydrophobicContact CE2-CD2 4.15Å; F28-F461 HydrophobicContact CE2-CE2 4.38Å; F28-F461 HydrophobicContact CE2-CG 4.39Å; F28-F461 HydrophobicContact CZ-CB 4.48Å; F28-F461 AromaticContact CZ-CD1 3.93Å; F28-F461 HydrophobicContact CZ-CD1 3.93Å; F28-F461 AromaticContact CZ-CD2 3.29Å; F28-F461 HydrophobicContact CZ-CD2 3.29Å; F28-F461 AromaticContact CZ-CE1 3.86Å; F28-F461 HydrophobicContact CZ-CE1 3.86Å; F28-F461 AromaticContact CZ-CE2 3.2Å; F28-F461 HydrophobicContact CZ-CE2 3.2Å; F28-F461 AromaticContact CZ-CG 3.64Å; F28-F461 HydrophobicContact CZ-CG 3.64Å; F28-F461 AromaticContact CZ-CZ 3.5Å; F28-F461 HydrophobicContact CZ-CZ 3.5Å; F28-F461 VanDerWaalsContact CZ-CZ 3.5Å; V32-F461 HydrophobicContact CG2-CE2 4.3Å; Y457-F461 VanDerWaalsContact O-CB 3.28Å; Y457-F461 WeakPolarHBondContact O-CB 3.46Å; Y457-F461 PolarHBondContact O-N 3.02Å; F458-F461 WeakPolarHBondContact O-CB 3.03Å; F458-F461 PolarHBondContact O-N 2.87Å; E459-F461 VanDerWaalsContact C-N 3.3Å; F461-K463 PolarHBondContact O-N 3.28Å; F461-E464 PolarHBondContact O-N 2.94Å; F461-Q465 VanDerWaalsContact O-CB 3.27Å; F461-Q465 WeakPolarHBondContact O-CB 3.47Å; F461-Q465 PolarHBondContact O-N 3.1Å
462V80.6Confident71.2Confident62 Ų6267.8 Ų67.838%0.37636%0.362SS..Hα-helixtrans-64.8-40179.1170.80000111.4F458 E459 Q465 S466F458-V462 HydrophobicContact CD1-CG2 4.3Å; F458-V462 HydrophobicContact CD2-CG2 4.34Å; F458-V462 HydrophobicContact CE1-CG2 3.84Å; F458-V462 HydrophobicContact CE2-CG2 3.88Å; F458-V462 HydrophobicContact CZ-CG2 3.61Å; F458-V462 WeakPolarHBondContact O-CG2 3.43Å; F458-V462 PolarHBondContact O-N 3.12Å; E459-V462 PolarHBondContact O-N 3.08Å; V462-Q465 PolarHBondContact O-N 3.42Å; V462-S466 VanDerWaalsContact O-CB 3.3Å; V462-S466 WeakPolarHBondContact O-CB 3.43Å; V462-S466 PolarHBondContact O-N 3.45Å; V462-S466 PolarHBondContact O-OG 3.1Å
463K77.4Confident69.1Low102 Ų10271.3 Ų71.344%0.44339%0.391SS..Hα-helixtrans-63.3-51.9176.5-80.4172.7170.9165.60111.6E459 I460 F461 Q465 S466 E467E459-K463 HydrophobicContact CG-CD 4.33Å; E459-K463 WeakPolarHBondContact O-CB 3.46Å; E459-K463 WeakPolarHBondContact O-CG 3.41Å; E459-K463 PolarHBondContact O-N 3.26Å; E459-K463 IonicContact OE1-NZ 2.89Å; E459-K463 PolarHBondContact OE1-NZ 3.06Å; I460-K463 PolarHBondContact O-N 2.95Å; F461-K463 PolarHBondContact O-N 3.28Å; K463-Q465 VanDerWaalsContact C-N 3.31Å; K463-Q465 PolarHBondContact O-N 2.86Å; K463-S466 PolarHBondContact O-N 2.9Å; K463-S466 VanDerWaalsContact O-N 3.16Å; K463-S466 PolarHBondContact O-OG 3.29Å; K463-E467 WeakPolarHBondContact O-CG 3.35Å; K463-E467 PolarHBondContact O-N 3.42Å
464E74.2Confident66.9Low47 Ų4777.6 Ų77.622%0.2242%0.424CS..Hα-helixtrans-61.2-40.2177.6-72.9-163.515900111.5F28 K31 L175 I460 F461 S466 E467 V468F28-E464 HydrophobicContact CD2-CB 4.02Å; F28-E464 VanDerWaalsContact CD2-OE2 3.29Å; F28-E464 WeakPolarHBondContact CD2-OE2 3.35Å; F28-E464 HydrophobicContact CE2-CB 3.96Å; K31-E464 IonicContact NZ-OE1 3.43Å; K31-E464 PolarHBondContact NZ-OE1 3.08Å; K31-E464 IonicContact NZ-OE2 3.77Å; L175-E464 WeakPolarHBondContact CD2-OE2 3.36Å; I460-E464 HydrophobicContact CG2-CG 4.49Å; I460-E464 PolarHBondContact O-N 2.9Å; F461-E464 PolarHBondContact O-N 2.94Å; E464-S466 PolarHBondContact O-N 3.34Å; E464-E467 PolarHBondContact O-N 3.09Å; E464-V468 VanDerWaalsContact O-CG2 3.26Å; E464-V468 WeakPolarHBondContact O-CG2 3.18Å; E464-V468 PolarHBondContact O-N 3.29Å
465Q72.4Confident64.5Low110 Ų11080.3 Ų80.351%0.51444%0.439SS..Hα-helixtrans-65.7-37.9176.2-169.7177.94.400112.3F461 V462 K463 V468 G469F461-Q465 VanDerWaalsContact O-CB 3.27Å; F461-Q465 WeakPolarHBondContact O-CB 3.47Å; F461-Q465 PolarHBondContact O-N 3.1Å; V462-Q465 PolarHBondContact O-N 3.42Å; K463-Q465 VanDerWaalsContact C-N 3.31Å; K463-Q465 PolarHBondContact O-N 2.86Å; Q465-V468 PolarHBondContact O-N 3.31Å; Q465-G469 PolarHBondContact O-N 3.22Å
466S71.2Confident62.2Low71 Ų7189.3 Ų89.350%0.49748%0.48SS..Hα-helixtrans-67.7-36.8175.973.80000112.3V462 K463 E464 G469 S470V462-S466 VanDerWaalsContact O-CB 3.3Å; V462-S466 WeakPolarHBondContact O-CB 3.43Å; V462-S466 PolarHBondContact O-N 3.45Å; V462-S466 PolarHBondContact O-OG 3.1Å; K463-S466 PolarHBondContact O-N 2.9Å; K463-S466 VanDerWaalsContact O-N 3.16Å; K463-S466 PolarHBondContact O-OG 3.29Å; E464-S466 PolarHBondContact O-N 3.34Å; S466-G469 PolarHBondContact O-N 3.34Å; S466-S470 VanDerWaalsContact O-CB 3.28Å; S466-S470 WeakPolarHBondContact O-CB 3.36Å; S466-S470 PolarHBondContact O-N 3.49Å
467E65.1Low61.3Low134 Ų13491.2 Ų91.263%0.62649%0.491SS*.Hα-helixtrans-66.8-41.7174.2-72.9179.7179.700111.2K463 E464 S470 M471K463-E467 WeakPolarHBondContact O-CG 3.35Å; K463-E467 PolarHBondContact O-N 3.42Å; E464-E467 PolarHBondContact O-N 3.09Å; E467-S470 PolarHBondContact O-N 3.2Å; E467-M471 PolarHBondContact O-N 2.94Å
468V60.5Low60.3Low88 Ų8894.3 Ų94.353%0.53351%0.511SS..Hα-helixtrans-66.7-41174.4173.80000111.4E464 Q465 M471 G472E464-V468 VanDerWaalsContact O-CG2 3.26Å; E464-V468 WeakPolarHBondContact O-CG2 3.18Å; E464-V468 PolarHBondContact O-N 3.29Å; Q465-V468 PolarHBondContact O-N 3.31Å; V468-M471 PolarHBondContact O-N 2.85Å; V468-G472 PolarHBondContact O-N 3.45Å
469G53.2Low59Low48 Ų4892.8 Ų92.850%0.49551%0.51SS..Hα-helixtrans-65.3-37.6175.400000112.7Q465 S466 G472 A473Q465-G469 PolarHBondContact O-N 3.22Å; S466-G469 PolarHBondContact O-N 3.34Å; G469-G472 PolarHBondContact O-N 3.5Å; G469-A473 PolarHBondContact O-N 3Å
470S47.7Very low57.8Low67 Ų6796.1 Ų96.147%0.46953%0.529SS..Hα-helixtrans-69.6-32.8172.8-171.70000112.4S466 E467 L474S466-S470 VanDerWaalsContact O-CB 3.28Å; S466-S470 WeakPolarHBondContact O-CB 3.36Å; S466-S470 PolarHBondContact O-N 3.49Å; E467-S470 PolarHBondContact O-N 3.2Å; S470-L474 PolarHBondContact O-N 2.98Å
471M39.1Very low56.6Low125 Ų12597.9 Ų97.962%0.61654%0.541SS*.Hα-helixtrans-69.9-34.4171.1-106.7175.274.700112.1E467 V468 L474 L475E467-M471 PolarHBondContact O-N 2.94Å; V468-M471 PolarHBondContact O-N 2.85Å; M471-L474 PolarHBondContact O-N 2.92Å; M471-L475 PolarHBondContact O-N 3.28Å
472G37.7Very low55.1Low35 Ų3599.5 Ų99.536%0.36156%0.556SS.*Hα-helixtrans-63.8-40.1172.300000112.6V468 G469 L474 L475 F476V468-G472 PolarHBondContact O-N 3.45Å; G469-G472 PolarHBondContact O-N 3.5Å; G472-L474 VanDerWaalsContact C-N 3.3Å; G472-L474 PolarHBondContact O-N 2.97Å; G472-L475 PolarHBondContact O-N 3.09Å; G472-F476 WeakPolarHBondContact O-CD2 3.49Å
473A38.3Very low53.3Low78 Ų78102.2 Ų102.265%0.64557%0.569SS**Hα-helixtrans-73.8-17176.700000114.3G469G469-A473 PolarHBondContact O-N 3Å
474L37.8Very low51.4Low139 Ų139102.2 Ų102.273%0.72858%0.578SS**Hα-helixtrans-89.2-12.6174.3-84.2162000113.2S470 M471 G472S470-L474 PolarHBondContact O-N 2.98Å; M471-L474 PolarHBondContact O-N 2.92Å; G472-L474 VanDerWaalsContact C-N 3.3Å; G472-L474 PolarHBondContact O-N 2.97Å
475L37Very low49.5Very low138 Ų138106.8 Ų106.872%0.72361%0.608SS**  trans-106.38.5-178.2-78.5169.7000113.6M471 G472M471-L475 PolarHBondContact O-N 3.28Å; G472-L475 PolarHBondContact O-N 3.09Å
476F34.5Very low47.5Very low249 Ų249106.5 Ų106.5100%1.09262%0.617SS**  trans-122.40172.6-83.4-74.5000112.2G472G472-F476 WeakPolarHBondContact O-CD2 3.49Å

Retrieved 476 of 476 residues in 198.4 ms (Link to these results)