EMC3_PONAB Loading...

ER membrane protein complex subunit 3

Part of the endoplasmic reticulum membrane protein complex (EMC) that enables the energy-independent insertion into endoplasmic reticulum membranes of newly synthesized membrane proteins. Preferentially accommodates proteins with transmembrane domains that are weakly hydrophobic or contain destabilizing features such as charged and aromatic residues. Involved in the cotranslational insertion of multi-pass membrane proteins in which stop-transfer membrane-anchor sequences become ER membrane spanning helices. It is also required for the post-translational insertion of tail-anchored/TA proteins in endoplasmic reticulum membranes. By mediating the proper cotranslational insertion of N-terminal transmembrane domains in an N-exo topology, with translocated N-terminus in the lumen of the ER, controls the topology of multi-pass membrane proteins like the G protein-coupled receptors. By regulating the insertion of various proteins in membranes, it is indirectly involved in many cellular processes.

AlphaFold DB , UniProt , Accession Q5R7C1, Species PONAB (Pongo abelii, Sumatran orangutan), Gene EMC3, Length 261 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
1M40.8Very low67.1Low243 Ų243113.5 Ų113.5100%1.19766%0.664SS**  01090-68.2176.2179.700106.5G3M1-G3 PolarHBondContact O-N 3.01Å; M1-G3 VanDerWaalsContact O-N 3.08Å
2A54.6Low68.7Low106 Ų106105.8 Ų105.888%0.87662%0.617SS**  trans-63.6111.217400000106.8
3G52Low69.9Low53 Ų53110.5 Ų110.555%0.54662%0.618SS.*  trans-57160.5170.200000109.9M1 E5M1-G3 PolarHBondContact O-N 3.01Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-E5 PolarHBondContact O-N 3.14Å
4P56.3Low71.1Confident130 Ų130110.5 Ų110.584%0.84462%0.615SS**  trans-48.3129.4-177.618.7-30.3000110.2L6P4-L6 PolarHBondContact O-N 3.28Å
5E65.7Low72.3Confident154 Ų154115.7 Ų115.772%0.7262%0.622SS**  trans-57.2112.4179.2-73.4-163.5142.400108.4G3 L7G3-E5 PolarHBondContact O-N 3.14Å; E5-L7 PolarHBondContact O-N 2.97Å
6L69.4Low73.3Confident83 Ų83108.9 Ų108.944%0.43559%0.586SS.*  trans-64.2109.9178.4-154.1118.9000107.3P4 L8 L161 W165P4-L6 PolarHBondContact O-N 3.28Å; L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 PolarHBondContact O-N 3.19Å; L6-L161 HydrophobicContact CD1-CD1 4.26Å; L6-W165 HydrophobicContact CB-CH2 4.1Å; L6-W165 HydrophobicContact CB-CZ2 3.55Å; L6-W165 WeakPolarHBondContact O-CH2 3.28Å
7L73.8Confident74.3Confident161 Ų161104 Ų10484%0.84356%0.56SS**  trans-76.4107.3176.2-65.9177.3000108.1E5E5-L7 PolarHBondContact O-N 2.97Å
8L74.3Confident75.3Confident50 Ų50102.8 Ų102.826%0.26255%0.553SS.*  trans-76.1134.4171.9-75.4174.1000109.9L6 S10 V136 W165L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 PolarHBondContact O-N 3.19Å; L8-S10 PolarHBondContact O-N 3.23Å; L8-V136 HydrophobicContact CD2-CB 4.17Å; L8-V136 HydrophobicContact CD2-CG1 4.27Å; L8-V136 VanDerWaalsContact CD2-O 3.29Å; L8-V136 WeakPolarHBondContact CD2-O 3.47Å; L8-W165 HydrophobicContact CD1-CE3 4.24Å; L8-W165 HydrophobicContact CD1-CH2 4.17Å; L8-W165 HydrophobicContact CD1-CZ3 3.4Å; L8-W165 VanDerWaalsContact CD1-CZ3 3.4Å; L8-W165 HydrophobicContact CG-CH2 4.2Å; L8-W165 HydrophobicContact CG-CZ3 3.82Å
9D81.7Confident76.1Confident101 Ų10199.5 Ų99.554%0.5454%0.537SS..  trans-59.5125.2166-177.2-3.4000109N11 I12D9-N11 PolarHBondContact O-N 3.03Å; D9-N11 VanDerWaalsContact O-N 3.14Å; D9-N11 WeakPolarHBondContact OD1-CB 3.45Å; D9-N11 PolarHBondContact OD1-N 2.96Å; D9-N11 PolarHBondContact OD1-ND2 3.22Å; D9-N11 VanDerWaalsContact OD1-ND2 3.15Å; D9-N11 PolarHBondContact OD2-ND2 2.96Å; D9-I12 WeakPolarHBondContact O-CB 3.09Å; D9-I12 WeakPolarHBondContact O-CG2 3.42Å; D9-I12 PolarHBondContact O-N 3.08Å; D9-I12 VanDerWaalsContact O-N 3.08Å
10S83Confident76.9Confident85 Ų8594.7 Ų94.759%0.59451%0.512SS*.THydrogen-bonded Turntrans-58.8-27179.2-68.80000112.5L8 I12 R13L8-S10 PolarHBondContact O-N 3.23Å; S10-I12 PolarHBondContact O-N 3.31Å; S10-R13 WeakPolarHBondContact O-CB 3.41Å; S10-R13 PolarHBondContact O-N 3.15Å
11N86.5Confident77.5Confident83 Ų8392.1 Ų92.144%0.44450%0.499SS..Hα-helixtrans-60.7-27.7177.5-68.9-39.1000112.8D9 R13 L14 W15D9-N11 PolarHBondContact O-N 3.03Å; D9-N11 VanDerWaalsContact O-N 3.14Å; D9-N11 WeakPolarHBondContact OD1-CB 3.45Å; D9-N11 PolarHBondContact OD1-N 2.96Å; D9-N11 PolarHBondContact OD1-ND2 3.22Å; D9-N11 VanDerWaalsContact OD1-ND2 3.15Å; D9-N11 PolarHBondContact OD2-ND2 2.96Å; N11-R13 PolarHBondContact O-N 3.23Å; N11-R13 VanDerWaalsContact O-N 3.12Å; N11-L14 PolarHBondContact O-N 3.12Å; N11-W15 PolarHBondContact O-N 3.08Å
12I85.9Confident80Confident20 Ų2084.2 Ų84.210%0.10346%0.461CS..Hα-helixtrans-59.2-29178.9-156.2160.4000112.5D9 S10 V16 V17 F135 V136D9-I12 WeakPolarHBondContact O-CB 3.09Å; D9-I12 WeakPolarHBondContact O-CG2 3.42Å; D9-I12 PolarHBondContact O-N 3.08Å; D9-I12 VanDerWaalsContact O-N 3.08Å; S10-I12 PolarHBondContact O-N 3.31Å; I12-V16 HydrophobicContact CG1-CB 3.93Å; I12-V16 HydrophobicContact CG1-CG2 3.71Å; I12-V16 WeakPolarHBondContact O-CA 3.34Å; I12-V16 VanDerWaalsContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CB 3.29Å; I12-V16 PolarHBondContact O-N 2.97Å; I12-V17 PolarHBondContact O-N 2.9Å; I12-V17 VanDerWaalsContact O-N 3.13Å; I12-F135 HydrophobicContact CD1-CB 4.24Å; I12-F135 HydrophobicContact CD1-CD1 3.72Å; I12-F135 HydrophobicContact CD1-CG 4.43Å; I12-F135 HydrophobicContact CG1-CD1 4.46Å; I12-V136 WeakPolarHBondContact CD1-O 3.23Å
13R84.3Confident81.7Confident168 Ų16882.4 Ų82.463%0.63444%0.435SS*.Iπ-helixtrans-67.5-38.5178.3-62.8-178-179-177.81.8111.6S10 N11 V17 L18S10-R13 WeakPolarHBondContact O-CB 3.41Å; S10-R13 PolarHBondContact O-N 3.15Å; N11-R13 PolarHBondContact O-N 3.23Å; N11-R13 VanDerWaalsContact O-N 3.12Å; R13-V17 WeakPolarHBondContact O-CB 3.43Å; R13-L18 WeakPolarHBondContact O-CB 3.35Å; R13-L18 PolarHBondContact O-N 3.29Å
14L87Confident83.4Confident110 Ų11080.1 Ų80.158%0.57641%0.411SS*.Iπ-helixtrans-84-33.1-179.3-69.5172.1000112.3N11 L18 P19N11-L14 PolarHBondContact O-N 3.12Å; L14-L18 HydrophobicContact CD2-CD2 4.22Å; L14-P19 VanDerWaalsContact O-CD 3.27Å; L14-P19 WeakPolarHBondContact O-CD 3.49Å
15W88.8Confident85Confident189 Ų18976.3 Ų76.372%0.71638%0.381SS*.Iπ-helixtrans-96.4-20.5-174-69.1106.2000114.9N11 P19N11-W15 PolarHBondContact O-N 3.08Å; W15-P19 WeakPolarHBondContact O-CG 3.45Å
16V88.7Confident86.2Confident7 Ų774.5 Ų74.54%0.04237%0.371CS..Iπ-helixtrans-120.3-55-179.1-176.60000110.8I12 P19 I20 F132 T137I12-V16 HydrophobicContact CG1-CB 3.93Å; I12-V16 HydrophobicContact CG1-CG2 3.71Å; I12-V16 WeakPolarHBondContact O-CA 3.34Å; I12-V16 VanDerWaalsContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CB 3.29Å; I12-V16 PolarHBondContact O-N 2.97Å; V16-P19 WeakPolarHBondContact O-CD 3.31Å; V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 WeakPolarHBondContact O-CB 3.12Å; V16-I20 WeakPolarHBondContact O-CD1 3.49Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.13Å; V16-F132 HydrophobicContact CB-CD1 4.18Å; V16-F132 HydrophobicContact CB-CE1 4.3Å; V16-F132 HydrophobicContact CG1-CB 4.16Å; V16-F132 HydrophobicContact CG1-CD1 3.68Å; V16-F132 HydrophobicContact CG1-CE1 4.18Å; V16-F132 HydrophobicContact CG1-CG 3.95Å; V16-F132 HydrophobicContact CG2-CD1 3.79Å; V16-F132 HydrophobicContact CG2-CE1 3.95Å; V16-T137 HydrophobicContact CG1-CG2 4.05Å
17V91Very high87.1Confident25 Ų2572.6 Ų72.615%0.15236%0.363CS..Iπ-helixtrans-64.4-52.8-175.1174.10000111.5I12 R13 I20 V21 T137 W171I12-V17 PolarHBondContact O-N 2.9Å; I12-V17 VanDerWaalsContact O-N 3.13Å; R13-V17 WeakPolarHBondContact O-CB 3.43Å; V17-I20 PolarHBondContact O-N 2.61Å; V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.22Å; V17-T137 HydrophobicContact CG2-CG2 4.11Å; V17-W171 HydrophobicContact CG1-CZ2 3.59Å
18L91.2Very high87.7Confident83 Ų8365.4 Ų65.444%0.43533%0.328SS..Hα-helixtrans-63.2-46.8-176.617969.4000112.8R13 L14 I20 V21 I22R13-L18 WeakPolarHBondContact O-CB 3.35Å; R13-L18 PolarHBondContact O-N 3.29Å; L14-L18 HydrophobicContact CD2-CD2 4.22Å; L18-I20 VanDerWaalsContact C-N 3.33Å; L18-I20 PolarHBondContact O-N 3.13Å; L18-V21 PolarHBondContact O-N 2.88Å; L18-I22 HydrophobicContact CD1-CD1 3.96Å; L18-I22 HydrophobicContact CD1-CG1 4.27Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.16Å
19P90.6Very high88.3Confident39 Ų3965.2 Ų65.225%0.25333%0.326SS..Hα-helixtrans-61.3-39.8176.3-28.139000112.8L14 W15 V16 I22 I23L14-P19 VanDerWaalsContact O-CD 3.27Å; L14-P19 WeakPolarHBondContact O-CD 3.49Å; W15-P19 WeakPolarHBondContact O-CG 3.45Å; V16-P19 WeakPolarHBondContact O-CD 3.31Å; P19-I22 PolarHBondContact O-N 3.24Å; P19-I23 WeakPolarHBondContact O-CB 3.41Å; P19-I23 VanDerWaalsContact O-CG1 3.25Å; P19-I23 WeakPolarHBondContact O-CG1 3.42Å; P19-I23 PolarHBondContact O-N 3.46Å
20I91.7Very high88.6Confident4 Ų465.4 Ų65.42%0.02133%0.326CS..Hα-helixtrans-61.1-47.5175.9-68.4168.9000110.1V16 V17 L18 I22 I23 T24 I128 F132V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 WeakPolarHBondContact O-CB 3.12Å; V16-I20 WeakPolarHBondContact O-CD1 3.49Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.13Å; V17-I20 PolarHBondContact O-N 2.61Å; L18-I20 VanDerWaalsContact C-N 3.33Å; L18-I20 PolarHBondContact O-N 3.13Å; I20-I22 PolarHBondContact O-N 3.5Å; I20-I23 PolarHBondContact O-N 2.85Å; I20-T24 VanDerWaalsContact O-CB 3.29Å; I20-T24 WeakPolarHBondContact O-CB 3.35Å; I20-T24 PolarHBondContact O-N 2.96Å; I20-T24 PolarHBondContact O-OG1 2.8Å; I20-I128 HydrophobicContact CD1-CD1 4.49Å; I20-I128 HydrophobicContact CG1-CD1 4.29Å; I20-I128 HydrophobicContact CG2-CD1 4.04Å; I20-F132 HydrophobicContact CD1-CD2 4.14Å; I20-F132 HydrophobicContact CG1-CD2 4.22Å; I20-F132 HydrophobicContact CG1-CE2 4.18Å
21V91.2Very high88.5Confident40 Ų4062.3 Ų62.324%0.24230%0.301CS..Hα-helixtrans-60-47.3179.8173.60000111.2V17 L18 T24 F25 W171V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.22Å; L18-V21 PolarHBondContact O-N 2.88Å; V21-T24 PolarHBondContact O-N 3.4Å; V21-F25 WeakPolarHBondContact O-CB 3.45Å; V21-F25 PolarHBondContact O-N 2.94Å; V21-W171 HydrophobicContact CG2-CZ2 3.87Å
22I92.3Very high88.4Confident77 Ų7759 Ų5940%0.39528%0.283SS..Hα-helixtrans-61.9-48.9-179.2-69.1172.6000111.1L18 P19 I20 T24 F25 F26L18-I22 HydrophobicContact CD1-CD1 3.96Å; L18-I22 HydrophobicContact CD1-CG1 4.27Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.16Å; P19-I22 PolarHBondContact O-N 3.24Å; I20-I22 PolarHBondContact O-N 3.5Å; I22-T24 VanDerWaalsContact C-N 3.35Å; I22-T24 PolarHBondContact O-N 2.98Å; I22-F25 WeakPolarHBondContact O-CB 3.45Å; I22-F25 PolarHBondContact O-N 3.13Å; I22-F26 HydrophobicContact CG2-CD2 3.67Å; I22-F26 HydrophobicContact CG2-CE2 3.68Å; I22-F26 VanDerWaalsContact O-CD2 3.27Å; I22-F26 WeakPolarHBondContact O-CD2 3.33Å; I22-F26 PolarHBondContact O-N 3.04Å
23I90.8Very high88.4Confident68 Ų6864.3 Ų64.335%0.34930%0.303SS..Hα-helixtrans-62.4-45.4178.9-69168.4000110.2P19 I20 F25 F26 V27P19-I23 WeakPolarHBondContact O-CB 3.41Å; P19-I23 VanDerWaalsContact O-CG1 3.25Å; P19-I23 WeakPolarHBondContact O-CG1 3.42Å; P19-I23 PolarHBondContact O-N 3.46Å; I20-I23 PolarHBondContact O-N 2.85Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.37Å; I23-F26 PolarHBondContact O-N 3.01Å; I23-V27 HydrophobicContact CG2-CG2 4.15Å; I23-V27 WeakPolarHBondContact O-CB 3.35Å; I23-V27 VanDerWaalsContact O-CG2 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.16Å; I23-V27 PolarHBondContact O-N 2.87Å
24T88.2Confident88.4Confident6 Ų659.1 Ų59.14%0.03729%0.29CS..Hα-helixtrans-59.6-44.1178.8-490000110.5I20 V21 I22 G28 Y172 N175 V176 L179 Y183I20-T24 VanDerWaalsContact O-CB 3.29Å; I20-T24 WeakPolarHBondContact O-CB 3.35Å; I20-T24 PolarHBondContact O-N 2.96Å; I20-T24 PolarHBondContact O-OG1 2.8Å; V21-T24 PolarHBondContact O-N 3.4Å; I22-T24 VanDerWaalsContact C-N 3.35Å; I22-T24 PolarHBondContact O-N 2.98Å; T24-G28 PolarHBondContact O-N 3.36Å; T24-Y172 HydrophobicContact CG2-CD2 3.94Å; T24-Y172 HydrophobicContact CG2-CE2 3.79Å; T24-Y172 WeakPolarHBondContact OG1-CD2 3.4Å; T24-N175 HydrophobicContact CG2-CB 4Å; T24-V176 HydrophobicContact CG2-CG2 3.87Å; T24-L179 HydrophobicContact CG2-CD1 3.91Å; T24-Y183 PolarHBondContact O-OH 2.98Å
25F89.5Confident88.2Confident50 Ų5054.5 Ų54.522%0.21927%0.266CS..Hα-helixtrans-57.9-56.8177.7179.9-103.6000112.3V21 I22 I23 G28 M29 L179 I182 Y183 I186V21-F25 WeakPolarHBondContact O-CB 3.45Å; V21-F25 PolarHBondContact O-N 2.94Å; I22-F25 WeakPolarHBondContact O-CB 3.45Å; I22-F25 PolarHBondContact O-N 3.13Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.37Å; F25-G28 PolarHBondContact O-N 3.2Å; F25-M29 HydrophobicContact CD1-SD 4.22Å; F25-M29 HydrophobicContact CE1-CG 4.34Å; F25-M29 HydrophobicContact CE1-SD 3.43Å; F25-M29 WeakPolarHBondContact CE1-SD 3.29Å; F25-M29 HydrophobicContact CZ-CG 4.3Å; F25-M29 HydrophobicContact CZ-SD 3.62Å; F25-M29 PolarHBondContact O-N 3.46Å; F25-M29 VanDerWaalsContact O-N 3.12Å; F25-L179 HydrophobicContact CB-CD1 4.18Å; F25-I182 HydrophobicContact CE2-CG2 4.08Å; F25-Y183 WeakPolarHBondContact CA-OH 3.21Å; F25-Y183 AromaticContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CE2-CD1 4.48Å; F25-Y183 HydrophobicContact CE2-CE1 4.03Å; F25-Y183 PolarHBondContact O-OH 2.9Å; F25-I186 HydrophobicContact CE2-CD1 3.95Å; F25-I186 HydrophobicContact CZ-CD1 3.89Å
26F90.8Very high87.9Confident116 Ų11649.3 Ų49.351%0.50925%0.252SS..Hα-helixtrans-65.6-39.9-177.8-79.6-65.6000113.1I22 I23 G28 M29 I30I22-F26 HydrophobicContact CG2-CD2 3.67Å; I22-F26 HydrophobicContact CG2-CE2 3.68Å; I22-F26 VanDerWaalsContact O-CD2 3.27Å; I22-F26 WeakPolarHBondContact O-CD2 3.33Å; I22-F26 PolarHBondContact O-N 3.04Å; I23-F26 PolarHBondContact O-N 3.01Å; F26-G28 VanDerWaalsContact C-N 3.28Å; F26-G28 PolarHBondContact O-N 3.23Å; F26-M29 WeakPolarHBondContact O-CB 3.49Å; F26-M29 PolarHBondContact O-N 2.58Å; F26-M29 VanDerWaalsContact O-N 3.16Å; F26-I30 WeakPolarHBondContact O-CG1 3.25Å; F26-I30 PolarHBondContact O-N 3.43Å
27V87.6Confident87.5Confident42 Ų4256 Ų5626%0.25529%0.287SS..Hα-helixtrans-64.8-36.3176.7174.70000110.9I23 M29 I30 R31 P120 I124I23-V27 HydrophobicContact CG2-CG2 4.15Å; I23-V27 WeakPolarHBondContact O-CB 3.35Å; I23-V27 VanDerWaalsContact O-CG2 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.16Å; I23-V27 PolarHBondContact O-N 2.87Å; V27-M29 VanDerWaalsContact C-N 3.35Å; V27-I30 PolarHBondContact O-N 3.4Å; V27-R31 VanDerWaalsContact O-CB 3.25Å; V27-R31 WeakPolarHBondContact O-CB 3.3Å; V27-R31 PolarHBondContact O-N 3.45Å; V27-P120 HydrophobicContact CG1-CB 4.12Å; V27-I124 HydrophobicContact CB-CD1 3.74Å; V27-I124 HydrophobicContact CG1-CD1 3.48Å; V27-I124 VanDerWaalsContact CG1-CD1 3.48Å; V27-I124 HydrophobicContact CG1-CG1 4.41Å; V27-I124 HydrophobicContact CG2-CD1 3.99Å; V27-I124 HydrophobicContact CG2-CG1 4.48Å
28G85.9Confident87Confident10 Ų1058.6 Ų58.610%0.10330%0.299CS..Hα-helixtrans-63.9-38172.900000113.2T24 F25 F26 H32 Y183T24-G28 PolarHBondContact O-N 3.36Å; F25-G28 PolarHBondContact O-N 3.2Å; F26-G28 VanDerWaalsContact C-N 3.28Å; F26-G28 PolarHBondContact O-N 3.23Å; G28-H32 PolarHBondContact O-N 3.34Å; G28-Y183 WeakPolarHBondContact CA-OH 3.43Å
29M86.6Confident86Confident46 Ų4660.7 Ų60.723%0.22731%0.307CS..Hα-helixtrans-64.6-48172.3-68.9-173.967.100112.1F25 F26 V27 R31 H32 Y33 Y183F25-M29 HydrophobicContact CD1-SD 4.22Å; F25-M29 HydrophobicContact CE1-CG 4.34Å; F25-M29 HydrophobicContact CE1-SD 3.43Å; F25-M29 WeakPolarHBondContact CE1-SD 3.29Å; F25-M29 HydrophobicContact CZ-CG 4.3Å; F25-M29 HydrophobicContact CZ-SD 3.62Å; F25-M29 PolarHBondContact O-N 3.46Å; F25-M29 VanDerWaalsContact O-N 3.12Å; F26-M29 WeakPolarHBondContact O-CB 3.49Å; F26-M29 PolarHBondContact O-N 2.58Å; F26-M29 VanDerWaalsContact O-N 3.16Å; V27-M29 VanDerWaalsContact C-N 3.35Å; M29-R31 VanDerWaalsContact C-N 3.31Å; M29-R31 PolarHBondContact O-N 2.88Å; M29-H32 WeakPolarHBondContact O-CB 3.35Å; M29-H32 PolarHBondContact O-N 2.83Å; M29-Y33 HydrophobicContact CE-CE2 4.47Å; M29-Y33 WeakPolarHBondContact O-CD2 3.32Å; M29-Y33 PolarHBondContact O-N 3.46Å; M29-Y183 HydrophobicContact CG-CE1 4.34Å
30I87.8Confident84.7Confident105 Ų10562.7 Ų62.754%0.53832%0.322SS..Hα-helixtrans-58.8-46.4177.6-67.9166.5000110F26 V27 H32 Y33 V34F26-I30 WeakPolarHBondContact O-CG1 3.25Å; F26-I30 PolarHBondContact O-N 3.43Å; V27-I30 PolarHBondContact O-N 3.4Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.68Å; I30-Y33 PolarHBondContact O-N 2.95Å; I30-V34 HydrophobicContact CG2-CG2 4.04Å; I30-V34 WeakPolarHBondContact O-CB 3.36Å; I30-V34 VanDerWaalsContact O-CG2 3.27Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.21Å
31R82.8Confident83.2Confident20 Ų2070.2 Ų70.28%0.07536%0.362CS..Hα-helixtrans-54.8-46.7175.9171.5-172.3161.7142.7-8.1111.3V27 M29 Y33 V34 S35 N117 A192V27-R31 VanDerWaalsContact O-CB 3.25Å; V27-R31 WeakPolarHBondContact O-CB 3.3Å; V27-R31 PolarHBondContact O-N 3.45Å; M29-R31 VanDerWaalsContact C-N 3.31Å; M29-R31 PolarHBondContact O-N 2.88Å; R31-Y33 PolarHBondContact O-N 2.96Å; R31-V34 PolarHBondContact O-N 3.02Å; R31-S35 VanDerWaalsContact O-CB 3.27Å; R31-S35 WeakPolarHBondContact O-CB 3.41Å; R31-S35 PolarHBondContact O-N 3.29Å; R31-N117 PolarHBondContact NH1-O 3.48Å; R31-N117 PolarHBondContact NH2-OD1 3.37Å; R31-A192 PolarHBondContact NE-O 3.38Å; R31-A192 PolarHBondContact NH2-O 3.03Å
32H83.8Confident81.7Confident15 Ų1574.4 Ų74.47%0.06938%0.377CS..Hα-helixtrans-57.8-49.5-179.7172.677.4000111.5G28 M29 I30 S35 I36 L187G28-H32 PolarHBondContact O-N 3.34Å; M29-H32 WeakPolarHBondContact O-CB 3.35Å; M29-H32 PolarHBondContact O-N 2.83Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.68Å; H32-S35 PolarHBondContact O-N 3.2Å; H32-I36 VanDerWaalsContact NE2-CD1 3.29Å; H32-I36 WeakPolarHBondContact NE2-CD1 3.42Å; H32-I36 WeakPolarHBondContact O-CG1 3.42Å; H32-I36 PolarHBondContact O-N 3.22Å; H32-L187 HydrophobicContact CB-CD1 3.8Å
33Y85.4Confident80Confident130 Ų13080.3 Ų80.351%0.5140%0.4SS..Hα-helixtrans-67.6-40.4178.6-69.8-64.8000113M29 I30 R31 S35 I36 L37M29-Y33 HydrophobicContact CE-CE2 4.47Å; M29-Y33 WeakPolarHBondContact O-CD2 3.32Å; M29-Y33 PolarHBondContact O-N 3.46Å; I30-Y33 PolarHBondContact O-N 2.95Å; R31-Y33 PolarHBondContact O-N 2.96Å; Y33-S35 VanDerWaalsContact C-N 3.27Å; Y33-S35 PolarHBondContact O-N 3.04Å; Y33-I36 PolarHBondContact O-N 2.79Å; Y33-L37 VanDerWaalsContact O-CG 3.3Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 2.97Å
34V85.2Confident78.7Confident59 Ų5981.5 Ų81.536%0.35841%0.407SS..Hα-helixtrans-61-39.1174.2168.30000110.9I30 R31 L37 L38I30-V34 HydrophobicContact CG2-CG2 4.04Å; I30-V34 WeakPolarHBondContact O-CB 3.36Å; I30-V34 VanDerWaalsContact O-CG2 3.27Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.21Å; R31-V34 PolarHBondContact O-N 3.02Å; V34-L37 PolarHBondContact O-N 3.13Å; V34-L38 HydrophobicContact CG1-CD1 3.59Å; V34-L38 WeakPolarHBondContact O-CB 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.43Å; V34-L38 PolarHBondContact O-N 3.4Å
35S82.3Confident78Confident13 Ų1385 Ų859%0.09143%0.428CS..Hα-helixtrans-66.5-43.8176.8-1740000111.5R31 H32 Y33 L37 L38 Q39 A192R31-S35 VanDerWaalsContact O-CB 3.27Å; R31-S35 WeakPolarHBondContact O-CB 3.41Å; R31-S35 PolarHBondContact O-N 3.29Å; H32-S35 PolarHBondContact O-N 3.2Å; Y33-S35 VanDerWaalsContact C-N 3.27Å; Y33-S35 PolarHBondContact O-N 3.04Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 2.85Å; S35-L38 CarbonylContact O-C 3.27Å; S35-L38 PolarHBondContact O-N 2.75Å; S35-L38 VanDerWaalsContact O-N 3.16Å; S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 3.39Å; S35-A192 VanDerWaalsContact CB-CB 3.48Å; S35-A192 WeakPolarHBondContact OG-CB 3.46Å
36I81.7Confident77.5Confident80 Ų8091 Ų9141%0.4146%0.457SS..Hα-helixtrans-58.6-43.2173.5-69.3168.6000110.9H32 Y33 L38 Q39H32-I36 VanDerWaalsContact NE2-CD1 3.29Å; H32-I36 WeakPolarHBondContact NE2-CD1 3.42Å; H32-I36 WeakPolarHBondContact O-CG1 3.42Å; H32-I36 PolarHBondContact O-N 3.22Å; Y33-I36 PolarHBondContact O-N 2.79Å; I36-L38 VanDerWaalsContact C-N 3.28Å; I36-L38 PolarHBondContact O-N 3.01Å; I36-Q39 PolarHBondContact O-N 3.39Å
37L81.8Confident76.9Confident148 Ų14889.6 Ų89.678%0.77545%0.452SS*.Hα-helixtrans-66.2-30178.6-71.7168.3000113.1Y33 V34 S35Y33-L37 VanDerWaalsContact O-CG 3.3Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 2.97Å; V34-L37 PolarHBondContact O-N 3.13Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 2.85Å
38L78.9Confident76.5Confident79 Ų7991.6 Ų91.641%0.41446%0.458SS..Hα-helixtrans-91.8-15179.6-75.4163.2000113.3V34 S35 I36 S40 T116V34-L38 HydrophobicContact CG1-CD1 3.59Å; V34-L38 WeakPolarHBondContact O-CB 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.43Å; V34-L38 PolarHBondContact O-N 3.4Å; S35-L38 CarbonylContact O-C 3.27Å; S35-L38 PolarHBondContact O-N 2.75Å; S35-L38 VanDerWaalsContact O-N 3.16Å; I36-L38 VanDerWaalsContact C-N 3.28Å; I36-L38 PolarHBondContact O-N 3.01Å; L38-S40 PolarHBondContact O-N 3.46Å; L38-T116 HydrophobicContact CD1-CG2 3.29Å
39Q70.7Confident76.2Confident127 Ų12793.9 Ų93.959%0.59347%0.47SS*.  trans-63.6105.7173.1-84.4175.1800108.4S35 I36S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 3.39Å; I36-Q39 PolarHBondContact O-N 3.39Å
40S63.9Low76.1Confident81 Ų8194.2 Ų94.257%0.56648%0.477SS*.  trans-91.8130.9169.5-570000108L38 K42L38-S40 PolarHBondContact O-N 3.46Å; S40-K42 VanDerWaalsContact C-N 3.34Å; S40-K42 PolarHBondContact O-N 3.21Å
41D60.9Low76Confident163 Ų16389.5 Ų89.587%0.87245%0.453SS*.  trans-63.195170.9-74-49000109.3K43D41-K43 PolarHBondContact O-N 3.46Å
42K58.2Low76.1Confident128 Ų12889 Ų8956%0.55745%0.453SS*.  trans-67.9104.7172.9-67.9-175.2-179-179.50107.8S40 L44S40-K42 VanDerWaalsContact C-N 3.34Å; S40-K42 PolarHBondContact O-N 3.21Å; K42-L44 PolarHBondContact O-N 2.9Å
43K56.6Low76.3Confident201 Ų20193 Ų9387%0.87447%0.471SS*.  trans-69.886.8161.1-65.8-173.5-178.6-177.20107.1D41 T45D41-K43 PolarHBondContact O-N 3.46Å; K43-T45 PolarHBondContact O-N 3.19Å
44L64.3Low76.5Confident93 Ų9387.1 Ų87.149%0.48745%0.449SS..  trans-52.6132.3165.7-70.4173.5000107.4K42 Q46 V49K42-L44 PolarHBondContact O-N 2.9Å; L44-Q46 PolarHBondContact O-N 3.28Å; L44-V49 HydrophobicContact CB-CG2 3.55Å; L44-V49 HydrophobicContact CD1-CG2 3.88Å; L44-V49 HydrophobicContact CG-CG2 4.37Å
45T72.8Confident76.7Confident80 Ų8085.2 Ų85.249%0.49144%0.437SS..  trans-58.6129.7174.3-54.90000107.2K43 E47 Q48 V49K43-T45 PolarHBondContact O-N 3.19Å; T45-E47 HydrophobicContact CG2-CB 3.89Å; T45-E47 PolarHBondContact O-N 3.35Å; T45-Q48 WeakPolarHBondContact O-CB 3.25Å; T45-Q48 PolarHBondContact O-N 3.44Å; T45-V49 PolarHBondContact O-N 3.17Å
46Q78.7Confident77.1Confident175 Ų17588.1 Ų88.182%0.81845%0.45SS*.Hα-helixtrans-48.1-33.2-179.5-178-179.1-3.800112.3L44 S50L44-Q46 PolarHBondContact O-N 3.28Å; Q46-S50 WeakPolarHBondContact O-CB 3.32Å; Q46-S50 PolarHBondContact O-N 2.9Å
47E79.7Confident77.6Confident87 Ų8791 Ų9141%0.40746%0.456SS..Hα-helixtrans-59.3-48.9174.2-168.3170.7-176.600113.8T45 V49 S50 D51 R93T45-E47 HydrophobicContact CG2-CB 3.89Å; T45-E47 PolarHBondContact O-N 3.35Å; E47-V49 VanDerWaalsContact C-N 3.33Å; E47-V49 PolarHBondContact O-N 3.31Å; E47-S50 WeakPolarHBondContact O-CB 3.4Å; E47-S50 PolarHBondContact O-N 2.79Å; E47-D51 PolarHBondContact O-N 2.71Å; E47-R93 WeakPolarHBondContact OE1-CD 3.32Å; E47-R93 IonicContact OE1-CZ 2.7Å; E47-R93 IonicContact OE1-NE 2.88Å; E47-R93 PolarHBondContact OE1-NE 3.45Å; E47-R93 IonicContact OE1-NH1 2.61Å; E47-R93 PolarHBondContact OE1-NH1 3.17Å
48Q77.4Confident78Confident84 Ų8484 Ų8439%0.39342%0.419SS..Hα-helixtrans-65-38.8-179.6-68174.5-38.200111.5T45 D51 S52T45-Q48 WeakPolarHBondContact O-CB 3.25Å; T45-Q48 PolarHBondContact O-N 3.44Å; Q48-D51 PolarHBondContact O-N 3.32Å; Q48-S52 PolarHBondContact O-N 2.89Å; Q48-S52 PolarHBondContact O-OG 3.3Å
49V80.5Confident78.6Confident57 Ų5785.3 Ų85.335%0.34542%0.419SS..Hα-helixtrans-66.2-42.3175.8-178.10000110.6L44 T45 E47 S52 Q53L44-V49 HydrophobicContact CB-CG2 3.55Å; L44-V49 HydrophobicContact CD1-CG2 3.88Å; L44-V49 HydrophobicContact CG-CG2 4.37Å; T45-V49 PolarHBondContact O-N 3.17Å; E47-V49 VanDerWaalsContact C-N 3.33Å; E47-V49 PolarHBondContact O-N 3.31Å; V49-S52 PolarHBondContact O-OG 3.36Å; V49-Q53 HydrophobicContact CG1-CG 4.44Å; V49-Q53 WeakPolarHBondContact O-CB 2.98Å; V49-Q53 WeakPolarHBondContact O-CG 3.39Å; V49-Q53 PolarHBondContact O-N 3.27Å; V49-Q53 VanDerWaalsContact O-N 3.09Å
50S84.7Confident79.6Confident54 Ų5482.6 Ų82.638%0.37841%0.411SS..Hα-helixtrans-60.9-46.1176.5-1730000111.4Q46 E47 Q53 V54Q46-S50 WeakPolarHBondContact O-CB 3.32Å; Q46-S50 PolarHBondContact O-N 2.9Å; E47-S50 WeakPolarHBondContact O-CB 3.4Å; E47-S50 PolarHBondContact O-N 2.79Å; S50-Q53 PolarHBondContact O-N 2.89Å; S50-V54 VanDerWaalsContact O-CG2 3.3Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 3.19Å
51D85.8Confident81Confident5 Ų579.2 Ų79.23%0.02739%0.386CS..Hα-helixtrans-63.9-46-179.2-70.2-15.6000112.3E47 Q48 Q53 V54 L55 R93 M210 F218E47-D51 PolarHBondContact O-N 2.71Å; Q48-D51 PolarHBondContact O-N 3.32Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.28Å; D51-V54 PolarHBondContact O-N 2.82Å; D51-L55 WeakPolarHBondContact O-CG 3.49Å; D51-L55 PolarHBondContact O-N 3.46Å; D51-R93 IonicContact OD1-CZ 3.45Å; D51-R93 IonicContact OD1-NE 2.66Å; D51-R93 PolarHBondContact OD1-NE 2.79Å; D51-R93 IonicContact OD1-NH2 3.97Å; D51-R93 PolarHBondContact OD1-NH2 3.37Å; D51-R93 WeakPolarHBondContact OD2-CD 3.21Å; D51-R93 WeakPolarHBondContact OD2-CG 3.5Å; D51-R93 IonicContact OD2-CZ 2.65Å; D51-R93 IonicContact OD2-NE 3.14Å; D51-R93 PolarHBondContact OD2-NE 3.08Å; D51-R93 IonicContact OD2-NH2 3.33Å; D51-M210 HydrophobicContact CB-CE 3.53Å; D51-F218 HydrophobicContact CB-CE1 4.36Å; D51-F218 HydrophobicContact CB-CZ 4.03Å
52S84.2Confident82.4Confident11 Ų1174.7 Ų74.78%0.07736%0.357CS..Hα-helixtrans-61.1-41.7177.969.10000111.4Q48 V49 L55 I56Q48-S52 PolarHBondContact O-N 2.89Å; Q48-S52 PolarHBondContact O-OG 3.3Å; V49-S52 PolarHBondContact O-OG 3.36Å; S52-L55 PolarHBondContact O-N 2.91Å; S52-I56 VanDerWaalsContact O-CG1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3.47Å
53Q87.8Confident84Confident98 Ų9874.5 Ų74.546%0.45836%0.358SS..Hα-helixtrans-66.2-38.9177.5-70.6-63.7-17.900112.7V49 S50 D51 I56 R57V49-Q53 HydrophobicContact CG1-CG 4.44Å; V49-Q53 WeakPolarHBondContact O-CB 2.98Å; V49-Q53 WeakPolarHBondContact O-CG 3.39Å; V49-Q53 PolarHBondContact O-N 3.27Å; V49-Q53 VanDerWaalsContact O-N 3.09Å; S50-Q53 PolarHBondContact O-N 2.89Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.28Å; Q53-I56 PolarHBondContact O-N 3.29Å; Q53-R57 WeakPolarHBondContact O-CB 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.48Å; Q53-R57 PolarHBondContact O-N 2.9Å
54V90.1Very high85.7Confident7 Ų768.1 Ų68.14%0.04233%0.334CS..Hα-helixtrans-63.8-42.7175.61690000110.6S50 D51 R57 S58 F80 F87 F88S50-V54 VanDerWaalsContact O-CG2 3.3Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 3.19Å; D51-V54 PolarHBondContact O-N 2.82Å; V54-R57 PolarHBondContact O-N 3.39Å; V54-S58 PolarHBondContact O-N 3.44Å; V54-F80 HydrophobicContact CG1-CD1 4.24Å; V54-F80 HydrophobicContact CG1-CE1 3.75Å; V54-F87 HydrophobicContact CB-CD1 4.44Å; V54-F87 HydrophobicContact CB-CE1 3.92Å; V54-F87 HydrophobicContact CB-CZ 4.23Å; V54-F87 HydrophobicContact CG1-CD1 3.37Å; V54-F87 HydrophobicContact CG1-CE1 3.28Å; V54-F87 HydrophobicContact CG1-CG 4.17Å; V54-F87 HydrophobicContact CG1-CZ 3.99Å; V54-F87 HydrophobicContact CG2-CE1 3.92Å; V54-F87 HydrophobicContact CG2-CE2 4.19Å; V54-F87 HydrophobicContact CG2-CZ 3.73Å; V54-F88 HydrophobicContact CG1-CD1 4.5Å; V54-F88 HydrophobicContact CG1-CE1 3.65Å; V54-F88 HydrophobicContact CG1-CZ 4.13Å
55L90.1Very high86.9Confident18 Ų1863.9 Ų63.99%0.09431%0.312CS..Hα-helixtrans-62.7-43.7176.3-66177.8000112.1D51 S52 R57 S58 R59 F88 M210 A217 F218 E221D51-L55 WeakPolarHBondContact O-CG 3.49Å; D51-L55 PolarHBondContact O-N 3.46Å; S52-L55 PolarHBondContact O-N 2.91Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.23Å; L55-S58 PolarHBondContact O-N 2.85Å; L55-R59 PolarHBondContact O-N 3.4Å; L55-F88 HydrophobicContact CD2-CE1 3.97Å; L55-F88 HydrophobicContact CD2-CZ 4.46Å; L55-M210 HydrophobicContact CD1-CE 4.09Å; L55-M210 HydrophobicContact CD1-SD 4.43Å; L55-A217 HydrophobicContact CD1-CB 4.04Å; L55-F218 HydrophobicContact CD1-CE1 4.38Å; L55-F218 HydrophobicContact CD2-CD1 3.55Å; L55-F218 HydrophobicContact CD2-CE1 3.79Å; L55-F218 HydrophobicContact CG-CD1 4.29Å; L55-F218 HydrophobicContact CG-CE1 4.04Å; L55-E221 HydrophobicContact CD2-CB 4.23Å; L55-E221 HydrophobicContact CD2-CG 3.78Å
56I90Very high87.7Confident74 Ų7464.3 Ų64.338%0.37931%0.307SS..Hα-helixtrans-60.5-44.6175.3-68.1164.3000110.3S52 Q53 S58 R59 V60S52-I56 VanDerWaalsContact O-CG1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3.47Å; Q53-I56 PolarHBondContact O-N 3.29Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 3.11Å; I56-R59 PolarHBondContact O-N 3.25Å; I56-V60 HydrophobicContact CG2-CG2 4.15Å; I56-V60 WeakPolarHBondContact O-CB 3.36Å; I56-V60 VanDerWaalsContact O-CG2 3.28Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 2.84Å
57R91.4Very high88.3Confident141 Ų14162.7 Ų62.753%0.53230%0.295SS..Hα-helixtrans-62.4-39.6178.8-73.4173.368.9-167.30.4112.6Q53 V54 L55 L61 F80Q53-R57 WeakPolarHBondContact O-CB 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.48Å; Q53-R57 PolarHBondContact O-N 2.9Å; V54-R57 PolarHBondContact O-N 3.39Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.23Å; R57-L61 WeakPolarHBondContact O-CB 3.31Å; R57-L61 PolarHBondContact O-N 2.86Å; R57-F80 HydrophobicContact CB-CZ 4.06Å
58S91.3Very high89Confident0 Ų059.9 Ų59.90%028%0.282CS..Hα-helixtrans-64-46.6173.31710000111.7V54 L55 I56 V60 L61 R62 E221V54-S58 PolarHBondContact O-N 3.44Å; L55-S58 PolarHBondContact O-N 2.85Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 3.11Å; S58-V60 PolarHBondContact O-N 3.21Å; S58-L61 WeakPolarHBondContact O-CB 3.38Å; S58-L61 PolarHBondContact O-N 3.35Å; S58-R62 WeakPolarHBondContact O-CG 3.19Å; S58-R62 PolarHBondContact O-N 2.92Å; S58-E221 PolarHBondContact OG-OE2 3.41Å
59R91.1Very high89.7Confident107 Ų10759.1 Ų59.140%0.40429%0.285SS..Hα-helixtrans-59.6-48.4176.2-174.2-177.9-60.8176.70.8112.2L55 I56 L61 R62 E63L55-R59 PolarHBondContact O-N 3.4Å; I56-R59 PolarHBondContact O-N 3.25Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 3.09Å; R59-R62 PolarHBondContact O-N 2.94Å; R59-E63 WeakPolarHBondContact CD-OE1 3.21Å; R59-E63 HydrophobicContact CG-CG 4.33Å; R59-E63 VanDerWaalsContact CG-OE1 3.27Å; R59-E63 WeakPolarHBondContact CG-OE1 3.19Å; R59-E63 PolarHBondContact O-N 3.04Å
60V91.7Very high90.2Very high71 Ų7162.7 Ų62.743%0.4330%0.296SS..Hα-helixtrans-60.2-39.1177.7170.50000110.9I56 S58 R62 N64I56-V60 HydrophobicContact CG2-CG2 4.15Å; I56-V60 WeakPolarHBondContact O-CB 3.36Å; I56-V60 VanDerWaalsContact O-CG2 3.28Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 2.84Å; S58-V60 PolarHBondContact O-N 3.21Å; V60-R62 VanDerWaalsContact C-N 3.3Å; V60-R62 PolarHBondContact O-N 3.12Å; V60-N64 HydrophobicContact CG1-CB 4.43Å; V60-N64 WeakPolarHBondContact O-CA 3.49Å; V60-N64 VanDerWaalsContact O-CB 3.28Å; V60-N64 WeakPolarHBondContact O-CB 3.38Å; V60-N64 PolarHBondContact O-N 3.42Å
61L92.8Very high90.7Very high10 Ų1066.9 Ų66.95%0.05231%0.309CS..Hα-helixtrans-62.6-37.2175.4-178.863.9000112.2R57 S58 R59 G65 I68 F73 R76 F80 L225R57-L61 WeakPolarHBondContact O-CB 3.31Å; R57-L61 PolarHBondContact O-N 2.86Å; S58-L61 WeakPolarHBondContact O-CB 3.38Å; S58-L61 PolarHBondContact O-N 3.35Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 3.09Å; L61-G65 WeakPolarHBondContact O-CA 3.21Å; L61-G65 PolarHBondContact O-N 2.92Å; L61-I68 HydrophobicContact CD1-CD1 3.59Å; L61-F73 HydrophobicContact CD1-CD2 3.63Å; L61-F73 HydrophobicContact CD1-CE2 4.01Å; L61-F73 HydrophobicContact CG-CD2 4.07Å; L61-F73 HydrophobicContact CG-CE2 3.92Å; L61-R76 HydrophobicContact CD1-CB 3.95Å; L61-R76 HydrophobicContact CD2-CB 3.62Å; L61-R76 HydrophobicContact CG-CB 4.46Å; L61-F80 HydrophobicContact CD2-CD2 4.07Å; L61-F80 HydrophobicContact CD2-CE2 4.12Å; L61-L225 HydrophobicContact CD2-CD1 3.95Å; L61-L225 HydrophobicContact CD2-CD2 4.31Å; L61-L225 HydrophobicContact CG-CD1 4.29Å
62R91.9Very high91Very high68 Ų6869 Ų6926%0.25732%0.324SS..Hα-helixtrans-71.7-48.9177-66.5-176.5-67.3147.1-1.1112.3S58 R59 V60 E221 L225 T228S58-R62 WeakPolarHBondContact O-CG 3.19Å; S58-R62 PolarHBondContact O-N 2.92Å; R59-R62 PolarHBondContact O-N 2.94Å; V60-R62 VanDerWaalsContact C-N 3.3Å; V60-R62 PolarHBondContact O-N 3.12Å; R62-E221 IonicContact CZ-OE1 2.78Å; R62-E221 IonicContact CZ-OE2 3.83Å; R62-E221 VanDerWaalsContact CZ-OE2 3.27Å; R62-E221 IonicContact NE-OE2 3.18Å; R62-E221 PolarHBondContact NE-OE2 3.23Å; R62-E221 IonicContact NH2-OE1 2.87Å; R62-E221 PolarHBondContact NH2-OE1 2.83Å; R62-E221 IonicContact NH2-OE2 3.85Å; R62-E221 PolarHBondContact NH2-OE2 3.49Å; R62-L225 HydrophobicContact CG-CB 4.42Å; R62-L225 HydrophobicContact CG-CD1 3.56Å; R62-T228 HydrophobicContact CB-CG2 4.26Å; R62-T228 WeakPolarHBondContact CD-OG1 3.13Å; R62-T228 HydrophobicContact CG-CG2 4.22Å; R62-T228 WeakPolarHBondContact CG-OG1 3.44Å
63E90.7Very high91.6Very high123 Ų12368.6 Ų68.658%0.57532%0.321SS*.Hα-helixtrans-72.7-36-175.8-68.5174.2-177.100112.7R59R59-E63 WeakPolarHBondContact CD-OE1 3.21Å; R59-E63 HydrophobicContact CG-CG 4.33Å; R59-E63 VanDerWaalsContact CG-OE1 3.27Å; R59-E63 WeakPolarHBondContact CG-OE1 3.19Å; R59-E63 PolarHBondContact O-N 3.04Å
64N92Very high91.8Very high67 Ų6767.7 Ų67.736%0.35832%0.319SS..Hα-helixtrans-115.812.1-173.4-60.7-73.6000113.1V60 K66 Y67V60-N64 HydrophobicContact CG1-CB 4.43Å; V60-N64 WeakPolarHBondContact O-CA 3.49Å; V60-N64 VanDerWaalsContact O-CB 3.28Å; V60-N64 WeakPolarHBondContact O-CB 3.38Å; V60-N64 PolarHBondContact O-N 3.42Å; N64-K66 PolarHBondContact O-N 3.18Å; N64-Y67 HydrophobicContact CB-CD2 4.07Å; N64-Y67 HydrophobicContact CB-CE2 4.44Å; N64-Y67 PolarHBondContact O-N 2.79Å
65G90.3Very high92Very high4 Ų471.8 Ų71.84%0.04134%0.344CS..G310 helixtrans-59.3-19.5178.800000113.8L61 Y67 I68 H230L61-G65 WeakPolarHBondContact O-CA 3.21Å; L61-G65 PolarHBondContact O-N 2.92Å; G65-Y67 VanDerWaalsContact C-N 3.27Å; G65-Y67 PolarHBondContact O-N 3.16Å; G65-I68 VanDerWaalsContact O-CG1 3.25Å; G65-I68 WeakPolarHBondContact O-CG1 3.36Å; G65-I68 PolarHBondContact O-N 3.42Å; G65-H230 PolarHBondContact O-CE1 3.38Å; G65-H230 PolarHBondContact O-ND1 3.39Å; G65-H230 VanDerWaalsContact O-ND1 3.11Å
66K90.3Very high92.2Very high89 Ų8977.1 Ų77.139%0.38736%0.363SS..G310 helixtrans-68.9-16.9177.863.3177.2171.9169.60115.9N64 Q231 W232 A233N64-K66 PolarHBondContact O-N 3.18Å; K66-Q231 WeakPolarHBondContact CA-O 3.33Å; K66-Q231 WeakPolarHBondContact CB-O 3Å; K66-W232 WeakPolarHBondContact O-CZ3 3.22Å; K66-A233 HydrophobicContact CB-CB 4.14Å; K66-A233 HydrophobicContact CD-CB 4.41Å; K66-A233 HydrophobicContact CG-CB 4.38Å; K66-A233 WeakPolarHBondContact O-CB 3.37Å; K66-A233 PolarHBondContact O-N 3.26Å
67Y91.6Very high92.4Very high142 Ų14274.9 Ų74.956%0.55735%0.351SS*.G310 helixtrans-99.91.9-179-54.2-62.7000113.8N64 G65 W232 A233N64-Y67 HydrophobicContact CB-CD2 4.07Å; N64-Y67 HydrophobicContact CB-CE2 4.44Å; N64-Y67 PolarHBondContact O-N 2.79Å; G65-Y67 VanDerWaalsContact C-N 3.27Å; G65-Y67 PolarHBondContact O-N 3.16Å; Y67-W232 VanDerWaalsContact C-CZ3 3.43Å; Y67-A233 HydrophobicContact CD1-CB 4.45Å
68I92.7Very high92.5Very high28 Ų2875.1 Ų75.114%0.14435%0.353CS..SBendtrans-113.8146.5170.657.5173.5000111.8L61 G65 F73 H230 W232L61-I68 HydrophobicContact CD1-CD1 3.59Å; G65-I68 VanDerWaalsContact O-CG1 3.25Å; G65-I68 WeakPolarHBondContact O-CG1 3.36Å; G65-I68 PolarHBondContact O-N 3.42Å; I68-F73 HydrophobicContact CD1-CB 3.91Å; I68-F73 HydrophobicContact CD1-CD2 4.3Å; I68-F73 HydrophobicContact CG1-CB 4.13Å; I68-H230 PolarHBondContact O-CE1 2.95Å; I68-H230 PolarHBondContact O-NE2 3.33Å; I68-W232 WeakPolarHBondContact O-CZ3 3.34Å
69P92.6Very high92.6Very high68 Ų6880.5 Ų80.544%0.44237%0.374SS..  trans-57.1150.4178.7-26.134.6000112.5Q71 S72 F73 W232P69-Q71 VanDerWaalsContact C-N 3.25Å; P69-Q71 PolarHBondContact O-N 2.88Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; P69-S72 WeakPolarHBondContact O-CA 3.4Å; P69-S72 WeakPolarHBondContact O-CB 3.27Å; P69-S72 PolarHBondContact O-N 3.18Å; P69-F73 PolarHBondContact O-N 3.33Å; P69-W232 HydrophobicContact CG-CH2 4.24Å
70K92.1Very high92.7Very high132 Ų13275.7 Ų75.757%0.57436%0.356SS*.Hα-helixtrans-48.4-44.9-179.4-173.5172.8-178.3172.50113.6S72 F73 L74 H230K70-S72 PolarHBondContact O-N 2.89Å; K70-F73 PolarHBondContact O-N 3.25Å; K70-L74 HydrophobicContact CG-CD1 4.14Å; K70-L74 HydrophobicContact CG-CG 4.48Å; K70-L74 VanDerWaalsContact O-CG 3.31Å; K70-L74 WeakPolarHBondContact O-CG 3.27Å; K70-L74 PolarHBondContact O-N 3.34Å; K70-H230 VanDerWaalsContact CA-CD2 3.42Å; K70-H230 WeakPolarHBondContact CA-CD2 3.21Å; K70-H230 VanDerWaalsContact CB-CD2 3.46Å; K70-H230 WeakPolarHBondContact CB-CD2 3.23Å; K70-H230 HydrophobicContact CG-CB 4.48Å; K70-H230 PolarHBondContact N-NE2 3.08Å
71Q93.6Very high92.7Very high142 Ų14272.7 Ų72.766%0.66434%0.337SS*.Hα-helixtrans-58.7-47.7177.1-69.9-65.5-26.700111.7P69 F73 L74 T75P69-Q71 VanDerWaalsContact C-N 3.25Å; P69-Q71 PolarHBondContact O-N 2.88Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; Q71-F73 PolarHBondContact O-N 3.22Å; Q71-L74 PolarHBondContact O-N 2.96Å; Q71-T75 PolarHBondContact O-N 3.02Å; Q71-T75 PolarHBondContact O-OG1 2.94Å
72S93.8Very high92.5Very high49 Ų4973.1 Ų73.134%0.34334%0.339SS..Hα-helixtrans-64.4-37.5178.2-55.90000112.7P69 K70 R76P69-S72 WeakPolarHBondContact O-CA 3.4Å; P69-S72 WeakPolarHBondContact O-CB 3.27Å; P69-S72 PolarHBondContact O-N 3.18Å; K70-S72 PolarHBondContact O-N 2.89Å; S72-R76 VanDerWaalsContact O-CG 3.28Å; S72-R76 WeakPolarHBondContact O-CG 3.43Å; S72-R76 PolarHBondContact O-N 2.77Å
73F95.1Very high92Very high3 Ų373.4 Ų73.41%0.01335%0.35CS..Hα-helixtrans-62.3-49.4173.3177.9-91.9000111.1L61 I68 P69 K70 Q71 T75 R76 K77 T228 H230L61-F73 HydrophobicContact CD1-CD2 3.63Å; L61-F73 HydrophobicContact CD1-CE2 4.01Å; L61-F73 HydrophobicContact CG-CD2 4.07Å; L61-F73 HydrophobicContact CG-CE2 3.92Å; I68-F73 HydrophobicContact CD1-CB 3.91Å; I68-F73 HydrophobicContact CD1-CD2 4.3Å; I68-F73 HydrophobicContact CG1-CB 4.13Å; P69-F73 PolarHBondContact O-N 3.33Å; K70-F73 PolarHBondContact O-N 3.25Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; Q71-F73 PolarHBondContact O-N 3.22Å; F73-T75 PolarHBondContact O-N 3.11Å; F73-R76 PolarHBondContact O-N 3.08Å; F73-K77 HydrophobicContact CE1-CB 4.38Å; F73-K77 HydrophobicContact CE1-CD 3.91Å; F73-K77 HydrophobicContact CZ-CD 4.43Å; F73-K77 WeakPolarHBondContact O-CB 3.47Å; F73-K77 PolarHBondContact O-N 3.12Å; F73-T228 HydrophobicContact CE2-CG2 4.5Å; F73-T228 HydrophobicContact CZ-CG2 4.05Å; F73-H230 HydrophobicContact CB-CB 4.37Å; F73-H230 HydrophobicContact CD1-CB 3.6Å; F73-H230 HydrophobicContact CE1-CB 3.97Å; F73-H230 HydrophobicContact CG-CB 3.97Å; F73-H230 AromaticContact CG-ND1 3.69Å
74L93.8Very high91.6Very high78 Ų7875.3 Ų75.341%0.40836%0.359SS..Hα-helixtrans-62.5-40.9-179.5-69.1175.3000112.3K70 Q71 R76 K77 Y78K70-L74 HydrophobicContact CG-CD1 4.14Å; K70-L74 HydrophobicContact CG-CG 4.48Å; K70-L74 VanDerWaalsContact O-CG 3.31Å; K70-L74 WeakPolarHBondContact O-CG 3.27Å; K70-L74 PolarHBondContact O-N 3.34Å; Q71-L74 PolarHBondContact O-N 2.96Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.05Å; L74-K77 PolarHBondContact O-N 3.31Å; L74-Y78 VanDerWaalsContact O-CB 3.3Å; L74-Y78 WeakPolarHBondContact O-CB 3.29Å; L74-Y78 PolarHBondContact O-N 3.07Å
75T93.7Very high91.3Very high94 Ų9476.4 Ų76.458%0.57737%0.365SS*.Hα-helixtrans-61.3-41.1175-52.10000111.9Q71 F73 Y78 Y79Q71-T75 PolarHBondContact O-N 3.02Å; Q71-T75 PolarHBondContact O-OG1 2.94Å; F73-T75 PolarHBondContact O-N 3.11Å; T75-Y78 PolarHBondContact O-N 2.62Å; T75-Y79 PolarHBondContact O-N 3.25Å; T75-Y79 VanDerWaalsContact O-N 3.14Å
76R94.7Very high91.1Very high129 Ų12976.2 Ų76.249%0.48736%0.363SS..Hα-helixtrans-71.8-39.8177.5-67173.3-173.1-171.33.8111.8L61 S72 F73 L74 Y78 Y79 F80L61-R76 HydrophobicContact CD1-CB 3.95Å; L61-R76 HydrophobicContact CD2-CB 3.62Å; L61-R76 HydrophobicContact CG-CB 4.46Å; S72-R76 VanDerWaalsContact O-CG 3.28Å; S72-R76 WeakPolarHBondContact O-CG 3.43Å; S72-R76 PolarHBondContact O-N 2.77Å; F73-R76 PolarHBondContact O-N 3.08Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.05Å; R76-Y78 VanDerWaalsContact C-N 3.31Å; R76-Y78 PolarHBondContact O-N 3.4Å; R76-Y79 WeakPolarHBondContact O-CB 3.36Å; R76-Y79 PolarHBondContact O-N 3.25Å; R76-F80 WeakPolarHBondContact O-CD2 3.44Å; R76-F80 PolarHBondContact O-N 3.15Å
77K93.7Very high91.1Very high27 Ų2773.5 Ų73.512%0.11735%0.351CS..Hα-helixtrans-59-44.7172.4-178.9168.8-179.3170.60110.3F73 L74 Y79 F80 N81 L225 E226 T228F73-K77 HydrophobicContact CE1-CB 4.38Å; F73-K77 HydrophobicContact CE1-CD 3.91Å; F73-K77 HydrophobicContact CZ-CD 4.43Å; F73-K77 WeakPolarHBondContact O-CB 3.47Å; F73-K77 PolarHBondContact O-N 3.12Å; L74-K77 PolarHBondContact O-N 3.31Å; K77-Y79 PolarHBondContact O-N 3.44Å; K77-F80 PolarHBondContact O-N 2.92Å; K77-N81 WeakPolarHBondContact O-CB 3.4Å; K77-N81 PolarHBondContact O-N 3.15Å; K77-L225 WeakPolarHBondContact CE-O 3.23Å; K77-L225 HydrophobicContact CG-CG 4.21Å; K77-L225 PolarHBondContact NZ-O 3.26Å; K77-L225 VanDerWaalsContact NZ-O 3.16Å; K77-E226 PolarHBondContact NZ-O 3.18Å; K77-T228 PolarHBondContact NZ-O 3.41Å
78Y92.6Very high91Very high147 Ų14767 Ų6758%0.57633%0.326SS*.Hα-helixtrans-59.6-42.7177.3-173.6-99.7000112.6L74 T75 R76 F80 N82L74-Y78 VanDerWaalsContact O-CB 3.3Å; L74-Y78 WeakPolarHBondContact O-CB 3.29Å; L74-Y78 PolarHBondContact O-N 3.07Å; T75-Y78 PolarHBondContact O-N 2.62Å; R76-Y78 VanDerWaalsContact C-N 3.31Å; R76-Y78 PolarHBondContact O-N 3.4Å; Y78-F80 VanDerWaalsContact C-N 3.26Å; Y78-F80 PolarHBondContact O-N 3.24Å; Y78-N82 HydrophobicContact CD1-CB 4.47Å; Y78-N82 HydrophobicContact CD2-CB 4.15Å; Y78-N82 HydrophobicContact CE1-CB 4.33Å; Y78-N82 HydrophobicContact CE2-CB 4Å; Y78-N82 HydrophobicContact CG-CB 4.39Å; Y78-N82 WeakPolarHBondContact O-CB 3.2Å; Y78-N82 PolarHBondContact O-N 2.77Å; Y78-N82 PolarHBondContact OH-ND2 2.99Å; Y78-N82 VanDerWaalsContact OH-ND2 3.12Å
79Y93.5Very high90.6Very high112 Ų11271 Ų7144%0.43934%0.342SS..Hα-helixtrans-56-39.3176.1173.1-97.7000113.3T75 R76 K77 F87T75-Y79 PolarHBondContact O-N 3.25Å; T75-Y79 VanDerWaalsContact O-N 3.14Å; R76-Y79 WeakPolarHBondContact O-CB 3.36Å; R76-Y79 PolarHBondContact O-N 3.25Å; K77-Y79 PolarHBondContact O-N 3.44Å; Y79-F87 HydrophobicContact CE1-CB 4.24Å; Y79-F87 PolarHBondContact O-N 2.82Å
80F93.6Very high90.2Very high7 Ų774.1 Ų74.13%0.03135%0.349CS..Hα-helixtrans-84.9-44.3-178.9-68-61.9000113.1V54 R57 L61 R76 K77 Y78 G86 F87 F88 L225V54-F80 HydrophobicContact CG1-CD1 4.24Å; V54-F80 HydrophobicContact CG1-CE1 3.75Å; R57-F80 HydrophobicContact CB-CZ 4.06Å; L61-F80 HydrophobicContact CD2-CD2 4.07Å; L61-F80 HydrophobicContact CD2-CE2 4.12Å; R76-F80 WeakPolarHBondContact O-CD2 3.44Å; R76-F80 PolarHBondContact O-N 3.15Å; K77-F80 PolarHBondContact O-N 2.92Å; Y78-F80 VanDerWaalsContact C-N 3.26Å; Y78-F80 PolarHBondContact O-N 3.24Å; F80-G86 CarbonylContact O-C 3.59Å; F80-G86 WeakPolarHBondContact O-CA 3.39Å; F80-F87 HydrophobicContact CD1-CB 4.35Å; F80-F87 PolarHBondContact O-N 3.38Å; F80-F88 HydrophobicContact CB-CD2 3.86Å; F80-F88 HydrophobicContact CB-CE2 3.68Å; F80-F88 HydrophobicContact CD1-CD2 4.42Å; F80-F88 HydrophobicContact CD1-CE1 4.46Å; F80-F88 AromaticContact CD1-CE2 3.81Å; F80-F88 HydrophobicContact CD1-CE2 3.81Å; F80-F88 AromaticContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CE1-CZ 4.41Å; F80-F88 AromaticContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CZ 4.36Å; F80-F88 PolarHBondContact O-N 2.87Å; F80-L225 HydrophobicContact CB-CD2 3.54Å; F80-L225 HydrophobicContact CD2-CD2 3.83Å; F80-L225 HydrophobicContact CG-CD2 4.01Å
81N91.4Very high89.8Confident8 Ų869 Ų694%0.04333%0.329CS..Hα-helixtrans-105.5-1.3-165.2-82.628.7000115.7K77 W222 E226K77-N81 WeakPolarHBondContact O-CB 3.4Å; K77-N81 PolarHBondContact O-N 3.15Å; N81-W222 VanDerWaalsContact CG-CD1 3.47Å; N81-W222 PolarHBondContact ND2-O 2.86Å; N81-W222 PolarHBondContact O-NE1 3.45Å; N81-W222 VanDerWaalsContact O-NE1 3.15Å; N81-W222 VanDerWaalsContact OD1-CD1 3.29Å; N81-E226 WeakPolarHBondContact ND2-CA 3.47Å; N81-E226 PolarHBondContact ND2-N 3.46Å; N81-E226 PolarHBondContact ND2-OE2 2.8Å
82N89Confident89.2Confident18 Ų1869 Ų6910%0.09633%0.327CS..  trans-48.1127.2179.5173.1-3.6000111.2Y78 E84 D85 G86Y78-N82 HydrophobicContact CD1-CB 4.47Å; Y78-N82 HydrophobicContact CD2-CB 4.15Å; Y78-N82 HydrophobicContact CE1-CB 4.33Å; Y78-N82 HydrophobicContact CE2-CB 4Å; Y78-N82 HydrophobicContact CG-CB 4.39Å; Y78-N82 WeakPolarHBondContact O-CB 3.2Å; Y78-N82 PolarHBondContact O-N 2.77Å; Y78-N82 PolarHBondContact OH-ND2 2.99Å; Y78-N82 VanDerWaalsContact OH-ND2 3.12Å; N82-E84 PolarHBondContact O-N 3.41Å; N82-E84 PolarHBondContact OD1-N 3.33Å; N82-D85 PolarHBondContact OD1-N 2.74Å; N82-G86 VanDerWaalsContact O-CA 3.26Å; N82-G86 WeakPolarHBondContact O-CA 3.24Å; N82-G86 PolarHBondContact O-N 3.19Å
83P82.1Confident88.5Confident75 Ų7569.2 Ų69.249%0.48732%0.32SS..THydrogen-bonded Turntrans-61.2-25.5-177.924.2-35.3000113.6K89P83-K89 WeakPolarHBondContact O-CD 2.97Å; P83-K89 WeakPolarHBondContact O-CE 3.46Å; P83-K89 PolarHBondContact O-NZ 3.42Å
84E81.8Confident87.3Confident163 Ų16378.2 Ų78.276%0.76236%0.359SS*.THydrogen-bonded Turntrans-97.6-52.1-179.4-60.3-59.1145.500112.1N82N82-E84 PolarHBondContact O-N 3.41Å; N82-E84 PolarHBondContact OD1-N 3.33Å
85D84.5Confident85.7Confident90 Ų9078 Ų7848%0.48136%0.36SS..THydrogen-bonded Turntrans-122.617.5-171.2-163.342.7000114.2N82 F87 K90N82-D85 PolarHBondContact OD1-N 2.74Å; D85-F87 PolarHBondContact O-N 3.22Å; D85-K90 WeakPolarHBondContact OD1-CD 3.31Å; D85-K90 WeakPolarHBondContact OD1-CE 3.37Å; D85-K90 IonicContact OD1-NZ 3.27Å; D85-K90 PolarHBondContact OD1-NZ 3.11Å; D85-K90 IonicContact OD2-NZ 2.72Å
86G87.4Confident84Confident0 Ų078 Ų780%036%0.361CS..  trans-63136.9179.700000112F80 N82 F88 K89 K90F80-G86 CarbonylContact O-C 3.59Å; F80-G86 WeakPolarHBondContact O-CA 3.39Å; N82-G86 VanDerWaalsContact O-CA 3.26Å; N82-G86 WeakPolarHBondContact O-CA 3.24Å; N82-G86 PolarHBondContact O-N 3.19Å; G86-F88 VanDerWaalsContact C-N 3.25Å; G86-F88 PolarHBondContact O-N 2.93Å; G86-F88 VanDerWaalsContact O-N 3.16Å; G86-K89 PolarHBondContact O-N 3.12Å; G86-K90 WeakPolarHBondContact O-CB 3.48Å; G86-K90 PolarHBondContact O-N 2.98Å
87F90Very high81.8Confident31 Ų3175.9 Ų75.914%0.13636%0.363CS..Hα-helixtrans-51.4-43.8-176.2-177.3-84.6000112.7V54 Y79 F80 D85 K89 T91 F218V54-F87 HydrophobicContact CB-CD1 4.44Å; V54-F87 HydrophobicContact CB-CE1 3.92Å; V54-F87 HydrophobicContact CB-CZ 4.23Å; V54-F87 HydrophobicContact CG1-CD1 3.37Å; V54-F87 HydrophobicContact CG1-CE1 3.28Å; V54-F87 HydrophobicContact CG1-CG 4.17Å; V54-F87 HydrophobicContact CG1-CZ 3.99Å; V54-F87 HydrophobicContact CG2-CE1 3.92Å; V54-F87 HydrophobicContact CG2-CE2 4.19Å; V54-F87 HydrophobicContact CG2-CZ 3.73Å; Y79-F87 HydrophobicContact CE1-CB 4.24Å; Y79-F87 PolarHBondContact O-N 2.82Å; F80-F87 HydrophobicContact CD1-CB 4.35Å; F80-F87 PolarHBondContact O-N 3.38Å; D85-F87 PolarHBondContact O-N 3.22Å; F87-K89 VanDerWaalsContact C-N 3.31Å; F87-K89 PolarHBondContact O-N 3.37Å; F87-T91 HydrophobicContact CE1-CG2 4.31Å; F87-T91 HydrophobicContact CZ-CG2 4.11Å; F87-T91 WeakPolarHBondContact O-CB 3.44Å; F87-T91 PolarHBondContact O-N 2.97Å; F87-T91 PolarHBondContact O-OG1 3.26Å; F87-F218 HydrophobicContact CE1-CE2 4.38Å; F87-F218 HydrophobicContact CE1-CZ 4.14Å
88F88.7Confident79.6Confident5 Ų578.9 Ų78.92%0.02239%0.386CS..Hα-helixtrans-71.3-23.6-177.5-65.6-44.2000114.1V54 L55 F80 G86 F218 E221 W222V54-F88 HydrophobicContact CG1-CD1 4.5Å; V54-F88 HydrophobicContact CG1-CE1 3.65Å; V54-F88 HydrophobicContact CG1-CZ 4.13Å; L55-F88 HydrophobicContact CD2-CE1 3.97Å; L55-F88 HydrophobicContact CD2-CZ 4.46Å; F80-F88 HydrophobicContact CB-CD2 3.86Å; F80-F88 HydrophobicContact CB-CE2 3.68Å; F80-F88 HydrophobicContact CD1-CD2 4.42Å; F80-F88 HydrophobicContact CD1-CE1 4.46Å; F80-F88 AromaticContact CD1-CE2 3.81Å; F80-F88 HydrophobicContact CD1-CE2 3.81Å; F80-F88 AromaticContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CE1-CZ 4.41Å; F80-F88 AromaticContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CZ 4.36Å; F80-F88 PolarHBondContact O-N 2.87Å; G86-F88 VanDerWaalsContact C-N 3.25Å; G86-F88 PolarHBondContact O-N 2.93Å; G86-F88 VanDerWaalsContact O-N 3.16Å; F88-F218 HydrophobicContact CB-CB 4.16Å; F88-F218 HydrophobicContact CD1-CB 3.83Å; F88-F218 AromaticContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CE1 4.5Å; F88-F218 AromaticContact CD1-CG 3.83Å; F88-F218 HydrophobicContact CD1-CG 3.83Å; F88-F218 AromaticContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CE1 4.47Å; F88-F218 HydrophobicContact CE1-CG 4.47Å; F88-F218 HydrophobicContact CG-CB 4.34Å; F88-E221 HydrophobicContact CE1-CB 4.45Å; F88-E221 HydrophobicContact CE2-CB 4.05Å; F88-E221 HydrophobicContact CZ-CB 3.97Å; F88-W222 HydrophobicContact CB-CB 4Å; F88-W222 HydrophobicContact CB-CG 4.47Å; F88-W222 HydrophobicContact CD2-CB 4.1Å; F88-W222 HydrophobicContact CG-CB 4.4Å
89K84.2Confident77.3Confident112 Ų11274.5 Ų74.549%0.48738%0.376SS..Hα-helixtrans-87.5-43.7177.4-166.4177.1178.5-178.50111.4P83 G86 F87 K92P83-K89 WeakPolarHBondContact O-CD 2.97Å; P83-K89 WeakPolarHBondContact O-CE 3.46Å; P83-K89 PolarHBondContact O-NZ 3.42Å; G86-K89 PolarHBondContact O-N 3.12Å; F87-K89 VanDerWaalsContact C-N 3.31Å; F87-K89 PolarHBondContact O-N 3.37Å; K89-K92 WeakPolarHBondContact O-CE 3.34Å
90K85Confident75.3Confident135 Ų13574 Ų7459%0.58739%0.387SS*.Hα-helixtrans-71.2-43.3-178.9179.9177.4-169.6166.10113.1D85 G86 K92D85-K90 WeakPolarHBondContact OD1-CD 3.31Å; D85-K90 WeakPolarHBondContact OD1-CE 3.37Å; D85-K90 IonicContact OD1-NZ 3.27Å; D85-K90 PolarHBondContact OD1-NZ 3.11Å; D85-K90 IonicContact OD2-NZ 2.72Å; G86-K90 WeakPolarHBondContact O-CB 3.48Å; G86-K90 PolarHBondContact O-N 2.98Å; K90-K92 PolarHBondContact O-N 3.1Å; K90-K92 VanDerWaalsContact O-N 3.07Å
91T83.3Confident73.4Confident24 Ų2480.8 Ų80.815%0.14742%0.42CS..  trans-79.499.2-175.7-53.50000109.1F87 R93 F218F87-T91 HydrophobicContact CE1-CG2 4.31Å; F87-T91 HydrophobicContact CZ-CG2 4.11Å; F87-T91 WeakPolarHBondContact O-CB 3.44Å; F87-T91 PolarHBondContact O-N 2.97Å; F87-T91 PolarHBondContact O-OG1 3.26Å; T91-R93 HydrophobicContact CG2-CG 4.36Å; T91-F218 HydrophobicContact CG2-CE2 3.87Å; T91-F218 WeakPolarHBondContact O-CD2 3.11Å
92K81.2Confident71.6Confident143 Ų14384.5 Ų84.562%0.62244%0.444SS*.PPolyproline II helixtrans-100.1120.3168.2-62.9-59.8-178.4-168.60109.3K89 K90 N215K89-K92 WeakPolarHBondContact O-CE 3.34Å; K90-K92 PolarHBondContact O-N 3.1Å; K90-K92 VanDerWaalsContact O-N 3.07Å; K92-N215 WeakPolarHBondContact CA-OD1 3.46Å
93R80.2Confident69.8Low52 Ų5288 Ų8820%0.19646%0.462CS..PPolyproline II helixtrans-94.8149.3176.7-62.1-64.4-174.9-163.71108.8E47 D51 T91 V95 T214 N215 F218E47-R93 WeakPolarHBondContact OE1-CD 3.32Å; E47-R93 IonicContact OE1-CZ 2.7Å; E47-R93 IonicContact OE1-NE 2.88Å; E47-R93 PolarHBondContact OE1-NE 3.45Å; E47-R93 IonicContact OE1-NH1 2.61Å; E47-R93 PolarHBondContact OE1-NH1 3.17Å; D51-R93 IonicContact OD1-CZ 3.45Å; D51-R93 IonicContact OD1-NE 2.66Å; D51-R93 PolarHBondContact OD1-NE 2.79Å; D51-R93 IonicContact OD1-NH2 3.97Å; D51-R93 PolarHBondContact OD1-NH2 3.37Å; D51-R93 WeakPolarHBondContact OD2-CD 3.21Å; D51-R93 WeakPolarHBondContact OD2-CG 3.5Å; D51-R93 IonicContact OD2-CZ 2.65Å; D51-R93 IonicContact OD2-NE 3.14Å; D51-R93 PolarHBondContact OD2-NE 3.08Å; D51-R93 IonicContact OD2-NH2 3.33Å; T91-R93 HydrophobicContact CG2-CG 4.36Å; R93-V95 PolarHBondContact O-N 3.37Å; R93-V95 VanDerWaalsContact O-N 3.1Å; R93-T214 WeakPolarHBondContact CB-OG1 3.39Å; R93-N215 PolarHBondContact N-OD1 3.28Å; R93-N215 PolarHBondContact O-ND2 2.81Å; R93-F218 HydrophobicContact CG-CE2 3.96Å; R93-F218 HydrophobicContact CG-CZ 4.44Å
94K69.6Low68.6Low193 Ų19388.4 Ų88.484%0.83947%0.465SS*.PPolyproline II helixtrans-62.1119.3170.8-69.3-176.5-179.6179.10107.4V96K94-V96 VanDerWaalsContact C-N 3.26Å; K94-V96 PolarHBondContact O-N 3.03Å
95V60Low67.8Low72 Ų7284.7 Ų84.744%0.43645%0.453SS..  trans-66.895.5169-176.50000105.4R93 P97 N215R93-V95 PolarHBondContact O-N 3.37Å; R93-V95 VanDerWaalsContact O-N 3.1Å; V95-P97 WeakPolarHBondContact O-CD 3.49Å; V95-N215 WeakPolarHBondContact CG2-ND2 3.29Å
96V57.1Low66.7Low96 Ų9685.8 Ų85.858%0.58246%0.457SS*.  trans-63.9118.4159.1-177.70000103.6K94K94-V96 VanDerWaalsContact C-N 3.26Å; K94-V96 PolarHBondContact O-N 3.03Å
97P49.6Very low65.6Low84 Ų8488.1 Ų88.155%0.54547%0.469SS..  trans-47.9143.5-178.9-25.432000109.3V95 S99V95-P97 WeakPolarHBondContact O-CD 3.49Å; P97-S99 PolarHBondContact O-N 3.18Å
98P47.7Very low64.7Low90 Ų9089.4 Ų89.458%0.58448%0.48SS*.SBendtrans-66.871.3171.730.6-36000108.9P100 A212P98-P100 VanDerWaalsContact O-CD 3.29Å; P98-P100 WeakPolarHBondContact O-CD 3.44Å; P98-A212 HydrophobicContact CB-CB 3.58Å
99S43.1Very low63.6Low54 Ų5491.1 Ų91.138%0.37849%0.489SS..  trans-104.389.5154.7-68.80000104P97 M101 T102P97-S99 PolarHBondContact O-N 3.18Å; S99-M101 PolarHBondContact O-N 3.42Å; S99-T102 VanDerWaalsContact CB-OG1 3.28Å; S99-T102 WeakPolarHBondContact CB-OG1 3.18Å; S99-T102 PolarHBondContact O-N 2.83Å; S99-T102 PolarHBondContact O-OG1 2.86Å
100P52.5Low62.9Low102 Ų10291.7 Ų91.766%0.66250%0.495SS*.THydrogen-bonded Turntrans-55.5-2.7163.7-17.229.7000112.4P98 L107P98-P100 VanDerWaalsContact O-CD 3.29Å; P98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-L107 WeakPolarHBondContact O-CD1 3.27Å; P100-L107 VanDerWaalsContact O-CD2 3.29Å; P100-L107 WeakPolarHBondContact O-CD2 3.27Å; P100-L107 WeakPolarHBondContact O-CG 3.38Å
101M53.3Low62.3Low149 Ų14990.5 Ų90.573%0.73449%0.493SS*.THydrogen-bonded Turntrans-108.2-7-178.1-64-173.372.600116.6S99 L107S99-M101 PolarHBondContact O-N 3.42Å; M101-L107 HydrophobicContact CB-CD1 4.16Å; M101-L107 HydrophobicContact CG-CD1 3.94Å
102T52.4Low61.9Low87 Ų8793.9 Ų93.953%0.53451%0.506SS..SBendtrans-85-15.5-17539.70000115.2S99 P104S99-T102 VanDerWaalsContact CB-OG1 3.28Å; S99-T102 WeakPolarHBondContact CB-OG1 3.18Å; S99-T102 PolarHBondContact O-N 2.83Å; S99-T102 PolarHBondContact O-OG1 2.86Å; T102-P104 WeakPolarHBondContact O-CD 3.25Å
103D52.2Low61.5Low90 Ų9088.5 Ų88.548%0.48149%0.491SS..  trans-100.691.6163.8-83.8-33.4000108.7T105 M106 L107D103-T105 PolarHBondContact O-N 3.27Å; D103-M106 HydrophobicContact CB-CB 4.24Å; D103-M106 HydrophobicContact CB-CG 4.11Å; D103-M106 PolarHBondContact O-N 3.38Å; D103-M106 VanDerWaalsContact O-N 3.14Å; D103-L107 PolarHBondContact O-N 2.81Å
104P56.7Low61.4Low85 Ų8590.2 Ų90.255%0.55250%0.504SS*.Hα-helixtrans-46.1-34.8169-27.930000111.8T102 T108T102-P104 WeakPolarHBondContact O-CD 3.25Å; P104-T108 VanDerWaalsContact O-CB 3.22Å; P104-T108 WeakPolarHBondContact O-CB 3.4Å; P104-T108 WeakPolarHBondContact O-CG2 3.09Å; P104-T108 PolarHBondContact O-N 2.73Å; P104-T108 PolarHBondContact O-OG1 3.47Å
105T64.9Low61.9Low84 Ų8484.4 Ų84.452%0.51549%0.485SS..Hα-helixtrans-61.8-51.9179.854.70000112.2D103 L107 T108 D109D103-T105 PolarHBondContact O-N 3.27Å; T105-L107 PolarHBondContact O-N 3.43Å; T105-T108 WeakPolarHBondContact CA-OG1 3.47Å; T105-T108 PolarHBondContact O-N 3.37Å; T105-T108 PolarHBondContact O-OG1 2.99Å; T105-D109 WeakPolarHBondContact O-CB 3.4Å; T105-D109 VanDerWaalsContact O-CG 3.23Å; T105-D109 PolarHBondContact O-N 2.69Å
106M61.6Low62.9Low114 Ų11482.2 Ų82.256%0.56247%0.471SS*.Hα-helixtrans-64.5-43.1-179-69.9-167.673.300112.7D103 D109 M110D103-M106 HydrophobicContact CB-CB 4.24Å; D103-M106 HydrophobicContact CB-CG 4.11Å; D103-M106 PolarHBondContact O-N 3.38Å; D103-M106 VanDerWaalsContact O-N 3.14Å; M106-D109 PolarHBondContact O-N 3.28Å; M106-M110 PolarHBondContact O-N 3.07Å
107L64.9Low63.9Low48 Ų4878.6 Ų78.625%0.25145%0.449SS..Hα-helixtrans-63.9-45.3173.7-78.2-173.7000111.4P100 M101 D103 T105 D109 M110 M111P100-L107 WeakPolarHBondContact O-CD1 3.27Å; P100-L107 VanDerWaalsContact O-CD2 3.29Å; P100-L107 WeakPolarHBondContact O-CD2 3.27Å; P100-L107 WeakPolarHBondContact O-CG 3.38Å; M101-L107 HydrophobicContact CB-CD1 4.16Å; M101-L107 HydrophobicContact CG-CD1 3.94Å; D103-L107 PolarHBondContact O-N 2.81Å; T105-L107 PolarHBondContact O-N 3.43Å; L107-D109 PolarHBondContact O-N 3.13Å; L107-M110 HydrophobicContact CD2-CE 4.17Å; L107-M110 PolarHBondContact O-N 3.32Å; L107-M111 WeakPolarHBondContact O-CB 3.12Å; L107-M111 WeakPolarHBondContact O-CG 3.34Å; L107-M111 PolarHBondContact O-N 2.95Å
108T70.3Confident65.5Low59 Ų5977.2 Ų77.236%0.36244%0.439SS..Hα-helixtrans-61.1-34.6178.3620000111.2P104 T105 K112P104-T108 VanDerWaalsContact O-CB 3.22Å; P104-T108 WeakPolarHBondContact O-CB 3.4Å; P104-T108 WeakPolarHBondContact O-CG2 3.09Å; P104-T108 PolarHBondContact O-N 2.73Å; P104-T108 PolarHBondContact O-OG1 3.47Å; T105-T108 WeakPolarHBondContact CA-OG1 3.47Å; T105-T108 PolarHBondContact O-N 3.37Å; T105-T108 PolarHBondContact O-OG1 2.99Å; T108-K112 WeakPolarHBondContact O-CB 3.34Å; T108-K112 WeakPolarHBondContact O-CD 3.44Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.26Å
109D66.7Low67.3Low41 Ų4176.9 Ų76.922%0.21943%0.431CS..Hα-helixtrans-77.7-38.7179.9-67.3-17.2000112.7T105 M106 L107 M111 K112 G113T105-D109 WeakPolarHBondContact O-CB 3.4Å; T105-D109 VanDerWaalsContact O-CG 3.23Å; T105-D109 PolarHBondContact O-N 2.69Å; M106-D109 PolarHBondContact O-N 3.28Å; L107-D109 PolarHBondContact O-N 3.13Å; D109-M111 VanDerWaalsContact C-N 3.33Å; D109-K112 PolarHBondContact O-N 3.16Å; D109-K112 IonicContact OD1-NZ 3.63Å; D109-K112 PolarHBondContact OD1-NZ 3.33Å; D109-G113 PolarHBondContact O-N 3.2Å
110M69.6Low69.2Low123 Ų12375.4 Ų75.461%0.60642%0.421SS*.Hα-helixtrans-64-42.9171.2-174.2-177.575.100110.6M106 L107 G113 N114M106-M110 PolarHBondContact O-N 3.07Å; L107-M110 HydrophobicContact CD2-CE 4.17Å; L107-M110 PolarHBondContact O-N 3.32Å; M110-G113 PolarHBondContact O-N 3.1Å; M110-N114 WeakPolarHBondContact O-CB 3.38Å; M110-N114 PolarHBondContact O-N 2.78Å
111M72.4Confident70.7Confident111 Ų11173.3 Ų73.355%0.54740%0.403SS..Hα-helixtrans-63.4-45.9173.5-73.2-178.672.200110.7L107 D109 G113 N114 V115L107-M111 WeakPolarHBondContact O-CB 3.12Å; L107-M111 WeakPolarHBondContact O-CG 3.34Å; L107-M111 PolarHBondContact O-N 2.95Å; D109-M111 VanDerWaalsContact C-N 3.33Å; M111-G113 VanDerWaalsContact C-N 3.33Å; M111-G113 PolarHBondContact O-N 3.37Å; M111-N114 PolarHBondContact O-N 2.7Å; M111-V115 WeakPolarHBondContact O-CA 3.49Å; M111-V115 WeakPolarHBondContact O-CB 3.44Å; M111-V115 WeakPolarHBondContact O-CG2 3.27Å; M111-V115 PolarHBondContact O-N 2.81Å
112K73.6Confident72.4Confident94 Ų9471.5 Ų71.541%0.40940%0.395SS..Hα-helixtrans-58.2-46.5175.7-78.4166.5-158.8161.80110.5T108 D109 T116T108-K112 WeakPolarHBondContact O-CB 3.34Å; T108-K112 WeakPolarHBondContact O-CD 3.44Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.26Å; D109-K112 PolarHBondContact O-N 3.16Å; D109-K112 IonicContact OD1-NZ 3.63Å; D109-K112 PolarHBondContact OD1-NZ 3.33Å; K112-T116 VanDerWaalsContact O-CB 3.26Å; K112-T116 WeakPolarHBondContact O-CB 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.38Å; K112-T116 PolarHBondContact O-N 3.39Å; K112-T116 PolarHBondContact O-OG1 3.48Å
113G74Confident74.1Confident31 Ų3172.6 Ų72.632%0.3240%0.397SS..Hα-helixtrans-60.9-49.2176.500000112D109 M110 M111 T116 N117D109-G113 PolarHBondContact O-N 3.2Å; M110-G113 PolarHBondContact O-N 3.1Å; M111-G113 VanDerWaalsContact C-N 3.33Å; M111-G113 PolarHBondContact O-N 3.37Å; G113-T116 PolarHBondContact O-OG1 2.77Å; G113-N117 WeakPolarHBondContact O-CB 3.4Å; G113-N117 PolarHBondContact O-N 3.03Å; G113-N117 PolarHBondContact O-ND2 2.94Å
114N77.7Confident75.8Confident88 Ų8869 Ų6947%0.47138%0.378SS..Hα-helixtrans-68.9-42179.8-163.923.2000112.2M110 M111 N117 V118M110-N114 WeakPolarHBondContact O-CB 3.38Å; M110-N114 PolarHBondContact O-N 2.78Å; M111-N114 PolarHBondContact O-N 2.7Å; N114-N117 PolarHBondContact O-N 3.41Å; N114-V118 VanDerWaalsContact O-CB 3.31Å; N114-V118 WeakPolarHBondContact O-CB 3.3Å; N114-V118 VanDerWaalsContact O-CG2 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.43Å; N114-V118 PolarHBondContact O-N 3.38Å; N114-V118 WeakPolarHBondContact OD1-CG2 3.39Å
115V80.6Confident77.2Confident71 Ų7165.8 Ų65.843%0.4336%0.36SS..Hα-helixtrans-65.4-45.8178.4171.10000110.6M111 N117 V118 L119M111-V115 WeakPolarHBondContact O-CA 3.49Å; M111-V115 WeakPolarHBondContact O-CB 3.44Å; M111-V115 WeakPolarHBondContact O-CG2 3.27Å; M111-V115 PolarHBondContact O-N 2.81Å; V115-N117 PolarHBondContact O-N 3.35Å; V115-N117 VanDerWaalsContact O-N 3.11Å; V115-V118 PolarHBondContact O-N 3.28Å; V115-L119 HydrophobicContact CG1-CB 4.17Å; V115-L119 HydrophobicContact CG1-CD2 4.36Å; V115-L119 WeakPolarHBondContact O-CA 3.21Å; V115-L119 WeakPolarHBondContact O-CB 3.16Å; V115-L119 PolarHBondContact O-N 3.16Å
116T80.9Confident78.4Confident25 Ų2563.2 Ų63.215%0.15335%0.35CS..Hα-helixtrans-59.2-26.7176.1510000112.4L38 K112 G113 P120L38-T116 HydrophobicContact CD1-CG2 3.29Å; K112-T116 VanDerWaalsContact O-CB 3.26Å; K112-T116 WeakPolarHBondContact O-CB 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.38Å; K112-T116 PolarHBondContact O-N 3.39Å; K112-T116 PolarHBondContact O-OG1 3.48Å; G113-T116 PolarHBondContact O-OG1 2.77Å; T116-P120 WeakPolarHBondContact O-CD 3.35Å; T116-P120 WeakPolarHBondContact O-CG 3.26Å
117N77.4Confident79.7Confident20 Ų2064.1 Ų64.111%0.10735%0.348CS..Hα-helixtrans-89.1-38.4179.3-69.4-35.6000114R31 G113 N114 V115 M198R31-N117 PolarHBondContact NH1-O 3.48Å; R31-N117 PolarHBondContact NH2-OD1 3.37Å; G113-N117 WeakPolarHBondContact O-CB 3.4Å; G113-N117 PolarHBondContact O-N 3.03Å; G113-N117 PolarHBondContact O-ND2 2.94Å; N114-N117 PolarHBondContact O-N 3.41Å; V115-N117 PolarHBondContact O-N 3.35Å; V115-N117 VanDerWaalsContact O-N 3.11Å; N117-M198 HydrophobicContact CB-CE 3.41Å; N117-M198 VanDerWaalsContact CB-CE 3.41Å; N117-M198 HydrophobicContact CB-SD 3.48Å; N117-M198 WeakPolarHBondContact CB-SD 3.46Å; N117-M198 WeakPolarHBondContact ND2-CE 3.42Å; N117-M198 PolarHBondContact ND2-SD 2.8Å
118V83Confident80.9Confident55 Ų5562 Ų6233%0.33334%0.337SS..Hα-helixtrans-85.3-36.4-177.7171.90000111.9N114 V115 M121 I122N114-V118 VanDerWaalsContact O-CB 3.31Å; N114-V118 WeakPolarHBondContact O-CB 3.3Å; N114-V118 VanDerWaalsContact O-CG2 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.43Å; N114-V118 PolarHBondContact O-N 3.38Å; N114-V118 WeakPolarHBondContact OD1-CG2 3.39Å; V115-V118 PolarHBondContact O-N 3.28Å; V118-M121 WeakPolarHBondContact O-CB 3.31Å; V118-M121 PolarHBondContact O-N 3.41Å; V118-I122 HydrophobicContact CG1-CD1 3.6Å; V118-I122 HydrophobicContact CG1-CG1 4.04Å; V118-I122 PolarHBondContact O-N 2.82Å; V118-I122 VanDerWaalsContact O-N 3.1Å
119L86Confident81.7Confident83 Ų8362.3 Ų62.344%0.43534%0.336SS..Hα-helixtrans-57.2-45.6-176.2179.866.5000112.6V115 M121 I122 L123V115-L119 HydrophobicContact CG1-CB 4.17Å; V115-L119 HydrophobicContact CG1-CD2 4.36Å; V115-L119 WeakPolarHBondContact O-CA 3.21Å; V115-L119 WeakPolarHBondContact O-CB 3.16Å; V115-L119 PolarHBondContact O-N 3.16Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 PolarHBondContact O-N 2.97Å; L119-I122 PolarHBondContact O-N 2.89Å; L119-L123 HydrophobicContact CD1-CD1 3.9Å; L119-L123 HydrophobicContact CD1-CD2 4.45Å; L119-L123 HydrophobicContact CD1-CG 3.95Å; L119-L123 HydrophobicContact CD2-CD1 4.47Å; L119-L123 HydrophobicContact CG-CD1 3.81Å; L119-L123 HydrophobicContact CG-CG 4.26Å; L119-L123 WeakPolarHBondContact O-CB 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.61Å
120P83.5Confident82.7Confident23 Ų2367.3 Ų67.315%0.14936%0.359CS..Hα-helixtrans-60.9-36.2176.5-24.635.8000113.2V27 T116 I124V27-P120 HydrophobicContact CG1-CB 4.12Å; T116-P120 WeakPolarHBondContact O-CD 3.35Å; T116-P120 WeakPolarHBondContact O-CG 3.26Å; P120-I124 WeakPolarHBondContact O-CB 3.1Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.68Å
121M84Confident83.6Confident58 Ų5864.3 Ų64.329%0.28635%0.348SS..Hα-helixtrans-65.3-44.1177.8-63.3178.3177.700111.6V118 L119 G125 Q195V118-M121 WeakPolarHBondContact O-CB 3.31Å; V118-M121 PolarHBondContact O-N 3.41Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 PolarHBondContact O-N 2.97Å; M121-G125 VanDerWaalsContact O-CA 3.31Å; M121-G125 WeakPolarHBondContact O-CA 2.93Å; M121-G125 PolarHBondContact O-N 2.91Å; M121-Q195 HydrophobicContact CE-CG 4.1Å
122I87.4Confident84.3Confident111 Ų11160.3 Ų60.357%0.56933%0.328SS*.Hα-helixtrans-67.1-45.6179.7-64.7176.9000110.2V118 L119 G126V118-I122 HydrophobicContact CG1-CD1 3.6Å; V118-I122 HydrophobicContact CG1-CG1 4.04Å; V118-I122 PolarHBondContact O-N 2.82Å; V118-I122 VanDerWaalsContact O-N 3.1Å; L119-I122 PolarHBondContact O-N 2.89Å; I122-G126 WeakPolarHBondContact O-CA 3.06Å; I122-G126 PolarHBondContact O-N 3.1Å
123L88.7Confident84.9Confident110 Ų11059 Ų5958%0.57633%0.33SS*.Hα-helixtrans-65.3-49.5-178.1-69.4176.8000111.9L119 W127L119-L123 HydrophobicContact CD1-CD1 3.9Å; L119-L123 HydrophobicContact CD1-CD2 4.45Å; L119-L123 HydrophobicContact CD1-CG 3.95Å; L119-L123 HydrophobicContact CD2-CD1 4.47Å; L119-L123 HydrophobicContact CG-CD1 3.81Å; L119-L123 HydrophobicContact CG-CG 4.26Å; L119-L123 WeakPolarHBondContact O-CB 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.61Å; L123-W127 VanDerWaalsContact O-CB 3.27Å; L123-W127 WeakPolarHBondContact O-CB 3.08Å; L123-W127 PolarHBondContact O-N 2.71Å
124I87.2Confident85.3Confident15 Ų1559.7 Ų59.78%0.07734%0.337CS..Hα-helixtrans-71.6-44.6180-61.2164.5000110.6V27 P120 G126 W127 I128 Y172V27-I124 HydrophobicContact CB-CD1 3.74Å; V27-I124 HydrophobicContact CG1-CD1 3.48Å; V27-I124 VanDerWaalsContact CG1-CD1 3.48Å; V27-I124 HydrophobicContact CG1-CG1 4.41Å; V27-I124 HydrophobicContact CG2-CD1 3.99Å; V27-I124 HydrophobicContact CG2-CG1 4.48Å; P120-I124 WeakPolarHBondContact O-CB 3.1Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.68Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.38Å; I124-W127 WeakPolarHBondContact O-CB 3.48Å; I124-W127 PolarHBondContact O-N 3.41Å; I124-I128 HydrophobicContact CG2-CD1 3.63Å; I124-I128 HydrophobicContact CG2-CG1 4.16Å; I124-I128 WeakPolarHBondContact O-CB 3.26Å; I124-I128 VanDerWaalsContact O-CG1 3.28Å; I124-I128 WeakPolarHBondContact O-CG1 3.17Å; I124-I128 PolarHBondContact O-N 2.91Å; I124-Y172 HydrophobicContact CB-CD2 4.5Å; I124-Y172 HydrophobicContact CB-CE1 4.48Å; I124-Y172 HydrophobicContact CB-CE2 3.82Å; I124-Y172 HydrophobicContact CD1-CE2 3.87Å; I124-Y172 HydrophobicContact CG1-CE2 4.47Å; I124-Y172 HydrophobicContact CG2-CD2 3.53Å; I124-Y172 HydrophobicContact CG2-CE1 4.34Å; I124-Y172 HydrophobicContact CG2-CE2 3.29Å; I124-Y172 HydrophobicContact CG2-CG 4.15Å
125G87.3Confident85.8Confident17 Ų1760 Ų6018%0.17534%0.335CS..Hα-helixtrans-58.5-44.7176.900000111.7M121 I128 N129M121-G125 VanDerWaalsContact O-CA 3.31Å; M121-G125 WeakPolarHBondContact O-CA 2.93Å; M121-G125 PolarHBondContact O-N 2.91Å; G125-I128 PolarHBondContact O-N 3.19Å; G125-N129 PolarHBondContact O-N 3.4Å; G125-N129 PolarHBondContact O-ND2 2.79Å
126G89Confident86.1Confident31 Ų3157.2 Ų57.232%0.3232%0.318SS..Hα-helixtrans-61.8-47.317400000112.3I122 I124 I128 N129 M130I122-G126 WeakPolarHBondContact O-CA 3.06Å; I122-G126 PolarHBondContact O-N 3.1Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.38Å; G126-I128 VanDerWaalsContact C-N 3.33Å; G126-I128 PolarHBondContact O-N 3.32Å; G126-N129 PolarHBondContact O-N 3.31Å; G126-M130 WeakPolarHBondContact O-CG 3.42Å; G126-M130 PolarHBondContact O-N 3.11Å
127W90.4Very high86.3Confident133 Ų13356.2 Ų56.250%0.50431%0.312SS..Hα-helixtrans-57.3-43.4176.4178.3-101.8000113.1L123 I124 M130 T131L123-W127 VanDerWaalsContact O-CB 3.27Å; L123-W127 WeakPolarHBondContact O-CB 3.08Å; L123-W127 PolarHBondContact O-N 2.71Å; I124-W127 WeakPolarHBondContact O-CB 3.48Å; I124-W127 PolarHBondContact O-N 3.41Å; W127-M130 HydrophobicContact CE3-CE 4.12Å; W127-M130 PolarHBondContact O-N 3.15Å; W127-T131 WeakPolarHBondContact O-CB 3.15Å; W127-T131 PolarHBondContact O-N 3.19Å; W127-T131 PolarHBondContact O-OG1 2.78Å
128I88.8Confident86.7Confident4 Ų457.6 Ų57.62%0.02132%0.321CS..Hα-helixtrans-69.3-39.5179.3-68.3174.9000111.1I20 I124 G125 G126 M130 T131 F132 S133 A169 Y172I20-I128 HydrophobicContact CD1-CD1 4.49Å; I20-I128 HydrophobicContact CG1-CD1 4.29Å; I20-I128 HydrophobicContact CG2-CD1 4.04Å; I124-I128 HydrophobicContact CG2-CD1 3.63Å; I124-I128 HydrophobicContact CG2-CG1 4.16Å; I124-I128 WeakPolarHBondContact O-CB 3.26Å; I124-I128 VanDerWaalsContact O-CG1 3.28Å; I124-I128 WeakPolarHBondContact O-CG1 3.17Å; I124-I128 PolarHBondContact O-N 2.91Å; G125-I128 PolarHBondContact O-N 3.19Å; G126-I128 VanDerWaalsContact C-N 3.33Å; G126-I128 PolarHBondContact O-N 3.32Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 2.78Å; I128-T131 PolarHBondContact O-N 2.8Å; I128-F132 HydrophobicContact CG1-CD2 4.48Å; I128-F132 HydrophobicContact CG2-CB 4.34Å; I128-F132 CarbonylContact O-C 3.38Å; I128-F132 WeakPolarHBondContact O-CA 3.34Å; I128-F132 PolarHBondContact O-N 2.69Å; I128-S133 PolarHBondContact O-N 2.76Å; I128-A169 HydrophobicContact CG2-CB 4.47Å; I128-Y172 HydrophobicContact CD1-CD1 4.37Å; I128-Y172 HydrophobicContact CD1-CD2 3.91Å; I128-Y172 HydrophobicContact CD1-CG 3.61Å
129N87Confident86.8Confident65 Ų6559.7 Ų59.735%0.34833%0.326SS..Hα-helixtrans-65.7-32.7173.6-79.7-75.2000112.2G125 G126 S133G125-N129 PolarHBondContact O-N 3.4Å; G125-N129 PolarHBondContact O-ND2 2.79Å; G126-N129 PolarHBondContact O-N 3.31Å; N129-S133 WeakPolarHBondContact O-CB 3.17Å
130M87.3Confident86.7Confident145 Ų14556.7 Ų56.771%0.71431%0.311SS*.Hα-helixtrans-74.9-39.7175.6-69.5-175.2-60.400112.8G126 W127 I128G126-M130 WeakPolarHBondContact O-CG 3.42Å; G126-M130 PolarHBondContact O-N 3.11Å; W127-M130 HydrophobicContact CE3-CE 4.12Å; W127-M130 PolarHBondContact O-N 3.15Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 2.78Å
131T88.8Confident86.7Confident60 Ų6061.8 Ų61.837%0.36834%0.344SS..Hα-helixtrans-97.4-33.9-168.4-470000113.3W127 I128W127-T131 WeakPolarHBondContact O-CB 3.15Å; W127-T131 PolarHBondContact O-N 3.19Å; W127-T131 PolarHBondContact O-OG1 2.78Å; I128-T131 PolarHBondContact O-N 2.8Å
132F87.5Confident86.8Confident28 Ų2864.8 Ų64.812%0.12336%0.356CS..SBendtrans-128.919.7-169.8-54.9-68.5000113.4V16 I20 I128 F135 S168V16-F132 HydrophobicContact CB-CD1 4.18Å; V16-F132 HydrophobicContact CB-CE1 4.3Å; V16-F132 HydrophobicContact CG1-CB 4.16Å; V16-F132 HydrophobicContact CG1-CD1 3.68Å; V16-F132 HydrophobicContact CG1-CE1 4.18Å; V16-F132 HydrophobicContact CG1-CG 3.95Å; V16-F132 HydrophobicContact CG2-CD1 3.79Å; V16-F132 HydrophobicContact CG2-CE1 3.95Å; I20-F132 HydrophobicContact CD1-CD2 4.14Å; I20-F132 HydrophobicContact CG1-CD2 4.22Å; I20-F132 HydrophobicContact CG1-CE2 4.18Å; I128-F132 HydrophobicContact CG1-CD2 4.48Å; I128-F132 HydrophobicContact CG2-CB 4.34Å; I128-F132 CarbonylContact O-C 3.38Å; I128-F132 WeakPolarHBondContact O-CA 3.34Å; I128-F132 PolarHBondContact O-N 2.69Å; F132-F135 HydrophobicContact CB-CD2 4.38Å; F132-F135 PolarHBondContact O-N 2.98Å; F132-S168 WeakPolarHBondContact O-CB 3.34Å; F132-S168 PolarHBondContact O-OG 3.47Å
133S86Confident86.3Confident65 Ų6565.8 Ų65.846%0.45537%0.369SS..THydrogen-bonded Turntrans-63.8148.1172.2176.20000111.5I128 N129 F135 G155I128-S133 PolarHBondContact O-N 2.76Å; N129-S133 WeakPolarHBondContact O-CB 3.17Å; S133-F135 WeakPolarHBondContact O-CD2 3.49Å; S133-F135 PolarHBondContact O-N 3.15Å; S133-G155 PolarHBondContact OG-O 2.7Å
134G83.8Confident85.8Confident46 Ų4662.2 Ų62.247%0.47435%0.351SS..THydrogen-bonded Turntrans78.2-14.7-175.900000115.9G155G134-G155 PolarHBondContact N-O 2.76Å
135F86.4Confident85.6Confident95 Ų9565.3 Ų65.342%0.41737%0.371SS..  trans-80.4136.9178.8-71.2-85.6000112.5I12 F132 S133 S167 S168I12-F135 HydrophobicContact CD1-CB 4.24Å; I12-F135 HydrophobicContact CD1-CD1 3.72Å; I12-F135 HydrophobicContact CD1-CG 4.43Å; I12-F135 HydrophobicContact CG1-CD1 4.46Å; F132-F135 HydrophobicContact CB-CD2 4.38Å; F132-F135 PolarHBondContact O-N 2.98Å; S133-F135 WeakPolarHBondContact O-CD2 3.49Å; S133-F135 PolarHBondContact O-N 3.15Å; F135-S167 WeakPolarHBondContact O-CA 3.48Å; F135-S168 WeakPolarHBondContact CB-OG 3.48Å; F135-S168 PolarHBondContact O-N 2.84Å; F135-S168 VanDerWaalsContact O-N 3.16Å; F135-S168 PolarHBondContact O-OG 3.33Å
136V86.8Confident85.2Confident13 Ų1370.7 Ų70.78%0.07940%0.395CS..EExtended strand (participates in β ladder)trans-98.7125169.7178.50000108.3L8 I12 I156 L161 W165L8-V136 HydrophobicContact CD2-CB 4.17Å; L8-V136 HydrophobicContact CD2-CG1 4.27Å; L8-V136 VanDerWaalsContact CD2-O 3.29Å; L8-V136 WeakPolarHBondContact CD2-O 3.47Å; I12-V136 WeakPolarHBondContact CD1-O 3.23Å; V136-I156 HydrophobicContact CG2-CD1 3.61Å; V136-L161 HydrophobicContact CG2-CD2 3.86Å; V136-W165 HydrophobicContact CG1-CB 3.85Å; V136-W165 HydrophobicContact CG1-CD2 3.9Å; V136-W165 HydrophobicContact CG1-CE3 3.36Å; V136-W165 HydrophobicContact CG1-CG 4.16Å; V136-W165 HydrophobicContact CG1-CZ3 4.18Å
137T85.8Confident84.9Confident3 Ų379.9 Ų79.92%0.01842%0.42CS..EExtended strand (participates in β ladder)trans-96.9-50.1-170.9530000113.3V16 V17 V166 W171V16-T137 HydrophobicContact CG1-CG2 4.05Å; V17-T137 HydrophobicContact CG2-CG2 4.11Å; T137-V166 PolarHBondContact N-O 3.09Å; T137-V166 PolarHBondContact OG1-O 3.06Å; T137-W171 HydrophobicContact CG2-CB 4.23Å; T137-W171 HydrophobicContact CG2-CG 4.46Å
138T85.8Confident84.5Confident50 Ų5078 Ų7831%0.30742%0.415SS..EExtended strand (participates in β ladder)trans-151.2160.1-172.4-172.60000111.7V166 W171T138-V166 HydrophobicContact CG2-CB 3.93Å; T138-V166 HydrophobicContact CG2-CG2 4Å; T138-V166 WeakPolarHBondContact O-CB 3.28Å; T138-V166 PolarHBondContact O-N 3.16Å; T138-W171 HydrophobicContact CG2-CE3 3.79Å; T138-W171 HydrophobicContact CG2-CZ3 3.9Å
139K84.7Confident84.1Confident98 Ų9879.6 Ų79.643%0.42642%0.422SS..EExtended strand (participates in β ladder)trans-107.4126.8173.7-171.8-179.7177.5-177.70108.9S164 W165K139-S164 WeakPolarHBondContact CA-O 3.42Å; K139-S164 WeakPolarHBondContact CE-OG 2.99Å; K139-W165 HydrophobicContact CB-CD2 4.35Å; K139-W165 HydrophobicContact CB-CE3 3.82Å; K139-W165 HydrophobicContact CB-CH2 4.17Å; K139-W165 HydrophobicContact CB-CZ3 3.71Å; K139-W165 HydrophobicContact CD-CH2 4.32Å; K139-W165 HydrophobicContact CD-CZ2 4.17Å; K139-W165 HydrophobicContact CG-CD2 4.47Å; K139-W165 HydrophobicContact CG-CE3 4.42Å; K139-W165 HydrophobicContact CG-CZ3 4.5Å
140V85.2Confident84Confident20 Ų2081.3 Ų81.312%0.12144%0.437CS..  trans-69.2134.7175.4-178.80000109.6F142 L144 S164 V166V140-F142 HydrophobicContact CG1-CD1 3.37Å; V140-F142 HydrophobicContact CG1-CD2 3.74Å; V140-F142 HydrophobicContact CG1-CE1 3.12Å; V140-F142 HydrophobicContact CG1-CE2 3.53Å; V140-F142 HydrophobicContact CG1-CG 3.68Å; V140-F142 HydrophobicContact CG1-CZ 3.21Å; V140-F142 PolarHBondContact O-N 3.36Å; V140-L144 HydrophobicContact CB-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 HydrophobicContact CG2-CD1 3.89Å; V140-S164 PolarHBondContact N-O 3.36Å; V140-V166 HydrophobicContact CG2-CG2 3.55Å
141P82.4Confident83.7Confident131 Ų13179.3 Ų79.385%0.85143%0.427SS*.SBendtrans-79.2-1.2-173.331.5-36.1000114.5
142F87Confident83.4Confident120 Ų12077 Ų7753%0.52641%0.412SS..SBendtrans-118.1147.8-179.951.7-93.6000111.2V140 L144V140-F142 HydrophobicContact CG1-CD1 3.37Å; V140-F142 HydrophobicContact CG1-CD2 3.74Å; V140-F142 HydrophobicContact CG1-CE1 3.12Å; V140-F142 HydrophobicContact CG1-CE2 3.53Å; V140-F142 HydrophobicContact CG1-CG 3.68Å; V140-F142 HydrophobicContact CG1-CZ 3.21Å; V140-F142 PolarHBondContact O-N 3.36Å; F142-L144 HydrophobicContact CD2-CD2 3.95Å; F142-L144 HydrophobicContact CD2-CG 3.9Å; F142-L144 HydrophobicContact CE2-CD1 4.27Å; F142-L144 HydrophobicContact CE2-CD2 3.47Å; F142-L144 VanDerWaalsContact CE2-CD2 3.47Å; F142-L144 HydrophobicContact CE2-CG 3.76Å; F142-L144 PolarHBondContact O-N 3.47Å
143P77.4Confident83.1Confident132 Ų13276.3 Ų76.386%0.85741%0.409SS*.PPolyproline II helixtrans-64.8121.4178.327-33.7000109.7
144L77.8Confident82.9Confident35 Ų3577.8 Ų77.818%0.18341%0.409CS..PPolyproline II helixtrans-102138.6178.4-82.1167.9000110.5V140 F142 F148 L152V140-L144 HydrophobicContact CB-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 HydrophobicContact CG2-CD1 3.89Å; F142-L144 HydrophobicContact CD2-CD2 3.95Å; F142-L144 HydrophobicContact CD2-CG 3.9Å; F142-L144 HydrophobicContact CE2-CD1 4.27Å; F142-L144 HydrophobicContact CE2-CD2 3.47Å; F142-L144 VanDerWaalsContact CE2-CD2 3.47Å; F142-L144 HydrophobicContact CE2-CG 3.76Å; F142-L144 PolarHBondContact O-N 3.47Å; L144-F148 HydrophobicContact CD2-CB 4.31Å; L144-F148 HydrophobicContact CD2-CD2 3.75Å; L144-F148 HydrophobicContact CD2-CE2 4.22Å; L144-F148 HydrophobicContact CD2-CG 4.01Å; L144-L152 HydrophobicContact CD1-CD1 3.32Å
145T82.1Confident82.6Confident81 Ų8177.2 Ų77.250%0.49740%0.403SS..PPolyproline II helixtrans-68.2149.8173.169.90000110.4R147 F148T145-R147 PolarHBondContact O-N 2.91Å; T145-F148 PolarHBondContact O-N 3.38Å; T145-F148 VanDerWaalsContact OG1-CD2 3.29Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.39Å; T145-F148 WeakPolarHBondContact OG1-CE2 2.92Å
146L80Confident82.4Confident130 Ų13073.7 Ų73.768%0.68139%0.389SS*.G310 helixtrans-56.1-19.6179.6-172.961.9000113.5F148 K149L146-F148 PolarHBondContact O-N 2.94Å; L146-K149 HydrophobicContact CD1-CB 4.2Å; L146-K149 HydrophobicContact CD1-CD 3.63Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 2.89Å
147R82.5Confident81.8Confident224 Ų22482.4 Ų82.485%0.84543%0.428SS*.G310 helixtrans-64.5-24.8176.3-63.7-174.6177.9-179.20.1113.8T145 K149T145-R147 PolarHBondContact O-N 2.91Å; R147-K149 VanDerWaalsContact C-N 3.33Å
148F80.8Confident81.3Confident92 Ų9286.6 Ų86.640%0.40445%0.45SS..G310 helixtrans-82.9-11.4177.5-67.7-77.4000113.2L144 T145 L146 M151 L152L144-F148 HydrophobicContact CD2-CB 4.31Å; L144-F148 HydrophobicContact CD2-CD2 3.75Å; L144-F148 HydrophobicContact CD2-CE2 4.22Å; L144-F148 HydrophobicContact CD2-CG 4.01Å; T145-F148 PolarHBondContact O-N 3.38Å; T145-F148 VanDerWaalsContact OG1-CD2 3.29Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.39Å; T145-F148 WeakPolarHBondContact OG1-CE2 2.92Å; L146-F148 PolarHBondContact O-N 2.94Å; F148-M151 HydrophobicContact CD1-SD 4.35Å; F148-M151 WeakPolarHBondContact O-CB 3.05Å; F148-M151 PolarHBondContact O-N 2.77Å; F148-M151 VanDerWaalsContact O-N 3.07Å; F148-L152 HydrophobicContact CB-CD1 4.28Å; F148-L152 PolarHBondContact O-N 3.44Å
149K81.2Confident80.6Confident38 Ų3891.6 Ų91.617%0.16547%0.474CS..Hα-helixtrans-54.3-51.8-178.1-171170.3178.21620114L146 R147 M151 L152 Q153 L159 L161 A163L146-K149 HydrophobicContact CD1-CB 4.2Å; L146-K149 HydrophobicContact CD1-CD 3.63Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 2.89Å; R147-K149 VanDerWaalsContact C-N 3.33Å; K149-M151 PolarHBondContact O-N 2.9Å; K149-L152 PolarHBondContact O-N 2.62Å; K149-Q153 HydrophobicContact CG-CG 4.42Å; K149-Q153 WeakPolarHBondContact O-CB 3.35Å; K149-Q153 PolarHBondContact O-N 3.31Å; K149-L159 PolarHBondContact NZ-O 2.65Å; K149-L161 WeakPolarHBondContact CE-O 3.46Å; K149-L161 PolarHBondContact NZ-O 3.19Å; K149-A163 HydrophobicContact CB-CB 4.13Å
150P84.1Confident80.3Confident101 Ų10193.4 Ų93.466%0.65649%0.494SS*.Hα-helixtrans-62.7-27178.424.4-35000113.3
151M82.4Confident80Confident104 Ų10493.1 Ų93.151%0.51249%0.491SS..Hα-helixtrans-76.8-38.8178-179.9-176.8173.900112.2F148 K149 S170F148-M151 HydrophobicContact CD1-SD 4.35Å; F148-M151 WeakPolarHBondContact O-CB 3.05Å; F148-M151 PolarHBondContact O-N 2.77Å; F148-M151 VanDerWaalsContact O-N 3.07Å; K149-M151 PolarHBondContact O-N 2.9Å; M151-S170 WeakPolarHBondContact O-CB 3.22Å; M151-S170 PolarHBondContact O-OG 2.84Å
152L81.5Confident80Confident12 Ų1291.3 Ų91.36%0.06347%0.474CS..Hα-helixtrans-92.7-20.7-175-69.1177.3000114.4L144 F148 K149 V166 S167 S170L144-L152 HydrophobicContact CD1-CD1 3.32Å; F148-L152 HydrophobicContact CB-CD1 4.28Å; F148-L152 PolarHBondContact O-N 3.44Å; K149-L152 PolarHBondContact O-N 2.62Å; L152-V166 HydrophobicContact CD2-CG1 4.41Å; L152-V166 HydrophobicContact CD2-CG2 4.31Å; L152-S167 PolarHBondContact O-N 2.7Å; L152-S167 PolarHBondContact O-OG 3.3Å; L152-S170 VanDerWaalsContact CA-OG 3.24Å; L152-S170 WeakPolarHBondContact CA-OG 3.19Å; L152-S170 VanDerWaalsContact O-CB 3.25Å; L152-S170 WeakPolarHBondContact O-CB 3.47Å; L152-S170 PolarHBondContact O-OG 3.42Å
153Q82.6Confident79.6Confident13 Ų1385.8 Ų85.86%0.06145%0.451CS..SBendtrans-113.525.3-178.3-62.6-176.9-0.900112.2K149 G155 I156 L161 D162 W165K149-Q153 HydrophobicContact CG-CG 4.42Å; K149-Q153 WeakPolarHBondContact O-CB 3.35Å; K149-Q153 PolarHBondContact O-N 3.31Å; Q153-G155 PolarHBondContact O-N 3.38Å; Q153-I156 PolarHBondContact O-N 2.84Å; Q153-L161 HydrophobicContact CG-CD2 4.43Å; Q153-D162 PolarHBondContact NE2-O 3.25Å; Q153-W165 WeakPolarHBondContact CG-O 3.05Å
154Q80.4Confident79.9Confident95 Ų9579.8 Ų79.844%0.44441%0.412SS..THydrogen-bonded Turntrans-59.1127.6174.2-170.4176.62.900109.4S167Q154-S167 VanDerWaalsContact O-CB 3.32Å; Q154-S167 WeakPolarHBondContact O-CB 3.45Å; Q154-S167 PolarHBondContact O-OG 3.42Å
155G78.9Confident80.3Confident34 Ų3479.4 Ų79.435%0.35141%0.408SS..THydrogen-bonded Turntrans85.210.3-176.400000115.2S133 G134 Q153S133-G155 PolarHBondContact OG-O 2.7Å; G134-G155 PolarHBondContact N-O 2.76Å; Q153-G155 PolarHBondContact O-N 3.38Å
156I81.4Confident80.7Confident22 Ų2275.5 Ų75.511%0.11339%0.385CS..  trans-122.5124.7175-53.3-177.8000109.5V136 Q153 L158 L161V136-I156 HydrophobicContact CG2-CD1 3.61Å; Q153-I156 PolarHBondContact O-N 2.84Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 HydrophobicContact CG2-CB 3.88Å; I156-L158 HydrophobicContact CG2-CD1 3.74Å; I156-L158 HydrophobicContact CG2-CG 4.09Å; I156-L158 PolarHBondContact O-N 2.85Å; I156-L161 HydrophobicContact CG2-CD2 4.47Å
157E75Confident81.1Confident195 Ų19569.4 Ų69.491%0.91135%0.353SS*.  trans-91.622.4-178.2-62-174.7169.200113.7L159E157-L159 PolarHBondContact O-N 2.88Å
158L74.5Confident81.5Confident91 Ų9158.8 Ų58.848%0.47631%0.313SS..  trans-94.892.3-176.5-74.5155.1000111.5I156 T160 L161I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 HydrophobicContact CG2-CB 3.88Å; I156-L158 HydrophobicContact CG2-CD1 3.74Å; I156-L158 HydrophobicContact CG2-CG 4.09Å; I156-L158 PolarHBondContact O-N 2.85Å; L158-T160 PolarHBondContact O-N 3Å; L158-L161 HydrophobicContact CB-CB 4.04Å; L158-L161 WeakPolarHBondContact O-CB 3.38Å; L158-L161 PolarHBondContact O-N 2.87Å
159L71.2Confident81.9Confident155 Ų15554.8 Ų54.881%0.81230%0.297SS*.THydrogen-bonded Turntrans-61.2-27.2178.5-69.6173.6000113.8K149 E157 L161K149-L159 PolarHBondContact NZ-O 2.65Å; E157-L159 PolarHBondContact O-N 2.88Å; L159-L161 VanDerWaalsContact C-N 3.35Å
160T78.1Confident82.2Confident137 Ų13753.1 Ų53.184%0.8429%0.29SS*.THydrogen-bonded Turntrans-84.8-7.1-178.554.30000113.8L158L158-T160 PolarHBondContact O-N 3Å
161L78.2Confident82.5Confident13 Ų1350.7 Ų50.77%0.06827%0.268CS..SBendtrans-71.5134.2-178.4-166.666.4000110.9L6 V136 K149 Q153 I156 L158 L159 W165L6-L161 HydrophobicContact CD1-CD1 4.26Å; V136-L161 HydrophobicContact CG2-CD2 3.86Å; K149-L161 WeakPolarHBondContact CE-O 3.46Å; K149-L161 PolarHBondContact NZ-O 3.19Å; Q153-L161 HydrophobicContact CG-CD2 4.43Å; I156-L161 HydrophobicContact CG2-CD2 4.47Å; L158-L161 HydrophobicContact CB-CB 4.04Å; L158-L161 WeakPolarHBondContact O-CB 3.38Å; L158-L161 PolarHBondContact O-N 2.87Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L161-W165 HydrophobicContact CD1-CB 4.19Å; L161-W165 HydrophobicContact CD1-CG 3.78Å; L161-W165 HydrophobicContact CD2-CB 3.69Å; L161-W165 HydrophobicContact CD2-CG 4.2Å; L161-W165 HydrophobicContact CG-CB 3.84Å; L161-W165 HydrophobicContact CG-CG 3.93Å
162D82.1Confident82.9Confident93 Ų9346.1 Ų46.150%0.49725%0.245SC..  trans-64142.3175.4-179.831.9000111.4Q153 S164 W165Q153-D162 PolarHBondContact NE2-O 3.25Å; D162-S164 PolarHBondContact O-N 3.19Å; D162-S164 WeakPolarHBondContact OD2-CB 3.49Å; D162-S164 PolarHBondContact OD2-OG 3.43Å; D162-W165 PolarHBondContact O-N 3.18Å; D162-W165 VanDerWaalsContact O-N 3.13Å
163A79.8Confident83.1Confident4 Ų449.3 Ų49.33%0.03326%0.258CS..THydrogen-bonded Turntrans-64.5-12.3-175.300000113.8K149 W165K149-A163 HydrophobicContact CB-CB 4.13Å; A163-W165 VanDerWaalsContact C-N 3.26Å; A163-W165 PolarHBondContact O-N 3.42Å
164S83.8Confident83.4Confident7 Ų751.8 Ų51.85%0.04927%0.272CS..THydrogen-bonded Turntrans-70.4-18.6174.663.20000113.8K139 V140 D162K139-S164 WeakPolarHBondContact CA-O 3.42Å; K139-S164 WeakPolarHBondContact CE-OG 2.99Å; V140-S164 PolarHBondContact N-O 3.36Å; D162-S164 PolarHBondContact O-N 3.19Å; D162-S164 WeakPolarHBondContact OD2-CB 3.49Å; D162-S164 PolarHBondContact OD2-OG 3.43Å
165W86Confident83.8Confident26 Ų2648 Ų4810%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-82.4134.7-180-68.2106.1000112.6L6 L8 V136 K139 Q153 L161 D162 A163L6-W165 HydrophobicContact CB-CH2 4.1Å; L6-W165 HydrophobicContact CB-CZ2 3.55Å; L6-W165 WeakPolarHBondContact O-CH2 3.28Å; L8-W165 HydrophobicContact CD1-CE3 4.24Å; L8-W165 HydrophobicContact CD1-CH2 4.17Å; L8-W165 HydrophobicContact CD1-CZ3 3.4Å; L8-W165 VanDerWaalsContact CD1-CZ3 3.4Å; L8-W165 HydrophobicContact CG-CH2 4.2Å; L8-W165 HydrophobicContact CG-CZ3 3.82Å; V136-W165 HydrophobicContact CG1-CB 3.85Å; V136-W165 HydrophobicContact CG1-CD2 3.9Å; V136-W165 HydrophobicContact CG1-CE3 3.36Å; V136-W165 HydrophobicContact CG1-CG 4.16Å; V136-W165 HydrophobicContact CG1-CZ3 4.18Å; K139-W165 HydrophobicContact CB-CD2 4.35Å; K139-W165 HydrophobicContact CB-CE3 3.82Å; K139-W165 HydrophobicContact CB-CH2 4.17Å; K139-W165 HydrophobicContact CB-CZ3 3.71Å; K139-W165 HydrophobicContact CD-CH2 4.32Å; K139-W165 HydrophobicContact CD-CZ2 4.17Å; K139-W165 HydrophobicContact CG-CD2 4.47Å; K139-W165 HydrophobicContact CG-CE3 4.42Å; K139-W165 HydrophobicContact CG-CZ3 4.5Å; Q153-W165 WeakPolarHBondContact CG-O 3.05Å; L161-W165 HydrophobicContact CD1-CB 4.19Å; L161-W165 HydrophobicContact CD1-CG 3.78Å; L161-W165 HydrophobicContact CD2-CB 3.69Å; L161-W165 HydrophobicContact CD2-CG 4.2Å; L161-W165 HydrophobicContact CG-CB 3.84Å; L161-W165 HydrophobicContact CG-CG 3.93Å; D162-W165 PolarHBondContact O-N 3.18Å; D162-W165 VanDerWaalsContact O-N 3.13Å; A163-W165 VanDerWaalsContact C-N 3.26Å; A163-W165 PolarHBondContact O-N 3.42Å
166V89.4Confident84.1Confident0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-108.6127.7-175.2-174.10000110.5T137 T138 V140 L152 W171 L174T137-V166 PolarHBondContact N-O 3.09Å; T137-V166 PolarHBondContact OG1-O 3.06Å; T138-V166 HydrophobicContact CG2-CB 3.93Å; T138-V166 HydrophobicContact CG2-CG2 4Å; T138-V166 WeakPolarHBondContact O-CB 3.28Å; T138-V166 PolarHBondContact O-N 3.16Å; V140-V166 HydrophobicContact CG2-CG2 3.55Å; L152-V166 HydrophobicContact CD2-CG1 4.41Å; L152-V166 HydrophobicContact CD2-CG2 4.31Å; V166-W171 HydrophobicContact CG1-CB 4.21Å; V166-L174 HydrophobicContact CG1-CD1 3.95Å; V166-L174 HydrophobicContact CG2-CD1 4.4Å
167S90.2Very high84.2Confident2 Ų250.7 Ų50.71%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-74.6163.417378.60000112.3F135 L152 Q154 A169 S170 W171F135-S167 WeakPolarHBondContact O-CA 3.48Å; L152-S167 PolarHBondContact O-N 2.7Å; L152-S167 PolarHBondContact O-OG 3.3Å; Q154-S167 VanDerWaalsContact O-CB 3.32Å; Q154-S167 WeakPolarHBondContact O-CB 3.45Å; Q154-S167 PolarHBondContact O-OG 3.42Å; S167-A169 VanDerWaalsContact C-N 3.26Å; S167-A169 PolarHBondContact O-N 2.96Å; S167-A169 PolarHBondContact OG-N 3.35Å; S167-S170 PolarHBondContact O-N 3.28Å; S167-S170 PolarHBondContact OG-N 2.89Å; S167-S170 PolarHBondContact OG-OG 3.34Å; S167-W171 WeakPolarHBondContact O-CB 3.5Å; S167-W171 PolarHBondContact O-N 2.77Å
168S89.8Confident84.7Confident1 Ų143.7 Ų43.71%0.00724%0.237CC..Hα-helixtrans-57.5-38.3173.4-53.80000113.3F132 F135 W171 Y172F132-S168 WeakPolarHBondContact O-CB 3.34Å; F132-S168 PolarHBondContact O-OG 3.47Å; F135-S168 WeakPolarHBondContact CB-OG 3.48Å; F135-S168 PolarHBondContact O-N 2.84Å; F135-S168 VanDerWaalsContact O-N 3.16Å; F135-S168 PolarHBondContact O-OG 3.33Å; S168-W171 PolarHBondContact O-N 3Å; S168-Y172 PolarHBondContact O-N 3.24Å
169A88.5Confident85.3Confident8 Ų840 Ų407%0.06622%0.218CC..Hα-helixtrans-65.3-45.3177.900000111.3I128 S167 W171 Y172 F173I128-A169 HydrophobicContact CG2-CB 4.47Å; S167-A169 VanDerWaalsContact C-N 3.26Å; S167-A169 PolarHBondContact O-N 2.96Å; S167-A169 PolarHBondContact OG-N 3.35Å; A169-W171 VanDerWaalsContact C-N 3.34Å; A169-Y172 WeakPolarHBondContact O-CB 3.19Å; A169-Y172 PolarHBondContact O-N 3.36Å; A169-F173 WeakPolarHBondContact O-CD2 3.22Å; A169-F173 PolarHBondContact O-N 3.06Å
170S88.5Confident85.7Confident2 Ų235 Ų351%0.01419%0.188CC..Hα-helixtrans-71.1-31.3178.8-56.10000112.4M151 L152 S167 Y172 F173 L174M151-S170 WeakPolarHBondContact O-CB 3.22Å; M151-S170 PolarHBondContact O-OG 2.84Å; L152-S170 VanDerWaalsContact CA-OG 3.24Å; L152-S170 WeakPolarHBondContact CA-OG 3.19Å; L152-S170 VanDerWaalsContact O-CB 3.25Å; L152-S170 WeakPolarHBondContact O-CB 3.47Å; L152-S170 PolarHBondContact O-OG 3.42Å; S167-S170 PolarHBondContact O-N 3.28Å; S167-S170 PolarHBondContact OG-N 2.89Å; S167-S170 PolarHBondContact OG-OG 3.34Å; S170-Y172 VanDerWaalsContact C-N 3.31Å; S170-Y172 PolarHBondContact O-N 2.8Å; S170-F173 WeakPolarHBondContact O-CB 3.27Å; S170-F173 PolarHBondContact O-N 3.24Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 2.88Å
171W90.6Very high85.9Confident51 Ų5132.5 Ų32.519%0.19318%0.176CC..Hα-helixtrans-60.4-40.7171.4178.4-115.1000112.1V17 V21 T137 T138 V166 S167 S168 A169 L174 N175V17-W171 HydrophobicContact CG1-CZ2 3.59Å; V21-W171 HydrophobicContact CG2-CZ2 3.87Å; T137-W171 HydrophobicContact CG2-CB 4.23Å; T137-W171 HydrophobicContact CG2-CG 4.46Å; T138-W171 HydrophobicContact CG2-CE3 3.79Å; T138-W171 HydrophobicContact CG2-CZ3 3.9Å; V166-W171 HydrophobicContact CG1-CB 4.21Å; S167-W171 WeakPolarHBondContact O-CB 3.5Å; S167-W171 PolarHBondContact O-N 2.77Å; S168-W171 PolarHBondContact O-N 3Å; A169-W171 VanDerWaalsContact C-N 3.34Å; W171-L174 HydrophobicContact CE3-CB 4.48Å; W171-L174 HydrophobicContact CE3-CD1 4.22Å; W171-L174 PolarHBondContact O-N 3.37Å; W171-N175 VanDerWaalsContact CD1-ND2 3.31Å; W171-N175 VanDerWaalsContact CE2-ND2 3.32Å; W171-N175 WeakPolarHBondContact CZ2-OD1 3.08Å; W171-N175 PolarHBondContact NE1-ND2 2.85Å; W171-N175 PolarHBondContact O-N 3.11Å; W171-N175 PolarHBondContact O-ND2 2.95Å; W171-N175 VanDerWaalsContact O-ND2 3.13Å
172Y89.7Confident86.3Confident8 Ų835.4 Ų35.43%0.03119%0.191CC..Hα-helixtrans-60.1-47.4171.8162.7-105.6000112.4T24 I124 I128 S168 A169 S170 L174 N175 V176T24-Y172 HydrophobicContact CG2-CD2 3.94Å; T24-Y172 HydrophobicContact CG2-CE2 3.79Å; T24-Y172 WeakPolarHBondContact OG1-CD2 3.4Å; I124-Y172 HydrophobicContact CB-CD2 4.5Å; I124-Y172 HydrophobicContact CB-CE1 4.48Å; I124-Y172 HydrophobicContact CB-CE2 3.82Å; I124-Y172 HydrophobicContact CD1-CE2 3.87Å; I124-Y172 HydrophobicContact CG1-CE2 4.47Å; I124-Y172 HydrophobicContact CG2-CD2 3.53Å; I124-Y172 HydrophobicContact CG2-CE1 4.34Å; I124-Y172 HydrophobicContact CG2-CE2 3.29Å; I124-Y172 HydrophobicContact CG2-CG 4.15Å; I128-Y172 HydrophobicContact CD1-CD1 4.37Å; I128-Y172 HydrophobicContact CD1-CD2 3.91Å; I128-Y172 HydrophobicContact CD1-CG 3.61Å; S168-Y172 PolarHBondContact O-N 3.24Å; A169-Y172 WeakPolarHBondContact O-CB 3.19Å; A169-Y172 PolarHBondContact O-N 3.36Å; S170-Y172 VanDerWaalsContact C-N 3.31Å; S170-Y172 PolarHBondContact O-N 2.8Å; Y172-L174 VanDerWaalsContact C-N 3.28Å; Y172-L174 PolarHBondContact O-N 3.03Å; Y172-N175 WeakPolarHBondContact O-CB 3.19Å; Y172-N175 PolarHBondContact O-N 3.49Å; Y172-N175 VanDerWaalsContact O-N 3.08Å; Y172-V176 HydrophobicContact CD1-CG2 4.47Å; Y172-V176 HydrophobicContact CD2-CG2 3.95Å; Y172-V176 HydrophobicContact CE1-CG2 4Å; Y172-V176 HydrophobicContact CE2-CG2 3.41Å; Y172-V176 VanDerWaalsContact CE2-CG2 3.41Å; Y172-V176 HydrophobicContact CG-CG2 4.45Å; Y172-V176 VanDerWaalsContact CZ-CG2 3.44Å; Y172-V176 WeakPolarHBondContact O-CG2 3.5Å; Y172-V176 PolarHBondContact O-N 3.41Å
173F87Confident86.4Confident78 Ų7831.5 Ų31.534%0.34217%0.17SC..Hα-helixtrans-56.2-46175-76.3-64.7000111.1A169 S170 N175 V176 F177A169-F173 WeakPolarHBondContact O-CD2 3.22Å; A169-F173 PolarHBondContact O-N 3.06Å; S170-F173 WeakPolarHBondContact O-CB 3.27Å; S170-F173 PolarHBondContact O-N 3.24Å; F173-N175 VanDerWaalsContact C-N 3.32Å; F173-N175 PolarHBondContact O-N 3.06Å; F173-V176 WeakPolarHBondContact O-CB 2.95Å; F173-V176 PolarHBondContact O-N 3.41Å; F173-V176 VanDerWaalsContact O-N 3.15Å; F173-F177 HydrophobicContact CB-CE2 4.48Å; F173-F177 WeakPolarHBondContact O-CD2 3.25Å; F173-F177 PolarHBondContact O-N 2.92Å; F173-F177 VanDerWaalsContact O-N 3.15Å
174L88.7Confident86.5Confident66 Ų6633.7 Ų33.735%0.34618%0.184SC..Hα-helixtrans-58.8-41175.5-68.7178.3000112.6V166 S170 W171 Y172 F177 G178V166-L174 HydrophobicContact CG1-CD1 3.95Å; V166-L174 HydrophobicContact CG2-CD1 4.4Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 2.88Å; W171-L174 HydrophobicContact CE3-CB 4.48Å; W171-L174 HydrophobicContact CE3-CD1 4.22Å; W171-L174 PolarHBondContact O-N 3.37Å; Y172-L174 VanDerWaalsContact C-N 3.28Å; Y172-L174 PolarHBondContact O-N 3.03Å; L174-F177 PolarHBondContact O-N 2.86Å; L174-G178 PolarHBondContact O-N 3.13Å
175N89.5Confident86.5Confident15 Ų1540.6 Ų40.68%0.0822%0.22CC..Hα-helixtrans-65.2-39.8175.4-70.4-39.3000112.2T24 W171 Y172 F173 F177 G178 L179T24-N175 HydrophobicContact CG2-CB 4Å; W171-N175 VanDerWaalsContact CD1-ND2 3.31Å; W171-N175 VanDerWaalsContact CE2-ND2 3.32Å; W171-N175 WeakPolarHBondContact CZ2-OD1 3.08Å; W171-N175 PolarHBondContact NE1-ND2 2.85Å; W171-N175 PolarHBondContact O-N 3.11Å; W171-N175 PolarHBondContact O-ND2 2.95Å; W171-N175 VanDerWaalsContact O-ND2 3.13Å; Y172-N175 WeakPolarHBondContact O-CB 3.19Å; Y172-N175 PolarHBondContact O-N 3.49Å; Y172-N175 VanDerWaalsContact O-N 3.08Å; F173-N175 VanDerWaalsContact C-N 3.32Å; F173-N175 PolarHBondContact O-N 3.06Å; N175-F177 PolarHBondContact O-N 2.9Å; N175-G178 PolarHBondContact O-N 2.97Å; N175-L179 HydrophobicContact CB-CD1 4.28Å; N175-L179 WeakPolarHBondContact O-CB 3.03Å; N175-L179 WeakPolarHBondContact O-CG 3.42Å; N175-L179 PolarHBondContact O-N 3.44Å
176V84.8Confident86.5Confident17 Ų1743.9 Ų43.910%0.10324%0.239CC..Hα-helixtrans-60.2-35176.4171.40000111.5T24 Y172 F173 R180 Q195T24-V176 HydrophobicContact CG2-CG2 3.87Å; Y172-V176 HydrophobicContact CD1-CG2 4.47Å; Y172-V176 HydrophobicContact CD2-CG2 3.95Å; Y172-V176 HydrophobicContact CE1-CG2 4Å; Y172-V176 HydrophobicContact CE2-CG2 3.41Å; Y172-V176 VanDerWaalsContact CE2-CG2 3.41Å; Y172-V176 HydrophobicContact CG-CG2 4.45Å; Y172-V176 VanDerWaalsContact CZ-CG2 3.44Å; Y172-V176 WeakPolarHBondContact O-CG2 3.5Å; Y172-V176 PolarHBondContact O-N 3.41Å; F173-V176 WeakPolarHBondContact O-CB 2.95Å; F173-V176 PolarHBondContact O-N 3.41Å; F173-V176 VanDerWaalsContact O-N 3.15Å; V176-R180 WeakPolarHBondContact O-CG 3.45Å; V176-Q195 VanDerWaalsContact CG1-NE2 3.3Å
177F83.1Confident86Confident96 Ų9645.3 Ų45.342%0.42125%0.246SC..Hα-helixtrans-82.1-40.8174.5-64.5-75000113.1F173 L174 N175 R180F173-F177 HydrophobicContact CB-CE2 4.48Å; F173-F177 WeakPolarHBondContact O-CD2 3.25Å; F173-F177 PolarHBondContact O-N 2.92Å; F173-F177 VanDerWaalsContact O-N 3.15Å; L174-F177 PolarHBondContact O-N 2.86Å; N175-F177 PolarHBondContact O-N 2.9Å; F177-R180 VanDerWaalsContact O-CB 3.31Å; F177-R180 WeakPolarHBondContact O-CB 3.27Å; F177-R180 WeakPolarHBondContact O-CD 3.12Å; F177-R180 WeakPolarHBondContact O-CG 3.11Å; F177-R180 PolarHBondContact O-N 3.05Å
178G85.7Confident85.4Confident48 Ų4846.7 Ų46.750%0.49526%0.261SS..Hα-helixtrans-73.3-35.6-175.800000113.9L174 N175 R180L174-G178 PolarHBondContact O-N 3.13Å; N175-G178 PolarHBondContact O-N 2.97Å; G178-R180 PolarHBondContact O-N 3.06Å
179L86.3Confident84.4Confident13 Ų1354.8 Ų54.87%0.06830%0.299CS..Hα-helixtrans-72-8.8178-65.6175.5000112.8T24 F25 N175 S181 I182 Y183T24-L179 HydrophobicContact CG2-CD1 3.91Å; F25-L179 HydrophobicContact CB-CD1 4.18Å; N175-L179 HydrophobicContact CB-CD1 4.28Å; N175-L179 WeakPolarHBondContact O-CB 3.03Å; N175-L179 WeakPolarHBondContact O-CG 3.42Å; N175-L179 PolarHBondContact O-N 3.44Å; L179-S181 VanDerWaalsContact C-N 3.35Å; L179-S181 PolarHBondContact O-N 3.23Å; L179-I182 HydrophobicContact CD2-CD1 3.62Å; L179-I182 WeakPolarHBondContact O-CB 3.39Å; L179-I182 PolarHBondContact O-N 2.99Å; L179-I182 VanDerWaalsContact O-N 3.09Å; L179-Y183 HydrophobicContact CB-CD2 4.25Å; L179-Y183 HydrophobicContact CB-CE2 3.72Å; L179-Y183 WeakPolarHBondContact O-CD2 3.44Å; L179-Y183 PolarHBondContact O-N 3.43Å
180R79.5Confident83.3Confident50 Ų5060.1 Ų60.119%0.18933%0.326CS..Hα-helixtrans-56.6-46.3177.9-67.7179.8-176.5-156.62.1112.7V176 F177 G178 I182 Y183 S184 D194 S196V176-R180 WeakPolarHBondContact O-CG 3.45Å; F177-R180 VanDerWaalsContact O-CB 3.31Å; F177-R180 WeakPolarHBondContact O-CB 3.27Å; F177-R180 WeakPolarHBondContact O-CD 3.12Å; F177-R180 WeakPolarHBondContact O-CG 3.11Å; F177-R180 PolarHBondContact O-N 3.05Å; G178-R180 PolarHBondContact O-N 3.06Å; R180-I182 PolarHBondContact O-N 3.49Å; R180-Y183 PolarHBondContact O-N 3.32Å; R180-S184 PolarHBondContact O-N 3.46Å; R180-D194 IonicContact CZ-OD1 3.74Å; R180-D194 IonicContact NE-OD1 2.79Å; R180-D194 IonicContact NH1-OD1 3.35Å; R180-D194 PolarHBondContact NH1-OD1 2.99Å; R180-S196 PolarHBondContact NH1-OG 3.35Å
181S83.1Confident82.2Confident84 Ų8460.4 Ų60.459%0.58733%0.327SS*.Hα-helixtrans-62.2-37.1178.8-53.20000111L179 S184 L185L179-S181 VanDerWaalsContact C-N 3.35Å; L179-S181 PolarHBondContact O-N 3.23Å; S181-S184 PolarHBondContact O-N 3.26Å; S181-L185 VanDerWaalsContact O-CG 3.3Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.39Å; S181-L185 VanDerWaalsContact O-N 3.11Å
182I85.9Confident81Confident74 Ų7458.9 Ų58.938%0.37933%0.325SS..Hα-helixtrans-68.6-43.9177.1-57.7176.2000110.4F25 L179 R180 S184 L185 I186F25-I182 HydrophobicContact CE2-CG2 4.08Å; L179-I182 HydrophobicContact CD2-CD1 3.62Å; L179-I182 WeakPolarHBondContact O-CB 3.39Å; L179-I182 PolarHBondContact O-N 2.99Å; L179-I182 VanDerWaalsContact O-N 3.09Å; R180-I182 PolarHBondContact O-N 3.49Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.83Å; I182-L185 PolarHBondContact O-N 3.24Å; I182-I186 HydrophobicContact CG2-CD1 3.61Å; I182-I186 HydrophobicContact CG2-CG1 4.35Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.95Å
183Y84.6Confident79.5Confident12 Ų1259 Ų595%0.04733%0.328CS..Hα-helixtrans-62.5-38.6174.2-64.7-44.2000112.4T24 F25 G28 M29 L179 R180 L185 I186 L187 N191 A193T24-Y183 PolarHBondContact O-OH 2.98Å; F25-Y183 WeakPolarHBondContact CA-OH 3.21Å; F25-Y183 AromaticContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CE2-CD1 4.48Å; F25-Y183 HydrophobicContact CE2-CE1 4.03Å; F25-Y183 PolarHBondContact O-OH 2.9Å; G28-Y183 WeakPolarHBondContact CA-OH 3.43Å; M29-Y183 HydrophobicContact CG-CE1 4.34Å; L179-Y183 HydrophobicContact CB-CD2 4.25Å; L179-Y183 HydrophobicContact CB-CE2 3.72Å; L179-Y183 WeakPolarHBondContact O-CD2 3.44Å; L179-Y183 PolarHBondContact O-N 3.43Å; R180-Y183 PolarHBondContact O-N 3.32Å; Y183-L185 VanDerWaalsContact C-N 3.27Å; Y183-L185 PolarHBondContact O-N 3.33Å; Y183-I186 PolarHBondContact O-N 3.03Å; Y183-L187 HydrophobicContact CD1-CD1 3.98Å; Y183-L187 HydrophobicContact CG-CD1 4.38Å; Y183-L187 WeakPolarHBondContact O-CA 3.3Å; Y183-L187 VanDerWaalsContact O-CB 3.27Å; Y183-L187 WeakPolarHBondContact O-CB 3.35Å; Y183-L187 PolarHBondContact O-N 2.73Å; Y183-N191 PolarHBondContact O-ND2 3.09Å; Y183-A193 HydrophobicContact CD2-CB 4.06Å; Y183-A193 HydrophobicContact CG-CB 4.34Å
184S81.5Confident78.4Confident49 Ų4957 Ų5734%0.34332%0.321SS..Hα-helixtrans-62.7-36.6176.1-174.20000111.9R180 S181 I182 G188 N191R180-S184 PolarHBondContact O-N 3.46Å; S181-S184 PolarHBondContact O-N 3.26Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.83Å; S184-G188 CarbonylContact O-C 3.39Å; S184-G188 VanDerWaalsContact O-C 3.27Å; S184-G188 VanDerWaalsContact O-CA 3.23Å; S184-G188 WeakPolarHBondContact O-CA 3.13Å; S184-G188 PolarHBondContact O-N 3.27Å; S184-N191 WeakPolarHBondContact CA-ND2 3.29Å; S184-N191 PolarHBondContact N-ND2 2.98Å
185L84.6Confident77.2Confident152 Ų15255.5 Ų55.580%0.79631%0.312SS*.Hα-helixtrans-71.8-40.7175.6-69170.1000113S181 I182 Y183S181-L185 VanDerWaalsContact O-CG 3.3Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.39Å; S181-L185 VanDerWaalsContact O-N 3.11Å; I182-L185 PolarHBondContact O-N 3.24Å; Y183-L185 VanDerWaalsContact C-N 3.27Å; Y183-L185 PolarHBondContact O-N 3.33Å
186I84.8Confident75.8Confident96 Ų9657.4 Ų57.449%0.49233%0.327SS..Hα-helixtrans-85-42.5-174.1-63.4173.2000112.3F25 I182 Y183F25-I186 HydrophobicContact CE2-CD1 3.95Å; F25-I186 HydrophobicContact CZ-CD1 3.89Å; I182-I186 HydrophobicContact CG2-CD1 3.61Å; I182-I186 HydrophobicContact CG2-CG1 4.35Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.95Å; Y183-I186 PolarHBondContact O-N 3.03Å
187L80.2Confident74.5Confident30 Ų3061.7 Ų61.716%0.15734%0.341CS..Hα-helixtrans-104.2-5.4-170.8-54.8172.2000112.6H32 Y183 N191H32-L187 HydrophobicContact CB-CD1 3.8Å; Y183-L187 HydrophobicContact CD1-CD1 3.98Å; Y183-L187 HydrophobicContact CG-CD1 4.38Å; Y183-L187 WeakPolarHBondContact O-CA 3.3Å; Y183-L187 VanDerWaalsContact O-CB 3.27Å; Y183-L187 WeakPolarHBondContact O-CB 3.35Å; Y183-L187 PolarHBondContact O-N 2.73Å; L187-N191 HydrophobicContact CB-CB 3.88Å
188G77.4Confident73.3Confident31 Ų3159.2 Ų59.232%0.3233%0.331SS..  trans89172.7-176.900000114.1S184 D190 N191S184-G188 CarbonylContact O-C 3.39Å; S184-G188 VanDerWaalsContact O-C 3.27Å; S184-G188 VanDerWaalsContact O-CA 3.23Å; S184-G188 WeakPolarHBondContact O-CA 3.13Å; S184-G188 PolarHBondContact O-N 3.27Å; G188-D190 VanDerWaalsContact C-N 3.31Å; G188-D190 PolarHBondContact O-N 2.94Å; G188-N191 PolarHBondContact O-ND2 3.02Å; G188-N191 VanDerWaalsContact O-ND2 3.1Å
189Q69Low72Confident171 Ų17163.2 Ų63.280%0.79934%0.339SS*.THydrogen-bonded Turntrans-67.2-29.2-177.8-69.1-175.9-13.300113N191Q189-N191 VanDerWaalsContact C-N 3.27Å; Q189-N191 PolarHBondContact O-N 3.33Å
190D64.6Low70.6Confident119 Ų11968.8 Ų68.864%0.63637%0.365SS*.THydrogen-bonded Turntrans-89.933.9179.7-69.7-48000113.5G188 R197G188-D190 VanDerWaalsContact C-N 3.31Å; G188-D190 PolarHBondContact O-N 2.94Å; D190-R197 IonicContact OD1-CZ 2.7Å; D190-R197 IonicContact OD1-NH1 2.81Å; D190-R197 PolarHBondContact OD1-NH1 3.41Å; D190-R197 IonicContact OD1-NH2 3.67Å; D190-R197 PolarHBondContact OD1-NH2 3.18Å
191N66.3Low69.6Low8 Ų872.1 Ų72.14%0.04338%0.382CS..  trans-75.5132.7179.872.252.1000112.3Y183 S184 L187 G188 Q189 A193 D194Y183-N191 PolarHBondContact O-ND2 3.09Å; S184-N191 WeakPolarHBondContact CA-ND2 3.29Å; S184-N191 PolarHBondContact N-ND2 2.98Å; L187-N191 HydrophobicContact CB-CB 3.88Å; G188-N191 PolarHBondContact O-ND2 3.02Å; G188-N191 VanDerWaalsContact O-ND2 3.1Å; Q189-N191 VanDerWaalsContact C-N 3.27Å; Q189-N191 PolarHBondContact O-N 3.33Å; N191-A193 PolarHBondContact O-N 3.47Å; N191-A193 VanDerWaalsContact O-N 3.11Å; N191-A193 PolarHBondContact OD1-N 2.95Å; N191-D194 PolarHBondContact O-N 3.05Å; N191-D194 PolarHBondContact OD1-N 3.14Å; N191-D194 VanDerWaalsContact OD1-N 3.12Å
192A64.7Low68.1Low19 Ų1974.9 Ų74.916%0.15739%0.386CS..THydrogen-bonded Turntrans-69.30.1172.100000114.5R31 S35 D194R31-A192 PolarHBondContact NE-O 3.38Å; R31-A192 PolarHBondContact NH2-O 3.03Å; S35-A192 VanDerWaalsContact CB-CB 3.48Å; S35-A192 WeakPolarHBondContact OG-CB 3.46Å; A192-D194 VanDerWaalsContact C-N 3.3Å
193A57.8Low66.3Low11 Ų1178.2 Ų78.29%0.09140%0.401CS..THydrogen-bonded Turntrans-76.6-22175.600000111.5Y183 N191 Q195Y183-A193 HydrophobicContact CD2-CB 4.06Å; Y183-A193 HydrophobicContact CG-CB 4.34Å; N191-A193 PolarHBondContact O-N 3.47Å; N191-A193 VanDerWaalsContact O-N 3.11Å; N191-A193 PolarHBondContact OD1-N 2.95Å; A193-Q195 PolarHBondContact O-N 3.45Å
194D65.4Low64.6Low37 Ų3781.4 Ų81.420%0.19842%0.422CS..  trans-77.6114.8-177.9-170.133.9000113.3R180 N191 A192 S196 R197R180-D194 IonicContact CZ-OD1 3.74Å; R180-D194 IonicContact NE-OD1 2.79Å; R180-D194 IonicContact NH1-OD1 3.35Å; R180-D194 PolarHBondContact NH1-OD1 2.99Å; N191-D194 PolarHBondContact O-N 3.05Å; N191-D194 PolarHBondContact OD1-N 3.14Å; N191-D194 VanDerWaalsContact OD1-N 3.12Å; A192-D194 VanDerWaalsContact C-N 3.3Å; D194-S196 PolarHBondContact OD1-N 3.23Å; D194-S196 PolarHBondContact OD1-OG 3.32Å; D194-S196 WeakPolarHBondContact OD2-CB 3.48Å; D194-S196 PolarHBondContact OD2-OG 3.47Å; D194-R197 PolarHBondContact OD2-N 2.94Å
195Q62.1Low63Low34 Ų3480.5 Ų80.516%0.15942%0.421CS..Hα-helixtrans-78.1-21.1177.9-64.7165.518.900112.9M121 V176 A193 R197 M198 M199M121-Q195 HydrophobicContact CE-CG 4.1Å; V176-Q195 VanDerWaalsContact CG1-NE2 3.3Å; A193-Q195 PolarHBondContact O-N 3.45Å; Q195-R197 VanDerWaalsContact C-N 3.29Å; Q195-R197 PolarHBondContact O-N 3.27Å; Q195-M198 WeakPolarHBondContact O-CB 3.43Å; Q195-M198 PolarHBondContact O-N 2.85Å; Q195-M198 VanDerWaalsContact O-N 3.16Å; Q195-M199 PolarHBondContact O-N 2.94Å; Q195-M199 VanDerWaalsContact O-N 3.13Å
196S59.7Low61.1Low55 Ų5576.5 Ų76.539%0.38541%0.41SS..Hα-helixtrans-62.7-41.8176.15.50000110.8R180 D194 M198 M199 Q200R180-S196 PolarHBondContact NH1-OG 3.35Å; D194-S196 PolarHBondContact OD1-N 3.23Å; D194-S196 PolarHBondContact OD1-OG 3.32Å; D194-S196 WeakPolarHBondContact OD2-CB 3.48Å; D194-S196 PolarHBondContact OD2-OG 3.47Å; S196-M198 VanDerWaalsContact C-N 3.29Å; S196-M198 PolarHBondContact O-N 3.31Å; S196-M199 PolarHBondContact O-N 2.71Å; S196-M199 VanDerWaalsContact O-N 3.1Å; S196-Q200 PolarHBondContact O-N 3.35Å
197R58.8Low59.1Low107 Ų10775 Ų7540%0.40441%0.411SS..Hα-helixtrans-58.2-40.9172.8-102.1-171.3165.3-177.12.9112.3D190 D194 Q195 M199 Q200 E201D190-R197 IonicContact OD1-CZ 2.7Å; D190-R197 IonicContact OD1-NH1 2.81Å; D190-R197 PolarHBondContact OD1-NH1 3.41Å; D190-R197 IonicContact OD1-NH2 3.67Å; D190-R197 PolarHBondContact OD1-NH2 3.18Å; D194-R197 PolarHBondContact OD2-N 2.94Å; Q195-R197 VanDerWaalsContact C-N 3.29Å; Q195-R197 PolarHBondContact O-N 3.27Å; R197-M199 VanDerWaalsContact C-N 3.32Å; R197-M199 PolarHBondContact O-N 3.29Å; R197-Q200 CarbonylContact O-C 3.19Å; R197-Q200 PolarHBondContact O-N 2.87Å; R197-E201 VanDerWaalsContact O-CB 3.27Å; R197-E201 WeakPolarHBondContact O-CB 3.46Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 2.7Å
198M58.4Low57.4Low44 Ų4478.5 Ų78.522%0.21743%0.428CS..Hα-helixtrans-60.6-40.2174.3-65178.361.600112.8N117 Q195 S196 Q200 E201 Q202N117-M198 HydrophobicContact CB-CE 3.41Å; N117-M198 VanDerWaalsContact CB-CE 3.41Å; N117-M198 HydrophobicContact CB-SD 3.48Å; N117-M198 WeakPolarHBondContact CB-SD 3.46Å; N117-M198 WeakPolarHBondContact ND2-CE 3.42Å; N117-M198 PolarHBondContact ND2-SD 2.8Å; Q195-M198 WeakPolarHBondContact O-CB 3.43Å; Q195-M198 PolarHBondContact O-N 2.85Å; Q195-M198 VanDerWaalsContact O-N 3.16Å; S196-M198 VanDerWaalsContact C-N 3.29Å; S196-M198 PolarHBondContact O-N 3.31Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; M198-E201 CarbonylContact O-C 3.56Å; M198-E201 PolarHBondContact O-N 2.99Å; M198-Q202 WeakPolarHBondContact O-CB 2.98Å; M198-Q202 PolarHBondContact O-N 3.44Å
199M58Low56Low132 Ų13280.2 Ų80.265%0.6544%0.44SS*.Hα-helixtrans-67.7-38.6177.6-171.1171.9-176.300111Q195 S196 R197 Q202 M203Q195-M199 PolarHBondContact O-N 2.94Å; Q195-M199 VanDerWaalsContact O-N 3.13Å; S196-M199 PolarHBondContact O-N 2.71Å; S196-M199 VanDerWaalsContact O-N 3.1Å; R197-M199 VanDerWaalsContact C-N 3.32Å; R197-M199 PolarHBondContact O-N 3.29Å; M199-Q202 PolarHBondContact O-N 3.44Å; M199-M203 WeakPolarHBondContact O-CG 3.31Å; M199-M203 PolarHBondContact O-N 3.18Å
200Q57Low55.1Low130 Ų13074.1 Ų74.161%0.60741%0.412SS*.Hα-helixtrans-68.3-38.9174.5-169.3159.7-7.900111.8S196 R197 M198 Q202 M203 T204S196-Q200 PolarHBondContact O-N 3.35Å; R197-Q200 CarbonylContact O-C 3.19Å; R197-Q200 PolarHBondContact O-N 2.87Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q200-M203 PolarHBondContact O-N 3.43Å; Q200-T204 HydrophobicContact CG-CG2 4.36Å; Q200-T204 VanDerWaalsContact O-CB 3.25Å; Q200-T204 WeakPolarHBondContact O-CB 3.47Å; Q200-T204 VanDerWaalsContact O-CG2 3.23Å; Q200-T204 WeakPolarHBondContact O-CG2 3.42Å; Q200-T204 PolarHBondContact O-N 3.14Å; Q200-T204 PolarHBondContact O-OG1 2.79Å
201E57.8Low54.4Low119 Ų11971.5 Ų71.556%0.55640%0.401SS*.Hα-helixtrans-70.5-27.6171.9-77.5178.4-175.300111.9R197 M198 T204 G205R197-E201 VanDerWaalsContact O-CB 3.27Å; R197-E201 WeakPolarHBondContact O-CB 3.46Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 2.7Å; M198-E201 CarbonylContact O-C 3.56Å; M198-E201 PolarHBondContact O-N 2.99Å; E201-T204 WeakPolarHBondContact CA-OG1 3.45Å; E201-G205 WeakPolarHBondContact O-CA 3.47Å; E201-G205 PolarHBondContact O-N 3.48Å
202Q51.4Low54Low143 Ų14374 Ų7467%0.66842%0.423SS*.Hα-helixtrans-77.1-38.1174.1-170.2175.1-35.900110.1M198 M199 Q200 A206M198-Q202 WeakPolarHBondContact O-CB 2.98Å; M198-Q202 PolarHBondContact O-N 3.44Å; M199-Q202 PolarHBondContact O-N 3.44Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-A206 WeakPolarHBondContact O-CB 3.44Å; Q202-A206 PolarHBondContact O-N 2.95Å
203M48.1Very low54.3Low143 Ų14375.5 Ų75.570%0.70443%0.429SS*.Hα-helixtrans-71.4-43.6173.9-74.5-173.678.400112.4M199 Q200M199-M203 WeakPolarHBondContact O-CG 3.31Å; M199-M203 PolarHBondContact O-N 3.18Å; Q200-M203 PolarHBondContact O-N 3.43Å
204T49.7Very low55.4Low79 Ų7976.1 Ų76.149%0.48543%0.431SS..Hα-helixtrans-80-35.3178.558.60000112Q200 E201 A207 M208Q200-T204 HydrophobicContact CG-CG2 4.36Å; Q200-T204 VanDerWaalsContact O-CB 3.25Å; Q200-T204 WeakPolarHBondContact O-CB 3.47Å; Q200-T204 VanDerWaalsContact O-CG2 3.23Å; Q200-T204 WeakPolarHBondContact O-CG2 3.42Å; Q200-T204 PolarHBondContact O-N 3.14Å; Q200-T204 PolarHBondContact O-OG1 2.79Å; E201-T204 WeakPolarHBondContact CA-OG1 3.45Å; T204-A207 CarbonylContact O-C 3.43Å; T204-A207 WeakPolarHBondContact O-CA 3.28Å; T204-A207 WeakPolarHBondContact O-CB 3.48Å; T204-A207 PolarHBondContact O-N 3.42Å; T204-A207 VanDerWaalsContact O-N 3.16Å; T204-M208 PolarHBondContact O-N 3.49Å
205G47Very low56.5Low31 Ų3175.4 Ų75.432%0.3243%0.427SS..Hα-helixtrans-75.6-28.5176.500000113.5E201 A207 M208 A209E201-G205 WeakPolarHBondContact O-CA 3.47Å; E201-G205 PolarHBondContact O-N 3.48Å; G205-A207 PolarHBondContact O-N 3.31Å; G205-M208 CarbonylContact O-C 3.52Å; G205-M208 WeakPolarHBondContact O-CA 3.11Å; G205-M208 PolarHBondContact O-N 3.36Å; G205-M208 VanDerWaalsContact O-N 3.09Å; G205-A209 PolarHBondContact O-N 3.35Å
206A44.7Very low57.6Low67 Ų6780.6 Ų80.655%0.55445%0.449SS*.Hα-helixtrans-66.7-25.1165.600000112.1Q202Q202-A206 WeakPolarHBondContact O-CB 3.44Å; Q202-A206 PolarHBondContact O-N 2.95Å
207A42.2Very low58.9Low64 Ų6478.5 Ų78.553%0.52944%0.435SS..Hα-helixtrans-79.2-23.5169.400000112.8T204 G205T204-A207 CarbonylContact O-C 3.43Å; T204-A207 WeakPolarHBondContact O-CA 3.28Å; T204-A207 WeakPolarHBondContact O-CB 3.48Å; T204-A207 PolarHBondContact O-N 3.42Å; T204-A207 VanDerWaalsContact O-N 3.16Å; G205-A207 PolarHBondContact O-N 3.31Å
208M45.9Very low60.4Low104 Ų10473.4 Ų73.451%0.51242%0.416SS..Hα-helixtrans-88.6-15.3171.1-74.6-107.4-86.100113.9T204 G205 M210T204-M208 PolarHBondContact O-N 3.49Å; G205-M208 CarbonylContact O-C 3.52Å; G205-M208 WeakPolarHBondContact O-CA 3.11Å; G205-M208 PolarHBondContact O-N 3.36Å; G205-M208 VanDerWaalsContact O-N 3.09Å; M208-M210 PolarHBondContact O-N 2.78Å
209A48.2Very low61.9Low68 Ų6877.4 Ų77.456%0.56243%0.432SS*.SBendtrans-65.885.3164.700000105.6G205G205-A209 PolarHBondContact O-N 3.35Å
210M48.9Very low63.4Low43 Ų4374.7 Ų74.721%0.21242%0.423CS..  trans-41.8134177.4-69.4-66.4-70.800107.6D51 L55 M208 A212 T214D51-M210 HydrophobicContact CB-CE 3.53Å; L55-M210 HydrophobicContact CD1-CE 4.09Å; L55-M210 HydrophobicContact CD1-SD 4.43Å; M208-M210 PolarHBondContact O-N 2.78Å; M210-A212 PolarHBondContact O-N 3.13Å; M210-A212 VanDerWaalsContact O-N 3.13Å; M210-T214 HydrophobicContact CB-CG2 4.43Å; M210-T214 HydrophobicContact CE-CG2 3.49Å; M210-T214 VanDerWaalsContact CE-CG2 3.49Å
211P49.7Very low65Low64 Ų6469.4 Ų69.442%0.41640%0.398SS..  trans-49131.2169.3-2636.1000107.1D213 T214 A217P211-D213 CarbonylContact O-C 3.52Å; P211-D213 WeakPolarHBondContact O-CA 3.38Å; P211-D213 PolarHBondContact O-N 2.81Å; P211-T214 PolarHBondContact O-N 2.87Å; P211-A217 HydrophobicContact CB-CB 3.97Å; P211-A217 HydrophobicContact CG-CB 3.63Å
212A58.7Low66.6Low61 Ų6167.8 Ų67.850%0.50439%0.387SS..SBendtrans-55.4-14.4-171.400000113.3P98 M210P98-A212 HydrophobicContact CB-CB 3.58Å; M210-A212 PolarHBondContact O-N 3.13Å; M210-A212 VanDerWaalsContact O-N 3.13Å
213D71.4Confident68.5Low50 Ų5064.9 Ų64.927%0.26737%0.374SS..  trans-119105.5160.9-174.7-5.9000110.7P211 N215 K216 A217P211-D213 CarbonylContact O-C 3.52Å; P211-D213 WeakPolarHBondContact O-CA 3.38Å; P211-D213 PolarHBondContact O-N 2.81Å; D213-N215 PolarHBondContact O-N 3.2Å; D213-N215 WeakPolarHBondContact OD1-CA 3.5Å; D213-N215 VanDerWaalsContact OD1-CB 3.29Å; D213-N215 WeakPolarHBondContact OD1-CB 3.36Å; D213-N215 PolarHBondContact OD1-N 3.2Å; D213-N215 PolarHBondContact OD1-ND2 2.65Å; D213-K216 HydrophobicContact CB-CB 3.81Å; D213-K216 WeakPolarHBondContact O-CB 3.36Å; D213-K216 PolarHBondContact O-N 2.91Å; D213-K216 PolarHBondContact OD1-N 2.83Å; D213-A217 PolarHBondContact O-N 3.23Å; D213-A217 VanDerWaalsContact O-N 3.08Å
214T81.3Confident70.6Confident24 Ų2459.2 Ų59.215%0.14735%0.35CS..Hα-helixtrans-62.1-30.517653.80000112.1R93 M210 P211 A217 F218R93-T214 WeakPolarHBondContact CB-OG1 3.39Å; M210-T214 HydrophobicContact CB-CG2 4.43Å; M210-T214 HydrophobicContact CE-CG2 3.49Å; M210-T214 VanDerWaalsContact CE-CG2 3.49Å; P211-T214 PolarHBondContact O-N 2.87Å; T214-A217 WeakPolarHBondContact O-CB 3.28Å; T214-A217 PolarHBondContact O-N 3.19Å; T214-F218 WeakPolarHBondContact O-CD1 3.42Å; T214-F218 VanDerWaalsContact O-CG 3.23Å; T214-F218 WeakPolarHBondContact O-CG 3.34Å; T214-F218 PolarHBondContact O-N 3.25Å
215N86.5Confident72.6Confident22 Ų2255.5 Ų55.512%0.11833%0.327CS..Hα-helixtrans-71.2-36.2176.3-57.7-76.4000111.6K92 R93 V95 D213 A217 F218 K219K92-N215 WeakPolarHBondContact CA-OD1 3.46Å; R93-N215 PolarHBondContact N-OD1 3.28Å; R93-N215 PolarHBondContact O-ND2 2.81Å; V95-N215 WeakPolarHBondContact CG2-ND2 3.29Å; D213-N215 PolarHBondContact O-N 3.2Å; D213-N215 WeakPolarHBondContact OD1-CA 3.5Å; D213-N215 VanDerWaalsContact OD1-CB 3.29Å; D213-N215 WeakPolarHBondContact OD1-CB 3.36Å; D213-N215 PolarHBondContact OD1-N 3.2Å; D213-N215 PolarHBondContact OD1-ND2 2.65Å; N215-A217 VanDerWaalsContact C-N 3.33Å; N215-F218 PolarHBondContact O-N 2.9Å; N215-K219 WeakPolarHBondContact O-CB 3.43Å; N215-K219 PolarHBondContact O-N 3.1Å
216K86.5Confident74.7Confident143 Ų14358.2 Ų58.262%0.62233%0.331SS*.Hα-helixtrans-63.6-42.9172.5-172.5179.3179.2-178.40110.5D213 F218 K219 T220D213-K216 HydrophobicContact CB-CB 3.81Å; D213-K216 WeakPolarHBondContact O-CB 3.36Å; D213-K216 PolarHBondContact O-N 2.91Å; D213-K216 PolarHBondContact OD1-N 2.83Å; K216-F218 VanDerWaalsContact C-N 3.34Å; K216-F218 PolarHBondContact O-N 3.35Å; K216-K219 PolarHBondContact O-N 3.16Å; K216-T220 PolarHBondContact O-N 3.39Å; K216-T220 PolarHBondContact O-OG1 3.46Å
217A86.1Confident76.9Confident10 Ų1062 Ų628%0.08334%0.341CS..Hα-helixtrans-57.5-47.2174.400000111.7L55 P211 D213 T214 N215 K219 T220 E221L55-A217 HydrophobicContact CD1-CB 4.04Å; P211-A217 HydrophobicContact CB-CB 3.97Å; P211-A217 HydrophobicContact CG-CB 3.63Å; D213-A217 PolarHBondContact O-N 3.23Å; D213-A217 VanDerWaalsContact O-N 3.08Å; T214-A217 WeakPolarHBondContact O-CB 3.28Å; T214-A217 PolarHBondContact O-N 3.19Å; N215-A217 VanDerWaalsContact C-N 3.33Å; A217-K219 VanDerWaalsContact C-N 3.33Å; A217-K219 PolarHBondContact O-N 3.07Å; A217-T220 PolarHBondContact O-N 2.87Å; A217-E221 WeakPolarHBondContact O-CB 3.21Å; A217-E221 WeakPolarHBondContact O-CG 3.44Å; A217-E221 PolarHBondContact O-N 2.93Å
218F90.5Very high79.1Confident1 Ų160.5 Ų60.50%0.00433%0.325CS..Hα-helixtrans-61.9-40.3177.2-67.8-8.4000112.4D51 L55 F87 F88 T91 R93 T214 N215 K216 E221 W222D51-F218 HydrophobicContact CB-CE1 4.36Å; D51-F218 HydrophobicContact CB-CZ 4.03Å; L55-F218 HydrophobicContact CD1-CE1 4.38Å; L55-F218 HydrophobicContact CD2-CD1 3.55Å; L55-F218 HydrophobicContact CD2-CE1 3.79Å; L55-F218 HydrophobicContact CG-CD1 4.29Å; L55-F218 HydrophobicContact CG-CE1 4.04Å; F87-F218 HydrophobicContact CE1-CE2 4.38Å; F87-F218 HydrophobicContact CE1-CZ 4.14Å; F88-F218 HydrophobicContact CB-CB 4.16Å; F88-F218 HydrophobicContact CD1-CB 3.83Å; F88-F218 AromaticContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CE1 4.5Å; F88-F218 AromaticContact CD1-CG 3.83Å; F88-F218 HydrophobicContact CD1-CG 3.83Å; F88-F218 AromaticContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CE1 4.47Å; F88-F218 HydrophobicContact CE1-CG 4.47Å; F88-F218 HydrophobicContact CG-CB 4.34Å; T91-F218 HydrophobicContact CG2-CE2 3.87Å; T91-F218 WeakPolarHBondContact O-CD2 3.11Å; R93-F218 HydrophobicContact CG-CE2 3.96Å; R93-F218 HydrophobicContact CG-CZ 4.44Å; T214-F218 WeakPolarHBondContact O-CD1 3.42Å; T214-F218 VanDerWaalsContact O-CG 3.23Å; T214-F218 WeakPolarHBondContact O-CG 3.34Å; T214-F218 PolarHBondContact O-N 3.25Å; N215-F218 PolarHBondContact O-N 2.9Å; K216-F218 VanDerWaalsContact C-N 3.34Å; K216-F218 PolarHBondContact O-N 3.35Å; F218-E221 PolarHBondContact O-N 3.42Å; F218-W222 VanDerWaalsContact O-CB 3.26Å; F218-W222 WeakPolarHBondContact O-CB 3.48Å; F218-W222 PolarHBondContact O-N 2.95Å
219K90.1Very high81.2Confident128 Ų12861.6 Ų61.656%0.55733%0.333SS*.Hα-helixtrans-64-47.1176.3-175.4178.2172.9-177.40111.7N215 K216 A217 E221 W222 E223N215-K219 WeakPolarHBondContact O-CB 3.43Å; N215-K219 PolarHBondContact O-N 3.1Å; K216-K219 PolarHBondContact O-N 3.16Å; A217-K219 VanDerWaalsContact C-N 3.33Å; A217-K219 PolarHBondContact O-N 3.07Å; K219-E221 VanDerWaalsContact C-N 3.33Å; K219-E221 PolarHBondContact O-N 2.84Å; K219-W222 WeakPolarHBondContact O-CB 3.26Å; K219-W222 PolarHBondContact O-N 3.3Å; K219-E223 WeakPolarHBondContact CE-OE1 3.09Å; K219-E223 IonicContact NZ-OE1 3.9Å; K219-E223 WeakPolarHBondContact O-CG 3.3Å; K219-E223 PolarHBondContact O-N 3.48Å
220T90.1Very high83.3Confident74 Ų7460 Ų6045%0.45431%0.314SS..Hα-helixtrans-62.9-40.1178.3-61.20000111.9K216 A217 E223 A224K216-T220 PolarHBondContact O-N 3.39Å; K216-T220 PolarHBondContact O-OG1 3.46Å; A217-T220 PolarHBondContact O-N 2.87Å; T220-E223 PolarHBondContact O-N 2.94Å; T220-A224 VanDerWaalsContact O-CB 3.28Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.18Å
221E90.2Very high85.2Confident20 Ų2065.4 Ų65.49%0.09334%0.339CS..Hα-helixtrans-70.7-36.3177.2-74.4-78.515900112.2L55 S58 R62 F88 A217 F218 K219 A224 L225L55-E221 HydrophobicContact CD2-CB 4.23Å; L55-E221 HydrophobicContact CD2-CG 3.78Å; S58-E221 PolarHBondContact OG-OE2 3.41Å; R62-E221 IonicContact CZ-OE1 2.78Å; R62-E221 IonicContact CZ-OE2 3.83Å; R62-E221 VanDerWaalsContact CZ-OE2 3.27Å; R62-E221 IonicContact NE-OE2 3.18Å; R62-E221 PolarHBondContact NE-OE2 3.23Å; R62-E221 IonicContact NH2-OE1 2.87Å; R62-E221 PolarHBondContact NH2-OE1 2.83Å; R62-E221 IonicContact NH2-OE2 3.85Å; R62-E221 PolarHBondContact NH2-OE2 3.49Å; F88-E221 HydrophobicContact CE1-CB 4.45Å; F88-E221 HydrophobicContact CE2-CB 4.05Å; F88-E221 HydrophobicContact CZ-CB 3.97Å; A217-E221 WeakPolarHBondContact O-CB 3.21Å; A217-E221 WeakPolarHBondContact O-CG 3.44Å; A217-E221 PolarHBondContact O-N 2.93Å; F218-E221 PolarHBondContact O-N 3.42Å; K219-E221 VanDerWaalsContact C-N 3.33Å; K219-E221 PolarHBondContact O-N 2.84Å; E221-A224 PolarHBondContact O-N 3.33Å; E221-L225 WeakPolarHBondContact O-CB 3.38Å; E221-L225 PolarHBondContact O-N 3.44Å
222W91.6Very high87.1Confident84 Ų8465.6 Ų65.632%0.31833%0.332SS..Hα-helixtrans-59.4-51.6171.3-176.588.7000111N81 F88 F218 K219 A224 L225 E226N81-W222 VanDerWaalsContact CG-CD1 3.47Å; N81-W222 PolarHBondContact ND2-O 2.86Å; N81-W222 PolarHBondContact O-NE1 3.45Å; N81-W222 VanDerWaalsContact O-NE1 3.15Å; N81-W222 VanDerWaalsContact OD1-CD1 3.29Å; F88-W222 HydrophobicContact CB-CB 4Å; F88-W222 HydrophobicContact CB-CG 4.47Å; F88-W222 HydrophobicContact CD2-CB 4.1Å; F88-W222 HydrophobicContact CG-CB 4.4Å; F218-W222 VanDerWaalsContact O-CB 3.26Å; F218-W222 WeakPolarHBondContact O-CB 3.48Å; F218-W222 PolarHBondContact O-N 2.95Å; K219-W222 WeakPolarHBondContact O-CB 3.26Å; K219-W222 PolarHBondContact O-N 3.3Å; W222-A224 PolarHBondContact O-N 2.94Å; W222-L225 PolarHBondContact O-N 3.24Å; W222-E226 WeakPolarHBondContact O-CB 3.29Å; W222-E226 PolarHBondContact O-N 2.82Å
223E91.8Very high88.4Confident83 Ų8365.3 Ų65.339%0.38833%0.329SS..Hα-helixtrans-59.8-45.1178.4-71.2170.6177.700111.5K219 T220 E226 L227K219-E223 WeakPolarHBondContact CE-OE1 3.09Å; K219-E223 IonicContact NZ-OE1 3.9Å; K219-E223 WeakPolarHBondContact O-CG 3.3Å; K219-E223 PolarHBondContact O-N 3.48Å; T220-E223 PolarHBondContact O-N 2.94Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.18Å; E223-L227 PolarHBondContact O-N 2.99Å
224A92.5Very high89.1Confident24 Ų2467.3 Ų67.320%0.19834%0.339CS..Hα-helixtrans-70.5-36.7-177.600000112.7T220 E221 W222 E226 T228T220-A224 VanDerWaalsContact O-CB 3.28Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.18Å; E221-A224 PolarHBondContact O-N 3.33Å; W222-A224 PolarHBondContact O-N 2.94Å; A224-E226 VanDerWaalsContact C-N 3.3Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 2.92Å
225L91.3Very high89.2Confident0 Ų071.7 Ų71.70%036%0.362CS..Hα-helixtrans-71.1-29.5174-174.562.7000111.3L61 R62 K77 F80 E221 W222 T228L61-L225 HydrophobicContact CD2-CD1 3.95Å; L61-L225 HydrophobicContact CD2-CD2 4.31Å; L61-L225 HydrophobicContact CG-CD1 4.29Å; R62-L225 HydrophobicContact CG-CB 4.42Å; R62-L225 HydrophobicContact CG-CD1 3.56Å; K77-L225 WeakPolarHBondContact CE-O 3.23Å; K77-L225 HydrophobicContact CG-CG 4.21Å; K77-L225 PolarHBondContact NZ-O 3.26Å; K77-L225 VanDerWaalsContact NZ-O 3.16Å; F80-L225 HydrophobicContact CB-CD2 3.54Å; F80-L225 HydrophobicContact CD2-CD2 3.83Å; F80-L225 HydrophobicContact CG-CD2 4.01Å; E221-L225 WeakPolarHBondContact O-CB 3.38Å; E221-L225 PolarHBondContact O-N 3.44Å; W222-L225 PolarHBondContact O-N 3.24Å; L225-T228 PolarHBondContact O-N 3.29Å
226E90.6Very high89.1Confident89 Ų8975.7 Ų75.742%0.41638%0.383SS..Hα-helixtrans-65.4-43.5175.3-163.558.8-156.600110.9K77 N81 W222 E223 A224 T228K77-E226 PolarHBondContact NZ-O 3.18Å; N81-E226 WeakPolarHBondContact ND2-CA 3.47Å; N81-E226 PolarHBondContact ND2-N 3.46Å; N81-E226 PolarHBondContact ND2-OE2 2.8Å; W222-E226 WeakPolarHBondContact O-CB 3.29Å; W222-E226 PolarHBondContact O-N 2.82Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 3.27Å; A224-E226 VanDerWaalsContact C-N 3.3Å; E226-T228 PolarHBondContact O-N 3.41Å
227L90.9Very high89Confident146 Ų14671.8 Ų71.876%0.76437%0.371SS*.SBendtrans-72.3-11.7175.4-65.9171.8000114.1E223E223-L227 WeakPolarHBondContact O-CG 3.18Å; E223-L227 PolarHBondContact O-N 2.99Å
228T89.1Confident88.9Confident32 Ų3278.8 Ų78.820%0.19640%0.402CS..PPolyproline II helixtrans-86.5118.2-179.9-54.90000110.3R62 F73 K77 A224 L225 E226R62-T228 HydrophobicContact CB-CG2 4.26Å; R62-T228 WeakPolarHBondContact CD-OG1 3.13Å; R62-T228 HydrophobicContact CG-CG2 4.22Å; R62-T228 WeakPolarHBondContact CG-OG1 3.44Å; F73-T228 HydrophobicContact CE2-CG2 4.5Å; F73-T228 HydrophobicContact CZ-CG2 4.05Å; K77-T228 PolarHBondContact NZ-O 3.41Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 2.92Å; L225-T228 PolarHBondContact O-N 3.29Å; E226-T228 PolarHBondContact O-N 3.41Å
229D89.4Confident88.6Confident127 Ų12785.5 Ų85.568%0.67943%0.433SS*.PPolyproline II helixtrans-96.3152171.4-72.4-41.4000111.9
230H92.3Very high88.4Confident34 Ų3484.6 Ų84.616%0.15743%0.431CS..PPolyproline II helixtrans-80.7121.5179-177.364.7000111G65 I68 K70 F73 W232G65-H230 PolarHBondContact O-CE1 3.38Å; G65-H230 PolarHBondContact O-ND1 3.39Å; G65-H230 VanDerWaalsContact O-ND1 3.11Å; I68-H230 PolarHBondContact O-CE1 2.95Å; I68-H230 PolarHBondContact O-NE2 3.33Å; K70-H230 VanDerWaalsContact CA-CD2 3.42Å; K70-H230 WeakPolarHBondContact CA-CD2 3.21Å; K70-H230 VanDerWaalsContact CB-CD2 3.46Å; K70-H230 WeakPolarHBondContact CB-CD2 3.23Å; K70-H230 HydrophobicContact CG-CB 4.48Å; K70-H230 PolarHBondContact N-NE2 3.08Å; F73-H230 HydrophobicContact CB-CB 4.37Å; F73-H230 HydrophobicContact CD1-CB 3.6Å; F73-H230 HydrophobicContact CE1-CB 3.97Å; F73-H230 HydrophobicContact CG-CB 3.97Å; F73-H230 AromaticContact CG-ND1 3.69Å; H230-W232 AromaticContact CE1-CE3 3.99Å; H230-W232 AromaticContact NE2-CE3 3.85Å
231Q87.9Confident88Confident157 Ų15785.7 Ų85.773%0.73443%0.434SS*.  trans-113.8111.9170.3-65.2178.4-9.700108.2K66 A233K66-Q231 WeakPolarHBondContact CA-O 3.33Å; K66-Q231 WeakPolarHBondContact CB-O 3Å; Q231-A233 PolarHBondContact O-N 3.18Å
232W89.7Confident87.6Confident69 Ų6992.3 Ų92.326%0.26147%0.467SS..  trans-79119.8-178.2-177-125.7000109.7K66 Y67 I68 P69 H230 L234 D235K66-W232 WeakPolarHBondContact O-CZ3 3.22Å; Y67-W232 VanDerWaalsContact C-CZ3 3.43Å; I68-W232 WeakPolarHBondContact O-CZ3 3.34Å; P69-W232 HydrophobicContact CG-CH2 4.24Å; H230-W232 AromaticContact CE1-CE3 3.99Å; H230-W232 AromaticContact NE2-CE3 3.85Å; W232-L234 VanDerWaalsContact CD1-C 3.47Å; W232-L234 HydrophobicContact CH2-CD1 4.17Å; W232-L234 HydrophobicContact CZ2-CB 4.07Å; W232-L234 HydrophobicContact CZ2-CD1 3.71Å; W232-L234 HydrophobicContact CZ2-CG 4.17Å; W232-L234 PolarHBondContact O-N 2.91Å; W232-D235 HydrophobicContact CB-CB 4.49Å; W232-D235 WeakPolarHBondContact CB-OD2 3.02Å; W232-D235 PolarHBondContact O-N 3.37Å
233A87.1Confident87Confident54 Ų5492.4 Ų92.445%0.44649%0.486SS..THydrogen-bonded Turntrans-68-16.8-177.100000113.4K66 Y67 Q231K66-A233 HydrophobicContact CB-CB 4.14Å; K66-A233 HydrophobicContact CD-CB 4.41Å; K66-A233 HydrophobicContact CG-CB 4.38Å; K66-A233 WeakPolarHBondContact O-CB 3.37Å; K66-A233 PolarHBondContact O-N 3.26Å; Y67-A233 HydrophobicContact CD1-CB 4.45Å; Q231-A233 PolarHBondContact O-N 3.18Å
234L85.2Confident86.1Confident92 Ų9294 Ų9448%0.48249%0.491SS..THydrogen-bonded Turntrans-10712.4-177.9-53.7174.5000113W232 D236 V237W232-L234 VanDerWaalsContact CD1-C 3.47Å; W232-L234 HydrophobicContact CH2-CD1 4.17Å; W232-L234 HydrophobicContact CZ2-CB 4.07Å; W232-L234 HydrophobicContact CZ2-CD1 3.71Å; W232-L234 HydrophobicContact CZ2-CG 4.17Å; W232-L234 PolarHBondContact O-N 2.91Å; L234-D236 VanDerWaalsContact C-N 3.29Å; L234-D236 PolarHBondContact O-N 3.35Å; L234-V237 HydrophobicContact CB-CB 4.29Å; L234-V237 HydrophobicContact CB-CG1 4.08Å; L234-V237 HydrophobicContact CD2-CB 4.16Å; L234-V237 HydrophobicContact CD2-CG1 4.47Å; L234-V237 HydrophobicContact CD2-CG2 4.13Å; L234-V237 WeakPolarHBondContact O-CG1 3.48Å
235D83.9Confident85.2Confident117 Ų11799.4 Ų99.463%0.62652%0.517SS*.THydrogen-bonded Turntrans-58.7-44.3178.4-88.1-23.2000110.5W232W232-D235 HydrophobicContact CB-CB 4.49Å; W232-D235 WeakPolarHBondContact CB-OD2 3.02Å; W232-D235 PolarHBondContact O-N 3.37Å
236D84.1Confident83.9Confident105 Ų105103.3 Ų103.356%0.56154%0.537SS*.THydrogen-bonded Turntrans-103.913.8-175.6-53.2-41.9000113.5L234 E238 E239 E240L234-D236 VanDerWaalsContact C-N 3.29Å; L234-D236 PolarHBondContact O-N 3.35Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.64Å; D236-E239 PolarHBondContact O-N 3.06Å; D236-E240 WeakPolarHBondContact O-CB 3.26Å; D236-E240 PolarHBondContact O-N 3.16Å
237V85Confident82.5Confident62 Ų62106 Ų10638%0.37655%0.55SS..Hα-helixtrans-62.3-34.9-172.470.90000112.4L234 L241L234-V237 HydrophobicContact CB-CB 4.29Å; L234-V237 HydrophobicContact CB-CG1 4.08Å; L234-V237 HydrophobicContact CD2-CB 4.16Å; L234-V237 HydrophobicContact CD2-CG1 4.47Å; L234-V237 HydrophobicContact CD2-CG2 4.13Å; L234-V237 WeakPolarHBondContact O-CG1 3.48Å; V237-L241 WeakPolarHBondContact O-CB 3.46Å; V237-L241 PolarHBondContact O-N 2.94Å
238E83.5Confident81.2Confident156 Ų156104 Ų10473%0.72954%0.535SS*.Hα-helixtrans-70-43178.3-63.8-176.1173.500110.8D236 L241 M242D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.64Å; E238-L241 PolarHBondContact O-N 2.96Å; E238-M242 WeakPolarHBondContact O-CB 3.42Å; E238-M242 WeakPolarHBondContact O-CG 3.36Å; E238-M242 PolarHBondContact O-N 2.8Å
239E85Confident79.8Confident142 Ų142110.6 Ų110.666%0.66456%0.563SS**Hα-helixtrans-65.3-43.3176.2-63.6-169.8177.100111.5D236 L241 M242 A243D236-E239 PolarHBondContact O-N 3.06Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 3.5Å; E239-M242 PolarHBondContact O-N 2.99Å; E239-A243 WeakPolarHBondContact O-CB 3.43Å; E239-A243 PolarHBondContact O-N 3.1Å
240E84.4Confident78.4Confident109 Ų109106.6 Ų106.651%0.50955%0.552SS.*Hα-helixtrans-64.2-38.6176.4-169.1-175.6174.200111.8D236 K244D236-E240 WeakPolarHBondContact O-CB 3.26Å; D236-E240 PolarHBondContact O-N 3.16Å; E240-K244 HydrophobicContact CG-CD 4.44Å; E240-K244 WeakPolarHBondContact O-CG 3.21Å; E240-K244 PolarHBondContact O-N 2.88Å; E240-K244 VanDerWaalsContact O-N 3.15Å; E240-K244 WeakPolarHBondContact OE1-CE 3.16Å; E240-K244 IonicContact OE1-NZ 3.19Å; E240-K244 PolarHBondContact OE1-NZ 2.66Å
241L83.4Confident76.6Confident98 Ų98111 Ų11151%0.51357%0.574SS.*Hα-helixtrans-69.1-38.9177.4-172.170.5000111.8V237 E238 E239 L246V237-L241 WeakPolarHBondContact O-CB 3.46Å; V237-L241 PolarHBondContact O-N 2.94Å; E238-L241 PolarHBondContact O-N 2.96Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 3.5Å; L241-L246 HydrophobicContact CD1-CD2 3.71Å; L241-L246 HydrophobicContact CG-CD2 4.27Å
242M81.4Confident75.4Confident158 Ų158112 Ų11278%0.77858%0.577SS**Hα-helixtrans-75.5-32.3178.1-69.5-67.7-69.300112.6E238 E239E238-M242 WeakPolarHBondContact O-CB 3.42Å; E238-M242 WeakPolarHBondContact O-CG 3.36Å; E238-M242 PolarHBondContact O-N 2.8Å; E239-M242 PolarHBondContact O-N 2.99Å
243A79.5Confident73.8Confident87 Ų87117 Ų11772%0.71960%0.601SS**Hα-helixtrans-77.2-24.9178.300000113.1E239E239-A243 WeakPolarHBondContact O-CB 3.43Å; E239-A243 PolarHBondContact O-N 3.1Å
244K72.8Confident72Confident117 Ų117123.5 Ų123.551%0.50962%0.618SS.*SBendtrans-79.6121.1170.4-76.6173.8-175.9165.90108.5E240 L246E240-K244 HydrophobicContact CG-CD 4.44Å; E240-K244 WeakPolarHBondContact O-CG 3.21Å; E240-K244 PolarHBondContact O-N 2.88Å; E240-K244 VanDerWaalsContact O-N 3.15Å; E240-K244 WeakPolarHBondContact OE1-CE 3.16Å; E240-K244 IonicContact OE1-NZ 3.19Å; E240-K244 PolarHBondContact OE1-NZ 2.66Å; K244-L246 PolarHBondContact O-N 3.45Å
245D72.1Confident70.1Confident136 Ų136127.3 Ų127.373%0.72763%0.634SS**  trans-52.2110.7160.7-81.8-34.4000107.3H247D245-H247 PolarHBondContact O-CD2 3.15Å; D245-H247 PolarHBondContact O-N 3.49Å
246L64.5Low68.4Low83 Ų83128.9 Ų128.944%0.43564%0.641SS.*  trans-68.381.3177.7-69.5159.1000107.5L241 K244 F248L241-L246 HydrophobicContact CD1-CD2 3.71Å; L241-L246 HydrophobicContact CG-CD2 4.27Å; K244-L246 PolarHBondContact O-N 3.45Å; L246-F248 HydrophobicContact CB-CD2 3.83Å; L246-F248 HydrophobicContact CB-CE1 4.31Å; L246-F248 HydrophobicContact CB-CE2 3.3Å; L246-F248 HydrophobicContact CB-CZ 3.59Å; L246-F248 HydrophobicContact CD1-CE2 4.01Å; L246-F248 HydrophobicContact CD1-CZ 3.79Å; L246-F248 HydrophobicContact CD2-CE1 4.48Å; L246-F248 HydrophobicContact CD2-CZ 4.14Å; L246-F248 HydrophobicContact CG-CE2 4.18Å; L246-F248 HydrophobicContact CG-CZ 4.05Å; L246-F248 WeakPolarHBondContact O-CD2 3.37Å; L246-F248 PolarHBondContact O-N 2.88Å
247H61.3Low66.5Low146 Ų146132.4 Ų132.468%0.67665%0.654SS**  trans-70.579.6170.7-75.1-76.5000108.7D245 E249D245-H247 PolarHBondContact O-CD2 3.15Å; D245-H247 PolarHBondContact O-N 3.49Å; H247-E249 PolarHBondContact O-N 2.9Å; H247-E249 VanDerWaalsContact O-N 3.12Å
248F63.9Low64.7Low103 Ų103135.2 Ų135.245%0.45267%0.672SS.*G310 helixtrans-64.2-10.3175.4-65.7-74.9000113.1L246 G250 M251L246-F248 HydrophobicContact CB-CD2 3.83Å; L246-F248 HydrophobicContact CB-CE1 4.31Å; L246-F248 HydrophobicContact CB-CE2 3.3Å; L246-F248 HydrophobicContact CB-CZ 3.59Å; L246-F248 HydrophobicContact CD1-CE2 4.01Å; L246-F248 HydrophobicContact CD1-CZ 3.79Å; L246-F248 HydrophobicContact CD2-CE1 4.48Å; L246-F248 HydrophobicContact CD2-CZ 4.14Å; L246-F248 HydrophobicContact CG-CE2 4.18Å; L246-F248 HydrophobicContact CG-CZ 4.05Å; L246-F248 WeakPolarHBondContact O-CD2 3.37Å; L246-F248 PolarHBondContact O-N 2.88Å; F248-G250 PolarHBondContact O-N 3.21Å; F248-G250 VanDerWaalsContact O-N 3.08Å; F248-M251 HydrophobicContact CD1-CE 3.76Å; F248-M251 HydrophobicContact CD1-SD 4.33Å; F248-M251 HydrophobicContact CE1-CE 3.93Å; F248-M251 PolarHBondContact O-N 3Å; F248-M251 VanDerWaalsContact O-N 3.11Å
249E60.3Low62.6Low170 Ų170131.9 Ų131.979%0.79467%0.666SS**G310 helixtrans-59.1-21.8-179.2-67.2-166.5158.300114H247H247-E249 PolarHBondContact O-N 2.9Å; H247-E249 VanDerWaalsContact O-N 3.12Å
250G58.3Low60.9Low44 Ų44133.1 Ų133.145%0.45468%0.675SS.*G310 helixtrans-100.3-17.8176.200000115.4F248 K253F248-G250 PolarHBondContact O-N 3.21Å; F248-G250 VanDerWaalsContact O-N 3.08Å; G250-K253 PolarHBondContact O-N 3.42Å
251M55.5Low59.4Low125 Ų125141.2 Ų141.262%0.61671%0.709SS**THydrogen-bonded Turntrans-72.7-34.6-171.4-159.3-174.8-65.400111.8F248F248-M251 HydrophobicContact CD1-CE 3.76Å; F248-M251 HydrophobicContact CD1-SD 4.33Å; F248-M251 HydrophobicContact CE1-CE 3.93Å; F248-M251 PolarHBondContact O-N 3Å; F248-M251 VanDerWaalsContact O-N 3.11Å
252F61.7Low58.2Low178 Ų178143.4 Ų143.478%0.78172%0.719SS**THydrogen-bonded Turntrans-87.5-8.8176-62.1-75.4000114
253K56.9Low57Low176 Ų176142.6 Ų142.677%0.76572%0.716SS**THydrogen-bonded Turntrans-92.4-13.9179.6-88.9-174178.3175.30114.4G250 E255G250-K253 PolarHBondContact O-N 3.42Å; K253-E255 PolarHBondContact O-N 2.94Å
254K48.6Very low55.8Low189 Ų189145.7 Ų145.782%0.82272%0.716SS**SBendtrans-78.686.3164.6-84.8-175.5175178.50107.5L256K254-L256 PolarHBondContact O-N 3.12Å; K254-L256 VanDerWaalsContact O-N 3.13Å
255E46.3Very low54.8Low172 Ų172147.4 Ų147.480%0.80473%0.728SS**  trans-33.8122.6154.4-75.9179.2155.200108K253 Q257K253-E255 PolarHBondContact O-N 2.94Å; E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 2.72Å
256L48.7Very low53.7Low150 Ų150148.1 Ų148.179%0.78573%0.728SS**  trans-46.4101.4168.1-145.288.1000105.8K254 T258K254-L256 PolarHBondContact O-N 3.12Å; K254-L256 VanDerWaalsContact O-N 3.13Å; L256-T258 HydrophobicContact CB-CG2 4.46Å; L256-T258 HydrophobicContact CD2-CG2 3.66Å; L256-T258 HydrophobicContact CG-CG2 4.37Å; L256-T258 PolarHBondContact O-N 3.07Å
257Q42.8Very low53Low179 Ų179152.4 Ų152.484%0.83675%0.748SS**  trans-69.379.5169.3-82.9-172.4-29.300106.2E255 S259E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 2.72Å; Q257-S259 PolarHBondContact O-N 2.66Å
258T46.8Very low52.4Low122 Ų122152.9 Ų152.975%0.74875%0.753SS**  trans-65.481.2161.344.80000106.9L256L256-T258 HydrophobicContact CB-CG2 4.46Å; L256-T258 HydrophobicContact CD2-CG2 3.66Å; L256-T258 HydrophobicContact CG-CG2 4.37Å; L256-T258 PolarHBondContact O-N 3.07Å
259S41.1Very low51.5Low85 Ų85156.7 Ų156.759%0.59478%0.776SS**  trans-149.261.6168.967.20000110.1Q257Q257-S259 PolarHBondContact O-N 2.66Å
260I48.5Very low50.7Low168 Ų168155.6 Ų155.686%0.86277%0.774SS**  trans-13976.8151.5-50.1178.7000106.6
261F53.4Low50Low279 Ų279165.7 Ų165.7100%1.22480%0.803SS**  trans-77.60136.5-76.1-77.3000106.9

Retrieved 261 of 261 residues in 50.9 ms (Link to these results)