A0A087Y6N2_POEFO Loading...

KAT8 regulatory NSL complex subunit 2

Non-catalytic component of the NSL histone acetyltransferase complex, a multiprotein complex that mediates histone H4 acetylation at 'Lys-5'- and 'Lys-8' (H4K5ac and H4K8ac) at transcription start sites and promotes transcription initiation. Required for NSL complex stability and for transcription of intraciliary transport genes in both ciliated and non-ciliated cells by regulating histone H4 acetylation at 'Lys-5'- and 'Lys-12' (H4K5ac and H4K12ac). This is necessary for cilium assembly in ciliated cells and for organization of the microtubule cytoskeleton in non-ciliated cells. Required within the NSL complex to maintain nuclear architecture stability by promoting KAT8-mediated acetylation of lamin LMNA.

AlphaFold DB (A0A3B3UJV1), UniProt , Accession A0A087Y6N2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 506 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
1M43.7Very low40.9Very low243 Ų243164.5 Ų164.5100%1.19783%0.83SS**  0136.30-79.681.1167.500109.6
2N39.8Very low40.8Very low155 Ų155159.7 Ų159.783%0.82982%0.823SS**  trans-87.3158.5174.2-70.7-44.3000111.8
3R39Very low41.4Very low228 Ų228166.6 Ų166.686%0.8683%0.832SS**  trans101.8140147.9-59-174.2160.2143.6-4.5118.3
4I41Very low41.4Very low121 Ų121165.3 Ų165.362%0.62183%0.829SS**  cis-173.5146-8.5-106.1164.6000108.4
5R44Very low42.1Very low204 Ų204171.1 Ų171.177%0.7784%0.838SS**  trans54.6146.2148.9-74.6174.6169135.7-3.4121.4
6I44Very low42.1Very low162 Ų162168.6 Ų168.683%0.83184%0.835SS**  -151.414666-71.3160.2000112.8
7H41.9Very low42.4Very low162 Ų162165.1 Ų165.175%0.7583%0.83SS**  trans-81.4146.6172.4-84.5-100.9000112.7
8V41Very low42.4Very low141 Ų141166.8 Ų166.886%0.85584%0.835SS**  trans-131.9133.5154.3-176.90000110
9L37.7Very low42.3Very low156 Ų156164.9 Ų164.982%0.81783%0.833SS**PPolyproline II helixtrans-74.6164.1-176-76.3160.2000113.5
10P41.3Very low42.6Very low121 Ų121161.5 Ų161.579%0.78683%0.832SS**PPolyproline II helixtrans-78.5132.8-176.530.8-32.6000112.7
11S36.1Very low42.7Very low117 Ų117164.7 Ų164.782%0.81883%0.833SS**PPolyproline II helixtrans-84.1118.6173.9-171.90000111.1R13S11-R13 PolarHBondContact O-N 3.38Å
12S40.2Very low42.9Very low106 Ų106159 Ų15974%0.74181%0.814SS**PPolyproline II helixtrans-54.5120.1170.148.30000112.2
13R48.3Very low43.7Very low250 Ų250159.6 Ų159.694%0.94381%0.812SS**PPolyproline II helixtrans-91.7130.1163.6-93.2-177173177.3-1.7110.1S11S11-R13 PolarHBondContact O-N 3.38Å
14N41.3Very low44.6Very low148 Ų148157 Ų15779%0.79181%0.81SS**  trans-45.2146.6179.3-73.5-27.4000114.8V16N14-V16 PolarHBondContact O-N 2.86Å; N14-V16 VanDerWaalsContact O-N 3.16Å
15R52.3Low45.5Very low253 Ų253156.4 Ų156.496%0.95581%0.814SS**  trans-48.6115.8159-81.8-178.6-175-160.20.1109.5
16V42.2Very low47Very low131 Ų131151.9 Ų151.979%0.79480%0.802SS**  trans-97.5123.3160.2179.90000106.6N14 Q18N14-V16 PolarHBondContact O-N 2.86Å; N14-V16 VanDerWaalsContact O-N 3.16Å; V16-Q18 PolarHBondContact O-N 3.45Å
17S46.4Very low48.9Very low108 Ų108146.7 Ų146.776%0.75578%0.783SS**  trans-51.5131.3170.9-67.80000110.1T19S17-T19 PolarHBondContact O-N 3.25Å
18Q42.9Very low51.1Low196 Ų196139.4 Ų139.492%0.91675%0.75SS**  trans-56.1113.8175.4-64.7177.513.300109.1V16 A20V16-Q18 PolarHBondContact O-N 3.45Å; Q18-A20 PolarHBondContact O-N 2.98Å
19T40.3Very low53.2Low131 Ų131134.4 Ų134.480%0.80472%0.723SS**PPolyproline II helixtrans-65.6125.7166.947.30000108.4S17 R21S17-T19 PolarHBondContact O-N 3.25Å; T19-R21 PolarHBondContact O-N 3.34Å
20A48.8Very low55.4Low97 Ų97128.3 Ų128.380%0.80269%0.69SS**PPolyproline II helixtrans-54.6133.1176.300000110.8Q18Q18-A20 PolarHBondContact O-N 2.98Å
21R45.7Very low57.2Low228 Ų228128.9 Ų128.986%0.8669%0.692SS**PPolyproline II helixtrans-53.8130.1174.3-160.3177.9-173.3-178.41109.1T19 Q23T19-R21 PolarHBondContact O-N 3.34Å; R21-Q23 PolarHBondContact O-N 3.38Å
22P47Very low59.3Low124 Ų124130.8 Ų130.881%0.80569%0.688SS**  trans-63.3110.617323.8-29.4000108.1
23Q56.5Low61.3Low167 Ų167135.1 Ų135.178%0.7869%0.688SS**  trans-65.1133.9170.6-74.7-174.3-17.100108R21R21-Q23 PolarHBondContact O-N 3.38Å
24E57Low62.7Low175 Ų175129.5 Ų129.582%0.81868%0.684SS**  trans-54.1137.3173.3-75.4-178.6134.900109.9Q26E24-Q26 PolarHBondContact O-N 2.94Å
25P59.8Low64.8Low108 Ų108123.4 Ų123.470%0.70165%0.653SS**  trans-62.6102.8-178.324.2-32.1000109.6A27 P38P25-A27 PolarHBondContact O-N 3.39Å; P25-P38 HydrophobicContact CB-CB 4.16Å
26Q75.8Confident66.4Low109 Ų109117.6 Ų117.651%0.50965%0.645SS.*PPolyproline II helixtrans-63.9134.9177-67.1177.98.500109.4E24 R39E24-Q26 PolarHBondContact O-N 2.94Å; Q26-R39 WeakPolarHBondContact O-CB 3.41Å; Q26-R39 VanDerWaalsContact O-CG 3.27Å; Q26-R39 WeakPolarHBondContact O-CG 3.33Å; Q26-R39 PolarHBondContact O-N 3.41Å
27A84.6Confident68.5Low53 Ų53115.4 Ų115.444%0.43863%0.626SS.*BIsolated β-bridgetrans-71.7145.9178.900000111.4P25 A29 R39P25-A27 PolarHBondContact O-N 3.39Å; A27-A29 PolarHBondContact O-N 3.32Å; A27-R39 PolarHBondContact O-NE 2.82Å; A27-R39 PolarHBondContact O-NH2 3.09Å; A27-R39 VanDerWaalsContact O-NH2 3.09Å
28C88.6Confident70.4Confident9 Ų9113.5 Ų113.56%0.06161%0.612CS.*PPolyproline II helixtrans-49130179.1178.80000113F30 C35 Q37 C46 H49C28-F30 PolarHBondContact O-N 2.96Å; C28-C35 HydrophobicContact CB-CB 3.81Å; C28-Q37 WeakPolarHBondContact CB-O 3.44Å; C28-Q37 PolarHBondContact N-O 2.85Å; C28-C46 HydrophobicContact CB-CB 4Å; C28-C46 PolarHBondContact SG-N 2.84Å; C28-H49 PolarHBondContact SG-ND1 2.73Å; C28-H49 VanDerWaalsContact SG-ND1 3.42Å
29A85.1Confident72.5Confident36 Ų36107.8 Ų107.830%0.29858%0.582SS.*  trans-77.530.1-17900000114.2A27 T31 D44A27-A29 PolarHBondContact O-N 3.32Å; A29-T31 PolarHBondContact O-N 3.42Å; A29-D44 HydrophobicContact CB-CB 4.03Å; A29-D44 VanDerWaalsContact CB-O 3.27Å; A29-D44 WeakPolarHBondContact CB-O 3.5Å; A29-D44 PolarHBondContact N-O 3.44Å
30F83.8Confident74.6Confident28 Ų28103.7 Ų103.712%0.12356%0.555CS.*  trans-71.3122-178.6-177.5-130.7000110.5C28 Q32 R33 C35 H49 E52C28-F30 PolarHBondContact O-N 2.96Å; F30-Q32 HydrophobicContact CE1-CB 3.92Å; F30-Q32 HydrophobicContact CE2-CB 3.92Å; F30-Q32 HydrophobicContact CE2-CG 3.78Å; F30-Q32 HydrophobicContact CZ-CB 3.48Å; F30-Q32 VanDerWaalsContact CZ-CB 3.48Å; F30-Q32 HydrophobicContact CZ-CG 3.79Å; F30-R33 HydrophobicContact CD1-CB 4.24Å; F30-R33 WeakPolarHBondContact CD1-O 3.26Å; F30-R33 HydrophobicContact CE1-CB 4.06Å; F30-R33 VanDerWaalsContact O-O 3.14Å; F30-C35 HydrophobicContact CB-CB 4.16Å; F30-H49 AromaticContact CD1-CE1 3.56Å; F30-H49 AromaticContact CD1-NE2 3.73Å; F30-H49 AromaticContact CE1-NE2 3.9Å; F30-H49 AromaticContact CG-CE1 3.87Å; F30-H49 AromaticContact CG-ND1 3.83Å; F30-E52 WeakPolarHBondContact CD2-OE2 3.1Å; F30-E52 WeakPolarHBondContact CE2-OE1 2.91Å; F30-E52 WeakPolarHBondContact CE2-OE2 3.48Å
31T78.4Confident76.1Confident132 Ų132108.2 Ų108.281%0.8156%0.559SS**SBendtrans-88.4-23-169.354.40000113.9A29A29-T31 PolarHBondContact O-N 3.42Å
32Q80.4Confident77.7Confident158 Ų158101.3 Ų101.374%0.73856%0.559SS**SBendtrans-80.1-28.6-177.6-49-172.411.300112.6F30F30-Q32 HydrophobicContact CE1-CB 3.92Å; F30-Q32 HydrophobicContact CE2-CB 3.92Å; F30-Q32 HydrophobicContact CE2-CG 3.78Å; F30-Q32 HydrophobicContact CZ-CB 3.48Å; F30-Q32 VanDerWaalsContact CZ-CB 3.48Å; F30-Q32 HydrophobicContact CZ-CG 3.79Å
33R81.9Confident79.4Confident196 Ų19697.8 Ų97.874%0.7453%0.531SS*.SBendtrans-148.9139.5171.7-67.1-170.5177.8177.5-0.7110.2F30 C35F30-R33 HydrophobicContact CD1-CB 4.24Å; F30-R33 WeakPolarHBondContact CD1-O 3.26Å; F30-R33 HydrophobicContact CE1-CB 4.06Å; F30-R33 VanDerWaalsContact O-O 3.14Å; R33-C35 PolarHBondContact O-N 2.93Å; R33-C35 VanDerWaalsContact O-N 3.12Å
34P78.3Confident80.8Confident132 Ų13294.1 Ų94.186%0.85752%0.517SS*.  trans-62.2119.1177.225.9-33.1000110
35C85.9Confident82.2Confident21 Ų2187.7 Ų87.714%0.14249%0.486CS..  trans-107118.2178.8-176.80000109.7C28 F30 R33 Q37 H49C28-C35 HydrophobicContact CB-CB 3.81Å; F30-C35 HydrophobicContact CB-CB 4.16Å; R33-C35 PolarHBondContact O-N 2.93Å; R33-C35 VanDerWaalsContact O-N 3.12Å; C35-Q37 PolarHBondContact O-N 2.79Å; C35-H49 VanDerWaalsContact SG-CE1 3.51Å
36T85.4Confident83.6Confident131 Ų13182.7 Ų82.780%0.80445%0.454SS*.  trans-82.43179.853.80000113.8
37Q85.3Confident84Confident84 Ų8481.3 Ų81.339%0.39345%0.449SS..SBendtrans-72.6143.7179.5-67.4-69.2-29.100110.7C28 C35 C46C28-Q37 WeakPolarHBondContact CB-O 3.44Å; C28-Q37 PolarHBondContact N-O 2.85Å; C35-Q37 PolarHBondContact O-N 2.79Å; Q37-C46 HydrophobicContact CB-CB 3.58Å
38P86.8Confident84Confident69 Ų6985.7 Ų85.745%0.44846%0.458SS..BIsolated β-bridgetrans-63.2142.3176.927.9-34.4000110.3P25 C46P25-P38 HydrophobicContact CB-CB 4.16Å; P38-C46 WeakPolarHBondContact O-CA 3.39Å; P38-C46 WeakPolarHBondContact O-CB 3.27Å
39R88.2Confident83.9Confident75 Ų7587.1 Ų87.128%0.28346%0.464SS..PPolyproline II helixtrans-60.5147.6168.6-75.7177.4-166.8-164.411.6110.8Q26 A27 F43 D44Q26-R39 WeakPolarHBondContact O-CB 3.41Å; Q26-R39 VanDerWaalsContact O-CG 3.27Å; Q26-R39 WeakPolarHBondContact O-CG 3.33Å; Q26-R39 PolarHBondContact O-N 3.41Å; A27-R39 PolarHBondContact O-NE 2.82Å; A27-R39 PolarHBondContact O-NH2 3.09Å; A27-R39 VanDerWaalsContact O-NH2 3.09Å; R39-F43 WeakPolarHBondContact CB-O 3.08Å; R39-D44 WeakPolarHBondContact CG-O 3.44Å; R39-D44 IonicContact CZ-OD1 3.65Å; R39-D44 PolarHBondContact NE-O 3.42Å; R39-D44 IonicContact NH1-OD1 3.51Å; R39-D44 PolarHBondContact NH1-OD1 3.5Å
40L82.7Confident84.1Confident45 Ų4585.5 Ų85.524%0.23645%0.45CS..PPolyproline II helixtrans-73.3145.2168.1-71.8173000109.7G42 F43 F45 I47 I50L40-G42 PolarHBondContact O-N 2.75Å; L40-G42 VanDerWaalsContact O-N 3.11Å; L40-F43 HydrophobicContact CB-CB 4.34Å; L40-F43 HydrophobicContact CB-CD2 4.14Å; L40-F43 PolarHBondContact O-N 3.43Å; L40-F43 VanDerWaalsContact O-O 3.12Å; L40-F45 PolarHBondContact N-O 2.9Å; L40-I47 HydrophobicContact CD1-CB 3.94Å; L40-I47 HydrophobicContact CD1-CD1 3.84Å; L40-I47 HydrophobicContact CD1-CG1 4.49Å; L40-I47 HydrophobicContact CD2-CB 4.31Å; L40-I47 HydrophobicContact CG-CB 4.43Å; L40-I50 HydrophobicContact CB-CD1 4.37Å; L40-I50 HydrophobicContact CD1-CB 4.17Å; L40-I50 HydrophobicContact CD1-CD1 3.29Å; L40-I50 HydrophobicContact CD1-CG1 4.31Å; L40-I50 HydrophobicContact CD1-CG2 4.38Å; L40-I50 HydrophobicContact CG-CD1 4.43Å
41E80.9Confident84.2Confident192 Ų19287.7 Ų87.790%0.89746%0.463SS*.THydrogen-bonded Turntrans-55.3119-178.7-68.3179.4-178.900110.5F43E41-F43 WeakPolarHBondContact O-CD2 3.01Å
42G79.3Confident84.5Confident83 Ų8385.5 Ų85.586%0.85644%0.444SS*.THydrogen-bonded Turntrans83.93.4-177.900000116.3L40L40-G42 PolarHBondContact O-N 2.75Å; L40-G42 VanDerWaalsContact O-N 3.11Å
43F83.1Confident84.6Confident51 Ų5179.7 Ų79.722%0.22442%0.417CS..SBendtrans-127.8153.9179.1-60.6-77.2000112.5R39 L40 E41 F45 I50 A56 P57 Y58R39-F43 WeakPolarHBondContact CB-O 3.08Å; L40-F43 HydrophobicContact CB-CB 4.34Å; L40-F43 HydrophobicContact CB-CD2 4.14Å; L40-F43 PolarHBondContact O-N 3.43Å; L40-F43 VanDerWaalsContact O-O 3.12Å; E41-F43 WeakPolarHBondContact O-CD2 3.01Å; F43-F45 VanDerWaalsContact C-N 3.27Å; F43-F45 PolarHBondContact O-N 2.78Å; F43-I50 HydrophobicContact CB-CD1 4.27Å; F43-I50 HydrophobicContact CD1-CD1 4.37Å; F43-I50 HydrophobicContact CD2-CD1 3.89Å; F43-I50 HydrophobicContact CE2-CD1 4.4Å; F43-I50 HydrophobicContact CG-CD1 3.89Å; F43-A56 HydrophobicContact CD1-CB 3.98Å; F43-A56 HydrophobicContact CE1-CB 3.87Å; F43-P57 HydrophobicContact CZ-CG 3.89Å; F43-Y58 HydrophobicContact CE2-CE2 4.41Å
44D85Confident84.4Confident90 Ų9079.7 Ų79.748%0.48142%0.423SS..SBendtrans-82.1-4.3178.7-72.3-42.5000114.2A29 R39A29-D44 HydrophobicContact CB-CB 4.03Å; A29-D44 VanDerWaalsContact CB-O 3.27Å; A29-D44 WeakPolarHBondContact CB-O 3.5Å; A29-D44 PolarHBondContact N-O 3.44Å; R39-D44 WeakPolarHBondContact CG-O 3.44Å; R39-D44 IonicContact CZ-OD1 3.65Å; R39-D44 PolarHBondContact NE-O 3.42Å; R39-D44 IonicContact NH1-OD1 3.51Å; R39-D44 PolarHBondContact NH1-OD1 3.5Å
45F87.2Confident84.3Confident39 Ų3980.4 Ų80.417%0.17142%0.419CS..SBendtrans-122.4154.4-173.7-57.6-86.7000112.3L40 F43 H49 D53L40-F45 PolarHBondContact N-O 2.9Å; F43-F45 VanDerWaalsContact C-N 3.27Å; F43-F45 PolarHBondContact O-N 2.78Å; F45-H49 HydrophobicContact CB-CB 4.21Å; F45-H49 HydrophobicContact CD1-CB 4.12Å; F45-D53 HydrophobicContact CD2-CB 3.72Å; F45-D53 HydrophobicContact CE2-CB 3.86Å
46C88.4Confident84.1Confident3 Ų379.5 Ų79.52%0.0241%0.413CS..  trans-79.6169.4171.370.60000111.4C28 Q37 P38 K48 H49 I50C28-C46 HydrophobicContact CB-CB 4Å; C28-C46 PolarHBondContact SG-N 2.84Å; Q37-C46 HydrophobicContact CB-CB 3.58Å; P38-C46 WeakPolarHBondContact O-CA 3.39Å; P38-C46 WeakPolarHBondContact O-CB 3.27Å; C46-K48 PolarHBondContact O-N 3.13Å; C46-H49 CarbonylContact O-C 3.6Å; C46-H49 PolarHBondContact O-N 2.86Å; C46-I50 WeakPolarHBondContact O-CB 3.43Å; C46-I50 PolarHBondContact O-N 3.03Å
47I85.4Confident84Confident80 Ų8076.1 Ų76.141%0.4139%0.393SS..THydrogen-bonded Turntrans-56.1-22.5-179.8-167.961.3000114.8L40 I50 Y58 A75L40-I47 HydrophobicContact CD1-CB 3.94Å; L40-I47 HydrophobicContact CD1-CD1 3.84Å; L40-I47 HydrophobicContact CD1-CG1 4.49Å; L40-I47 HydrophobicContact CD2-CB 4.31Å; L40-I47 HydrophobicContact CG-CB 4.43Å; I47-I50 HydrophobicContact CD1-CG2 4.35Å; I47-I50 WeakPolarHBondContact O-CG2 3.25Å; I47-Y58 HydrophobicContact CD1-CD1 4.33Å; I47-Y58 HydrophobicContact CD1-CE1 3.8Å; I47-A75 HydrophobicContact CD1-CB 4.23Å
48K84.6Confident84.1Confident146 Ų14674.6 Ų74.664%0.63539%0.385SS*.THydrogen-bonded Turntrans-81.6-33.3176.6-64.5-177.1179.7179.50112.8C46C46-K48 PolarHBondContact O-N 3.13Å
49H86.8Confident84.1Confident39 Ų3977 Ų7718%0.18139%0.388CS..THydrogen-bonded Turntrans-105.8-1.9-176.6-58.8135.4000113.2C28 F30 C35 F45 C46 L51 E52C28-H49 PolarHBondContact SG-ND1 2.73Å; C28-H49 VanDerWaalsContact SG-ND1 3.42Å; F30-H49 AromaticContact CD1-CE1 3.56Å; F30-H49 AromaticContact CD1-NE2 3.73Å; F30-H49 AromaticContact CE1-NE2 3.9Å; F30-H49 AromaticContact CG-CE1 3.87Å; F30-H49 AromaticContact CG-ND1 3.83Å; C35-H49 VanDerWaalsContact SG-CE1 3.51Å; F45-H49 HydrophobicContact CB-CB 4.21Å; F45-H49 HydrophobicContact CD1-CB 4.12Å; C46-H49 CarbonylContact O-C 3.6Å; C46-H49 PolarHBondContact O-N 2.86Å; H49-L51 PolarHBondContact O-N 2.74Å; H49-E52 WeakPolarHBondContact O-CB 3.43Å; H49-E52 WeakPolarHBondContact O-CG 3.32Å; H49-E52 PolarHBondContact O-N 2.83Å
50I87.8Confident84.1Confident1 Ų178.3 Ų78.31%0.00540%0.397CS..G310 helixtrans-61.4-16.8179.7-166.3153.6000114L40 F43 C46 I47 E52 D53 A56 Y58 A75L40-I50 HydrophobicContact CB-CD1 4.37Å; L40-I50 HydrophobicContact CD1-CB 4.17Å; L40-I50 HydrophobicContact CD1-CD1 3.29Å; L40-I50 HydrophobicContact CD1-CG1 4.31Å; L40-I50 HydrophobicContact CD1-CG2 4.38Å; L40-I50 HydrophobicContact CG-CD1 4.43Å; F43-I50 HydrophobicContact CB-CD1 4.27Å; F43-I50 HydrophobicContact CD1-CD1 4.37Å; F43-I50 HydrophobicContact CD2-CD1 3.89Å; F43-I50 HydrophobicContact CE2-CD1 4.4Å; F43-I50 HydrophobicContact CG-CD1 3.89Å; C46-I50 WeakPolarHBondContact O-CB 3.43Å; C46-I50 PolarHBondContact O-N 3.03Å; I47-I50 HydrophobicContact CD1-CG2 4.35Å; I47-I50 WeakPolarHBondContact O-CG2 3.25Å; I50-E52 PolarHBondContact O-N 2.95Å; I50-D53 PolarHBondContact O-N 2.97Å; I50-A56 HydrophobicContact CD1-CB 4.1Å; I50-A56 HydrophobicContact CG1-CB 3.59Å; I50-Y58 HydrophobicContact CD1-CD2 3.3Å; I50-Y58 HydrophobicContact CD1-CE2 3.36Å; I50-Y58 HydrophobicContact CD1-CG 4Å; I50-Y58 HydrophobicContact CG1-CD2 3.78Å; I50-Y58 HydrophobicContact CG1-CE2 4.32Å; I50-Y58 HydrophobicContact CG1-CG 4.11Å; I50-Y58 HydrophobicContact CG2-CD1 4.17Å; I50-Y58 HydrophobicContact CG2-CD2 4.45Å; I50-Y58 HydrophobicContact CG2-CG 3.99Å; I50-A75 HydrophobicContact CG2-CB 3.52Å
51L86.7Confident84.5Confident75 Ų7576.2 Ų76.239%0.39339%0.386SS..G310 helixtrans-72.3-13.5173.7-63.5178.4000113.3H49 A75H49-L51 PolarHBondContact O-N 2.74Å; L51-A75 HydrophobicContact CD1-CB 4.4Å; L51-A75 HydrophobicContact CD2-CB 3.82Å; L51-A75 HydrophobicContact CG-CB 3.93Å
52E83.5Confident84.9Confident86 Ų8668.4 Ų68.440%0.40235%0.353SS..G310 helixtrans-81.3-23.1175.2-60.3-176.5-175.900112.4F30 H49 I50 K54F30-E52 WeakPolarHBondContact CD2-OE2 3.1Å; F30-E52 WeakPolarHBondContact CE2-OE1 2.91Å; F30-E52 WeakPolarHBondContact CE2-OE2 3.48Å; H49-E52 WeakPolarHBondContact O-CB 3.43Å; H49-E52 WeakPolarHBondContact O-CG 3.32Å; H49-E52 PolarHBondContact O-N 2.83Å; I50-E52 PolarHBondContact O-N 2.95Å; E52-K54 PolarHBondContact O-N 3Å
53D83.6Confident85.3Confident35 Ų3568.3 Ų68.319%0.18733%0.327CS..  trans-80110.6174-173.1-6.9000110.4F45 I50 N55 A56F45-D53 HydrophobicContact CD2-CB 3.72Å; F45-D53 HydrophobicContact CE2-CB 3.86Å; I50-D53 PolarHBondContact O-N 2.97Å; D53-N55 PolarHBondContact O-N 3.35Å; D53-N55 WeakPolarHBondContact OD1-CB 3.47Å; D53-N55 PolarHBondContact OD1-N 3.11Å; D53-A56 HydrophobicContact CB-CB 3.8Å; D53-A56 PolarHBondContact O-N 3.42Å; D53-A56 PolarHBondContact OD1-N 3.12Å
54K77.1Confident85.7Confident197 Ų19769.3 Ų69.386%0.85734%0.337SS*.THydrogen-bonded Turntrans-66.3-25.5178.4-63.6-178.1-178.8179.10112.6E52E52-K54 PolarHBondContact O-N 3Å
55N77.6Confident85.7Confident147 Ų14766.6 Ų66.679%0.78633%0.325SS*.THydrogen-bonded Turntrans-88.4-10.5-179.3-66-10.4000112.1D53D53-N55 PolarHBondContact O-N 3.35Å; D53-N55 WeakPolarHBondContact OD1-CB 3.47Å; D53-N55 PolarHBondContact OD1-N 3.11Å
56A81.3Confident85.6Confident1 Ų169.7 Ų69.71%0.00836%0.358CS..SBendtrans-70.6140178.900000112F43 I50 D53 Y58 K78F43-A56 HydrophobicContact CD1-CB 3.98Å; F43-A56 HydrophobicContact CE1-CB 3.87Å; I50-A56 HydrophobicContact CD1-CB 4.1Å; I50-A56 HydrophobicContact CG1-CB 3.59Å; D53-A56 HydrophobicContact CB-CB 3.8Å; D53-A56 PolarHBondContact O-N 3.42Å; D53-A56 PolarHBondContact OD1-N 3.12Å; A56-Y58 HydrophobicContact CB-CD2 4.28Å; A56-Y58 PolarHBondContact O-N 3Å; A56-K78 PolarHBondContact O-NZ 3.06Å
57P83.1Confident85.2Confident60 Ų6078.7 Ų78.739%0.3940%0.397SS..SBendtrans-784717535.1-35.9000110.8F43 P77 K78F43-P57 HydrophobicContact CZ-CG 3.89Å; P57-P77 CarbonylContact O-C 3.54Å; P57-K78 HydrophobicContact CB-CB 4.41Å; P57-K78 WeakPolarHBondContact O-CB 3.38Å; P57-K78 PolarHBondContact O-N 2.9Å
58Y86.5Confident85Confident53 Ų5380.5 Ų80.521%0.20841%0.407CS..EExtended strand (participates in β ladder)trans-126145.3179.1-74.3-98.1000111F43 I47 I50 A56 A75 A76 P77 K78F43-Y58 HydrophobicContact CE2-CE2 4.41Å; I47-Y58 HydrophobicContact CD1-CD1 4.33Å; I47-Y58 HydrophobicContact CD1-CE1 3.8Å; I50-Y58 HydrophobicContact CD1-CD2 3.3Å; I50-Y58 HydrophobicContact CD1-CE2 3.36Å; I50-Y58 HydrophobicContact CD1-CG 4Å; I50-Y58 HydrophobicContact CG1-CD2 3.78Å; I50-Y58 HydrophobicContact CG1-CE2 4.32Å; I50-Y58 HydrophobicContact CG1-CG 4.11Å; I50-Y58 HydrophobicContact CG2-CD1 4.17Å; I50-Y58 HydrophobicContact CG2-CD2 4.45Å; I50-Y58 HydrophobicContact CG2-CG 3.99Å; A56-Y58 HydrophobicContact CB-CD2 4.28Å; A56-Y58 PolarHBondContact O-N 3Å; Y58-A75 HydrophobicContact CD1-CB 3.88Å; Y58-A75 HydrophobicContact CG-CB 4.48Å; Y58-A76 CarbonylContact C-O 3.56Å; Y58-A76 WeakPolarHBondContact CA-O 3.34Å; Y58-P77 HydrophobicContact CD1-CG 4.44Å; Y58-P77 HydrophobicContact CE1-CB 4.34Å; Y58-P77 HydrophobicContact CE1-CG 3.87Å; Y58-K78 VanDerWaalsContact O-CE 3.26Å; Y58-K78 WeakPolarHBondContact O-CE 3.2Å
59K88Confident85Confident120 Ų12076.4 Ų76.452%0.52241%0.406SS..EExtended strand (participates in β ladder)trans-132.6166.1172.7-71.1-177.4-179.5-179.10109.5A75 A76 K78K59-A75 CarbonylContact O-C 3.58Å; K59-A76 PolarHBondContact N-O 3.4Å; K59-A76 PolarHBondContact O-N 2.93Å; K59-K78 HydrophobicContact CD-CD 4.37Å; K59-K78 HydrophobicContact CD-CG 4.03Å; K59-K78 HydrophobicContact CG-CD 4.1Å; K59-K78 VanDerWaalsContact CG-CE 3.44Å; K59-K78 HydrophobicContact CG-CG 3.74Å
60H88.3Confident85Confident102 Ų10282.2 Ų82.247%0.47243%0.431SS..EExtended strand (participates in β ladder)trans-59.7144.6172.760.851.2000111S62H60-S62 PolarHBondContact O-N 3Å
61C90.9Very high85Confident0 Ų089.3 Ų89.30%046%0.458CS..  trans-60.1133.9174.3179.90000111Y63 C72 N74 A76 C88C61-Y63 PolarHBondContact O-N 2.87Å; C61-Y63 VanDerWaalsContact SG-CB 3.57Å; C61-Y63 PolarHBondContact SG-N 3.41Å; C61-C72 HydrophobicContact CB-CB 3.76Å; C61-N74 WeakPolarHBondContact CB-O 3.5Å; C61-N74 PolarHBondContact N-O 3.37Å; C61-A76 HydrophobicContact CB-CB 4.46Å; C61-C88 HydrophobicContact CB-CB 4.08Å; C61-C88 PolarHBondContact SG-N 3.47Å
62S89.8Confident85.1Confident29 Ų2986.3 Ų86.320%0.20344%0.443CS..  trans-80-2.2-179.1-57.70000113.8H60 T86H60-S62 PolarHBondContact O-N 3Å; S62-T86 WeakPolarHBondContact CB-O 3.27Å; S62-T86 PolarHBondContact N-O 2.96Å; S62-T86 PolarHBondContact OG-N 2.81Å; S62-T86 PolarHBondContact OG-O 3.06Å
63Y87.7Confident85.2Confident81 Ų8187.5 Ų87.532%0.31846%0.458SS..  trans-71.3132.4179.2-179.6-95.4000112.1C61 R71 C72 H91C61-Y63 PolarHBondContact O-N 2.87Å; C61-Y63 VanDerWaalsContact SG-CB 3.57Å; C61-Y63 PolarHBondContact SG-N 3.41Å; Y63-R71 CarbonylContact O-C 3.55Å; Y63-R71 WeakPolarHBondContact O-CA 3.49Å; Y63-C72 HydrophobicContact CD1-CB 4.42Å; Y63-C72 PolarHBondContact O-N 3.16Å; Y63-H91 AromaticContact CD1-CD2 3.26Å; Y63-H91 WeakPolarHBondContact CD1-CD2 3.43Å; Y63-H91 AromaticContact CD1-CE1 3.5Å; Y63-H91 AromaticContact CD1-CG 3.94Å; Y63-H91 AromaticContact CD1-NE2 2.99Å; Y63-H91 WeakPolarHBondContact CD1-NE2 3.45Å; Y63-H91 HydrophobicContact CD2-CB 4.49Å; Y63-H91 AromaticContact CD2-CD2 3.46Å; Y63-H91 VanDerWaalsContact CD2-CD2 3.46Å; Y63-H91 WeakPolarHBondContact CD2-CD2 3.47Å; Y63-H91 AromaticContact CE1-CD2 3.57Å; Y63-H91 AromaticContact CE1-NE2 3.19Å; Y63-H91 WeakPolarHBondContact CE1-NE2 3.19Å; Y63-H91 AromaticContact CE2-CD2 3.78Å; Y63-H91 HydrophobicContact CG-CB 4.32Å; Y63-H91 AromaticContact CG-CD2 3.17Å; Y63-H91 AromaticContact CG-CE1 3.93Å; Y63-H91 AromaticContact CG-CG 3.59Å; Y63-H91 AromaticContact CG-NE2 3.48Å; Y63-H91 AromaticContact CZ-CD2 3.82Å; Y63-H91 AromaticContact CZ-NE2 3.87Å
64V89.6Confident85.5Confident71 Ų7189 Ų8943%0.4347%0.466SS..BIsolated β-bridgetrans-108.9125.9172.5-178.60000108.7A66 G69 R71V64-A66 PolarHBondContact O-N 2.91Å; V64-G69 WeakPolarHBondContact CG1-O 3.21Å; V64-R71 HydrophobicContact CG2-CG 3.93Å
65S86.8Confident86Confident34 Ų3479.9 Ų79.924%0.23843%0.428CS..  trans-70.1125.3178177.80000110.9K67 N68 G69 K70S65-K67 PolarHBondContact O-N 3.4Å; S65-K67 PolarHBondContact OG-N 3.41Å; S65-N68 PolarHBondContact O-N 3.48Å; S65-G69 WeakPolarHBondContact O-CA 3.26Å; S65-G69 PolarHBondContact O-N 3.24Å; S65-K70 PolarHBondContact N-O 2.86Å
66A84.1Confident86.6Confident103 Ų10372.9 Ų72.985%0.85139%0.39SS*.THydrogen-bonded Turntrans-62.4-24.4174.900000113.1V64V64-A66 PolarHBondContact O-N 2.91Å
67K81.1Confident86.7Confident193 Ų19376.2 Ų76.284%0.83941%0.412SS*.THydrogen-bonded Turntrans-82-35.7-178.6-61.7-173.3178.3-173.10112.9S65S65-K67 PolarHBondContact O-N 3.4Å; S65-K67 PolarHBondContact OG-N 3.41Å
68N80.8Confident86.5Confident118 Ų11877.6 Ų77.663%0.63141%0.412SS*.THydrogen-bonded Turntrans-124.2-3.9-167.5-63.513.3000113.3S65 K70S65-N68 PolarHBondContact O-N 3.48Å; N68-K70 PolarHBondContact O-N 3.36Å
69G84.1Confident85.6Confident59 Ų5978 Ų7861%0.60843%0.425SS*.  trans63.4-4.2-177.800000115.6V64 S65V64-G69 WeakPolarHBondContact CG1-O 3.21Å; S65-G69 WeakPolarHBondContact O-CA 3.26Å; S65-G69 PolarHBondContact O-N 3.24Å
70K86.9Confident84.4Confident162 Ų16280.7 Ų80.770%0.70445%0.446SS*.PPolyproline II helixtrans-84.8142.4-177.1-67.3179.4-175.8-174.90111.3S65 N68S65-K70 PolarHBondContact N-O 2.86Å; N68-K70 PolarHBondContact O-N 3.36Å
71R87.8Confident83.1Confident150 Ų15085.4 Ų85.457%0.56646%0.459SS*.BIsolated β-bridgetrans-67.7145.4171-75.5-177.6-176.8-122.50.9110.6Y63 V64Y63-R71 CarbonylContact O-C 3.55Å; Y63-R71 WeakPolarHBondContact O-CA 3.49Å; V64-R71 HydrophobicContact CG2-CG 3.93Å
72C88.7Confident81.5Confident12 Ų1295.5 Ų95.58%0.08150%0.503CS..PPolyproline II helixtrans-65.7129.2176.7175.80000110.5C61 Y63 N74 H91C61-C72 HydrophobicContact CB-CB 3.76Å; Y63-C72 HydrophobicContact CD1-CB 4.42Å; Y63-C72 PolarHBondContact O-N 3.16Å; C72-N74 PolarHBondContact O-N 3.31Å; C72-H91 PolarHBondContact SG-CE1 3.23Å
73P85.9Confident80.1Confident111 Ų111100.6 Ų100.672%0.72153%0.528SS*.  trans-76-7.3-178.431.4-36.5000113.8
74N88.6Confident79Confident65 Ų6599.6 Ų99.635%0.34854%0.542SS..SBendtrans-75148.6-175.5-67.9-32.4000112.1C61 C72 C88C61-N74 WeakPolarHBondContact CB-O 3.5Å; C61-N74 PolarHBondContact N-O 3.37Å; C72-N74 PolarHBondContact O-N 3.31Å; N74-C88 HydrophobicContact CB-CB 3.74Å
75A89.6Confident78.3Confident7 Ų7100.6 Ų100.66%0.05855%0.548CS..EExtended strand (participates in β ladder)trans-70.8141.8173.200000111.8I47 I50 L51 Y58 K59 C88I47-A75 HydrophobicContact CD1-CB 4.23Å; I50-A75 HydrophobicContact CG2-CB 3.52Å; L51-A75 HydrophobicContact CD1-CB 4.4Å; L51-A75 HydrophobicContact CD2-CB 3.82Å; L51-A75 HydrophobicContact CG-CB 3.93Å; Y58-A75 HydrophobicContact CD1-CB 3.88Å; Y58-A75 HydrophobicContact CG-CB 4.48Å; K59-A75 CarbonylContact O-C 3.58Å; A75-C88 VanDerWaalsContact O-CB 3.26Å; A75-C88 WeakPolarHBondContact O-CB 3.2Å
76A88.2Confident78.3Confident0 Ų099.8 Ų99.80%054%0.542CS..EExtended strand (participates in β ladder)trans-123134.1175.700000109.1Y58 K59 C61 F87Y58-A76 CarbonylContact C-O 3.56Å; Y58-A76 WeakPolarHBondContact CA-O 3.34Å; K59-A76 PolarHBondContact N-O 3.4Å; K59-A76 PolarHBondContact O-N 2.93Å; C61-A76 HydrophobicContact CB-CB 4.46Å; A76-F87 VanDerWaalsContact CB-C 3.46Å
77P85.3Confident78.5Confident70 Ų7097.7 Ų97.746%0.45551%0.514SS..EExtended strand (participates in β ladder)trans-60.7136.8175.4-20.631.4000111.1P57 Y58 A79 T86P57-P77 CarbonylContact O-C 3.54Å; Y58-P77 HydrophobicContact CD1-CG 4.44Å; Y58-P77 HydrophobicContact CE1-CB 4.34Å; Y58-P77 HydrophobicContact CE1-CG 3.87Å; P77-A79 PolarHBondContact O-N 2.87Å; P77-A79 VanDerWaalsContact O-N 3.13Å; P77-T86 WeakPolarHBondContact O-CB 3.35Å; P77-T86 VanDerWaalsContact O-CG2 3.25Å; P77-T86 WeakPolarHBondContact O-CG2 2.99Å
78K78.6Confident78.9Confident90 Ų9088.7 Ų88.739%0.39148%0.475SS..  trans-69.7103.4169.9-70.2179.1-165.51560107.5A56 P57 Y58 K59A56-K78 PolarHBondContact O-NZ 3.06Å; P57-K78 HydrophobicContact CB-CB 4.41Å; P57-K78 WeakPolarHBondContact O-CB 3.38Å; P57-K78 PolarHBondContact O-N 2.9Å; Y58-K78 VanDerWaalsContact O-CE 3.26Å; Y58-K78 WeakPolarHBondContact O-CE 3.2Å; K59-K78 HydrophobicContact CD-CD 4.37Å; K59-K78 HydrophobicContact CD-CG 4.03Å; K59-K78 HydrophobicContact CG-CD 4.1Å; K59-K78 VanDerWaalsContact CG-CE 3.44Å; K59-K78 HydrophobicContact CG-CG 3.74Å
79A67.4Low79.3Confident60 Ų6086.5 Ų86.550%0.49647%0.474SS..  trans-76.2137.8164.600000108.5P77 R81 T86P77-A79 PolarHBondContact O-N 2.87Å; P77-A79 VanDerWaalsContact O-N 3.13Å; A79-R81 HydrophobicContact CB-CB 4.32Å; A79-R81 HydrophobicContact CB-CG 4.15Å; A79-R81 PolarHBondContact O-N 3.13Å; A79-T86 HydrophobicContact CB-CG2 4.49Å
80D62.9Low79.6Confident177 Ų17787.9 Ų87.995%0.94747%0.465SS*.SBendtrans-73.234.3175.1-158.210.4000112.1
81R59.5Low79.8Confident202 Ų20280.8 Ų80.876%0.76243%0.434SS*.  trans-101.6129.5-177.5-67.2-88.4172.5156.8-5.6107.3A79 D83 G84A79-R81 HydrophobicContact CB-CB 4.32Å; A79-R81 HydrophobicContact CB-CG 4.15Å; A79-R81 PolarHBondContact O-N 3.13Å; R81-D83 PolarHBondContact O-N 3.49Å; R81-G84 PolarHBondContact O-N 3.35Å
82K58Low79.9Confident211 Ų21175.7 Ų75.792%0.91742%0.424SS*.THydrogen-bonded Turntrans-55.3-12-174.4-162.7177.9177-169.80114.9
83D59.6Low79.9Confident136 Ų13683.1 Ų83.173%0.72745%0.45SS*.THydrogen-bonded Turntrans-95.71.6-170.7-55.7-48.6000115.8R81 V85R81-D83 PolarHBondContact O-N 3.49Å; D83-V85 PolarHBondContact O-N 3.31Å
84G64.8Low80.1Confident60 Ų6083.7 Ų83.762%0.61944%0.438SS*.  trans65.1-6.2162.800000118.4R81R81-G84 PolarHBondContact O-N 3.35Å
85V76.6Confident80Confident92 Ų9283.4 Ų83.456%0.55844%0.436SS*.  trans-97.9103.4-179.1-1760000110.5D83 F87D83-V85 PolarHBondContact O-N 3.31Å; V85-F87 HydrophobicContact CG1-CE1 4.13Å; V85-F87 HydrophobicContact CG1-CE2 3.78Å; V85-F87 HydrophobicContact CG1-CZ 3.52Å
86T85.3Confident79.9Confident18 Ų1885.2 Ų85.211%0.1145%0.451CS..  trans-113.1134.8177.856.40000111.1S62 P77 A79S62-T86 WeakPolarHBondContact CB-O 3.27Å; S62-T86 PolarHBondContact N-O 2.96Å; S62-T86 PolarHBondContact OG-N 2.81Å; S62-T86 PolarHBondContact OG-O 3.06Å; P77-T86 WeakPolarHBondContact O-CB 3.35Å; P77-T86 VanDerWaalsContact O-CG2 3.25Å; P77-T86 WeakPolarHBondContact O-CG2 2.99Å; A79-T86 HydrophobicContact CB-CG2 4.49Å
87F89.2Confident79.8Confident58 Ų5891.2 Ų91.225%0.25448%0.481SS..  trans-109.3146.4178.4-61.5-69.4000111A76 V85 H91 A92 N95A76-F87 VanDerWaalsContact CB-C 3.46Å; V85-F87 HydrophobicContact CG1-CE1 4.13Å; V85-F87 HydrophobicContact CG1-CE2 3.78Å; V85-F87 HydrophobicContact CG1-CZ 3.52Å; F87-H91 HydrophobicContact CB-CB 3.93Å; F87-H91 HydrophobicContact CD1-CB 4.14Å; F87-H91 HydrophobicContact CG-CB 4.36Å; F87-A92 HydrophobicContact CB-CB 4.16Å; F87-N95 WeakPolarHBondContact CE2-ND2 3.22Å
88C90.3Very high79.9Confident4 Ų490.2 Ų90.23%0.02748%0.478CS..  trans-67.2162.9168.972.80000110.4C61 N74 A75 E90 H91 A92C61-C88 HydrophobicContact CB-CB 4.08Å; C61-C88 PolarHBondContact SG-N 3.47Å; N74-C88 HydrophobicContact CB-CB 3.74Å; A75-C88 VanDerWaalsContact O-CB 3.26Å; A75-C88 WeakPolarHBondContact O-CB 3.2Å; C88-E90 PolarHBondContact O-N 3.03Å; C88-H91 PolarHBondContact O-N 2.83Å; C88-H91 PolarHBondContact SG-ND1 3.38Å; C88-A92 WeakPolarHBondContact O-CB 3.26Å; C88-A92 PolarHBondContact O-N 3.37Å
89A88.6Confident80.1Confident73 Ų7390.1 Ų90.160%0.60348%0.482SS*.Hα-helixtrans-52.1-34.4-174.900000114.3R93A89-R93 WeakPolarHBondContact O-CB 3.43Å; A89-R93 VanDerWaalsContact O-CG 3.29Å; A89-R93 WeakPolarHBondContact O-CG 3.29Å; A89-R93 PolarHBondContact O-N 3.37Å; A89-R93 VanDerWaalsContact O-N 3.17Å; A89-R93 PolarHBondContact O-NE 3.17Å
90E89.9Confident80.8Confident88 Ų8895.2 Ų95.241%0.41149%0.488SS..Hα-helixtrans-70.7-45.9175.8-62.6-178.1171.400113C88 R93 R94C88-E90 PolarHBondContact O-N 3.03Å; E90-R93 PolarHBondContact O-N 3.26Å; E90-R94 PolarHBondContact O-N 3.41Å; E90-R94 IonicContact OE2-NH2 3.81Å; E90-R94 PolarHBondContact OE2-NH2 2.91Å
91H90.8Very high81.6Confident13 Ų1389.6 Ų89.66%0.0647%0.466CS..Hα-helixtrans-74.2-30.6-179.7-70.6112.5000112Y63 C72 F87 C88 R94 N95Y63-H91 AromaticContact CD1-CD2 3.26Å; Y63-H91 WeakPolarHBondContact CD1-CD2 3.43Å; Y63-H91 AromaticContact CD1-CE1 3.5Å; Y63-H91 AromaticContact CD1-CG 3.94Å; Y63-H91 AromaticContact CD1-NE2 2.99Å; Y63-H91 WeakPolarHBondContact CD1-NE2 3.45Å; Y63-H91 HydrophobicContact CD2-CB 4.49Å; Y63-H91 AromaticContact CD2-CD2 3.46Å; Y63-H91 VanDerWaalsContact CD2-CD2 3.46Å; Y63-H91 WeakPolarHBondContact CD2-CD2 3.47Å; Y63-H91 AromaticContact CE1-CD2 3.57Å; Y63-H91 AromaticContact CE1-NE2 3.19Å; Y63-H91 WeakPolarHBondContact CE1-NE2 3.19Å; Y63-H91 AromaticContact CE2-CD2 3.78Å; Y63-H91 HydrophobicContact CG-CB 4.32Å; Y63-H91 AromaticContact CG-CD2 3.17Å; Y63-H91 AromaticContact CG-CE1 3.93Å; Y63-H91 AromaticContact CG-CG 3.59Å; Y63-H91 AromaticContact CG-NE2 3.48Å; Y63-H91 AromaticContact CZ-CD2 3.82Å; Y63-H91 AromaticContact CZ-NE2 3.87Å; C72-H91 PolarHBondContact SG-CE1 3.23Å; F87-H91 HydrophobicContact CB-CB 3.93Å; F87-H91 HydrophobicContact CD1-CB 4.14Å; F87-H91 HydrophobicContact CG-CB 4.36Å; C88-H91 PolarHBondContact O-N 2.83Å; C88-H91 PolarHBondContact SG-ND1 3.38Å; H91-R94 PolarHBondContact CD2-NH1 3.08Å; H91-R94 PolarHBondContact NE2-NH1 3.31Å; H91-R94 PolarHBondContact O-N 2.78Å; H91-N95 WeakPolarHBondContact O-CB 3.45Å; H91-N95 PolarHBondContact O-N 3.43Å
92A90.5Very high82.5Confident43 Ų4385.6 Ų85.636%0.35546%0.456SS..Hα-helixtrans-62.8-45.1170.300000110.8F87 C88 N95 A96F87-A92 HydrophobicContact CB-CB 4.16Å; C88-A92 WeakPolarHBondContact O-CB 3.26Å; C88-A92 PolarHBondContact O-N 3.37Å; A92-N95 PolarHBondContact O-N 3.44Å; A92-A96 WeakPolarHBondContact O-CB 3.46Å; A92-A96 PolarHBondContact O-N 3.43Å
93R89.3Confident83.1Confident168 Ų16881.7 Ų81.763%0.63444%0.443SS*.Hα-helixtrans-62.5-45.2174.1-76.3-174.5-64.1178.22.6112.3A89 E90 A96 M97A89-R93 WeakPolarHBondContact O-CB 3.43Å; A89-R93 VanDerWaalsContact O-CG 3.29Å; A89-R93 WeakPolarHBondContact O-CG 3.29Å; A89-R93 PolarHBondContact O-N 3.37Å; A89-R93 VanDerWaalsContact O-N 3.17Å; A89-R93 PolarHBondContact O-NE 3.17Å; E90-R93 PolarHBondContact O-N 3.26Å; R93-A96 PolarHBondContact O-N 2.96Å; R93-M97 VanDerWaalsContact O-CG 3.31Å; R93-M97 WeakPolarHBondContact O-CG 3.44Å; R93-M97 PolarHBondContact O-N 3.39Å
94R88.6Confident83.4Confident122 Ų12284.8 Ų84.846%0.4644%0.444SS..Hα-helixtrans-64.5-40.8177.3-75.9-170.8-126.7118.310.8112.6E90 H91 M97 A98E90-R94 PolarHBondContact O-N 3.41Å; E90-R94 IonicContact OE2-NH2 3.81Å; E90-R94 PolarHBondContact OE2-NH2 2.91Å; H91-R94 PolarHBondContact CD2-NH1 3.08Å; H91-R94 PolarHBondContact NE2-NH1 3.31Å; H91-R94 PolarHBondContact O-N 2.78Å; R94-M97 PolarHBondContact O-N 2.91Å; R94-A98 WeakPolarHBondContact O-CB 3.31Å; R94-A98 PolarHBondContact O-N 2.88Å
95N87.9Confident83.2Confident60 Ų6091 Ų9132%0.32145%0.454SS..Hα-helixtrans-63.7-46.8175.9-170.5-29.8000110.9F87 H91 A92 M97 A98 L99F87-N95 WeakPolarHBondContact CE2-ND2 3.22Å; H91-N95 WeakPolarHBondContact O-CB 3.45Å; H91-N95 PolarHBondContact O-N 3.43Å; A92-N95 PolarHBondContact O-N 3.44Å; N95-M97 VanDerWaalsContact C-N 3.3Å; N95-M97 PolarHBondContact O-N 2.85Å; N95-A98 WeakPolarHBondContact O-CB 3.41Å; N95-A98 PolarHBondContact O-N 3.35Å; N95-A98 VanDerWaalsContact O-N 3.08Å; N95-L99 WeakPolarHBondContact O-CG 3.47Å; N95-L99 PolarHBondContact O-N 2.92Å; N95-L99 WeakPolarHBondContact OD1-CD1 3.47Å
96A87.7Confident82.1Confident45 Ų4590.4 Ų90.437%0.37246%0.459SS..Hα-helixtrans-59.1-39.3175.300000112.9A92 R93 R100A92-A96 WeakPolarHBondContact O-CB 3.46Å; A92-A96 PolarHBondContact O-N 3.43Å; R93-A96 PolarHBondContact O-N 2.96Å; A96-R100 WeakPolarHBondContact O-CB 3.35Å; A96-R100 VanDerWaalsContact O-CG 3.3Å; A96-R100 WeakPolarHBondContact O-CG 3.3Å; A96-R100 PolarHBondContact O-N 3.42Å
97M86.3Confident80.6Confident126 Ų12693.1 Ų93.162%0.62148%0.479SS*.Hα-helixtrans-66.7-39.8174.2-71.8-64.2-172.400112.3R93 R94 N95 R100 A101R93-M97 VanDerWaalsContact O-CG 3.31Å; R93-M97 WeakPolarHBondContact O-CG 3.44Å; R93-M97 PolarHBondContact O-N 3.39Å; R94-M97 PolarHBondContact O-N 2.91Å; N95-M97 VanDerWaalsContact C-N 3.3Å; N95-M97 PolarHBondContact O-N 2.85Å; M97-R100 PolarHBondContact O-N 2.99Å; M97-A101 WeakPolarHBondContact O-CB 3.47Å; M97-A101 PolarHBondContact O-N 3.09Å
98A85.8Confident79Confident48 Ų4895.1 Ų95.140%0.39750%0.5SS..Hα-helixtrans-64.2-44.417600000111.9R94 N95 R100 A101 Q102R94-A98 WeakPolarHBondContact O-CB 3.31Å; R94-A98 PolarHBondContact O-N 2.88Å; N95-A98 WeakPolarHBondContact O-CB 3.41Å; N95-A98 PolarHBondContact O-N 3.35Å; N95-A98 VanDerWaalsContact O-N 3.08Å; A98-R100 PolarHBondContact O-N 3.09Å; A98-A101 PolarHBondContact O-N 3.26Å; A98-Q102 WeakPolarHBondContact O-CG 3.39Å; A98-Q102 PolarHBondContact O-N 2.93Å
99L83.8Confident77.6Confident89 Ų8997.5 Ų97.547%0.46653%0.525SS..Hα-helixtrans-60.7-44.3174.7-69.8173.1000111.4N95 A101 Q102 M103N95-L99 WeakPolarHBondContact O-CG 3.47Å; N95-L99 PolarHBondContact O-N 2.92Å; N95-L99 WeakPolarHBondContact OD1-CD1 3.47Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 3.41Å; L99-Q102 PolarHBondContact O-N 3.14Å; L99-M103 VanDerWaalsContact O-CG 3.32Å; L99-M103 WeakPolarHBondContact O-CG 3.46Å; L99-M103 PolarHBondContact O-N 3.48Å
100R82Confident76.4Confident167 Ų16796.4 Ų96.463%0.6351%0.512SS*.Hα-helixtrans-61.7-37.3174.8-75.1175.2177.6-173.3-1.2112.6A96 M97 A98 R104A96-R100 WeakPolarHBondContact O-CB 3.35Å; A96-R100 VanDerWaalsContact O-CG 3.3Å; A96-R100 WeakPolarHBondContact O-CG 3.3Å; A96-R100 PolarHBondContact O-N 3.42Å; M97-R100 PolarHBondContact O-N 2.99Å; A98-R100 PolarHBondContact O-N 3.09Å; R100-R104 WeakPolarHBondContact O-CG 3.32Å; R100-R104 PolarHBondContact O-N 3.35Å; R100-R104 VanDerWaalsContact O-N 3.14Å
101A80.4Confident75.3Confident58 Ų5894 Ų9448%0.47951%0.505SS..Hα-helixtrans-68.8-39.3176.500000112.1M97 A98 L99 R104 K105M97-A101 WeakPolarHBondContact O-CB 3.47Å; M97-A101 PolarHBondContact O-N 3.09Å; A98-A101 PolarHBondContact O-N 3.26Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 3.41Å; A101-R104 PolarHBondContact O-N 3.39Å; A101-K105 PolarHBondContact O-N 3.02Å
102Q77.5Confident74.1Confident119 Ų11994.3 Ų94.356%0.55651%0.508SS*.Hα-helixtrans-63.8-43.8174.9-73175.8-1000111.7A98 L99 R104 K105 A106A98-Q102 WeakPolarHBondContact O-CG 3.39Å; A98-Q102 PolarHBondContact O-N 2.93Å; L99-Q102 PolarHBondContact O-N 3.14Å; Q102-R104 VanDerWaalsContact C-N 3.28Å; Q102-R104 PolarHBondContact O-N 3.4Å; Q102-K105 PolarHBondContact O-N 3.18Å; Q102-K105 VanDerWaalsContact O-N 3.09Å; Q102-A106 PolarHBondContact O-N 2.93Å; Q102-A106 VanDerWaalsContact O-N 3.09Å
103M70.3Confident73.1Confident129 Ų12998.4 Ų98.464%0.63552%0.52SS*.Hα-helixtrans-63.1-33.8175.9-65-62.8107.700112.5L99 A106 S107L99-M103 VanDerWaalsContact O-CG 3.32Å; L99-M103 WeakPolarHBondContact O-CG 3.46Å; L99-M103 PolarHBondContact O-N 3.48Å; M103-A106 PolarHBondContact O-N 2.96Å; M103-S107 PolarHBondContact O-N 3.27Å
104R66.8Low72.3Confident201 Ų20192.3 Ų92.376%0.75851%0.506SS*.Hα-helixtrans-73-25.7173.9-74-178.3-178.8-161.2-0.1113.7R100 A101 Q102 S107R100-R104 WeakPolarHBondContact O-CG 3.32Å; R100-R104 PolarHBondContact O-N 3.35Å; R100-R104 VanDerWaalsContact O-N 3.14Å; A101-R104 PolarHBondContact O-N 3.39Å; Q102-R104 VanDerWaalsContact C-N 3.28Å; Q102-R104 PolarHBondContact O-N 3.4Å; R104-S107 PolarHBondContact O-OG 3.47Å; R104-S107 VanDerWaalsContact O-OG 3.05Å
105K59.8Low71.4Confident189 Ų18987.2 Ų87.282%0.82249%0.487SS*.Hα-helixtrans-76.9-29.1174.9-150.382.5176.2-173.30111.3A101 Q102A101-K105 PolarHBondContact O-N 3.02Å; Q102-K105 PolarHBondContact O-N 3.18Å; Q102-K105 VanDerWaalsContact O-N 3.09Å
106A53Low70.6Confident80 Ų8086.8 Ų86.866%0.66149%0.485SS*.Hα-helixtrans-75.7-22.2173.400000113.4Q102 M103 S108Q102-A106 PolarHBondContact O-N 2.93Å; Q102-A106 VanDerWaalsContact O-N 3.09Å; M103-A106 PolarHBondContact O-N 2.96Å; A106-S108 PolarHBondContact O-N 3.29Å
107S54.3Low69.8Low76 Ų7687.8 Ų87.853%0.53149%0.489SS..  trans-86.484.5166.566.40000109.9M103 R104 G109M103-S107 PolarHBondContact O-N 3.27Å; R104-S107 PolarHBondContact O-OG 3.47Å; R104-S107 VanDerWaalsContact O-OG 3.05Å; S107-G109 PolarHBondContact O-N 3.23Å
108S56.8Low69.1Low99 Ų9986.8 Ų86.869%0.69248%0.483SS*.  trans-51.5137.3153.252.90000107.1A106A106-S108 PolarHBondContact O-N 3.29Å
109G59.8Low68.3Low55 Ų5590 Ų9057%0.56749%0.493SS*.  trans-51.5168.6-179.700000112.4S107 S111S107-G109 PolarHBondContact O-N 3.23Å; G109-S111 PolarHBondContact O-N 3.16Å
110P63.3Low67.4Low50 Ų5088.8 Ų88.833%0.32549%0.492SS..  trans-57101.8-174.325.3-34000109.6L115 K254 K255 A258P110-L115 HydrophobicContact CB-CD1 4.04Å; P110-L115 HydrophobicContact CB-CD2 3.89Å; P110-L115 HydrophobicContact CB-CG 3.93Å; P110-K254 HydrophobicContact CG-CB 4.31Å; P110-K255 HydrophobicContact CB-CG 4.49Å; P110-K255 HydrophobicContact CG-CG 4.45Å; P110-A258 WeakPolarHBondContact O-CB 3.43Å
111S66.4Low66.1Low36 Ų3684 Ų8425%0.25248%0.483SS..  trans-75.8151.3173103.80000107.6G109 E113 A114 L115G109-S111 PolarHBondContact O-N 3.16Å; S111-E113 VanDerWaalsContact CB-OE2 3.32Å; S111-E113 WeakPolarHBondContact CB-OE2 3.43Å; S111-E113 PolarHBondContact O-N 3.42Å; S111-E113 PolarHBondContact OG-N 2.95Å; S111-E113 PolarHBondContact OG-OE2 3.42Å; S111-A114 PolarHBondContact O-N 3.45Å; S111-A114 VanDerWaalsContact O-N 3.13Å; S111-A114 PolarHBondContact OG-N 3.05Å; S111-L115 PolarHBondContact O-N 3.3Å
112P66.1Low65Low20 Ų2088.7 Ų88.713%0.1349%0.493CS..Hα-helixtrans-51.9-41.4175.7-2332.6000111.6L115 L116 A258 R261P112-L115 PolarHBondContact O-N 2.65Å; P112-L116 VanDerWaalsContact O-CD1 3.3Å; P112-L116 WeakPolarHBondContact O-CD1 3.44Å; P112-L116 WeakPolarHBondContact O-CG 3.32Å; P112-L116 PolarHBondContact O-N 3.41Å; P112-L116 VanDerWaalsContact O-N 3.11Å; P112-A258 WeakPolarHBondContact CG-O 3.29Å; P112-R261 HydrophobicContact CG-CB 4.3Å
113E69.5Low63.8Low129 Ų12989.7 Ų89.760%0.60350%0.502SS*.Hα-helixtrans-65.3-42.4178.9-54.478.3-159.100112S111 L115 L116 S117S111-E113 VanDerWaalsContact CB-OE2 3.32Å; S111-E113 WeakPolarHBondContact CB-OE2 3.43Å; S111-E113 PolarHBondContact O-N 3.42Å; S111-E113 PolarHBondContact OG-N 2.95Å; S111-E113 PolarHBondContact OG-OE2 3.42Å; E113-L115 PolarHBondContact O-N 3.05Å; E113-L116 PolarHBondContact O-N 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.31Å; E113-S117 PolarHBondContact O-N 3.28Å
114A72.2Confident63Low41 Ų4193.5 Ų93.534%0.33951%0.509SS..Hα-helixtrans-66-37.1177.600000112.7S111 Q118S111-A114 PolarHBondContact O-N 3.45Å; S111-A114 VanDerWaalsContact O-N 3.13Å; S111-A114 PolarHBondContact OG-N 3.05Å; A114-Q118 VanDerWaalsContact O-CG 3.29Å; A114-Q118 WeakPolarHBondContact O-CG 3.5Å; A114-Q118 PolarHBondContact O-N 3.47Å
115L70.1Confident62Low15 Ų1588.5 Ų88.58%0.07951%0.505CS..Hα-helixtrans-68.5-37.7176-70.2174.8000112.1P110 S111 P112 E113 Q118 L119 K255 A258 L259P110-L115 HydrophobicContact CB-CD1 4.04Å; P110-L115 HydrophobicContact CB-CD2 3.89Å; P110-L115 HydrophobicContact CB-CG 3.93Å; S111-L115 PolarHBondContact O-N 3.3Å; P112-L115 PolarHBondContact O-N 2.65Å; E113-L115 PolarHBondContact O-N 3.05Å; L115-Q118 PolarHBondContact O-N 3.48Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.48Å; L115-L119 VanDerWaalsContact O-N 3.12Å; L115-K255 HydrophobicContact CD1-CB 4.15Å; L115-K255 HydrophobicContact CD1-CG 4.32Å; L115-K255 HydrophobicContact CD2-CD 4.19Å; L115-K255 HydrophobicContact CD2-CG 3.97Å; L115-A258 HydrophobicContact CD1-CB 4Å; L115-L259 HydrophobicContact CD1-CD2 4.22Å; L115-L259 HydrophobicContact CD1-CG 4.07Å
116L70.3Confident61.3Low51 Ų5187 Ų8727%0.26750%0.501SS..Hα-helixtrans-69.6-39.7175.9-66.1160.2000111.6P112 E113 Q118 L119 S120 Y262P112-L116 VanDerWaalsContact O-CD1 3.3Å; P112-L116 WeakPolarHBondContact O-CD1 3.44Å; P112-L116 WeakPolarHBondContact O-CG 3.32Å; P112-L116 PolarHBondContact O-N 3.41Å; P112-L116 VanDerWaalsContact O-N 3.11Å; E113-L116 PolarHBondContact O-N 3.29Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.36Å; L116-L119 PolarHBondContact O-N 2.99Å; L116-S120 PolarHBondContact O-N 3.43Å; L116-Y262 HydrophobicContact CD1-CD2 3.44Å; L116-Y262 VanDerWaalsContact CD1-CD2 3.44Å; L116-Y262 HydrophobicContact CD1-CE1 4.4Å; L116-Y262 HydrophobicContact CD1-CE2 3.08Å; L116-Y262 HydrophobicContact CD1-CG 4.25Å; L116-Y262 HydrophobicContact CD2-CE1 4.04Å; L116-Y262 HydrophobicContact CD2-CE2 4.17Å; L116-Y262 HydrophobicContact CG-CE2 4.21Å
117S70.9Confident60.7Low65 Ų6588.6 Ų88.646%0.45550%0.503SS..Hα-helixtrans-60.6-42.4173-1770000111.2E113 L119 S120 C121E113-S117 WeakPolarHBondContact O-CB 3.31Å; E113-S117 PolarHBondContact O-N 3.28Å; S117-L119 PolarHBondContact O-N 3.03Å; S117-S120 WeakPolarHBondContact CA-OG 3.48Å; S117-S120 PolarHBondContact O-N 3.12Å; S117-S120 VanDerWaalsContact O-N 3.12Å; S117-S120 PolarHBondContact O-OG 3.08Å; S117-C121 PolarHBondContact O-N 3.47Å; S117-C121 PolarHBondContact O-SG 3.28Å
118Q71.6Confident60Low106 Ų10692.7 Ų92.750%0.49551%0.513SS..Hα-helixtrans-58.6-45.1173.9-75171.913.700112.3A114 L115 L116 S120 C121 F122A114-Q118 VanDerWaalsContact O-CG 3.29Å; A114-Q118 WeakPolarHBondContact O-CG 3.5Å; A114-Q118 PolarHBondContact O-N 3.47Å; L115-Q118 PolarHBondContact O-N 3.48Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.36Å; Q118-S120 VanDerWaalsContact C-N 3.3Å; Q118-S120 PolarHBondContact O-N 2.95Å; Q118-C121 PolarHBondContact O-N 3.17Å; Q118-F122 VanDerWaalsContact O-CD2 3.31Å; Q118-F122 WeakPolarHBondContact O-CD2 3.3Å; Q118-F122 PolarHBondContact O-N 3.31Å
119L69.8Low58.6Low115 Ų11594.2 Ų94.260%0.60252%0.524SS*.Hα-helixtrans-62.3-36.8175.6-67.8170.7000112.1L115 L116 S117 C121 F122L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.48Å; L115-L119 VanDerWaalsContact O-N 3.12Å; L116-L119 PolarHBondContact O-N 2.99Å; S117-L119 PolarHBondContact O-N 3.03Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.24Å; L119-F122 PolarHBondContact O-N 3.42Å
120S64.3Low58.2Low64 Ų6499.2 Ų99.245%0.44854%0.537SS..Hα-helixtrans-69.3-28.5177.175.40000113.8L116 S117 Q118 N123L116-S120 PolarHBondContact O-N 3.43Å; S117-S120 WeakPolarHBondContact CA-OG 3.48Å; S117-S120 PolarHBondContact O-N 3.12Å; S117-S120 VanDerWaalsContact O-N 3.12Å; S117-S120 PolarHBondContact O-OG 3.08Å; Q118-S120 VanDerWaalsContact C-N 3.3Å; Q118-S120 PolarHBondContact O-N 2.95Å; S120-N123 PolarHBondContact O-N 3.34Å
121C55.7Low57Low67 Ų67104.8 Ų104.845%0.45356%0.564SS.*Hα-helixtrans-75-31.8177.2-66.30000112.9S117 Q118 L119 N123 R124 S125S117-C121 PolarHBondContact O-N 3.47Å; S117-C121 PolarHBondContact O-SG 3.28Å; Q118-C121 PolarHBondContact O-N 3.17Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.24Å; C121-N123 VanDerWaalsContact C-N 3.26Å; C121-N123 PolarHBondContact O-N 3.27Å; C121-R124 PolarHBondContact O-N 2.93Å; C121-R124 VanDerWaalsContact O-N 3.16Å; C121-S125 PolarHBondContact O-N 3.49Å; C121-S125 PolarHBondContact O-OG 3.13Å
122F56.7Low55.5Low155 Ų155106.4 Ų106.468%0.6859%0.586SS**Hα-helixtrans-61.1-37.8172.6-85.8-84000111.2Q118 L119 R124 S125Q118-F122 VanDerWaalsContact O-CD2 3.31Å; Q118-F122 WeakPolarHBondContact O-CD2 3.3Å; Q118-F122 PolarHBondContact O-N 3.31Å; L119-F122 PolarHBondContact O-N 3.42Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 3.36Å; F122-S125 PolarHBondContact O-N 3.2Å
123N52.7Low54.4Low140 Ų140109 Ų10975%0.74962%0.616SS**THydrogen-bonded Turntrans-66.7-18.1175.8-88.325.4000115.1S120 C121S120-N123 PolarHBondContact O-N 3.34Å; C121-N123 VanDerWaalsContact C-N 3.26Å; C121-N123 PolarHBondContact O-N 3.27Å
124R52.5Low52.8Low210 Ų210114.3 Ų114.379%0.79263%0.631SS**THydrogen-bonded Turntrans-94.4-10.8178.3-59.3-167.991.8-150.46.9113.4C121 F122C121-R124 PolarHBondContact O-N 2.93Å; C121-R124 VanDerWaalsContact O-N 3.16Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 3.36Å
125S47.1Very low51.2Low96 Ų96117.6 Ų117.667%0.67165%0.651SS**THydrogen-bonded Turntrans-85.7-9.6-172.3-54.80000113.3C121 F122C121-S125 PolarHBondContact O-N 3.49Å; C121-S125 PolarHBondContact O-OG 3.13Å; F122-S125 PolarHBondContact O-N 3.2Å
126E45Very low49.6Very low156 Ų156126.6 Ų126.673%0.72969%0.693SS**THydrogen-bonded Turntrans-97.3-0.8-176.7-72.7-173.8158.800114.9
127T40.5Very low47.9Very low115 Ų115128.3 Ų128.371%0.70671%0.714SS**SBendtrans-106.389.4173.257.10000110.6
128H38.3Very low46.5Very low162 Ų162131 Ų13175%0.7573%0.733SS**  trans33.8108.4156.9-73.6-89.4000118.8
129S27.2Very low45.2Very low130 Ų130137.7 Ų137.791%0.90975%0.754SS**  trans-142.987.7141.4-750000108.6D131S129-D131 PolarHBondContact O-N 2.55Å
130L53.1Low44Very low161 Ų161139.5 Ų139.584%0.84376%0.763SS**  trans-77.998.5161-79.8162.7000107.3
131D38.2Very low43.1Very low167 Ų167143.6 Ų143.689%0.89378%0.779SS**  trans-170.7146.1136.1-144.1-12000111.9S129S129-D131 PolarHBondContact O-N 2.55Å
132G34.8Very low42.1Very low70 Ų70148.7 Ų148.772%0.72280%0.801SS**  trans102.865.2154.500000119.8
133G42.9Very low41.4Very low73 Ų73150 Ų15075%0.75381%0.81SS**  trans0.8135.6158.900000123.4
134R35.3Very low40.5Very low242 Ų242151.6 Ų151.691%0.91381%0.812SS**  176.6133.6111.8-97.9170.5166.7-114.8-1.1113
135S38.3Very low40Very low109 Ų109146.3 Ų146.376%0.76281%0.808SS**  trans81.372.7150.9-63.20000119.5A137S135-A137 PolarHBondContact O-N 3.28Å
136E36.3Very low39.4Very low205 Ų205149.4 Ų149.496%0.95882%0.816SS**  trans-74.490.2154.3-68.4176.4133.600110.6
137A35.4Very low39.2Very low87 Ų87147.7 Ų147.772%0.71982%0.821SS**  trans-147.335.9173.700000114.2S135S135-A137 PolarHBondContact O-N 3.28Å
138S42Very low39Very low122 Ų122150.9 Ų150.985%0.85383%0.828SS**SBendtrans-153.234173.4-75.80000114.9
139R42.8Very low39Very low246 Ų246150.9 Ų150.993%0.92883%0.828SS**  trans-129.376.8169.4-63.3-172.2-172.6172.53109.8
140I44.5Very low39.7Very low153 Ų153153.4 Ų153.479%0.78583%0.826SS**  trans-132.4126.8163.3-48.2-178.5000106.2
141L45Very low39.1Very low150 Ų150152.7 Ų152.779%0.78582%0.818SS**  trans81.591.7175.5-44.6-176.7000115.4
142D36.2Very low39.2Very low174 Ų174146.8 Ų146.893%0.9380%0.796SS**  -163.594109.2-85.3-29.2000108
143E42.1Very low39.5Very low182 Ų182148.7 Ų148.785%0.8580%0.796SS**  trans-104.1100.4171.4-164.3-100.1127.800106.2
144E33Very low39.7Very low173 Ų173151.8 Ų151.881%0.80880%0.795SS**  trans-166.1122.9145.2-124.8178.7151.300111.5
145S42.9Very low40.3Very low99 Ų99144.9 Ų144.969%0.69278%0.779SS**  trans61.4103.4146-87.10000119.4
146L33.8Very low40.6Very low162 Ų162147.2 Ų147.285%0.84878%0.782SS**  -169136.283.5-82.7173.7000109.1E148L146-E148 PolarHBondContact O-N 2.74Å
147S40Very low41.2Very low119 Ų119144.5 Ų144.583%0.83278%0.775SS**  trans-58.3112.2179.853.10000112.6
148E37.3Very low41.8Very low183 Ų183146.3 Ų146.386%0.85577%0.768SS**  trans-107.3115.2154.1-71.3-163.413000107.1L146 E150L146-E148 PolarHBondContact O-N 2.74Å; E148-E150 VanDerWaalsContact C-N 3.29Å; E148-E150 PolarHBondContact O-N 3.4Å
149E37.5Very low42.3Very low161 Ų161145.5 Ų145.575%0.75276%0.758SS**  trans-61.996.8167.1-170-179.9147.500107.4Q151E149-Q151 HydrophobicContact CG-CG 4.47Å; E149-Q151 PolarHBondContact O-N 3.24Å; E149-Q151 PolarHBondContact OE1-NE2 2.96Å
150E41.6Very low42.7Very low183 Ų183145.2 Ų145.286%0.85576%0.757SS**  trans-66.881.7173.7-173.6173.9-175.200108.6E148 G152E148-E150 VanDerWaalsContact C-N 3.29Å; E148-E150 PolarHBondContact O-N 3.4Å; E150-G152 PolarHBondContact O-N 3.11Å; E150-G152 VanDerWaalsContact O-N 3.08Å
151Q40.4Very low43.2Very low147 Ų147147.7 Ų147.769%0.68776%0.757SS**  trans-70.6101.4161.3-78.3167.516.500106.5E149E149-Q151 HydrophobicContact CG-CG 4.47Å; E149-Q151 PolarHBondContact O-N 3.24Å; E149-Q151 PolarHBondContact OE1-NE2 2.96Å
152G41.7Very low43.4Very low42 Ų42143.5 Ų143.543%0.43375%0.75SS.*  trans-55.7175.7-17900000114E150 L154E150-G152 PolarHBondContact O-N 3.11Å; E150-G152 VanDerWaalsContact O-N 3.08Å; G152-L154 PolarHBondContact O-N 3.02Å
153P41.3Very low43.9Very low111 Ų111140.5 Ų140.572%0.72173%0.734SS**  trans-55110.4-171.8-22.331.9000111.4V155P153-V155 PolarHBondContact O-N 3.12Å
154L46.2Very low44.4Very low137 Ų137137 Ų13772%0.71773%0.727SS**  trans-60.3105.4173.6-77.9155.8000108.1G152 L156G152-L154 PolarHBondContact O-N 3.02Å; L154-L156 PolarHBondContact O-N 3.4Å
155V47.3Very low45.3Very low98 Ų98135 Ų13559%0.59472%0.722SS**  trans-53.6127.8169.2176.10000107.7P153 D157 Q158P153-V155 PolarHBondContact O-N 3.12Å; V155-D157 HydrophobicContact CG1-CB 4.09Å; V155-D157 PolarHBondContact O-N 3.12Å; V155-Q158 PolarHBondContact O-N 3.06Å
156L46Very low45.6Very low157 Ų157134.7 Ų134.782%0.82272%0.719SS**G310 helixtrans-52.5-13.6-174.9-171.765.9000114.3L154 Q158L154-L156 PolarHBondContact O-N 3.4Å; L156-Q158 VanDerWaalsContact C-N 3.35Å
157D47.5Very low46.3Very low149 Ų149134.5 Ų134.580%0.79771%0.714SS**G310 helixtrans-78.7-11.9179.7-154.943.5000113.9V155V155-D157 HydrophobicContact CG1-CB 4.09Å; V155-D157 PolarHBondContact O-N 3.12Å
158Q49.6Very low46.8Very low124 Ų124132.8 Ų132.858%0.57971%0.707SS**G310 helixtrans-100.13.1-177.7-69-176.339.700115.2V155 L156V155-Q158 PolarHBondContact O-N 3.06Å; L156-Q158 VanDerWaalsContact C-N 3.35Å
159T51Low47.3Very low105 Ų105130.2 Ų130.264%0.64470%0.699SS**SBendtrans-82.6-12.3-177.3-38.30000113.6R161T159-R161 PolarHBondContact O-N 3.3Å
160W52.1Low47.9Very low241 Ų241127 Ų12791%0.91370%0.695SS**  trans-97.268.7170.2-64.7102.8000110.5G162W160-G162 PolarHBondContact O-N 2.83Å
161R54.6Low48.5Very low205 Ų205123.7 Ų123.777%0.77469%0.686SS**  trans-77104.9149-88.3-150.4-92.4-83.45.1106T159 D163T159-R161 PolarHBondContact O-N 3.3Å; R161-D163 PolarHBondContact O-N 2.94Å
162G49.4Very low49.1Very low62 Ų62120.1 Ų120.164%0.63967%0.672SS**  trans-44.4131.5161.500000108.3W160 P164W160-G162 PolarHBondContact O-N 2.83Å; G162-P164 VanDerWaalsContact O-CD 3.23Å; G162-P164 WeakPolarHBondContact O-CD 3.21Å; G162-P164 VanDerWaalsContact O-N 3.09Å
163D46.7Very low49.7Very low111 Ų111122.3 Ų122.359%0.59468%0.681SS**  trans-53.5111.7-178.7-172.26.3000109.4R161 D165 S166R161-D163 PolarHBondContact O-N 2.94Å; D163-D165 PolarHBondContact O-N 2.84Å; D163-D165 PolarHBondContact OD1-N 2.85Å; D163-S166 PolarHBondContact O-N 2.9Å
164P52.9Low50.2Low108 Ų108123.1 Ų123.170%0.70168%0.679SS**THydrogen-bonded Turntrans-71.9-7.3-179.829.1-31.6000112.5G162G162-P164 VanDerWaalsContact O-CD 3.23Å; G162-P164 WeakPolarHBondContact O-CD 3.21Å; G162-P164 VanDerWaalsContact O-N 3.09Å
165D50.8Low50.9Low132 Ų132123 Ų12371%0.70668%0.675SS**THydrogen-bonded Turntrans-103.717.7-179.9-64.8-21.4000112.9D163 E167D163-D165 PolarHBondContact O-N 2.84Å; D163-D165 PolarHBondContact OD1-N 2.85Å; D165-E167 PolarHBondContact O-N 3.24Å
166S50Low51.5Low91 Ų91124.1 Ų124.164%0.63667%0.673SS**  trans-76.851.3170.9-1440000111.7D163 A168D163-S166 PolarHBondContact O-N 2.9Å; S166-A168 PolarHBondContact O-N 3Å; S166-A168 VanDerWaalsContact O-N 3.08Å
167E47.5Very low52.6Low158 Ų158118.1 Ų118.174%0.73864%0.642SS**  trans-79.149.4157.9-50.8-161.2177.500108.4D165 D169D165-E167 PolarHBondContact O-N 3.24Å; E167-D169 PolarHBondContact O-N 3.46Å
168A51.2Low53.7Low83 Ų83116.7 Ų116.769%0.68664%0.641SS**  trans-71.773.6164.200000106.5S166 S170S166-A168 PolarHBondContact O-N 3Å; S166-A168 VanDerWaalsContact O-N 3.08Å; A168-S170 PolarHBondContact O-N 2.98Å
169D48.6Very low54.7Low129 Ų129112.8 Ų112.869%0.6962%0.624SS**  trans-42.4116.1160.8-83.4-34.1000106.3E167 V171E167-D169 PolarHBondContact O-N 3.46Å; D169-V171 HydrophobicContact CB-CG2 3.5Å; D169-V171 PolarHBondContact O-N 3.25Å
170S50.1Low55.5Low95 Ų95111.4 Ų111.466%0.66461%0.609SS**  trans-68.272.2165.357.40000107.5A168 D172 S173A168-S170 PolarHBondContact O-N 2.98Å; S170-D172 PolarHBondContact O-N 3.4Å; S170-S173 PolarHBondContact O-OG 3.47Å
171V52.7Low56.6Low112 Ų112107.3 Ų107.368%0.67960%0.6SS**THydrogen-bonded Turntrans-72.338.1173.2-165.20000110D169D169-V171 HydrophobicContact CB-CG2 3.5Å; D169-V171 PolarHBondContact O-N 3.25Å
172D54Low57.6Low72 Ų72100.2 Ų100.239%0.38559%0.585SS.*THydrogen-bonded Turntrans-126.1-5.7-179.9-139.348.9000112.2S170 D174 R200S170-D172 PolarHBondContact O-N 3.4Å; D172-D174 VanDerWaalsContact C-N 3.26Å; D172-D174 PolarHBondContact O-N 3.25Å; D172-R200 VanDerWaalsContact CG-NH2 3.32Å; D172-R200 IonicContact OD1-CZ 3.49Å; D172-R200 IonicContact OD1-NE 3.47Å; D172-R200 PolarHBondContact OD1-NE 3.09Å; D172-R200 IonicContact OD1-NH2 3.33Å; D172-R200 PolarHBondContact OD1-NH2 3.29Å; D172-R200 WeakPolarHBondContact OD2-CD 3.47Å; D172-R200 IonicContact OD2-CZ 2.54Å; D172-R200 IonicContact OD2-NE 3.16Å; D172-R200 PolarHBondContact OD2-NE 2.93Å; D172-R200 IonicContact OD2-NH2 3.61Å
173S53.9Low58.6Low88 Ų88100.6 Ų100.662%0.61559%0.589SS**THydrogen-bonded Turntrans-75.2-12.4175.453.70000114.1S170S170-S173 PolarHBondContact O-OG 3.47Å
174D53Low60.1Low129 Ų129101.1 Ų101.169%0.6960%0.596SS**THydrogen-bonded Turntrans-95.55.4-167.4-69.11000114.3D172 E176D172-D174 VanDerWaalsContact C-N 3.26Å; D172-D174 PolarHBondContact O-N 3.25Å; D174-E176 PolarHBondContact O-N 3.45Å
175H59.1Low61.5Low134 Ų134100.5 Ų100.562%0.6258%0.58SS**SBendtrans-80.978.8161.4-16154.9000108.4D177 R200H175-D177 PolarHBondContact O-N 2.81Å; H175-R200 VanDerWaalsContact CB-NH1 3.26Å
176E60.9Low63.3Low121 Ų12197.6 Ų97.657%0.56557%0.567SS**  trans-50.6111.7178.6-73-165.8142.700110.4D174 P178 K180D174-E176 PolarHBondContact O-N 3.45Å; E176-P178 VanDerWaalsContact O-CD 3.26Å; E176-P178 WeakPolarHBondContact O-CD 3.11Å; E176-P178 VanDerWaalsContact O-N 3.08Å; E176-K180 HydrophobicContact CB-CD 3.87Å; E176-K180 HydrophobicContact CG-CD 4.08Å; E176-K180 WeakPolarHBondContact OE1-CE 3.4Å; E176-K180 IonicContact OE1-NZ 3.52Å; E176-K180 PolarHBondContact OE1-NZ 3.34Å; E176-K180 WeakPolarHBondContact OE2-CE 3.43Å; E176-K180 IonicContact OE2-NZ 2.68Å; E176-K180 PolarHBondContact OE2-NZ 3.13Å
177D69.9Low65.1Low32 Ų3297.4 Ų97.417%0.17157%0.571CS.*  trans-46.6115.8167.216913.4000108.1H175 L179 K180 Y185 I193H175-D177 PolarHBondContact O-N 2.81Å; D177-L179 PolarHBondContact O-N 2.82Å; D177-L179 PolarHBondContact OD1-N 3.45Å; D177-K180 HydrophobicContact CB-CB 4.28Å; D177-K180 VanDerWaalsContact O-CB 3.24Å; D177-K180 WeakPolarHBondContact O-CB 3.37Å; D177-K180 WeakPolarHBondContact O-CG 3.41Å; D177-K180 PolarHBondContact O-N 3.49Å; D177-Y185 WeakPolarHBondContact OD2-CE1 3.31Å; D177-Y185 PolarHBondContact OD2-OH 2.91Å; D177-I193 WeakPolarHBondContact OD1-CD1 3.23Å
178P70.3Confident67Low119 Ų11997.4 Ų97.477%0.77357%0.571SS**THydrogen-bonded Turntrans-54.8-21.4-178.8-27.635.9000113.4E176E176-P178 VanDerWaalsContact O-CD 3.26Å; E176-P178 WeakPolarHBondContact O-CD 3.11Å; E176-P178 VanDerWaalsContact O-N 3.08Å
179L69Low68.7Low42 Ų4296.3 Ų96.322%0.2255%0.552CS.*THydrogen-bonded Turntrans-96.55.5178.1-74.7117.2000114.8D177 H181 A182 Y185 E189 I193D177-L179 PolarHBondContact O-N 2.82Å; D177-L179 PolarHBondContact OD1-N 3.45Å; L179-H181 PolarHBondContact O-N 3.16Å; L179-A182 HydrophobicContact CB-CB 4.26Å; L179-A182 HydrophobicContact CD2-CB 4.02Å; L179-A182 VanDerWaalsContact O-CB 3.29Å; L179-A182 WeakPolarHBondContact O-CB 3.43Å; L179-A182 PolarHBondContact O-N 3.15Å; L179-Y185 HydrophobicContact CB-CD1 4Å; L179-Y185 HydrophobicContact CB-CE1 3.45Å; L179-Y185 VanDerWaalsContact CB-CE1 3.45Å; L179-Y185 HydrophobicContact CD2-CD1 4.47Å; L179-Y185 PolarHBondContact O-OH 3.5Å; L179-E189 HydrophobicContact CD1-CB 4.38Å; L179-E189 HydrophobicContact CD1-CG 4.25Å; L179-E189 HydrophobicContact CD2-CG 4.17Å; L179-E189 WeakPolarHBondContact CD2-OE1 3.46Å; L179-I193 HydrophobicContact CD1-CD1 4.39Å
180K68.9Low70.6Confident75 Ų7593.4 Ų93.433%0.32654%0.539SS..THydrogen-bonded Turntrans-55.5-21.6-177.769.6-173.9174.1122.30115.4E176 D177E176-K180 HydrophobicContact CB-CD 3.87Å; E176-K180 HydrophobicContact CG-CD 4.08Å; E176-K180 WeakPolarHBondContact OE1-CE 3.4Å; E176-K180 IonicContact OE1-NZ 3.52Å; E176-K180 PolarHBondContact OE1-NZ 3.34Å; E176-K180 WeakPolarHBondContact OE2-CE 3.43Å; E176-K180 IonicContact OE2-NZ 2.68Å; E176-K180 PolarHBondContact OE2-NZ 3.13Å; D177-K180 HydrophobicContact CB-CB 4.28Å; D177-K180 VanDerWaalsContact O-CB 3.24Å; D177-K180 WeakPolarHBondContact O-CB 3.37Å; D177-K180 WeakPolarHBondContact O-CG 3.41Å; D177-K180 PolarHBondContact O-N 3.49Å
181H74.4Confident72.5Confident155 Ų15591.5 Ų91.572%0.71853%0.529SS*.THydrogen-bonded Turntrans-108.63.3177.8-49.9115.6000113.9L179 G183L179-H181 PolarHBondContact O-N 3.16Å; H181-G183 VanDerWaalsContact C-N 3.27Å; H181-G183 PolarHBondContact O-N 3.42Å
182A75.7Confident74.2Confident57 Ų5790.8 Ų90.847%0.47152%0.521SS..SBendtrans-72.6-17.9-174.900000113.4L179 V184L179-A182 HydrophobicContact CB-CB 4.26Å; L179-A182 HydrophobicContact CD2-CB 4.02Å; L179-A182 VanDerWaalsContact O-CB 3.29Å; L179-A182 WeakPolarHBondContact O-CB 3.43Å; L179-A182 PolarHBondContact O-N 3.15Å; A182-V184 PolarHBondContact O-N 3.33Å
183G69.9Low75.7Confident70 Ų7088.5 Ų88.572%0.72251%0.508SS*.SBendtrans74.2-29.617400000115.3H181H181-G183 VanDerWaalsContact C-N 3.27Å; H181-G183 PolarHBondContact O-N 3.42Å
184V78.6Confident77.4Confident122 Ų12287.6 Ų87.674%0.73950%0.499SS*.SBendtrans-138.7128.8173.2-1770000108.8A182A182-V184 PolarHBondContact O-N 3.33Å
185Y83.2Confident79.3Confident94 Ų9488.9 Ų88.937%0.36949%0.494SS..  trans-101.4139.4178.6-66.1-97.3000110.8D177 L179 V190 I193D177-Y185 WeakPolarHBondContact OD2-CE1 3.31Å; D177-Y185 PolarHBondContact OD2-OH 2.91Å; L179-Y185 HydrophobicContact CB-CD1 4Å; L179-Y185 HydrophobicContact CB-CE1 3.45Å; L179-Y185 VanDerWaalsContact CB-CE1 3.45Å; L179-Y185 HydrophobicContact CD2-CD1 4.47Å; L179-Y185 PolarHBondContact O-OH 3.5Å; Y185-V190 HydrophobicContact CD1-CG2 4.48Å; Y185-V190 HydrophobicContact CG-CG2 4.22Å; Y185-I193 HydrophobicContact CD1-CD1 4.16Å; Y185-I193 HydrophobicContact CE1-CD1 3.87Å
186T88.6Confident80.9Confident71 Ų7187.8 Ų87.844%0.43649%0.49SS..  trans-76.6154.5165.466.30000110.3E188 E189 V190T186-E188 PolarHBondContact O-N 2.95Å; T186-E189 WeakPolarHBondContact CB-OE2 3.41Å; T186-E189 PolarHBondContact N-OE2 3.45Å; T186-E189 PolarHBondContact O-N 2.95Å; T186-E189 WeakPolarHBondContact OG1-CG 3.44Å; T186-E189 PolarHBondContact OG1-N 3.34Å; T186-E189 PolarHBondContact OG1-OE2 3.06Å; T186-V190 WeakPolarHBondContact O-CG2 3.33Å; T186-V190 PolarHBondContact O-N 3.3Å; T186-V190 VanDerWaalsContact O-N 3.16Å
187A86.8Confident82.3Confident87 Ų8788.4 Ų88.472%0.71949%0.49SS*.Hα-helixtrans-60.5-31.8-179.500000112.8A191A187-A191 WeakPolarHBondContact O-CB 3.43Å; A187-A191 PolarHBondContact O-N 2.78Å; A187-A191 VanDerWaalsContact O-N 3.1Å
188E89.1Confident83.4Confident158 Ų15892.3 Ų92.374%0.73851%0.51SS*.Hα-helixtrans-68.5-43.3178.2-63179-178.500111.6T186 A191 L192T186-E188 PolarHBondContact O-N 2.95Å; E188-A191 PolarHBondContact O-N 2.72Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.35Å
189E86.8Confident84.6Confident61 Ų6190.3 Ų90.329%0.28549%0.493SS..Hα-helixtrans-64.4-41.9177.1-70.1159.1158.700111.5L179 T186 A191 L192 I193L179-E189 HydrophobicContact CD1-CB 4.38Å; L179-E189 HydrophobicContact CD1-CG 4.25Å; L179-E189 HydrophobicContact CD2-CG 4.17Å; L179-E189 WeakPolarHBondContact CD2-OE1 3.46Å; T186-E189 WeakPolarHBondContact CB-OE2 3.41Å; T186-E189 PolarHBondContact N-OE2 3.45Å; T186-E189 PolarHBondContact O-N 2.95Å; T186-E189 WeakPolarHBondContact OG1-CG 3.44Å; T186-E189 PolarHBondContact OG1-N 3.34Å; T186-E189 PolarHBondContact OG1-OE2 3.06Å; E189-A191 VanDerWaalsContact C-N 3.31Å; E189-A191 PolarHBondContact O-N 3.46Å; E189-L192 PolarHBondContact O-N 3.08Å; E189-I193 WeakPolarHBondContact O-CD1 3.38Å; E189-I193 VanDerWaalsContact O-CG1 3.28Å; E189-I193 WeakPolarHBondContact O-CG1 3.43Å; E189-I193 PolarHBondContact O-N 3.21Å
190V87.3Confident85.7Confident67 Ų6792.6 Ų92.641%0.40650%0.498SS..Hα-helixtrans-61.8-41.5175.5178.80000110.9Y185 T186 T194Y185-V190 HydrophobicContact CD1-CG2 4.48Å; Y185-V190 HydrophobicContact CG-CG2 4.22Å; T186-V190 WeakPolarHBondContact O-CG2 3.33Å; T186-V190 PolarHBondContact O-N 3.3Å; T186-V190 VanDerWaalsContact O-N 3.16Å; V190-T194 HydrophobicContact CG1-CG2 4.33Å; V190-T194 WeakPolarHBondContact O-CB 3.29Å; V190-T194 VanDerWaalsContact O-CG2 3.26Å; V190-T194 WeakPolarHBondContact O-CG2 3.4Å; V190-T194 PolarHBondContact O-N 3.19Å; V190-T194 PolarHBondContact O-OG1 3.28Å
191A89.9Confident86.8Confident56 Ų5692.9 Ų92.946%0.46350%0.503SS..Hα-helixtrans-64.2-40177.600000112.1A187 E188 E189 T194 R195A187-A191 WeakPolarHBondContact O-CB 3.43Å; A187-A191 PolarHBondContact O-N 2.78Å; A187-A191 VanDerWaalsContact O-N 3.1Å; E188-A191 PolarHBondContact O-N 2.72Å; E189-A191 VanDerWaalsContact C-N 3.31Å; E189-A191 PolarHBondContact O-N 3.46Å; A191-T194 WeakPolarHBondContact CA-OG1 3.42Å; A191-T194 PolarHBondContact O-OG1 2.91Å; A191-R195 VanDerWaalsContact O-CB 3.28Å; A191-R195 WeakPolarHBondContact O-CB 3.26Å; A191-R195 PolarHBondContact O-N 3.23Å
192L89Confident87.8Confident96 Ų9691.3 Ų91.350%0.50350%0.496SS..Hα-helixtrans-66.1-48176.4-71.5172.5000112E188 E189 T194 R195 E196E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.35Å; E189-L192 PolarHBondContact O-N 3.08Å; L192-T194 VanDerWaalsContact C-N 3.32Å; L192-T194 PolarHBondContact O-N 3.04Å; L192-R195 PolarHBondContact O-N 3.47Å; L192-E196 WeakPolarHBondContact O-CG 3.34Å; L192-E196 PolarHBondContact O-N 2.89Å
193I86.4Confident88.8Confident24 Ų2491 Ų9112%0.12349%0.49CS..Hα-helixtrans-61-42.6179-67.2162000110.8D177 L179 Y185 E189 E196 K197D177-I193 WeakPolarHBondContact OD1-CD1 3.23Å; L179-I193 HydrophobicContact CD1-CD1 4.39Å; Y185-I193 HydrophobicContact CD1-CD1 4.16Å; Y185-I193 HydrophobicContact CE1-CD1 3.87Å; E189-I193 WeakPolarHBondContact O-CD1 3.38Å; E189-I193 VanDerWaalsContact O-CG1 3.28Å; E189-I193 WeakPolarHBondContact O-CG1 3.43Å; E189-I193 PolarHBondContact O-N 3.21Å; I193-E196 PolarHBondContact O-N 3.49Å; I193-K197 HydrophobicContact CG2-CD 4.03Å; I193-K197 WeakPolarHBondContact O-CB 3.11Å; I193-K197 VanDerWaalsContact O-CG 3.26Å; I193-K197 WeakPolarHBondContact O-CG 3.16Å; I193-K197 PolarHBondContact O-N 3.27Å
194T88.9Confident89.9Confident69 Ų6991.1 Ų91.142%0.42347%0.474SS..Hα-helixtrans-67.7-40.4178.3510000112V190 A191 L192 K197 L198V190-T194 HydrophobicContact CG1-CG2 4.33Å; V190-T194 WeakPolarHBondContact O-CB 3.29Å; V190-T194 VanDerWaalsContact O-CG2 3.26Å; V190-T194 WeakPolarHBondContact O-CG2 3.4Å; V190-T194 PolarHBondContact O-N 3.19Å; V190-T194 PolarHBondContact O-OG1 3.28Å; A191-T194 WeakPolarHBondContact CA-OG1 3.42Å; A191-T194 PolarHBondContact O-OG1 2.91Å; L192-T194 VanDerWaalsContact C-N 3.32Å; L192-T194 PolarHBondContact O-N 3.04Å; T194-K197 PolarHBondContact O-N 3.27Å; T194-L198 WeakPolarHBondContact O-CG 3.45Å; T194-L198 PolarHBondContact O-N 3.03Å
195R93.6Very high90.8Very high156 Ų15692.2 Ų92.259%0.58947%0.466SS*.Hα-helixtrans-59.6-47.6173.6179.1177.5178.6-100.20.7111.6A191 L192 K197 L198 I199A191-R195 VanDerWaalsContact O-CB 3.28Å; A191-R195 WeakPolarHBondContact O-CB 3.26Å; A191-R195 PolarHBondContact O-N 3.23Å; L192-R195 PolarHBondContact O-N 3.47Å; R195-K197 PolarHBondContact O-N 3.2Å; R195-L198 PolarHBondContact O-N 3.39Å; R195-I199 HydrophobicContact CG-CD1 3.9Å; R195-I199 VanDerWaalsContact O-CG1 3.29Å; R195-I199 WeakPolarHBondContact O-CG1 3.09Å; R195-I199 PolarHBondContact O-N 2.93Å
196E91.1Very high91.4Very high112 Ų11291.4 Ų91.452%0.52347%0.467SS..Hα-helixtrans-63.1-41.8178.6-73.9176.6-174.100112.2L192 I193 L198 I199 R200L192-E196 WeakPolarHBondContact O-CG 3.34Å; L192-E196 PolarHBondContact O-N 2.89Å; I193-E196 PolarHBondContact O-N 3.49Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.02Å; E196-I199 PolarHBondContact O-N 3.22Å; E196-R200 WeakPolarHBondContact O-CB 3.35Å; E196-R200 PolarHBondContact O-N 3.37Å
197K90.4Very high91.8Very high133 Ų13392 Ų9258%0.57847%0.468SS*.Hα-helixtrans-60.5-41.7174.1-75.3174.6180177.50112.1I193 T194 R195 R200 L201I193-K197 HydrophobicContact CG2-CD 4.03Å; I193-K197 WeakPolarHBondContact O-CB 3.11Å; I193-K197 VanDerWaalsContact O-CG 3.26Å; I193-K197 WeakPolarHBondContact O-CG 3.16Å; I193-K197 PolarHBondContact O-N 3.27Å; T194-K197 PolarHBondContact O-N 3.27Å; R195-K197 PolarHBondContact O-N 3.2Å; K197-R200 PolarHBondContact O-N 2.67Å; K197-L201 VanDerWaalsContact O-CB 3.29Å; K197-L201 WeakPolarHBondContact O-CB 3.27Å; K197-L201 PolarHBondContact O-N 3.28Å
198L93.9Very high92.3Very high114 Ų11493.4 Ų93.460%0.59746%0.46SS*.Hα-helixtrans-66.5-40.9176.4-73.1173.8000112.1T194 R195 E196 L201 Q202T194-L198 WeakPolarHBondContact O-CG 3.45Å; T194-L198 PolarHBondContact O-N 3.03Å; R195-L198 PolarHBondContact O-N 3.39Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.02Å; L198-L201 PolarHBondContact O-N 3.45Å; L198-Q202 VanDerWaalsContact O-CB 3.3Å; L198-Q202 WeakPolarHBondContact O-CB 3.41Å; L198-Q202 PolarHBondContact O-N 3.46Å
199I94.6Very high92.6Very high78 Ų7892.5 Ų92.540%0.445%0.454SS..Hα-helixtrans-63-44.6175.7-68.2165.9000110.5R195 E196 Q202 S203R195-I199 HydrophobicContact CG-CD1 3.9Å; R195-I199 VanDerWaalsContact O-CG1 3.29Å; R195-I199 WeakPolarHBondContact O-CG1 3.09Å; R195-I199 PolarHBondContact O-N 2.93Å; E196-I199 PolarHBondContact O-N 3.22Å; I199-Q202 PolarHBondContact O-N 3.44Å; I199-S203 PolarHBondContact O-N 3.27Å
200R91.8Very high93.1Very high90 Ų9095 Ų9534%0.3446%0.463SS..Hα-helixtrans-61.5-48.2176.1-168.8-174.9-171.1136.3-3.9111.1D172 H175 E196 K197 Q202 S203 L204D172-R200 VanDerWaalsContact CG-NH2 3.32Å; D172-R200 IonicContact OD1-CZ 3.49Å; D172-R200 IonicContact OD1-NE 3.47Å; D172-R200 PolarHBondContact OD1-NE 3.09Å; D172-R200 IonicContact OD1-NH2 3.33Å; D172-R200 PolarHBondContact OD1-NH2 3.29Å; D172-R200 WeakPolarHBondContact OD2-CD 3.47Å; D172-R200 IonicContact OD2-CZ 2.54Å; D172-R200 IonicContact OD2-NE 3.16Å; D172-R200 PolarHBondContact OD2-NE 2.93Å; D172-R200 IonicContact OD2-NH2 3.61Å; H175-R200 VanDerWaalsContact CB-NH1 3.26Å; E196-R200 WeakPolarHBondContact O-CB 3.35Å; E196-R200 PolarHBondContact O-N 3.37Å; K197-R200 PolarHBondContact O-N 2.67Å; R200-Q202 VanDerWaalsContact C-N 3.31Å; R200-Q202 PolarHBondContact O-N 3.08Å; R200-S203 PolarHBondContact O-N 3.03Å; R200-S203 VanDerWaalsContact O-N 3.13Å; R200-S203 PolarHBondContact O-OG 3.22Å; R200-L204 WeakPolarHBondContact O-CG 3.3Å; R200-L204 PolarHBondContact O-N 3.17Å
201L93.6Very high93.6Very high81 Ų8199.8 Ų99.842%0.42447%0.474SS..Hα-helixtrans-58.3-45177.3-176.764.4000111.4K197 L198 S203 L204 Y205K197-L201 VanDerWaalsContact O-CB 3.29Å; K197-L201 WeakPolarHBondContact O-CB 3.27Å; K197-L201 PolarHBondContact O-N 3.28Å; L198-L201 PolarHBondContact O-N 3.45Å; L201-S203 VanDerWaalsContact C-N 3.34Å; L201-S203 PolarHBondContact O-N 3.42Å; L201-L204 PolarHBondContact O-N 3.48Å; L201-Y205 HydrophobicContact CD1-CD2 4.04Å; L201-Y205 HydrophobicContact CD1-CE2 3.58Å; L201-Y205 HydrophobicContact CD2-CE2 4.15Å; L201-Y205 HydrophobicContact CG-CD2 3.88Å; L201-Y205 HydrophobicContact CG-CE2 3.65Å; L201-Y205 VanDerWaalsContact O-CD2 3.25Å; L201-Y205 WeakPolarHBondContact O-CD2 3.33Å; L201-Y205 PolarHBondContact O-N 3.46Å
202Q95.7Very high93.9Very high121 Ų121101.6 Ų101.657%0.56548%0.476SS*.Hα-helixtrans-59.8-44175.8-174.2-177.114.800111.5L198 I199 R200 L204 Y205 I206L198-Q202 VanDerWaalsContact O-CB 3.3Å; L198-Q202 WeakPolarHBondContact O-CB 3.41Å; L198-Q202 PolarHBondContact O-N 3.46Å; I199-Q202 PolarHBondContact O-N 3.44Å; R200-Q202 VanDerWaalsContact C-N 3.31Å; R200-Q202 PolarHBondContact O-N 3.08Å; Q202-L204 PolarHBondContact O-N 3.25Å; Q202-Y205 PolarHBondContact O-N 3.24Å; Q202-I206 HydrophobicContact CG-CD1 4Å; Q202-I206 VanDerWaalsContact O-CG1 3.26Å; Q202-I206 WeakPolarHBondContact O-CG1 3.38Å; Q202-I206 PolarHBondContact O-N 3.09Å
203S95.1Very high94.3Very high51 Ų51101.1 Ų101.136%0.35747%0.471SS..Hα-helixtrans-61.6-42.6177.874.40000112.4I199 R200 L201 Y205 I206 D207I199-S203 PolarHBondContact O-N 3.27Å; R200-S203 PolarHBondContact O-N 3.03Å; R200-S203 VanDerWaalsContact O-N 3.13Å; R200-S203 PolarHBondContact O-OG 3.22Å; L201-S203 VanDerWaalsContact C-N 3.34Å; L201-S203 PolarHBondContact O-N 3.42Å; S203-Y205 PolarHBondContact O-N 3.29Å; S203-I206 WeakPolarHBondContact O-CB 3.47Å; S203-I206 PolarHBondContact O-N 2.99Å; S203-D207 PolarHBondContact O-N 2.88Å
204L94.6Very high94.7Very high73 Ų73105.2 Ų105.238%0.38249%0.489SS..Hα-helixtrans-63.3-42.9176.1-68.8173.1000111.7R200 L201 Q202 D207 Q208R200-L204 WeakPolarHBondContact O-CG 3.3Å; R200-L204 PolarHBondContact O-N 3.17Å; L201-L204 PolarHBondContact O-N 3.48Å; Q202-L204 PolarHBondContact O-N 3.25Å; L204-D207 PolarHBondContact O-N 3.39Å; L204-Q208 WeakPolarHBondContact O-CG 3.45Å; L204-Q208 PolarHBondContact O-N 3.41Å
205Y96.7Very high95.2Very high144 Ų144104.7 Ų104.757%0.56548%0.483SS*.Hα-helixtrans-63.3-41175-84-61.7000112.5L201 Q202 S203 D207 Q208 F209L201-Y205 HydrophobicContact CD1-CD2 4.04Å; L201-Y205 HydrophobicContact CD1-CE2 3.58Å; L201-Y205 HydrophobicContact CD2-CE2 4.15Å; L201-Y205 HydrophobicContact CG-CD2 3.88Å; L201-Y205 HydrophobicContact CG-CE2 3.65Å; L201-Y205 VanDerWaalsContact O-CD2 3.25Å; L201-Y205 WeakPolarHBondContact O-CD2 3.33Å; L201-Y205 PolarHBondContact O-N 3.46Å; Q202-Y205 PolarHBondContact O-N 3.24Å; S203-Y205 PolarHBondContact O-N 3.29Å; Y205-D207 VanDerWaalsContact C-N 3.3Å; Y205-D207 PolarHBondContact O-N 2.83Å; Y205-Q208 PolarHBondContact O-N 3.42Å; Y205-F209 WeakPolarHBondContact O-CB 3Å; Y205-F209 PolarHBondContact O-N 3.2Å
206I96.1Very high95.3Very high77 Ų77103.2 Ų103.240%0.39549%0.486SS..Hα-helixtrans-60-43.8175.4-71.7166.4000110.1Q202 S203 F209 K210Q202-I206 HydrophobicContact CG-CD1 4Å; Q202-I206 VanDerWaalsContact O-CG1 3.26Å; Q202-I206 WeakPolarHBondContact O-CG1 3.38Å; Q202-I206 PolarHBondContact O-N 3.09Å; S203-I206 WeakPolarHBondContact O-CB 3.47Å; S203-I206 PolarHBondContact O-N 2.99Å; I206-F209 WeakPolarHBondContact O-CB 3.38Å; I206-F209 PolarHBondContact O-N 2.92Å; I206-K210 HydrophobicContact CG2-CD 4.29Å; I206-K210 VanDerWaalsContact CG2-CE 3.43Å; I206-K210 WeakPolarHBondContact O-CG 3.4Å; I206-K210 PolarHBondContact O-N 3.4Å
207D96.9Very high95.6Very high85 Ų85103.9 Ų103.946%0.45549%0.488SS..Hα-helixtrans-72.6-36-179.1-72.1-16.4000112.8S203 L204 Y205 F209 K210 R211S203-D207 PolarHBondContact O-N 2.88Å; L204-D207 PolarHBondContact O-N 3.39Å; Y205-D207 VanDerWaalsContact C-N 3.3Å; Y205-D207 PolarHBondContact O-N 2.83Å; D207-F209 VanDerWaalsContact C-N 3.32Å; D207-F209 PolarHBondContact O-N 3.04Å; D207-K210 PolarHBondContact O-N 2.92Å; D207-K210 IonicContact OD1-NZ 3.32Å; D207-K210 PolarHBondContact OD1-NZ 3.34Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 PolarHBondContact O-N 3.08Å
208Q96.9Very high95.9Very high116 Ų116100.2 Ų100.254%0.54247%0.472SS..Hα-helixtrans-59.3-44.2168.7-75.2-172.523.300111.4L204 Y205 R211 L212L204-Q208 WeakPolarHBondContact O-CG 3.45Å; L204-Q208 PolarHBondContact O-N 3.41Å; Y205-Q208 PolarHBondContact O-N 3.42Å; Q208-R211 PolarHBondContact O-N 3.46Å; Q208-L212 WeakPolarHBondContact O-CG 3.33Å; Q208-L212 PolarHBondContact O-N 2.84Å
209F95.7Very high96Very high139 Ų139101.8 Ų101.861%0.6147%0.474SS*.Hα-helixtrans-62.7-45.9177.3-177-99.6000111.7Y205 I206 D207 R211 L212 Q213Y205-F209 WeakPolarHBondContact O-CB 3Å; Y205-F209 PolarHBondContact O-N 3.2Å; I206-F209 WeakPolarHBondContact O-CB 3.38Å; I206-F209 PolarHBondContact O-N 2.92Å; D207-F209 VanDerWaalsContact C-N 3.32Å; D207-F209 PolarHBondContact O-N 3.04Å; F209-R211 VanDerWaalsContact C-N 3.33Å; F209-R211 PolarHBondContact O-N 3.48Å; F209-L212 PolarHBondContact O-N 3.26Å; F209-Q213 WeakPolarHBondContact O-CB 3.38Å; F209-Q213 PolarHBondContact O-N 3.15Å
210K97.1Very high96.1Very high112 Ų112104.8 Ų104.849%0.48749%0.485SS..Hα-helixtrans-58.2-43.4174.5-71.6172.7-167.8155.10111.8I206 D207 Q213 H214I206-K210 HydrophobicContact CG2-CD 4.29Å; I206-K210 VanDerWaalsContact CG2-CE 3.43Å; I206-K210 WeakPolarHBondContact O-CG 3.4Å; I206-K210 PolarHBondContact O-N 3.4Å; D207-K210 PolarHBondContact O-N 2.92Å; D207-K210 IonicContact OD1-NZ 3.32Å; D207-K210 PolarHBondContact OD1-NZ 3.34Å; K210-Q213 PolarHBondContact O-N 3.41Å; K210-H214 PolarHBondContact O-N 2.76Å
211R97.1Very high96.3Very high168 Ų168109 Ų10963%0.63450%0.501SS*.Hα-helixtrans-61-47.7176.5179.9179.9179.6-95.73.6111.5D207 Q208 F209 Q213 H214 L215D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 PolarHBondContact O-N 3.08Å; Q208-R211 PolarHBondContact O-N 3.46Å; F209-R211 VanDerWaalsContact C-N 3.33Å; F209-R211 PolarHBondContact O-N 3.48Å; R211-Q213 VanDerWaalsContact C-N 3.32Å; R211-Q213 PolarHBondContact O-N 3.21Å; R211-H214 PolarHBondContact O-N 3.25Å; R211-L215 HydrophobicContact CG-CD1 4.29Å; R211-L215 WeakPolarHBondContact O-CG 3.42Å; R211-L215 PolarHBondContact O-N 2.78Å
212L97.2Very high96.4Very high95 Ų95111.8 Ų111.850%0.49751%0.505SS..Hα-helixtrans-61.8-41.5177.5-73.5171.3000111.5Q208 F209 H214 L215 L216Q208-L212 WeakPolarHBondContact O-CG 3.33Å; Q208-L212 PolarHBondContact O-N 2.84Å; F209-L212 PolarHBondContact O-N 3.26Å; L212-H214 PolarHBondContact O-N 2.68Å; L212-L215 PolarHBondContact O-N 3.17Å; L212-L216 WeakPolarHBondContact O-CB 3.34Å; L212-L216 WeakPolarHBondContact O-CG 3.29Å; L212-L216 PolarHBondContact O-N 3.2Å
213Q96.1Very high96.3Very high85 Ų85113 Ų11340%0.39751%0.506SS..Hα-helixtrans-63.4-41.7176.1-164.3-173.212.100111.8F209 K210 R211 L216 K217F209-Q213 WeakPolarHBondContact O-CB 3.38Å; F209-Q213 PolarHBondContact O-N 3.15Å; K210-Q213 PolarHBondContact O-N 3.41Å; R211-Q213 VanDerWaalsContact C-N 3.32Å; R211-Q213 PolarHBondContact O-N 3.21Å; Q213-L216 PolarHBondContact O-N 2.78Å; Q213-K217 WeakPolarHBondContact O-CG 3.27Å; Q213-K217 PolarHBondContact O-N 2.83Å
214H96.7Very high96.2Very high111 Ų111114 Ų11451%0.51451%0.507SS..Hα-helixtrans-60.7-49173.5-179.5-87000111.2K210 R211 L212 L216 K217 E218K210-H214 PolarHBondContact O-N 2.76Å; R211-H214 PolarHBondContact O-N 3.25Å; L212-H214 PolarHBondContact O-N 2.68Å; H214-L216 VanDerWaalsContact C-N 3.31Å; H214-L216 PolarHBondContact O-N 3.19Å; H214-K217 PolarHBondContact O-N 2.76Å; H214-K217 VanDerWaalsContact O-N 3.15Å; H214-E218 IonicContact CE1-OE2 3Å; H214-E218 PolarHBondContact CE1-OE2 2.81Å; H214-E218 IonicContact ND1-OE2 2.93Å; H214-E218 WeakPolarHBondContact O-CB 3.28Å; H214-E218 PolarHBondContact O-N 3.25Å
215L97.8Very high96.2Very high57 Ų57116.7 Ų116.730%0.29852%0.518SS..Hα-helixtrans-59.3-40.1177.7-73.9173000112.3R211 L212 E218 K219R211-L215 HydrophobicContact CG-CD1 4.29Å; R211-L215 WeakPolarHBondContact O-CG 3.42Å; R211-L215 PolarHBondContact O-N 2.78Å; L212-L215 PolarHBondContact O-N 3.17Å; L215-E218 PolarHBondContact O-N 3.46Å; L215-K219 VanDerWaalsContact O-CB 3.3Å; L215-K219 WeakPolarHBondContact O-CB 3.34Å; L215-K219 VanDerWaalsContact O-CG 3.31Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 3.29Å
216L96.9Very high95.8Very high125 Ų125114.2 Ų114.265%0.65451%0.514SS*.Hα-helixtrans-63.7-46.1174.7-77.2171.1000111.7L212 Q213 H214 E218 K219 K220L212-L216 WeakPolarHBondContact O-CB 3.34Å; L212-L216 WeakPolarHBondContact O-CG 3.29Å; L212-L216 PolarHBondContact O-N 3.2Å; Q213-L216 PolarHBondContact O-N 2.78Å; H214-L216 VanDerWaalsContact C-N 3.31Å; H214-L216 PolarHBondContact O-N 3.19Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 2.81Å; L216-K219 PolarHBondContact O-N 2.75Å; L216-K220 WeakPolarHBondContact O-CB 3.33Å; L216-K220 PolarHBondContact O-N 3.08Å
217K97.1Very high95.4Very high127 Ų127117.1 Ų117.155%0.55252%0.52SS*.Hα-helixtrans-61.3-41.7176.3-74.8175.4179.5175.60111.4Q213 H214 K220 R221Q213-K217 WeakPolarHBondContact O-CG 3.27Å; Q213-K217 PolarHBondContact O-N 2.83Å; H214-K217 PolarHBondContact O-N 2.76Å; H214-K217 VanDerWaalsContact O-N 3.15Å; K217-K220 PolarHBondContact O-N 2.76Å; K217-R221 WeakPolarHBondContact O-CB 3.49Å; K217-R221 PolarHBondContact O-N 2.86Å
218E97.1Very high94.9Very high55 Ų55119.4 Ų119.426%0.25753%0.526SS..Hα-helixtrans-69.6-45.8179.7-168.6176.9-178.200111.9H214 L215 L216 K220 R221 R222H214-E218 IonicContact CE1-OE2 3Å; H214-E218 PolarHBondContact CE1-OE2 2.81Å; H214-E218 IonicContact ND1-OE2 2.93Å; H214-E218 WeakPolarHBondContact O-CB 3.28Å; H214-E218 PolarHBondContact O-N 3.25Å; L215-E218 PolarHBondContact O-N 3.46Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 2.81Å; E218-K220 VanDerWaalsContact C-N 3.31Å; E218-K220 PolarHBondContact O-N 3.33Å; E218-R221 WeakPolarHBondContact O-CB 3.42Å; E218-R221 PolarHBondContact O-N 2.95Å; E218-R221 VanDerWaalsContact O-N 3.15Å; E218-R222 WeakPolarHBondContact O-CG 3.42Å; E218-R222 PolarHBondContact O-N 3.13Å; E218-R222 IonicContact OE1-CZ 2.79Å; E218-R222 IonicContact OE1-NE 2.76Å; E218-R222 IonicContact OE1-NH2 3.41Å; E218-R222 PolarHBondContact OE1-NH2 3.5Å
219K96Very high94.5Very high147 Ų147118.3 Ų118.364%0.63952%0.524SS*.Hα-helixtrans-59.5-41.1173.2-76.8-176.9177.3-1780111.6L215 L216 R222 Y223L215-K219 VanDerWaalsContact O-CB 3.3Å; L215-K219 WeakPolarHBondContact O-CB 3.34Å; L215-K219 VanDerWaalsContact O-CG 3.31Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 3.29Å; L216-K219 PolarHBondContact O-N 2.75Å; K219-R222 PolarHBondContact O-N 2.83Å; K219-Y223 WeakPolarHBondContact O-CB 3.31Å; K219-Y223 PolarHBondContact O-N 3.05Å
220K95.3Very high93.6Very high142 Ų142116.9 Ų116.962%0.61752%0.519SS*.Hα-helixtrans-61-45.6173.4-178.6-178.7177.4-178.40111.5L216 K217 E218 Y223 L224L216-K220 WeakPolarHBondContact O-CB 3.33Å; L216-K220 PolarHBondContact O-N 3.08Å; K217-K220 PolarHBondContact O-N 2.76Å; E218-K220 VanDerWaalsContact C-N 3.31Å; E218-K220 PolarHBondContact O-N 3.33Å; K220-Y223 PolarHBondContact O-N 2.96Å; K220-L224 HydrophobicContact CG-CD1 4.28Å; K220-L224 WeakPolarHBondContact O-CG 3.32Å; K220-L224 PolarHBondContact O-N 3.22Å
221R97.1Very high92.6Very high179 Ų179118.3 Ų118.368%0.67553%0.527SS*.Hα-helixtrans-59.3-50.4177.3-172.4-170.5-59.4-179.11.6111.2K217 E218 Y223 L224 Q225K217-R221 WeakPolarHBondContact O-CB 3.49Å; K217-R221 PolarHBondContact O-N 2.86Å; E218-R221 WeakPolarHBondContact O-CB 3.42Å; E218-R221 PolarHBondContact O-N 2.95Å; E218-R221 VanDerWaalsContact O-N 3.15Å; R221-Y223 VanDerWaalsContact C-N 3.34Å; R221-Y223 PolarHBondContact O-N 3.49Å; R221-L224 PolarHBondContact O-N 3.39Å; R221-Q225 WeakPolarHBondContact O-CB 3.28Å; R221-Q225 PolarHBondContact O-N 3.46Å
222R96.1Very high91.7Very high138 Ų138115.2 Ų115.252%0.52152%0.52SS..Hα-helixtrans-60-42.9177.3-68.1-179-168-174.43.3111.7E218 K219 L224 Q225 N226E218-R222 WeakPolarHBondContact O-CG 3.42Å; E218-R222 PolarHBondContact O-N 3.13Å; E218-R222 IonicContact OE1-CZ 2.79Å; E218-R222 IonicContact OE1-NE 2.76Å; E218-R222 IonicContact OE1-NH2 3.41Å; E218-R222 PolarHBondContact OE1-NH2 3.5Å; K219-R222 PolarHBondContact O-N 2.83Å; R222-L224 PolarHBondContact O-N 3.45Å; R222-Q225 PolarHBondContact O-N 3.46Å; R222-N226 WeakPolarHBondContact O-CB 3.37Å; R222-N226 PolarHBondContact O-N 2.96Å; R222-N226 PolarHBondContact O-OD1 3.27Å
223Y93.1Very high90.6Very high146 Ų146114.4 Ų114.457%0.57352%0.519SS*.Hα-helixtrans-60.1-46.6175.9172.4-99.4000112.3K219 K220 R221 Q225 N226 R227K219-Y223 WeakPolarHBondContact O-CB 3.31Å; K219-Y223 PolarHBondContact O-N 3.05Å; K220-Y223 PolarHBondContact O-N 2.96Å; R221-Y223 VanDerWaalsContact C-N 3.34Å; R221-Y223 PolarHBondContact O-N 3.49Å; Y223-Q225 VanDerWaalsContact C-N 3.34Å; Y223-Q225 PolarHBondContact O-N 2.84Å; Y223-N226 PolarHBondContact O-N 3.41Å; Y223-R227 VanDerWaalsContact O-CB 3.29Å; Y223-R227 WeakPolarHBondContact O-CB 3.45Å; Y223-R227 PolarHBondContact O-N 2.9Å
224L92.9Very high89.1Confident74 Ų74115.3 Ų115.339%0.38753%0.526SS..Hα-helixtrans-65.2-38.7178.1-70.2175.1000111.9K220 R221 R222 R227 K228K220-L224 HydrophobicContact CG-CD1 4.28Å; K220-L224 WeakPolarHBondContact O-CG 3.32Å; K220-L224 PolarHBondContact O-N 3.22Å; R221-L224 PolarHBondContact O-N 3.39Å; R222-L224 PolarHBondContact O-N 3.45Å; L224-R227 PolarHBondContact O-N 3.4Å; L224-K228 WeakPolarHBondContact O-CB 3.29Å; L224-K228 PolarHBondContact O-N 3.45Å
225Q93.6Very high87.2Confident128 Ų128110.8 Ų110.860%0.59851%0.509SS*.Hα-helixtrans-64.1-47.3175.4-173.1175.616.100111.5R221 R222 Y223 R227 K228 L229R221-Q225 WeakPolarHBondContact O-CB 3.28Å; R221-Q225 PolarHBondContact O-N 3.46Å; R222-Q225 PolarHBondContact O-N 3.46Å; Y223-Q225 VanDerWaalsContact C-N 3.34Å; Y223-Q225 PolarHBondContact O-N 2.84Å; Q225-R227 PolarHBondContact O-N 2.94Å; Q225-K228 WeakPolarHBondContact O-CB 3.31Å; Q225-K228 PolarHBondContact O-N 3.49Å; Q225-L229 WeakPolarHBondContact O-CB 3.3Å; Q225-L229 PolarHBondContact O-N 2.87Å
226N89.7Confident85.1Confident92 Ų92111.4 Ų111.449%0.49252%0.518SS..Hα-helixtrans-62.5-42.6175.7-73.52.8000111.3R222 Y223 K228 L229 E230R222-N226 WeakPolarHBondContact O-CB 3.37Å; R222-N226 PolarHBondContact O-N 2.96Å; R222-N226 PolarHBondContact O-OD1 3.27Å; Y223-N226 PolarHBondContact O-N 3.41Å; N226-K228 VanDerWaalsContact C-N 3.29Å; N226-K228 PolarHBondContact O-N 2.85Å; N226-L229 PolarHBondContact O-N 2.84Å; N226-E230 WeakPolarHBondContact O-CB 3.49Å; N226-E230 WeakPolarHBondContact O-CG 3.49Å; N226-E230 PolarHBondContact O-N 3.32Å
227R87.1Confident83Confident138 Ų138107.6 Ų107.652%0.52150%0.502SS..Hα-helixtrans-62-38.3176.1-165.5-175.786.2-177.86.5111.9Y223 L224 Q225 H231Y223-R227 VanDerWaalsContact O-CB 3.29Å; Y223-R227 WeakPolarHBondContact O-CB 3.45Å; Y223-R227 PolarHBondContact O-N 2.9Å; L224-R227 PolarHBondContact O-N 3.4Å; Q225-R227 PolarHBondContact O-N 2.94Å; R227-H231 VanDerWaalsContact O-CB 3.28Å; R227-H231 WeakPolarHBondContact O-CB 3.44Å; R227-H231 PolarHBondContact O-N 2.68Å
228K87.1Confident80.9Confident133 Ų133106.6 Ų106.658%0.57850%0.502SS*.Hα-helixtrans-65.9-45.8174.7-179.1177.7170.7-179.90110.7L224 Q225 N226 H231 E232L224-K228 WeakPolarHBondContact O-CB 3.29Å; L224-K228 PolarHBondContact O-N 3.45Å; Q225-K228 WeakPolarHBondContact O-CB 3.31Å; Q225-K228 PolarHBondContact O-N 3.49Å; N226-K228 VanDerWaalsContact C-N 3.29Å; N226-K228 PolarHBondContact O-N 2.85Å; K228-H231 CarbonylContact O-C 3.58Å; K228-H231 WeakPolarHBondContact O-CB 3.38Å; K228-H231 PolarHBondContact O-N 2.85Å; K228-H231 VanDerWaalsContact O-N 3.15Å; K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 IonicContact NZ-OE1 2.59Å; K228-E232 WeakPolarHBondContact O-CG 3.49Å; K228-E232 PolarHBondContact O-N 3.01Å
229L87Confident78.5Confident94 Ų94111.2 Ų111.249%0.49253%0.527SS..Hα-helixtrans-62-46.4176.4-175.2153.6000111.5Q225 N226 H231 E232 T233Q225-L229 WeakPolarHBondContact O-CB 3.3Å; Q225-L229 PolarHBondContact O-N 2.87Å; N226-L229 PolarHBondContact O-N 2.84Å; L229-H231 VanDerWaalsContact C-N 3.27Å; L229-H231 PolarHBondContact O-N 3.49Å; L229-E232 PolarHBondContact O-N 3.48Å; L229-T233 HydrophobicContact CD2-CG2 3.84Å; L229-T233 HydrophobicContact CG-CG2 4.3Å; L229-T233 WeakPolarHBondContact O-CB 3.34Å; L229-T233 VanDerWaalsContact O-CG2 3.29Å; L229-T233 WeakPolarHBondContact O-CG2 3.47Å; L229-T233 PolarHBondContact O-N 2.88Å; L229-T233 PolarHBondContact O-OG1 2.76Å
230E78.7Confident76.3Confident108 Ų108108.4 Ų108.451%0.50552%0.523SS..Hα-helixtrans-57.3-42.2172.5-76.5176.9-176.100110.9N226 T233 L234N226-E230 WeakPolarHBondContact O-CB 3.49Å; N226-E230 WeakPolarHBondContact O-CG 3.49Å; N226-E230 PolarHBondContact O-N 3.32Å; E230-T233 WeakPolarHBondContact CA-OG1 3.5Å; E230-T233 PolarHBondContact O-OG1 3.34Å; E230-L234 HydrophobicContact CB-CD1 4.31Å; E230-L234 WeakPolarHBondContact O-CA 3.39Å; E230-L234 WeakPolarHBondContact O-CB 3.25Å; E230-L234 WeakPolarHBondContact O-CG 3.39Å; E230-L234 PolarHBondContact O-N 2.81Å
231H75.5Confident74.4Confident142 Ų142103.5 Ų103.566%0.65751%0.513SS*.Hα-helixtrans-67.5-37.6176.2-173.1-80.9000112.6R227 K228 L229 G235R227-H231 VanDerWaalsContact O-CB 3.28Å; R227-H231 WeakPolarHBondContact O-CB 3.44Å; R227-H231 PolarHBondContact O-N 2.68Å; K228-H231 CarbonylContact O-C 3.58Å; K228-H231 WeakPolarHBondContact O-CB 3.38Å; K228-H231 PolarHBondContact O-N 2.85Å; K228-H231 VanDerWaalsContact O-N 3.15Å; L229-H231 VanDerWaalsContact C-N 3.27Å; L229-H231 PolarHBondContact O-N 3.49Å; H231-G235 WeakPolarHBondContact O-CA 3.41Å; H231-G235 PolarHBondContact O-N 3.27Å
232E77.6Confident72.3Confident104 Ų10499.4 Ų99.449%0.48651%0.509SS..Hα-helixtrans-72-40.9177.5-73.3170.7172.600111.6K228 L229 S236K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 IonicContact NZ-OE1 2.59Å; K228-E232 WeakPolarHBondContact O-CG 3.49Å; K228-E232 PolarHBondContact O-N 3.01Å; L229-E232 PolarHBondContact O-N 3.48Å; E232-S236 VanDerWaalsContact O-CB 3.27Å; E232-S236 WeakPolarHBondContact O-CB 3.35Å; E232-S236 PolarHBondContact O-N 3.07Å; E232-S236 PolarHBondContact O-OG 2.79Å
233T74.6Confident70.4Confident78 Ų78102.1 Ų102.148%0.47953%0.528SS..Hα-helixtrans-75.8-48.1179.753.20000112.6L229 E230L229-T233 HydrophobicContact CD2-CG2 3.84Å; L229-T233 HydrophobicContact CG-CG2 4.3Å; L229-T233 WeakPolarHBondContact O-CB 3.34Å; L229-T233 VanDerWaalsContact O-CG2 3.29Å; L229-T233 WeakPolarHBondContact O-CG2 3.47Å; L229-T233 PolarHBondContact O-N 2.88Å; L229-T233 PolarHBondContact O-OG1 2.76Å; E230-T233 WeakPolarHBondContact CA-OG1 3.5Å; E230-T233 PolarHBondContact O-OG1 3.34Å
234L63.6Low68.6Low104 Ų10497.8 Ų97.855%0.54553%0.528SS..Hα-helixtrans-87.1-29-179.7-56.9169.8000112.7E230 S236 S237 L238E230-L234 HydrophobicContact CB-CD1 4.31Å; E230-L234 WeakPolarHBondContact O-CA 3.39Å; E230-L234 WeakPolarHBondContact O-CB 3.25Å; E230-L234 WeakPolarHBondContact O-CG 3.39Å; E230-L234 PolarHBondContact O-N 2.81Å; L234-S236 VanDerWaalsContact C-N 3.32Å; L234-S237 WeakPolarHBondContact O-CB 3.4Å; L234-S237 PolarHBondContact O-N 3.18Å; L234-S237 VanDerWaalsContact O-N 3.17Å; L234-L238 PolarHBondContact O-N 3.47Å
235G57.9Low67.2Low15 Ų1596.6 Ų96.616%0.15552%0.522CS..Hα-helixtrans-67.8-33.117300000112.1H231 S237 L238 L239H231-G235 WeakPolarHBondContact O-CA 3.41Å; H231-G235 PolarHBondContact O-N 3.27Å; G235-S237 VanDerWaalsContact C-N 3.31Å; G235-L238 PolarHBondContact O-N 2.91Å; G235-L239 WeakPolarHBondContact O-CG 3.36Å; G235-L239 PolarHBondContact O-N 3.29Å; G235-L239 VanDerWaalsContact O-N 3.08Å
236S52.8Low66.3Low71 Ų7193.7 Ų93.750%0.49752%0.515SS..Hα-helixtrans-66.8-31.9168.6-64.40000112.6E232 L234 L239 T240E232-S236 VanDerWaalsContact O-CB 3.27Å; E232-S236 WeakPolarHBondContact O-CB 3.35Å; E232-S236 PolarHBondContact O-N 3.07Å; E232-S236 PolarHBondContact O-OG 2.79Å; L234-S236 VanDerWaalsContact C-N 3.32Å; S236-L239 PolarHBondContact O-N 3.5Å; S236-T240 PolarHBondContact O-N 3.35Å; S236-T240 PolarHBondContact O-OG1 3.41Å
237S53Low65.6Low45 Ų4595.9 Ų95.932%0.31553%0.525SS..Hα-helixtrans-72.2-25.3173.8-177.60000113.2L234 G235 T240L234-S237 WeakPolarHBondContact O-CB 3.4Å; L234-S237 PolarHBondContact O-N 3.18Å; L234-S237 VanDerWaalsContact O-N 3.17Å; G235-S237 VanDerWaalsContact C-N 3.31Å; S237-T240 VanDerWaalsContact O-O 3.06Å
238L52.5Low65.3Low105 Ų10596.4 Ų96.455%0.5553%0.53SS..Hα-helixtrans-84.9-20172.6-71.3172.3000113.7L234 G235 L253L234-L238 PolarHBondContact O-N 3.47Å; G235-L238 PolarHBondContact O-N 2.91Å; L238-L253 HydrophobicContact CD2-CD1 4.27Å
239L46.6Very low64.9Low152 Ų15294.7 Ų94.780%0.79653%0.525SS*.Hα-helixtrans-81.5-22.4172.2-77163.2000112.5G235 S236 G241G235-L239 WeakPolarHBondContact O-CG 3.36Å; G235-L239 PolarHBondContact O-N 3.29Å; G235-L239 VanDerWaalsContact O-N 3.08Å; S236-L239 PolarHBondContact O-N 3.5Å; L239-G241 PolarHBondContact O-N 2.89Å
240T50.6Low64.2Low88 Ų8895.8 Ų95.854%0.5452%0.522SS..SBendtrans-78.9113.7162.1-43.60000106.2S236 S237S236-T240 PolarHBondContact O-N 3.35Å; S236-T240 PolarHBondContact O-OG1 3.41Å; S237-T240 VanDerWaalsContact O-O 3.06Å
241G55Low64.3Low40 Ų4095.6 Ų95.641%0.41252%0.521SS..  trans-53.4175-177.400000113.8L239 E243 G244L239-G241 PolarHBondContact O-N 2.89Å; G241-E243 PolarHBondContact O-N 3.26Å; G241-G244 PolarHBondContact O-N 3.47Å
242P53Low64.4Low92 Ų9292.1 Ų92.160%0.59751%0.508SS*.THydrogen-bonded Turntrans-58.78.3-17524.4-34.9000116.6
243E55.8Low64.4Low195 Ų19589.6 Ų89.691%0.91150%0.497SS*.THydrogen-bonded Turntrans-94.6-13.7-179.7-56.3-151156.300113.8G241G241-E243 PolarHBondContact O-N 3.26Å
244G56.9Low64.6Low56 Ų5691 Ų9158%0.57750%0.496SS*.SBendtrans-94.7-9.7179.400000115.9G241G241-G244 PolarHBondContact O-N 3.47Å
245L62.9Low65.3Low48 Ų4890.1 Ų90.125%0.25149%0.488SS..SBendtrans-98.9133.4-173.8-65.8173.4000111.5E249L245-E249 WeakPolarHBondContact CA-OE2 3.44Å; L245-E249 HydrophobicContact CB-CB 4.26Å; L245-E249 HydrophobicContact CD2-CB 4.28Å
246S75Confident66.3Low67 Ų6794.3 Ų94.347%0.46951%0.507SS..  trans-56.2149.1169.41740000110.9K248 E249 R250S246-K248 PolarHBondContact O-N 2.92Å; S246-K248 VanDerWaalsContact O-N 3.12Å; S246-E249 WeakPolarHBondContact CB-OE2 3.47Å; S246-E249 PolarHBondContact N-OE2 3.3Å; S246-E249 WeakPolarHBondContact O-CB 3.41Å; S246-E249 PolarHBondContact O-N 3.3Å; S246-R250 PolarHBondContact O-N 2.93Å
247M75.2Confident67.3Low139 Ų13996 Ų9669%0.68551%0.505SS*.Hα-helixtrans-52.3-37.1176.6-77.1-74.6-76.100112R250 E251M247-R250 PolarHBondContact O-N 3.41Å; M247-E251 WeakPolarHBondContact O-CG 3.4Å; M247-E251 PolarHBondContact O-N 3.5Å; M247-E251 VanDerWaalsContact O-N 3.13Å
248K79.9Confident68.4Low148 Ų14894.4 Ų94.464%0.64349%0.494SS*.Hα-helixtrans-66.7-41.7176.1-171.9176-178.7-179.40112.2S246 R250 E251 N252S246-K248 PolarHBondContact O-N 2.92Å; S246-K248 VanDerWaalsContact O-N 3.12Å; K248-R250 VanDerWaalsContact C-N 3.33Å; K248-R250 PolarHBondContact O-N 2.88Å; K248-E251 PolarHBondContact O-N 3.26Å; K248-N252 WeakPolarHBondContact O-CB 3.35Å; K248-N252 PolarHBondContact O-N 3.34Å; K248-N252 PolarHBondContact O-ND2 3.45Å
249E78Confident69.5Low98 Ų9893 Ų9346%0.45849%0.487SS..Hα-helixtrans-66.7-37.5177.5-66172149.200111.4L245 S246 E251 N252 L253L245-E249 WeakPolarHBondContact CA-OE2 3.44Å; L245-E249 HydrophobicContact CB-CB 4.26Å; L245-E249 HydrophobicContact CD2-CB 4.28Å; S246-E249 WeakPolarHBondContact CB-OE2 3.47Å; S246-E249 PolarHBondContact N-OE2 3.3Å; S246-E249 WeakPolarHBondContact O-CB 3.41Å; S246-E249 PolarHBondContact O-N 3.3Å; E249-E251 PolarHBondContact O-N 2.9Å; E249-N252 PolarHBondContact O-N 2.89Å; E249-L253 VanDerWaalsContact O-CB 3.32Å; E249-L253 WeakPolarHBondContact O-CB 3.4Å; E249-L253 PolarHBondContact O-N 2.81Å
250R74.2Confident70.6Confident117 Ų11793.6 Ų93.644%0.44248%0.479SS..Hα-helixtrans-64.9-39175.6-169.1174.6-176.5167.80.9112.2S246 M247 K248 K254S246-R250 PolarHBondContact O-N 2.93Å; M247-R250 PolarHBondContact O-N 3.41Å; K248-R250 VanDerWaalsContact C-N 3.33Å; K248-R250 PolarHBondContact O-N 2.88Å; R250-K254 VanDerWaalsContact O-CG 3.31Å; R250-K254 WeakPolarHBondContact O-CG 3.42Å; R250-K254 PolarHBondContact O-N 2.98Å; R250-K254 VanDerWaalsContact O-N 3.15Å
251E79.9Confident71.3Confident103 Ų10397.4 Ų97.448%0.48148%0.483SS..Hα-helixtrans-69-42.5173.9-73.5179.3-179.100111.8M247 K248 E249 L253 K254 K255M247-E251 WeakPolarHBondContact O-CG 3.4Å; M247-E251 PolarHBondContact O-N 3.5Å; M247-E251 VanDerWaalsContact O-N 3.13Å; K248-E251 PolarHBondContact O-N 3.26Å; E249-E251 PolarHBondContact O-N 2.9Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L253 PolarHBondContact O-N 3.15Å; E251-K254 WeakPolarHBondContact O-CB 2.83Å; E251-K254 PolarHBondContact O-N 3.46Å; E251-K254 VanDerWaalsContact O-N 3.16Å; E251-K255 WeakPolarHBondContact O-CG 3.37Å; E251-K255 PolarHBondContact O-N 3.15Å
252N77.9Confident71.8Confident70 Ų70101.7 Ų101.737%0.37449%0.488SS..Hα-helixtrans-62.2-40.7175.3-72.1-16.2000112.1K248 E249 K254 K255 L256K248-N252 WeakPolarHBondContact O-CB 3.35Å; K248-N252 PolarHBondContact O-N 3.34Å; K248-N252 PolarHBondContact O-ND2 3.45Å; E249-N252 PolarHBondContact O-N 2.89Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 3.31Å; N252-K255 PolarHBondContact O-N 2.92Å; N252-L256 WeakPolarHBondContact O-CB 3.5Å; N252-L256 PolarHBondContact O-N 2.92Å
253L77.7Confident72.4Confident50 Ų50108.3 Ų108.326%0.26250%0.501SS..Hα-helixtrans-62-40.5174.3-169.8100.8000111.4L238 E249 E251 L256 K257L238-L253 HydrophobicContact CD2-CD1 4.27Å; E249-L253 VanDerWaalsContact O-CB 3.32Å; E249-L253 WeakPolarHBondContact O-CB 3.4Å; E249-L253 PolarHBondContact O-N 2.81Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L253 PolarHBondContact O-N 3.15Å; L253-L256 PolarHBondContact O-N 3.32Å; L253-K257 HydrophobicContact CD2-CD 4.19Å; L253-K257 HydrophobicContact CG-CD 4.35Å; L253-K257 WeakPolarHBondContact O-CB 3.26Å; L253-K257 VanDerWaalsContact O-CG 3.26Å; L253-K257 WeakPolarHBondContact O-CG 3.41Å; L253-K257 PolarHBondContact O-N 3.43Å
254K77.5Confident73.3Confident107 Ų107107.4 Ų107.447%0.46549%0.489SS..Hα-helixtrans-64-43.9174.9-73.3170.6-177.2176.60111.3P110 R250 E251 N252 K257 A258P110-K254 HydrophobicContact CG-CB 4.31Å; R250-K254 VanDerWaalsContact O-CG 3.31Å; R250-K254 WeakPolarHBondContact O-CG 3.42Å; R250-K254 PolarHBondContact O-N 2.98Å; R250-K254 VanDerWaalsContact O-N 3.15Å; E251-K254 WeakPolarHBondContact O-CB 2.83Å; E251-K254 PolarHBondContact O-N 3.46Å; E251-K254 VanDerWaalsContact O-N 3.16Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 3.31Å; K254-K257 PolarHBondContact O-N 3.35Å; K254-A258 PolarHBondContact O-N 3.41Å
255K80.1Confident74.2Confident87 Ų87111.4 Ų111.438%0.37849%0.487SS..Hα-helixtrans-61.9-46.6175.4-68.1179.9-179.4178.70111.6P110 L115 E251 N252 K257 A258 L259P110-K255 HydrophobicContact CB-CG 4.49Å; P110-K255 HydrophobicContact CG-CG 4.45Å; L115-K255 HydrophobicContact CD1-CB 4.15Å; L115-K255 HydrophobicContact CD1-CG 4.32Å; L115-K255 HydrophobicContact CD2-CD 4.19Å; L115-K255 HydrophobicContact CD2-CG 3.97Å; E251-K255 WeakPolarHBondContact O-CG 3.37Å; E251-K255 PolarHBondContact O-N 3.15Å; N252-K255 PolarHBondContact O-N 2.92Å; K255-K257 PolarHBondContact O-N 2.88Å; K255-A258 WeakPolarHBondContact O-CB 3.29Å; K255-A258 PolarHBondContact O-N 3.06Å; K255-L259 WeakPolarHBondContact O-CG 3.3Å; K255-L259 PolarHBondContact O-N 3.22Å
256L76.9Confident75Confident103 Ų103115 Ų11554%0.53950%0.498SS..Hα-helixtrans-60.5-43.9175.7-93158.8000112.3N252 L253 A258 L259 R260N252-L256 WeakPolarHBondContact O-CB 3.5Å; N252-L256 PolarHBondContact O-N 2.92Å; L253-L256 PolarHBondContact O-N 3.32Å; L256-A258 VanDerWaalsContact C-N 3.31Å; L256-A258 PolarHBondContact O-N 3.27Å; L256-L259 PolarHBondContact O-N 2.75Å; L256-R260 WeakPolarHBondContact O-CG 3.49Å; L256-R260 PolarHBondContact O-N 3.47Å
257K75.1Confident75.5Confident106 Ų106114.3 Ų114.346%0.46150%0.502SS..Hα-helixtrans-63.3-36.9176.2-77.1177.8177.1-176.30111.9L253 K254 K255L253-K257 HydrophobicContact CD2-CD 4.19Å; L253-K257 HydrophobicContact CG-CD 4.35Å; L253-K257 WeakPolarHBondContact O-CB 3.26Å; L253-K257 VanDerWaalsContact O-CG 3.26Å; L253-K257 WeakPolarHBondContact O-CG 3.41Å; L253-K257 PolarHBondContact O-N 3.43Å; K254-K257 PolarHBondContact O-N 3.35Å; K255-K257 PolarHBondContact O-N 2.88Å
258A75.8Confident76Confident11 Ų11112.8 Ų112.89%0.09150%0.5CS..Hα-helixtrans-65.3-46.9172.700000111.3P110 P112 L115 K254 K255 L256 R260 R261P110-A258 WeakPolarHBondContact O-CB 3.43Å; P112-A258 WeakPolarHBondContact CG-O 3.29Å; L115-A258 HydrophobicContact CD1-CB 4Å; K254-A258 PolarHBondContact O-N 3.41Å; K255-A258 WeakPolarHBondContact O-CB 3.29Å; K255-A258 PolarHBondContact O-N 3.06Å; L256-A258 VanDerWaalsContact C-N 3.31Å; L256-A258 PolarHBondContact O-N 3.27Å; A258-R260 VanDerWaalsContact C-N 3.28Å; A258-R260 PolarHBondContact O-N 3.28Å; A258-R261 WeakPolarHBondContact O-CB 3.34Å; A258-R261 PolarHBondContact O-N 3.39Å
259L75.5Confident76.2Confident75 Ų75111.9 Ų111.939%0.39350%0.498SS..Hα-helixtrans-65.5-24.9179.9-69172.2000114.1L115 K255 L256 R261 Y262L115-L259 HydrophobicContact CD1-CD2 4.22Å; L115-L259 HydrophobicContact CD1-CG 4.07Å; K255-L259 WeakPolarHBondContact O-CG 3.3Å; K255-L259 PolarHBondContact O-N 3.22Å; L256-L259 PolarHBondContact O-N 2.75Å; L259-R261 PolarHBondContact O-N 3.39Å; L259-Y262 WeakPolarHBondContact O-CB 3.43Å; L259-Y262 PolarHBondContact O-N 3.4Å; L259-Y262 VanDerWaalsContact O-N 3.08Å
260R69.6Low76.7Confident166 Ų166108.8 Ų108.863%0.62649%0.489SS*.Hα-helixtrans-60.1-26.4171.8-74.1-179.2-153.7-158.43.2112.9L256 A258L256-R260 WeakPolarHBondContact O-CG 3.49Å; L256-R260 PolarHBondContact O-N 3.47Å; A258-R260 VanDerWaalsContact C-N 3.28Å; A258-R260 PolarHBondContact O-N 3.28Å
261R66.1Low77.4Confident167 Ų167108.2 Ų108.263%0.6350%0.495SS*.Hα-helixtrans-81.8-21.2177.6-60.8-178.7178.7-175.4-3.5112.4P112 A258 L259 R263 R264 Y266P112-R261 HydrophobicContact CG-CB 4.3Å; A258-R261 WeakPolarHBondContact O-CB 3.34Å; A258-R261 PolarHBondContact O-N 3.39Å; L259-R261 PolarHBondContact O-N 3.39Å; R261-R263 PolarHBondContact O-N 2.96Å; R261-R264 PolarHBondContact O-N 2.85Å; R261-R264 VanDerWaalsContact O-O 3.08Å; R261-Y266 HydrophobicContact CB-CE2 4.02Å; R261-Y266 HydrophobicContact CG-CE2 4.43Å
262Y65.8Low78Confident130 Ų130108.1 Ų108.151%0.5150%0.497SS..Hα-helixtrans-63.2-38-172.4175.8-124.4000114.4L116 L259L116-Y262 HydrophobicContact CD1-CD2 3.44Å; L116-Y262 VanDerWaalsContact CD1-CD2 3.44Å; L116-Y262 HydrophobicContact CD1-CE1 4.4Å; L116-Y262 HydrophobicContact CD1-CE2 3.08Å; L116-Y262 HydrophobicContact CD1-CG 4.25Å; L116-Y262 HydrophobicContact CD2-CE1 4.04Å; L116-Y262 HydrophobicContact CD2-CE2 4.17Å; L116-Y262 HydrophobicContact CG-CE2 4.21Å; L259-Y262 WeakPolarHBondContact O-CB 3.43Å; L259-Y262 PolarHBondContact O-N 3.4Å; L259-Y262 VanDerWaalsContact O-N 3.08Å
263R65.2Low78.4Confident232 Ų232108.5 Ų108.588%0.87550%0.496SS*.THydrogen-bonded Turntrans-93.4-1.7179.7-70.3-172.9177.6-176.2-0.1114R261R261-R263 PolarHBondContact O-N 2.96Å
264R73.9Confident78.8Confident176 Ų176113.6 Ų113.666%0.66451%0.512SS*.SBendtrans-101125.9178.3-73.3-175.1-176.5-162.62.4108.1R261 Y266R261-R264 PolarHBondContact O-N 2.85Å; R261-R264 VanDerWaalsContact O-O 3.08Å; R264-Y266 HydrophobicContact CB-CD2 4.35Å; R264-Y266 HydrophobicContact CB-CE1 4.46Å; R264-Y266 HydrophobicContact CB-CE2 3.51Å; R264-Y266 WeakPolarHBondContact CD-OH 3.42Å; R264-Y266 WeakPolarHBondContact O-CD2 3.26Å; R264-Y266 WeakPolarHBondContact O-CE2 3.43Å
265R77.1Confident79.4Confident139 Ų139114.1 Ų114.153%0.52552%0.516SS..  trans-77.5140.8171.5-58.6-178.5-170.1-159.22.1108.1E269 A270 H273R265-E269 HydrophobicContact CB-CB 4.21Å; R265-A270 HydrophobicContact CB-CB 4.17Å; R265-A270 WeakPolarHBondContact O-CB 3.29Å; R265-H273 PolarHBondContact NH1-CD2 3.35Å
266Y79.3Confident79.9Confident123 Ų123112.6 Ų112.648%0.48251%0.512SS..  trans-128.9157.8179.5-65-83.8000110.6R261 R264 V268 E269R261-Y266 HydrophobicContact CB-CE2 4.02Å; R261-Y266 HydrophobicContact CG-CE2 4.43Å; R264-Y266 HydrophobicContact CB-CD2 4.35Å; R264-Y266 HydrophobicContact CB-CE1 4.46Å; R264-Y266 HydrophobicContact CB-CE2 3.51Å; R264-Y266 WeakPolarHBondContact CD-OH 3.42Å; R264-Y266 WeakPolarHBondContact O-CD2 3.26Å; R264-Y266 WeakPolarHBondContact O-CE2 3.43Å; Y266-V268 PolarHBondContact O-N 3.25Å; Y266-E269 PolarHBondContact O-N 2.89Å
267G84.8Confident80.4Confident54 Ų54115.2 Ų115.256%0.55752%0.515SS*.THydrogen-bonded Turntrans57.5-134.1177.900000112.7E269 A270 L271G267-E269 VanDerWaalsContact C-N 3.29Å; G267-E269 PolarHBondContact O-N 3.48Å; G267-A270 WeakPolarHBondContact O-CB 3.47Å; G267-A270 PolarHBondContact O-N 3.32Å; G267-A270 VanDerWaalsContact O-N 3.09Å; G267-L271 PolarHBondContact O-N 2.98Å
268V86Confident80.9Confident106 Ų106114.1 Ų114.164%0.64251%0.511SS*.Hα-helixtrans-58.5-39.2-174.6-1760000112Y266 A270 L271 L272Y266-V268 PolarHBondContact O-N 3.25Å; V268-A270 VanDerWaalsContact C-N 3.31Å; V268-A270 PolarHBondContact O-N 3.45Å; V268-L271 PolarHBondContact O-N 3.45Å; V268-L272 HydrophobicContact CG1-CD1 4.05Å; V268-L272 HydrophobicContact CG1-CG 4.3Å; V268-L272 WeakPolarHBondContact O-CG 3.11Å; V268-L272 PolarHBondContact O-N 3.45Å
269E83.3Confident81.4Confident130 Ų130121.9 Ų121.961%0.60754%0.538SS*.Hα-helixtrans-64.9-34178.7-63.9-173.5166.300113.1R265 Y266 G267 H273R265-E269 HydrophobicContact CB-CB 4.21Å; Y266-E269 PolarHBondContact O-N 2.89Å; G267-E269 VanDerWaalsContact C-N 3.29Å; G267-E269 PolarHBondContact O-N 3.48Å; E269-H273 VanDerWaalsContact O-CB 3.29Å; E269-H273 WeakPolarHBondContact O-CB 3.45Å; E269-H273 PolarHBondContact O-N 3.13Å
270A88.3Confident81.7Confident33 Ų33126 Ų12627%0.27355%0.548SS..Hα-helixtrans-69-40.8176.100000111.1R265 G267 V268 H273 R274R265-A270 HydrophobicContact CB-CB 4.17Å; R265-A270 WeakPolarHBondContact O-CB 3.29Å; G267-A270 WeakPolarHBondContact O-CB 3.47Å; G267-A270 PolarHBondContact O-N 3.32Å; G267-A270 VanDerWaalsContact O-N 3.09Å; V268-A270 VanDerWaalsContact C-N 3.31Å; V268-A270 PolarHBondContact O-N 3.45Å; A270-H273 PolarHBondContact O-N 2.94Å; A270-R274 WeakPolarHBondContact O-CB 3.21Å; A270-R274 PolarHBondContact O-N 3.39Å
271L90.7Very high82Confident105 Ų105122.3 Ų122.355%0.5554%0.538SS..Hα-helixtrans-65.4-46.4177.2-64.3177.2000111.4G267 V268 H273 R274 Q275G267-L271 PolarHBondContact O-N 2.98Å; V268-L271 PolarHBondContact O-N 3.45Å; L271-H273 VanDerWaalsContact C-N 3.34Å; L271-H273 PolarHBondContact O-N 3.31Å; L271-R274 WeakPolarHBondContact O-CB 3.24Å; L271-R274 PolarHBondContact O-N 3.01Å; L271-Q275 WeakPolarHBondContact O-CG 3.42Å; L271-Q275 PolarHBondContact O-N 3.28Å
272L90.9Very high82.5Confident101 Ų101117.4 Ų117.453%0.52953%0.533SS..Hα-helixtrans-63.1-40.1176.5-69.2174.5000111.9V268 R274 Q275 L276V268-L272 HydrophobicContact CG1-CD1 4.05Å; V268-L272 HydrophobicContact CG1-CG 4.3Å; V268-L272 WeakPolarHBondContact O-CG 3.11Å; V268-L272 PolarHBondContact O-N 3.45Å; L272-R274 VanDerWaalsContact C-N 3.35Å; L272-Q275 PolarHBondContact O-N 2.92Å; L272-L276 VanDerWaalsContact O-CB 3.3Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 PolarHBondContact O-N 2.9Å
273H86.1Confident82.7Confident77 Ų77116.7 Ų116.736%0.35654%0.542SS..Hα-helixtrans-66.3-37.7175.4-173.9-101.1000112.1R265 E269 A270 L271 R277R265-H273 PolarHBondContact NH1-CD2 3.35Å; E269-H273 VanDerWaalsContact O-CB 3.29Å; E269-H273 WeakPolarHBondContact O-CB 3.45Å; E269-H273 PolarHBondContact O-N 3.13Å; A270-H273 PolarHBondContact O-N 2.94Å; L271-H273 VanDerWaalsContact C-N 3.34Å; L271-H273 PolarHBondContact O-N 3.31Å; H273-R277 WeakPolarHBondContact O-CB 3.43Å; H273-R277 PolarHBondContact O-N 2.81Å
274R88Confident82.9Confident157 Ų157110.2 Ų110.259%0.59253%0.528SS*.Hα-helixtrans-63.7-50.4173.3178.2179.2172.3176.8-0.5111.1A270 L271 L272 L276 R277 E278A270-R274 WeakPolarHBondContact O-CB 3.21Å; A270-R274 PolarHBondContact O-N 3.39Å; L271-R274 WeakPolarHBondContact O-CB 3.24Å; L271-R274 PolarHBondContact O-N 3.01Å; L272-R274 VanDerWaalsContact C-N 3.35Å; R274-L276 VanDerWaalsContact C-N 3.32Å; R274-L276 PolarHBondContact O-N 3.36Å; R274-R277 CarbonylContact O-C 3.58Å; R274-R277 WeakPolarHBondContact O-CA 3.29Å; R274-R277 WeakPolarHBondContact O-CB 3.36Å; R274-R277 PolarHBondContact O-N 3.45Å; R274-E278 HydrophobicContact CG-CG 4.4Å; R274-E278 WeakPolarHBondContact CG-OE1 3.45Å; R274-E278 IonicContact CZ-OE1 2.81Å; R274-E278 IonicContact NE-OE1 3.73Å; R274-E278 PolarHBondContact NE-OE1 3.33Å; R274-E278 IonicContact NH2-OE1 3.12Å; R274-E278 PolarHBondContact NH2-OE1 2.91Å; R274-E278 WeakPolarHBondContact O-CG 3.34Å; R274-E278 PolarHBondContact O-N 2.64Å
275Q90.2Very high82.3Confident118 Ų118108.4 Ų108.455%0.55153%0.527SS*.Hα-helixtrans-59.3-41.6176.9-76.9-179.8-13.800112.2L271 L272 R277 E278 R279L271-Q275 WeakPolarHBondContact O-CG 3.42Å; L271-Q275 PolarHBondContact O-N 3.28Å; L272-Q275 PolarHBondContact O-N 2.92Å; Q275-R277 VanDerWaalsContact C-N 3.28Å; Q275-R277 PolarHBondContact O-N 2.95Å; Q275-E278 PolarHBondContact O-N 3.25Å; Q275-R279 WeakPolarHBondContact O-CB 3.29Å; Q275-R279 PolarHBondContact O-N 3.49Å
276L89.4Confident81.3Confident56 Ų56103.8 Ų103.829%0.29352%0.524SS..Hα-helixtrans-61.7-39.6175.1179.264.3000111.4L272 R274 R280L272-L276 VanDerWaalsContact O-CB 3.3Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 PolarHBondContact O-N 2.9Å; R274-L276 VanDerWaalsContact C-N 3.32Å; R274-L276 PolarHBondContact O-N 3.36Å; L276-R280 VanDerWaalsContact O-CG 3.27Å; L276-R280 WeakPolarHBondContact O-CG 3.25Å; L276-R280 PolarHBondContact O-N 2.91Å
277R86.8Confident80Confident158 Ų158101.9 Ų101.960%0.59653%0.533SS*.Hα-helixtrans-70-43.3178.9-155.9176.8-170.2-134.50.9111.5H273 R274 Q275 R280 Q281H273-R277 WeakPolarHBondContact O-CB 3.43Å; H273-R277 PolarHBondContact O-N 2.81Å; R274-R277 CarbonylContact O-C 3.58Å; R274-R277 WeakPolarHBondContact O-CA 3.29Å; R274-R277 WeakPolarHBondContact O-CB 3.36Å; R274-R277 PolarHBondContact O-N 3.45Å; Q275-R277 VanDerWaalsContact C-N 3.28Å; Q275-R277 PolarHBondContact O-N 2.95Å; R277-R280 PolarHBondContact O-N 2.94Å; R277-Q281 WeakPolarHBondContact O-CB 3.44Å; R277-Q281 VanDerWaalsContact O-CG 3.31Å; R277-Q281 WeakPolarHBondContact O-CG 3.47Å; R277-Q281 PolarHBondContact O-N 2.59Å
278E87.3Confident78.5Confident82 Ų82103.2 Ų103.238%0.38353%0.534SS..Hα-helixtrans-61-42.8173.3-73.1169.917600110.9R274 Q275 R280 Q281 A282R274-E278 HydrophobicContact CG-CG 4.4Å; R274-E278 WeakPolarHBondContact CG-OE1 3.45Å; R274-E278 IonicContact CZ-OE1 2.81Å; R274-E278 IonicContact NE-OE1 3.73Å; R274-E278 PolarHBondContact NE-OE1 3.33Å; R274-E278 IonicContact NH2-OE1 3.12Å; R274-E278 PolarHBondContact NH2-OE1 2.91Å; R274-E278 WeakPolarHBondContact O-CG 3.34Å; R274-E278 PolarHBondContact O-N 2.64Å; Q275-E278 PolarHBondContact O-N 3.25Å; E278-R280 PolarHBondContact O-N 2.88Å; E278-Q281 PolarHBondContact O-N 2.91Å; E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.37Å
279R84.9Confident77Confident174 Ų174106 Ų10666%0.65754%0.54SS*.Hα-helixtrans-62.7-41.6175-167.7-179.376.6-1746.2112.1Q275 V283Q275-R279 WeakPolarHBondContact O-CB 3.29Å; Q275-R279 PolarHBondContact O-N 3.49Å; R279-V283 VanDerWaalsContact O-CG2 3.28Å; R279-V283 WeakPolarHBondContact O-CG2 3.4Å; R279-V283 PolarHBondContact O-N 2.9Å; R279-V283 VanDerWaalsContact O-N 3.13Å
280R83.2Confident75.5Confident162 Ų162107.3 Ų107.361%0.61155%0.55SS**Hα-helixtrans-65.2-43.2175.8-74.5173.4-179.2-168.4-0.5111.2L276 R277 E278 V283 T284L276-R280 VanDerWaalsContact O-CG 3.27Å; L276-R280 WeakPolarHBondContact O-CG 3.25Å; L276-R280 PolarHBondContact O-N 2.91Å; R277-R280 PolarHBondContact O-N 2.94Å; E278-R280 PolarHBondContact O-N 2.88Å; R280-V283 PolarHBondContact O-N 3Å; R280-T284 PolarHBondContact O-N 3.03Å; R280-T284 PolarHBondContact O-OG1 2.98Å
281Q75.5Confident73.8Confident89 Ų89112 Ų11242%0.41657%0.566SS.*Hα-helixtrans-63.1-45.2176.4-74.9173.4-36.100111.6R277 E278 V283 T284 E285R277-Q281 WeakPolarHBondContact O-CB 3.44Å; R277-Q281 VanDerWaalsContact O-CG 3.31Å; R277-Q281 WeakPolarHBondContact O-CG 3.47Å; R277-Q281 PolarHBondContact O-N 2.59Å; E278-Q281 PolarHBondContact O-N 2.91Å; Q281-V283 PolarHBondContact O-N 2.93Å; Q281-T284 CarbonylContact O-C 3.56Å; Q281-T284 PolarHBondContact O-N 2.54Å; Q281-T284 VanDerWaalsContact O-N 3.07Å; Q281-E285 WeakPolarHBondContact O-CB 3.26Å; Q281-E285 WeakPolarHBondContact O-CG 3.44Å; Q281-E285 PolarHBondContact O-N 3.21Å
282A76.3Confident72Confident64 Ų64113.9 Ų113.953%0.52957%0.574SS.*Hα-helixtrans-60.3-33.1176.100000113E278 G286E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.37Å; A282-G286 WeakPolarHBondContact O-CA 3.47Å; A282-G286 PolarHBondContact O-N 3.17Å
283V70.4Confident70.2Confident114 Ų114119.1 Ų119.169%0.69159%0.587SS**Hα-helixtrans-75.2-38174.1172.70000111.4R279 R280 Q281 G286R279-V283 VanDerWaalsContact O-CG2 3.28Å; R279-V283 WeakPolarHBondContact O-CG2 3.4Å; R279-V283 PolarHBondContact O-N 2.9Å; R279-V283 VanDerWaalsContact O-N 3.13Å; R280-V283 PolarHBondContact O-N 3Å; Q281-V283 PolarHBondContact O-N 2.93Å; V283-G286 PolarHBondContact O-N 3.31Å
284T69.3Low68.8Low96 Ų96116.5 Ų116.559%0.58958%0.579SS**Hα-helixtrans-71.7-33.2177.1-53.40000112.7R280 Q281 G286R280-T284 PolarHBondContact O-N 3.03Å; R280-T284 PolarHBondContact O-OG1 2.98Å; Q281-T284 CarbonylContact O-C 3.56Å; Q281-T284 PolarHBondContact O-N 2.54Å; Q281-T284 VanDerWaalsContact O-N 3.07Å; T284-G286 VanDerWaalsContact C-N 3.28Å
285E61.2Low67.3Low138 Ų138114.8 Ų114.865%0.64559%0.585SS**SBendtrans-84.4-3.5174.2-69.1173.7-179.300112.5Q281 A287Q281-E285 WeakPolarHBondContact O-CB 3.26Å; Q281-E285 WeakPolarHBondContact O-CG 3.44Å; Q281-E285 PolarHBondContact O-N 3.21Å; E285-A287 PolarHBondContact O-N 3.32Å
286G55.9Low66Low43 Ų43112.3 Ų112.344%0.44359%0.592SS.*THydrogen-bonded Turntrans-87.927.3-165.300000118A282 V283 T284A282-G286 WeakPolarHBondContact O-CA 3.47Å; A282-G286 PolarHBondContact O-N 3.17Å; V283-G286 PolarHBondContact O-N 3.31Å; T284-G286 VanDerWaalsContact C-N 3.28Å
287A51.2Low65.6Low83 Ų83114.2 Ų114.269%0.68660%0.599SS**THydrogen-bonded Turntrans-98.4-13169.500000114.3E285E285-A287 PolarHBondContact O-N 3.32Å
288S53.2Low65.6Low82 Ų82110.9 Ų110.957%0.57359%0.592SS**SBendtrans-110.8-12.5-174.9-86.20000116.4
289Q54.4Low65.7Low165 Ų165107 Ų10777%0.77157%0.574SS**Hα-helixtrans-83-24-174.6-70-147.5-12.300115.3H291Q289-H291 VanDerWaalsContact C-N 3.29Å; Q289-H291 PolarHBondContact O-N 2.91Å
290L52.3Low65.7Low157 Ų157101.5 Ų101.582%0.82256%0.556SS**Hα-helixtrans-71.5-25.7175-73170.9000112.6
291H53.2Low65.9Low130 Ų13094 Ų9460%0.60253%0.528SS*.Hα-helixtrans-84.2-20.2-179.3-66100.7000113.5Q289Q289-H291 VanDerWaalsContact C-N 3.29Å; Q289-H291 PolarHBondContact O-N 2.91Å
292M51.8Low66.5Low145 Ų14595.9 Ų95.971%0.71454%0.536SS*.Hα-helixtrans-82.4-17.7-176.3-74.5-68.5166.100114.7A294M292-A294 VanDerWaalsContact C-N 3.34Å
293R53.7Low66.9Low211 Ų21195.8 Ų95.880%0.79653%0.528SS*.THydrogen-bonded Turntrans-75.3-20.4174.2-92.5-175.7171161.2-1.7113.7
294A55.8Low67.4Low23 Ų2398.1 Ų98.119%0.1954%0.537CS..SBendtrans-90.5-15.3-17400000114.7M292 G296M292-A294 VanDerWaalsContact C-N 3.34Å; A294-G296 VanDerWaalsContact C-N 3.25Å; A294-G296 PolarHBondContact O-N 3.16Å
295V57.6Low67.9Low121 Ų12196.9 Ų96.973%0.73354%0.543SS*.SBendtrans-77.4-7.1-169.3-174.50000113.3
296G63.4Low69.1Low66 Ų6695.2 Ų95.268%0.6854%0.542SS*.SBendtrans-1374.1-177.600000116.4A294A294-G296 VanDerWaalsContact C-N 3.25Å; A294-G296 PolarHBondContact O-N 3.16Å
297E79.9Confident70.6Confident95 Ų9599.7 Ų99.744%0.44455%0.545SS..PPolyproline II helixtrans-82.5129.9179.1-70.8-170.9170.200111C312E297-C312 HydrophobicContact CB-CB 4.34Å; E297-C312 WeakPolarHBondContact O-CB 3.37Å; E297-C312 PolarHBondContact O-N 3.24Å; E297-C312 PolarHBondContact O-SG 2.96Å
298I86.9Confident72.4Confident88 Ų8896.4 Ų96.445%0.45152%0.517SS..BIsolated β-bridgetrans-89140.6177.4-62.7172.1000109.1M300 C308 C312I298-M300 PolarHBondContact O-N 3.4Å; I298-C308 WeakPolarHBondContact CG2-O 3.46Å; I298-C312 PolarHBondContact O-SG 3.22Å
299C89.1Confident74.1Confident0 Ų097.9 Ų97.90%052%0.523CS..PPolyproline II helixtrans-47.6134.5179.2179.80000113A301 C308 N310 C312 C319C299-A301 VanDerWaalsContact C-N 3.29Å; C299-A301 PolarHBondContact O-N 3.03Å; C299-A301 WeakPolarHBondContact SG-CB 3.4Å; C299-A301 PolarHBondContact SG-N 3.05Å; C299-A301 VanDerWaalsContact SG-N 3.41Å; C299-C308 HydrophobicContact CB-CB 3.84Å; C299-N310 VanDerWaalsContact CB-O 3.28Å; C299-N310 WeakPolarHBondContact CB-O 3.47Å; C299-N310 PolarHBondContact N-O 3.09Å; C299-C312 VanDerWaalsContact CA-SG 3.5Å; C299-C312 PolarHBondContact N-SG 2.95Å; C299-C312 VanDerWaalsContact N-SG 3.4Å; C299-C319 HydrophobicContact CB-CB 3.97Å; C299-C319 PolarHBondContact SG-N 2.91Å; C299-C319 VanDerWaalsContact SG-N 3.37Å
300M85.8Confident75.7Confident60 Ų6093.8 Ų93.830%0.29651%0.506SS..  trans-81.1-3.5178.8-62.8-163.9-4500115I298 F302 R317I298-M300 PolarHBondContact O-N 3.4Å; M300-F302 VanDerWaalsContact O-CD2 3.26Å; M300-F302 WeakPolarHBondContact O-CD2 3.29Å; M300-F302 WeakPolarHBondContact O-CE2 3.41Å; M300-R317 HydrophobicContact CE-CB 3.4Å; M300-R317 HydrophobicContact CE-CG 4.09Å; M300-R317 HydrophobicContact CG-CB 4.25Å; M300-R317 PolarHBondContact N-O 2.97Å; M300-R317 HydrophobicContact SD-CB 4.04Å; M300-R317 PolarHBondContact SD-NE 3.43Å; M300-R317 PolarHBondContact SD-NH2 2.78Å
301A86.8Confident77.5Confident3 Ų390.7 Ų90.73%0.02550%0.496CS..  trans-67.3143.3-179.800000112.2C299 C308 H322C299-A301 VanDerWaalsContact C-N 3.29Å; C299-A301 PolarHBondContact O-N 3.03Å; C299-A301 WeakPolarHBondContact SG-CB 3.4Å; C299-A301 PolarHBondContact SG-N 3.05Å; C299-A301 VanDerWaalsContact SG-N 3.41Å; A301-C308 HydrophobicContact CB-CB 4.27Å; A301-C308 PolarHBondContact O-N 3.24Å; A301-H322 HydrophobicContact CB-CB 3.44Å; A301-H322 VanDerWaalsContact CB-CB 3.44Å; A301-H322 WeakPolarHBondContact CB-ND1 3.28Å
302F88Confident79.2Confident130 Ų13085.1 Ų85.157%0.5747%0.471SS*.EExtended strand (participates in β ladder)trans-113124.3171.7-69.7-102.5000108.8M300 V306 R307M300-F302 VanDerWaalsContact O-CD2 3.26Å; M300-F302 WeakPolarHBondContact O-CD2 3.29Å; M300-F302 WeakPolarHBondContact O-CE2 3.41Å; F302-V306 WeakPolarHBondContact CA-O 3.46Å; F302-R307 HydrophobicContact CD1-CG 3.6Å; F302-R307 HydrophobicContact CD2-CG 4.49Å; F302-R307 HydrophobicContact CE1-CB 4.46Å; F302-R307 HydrophobicContact CE1-CG 3.12Å; F302-R307 HydrophobicContact CE2-CG 4.09Å; F302-R307 HydrophobicContact CG-CG 4.28Å; F302-R307 HydrophobicContact CZ-CG 3.41Å; F302-R307 VanDerWaalsContact CZ-CG 3.41Å
303V84.2Confident80.7Confident61 Ų6180 Ų8037%0.3745%0.447SS..EExtended strand (participates in β ladder)trans-116.6123174.1-1750000107G305 V306 H322V303-G305 PolarHBondContact O-N 3.3Å; V303-V306 PolarHBondContact N-O 3.38Å; V303-V306 PolarHBondContact O-N 3.16Å; V303-H322 VanDerWaalsContact CG2-NE2 3.28Å; V303-H322 WeakPolarHBondContact CG2-NE2 3.41Å
304D81.2Confident82Confident164 Ų16474.3 Ų74.388%0.87744%0.437SS*.THydrogen-bonded Turntrans49.935.1-179.9-56.5-36.9000114.3V306D304-V306 VanDerWaalsContact C-N 3.34Å
305G79.8Confident82.9Confident69 Ų6980.4 Ų80.471%0.71147%0.471SS*.THydrogen-bonded Turntrans83.7-0.4179.800000115.4V303V303-G305 PolarHBondContact O-N 3.3Å
306V86.7Confident84.1Confident103 Ų10375.6 Ų75.662%0.62444%0.444SS*.EExtended strand (participates in β ladder)trans-107.7137.4177.3-175.80000110.4F302 V303 D304F302-V306 WeakPolarHBondContact CA-O 3.46Å; V303-V306 PolarHBondContact N-O 3.38Å; V303-V306 PolarHBondContact O-N 3.16Å; D304-V306 VanDerWaalsContact C-N 3.34Å
307R88.3Confident85.1Confident137 Ų13779.6 Ų79.652%0.51744%0.439SS..EExtended strand (participates in β ladder)trans-70.3134.5175.3-72.2-176.563.9-169.2-3.8110.7F302 T309F302-R307 HydrophobicContact CD1-CG 3.6Å; F302-R307 HydrophobicContact CD2-CG 4.49Å; F302-R307 HydrophobicContact CE1-CB 4.46Å; F302-R307 HydrophobicContact CE1-CG 3.12Å; F302-R307 HydrophobicContact CE2-CG 4.09Å; F302-R307 HydrophobicContact CG-CG 4.28Å; F302-R307 HydrophobicContact CZ-CG 3.41Å; F302-R307 VanDerWaalsContact CZ-CG 3.41Å; R307-T309 PolarHBondContact O-N 3.1Å
308C88.8Confident85.6Confident14 Ų1475.9 Ų75.910%0.09542%0.422CS..  trans-60.3134.6171-176.40000109.8I298 C299 A301 C319 H322I298-C308 WeakPolarHBondContact CG2-O 3.46Å; C299-C308 HydrophobicContact CB-CB 3.84Å; A301-C308 HydrophobicContact CB-CB 4.27Å; A301-C308 PolarHBondContact O-N 3.24Å; C308-C319 VanDerWaalsContact SG-SG 3.67Å; C308-H322 PolarHBondContact SG-CE1 3.28Å; C308-H322 PolarHBondContact SG-ND1 2.88Å; C308-H322 VanDerWaalsContact SG-ND1 3.36Å
309T88.7Confident85.7Confident114 Ų11471.9 Ų71.970%0.69940%0.402SS*.  trans-94.7-4179.349.80000113.3R307R307-T309 PolarHBondContact O-N 3.1Å
310N88.3Confident85.6Confident78 Ų7876.4 Ų76.442%0.41743%0.425SS..SBendtrans-70.6146.1-178.5-66.8-25.4000111C299 C319C299-N310 VanDerWaalsContact CB-O 3.28Å; C299-N310 WeakPolarHBondContact CB-O 3.47Å; C299-N310 PolarHBondContact N-O 3.09Å; N310-C319 HydrophobicContact CB-CB 3.68Å
311P89.1Confident85.6Confident93 Ų9376.7 Ų76.760%0.60443%0.433SS*.BIsolated β-bridgetrans-63.6144.1175.727.2-34.1000111.1C319P311-C319 WeakPolarHBondContact O-CB 3.26Å
312C88.6Confident85.7Confident12 Ų1277.9 Ų77.98%0.08144%0.438CS..PPolyproline II helixtrans-64.7151.6171-69.10000111.2E297 I298 C299 A316 R317E297-C312 HydrophobicContact CB-CB 4.34Å; E297-C312 WeakPolarHBondContact O-CB 3.37Å; E297-C312 PolarHBondContact O-N 3.24Å; E297-C312 PolarHBondContact O-SG 2.96Å; I298-C312 PolarHBondContact O-SG 3.22Å; C299-C312 VanDerWaalsContact CA-SG 3.5Å; C299-C312 PolarHBondContact N-SG 2.95Å; C299-C312 VanDerWaalsContact N-SG 3.4Å; C312-A316 WeakPolarHBondContact CB-O 3.28Å; C312-R317 PolarHBondContact SG-O 3.26Å
313L83.8Confident85.7Confident38 Ų3871.9 Ų71.920%0.19941%0.412CS..PPolyproline II helixtrans-70.9153.8167.6-77.7162.3000111.2V315 A316 H318 L320 I323L313-V315 PolarHBondContact O-N 2.81Å; L313-A316 HydrophobicContact CB-CB 3.99Å; L313-A316 PolarHBondContact O-N 3Å; L313-H318 PolarHBondContact N-O 2.97Å; L313-L320 HydrophobicContact CD1-CB 4.48Å; L313-L320 HydrophobicContact CD1-CD2 3.58Å; L313-L320 HydrophobicContact CD1-CG 3.78Å; L313-L320 HydrophobicContact CD2-CD1 4.34Å; L313-L320 HydrophobicContact CD2-CD2 3.92Å; L313-L320 HydrophobicContact CD2-CG 3.8Å; L313-L320 HydrophobicContact CG-CD2 4.24Å; L313-L320 HydrophobicContact CG-CG 4.04Å; L313-I323 HydrophobicContact CD1-CB 4.42Å; L313-I323 HydrophobicContact CD1-CD1 3.49Å; L313-I323 VanDerWaalsContact CD1-CD1 3.49Å; L313-I323 HydrophobicContact CD1-CG1 4.43Å
314P80.7Confident85.8Confident91 Ų9171 Ų7159%0.59141%0.408SS*.THydrogen-bonded Turntrans-52.4130.8174-24.834000111.2A316P314-A316 PolarHBondContact O-N 3.27Å
315V75.8Confident86Confident151 Ų15168.1 Ų68.192%0.91539%0.389SS*.THydrogen-bonded Turntrans66.50.7178.7-158.50000114.3L313L313-V315 PolarHBondContact O-N 2.81Å
316A81.5Confident86.2Confident20 Ų2066.4 Ų66.417%0.16536%0.364CS..  trans-114.5159.2175.500000111.4C312 L313 P314 I323C312-A316 WeakPolarHBondContact CB-O 3.28Å; L313-A316 HydrophobicContact CB-CB 3.99Å; L313-A316 PolarHBondContact O-N 3Å; P314-A316 PolarHBondContact O-N 3.27Å; A316-I323 HydrophobicContact CB-CD1 4.41Å
317R85.8Confident85.9Confident150 Ų15066.8 Ų66.857%0.56637%0.371SS*.SBendtrans-100.37.8179.6-52.6-179.975.2-171.31.5113.3M300 C312M300-R317 HydrophobicContact CE-CB 3.4Å; M300-R317 HydrophobicContact CE-CG 4.09Å; M300-R317 HydrophobicContact CG-CB 4.25Å; M300-R317 PolarHBondContact N-O 2.97Å; M300-R317 HydrophobicContact SD-CB 4.04Å; M300-R317 PolarHBondContact SD-NE 3.43Å; M300-R317 PolarHBondContact SD-NH2 2.78Å; C312-R317 PolarHBondContact SG-O 3.26Å
318H89.3Confident85.6Confident18 Ų1866.5 Ų66.58%0.08338%0.38CS..SBendtrans-132.8151.6-174.4-59.594.3000110.6L313 I323 D326L313-H318 PolarHBondContact N-O 2.97Å; H318-I323 HydrophobicContact CB-CB 4.41Å; H318-D326 IonicContact CE1-OD2 3.82Å; H318-D326 WeakPolarHBondContact ND1-CB 3.48Å; H318-D326 IonicContact ND1-OD2 2.87Å; H318-D326 PolarHBondContact ND1-OD2 2.95Å; H318-D326 VanDerWaalsContact ND1-OD2 3.16Å
319C89.4Confident85.5Confident4 Ų468 Ų683%0.02739%0.385CS..  trans-79.9169.2172.563.90000110.9C299 C308 N310 P311 S321 H322 I323C299-C319 HydrophobicContact CB-CB 3.97Å; C299-C319 PolarHBondContact SG-N 2.91Å; C299-C319 VanDerWaalsContact SG-N 3.37Å; C308-C319 VanDerWaalsContact SG-SG 3.67Å; N310-C319 HydrophobicContact CB-CB 3.68Å; P311-C319 WeakPolarHBondContact O-CB 3.26Å; C319-S321 PolarHBondContact O-N 3.48Å; C319-S321 VanDerWaalsContact O-N 3.12Å; C319-S321 PolarHBondContact SG-OG 3.38Å; C319-H322 CarbonylContact O-C 3.56Å; C319-H322 PolarHBondContact O-N 3.23Å; C319-H322 PolarHBondContact SG-ND1 2.94Å; C319-H322 VanDerWaalsContact SG-ND1 3.37Å; C319-I323 WeakPolarHBondContact O-CB 3.26Å; C319-I323 PolarHBondContact O-N 3.5Å
320L87.1Confident85.2Confident95 Ų9567.6 Ų67.650%0.49738%0.383SS..THydrogen-bonded Turntrans-53.2-34.9-179.4-76.7164000114.3L313 I323 F332 T346L313-L320 HydrophobicContact CD1-CB 4.48Å; L313-L320 HydrophobicContact CD1-CD2 3.58Å; L313-L320 HydrophobicContact CD1-CG 3.78Å; L313-L320 HydrophobicContact CD2-CD1 4.34Å; L313-L320 HydrophobicContact CD2-CD2 3.92Å; L313-L320 HydrophobicContact CD2-CG 3.8Å; L313-L320 HydrophobicContact CG-CD2 4.24Å; L313-L320 HydrophobicContact CG-CG 4.04Å; L320-I323 WeakPolarHBondContact O-CG2 3.29Å; L320-F332 HydrophobicContact CD2-CD1 4.49Å; L320-F332 HydrophobicContact CD2-CE1 3.76Å; L320-F332 HydrophobicContact CD2-CZ 4.14Å; L320-T346 VanDerWaalsContact O-CB 3.27Å; L320-T346 WeakPolarHBondContact O-CB 3.39Å; L320-T346 WeakPolarHBondContact O-CG2 3.09Å; L320-T346 PolarHBondContact O-OG1 3.44Å
321S86.8Confident85.1Confident65 Ų6568.4 Ų68.446%0.45539%0.387SS..THydrogen-bonded Turntrans-75.4-26.2179.461.80000113.1C319C319-S321 PolarHBondContact O-N 3.48Å; C319-S321 VanDerWaalsContact O-N 3.12Å; C319-S321 PolarHBondContact SG-OG 3.38Å
322H88.6Confident85Confident28 Ų2866 Ų6613%0.1337%0.367CS..THydrogen-bonded Turntrans-114.62.1-174.8-59.4137.6000114.1A301 V303 C308 C319 C324 Q325A301-H322 HydrophobicContact CB-CB 3.44Å; A301-H322 VanDerWaalsContact CB-CB 3.44Å; A301-H322 WeakPolarHBondContact CB-ND1 3.28Å; V303-H322 VanDerWaalsContact CG2-NE2 3.28Å; V303-H322 WeakPolarHBondContact CG2-NE2 3.41Å; C308-H322 PolarHBondContact SG-CE1 3.28Å; C308-H322 PolarHBondContact SG-ND1 2.88Å; C308-H322 VanDerWaalsContact SG-ND1 3.36Å; C319-H322 CarbonylContact O-C 3.56Å; C319-H322 PolarHBondContact O-N 3.23Å; C319-H322 PolarHBondContact SG-ND1 2.94Å; C319-H322 VanDerWaalsContact SG-ND1 3.37Å; H322-C324 PolarHBondContact O-N 2.87Å; H322-C324 VanDerWaalsContact O-N 3.12Å; H322-Q325 PolarHBondContact CD2-NE2 2.96Å; H322-Q325 VanDerWaalsContact O-CB 3.28Å; H322-Q325 WeakPolarHBondContact O-CB 3.19Å; H322-Q325 PolarHBondContact O-N 2.84Å
323I88.6Confident84.9Confident4 Ų470.5 Ų70.52%0.02139%0.385CS..G310 helixtrans-59.1-26.4179.7-164.5170.1000112.6L313 A316 H318 C319 L320 Q325 D326 Q329 F332 T346L313-I323 HydrophobicContact CD1-CB 4.42Å; L313-I323 HydrophobicContact CD1-CD1 3.49Å; L313-I323 VanDerWaalsContact CD1-CD1 3.49Å; L313-I323 HydrophobicContact CD1-CG1 4.43Å; A316-I323 HydrophobicContact CB-CD1 4.41Å; H318-I323 HydrophobicContact CB-CB 4.41Å; C319-I323 WeakPolarHBondContact O-CB 3.26Å; C319-I323 PolarHBondContact O-N 3.5Å; L320-I323 WeakPolarHBondContact O-CG2 3.29Å; I323-Q325 PolarHBondContact O-N 2.71Å; I323-D326 WeakPolarHBondContact O-CB 3.28Å; I323-D326 PolarHBondContact O-N 2.99Å; I323-D326 VanDerWaalsContact O-N 3.17Å; I323-Q329 VanDerWaalsContact CG1-CD 3.44Å; I323-Q329 HydrophobicContact CG1-CG 4.15Å; I323-Q329 WeakPolarHBondContact O-CB 3.41Å; I323-Q329 WeakPolarHBondContact O-CG 3.27Å; I323-F332 HydrophobicContact CD1-CD2 3.85Å; I323-F332 HydrophobicContact CD1-CE2 4.02Å; I323-F332 HydrophobicContact CD1-CG 4.42Å; I323-F332 HydrophobicContact CG2-CB 3.93Å; I323-F332 HydrophobicContact CG2-CG 4.19Å; I323-T346 HydrophobicContact CG2-CG2 3.64Å
324C85.1Confident85Confident44 Ų4473.3 Ų73.330%0.29740%0.399SS..G310 helixtrans-69.7-10.2173.6-610000114.3H322 D326 I334H322-C324 PolarHBondContact O-N 2.87Å; H322-C324 VanDerWaalsContact O-N 3.12Å; C324-D326 VanDerWaalsContact C-N 3.35Å; C324-I334 HydrophobicContact CB-CD1 4.38Å; C324-I334 HydrophobicContact CB-CG1 4.1Å
325Q84.7Confident85.3Confident102 Ų10269.1 Ų69.148%0.47737%0.372SS..G310 helixtrans-84.1-13.3173-60176.91.900112.2H322 I323H322-Q325 PolarHBondContact CD2-NE2 2.96Å; H322-Q325 VanDerWaalsContact O-CB 3.28Å; H322-Q325 WeakPolarHBondContact O-CB 3.19Å; H322-Q325 PolarHBondContact O-N 2.84Å; I323-Q325 PolarHBondContact O-N 2.71Å
326D85.1Confident85.5Confident33 Ų3365.3 Ų65.318%0.17635%0.35CS..  trans-73.9127.2176.2-161.7-36.2000110.2H318 I323 C324 N328 Q329H318-D326 IonicContact CE1-OD2 3.82Å; H318-D326 WeakPolarHBondContact ND1-CB 3.48Å; H318-D326 IonicContact ND1-OD2 2.87Å; H318-D326 PolarHBondContact ND1-OD2 2.95Å; H318-D326 VanDerWaalsContact ND1-OD2 3.16Å; I323-D326 WeakPolarHBondContact O-CB 3.28Å; I323-D326 PolarHBondContact O-N 2.99Å; I323-D326 VanDerWaalsContact O-N 3.17Å; C324-D326 VanDerWaalsContact C-N 3.35Å; D326-N328 PolarHBondContact O-N 3.27Å; D326-N328 PolarHBondContact OD1-N 2.88Å; D326-Q329 HydrophobicContact CB-CB 4.14Å; D326-Q329 VanDerWaalsContact O-CB 3.29Å; D326-Q329 WeakPolarHBondContact O-CB 3.23Å; D326-Q329 PolarHBondContact O-N 2.99Å
327S80.8Confident85.5Confident112 Ų11264.5 Ų64.578%0.78334%0.344SS*.THydrogen-bonded Turntrans-66.1-23.5-179.160.20000113.1Q329S327-Q329 VanDerWaalsContact C-N 3.32Å
328N81.8Confident85.1Confident130 Ų13062 Ų6270%0.69534%0.341SS*.THydrogen-bonded Turntrans-95.711.3-178.8-60.4-38.1000112.3D326 V330D326-N328 PolarHBondContact O-N 3.27Å; D326-N328 PolarHBondContact OD1-N 2.88Å; N328-V330 PolarHBondContact O-N 3.45Å
329Q85.6Confident84.1Confident45 Ų4571.2 Ų71.221%0.2138%0.381CS..  trans-75.7113-174.3-174.1582.500112.9I323 D326 S327 F332I323-Q329 VanDerWaalsContact CG1-CD 3.44Å; I323-Q329 HydrophobicContact CG1-CG 4.15Å; I323-Q329 WeakPolarHBondContact O-CB 3.41Å; I323-Q329 WeakPolarHBondContact O-CG 3.27Å; D326-Q329 HydrophobicContact CB-CB 4.14Å; D326-Q329 VanDerWaalsContact O-CB 3.29Å; D326-Q329 WeakPolarHBondContact O-CB 3.23Å; D326-Q329 PolarHBondContact O-N 2.99Å; S327-Q329 VanDerWaalsContact C-N 3.32Å; Q329-F332 WeakPolarHBondContact CG-O 3.45Å
330V83.7Confident83.2Confident107 Ų10778.8 Ų78.865%0.64842%0.421SS*.  trans-116-15.5177.5-62.70000113.6N328N328-V330 PolarHBondContact O-N 3.45Å
331L84.9Confident82.6Confident95 Ų9576.5 Ų76.550%0.49742%0.416SS..SBendtrans-94-18.5-172.6-66.4179.1000114H348 M349L331-H348 CarbonylContact O-C 3.51Å; L331-H348 WeakPolarHBondContact O-CA 3.49Å; L331-M349 PolarHBondContact O-N 3.28Å
332F86.8Confident82.2Confident42 Ų4279.2 Ų79.218%0.18443%0.432CS..EExtended strand (participates in β ladder)trans-136.9144.4-177.2-60.4-112.5000110.6L320 I323 Q329 T346 V347 H348L320-F332 HydrophobicContact CD2-CD1 4.49Å; L320-F332 HydrophobicContact CD2-CE1 3.76Å; L320-F332 HydrophobicContact CD2-CZ 4.14Å; I323-F332 HydrophobicContact CD1-CD2 3.85Å; I323-F332 HydrophobicContact CD1-CE2 4.02Å; I323-F332 HydrophobicContact CD1-CG 4.42Å; I323-F332 HydrophobicContact CG2-CB 3.93Å; I323-F332 HydrophobicContact CG2-CG 4.19Å; Q329-F332 WeakPolarHBondContact CG-O 3.45Å; F332-T346 HydrophobicContact CB-CG2 3.67Å; F332-T346 HydrophobicContact CD1-CG2 3.85Å; F332-T346 HydrophobicContact CG-CG2 4.18Å; F332-V347 CarbonylContact C-O 3.59Å; F332-V347 VanDerWaalsContact CA-O 3.25Å; F332-V347 WeakPolarHBondContact CA-O 3.49Å; F332-H348 HydrophobicContact CD1-CB 4.22Å; F332-H348 HydrophobicContact CE1-CB 4.17Å; F332-H348 AromaticContact CE2-CD2 3.95Å; F332-H348 AromaticContact CZ-CD2 3.86Å
333K86.9Confident82Confident106 Ų10678.5 Ų78.546%0.46143%0.43SS..EExtended strand (participates in β ladder)trans-136164.2176.2-78.3-177.6177.4168.20110.5T346 V347 M349K333-T346 WeakPolarHBondContact O-CA 3.47Å; K333-V347 PolarHBondContact N-O 3.41Å; K333-V347 VanDerWaalsContact O-CG2 3.23Å; K333-V347 WeakPolarHBondContact O-CG2 3.46Å; K333-V347 PolarHBondContact O-N 3.02Å; K333-M349 HydrophobicContact CB-CG 4.37Å; K333-M349 HydrophobicContact CD-CE 4.37Å; K333-M349 HydrophobicContact CD-CG 4.12Å; K333-M349 HydrophobicContact CD-SD 3.42Å; K333-M349 WeakPolarHBondContact CD-SD 3.28Å; K333-M349 WeakPolarHBondContact CE-SD 3.35Å; K333-M349 HydrophobicContact CG-CG 4.04Å; K333-M349 HydrophobicContact CG-SD 3.63Å
334I86.1Confident81.6Confident97 Ų9785.3 Ų85.350%0.49747%0.466SS..EExtended strand (participates in β ladder)trans-76.2136.7171.8-56.9175.9000108.5C324 C343C324-I334 HydrophobicContact CB-CD1 4.38Å; C324-I334 HydrophobicContact CB-CG1 4.1Å; I334-C343 WeakPolarHBondContact CG2-O 3.36Å
335C86.7Confident81.5Confident4 Ų489.3 Ų89.33%0.02748%0.475CS..  trans-59.5128.4177.6171.20000110.5G337 C343 R345 V347 C357 H360C335-G337 PolarHBondContact O-N 3.12Å; C335-G337 PolarHBondContact SG-N 2.82Å; C335-C343 HydrophobicContact CB-CB 3.97Å; C335-C343 VanDerWaalsContact O-O 3.09Å; C335-R345 VanDerWaalsContact CB-O 3.29Å; C335-R345 WeakPolarHBondContact CB-O 3.19Å; C335-R345 PolarHBondContact N-O 2.91Å; C335-V347 HydrophobicContact CB-CG2 3.93Å; C335-C357 HydrophobicContact CB-CB 4.23Å; C335-C357 PolarHBondContact SG-N 2.79Å; C335-C357 VanDerWaalsContact SG-N 3.42Å; C335-H360 PolarHBondContact SG-ND1 2.78Å
336P81.3Confident81.6Confident70 Ų7086.1 Ų86.146%0.45546%0.463SS..  trans-67.4-11.1-177.626.4-33.7000113.9P355 R356P336-P355 WeakPolarHBondContact CD-O 3.29Å; P336-R356 HydrophobicContact CG-CG 4.11Å
337G80.7Confident81.7Confident3 Ų385.4 Ų85.43%0.03146%0.46CS..  trans71.8-168.5176.600000113.4C335 R356C335-G337 PolarHBondContact O-N 3.12Å; C335-G337 PolarHBondContact SG-N 2.82Å; G337-R356 PolarHBondContact O-NH1 2.98Å
338L76.8Confident81.8Confident97 Ų9785 Ų8551%0.50845%0.445SS..BIsolated β-bridgetrans-101.9156.6169.2-74.3164.9000108.6D340 A341L338-D340 PolarHBondContact O-N 3.37Å; L338-A341 PolarHBondContact N-O 3.12Å; L338-A341 CarbonylContact O-C 3.6Å; L338-A341 PolarHBondContact O-N 3.06Å; L338-A341 VanDerWaalsContact O-O 3.08Å
339K69.2Low81.8Confident212 Ų21281.4 Ų81.492%0.92243%0.425SS*.THydrogen-bonded Turntrans-53.6-22.4-173.2-69.1-176178.1-178.20114.2
340D70.1Confident81Confident163 Ų16381.1 Ų81.187%0.87243%0.434SS*.THydrogen-bonded Turntrans-108.2-0.2-176.2-52.2-47000114.1L338L338-D340 PolarHBondContact O-N 3.37Å
341A75.3Confident79.9Confident47 Ų4786.3 Ų86.339%0.38845%0.451SS..BIsolated β-bridgetrans-152.3117.2178.500000112.8L338L338-A341 PolarHBondContact N-O 3.12Å; L338-A341 CarbonylContact O-C 3.6Å; L338-A341 PolarHBondContact O-N 3.06Å; L338-A341 VanDerWaalsContact O-O 3.08Å
342P77.9Confident79Confident122 Ų12284.6 Ų84.679%0.79245%0.447SS*.  trans-67.1148.1174.429.1-33.6000110.9
343C84.1Confident78.1Confident13 Ų1389.9 Ų89.99%0.08848%0.477CS..  trans-122.8124.9-179.7-170.40000110.8I334 C335 R345 H360I334-C343 WeakPolarHBondContact CG2-O 3.36Å; C335-C343 HydrophobicContact CB-CB 3.97Å; C335-C343 VanDerWaalsContact O-O 3.09Å; C343-R345 VanDerWaalsContact C-N 3.34Å; C343-H360 VanDerWaalsContact CB-CE1 3.46Å; C343-H360 WeakPolarHBondContact CB-CE1 3.44Å; C343-H360 PolarHBondContact SG-CE1 3.31Å; C343-H360 PolarHBondContact SG-ND1 3.49Å; C343-H360 VanDerWaalsContact SG-ND1 3.44Å
344D80.8Confident77.6Confident147 Ų14790 Ų9079%0.78648%0.483SS*.  trans-94.812.3-179.5-56.4-36.5000113.2T346D344-T346 PolarHBondContact O-N 3.44Å
345R82.8Confident77.2Confident128 Ų12885.8 Ų85.848%0.48346%0.462SS..  trans-80.2121.4-179.6-71.3-173.1-176.6-179.91.7111C335 C343 C357 L359C335-R345 VanDerWaalsContact CB-O 3.29Å; C335-R345 WeakPolarHBondContact CB-O 3.19Å; C335-R345 PolarHBondContact N-O 2.91Å; C343-R345 VanDerWaalsContact C-N 3.34Å; R345-C357 HydrophobicContact CB-CB 4.08Å; R345-L359 VanDerWaalsContact CZ-CD1 3.41Å
346T87.3Confident77.1Confident35 Ų3589.3 Ų89.322%0.21548%0.475CS..EExtended strand (participates in β ladder)trans-62.9131.1165.5-50.30000110.5L320 I323 F332 K333 D344L320-T346 VanDerWaalsContact O-CB 3.27Å; L320-T346 WeakPolarHBondContact O-CB 3.39Å; L320-T346 WeakPolarHBondContact O-CG2 3.09Å; L320-T346 PolarHBondContact O-OG1 3.44Å; I323-T346 HydrophobicContact CG2-CG2 3.64Å; F332-T346 HydrophobicContact CB-CG2 3.67Å; F332-T346 HydrophobicContact CD1-CG2 3.85Å; F332-T346 HydrophobicContact CG-CG2 4.18Å; K333-T346 WeakPolarHBondContact O-CA 3.47Å; D344-T346 PolarHBondContact O-N 3.44Å
347V86.5Confident77.3Confident18 Ų1886 Ų8611%0.10945%0.454CS..EExtended strand (participates in β ladder)trans-129143178.3-88.50000110.5F332 K333 C335 P355 C357F332-V347 CarbonylContact C-O 3.59Å; F332-V347 VanDerWaalsContact CA-O 3.25Å; F332-V347 WeakPolarHBondContact CA-O 3.49Å; K333-V347 PolarHBondContact N-O 3.41Å; K333-V347 VanDerWaalsContact O-CG2 3.23Å; K333-V347 WeakPolarHBondContact O-CG2 3.46Å; K333-V347 PolarHBondContact O-N 3.02Å; C335-V347 HydrophobicContact CB-CG2 3.93Å; V347-P355 HydrophobicContact CB-CB 4.29Å; V347-P355 HydrophobicContact CG2-CB 4.09Å; V347-P355 HydrophobicContact CG2-CG 4.28Å; V347-P355 WeakPolarHBondContact CG2-O 2.89Å; V347-C357 HydrophobicContact CG1-CB 3.78Å
348H83.4Confident77.3Confident104 Ų10491.3 Ų91.348%0.48149%0.487SS..EExtended strand (participates in β ladder)trans-70.8134175.3-173.1-84.9000110L331 F332 G350 P355L331-H348 CarbonylContact O-C 3.51Å; L331-H348 WeakPolarHBondContact O-CA 3.49Å; F332-H348 HydrophobicContact CD1-CB 4.22Å; F332-H348 HydrophobicContact CE1-CB 4.17Å; F332-H348 AromaticContact CE2-CD2 3.95Å; F332-H348 AromaticContact CZ-CD2 3.86Å; H348-G350 VanDerWaalsContact C-N 3.26Å; H348-G350 PolarHBondContact ND1-N 2.85Å; H348-G350 PolarHBondContact O-N 3.42Å; H348-P355 WeakPolarHBondContact O-CB 3.44Å
349M80.4Confident77.4Confident55 Ų5592.3 Ų92.327%0.27149%0.492SS..  trans-73.880.7169.7-70.6-167.555.500109.1L331 K333 P355L331-M349 PolarHBondContact O-N 3.28Å; K333-M349 HydrophobicContact CB-CG 4.37Å; K333-M349 HydrophobicContact CD-CE 4.37Å; K333-M349 HydrophobicContact CD-CG 4.12Å; K333-M349 HydrophobicContact CD-SD 3.42Å; K333-M349 WeakPolarHBondContact CD-SD 3.28Å; K333-M349 WeakPolarHBondContact CE-SD 3.35Å; K333-M349 HydrophobicContact CG-CG 4.04Å; K333-M349 HydrophobicContact CG-SD 3.63Å; M349-P355 HydrophobicContact CG-CG 4.21Å
350G69.6Low78Confident39 Ų3983.7 Ų83.740%0.40246%0.455SS..  trans-69.9-167.1164.100000111.7H348 S352H348-G350 VanDerWaalsContact C-N 3.26Å; H348-G350 PolarHBondContact ND1-N 2.85Å; H348-G350 PolarHBondContact O-N 3.42Å; G350-S352 PolarHBondContact O-N 3.24Å
351Q60.7Low78.5Confident216 Ų21680.7 Ų80.7100%1.00944%0.439SS*.SBendtrans-61.112.4-178.4-62.1-173.9-600116
352S65.9Low78.5Confident58 Ų5884 Ų8441%0.40645%0.454SS..  trans-113.7133.5-179.861.80000110.8G350 D354G350-S352 PolarHBondContact O-N 3.24Å; S352-D354 PolarHBondContact O-N 2.89Å
353D68.1Low78.1Confident154 Ų15484.6 Ų84.682%0.82445%0.45SS*.SBendtrans-66.6-24.2177.4-64.3-39.5000113.3P355D353-P355 WeakPolarHBondContact O-CD 3.28Å
354D75.8Confident77.6Confident107 Ų10789.2 Ų89.257%0.57248%0.48SS*.SBendtrans-117.676.8177.1-93.6-5.7000111.5S352 R356S352-D354 PolarHBondContact O-N 2.89Å; D354-R356 PolarHBondContact O-N 3.46Å
355P79.1Confident77.2Confident10 Ų1087.5 Ų87.57%0.06548%0.477CS..  trans-67.6125.1177.129.4-35.1000110.2P336 V347 H348 M349 D353P336-P355 WeakPolarHBondContact CD-O 3.29Å; V347-P355 HydrophobicContact CB-CB 4.29Å; V347-P355 HydrophobicContact CG2-CB 4.09Å; V347-P355 HydrophobicContact CG2-CG 4.28Å; V347-P355 WeakPolarHBondContact CG2-O 2.89Å; H348-P355 WeakPolarHBondContact O-CB 3.44Å; M349-P355 HydrophobicContact CG-CG 4.21Å; D353-P355 WeakPolarHBondContact O-CD 3.28Å
356R84Confident76.7Confident78 Ų7887 Ų8729%0.29449%0.49SS..  trans-116.4145.9178.3-68.5169.1179.9-84.2-9.3109.7P336 G337 D354 H360P336-R356 HydrophobicContact CG-CG 4.11Å; G337-R356 PolarHBondContact O-NH1 2.98Å; D354-R356 PolarHBondContact O-N 3.46Å; R356-H360 HydrophobicContact CB-CB 4.28Å; R356-H360 VanDerWaalsContact CD-O 3.29Å; R356-H360 WeakPolarHBondContact CD-O 3.21Å
357C84.4Confident75.5Confident1 Ų194.5 Ų94.51%0.00753%0.525CS..  trans-69.1162.217675.10000109.9C335 R345 V347 L359 H360 L361C335-C357 HydrophobicContact CB-CB 4.23Å; C335-C357 PolarHBondContact SG-N 2.79Å; C335-C357 VanDerWaalsContact SG-N 3.42Å; R345-C357 HydrophobicContact CB-CB 4.08Å; V347-C357 HydrophobicContact CG1-CB 3.78Å; C357-L359 PolarHBondContact O-N 3.43Å; C357-H360 CarbonylContact O-C 3.54Å; C357-H360 PolarHBondContact O-N 2.91Å; C357-H360 PolarHBondContact SG-ND1 3.05Å; C357-H360 VanDerWaalsContact SG-ND1 3.39Å; C357-L361 PolarHBondContact O-N 3.46Å
358P81.1Confident74.6Confident114 Ų114102.1 Ų102.174%0.7455%0.553SS**THydrogen-bonded Turntrans-54.8-22.6-178.6-28.435.5000114.9
359L79.9Confident73.3Confident117 Ų117105.6 Ų105.661%0.61357%0.569SS**THydrogen-bonded Turntrans-81.6-23.4176.7-60.8-177.4000113.9R345 C357R345-L359 VanDerWaalsContact CZ-CD1 3.41Å; C357-L359 PolarHBondContact O-N 3.43Å
360H81.1Confident72.1Confident31 Ų31107.7 Ų107.714%0.14459%0.587CS.*THydrogen-bonded Turntrans-111.73.7-178.9-62.1134.3000112.5C335 C343 R356 C357 T362C335-H360 PolarHBondContact SG-ND1 2.78Å; C343-H360 VanDerWaalsContact CB-CE1 3.46Å; C343-H360 WeakPolarHBondContact CB-CE1 3.44Å; C343-H360 PolarHBondContact SG-CE1 3.31Å; C343-H360 PolarHBondContact SG-ND1 3.49Å; C343-H360 VanDerWaalsContact SG-ND1 3.44Å; R356-H360 HydrophobicContact CB-CB 4.28Å; R356-H360 VanDerWaalsContact CD-O 3.29Å; R356-H360 WeakPolarHBondContact CD-O 3.21Å; C357-H360 CarbonylContact O-C 3.54Å; C357-H360 PolarHBondContact O-N 2.91Å; C357-H360 PolarHBondContact SG-ND1 3.05Å; C357-H360 VanDerWaalsContact SG-ND1 3.39Å; H360-T362 PolarHBondContact O-N 3.37Å
361L81.5Confident71.4Confident101 Ų101114.3 Ų114.353%0.52961%0.608SS.*  trans-71.7117.6174.4-174.868.9000109.4C357 L363C357-L361 PolarHBondContact O-N 3.46Å; L361-L363 HydrophobicContact CD2-CD2 4.28Å; L361-L363 PolarHBondContact O-N 3.45Å
362T74.7Confident71Confident115 Ų115112.9 Ų112.971%0.70660%0.601SS**  trans-77.6107.6173.4-48.60000108.7H360H360-T362 PolarHBondContact O-N 3.37Å
363L69Low70.3Confident135 Ų135119 Ų11971%0.70762%0.623SS**PPolyproline II helixtrans-69.8138.4172.8-65.4175.3000109.6L361L361-L363 HydrophobicContact CD2-CD2 4.28Å; L361-L363 PolarHBondContact O-N 3.45Å
364P73.2Confident69.2Low111 Ų111116.9 Ų116.972%0.72162%0.618SS**PPolyproline II helixtrans-54.9142.1169.7-2131000110.2
365P73.8Confident67.8Low110 Ų110116.9 Ų116.971%0.71462%0.624SS**PPolyproline II helixtrans-57.1140.9174.721.6-29.8000110M367P365-M367 PolarHBondContact O-N 2.92Å
366P70.6Confident66.2Low117 Ų117122.6 Ų122.676%0.7666%0.661SS**PPolyproline II helixtrans-58.2127.7-179.423.4-32.4000109.7Y368P366-Y368 PolarHBondContact O-N 3.38Å; P366-Y368 VanDerWaalsContact O-N 3.12Å
367M62.1Low64.2Low194 Ų194128.1 Ų128.196%0.95669%0.69SS**SBendtrans-70.80.2-179.2-69.6-179.960.500113.9P365 Q369P365-M367 PolarHBondContact O-N 2.92Å; M367-Q369 PolarHBondContact O-N 3.48Å
368Y67.6Low62Low178 Ų178136.7 Ų136.770%0.69873%0.73SS**  trans-91102.2-179.3-169.6-100.2000110.8P366 P370P366-Y368 PolarHBondContact O-N 3.38Å; P366-Y368 VanDerWaalsContact O-N 3.12Å; Y368-P370 HydrophobicContact CD1-CG 4.37Å; Y368-P370 HydrophobicContact CE1-CB 4.21Å; Y368-P370 HydrophobicContact CE1-CG 4.11Å
369Q57.8Low60.1Low176 Ų176139.8 Ų139.882%0.82273%0.734SS**PPolyproline II helixtrans-86.4123.2157.2-72.1-177.2-1500107.4M367 E371M367-Q369 PolarHBondContact O-N 3.48Å; Q369-E371 PolarHBondContact O-N 3.39Å
370P54.7Low57.8Low99 Ų99144 Ų14464%0.64375%0.748SS**PPolyproline II helixtrans-56.6129.4172.2-20.731.2000109.8Y368 Q372Y368-P370 HydrophobicContact CD1-CG 4.37Å; Y368-P370 HydrophobicContact CE1-CB 4.21Å; Y368-P370 HydrophobicContact CE1-CG 4.11Å; P370-Q372 PolarHBondContact O-N 3.44Å
371E54.5Low55.6Low178 Ų178148.7 Ų148.783%0.83278%0.779SS**PPolyproline II helixtrans-53.6125.4175.9-156.8160140.100109.4Q369 E373Q369-E371 PolarHBondContact O-N 3.39Å; E371-E373 PolarHBondContact O-N 3.42Å
372Q51.8Low53.6Low186 Ų186149.8 Ų149.887%0.86979%0.792SS**PPolyproline II helixtrans-60.9125.3172.4-80.2176.9-12.500108.4P370P370-Q372 PolarHBondContact O-N 3.44Å
373E51.2Low51.5Low186 Ų186149.8 Ų149.887%0.86980%0.797SS**PPolyproline II helixtrans-48.9128.6173.6-83.1179.313900110.6E371E371-E373 PolarHBondContact O-N 3.42Å
374P44.9Very low49.9Very low110 Ų110149 Ų14971%0.71480%0.803SS**PPolyproline II helixtrans-66.9146.2170.427.2-31.3000109.9
375P47.3Very low48.2Very low108 Ų108152.2 Ų152.270%0.70181%0.805SS**PPolyproline II helixtrans-65.5153.9-17828.9-34000111.1Q377P375-Q377 PolarHBondContact O-N 3.47Å
376P44.6Very low46.7Very low129 Ų129153.3 Ų153.384%0.83881%0.805SS**PPolyproline II helixtrans-66.3118.5-173.626.4-32.3000110.3
377Q43.3Very low45.2Very low195 Ų195156 Ų15691%0.91181%0.809SS**PPolyproline II helixtrans-87.9131167.9-72.4-167.8-24.400110.2P375P375-Q377 PolarHBondContact O-N 3.47Å
378E38Very low44.1Very low180 Ų180155.9 Ų155.984%0.84180%0.8SS**PPolyproline II helixtrans-62.8151.4-175.5-62-177.5146.300113.4F380E378-F380 PolarHBondContact O-N 2.85Å
379H39.9Very low42.8Very low180 Ų180153.2 Ų153.283%0.83380%0.797SS**  trans-44.3123.9175.4-68-92.8000114.8
380F32.9Very low42.2Very low205 Ų205150.2 Ų150.290%0.89980%0.796SS**  trans-143.6139.1143.6-88.1-76.3000111.7E378E378-F380 PolarHBondContact O-N 2.85Å
381T33.7Very low41.7Very low129 Ų129150.1 Ų150.179%0.79180%0.803SS**  trans-74.3164.9-164.544.90000115.4
382P40.7Very low41.1Very low125 Ų125146.2 Ų146.281%0.81280%0.801SS**  trans-92.7137.4-159.235.9-30.5000112.8
383S30.3Very low40.7Very low115 Ų115146 Ų14680%0.80480%0.8SS**  trans178.5102.4156.81570000110.4
384S34.9Very low40Very low118 Ų118145 Ų14583%0.82580%0.8SS**  172.4134.2119.858.30000109.8
385K37.8Very low39.7Very low179 Ų179147.4 Ų147.478%0.77880%0.802SS**  trans-68.6158-175.9-137.8-178.1176.5176.70112.3
386D42.4Very low39.3Very low133 Ų133148 Ų14871%0.71181%0.806SS**  trans81.4101.2156.5-52.8-37000117.5
387M38.6Very low39Very low172 Ų172148.3 Ų148.385%0.84781%0.805SS**  169.4129.4114.8-90.7-175.578.900111.7
388Y38.7Very low38.8Very low192 Ų192147.7 Ų147.775%0.75380%0.803SS**  trans94.1117139.7-122.7-129.1000121.4
389L41.6Very low38.6Very low122 Ų122144.7 Ų144.764%0.63980%0.801SS**  trans81103147.2-59.9175.1000122.1
390S45Very low38.6Very low114 Ų114142.8 Ų142.880%0.79780%0.797SS**  34.7112.2113.1-53.20000119.6
391A43.7Very low39Very low97 Ų97139 Ų13980%0.80279%0.792SS**  -154.6121.6120.300000108.5E393A391-E393 PolarHBondContact O-N 3.19Å
392A41.5Very low39.3Very low96 Ų96138.7 Ų138.779%0.79379%0.785SS**  trans-66.1124.1172.900000109.3L394A392-L394 PolarHBondContact O-N 3.45Å
393E43Very low39.2Very low180 Ų180141.4 Ų141.484%0.84179%0.787SS**  trans-69107.7168.4-64.1173.6161.400108.5A391A391-E393 PolarHBondContact O-N 3.19Å
394L36.4Very low39.3Very low166 Ų166144.5 Ų144.587%0.86979%0.786SS**  trans-86.9107.1163.7-68.8177.5000108.1A392A392-L394 PolarHBondContact O-N 3.45Å
395Q38.8Very low39.4Very low161 Ų161144.4 Ų144.475%0.75279%0.786SS**  trans-72137.2164.3-69.8-104.2-45.300109.2
396P39Very low39.7Very low121 Ų121143.1 Ų143.179%0.78679%0.788SS**  trans-81.5118.6170.827.1-22.1000109.5
397T38.2Very low39.9Very low135 Ų135143.8 Ų143.883%0.82879%0.791SS**  trans-112.5121.9166.149.20000110.6
398E39.6Very low39.9Very low182 Ų182143.6 Ų143.685%0.8579%0.792SS**  trans-69.3169.4-178.6-57.6175.9142.700113
399S34Very low40.2Very low116 Ų116142.2 Ų142.281%0.81180%0.798SS**  trans92.694.7159.470.40000118.8
400L39.1Very low40.2Very low141 Ų141142.2 Ų142.274%0.73880%0.803SS**  trans-65.2158.8147-67.4173.2000109.7L402L400-L402 HydrophobicContact CD1-CD1 4.39Å; L400-L402 HydrophobicContact CD2-CD1 4.18Å
401P41.8Very low40.2Very low125 Ų125146.1 Ų146.181%0.81281%0.809SS**  -128131.197.31.419.9000114.1
402L40.1Very low39.9Very low123 Ų123144.7 Ų144.764%0.64480%0.803SS**  trans-76.9109163.8-126.989.2000107.7L400 F404L400-L402 HydrophobicContact CD1-CD1 4.39Å; L400-L402 HydrophobicContact CD2-CD1 4.18Å; L402-F404 HydrophobicContact CD2-CD2 3.6Å; L402-F404 HydrophobicContact CD2-CE2 3.66Å; L402-F404 HydrophobicContact CG-CD2 3.87Å; L402-F404 HydrophobicContact CG-CE2 3.79Å
403E39.4Very low39.9Very low182 Ų182148.1 Ų148.185%0.8581%0.808SS**  trans-104.6104.2159.1-76.7-169.2159.400107.5
404F32.5Very low40.3Very low179 Ų179142.5 Ų142.579%0.78580%0.799SS**  trans-106114.7159.6-79.8-82.6000106.9L402 D406L402-F404 HydrophobicContact CD2-CD2 3.6Å; L402-F404 HydrophobicContact CD2-CE2 3.66Å; L402-F404 HydrophobicContact CG-CD2 3.87Å; L402-F404 HydrophobicContact CG-CE2 3.79Å; F404-D406 PolarHBondContact O-N 3.37Å
405S36.3Very low40.7Very low116 Ų116143.3 Ų143.381%0.81180%0.8SS**  trans-68.3115.1166.7-26.90000108.4
406D44.9Very low41Very low153 Ų153144.1 Ų144.182%0.81880%0.804SS**  trans-60.4130.3152.4-80.7-40.2000108.6F404F404-D406 PolarHBondContact O-N 3.37Å
407D45.5Very low41.3Very low147 Ų147141.2 Ų141.279%0.78680%0.796SS**  trans-178.389.4152.2-91.6-23.7000108.8
408L39.7Very low41.7Very low167 Ų167140.7 Ų140.787%0.87480%0.795SS**  trans-152.785.7153.9-76.3-171.4000110V410L408-V410 PolarHBondContact O-N 3.36Å
409D43.6Very low41.7Very low164 Ų164137.2 Ų137.288%0.87779%0.788SS**  trans-71.9109.5156.7-74.4-40.1000109.1
410V41.7Very low42Very low122 Ų122137.1 Ų137.174%0.73979%0.787SS**  trans-118.9102.8160.4172.70000107.1L408 G412L408-V410 PolarHBondContact O-N 3.36Å; V410-G412 VanDerWaalsContact C-N 3.3Å; V410-G412 PolarHBondContact O-N 3.4Å
411E45.7Very low42.1Very low196 Ų196136.1 Ų136.192%0.91679%0.79SS**  trans-60.495163.3-66.5-175156.700108.5D413E411-D413 PolarHBondContact O-N 2.87Å
412G36.3Very low42Very low66 Ų66137.3 Ų137.368%0.6879%0.788SS**  trans-89.296.2176.200000110.5V410 G414V410-G412 VanDerWaalsContact C-N 3.3Å; V410-G412 PolarHBondContact O-N 3.4Å; G412-G414 PolarHBondContact O-N 3.26Å
413D42.3Very low42Very low169 Ų169140.1 Ų140.190%0.90480%0.798SS**  trans-60.6126.5168.8-1494.9000109.6E411 M415E411-D413 PolarHBondContact O-N 2.87Å; D413-M415 PolarHBondContact O-N 2.97Å
414G50.9Low41.7Very low62 Ų62140.4 Ų140.464%0.63980%0.797SS**  trans-67.2118-163.500000113.9G412G412-G414 PolarHBondContact O-N 3.26Å
415M45.4Very low41.9Very low183 Ų183138 Ų13890%0.90179%0.792SS**  trans-13986.1159.4-76.1-63-80.100110.1D413 G417D413-M415 PolarHBondContact O-N 2.97Å; M415-G417 PolarHBondContact O-N 2.86Å
416Q46.1Very low42.3Very low177 Ų177138 Ų13883%0.82779%0.788SS**PPolyproline II helixtrans-68.2120.6168-74.117616.400109.7
417G44.6Very low42.2Very low61 Ų61134.3 Ų134.363%0.62978%0.778SS**PPolyproline II helixtrans-71.8155.417000000111.7M415M415-G417 PolarHBondContact O-N 2.86Å
418P45.4Very low42Very low124 Ų124133.7 Ų133.781%0.80577%0.774SS**PPolyproline II helixtrans-70.1144.618029.3-33.8000111.5
419P40.8Very low42.2Very low108 Ų108128.3 Ų128.370%0.70175%0.754SS**PPolyproline II helixtrans-71.5144.8174.529.4-32.8000111.3
420S39.1Very low42.1Very low114 Ų114126 Ų12680%0.79774%0.741SS**PPolyproline II helixtrans-66.1143.4179.2-590000112.5L422S420-L422 PolarHBondContact O-N 2.93Å
421P42.5Very low42.3Very low121 Ų121127.6 Ų127.679%0.78674%0.74SS**SBendtrans-93.570.7-174.336.3-33.2000112
422L39.1Very low42.3Very low150 Ų150122.7 Ų122.779%0.78572%0.72SS**  trans-155.268.1168.5-78.3-173.6000112S420S420-L422 PolarHBondContact O-N 2.93Å
423Q39.6Very low42.7Very low181 Ų181127.4 Ų127.485%0.84673%0.725SS**  trans-143.991.9153.2-69.1-170.8-26.800107.4D425Q423-D425 PolarHBondContact O-N 3.25Å
424F34.7Very low43.1Very low188 Ų188123.6 Ų123.683%0.82571%0.708SS**  trans-83.1101.6163.5-79.9-88.1000106.7T426F424-T426 PolarHBondContact O-N 3.44Å
425D36.4Very low43Very low129 Ų129124.8 Ų124.869%0.6970%0.699SS**  trans-8194.6166-86.1-32.7000108.9Q423 A427Q423-D425 PolarHBondContact O-N 3.25Å; D425-A427 PolarHBondContact O-N 3.12Å; D425-A427 VanDerWaalsContact O-N 3.08Å
426T43.9Very low43.2Very low116 Ų116122.7 Ų122.771%0.71268%0.681SS**THydrogen-bonded Turntrans-66.91175.9-39.50000113F424F424-T426 PolarHBondContact O-N 3.44Å
427A41.9Very low43.3Very low75 Ų75117.4 Ų117.462%0.6267%0.667SS**THydrogen-bonded Turntrans-82.5-24.7-176.400000114.2D425D425-A427 PolarHBondContact O-N 3.12Å; D425-A427 VanDerWaalsContact O-N 3.08Å
428L42.5Very low43.7Very low134 Ų134121 Ų12170%0.70267%0.671SS**G310 helixtrans-86.5-11.4-176.6-85.2160.5000114.5L430L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.29Å
429A42.7Very low43.6Very low55 Ų55119.2 Ų119.246%0.45567%0.667SS.*G310 helixtrans-80.8-7.7-179.600000113.8
430L42.6Very low43.7Very low115 Ų115121.6 Ų121.660%0.60267%0.668SS**G310 helixtrans-94.2-2.2-176.6-67.9178.9000114.3L428 R436L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.29Å; L430-R436 PolarHBondContact O-NH2 2.9Å
431E46.6Very low43.9Very low155 Ų155119.1 Ų119.172%0.72466%0.655SS**SBendtrans-94.2-11.1-179.9-67.1-175.6173.700113.6Q433E431-Q433 PolarHBondContact O-N 3.37Å
432D45.5Very low43.5Very low93 Ų93119 Ų11950%0.49765%0.654SS.*  trans-84.4106-179.2-131.4-17.4000110.7T434 I435D432-T434 PolarHBondContact O-N 2.88Å; D432-I435 HydrophobicContact CB-CD1 3.74Å; D432-I435 HydrophobicContact CB-CG1 3.99Å; D432-I435 PolarHBondContact O-N 2.98Å
433Q44.7Very low43.4Very low166 Ų166119.5 Ų119.578%0.77665%0.654SS**Hα-helixtrans-58.3-20-179.2-86.9168.8-12.800113.7E431E431-Q433 PolarHBondContact O-N 3.37Å
434T50.9Low43.1Very low89 Ų89118.6 Ų118.655%0.54666%0.655SS.*Hα-helixtrans-74.4-29.3176.352.70000112.8D432D432-T434 PolarHBondContact O-N 2.88Å
435I49Very low43.1Very low87 Ų87115.9 Ų115.945%0.44665%0.648SS.*Hα-helixtrans-81.1-34.1-176.2-61.5175.2000111.2D432 A437 I438 A439D432-I435 HydrophobicContact CB-CD1 3.74Å; D432-I435 HydrophobicContact CB-CG1 3.99Å; D432-I435 PolarHBondContact O-N 2.98Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.05Å; I435-I438 PolarHBondContact O-N 3.45Å; I435-A439 PolarHBondContact O-N 3.32Å
436R48.3Very low42.9Very low138 Ų138117.3 Ų117.352%0.52166%0.655SS.*Hα-helixtrans-63.7-37.2173.4-73.3-175.4-159.6159.45.3112.6L430 I438 A439 E440L430-R436 PolarHBondContact O-NH2 2.9Å; R436-I438 VanDerWaalsContact C-N 3.26Å; R436-I438 PolarHBondContact O-N 3.3Å; R436-A439 PolarHBondContact O-N 3.17Å; R436-E440 PolarHBondContact O-N 3.34Å
437A48.8Very low42.3Very low67 Ų67118.8 Ų118.855%0.55466%0.664SS**Hα-helixtrans-65.9-27.1179.600000113.4I435I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.05Å
438I53.6Low41.8Very low137 Ų137118.3 Ų118.370%0.70367%0.666SS**Hα-helixtrans-83.3-32.5178.2-61168.8000110.8I435 R436I435-I438 PolarHBondContact O-N 3.45Å; R436-I438 VanDerWaalsContact C-N 3.26Å; R436-I438 PolarHBondContact O-N 3.3Å
439A43.3Very low41.2Very low86 Ų86121.3 Ų121.371%0.71168%0.677SS**Hα-helixtrans-77.2-21.6179.200000113.9I435 R436I435-A439 PolarHBondContact O-N 3.32Å; R436-A439 PolarHBondContact O-N 3.17Å
440E43.1Very low40.9Very low157 Ų157126.6 Ų126.673%0.73470%0.697SS**THydrogen-bonded Turntrans-971-178.2-71.1177.8177.700114.3R436R436-E440 PolarHBondContact O-N 3.34Å
441A42.2Very low40.7Very low63 Ų63127.1 Ų127.152%0.52171%0.707SS.*SBendtrans-76126177.300000111.2M443A441-M443 PolarHBondContact O-N 3.42Å
442P34.9Very low39.9Very low118 Ų118127.3 Ų127.377%0.76671%0.714SS**  trans-70.1128.418026.6-31000111D444P442-D444 PolarHBondContact O-N 3.25Å
443M35.8Very low39.8Very low161 Ų161127.7 Ų127.779%0.79372%0.721SS**  trans-82.8101.2174.2-72.8-79.8-67.400109.8A441 I445A441-M443 PolarHBondContact O-N 3.42Å; M443-I445 HydrophobicContact CE-CD1 4.35Å
444D33.3Very low39Very low161 Ų161127.2 Ų127.286%0.86172%0.724SS**  trans-97.1115.5166.9-83.7-29.4000110.4P442P442-D444 PolarHBondContact O-N 3.25Å
445I34.3Very low38Very low132 Ų132131.4 Ų131.468%0.67774%0.737SS**  trans-110.7127.2173-60.4170.1000107.3M443M443-I445 HydrophobicContact CE-CD1 4.35Å
446L33.5Very low37.3Very low158 Ų158132.9 Ų132.983%0.82775%0.75SS**  trans93.597.2165-50.5-177.6000119.2
447T30.2Very low36.3Very low148 Ų148133 Ų13391%0.90876%0.761SS**  trans-175.9111.2133.4260000104.3
448G33Very low35.6Very low65 Ų65136.2 Ų136.267%0.6777%0.768SS**  89.597.359.200000108.5
449E29.9Very low34.3Very low197 Ų197136 Ų13692%0.92177%0.768SS**  trans155.8115.7148.5-85.2172.6133.100111.9
450D36.3Very low33.6Very low165 Ų165138.6 Ų138.688%0.88278%0.776SS**  trans-66.7151.5163.7-69.4-63.6000110.6
451P37.8Very low33.1Very low126 Ų126136.5 Ų136.582%0.81878%0.778SS**  -141159122.633.2-16.9000116
452D29.3Very low32.3Very low160 Ų160137.2 Ų137.286%0.85679%0.792SS**  trans-49.2166.1-174.2-86.6-54.2000120.1
453P42.6Very low32.1Very low101 Ų101139.4 Ų139.466%0.65679%0.792SS**  trans-91.6137.8-17636.5-30.3000112.5
454D27.9Very low31.8Very low156 Ų156140.6 Ų140.683%0.83480%0.795SS**  trans175.1150.1141.9-94.2-24000111.6
455Q31.9Very low31.6Very low176 Ų176140.2 Ų140.282%0.82279%0.793SS**  trans93.994.2172.7-56.7-178.833.400115.5
456V32.7Very low31.5Very low119 Ų119138.7 Ų138.772%0.72179%0.794SS**  73.1137.970.5-53.40000116.1
457D28.2Very low31.5Very low141 Ų141140.4 Ų140.475%0.75480%0.798SS**  trans88.8142.3169.8-55.4-23.8000118.3
458L33.1Very low31.9Very low133 Ų133144.1 Ų144.170%0.69680%0.795SS**  cis-170.9156.2-36.7-140.285.6000103.6
459D27.8Very low31.7Very low132 Ų132148.7 Ų148.771%0.70680%0.804SS**  trans78.4104.8158-55.6-26.8000120.5
460T28.4Very low32.1Very low141 Ų141145.6 Ų145.687%0.86580%0.798SS**  -160101.2116.410.60000111.8
461S31.2Very low31.9Very low113 Ų113145.6 Ų145.679%0.7980%0.798SS**  trans28.5117.9146.658.90000120.3
462G26.5Very low31.7Very low79 Ų79144 Ų14481%0.81480%0.796SS**  trans-71.5165.1167.800000115.2
463H30.4Very low32.1Very low164 Ų164144.5 Ų144.576%0.75980%0.797SS**  trans-133.8103.6154.5-149.9-62.2000107.3
464E30.2Very low31.9Very low185 Ų185148.1 Ų148.186%0.86481%0.807SS**  trans-66.2130.8163.8-58.6-153.7123.300108.1
465L29Very low32.4Very low154 Ų154148.4 Ų148.481%0.80681%0.808SS**  trans-130.9123156.9-74.5178.7000108.3
466S30.9Very low32.5Very low100 Ų100147.5 Ų147.570%0.69981%0.809SS**  trans-61.8145.1-170.350.20000114.6R468S466-R468 PolarHBondContact O-N 3.45Å
467E34.8Very low32.6Very low194 Ų194151 Ų15191%0.90782%0.817SS**  trans-57.4107.8155.1-63.1174.6128.900110.2
468R37.7Very low33.1Very low225 Ų225150.9 Ų150.985%0.84982%0.822SS**  trans-169.2145.4154.8-100.2154.6-166-168.74.4108.1S466S466-R468 PolarHBondContact O-N 3.45Å
469D30Very low33Very low162 Ų162151.4 Ų151.487%0.86683%0.83SS**  trans89.958.3-176.8-51.2-15.3000115.4
470V36.9Very low33.2Very low132 Ų132150.7 Ų150.780%0.884%0.835SS**  trans-86.2139.7140.8-86.90000108.3
471D32.8Very low33.4Very low165 Ų165151.7 Ų151.788%0.88284%0.835SS**  trans95.174.8173.1-55.7-33.8000117.6
472A34Very low33.4Very low92 Ų92153.4 Ų153.476%0.7684%0.841SS**  trans-154.7148144.700000109.6
473I37.1Very low33.4Very low171 Ų171153.7 Ų153.788%0.87784%0.844SS**SBendtrans87.654.3178.1-36.6164.5000114.7
474M39.2Very low33.3Very low177 Ų177150 Ų15087%0.87285%0.85SS**SBendtrans-132.322.7156.6-86.3-118.27200112.6
475D36.8Very low33.3Very low161 Ų161144.8 Ų144.886%0.86185%0.846SS**  trans-138.881.9174.9-79.9-59.4000110.2
476D35.6Very low33.6Very low158 Ų158147.3 Ų147.385%0.84585%0.854SS**  trans-157.575.1157.6-15651.5000109.7
477Q34.1Very low33.8Very low191 Ų191152.2 Ų152.289%0.89387%0.866SS**SBendtrans-172.344.4157.2-112173.533.800114.3
478V37.6Very low33.7Very low139 Ų139150.4 Ų150.484%0.84286%0.862SS**SBendtrans-149.597.7154.7178.30000106.6
479V32.7Very low33.4Very low144 Ų144143.7 Ų143.787%0.87386%0.855SS**  trans173.795.9140.1176.50000106.8
480S31.5Very low33.5Very low117 Ų117141.8 Ų141.882%0.81885%0.849SS**  trans-164.571.1156.260.90000109.6
481D33.1Very low33.2Very low162 Ų162142.8 Ų142.887%0.86685%0.85SS**  trans-165.2126138.4-137.7-4.2000109.4
482V30.7Very low33.1Very low150 Ų150140 Ų14091%0.90984%0.844SS**  trans140.7105.3169.8164.80000108.2
483G27.2Very low33.1Very low84 Ų84141.1 Ų141.187%0.86685%0.845SS**  trans157.588.9162.200000115.3
484G27.8Very low32.9Very low86 Ų86136.6 Ų136.689%0.88783%0.834SS**  trans152.9117.4159.500000110.4
485G29.4Very low32.8Very low76 Ų76136.4 Ų136.478%0.78483%0.831SS**  cis173.8133.83.800000104.9
486E35.2Very low32.6Very low208 Ų208134.9 Ų134.997%0.97282%0.823SS**  trans-76.6139.5178.8-62.6167.1128.300110.1
487E35.1Very low32.6Very low203 Ų203135.1 Ų135.195%0.94982%0.823SS**  trans-148.2152.1142.861.7-173.3146.900111
488D32.4Very low32.6Very low155 Ų155132.9 Ų132.983%0.82982%0.817SS**  trans-112.9146.6-143.8-179.517.5000110
489A31.3Very low32.5Very low84 Ų84134.4 Ų134.469%0.69482%0.82SS**  trans-178.298.9153.700000113.5
490T33.3Very low32.6Very low122 Ų122131.9 Ų131.975%0.74881%0.814SS**  51111.6126.563.70000121.8
491D31.1Very low33Very low153 Ų153131.5 Ų131.582%0.81882%0.818SS**  73.3146.9112-154.831.1000122.3
492S29.5Very low33.2Very low108 Ų108127.5 Ų127.576%0.75582%0.815SS**  trans106.1129.8156.1-76.70000120.4
493S34.4Very low33.7Very low114 Ų114128.2 Ų128.280%0.79781%0.814SS**  trans-105.8154.8-171.5179.70000110
494A34.1Very low34.2Very low77 Ų77128 Ų12864%0.63680%0.804SS**  trans80.1129149.100000121.8
495Q35.4Very low35.9Very low172 Ų172129.5 Ų129.580%0.80480%0.798SS**  trans97.7120.6134.8-79.2169.56.600122.3
496D33.3Very low36.6Very low130 Ų130141.1 Ų141.170%0.69582%0.818SS**  trans66.8119.9133.7-61.7-32.5000121.4
497L36.4Very low36.7Very low162 Ų162137.8 Ų137.885%0.84881%0.811SS**  168.4144.495.9-83.3179.5000113
498D33.3Very low36.8Very low145 Ų145134.3 Ų134.378%0.77580%0.803SS**  trans-41.6158.3171.9-83.4-55.4000117.8
499L35.8Very low37Very low170 Ų170133.2 Ų133.289%0.8980%0.802SS**  -172.6126117.5-96.2166.9000114.7
500A35.2Very low37.4Very low91 Ų91136.1 Ų136.175%0.75281%0.808SS**  trans82.2111.413400000121.7
501A39.1Very low37.6Very low109 Ų109136.9 Ų136.990%0.90181%0.812SS**  trans-68.3154.6160.600000113.4
502G37.6Very low38.1Very low79 Ų79135.9 Ų135.981%0.81481%0.812SS**  trans-144135.8169.600000110.1
503D40.3Very low38.7Very low165 Ų165137.9 Ų137.988%0.88282%0.816SS**  trans-77168.9-153.8-141.5-20.6000116.5
504A38.3Very low39Very low79 Ų79139.7 Ų139.765%0.65382%0.817SS**  trans-65.5-160.5175.600000112.8
505P64.4Low39.4Very low118 Ų118144.9 Ų144.977%0.76683%0.832SS**  cis-140.7159.3-3.838.7-19.3000116.5
506R43.6Very low39.8Very low319 Ų319142.5 Ų142.5100%1.20484%0.835SS**  -1760120.2-107.1-173.3-179.1-168.91.2111.9

Retrieved 506 of 506 residues in 650.8 ms (Link to these results)