A0A077YWZ1_TRITR Loading...

BTB 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1M35.9Very low37.4Very low239 Ų239163.7 Ų163.7100%1.17782%0.82SS**  0116.60-80.3156120.900107.4
2H40.9Very low36.9Very low182 Ų182158 Ų15884%0.84382%0.817SS**  trans47.186.4173.5-57.3-54000120
3H37.5Very low36.8Very low172 Ų172158.8 Ų158.880%0.79682%0.821SS**  trans-88.3111.8153.4-138.7-81.5000107.3D5H3-D5 IonicContact CE1-OD1 3.71Å; H3-D5 IonicContact ND1-OD1 3.06Å; H3-D5 PolarHBondContact ND1-OD1 3.22Å
4C41.9Very low36.4Very low104 Ų104162.1 Ų162.170%0.70383%0.834SS**  trans-97.797.9172.7-63.20000107.9V6C4-V6 PolarHBondContact O-N 3.2Å
5D35.1Very low36Very low130 Ų130158.4 Ų158.470%0.69583%0.828SS**  trans-76.3102.2173.3-72.8-20.7000109.7H3H3-D5 IonicContact CE1-OD1 3.71Å; H3-D5 IonicContact ND1-OD1 3.06Å; H3-D5 PolarHBondContact ND1-OD1 3.22Å
6V40.2Very low36.3Very low128 Ų128155.9 Ų155.978%0.77682%0.822SS**  trans-95.6102.7168.1-1720000107.9C4C4-V6 PolarHBondContact O-N 3.2Å
7K34.4Very low36.5Very low185 Ų185157.2 Ų157.280%0.80482%0.822SS**  trans-81.2123.3169.8-67.6-178.7179.5178.80109.2
8P44.4Very low36.6Very low109 Ų109154.2 Ų154.271%0.70882%0.817SS**  trans-88.6111.8169.225.9-16.3000110W10P8-W10 PolarHBondContact O-N 3.21Å
9T37.1Very low36.5Very low134 Ų134153.9 Ų153.982%0.82281%0.814SS**  trans-71.499.416440.10000109.6
10W31.3Very low36.9Very low219 Ų219155.6 Ų155.683%0.8382%0.816SS**  trans-93.587.3163.4-85.6-3.2000109.8P8 V169P8-W10 PolarHBondContact O-N 3.21Å; W10-V169 HydrophobicContact CH2-CG1 4.06Å
11K32.3Very low37.1Very low199 Ų199157.8 Ų157.887%0.86582%0.819SS**  trans-130.7127.8161.8-119-178-179.9-178.80106
12A31.8Very low37.5Very low95 Ų95150.1 Ų150.179%0.78580%0.801SS**  trans87.5102.6-178.800000115.5
13I35.3Very low37.5Very low169 Ų169147.8 Ų147.887%0.86781%0.806SS**  176.282129.1-76.8146.8000104.9
14M32Very low38.1Very low204 Ų204143.3 Ų143.3100%1.00581%0.806SS**  trans-164.547.7165.2-90-119.3-119.100109.8
15S30.6Very low38Very low107 Ų107145.9 Ų145.975%0.74881%0.813SS**  trans-144.8106.4169.8-166.30000108.3
16T40.9Very low38.5Very low118 Ų118144.2 Ų144.272%0.72481%0.812SS**  trans167.8139.8135.842.30000109.9
17H39.6Very low38.6Very low178 Ų178149 Ų14982%0.82482%0.816SS**  trans88.7129.6170.7-53.285.6000117.3
18S37.6Very low39.2Very low104 Ų104148 Ų14873%0.72781%0.814SS**  cis-171.2131.6-22.6-170.90000104.2
19I35.2Very low39Very low149 Ų149150.9 Ų150.976%0.76482%0.818SS**  trans-79.6127.6175.9-66.7173.5000108.3
20H45Very low39Very low187 Ų187155.8 Ų155.887%0.86682%0.821SS**  trans-134.7124.6155.4-108.560.5000111
21K40.3Very low39.3Very low201 Ų201156.2 Ų156.287%0.87482%0.823SS**  trans-76.3142179.1-69.6-177.6174.3178.90110.4
22G44.6Very low39.9Very low78 Ų78156.1 Ų156.180%0.80482%0.822SS**  trans-153.4117167.300000110.9
23S41.5Very low40Very low134 Ų134160.4 Ų160.494%0.93783%0.826SS**  trans-68.7147.1-175.8-178.30000113.4
24G48.4Very low40Very low78 Ų78161.2 Ų161.280%0.80483%0.828SS**  trans175.6116.7170.100000114
25N39.6Very low40.1Very low157 Ų157156.8 Ų156.884%0.8482%0.817SS**  trans-91153.9-161.4-148.45.8000113.7
26S46.7Very low40.4Very low96 Ų96157.5 Ų157.567%0.67182%0.822SS**  trans111128.2144.4-50.80000120.7
27R43Very low40.1Very low228 Ų228157.6 Ų157.686%0.8682%0.823SS**  trans92.195.6143.6-79.2175172.2179.7-2.5120.6
28Q45.3Very low39.8Very low165 Ų165156.8 Ų156.877%0.77182%0.824SS**  47.3112124.1-66.6-173.1-2100119.5
29H41.8Very low39.4Very low169 Ų169159.6 Ų159.678%0.78283%0.83SS**  -178.5100.9110.2-104.160000113.1
30R35.5Very low39.5Very low236 Ų236160.8 Ų160.889%0.89183%0.832SS**  trans22.5105.1131.4-160177.6176.9-171.1-1.4118.1
31R38.4Very low38.7Very low229 Ų229156.7 Ų156.786%0.86482%0.821SS**  trans-160.7106.6139.2-125.8170.2159.6156.2-6114.8
32K44.3Very low38.4Very low197 Ų197156.9 Ų156.986%0.85782%0.822SS**  trans50.9119.3137.4-64.9-173.9175.2-173.80120.8
33Q34.1Very low37.7Very low185 Ų185161.1 Ų161.186%0.86482%0.821SS**  trans-47.1149.3165.6-60.7-165-28.300116.3
34M35.7Very low37.2Very low186 Ų186162.3 Ų162.392%0.91682%0.816SS**  -157.4106.2120.5-75.6-133.8169.400107.9
35S33Very low36.2Very low110 Ų110162.2 Ų162.277%0.76982%0.815SS**  6499.8102.6-164.70000114.9
36S37.2Very low35.9Very low122 Ų122160.8 Ų160.885%0.85382%0.817SS**  trans-155.690.3153.8159.40000108.2
37T35.6Very low35.4Very low121 Ų121162 Ų16274%0.74282%0.821SS**  trans-61.4117.2166.5-51.70000110.3
38L33.2Very low34.9Very low160 Ų160157.7 Ų157.784%0.83882%0.815SS**  177.7105.6112.5-130.6108.9000109.7
39L29Very low34.4Very low164 Ų164157.2 Ų157.286%0.85982%0.818SS**  trans-100.3132.9159.1-89.5163.2000107
40Q36.2Very low34.1Very low173 Ų173159.5 Ų159.581%0.80882%0.819SS**  trans-177.5104138.6-105.1163.2-32.500109
41T29.8Very low34Very low102 Ų102157.9 Ų157.963%0.62682%0.818SS**  64.7117.8103.558.70000113.9
42F33.7Very low33.7Very low205 Ų205151 Ų15190%0.89981%0.81SS**  -171.4131.6102-95.4-72.9000110.7
43E29.7Very low33.1Very low167 Ų167149.7 Ų149.778%0.7881%0.813SS**  trans-72.9162.7169.8-71.7167.9127.300111.7
44N30.8Very low33.4Very low159 Ų159145.2 Ų145.285%0.8580%0.798SS**  trans88.7118.8157.8-53-37.7000117.9
45G28.6Very low33.3Very low75 Ų75142.9 Ų142.977%0.77379%0.789SS**  trans134.9101.4143.100000116.7
46S32.3Very low33.1Very low127 Ų127146.8 Ų146.889%0.88879%0.787SS**  trans72.3128.4138.8-151.20000121
47V35.7Very low33Very low123 Ų123147.5 Ų147.575%0.74578%0.782SS**  trans-69.8154.4168.2173.80000110
48D33.2Very low33.2Very low137 Ų137147.7 Ų147.773%0.73377%0.774SS**  trans80.3102.3176.2-69.6-32.1000116.6
49D34.9Very low33.5Very low155 Ų155143.8 Ų143.883%0.82977%0.772SS**  -159.5141.8112.9-110.4-33.4000115
50R35.5Very low33.9Very low216 Ų216138.2 Ų138.282%0.81575%0.747SS**  trans-70.7152.2174.2-74.3166.7-94.5-179.3-8109.4
51K32.7Very low34.4Very low202 Ų202134.9 Ų134.988%0.87874%0.74SS**  trans79.495.7168.6-57.7179.5173.5-179.80115.6
52A33.2Very low35.3Very low84 Ų84133.4 Ų133.469%0.69473%0.725SS**  trans-138.7108.2134.900000107.1V54A52-V54 HydrophobicContact CB-CG2 4.29Å; A52-V54 PolarHBondContact O-N 3.47Å
53D31.8Very low35.8Very low170 Ų170130.1 Ų130.191%0.90971%0.711SS**  trans-59.988.5162.1-71-50.5000107.7N55D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 3.17Å
54V40.7Very low37.3Very low91 Ų91125.5 Ų125.555%0.55269%0.694SS**  trans-79.691.7171.8-167.80000106.7A52 W56A52-V54 HydrophobicContact CB-CG2 4.29Å; A52-V54 PolarHBondContact O-N 3.47Å; V54-W56 HydrophobicContact CG1-CD2 4.23Å; V54-W56 HydrophobicContact CG1-CG 4.13Å; V54-W56 HydrophobicContact CG1-CZ2 4.44Å; V54-W56 PolarHBondContact O-N 3.47Å
55N31.9Very low38.7Very low138 Ų138121 Ų12174%0.73867%0.667SS**  trans-62.189.5163.7-17510.7000108.1D53 N57D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 3.17Å; N55-N57 PolarHBondContact O-N 3.42Å
56W30.4Very low40.3Very low191 Ų191120.6 Ų120.672%0.72365%0.647SS**  trans-71.470.7173.1-78.795.4000109.8V54 H58V54-W56 HydrophobicContact CG1-CD2 4.23Å; V54-W56 HydrophobicContact CG1-CG 4.13Å; V54-W56 HydrophobicContact CG1-CZ2 4.44Å; V54-W56 PolarHBondContact O-N 3.47Å; W56-H58 AromaticContact CE3-CD2 3.6Å; W56-H58 AromaticContact CZ3-CD2 3.51Å; W56-H58 AromaticContact CZ3-NE2 3.93Å; W56-H58 PolarHBondContact O-N 3.18Å
57N34.6Very low42.1Very low137 Ų137118.6 Ų118.673%0.73362%0.624SS**  trans-83.466.1164.7-151.318.5000108.7N55N55-N57 PolarHBondContact O-N 3.42Å
58H39.4Very low43.6Very low125 Ų125115.7 Ų115.758%0.57961%0.606SS**  trans-103.6100.3162.7-81.4-18000107.5W56 S60W56-H58 AromaticContact CE3-CD2 3.6Å; W56-H58 AromaticContact CZ3-CD2 3.51Å; W56-H58 AromaticContact CZ3-NE2 3.93Å; W56-H58 PolarHBondContact O-N 3.18Å; H58-S60 PolarHBondContact O-N 3.05Å; H58-S60 PolarHBondContact O-OG 3.18Å
59G39.3Very low45.4Very low78 Ų78109.8 Ų109.880%0.80457%0.574SS**  trans-55.381.9151.800000107.7
60S37.7Very low47.2Very low47 Ų47107.2 Ų107.233%0.32956%0.558SS.*  trans-84.4137.9-174.632.80000107.3H58 K62 K63H58-S60 PolarHBondContact O-N 3.05Å; H58-S60 PolarHBondContact O-OG 3.18Å; S60-K62 PolarHBondContact O-N 3.06Å; S60-K63 PolarHBondContact O-N 2.69Å
61P47.7Very low49.2Very low103 Ų103103.5 Ų103.567%0.66955%0.547SS*.THydrogen-bonded Turntrans-59.60.8-176.519.7-30.4000114.5T64P61-T64 WeakPolarHBondContact O-CB 3.22Å; P61-T64 PolarHBondContact O-OG1 3.22Å
62K47Very low51.1Low72 Ų7295 Ų9531%0.31351%0.511SS..THydrogen-bonded Turntrans-103.3-23-171.7-62.9172.1165.7-177.60113.4S60 T64 F65 Y172 Q175S60-K62 PolarHBondContact O-N 3.06Å; K62-T64 PolarHBondContact O-N 3.21Å; K62-F65 PolarHBondContact O-N 3.09Å; K62-Y172 PolarHBondContact NZ-O 3.1Å; K62-Q175 VanDerWaalsContact CD-NE2 3.25Å
63K45.3Very low53Low135 Ų13592 Ų9259%0.58748%0.484SS*.Hα-helixtrans-56-29.1160.3-76.4-174.5177.6-178.90110.4S60 F65 E67S60-K63 PolarHBondContact O-N 2.69Å; K63-F65 PolarHBondContact O-N 3.33Å; K63-E67 WeakPolarHBondContact O-CB 3.24Å; K63-E67 WeakPolarHBondContact O-CG 3.31Å; K63-E67 PolarHBondContact O-N 2.95Å; K63-E67 VanDerWaalsContact O-N 3.16Å
64T61.3Low55.2Low71 Ų7189.5 Ų89.544%0.43647%0.465SS..Hα-helixtrans-67.4-28.1179.180.30000114.6P61 K62 T68P61-T64 WeakPolarHBondContact O-CB 3.22Å; P61-T64 PolarHBondContact O-OG1 3.22Å; K62-T64 PolarHBondContact O-N 3.21Å; T64-T68 WeakPolarHBondContact O-CA 3.43Å; T64-T68 WeakPolarHBondContact O-CB 3.24Å; T64-T68 PolarHBondContact O-N 3.18Å; T64-T68 PolarHBondContact O-OG1 2.86Å
65F59Low56.8Low64 Ų6493.5 Ų93.528%0.28147%0.47SS..Hα-helixtrans-74-49.6-178-176.1-91.4000111.4K62 K63 E67 T68 I69 Y177K62-F65 PolarHBondContact O-N 3.09Å; K63-F65 PolarHBondContact O-N 3.33Å; F65-E67 VanDerWaalsContact C-N 3.29Å; F65-E67 PolarHBondContact O-N 2.99Å; F65-T68 CarbonylContact O-C 3.6Å; F65-T68 WeakPolarHBondContact O-CA 3.31Å; F65-T68 WeakPolarHBondContact O-CB 3.31Å; F65-T68 PolarHBondContact O-N 3.47Å; F65-I69 HydrophobicContact CD1-CG1 3.9Å; F65-I69 HydrophobicContact CE1-CD1 3.84Å; F65-I69 HydrophobicContact CE1-CG1 3.42Å; F65-I69 VanDerWaalsContact CE1-CG1 3.42Å; F65-I69 HydrophobicContact CE2-CD1 4.46Å; F65-I69 HydrophobicContact CE2-CG1 4.49Å; F65-I69 HydrophobicContact CZ-CD1 3.72Å; F65-I69 HydrophobicContact CZ-CG1 3.79Å; F65-I69 WeakPolarHBondContact O-CG1 3.41Å; F65-I69 PolarHBondContact O-N 3.44Å; F65-Y177 HydrophobicContact CD1-CE2 4.36Å; F65-Y177 VanDerWaalsContact CD1-OH 3.28Å; F65-Y177 WeakPolarHBondContact CD1-OH 3.4Å; F65-Y177 AromaticContact CE1-CE2 3.71Å; F65-Y177 HydrophobicContact CE1-CE2 3.71Å; F65-Y177 AromaticContact CE1-CZ 3.92Å; F65-Y177 VanDerWaalsContact CE1-OH 3.22Å; F65-Y177 WeakPolarHBondContact CE1-OH 3.49Å
66N62.2Low58.5Low66 Ų6688.5 Ų88.535%0.35345%0.446SS..Hα-helixtrans-60-42.2174-72.8-10.2000110.8T68 I69 E70 Y177N66-T68 VanDerWaalsContact C-N 3.28Å; N66-T68 PolarHBondContact O-N 3.46Å; N66-I69 PolarHBondContact O-N 3.41Å; N66-E70 WeakPolarHBondContact O-CG 3.31Å; N66-E70 PolarHBondContact O-N 3.31Å; N66-Y177 PolarHBondContact OD1-OH 3.35Å
67E71.3Confident60.1Low86 Ų8685.8 Ų85.840%0.40244%0.441SS..Hα-helixtrans-62.3-34.4172.4-72.8169-167.900112.6K63 F65 K71K63-E67 WeakPolarHBondContact O-CB 3.24Å; K63-E67 WeakPolarHBondContact O-CG 3.31Å; K63-E67 PolarHBondContact O-N 2.95Å; K63-E67 VanDerWaalsContact O-N 3.16Å; F65-E67 VanDerWaalsContact C-N 3.29Å; F65-E67 PolarHBondContact O-N 2.99Å; E67-K71 VanDerWaalsContact O-CB 3.29Å; E67-K71 WeakPolarHBondContact O-CB 3.45Å; E67-K71 WeakPolarHBondContact O-CG 3.25Å; E67-K71 PolarHBondContact O-N 3.31Å
68T67.5Low61.3Low61 Ų6183.1 Ų83.137%0.37443%0.433SS..Hα-helixtrans-68.6-45.5176-63.70000109.9T64 F65 N66 K71 L72T64-T68 WeakPolarHBondContact O-CA 3.43Å; T64-T68 WeakPolarHBondContact O-CB 3.24Å; T64-T68 PolarHBondContact O-N 3.18Å; T64-T68 PolarHBondContact O-OG1 2.86Å; F65-T68 CarbonylContact O-C 3.6Å; F65-T68 WeakPolarHBondContact O-CA 3.31Å; F65-T68 WeakPolarHBondContact O-CB 3.31Å; F65-T68 PolarHBondContact O-N 3.47Å; N66-T68 VanDerWaalsContact C-N 3.28Å; N66-T68 PolarHBondContact O-N 3.46Å; T68-K71 CarbonylContact O-C 3.52Å; T68-K71 PolarHBondContact O-N 3.28Å; T68-L72 HydrophobicContact CG2-CD1 4.07Å; T68-L72 HydrophobicContact CG2-CG 4.22Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 WeakPolarHBondContact O-CG 3.29Å; T68-L72 PolarHBondContact O-N 3.42Å
69I69.3Low62Low13 Ų1382 Ų827%0.06743%0.431CS..Hα-helixtrans-59.1-47.4174.5-68-67.6000110.3F65 N66 K71 L72 L73 V134 L147F65-I69 HydrophobicContact CD1-CG1 3.9Å; F65-I69 HydrophobicContact CE1-CD1 3.84Å; F65-I69 HydrophobicContact CE1-CG1 3.42Å; F65-I69 VanDerWaalsContact CE1-CG1 3.42Å; F65-I69 HydrophobicContact CE2-CD1 4.46Å; F65-I69 HydrophobicContact CE2-CG1 4.49Å; F65-I69 HydrophobicContact CZ-CD1 3.72Å; F65-I69 HydrophobicContact CZ-CG1 3.79Å; F65-I69 WeakPolarHBondContact O-CG1 3.41Å; F65-I69 PolarHBondContact O-N 3.44Å; N66-I69 PolarHBondContact O-N 3.41Å; I69-K71 PolarHBondContact O-N 3.32Å; I69-L72 PolarHBondContact O-N 2.83Å; I69-L73 HydrophobicContact CG2-CD1 3.77Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CB 3.28Å; I69-L73 VanDerWaalsContact O-CG 3.29Å; I69-L73 WeakPolarHBondContact O-CG 3.45Å; I69-L73 PolarHBondContact O-N 3.19Å; I69-V134 HydrophobicContact CD1-CG2 4.49Å; I69-L147 HydrophobicContact CB-CD2 4.45Å; I69-L147 HydrophobicContact CD1-CD2 3.83Å; I69-L147 HydrophobicContact CG2-CD1 4.33Å; I69-L147 HydrophobicContact CG2-CD2 3.58Å
70E73.8Confident62.6Low102 Ų10286.7 Ų86.748%0.47743%0.432SS..Hα-helixtrans-59.9-42.8174-77.6-171.6-160.400112.7N66 L72 L73 K74N66-E70 WeakPolarHBondContact O-CG 3.31Å; N66-E70 PolarHBondContact O-N 3.31Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L73 PolarHBondContact O-N 2.99Å; E70-K74 VanDerWaalsContact O-CB 3.31Å; E70-K74 WeakPolarHBondContact O-CB 3.35Å; E70-K74 VanDerWaalsContact O-CG 3.24Å; E70-K74 WeakPolarHBondContact O-CG 3.17Å; E70-K74 PolarHBondContact O-N 3.43Å; E70-K74 IonicContact OE2-NZ 3.32Å; E70-K74 PolarHBondContact OE2-NZ 2.85Å
71K76.1Confident63.1Low137 Ų13789.2 Ų89.260%0.59645%0.449SS*.Hα-helixtrans-64-39.7175.8-77.9168.7-176.6170.30111.4E67 T68 I69 R75E67-K71 VanDerWaalsContact O-CB 3.29Å; E67-K71 WeakPolarHBondContact O-CB 3.45Å; E67-K71 WeakPolarHBondContact O-CG 3.25Å; E67-K71 PolarHBondContact O-N 3.31Å; T68-K71 CarbonylContact O-C 3.52Å; T68-K71 PolarHBondContact O-N 3.28Å; I69-K71 PolarHBondContact O-N 3.32Å; K71-R75 VanDerWaalsContact O-CB 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.29Å; K71-R75 PolarHBondContact O-N 3.2Å
72L74.5Confident63Low23 Ų2389.5 Ų89.512%0.1245%0.449CS..Hα-helixtrans-66.3-43.7177-72.8-179.8000111.2T68 I69 E70 R75 S76 A132T68-L72 HydrophobicContact CG2-CD1 4.07Å; T68-L72 HydrophobicContact CG2-CG 4.22Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 WeakPolarHBondContact O-CG 3.29Å; T68-L72 PolarHBondContact O-N 3.42Å; I69-L72 PolarHBondContact O-N 2.83Å; E70-L72 VanDerWaalsContact C-N 3.34Å; L72-R75 PolarHBondContact O-N 2.97Å; L72-S76 PolarHBondContact O-N 3.47Å; L72-S76 VanDerWaalsContact O-N 3.09Å; L72-S76 PolarHBondContact O-OG 2.97Å; L72-A132 HydrophobicContact CD1-CB 4.13Å
73L72.1Confident62.8Low22 Ų2291.9 Ų91.912%0.11547%0.465CS..Hα-helixtrans-63.8-46.5175.3-74164.1000112I69 E70 R75 S76 Q77 H129 L147 F162I69-L73 HydrophobicContact CG2-CD1 3.77Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CB 3.28Å; I69-L73 VanDerWaalsContact O-CG 3.29Å; I69-L73 WeakPolarHBondContact O-CG 3.45Å; I69-L73 PolarHBondContact O-N 3.19Å; E70-L73 PolarHBondContact O-N 2.99Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 2.76Å; L73-S76 WeakPolarHBondContact CA-OG 3.3Å; L73-S76 PolarHBondContact O-N 2.81Å; L73-S76 PolarHBondContact O-OG 2.99Å; L73-Q77 PolarHBondContact O-N 3.27Å; L73-H129 VanDerWaalsContact CD2-CE1 3.45Å; L73-H129 WeakPolarHBondContact CD2-CE1 3.42Å; L73-L147 HydrophobicContact CD1-CD2 4.15Å; L73-L147 HydrophobicContact CD2-CD2 3.85Å; L73-L147 HydrophobicContact CD2-CG 4.4Å; L73-L147 HydrophobicContact CG-CD2 3.74Å; L73-F162 WeakPolarHBondContact CD1-O 3.34Å
74K78.4Confident62.7Low118 Ų11890.2 Ų90.251%0.51348%0.477SS..Hα-helixtrans-60-41.1175.4-76.3167-179.1159.70111.1E70 S76 Q77 S78E70-K74 VanDerWaalsContact O-CB 3.31Å; E70-K74 WeakPolarHBondContact O-CB 3.35Å; E70-K74 VanDerWaalsContact O-CG 3.24Å; E70-K74 WeakPolarHBondContact O-CG 3.17Å; E70-K74 PolarHBondContact O-N 3.43Å; E70-K74 IonicContact OE2-NZ 3.32Å; E70-K74 PolarHBondContact OE2-NZ 2.85Å; K74-S76 PolarHBondContact O-N 3.05Å; K74-Q77 PolarHBondContact O-N 2.98Å; K74-S78 PolarHBondContact O-N 3.25Å; K74-S78 PolarHBondContact O-OG 3.1Å
75R74Confident61.8Low174 Ų17494.2 Ų94.266%0.65750%0.495SS*.Hα-helixtrans-63.8-38.2177.3-171.9172.9-176169.21.2112.3K71 L72 L73 Q77 I79K71-R75 VanDerWaalsContact O-CB 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.29Å; K71-R75 PolarHBondContact O-N 3.2Å; L72-R75 PolarHBondContact O-N 2.97Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 2.76Å; R75-Q77 VanDerWaalsContact C-N 3.35Å; R75-I79 HydrophobicContact CG-CD1 4.04Å; R75-I79 VanDerWaalsContact O-CD1 3.31Å; R75-I79 WeakPolarHBondContact O-CD1 3.35Å; R75-I79 VanDerWaalsContact O-CG1 3.24Å; R75-I79 WeakPolarHBondContact O-CG1 3.24Å; R75-I79 PolarHBondContact O-N 2.73Å
76S67.6Low61.4Low34 Ų3497.8 Ų97.824%0.23852%0.516CS..Hα-helixtrans-65.1-36.6174.140.40000112.9L72 L73 K74L72-S76 PolarHBondContact O-N 3.47Å; L72-S76 VanDerWaalsContact O-N 3.09Å; L72-S76 PolarHBondContact O-OG 2.97Å; L73-S76 WeakPolarHBondContact CA-OG 3.3Å; L73-S76 PolarHBondContact O-N 2.81Å; L73-S76 PolarHBondContact O-OG 2.99Å; K74-S76 PolarHBondContact O-N 3.05Å
77Q64.7Low60.2Low133 Ų13399.9 Ų99.962%0.62154%0.536SS*.Hα-helixtrans-73.6-33.3179.9-69.1174.6-7.300113L73 K74 R75 I79L73-Q77 PolarHBondContact O-N 3.27Å; K74-Q77 PolarHBondContact O-N 2.98Å; R75-Q77 VanDerWaalsContact C-N 3.35Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 3.48Å
78S59.6Low59Low81 Ų81103.6 Ų103.657%0.56656%0.555SS**Hα-helixtrans-73.4-20.4177.2-550000113.6K74 E80K74-S78 PolarHBondContact O-N 3.25Å; K74-S78 PolarHBondContact O-OG 3.1Å; S78-E80 VanDerWaalsContact C-N 3.32Å
79I54.5Low58.1Low103 Ų103106.3 Ų106.353%0.52857%0.574SS.*Hα-helixtrans-78.1-17.8179.3-67.1166.4000111.6R75 Q77 S81R75-I79 HydrophobicContact CG-CD1 4.04Å; R75-I79 VanDerWaalsContact O-CD1 3.31Å; R75-I79 WeakPolarHBondContact O-CD1 3.35Å; R75-I79 VanDerWaalsContact O-CG1 3.24Å; R75-I79 WeakPolarHBondContact O-CG1 3.24Å; R75-I79 PolarHBondContact O-N 2.73Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 3.48Å; I79-S81 VanDerWaalsContact C-N 3.35Å; I79-S81 PolarHBondContact O-N 3.45Å
80E51.2Low57Low176 Ų176113.6 Ų113.682%0.82261%0.605SS**THydrogen-bonded Turntrans-851.4176.9-81.2178.8159.800114.7S78S78-E80 VanDerWaalsContact C-N 3.32Å
81S47.1Very low55.5Low100 Ų100115.6 Ų115.670%0.69962%0.624SS**THydrogen-bonded Turntrans-112.61.7-175.9-53.30000115.2I79I79-S81 VanDerWaalsContact C-N 3.35Å; I79-S81 PolarHBondContact O-N 3.45Å
82T46.7Very low53.8Low108 Ų108116.1 Ų116.166%0.66363%0.63SS**SBendtrans-14362.8-179.359.90000111.1
83D42.4Very low52.4Low122 Ų122119.9 Ų119.965%0.65266%0.664SS**  trans-153.860.5163.5-92.9-32.7000109.1
84A43.6Very low50.9Low101 Ų101127.6 Ų127.684%0.83571%0.705SS**SBendtrans-118.840.8163.400000109.4
85D43.2Very low48.9Very low154 Ų154125.4 Ų125.482%0.82472%0.716SS**  trans-166.956.5167.3-135.1-4000113.3
86I49.6Very low47.7Very low140 Ų140125.8 Ų125.872%0.71873%0.73SS**  trans-130.987.4162.1-56.5-179.7000108.5M88I86-M88 PolarHBondContact O-N 3.02Å
87S37.5Very low47Very low109 Ų109132.8 Ų132.876%0.76276%0.759SS**  trans-50.5115.5165.4175.10000110.2
88M46.4Very low46.4Very low164 Ų164130.9 Ų130.981%0.80876%0.758SS**  trans-53.7137.2169.3-67-166.282.100110.4I86 K90I86-M88 PolarHBondContact O-N 3.02Å; M88-K90 PolarHBondContact O-N 2.83Å
89P48.4Very low46Very low118 Ų118134.4 Ų134.477%0.76677%0.771SS**  trans-69.8118.4172.326.9-29.5000109.2V91P89-V91 PolarHBondContact O-N 3.01Å
90K45.2Very low46Very low167 Ų167135.7 Ų135.773%0.72678%0.783SS**  trans-63.5106.6171.1-178.1169.8178.8175.70109.3M88 M92M88-K90 PolarHBondContact O-N 2.83Å; K90-M92 HydrophobicContact CD-SD 4.41Å; K90-M92 WeakPolarHBondContact CE-SD 3.43Å; K90-M92 HydrophobicContact CG-CG 4.04Å; K90-M92 HydrophobicContact CG-SD 4.44Å; K90-M92 PolarHBondContact O-N 2.95Å
91V42.3Very low45.7Very low143 Ų143132.9 Ų132.987%0.86778%0.78SS**  trans-76.6102.1167.8-173.40000107.6P89P89-V91 PolarHBondContact O-N 3.01Å
92M41.8Very low45.7Very low149 Ų149136.3 Ų136.373%0.73479%0.79SS**  trans-141.9111.9166.7-78-166.2175.100108.8K90K90-M92 HydrophobicContact CD-SD 4.41Å; K90-M92 WeakPolarHBondContact CE-SD 3.43Å; K90-M92 HydrophobicContact CG-CG 4.04Å; K90-M92 HydrophobicContact CG-SD 4.44Å; K90-M92 PolarHBondContact O-N 2.95Å
93A44.2Very low45.8Very low101 Ų101142.4 Ų142.484%0.83580%0.801SS**  trans178.799.3136.900000108.9
94L39.8Very low46.1Very low185 Ų185140.9 Ų140.997%0.96981%0.805SS**  trans-76141155.5-70.4166.3000107.9
95G38.1Very low46.7Very low72 Ų72140.9 Ų140.974%0.74281%0.805SS**  trans126.698.6160.500000113.6
96L47.4Very low47.2Very low182 Ų182139.4 Ų139.495%0.95380%0.804SS**  trans-164.2112.7137.3-96.8159.8000107.3
97E54.1Low47.4Very low180 Ų180137.3 Ų137.384%0.84180%0.802SS**  trans-81.9169.1-176.2-80.3-72.3128.900112.4
98P51.1Low48.2Very low93 Ų93138.8 Ų138.860%0.60480%0.801SS**  trans-102.2171.3-148.340.3-36.1000114.2
99N51.9Low48.6Very low156 Ų156138.9 Ų138.983%0.83480%0.8SS**  trans164.1131.7150.9-80.5-33.5000106.4
100T54.7Low48.7Very low129 Ų129140.6 Ų140.679%0.79180%0.802SS**  cis-169.4147.835.6-34.60000107.4
101P44.2Very low49Very low117 Ų117142.1 Ų142.176%0.7681%0.812SS**  trans-98.4142-176.734.8-29.6000113.6
102L47.6Very low49.4Very low173 Ų173145.3 Ų145.391%0.90681%0.814SS**  trans-147.995.6166.6-102.7151.6000112
103R49.7Very low49.4Very low236 Ų236141.4 Ų141.489%0.89181%0.812SS**  trans16.6122.8133.9-174.1172.4176.2-175.5-1.5118.7
104A48.2Very low49.9Very low89 Ų89140.8 Ų140.874%0.73681%0.807SS**  167.8111.910600000113.5
105A56Low50.7Low102 Ų102137.7 Ų137.784%0.84380%0.796SS**  trans48.8148139.200000124.2
106P53.9Low51.5Low122 Ų122140.9 Ų140.979%0.79280%0.796SS**  trans-106.6162.4-162.340.6-29.3000113.5
107S52.3Low52Low97 Ų97140.7 Ų140.768%0.67879%0.79SS**  trans-170.7134.6155.457.20000111.7
108N55.1Low52.2Low140 Ų140136.3 Ų136.375%0.74978%0.784SS**  trans96.9143.3153.5-47.7-25.8000117.9
109E55.7Low52.9Low166 Ų166136.6 Ų136.678%0.77680%0.795SS**  cis-164.9143.1-33.1-79.3-158.2151.100102.3
110D49.8Very low54.2Low154 Ų154134 Ų13482%0.82479%0.789SS**  trans37.692.1156.1-62.5-37.5000120.1
111E51.4Low55.5Low199 Ų199134.8 Ų134.893%0.9379%0.787SS**  trans-120.7111.1150-112-166.2123.800111.1G113E111-G113 PolarHBondContact O-N 2.8Å
112K50.5Low57.6Low209 Ų209134.8 Ų134.891%0.90979%0.787SS**  trans-51.8108.2175.4-73.5172.2175.11730110.1A114K112-A114 PolarHBondContact O-N 3.17Å
113G42.3Very low59.5Low68 Ų68138.1 Ų138.170%0.70179%0.788SS**  trans-57.3107.4169.300000110.7E111 V115E111-G113 PolarHBondContact O-N 2.8Å; G113-V115 PolarHBondContact O-N 3.36Å
114A54.9Low61.3Low88 Ų88133.3 Ų133.373%0.72778%0.784SS**  trans-63.397.8164.900000108.1K112 N116K112-A114 PolarHBondContact O-N 3.17Å; A114-N116 PolarHBondContact O-N 2.95Å
115V55.8Low63.3Low120 Ų120132 Ų13273%0.72777%0.774SS**  trans-61.8108.1169.4179.20000107G113 Q117G113-V115 PolarHBondContact O-N 3.36Å; V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.42Å
116N55.8Low65Low139 Ų139135.2 Ų135.274%0.74377%0.771SS**  trans-61.590.3174.7-83.3-38.6000110A114 A118A114-N116 PolarHBondContact O-N 2.95Å; N116-A118 PolarHBondContact O-N 3.23Å
117Q56.6Low66.6Low177 Ų177134.9 Ų134.983%0.82776%0.762SS**THydrogen-bonded Turntrans-68.35.9178.9-71.9179.42700114.2V115 A119V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.42Å; Q117-A119 VanDerWaalsContact C-N 3.34Å
118A58.9Low68.3Low88 Ų88134.1 Ų134.173%0.72775%0.748SS**THydrogen-bonded Turntrans-84.3-1.1177.200000114.3N116 S120N116-A118 PolarHBondContact O-N 3.23Å; A118-S120 PolarHBondContact O-N 3.17Å
119A65.6Low69.6Low100 Ų100128.3 Ų128.383%0.82672%0.716SS**THydrogen-bonded Turntrans-77.96.4-175.600000115.4Q117Q117-A119 VanDerWaalsContact C-N 3.34Å
120S79.6Confident71.3Confident101 Ų101128 Ų12871%0.70671%0.709SS**THydrogen-bonded Turntrans-99.3-9.9-171.659.80000115.8A118A118-S120 PolarHBondContact O-N 3.17Å
121I82.1Confident73.2Confident145 Ų145123.1 Ų123.174%0.74468%0.682SS**SBendtrans-106.5119.9179.1-56175.1000109.3R123I121-R123 PolarHBondContact O-N 2.61Å
122P87.9Confident75Confident118 Ų118113.9 Ų113.977%0.76664%0.64SS**PPolyproline II helixtrans-56.9130.7174-24.634000111.8
123R87.8Confident77.1Confident243 Ų243106.5 Ų106.592%0.91761%0.613SS**PPolyproline II helixtrans-76.1126.2175.7-174.6178178.3-178.80.3110.2I121 A125I121-R123 PolarHBondContact O-N 2.61Å; R123-A125 PolarHBondContact O-N 3.47Å
124V88.2Confident79.6Confident134 Ų134103.2 Ų103.281%0.81258%0.58SS**PPolyproline II helixtrans-67.8125174.9-178.70000109.8
125A89Confident81.6Confident63 Ų63102.7 Ų102.752%0.52156%0.562SS.*PPolyproline II helixtrans-76.2146.6174.900000111R123 L127R123-A125 PolarHBondContact O-N 3.47Å; A125-L127 PolarHBondContact O-N 3.18Å
126Q91.3Very high83.6Confident169 Ų16997 Ų9779%0.7953%0.528SS*.PPolyproline II helixtrans-65.6132.1167.3-69.7-175.6-8.900109.6H128 N131Q126-H128 PolarHBondContact O-ND1 3.44Å; Q126-H128 VanDerWaalsContact O-ND1 3.1Å; Q126-N131 PolarHBondContact O-ND2 2.65Å
127L88.2Confident85.6Confident114 Ų11491.1 Ų91.160%0.59750%0.496SS*.PPolyproline II helixtrans-79132.9-179.7-60.6-177.5000110.9A125 N131 A132A125-L127 PolarHBondContact O-N 3.18Å; L127-N131 WeakPolarHBondContact CA-OD1 3.41Å; L127-A132 HydrophobicContact CB-CB 4.22Å
128H87.2Confident87.6Confident82 Ų8282.7 Ų82.738%0.3846%0.457SS..  trans-144.3167.4178.753.6-97000109.6Q126 Y130 N131 A132Q126-H128 PolarHBondContact O-ND1 3.44Å; Q126-H128 VanDerWaalsContact O-ND1 3.1Å; H128-Y130 AromaticContact CD2-CD2 3.87Å; H128-Y130 PolarHBondContact CD2-N 3.1Å; H128-Y130 PolarHBondContact O-N 3.18Å; H128-N131 PolarHBondContact CE1-ND2 3.01Å; H128-N131 PolarHBondContact CE1-OD1 3.38Å; H128-N131 PolarHBondContact N-OD1 3.38Å; H128-N131 PolarHBondContact ND1-ND2 3.12Å; H128-N131 PolarHBondContact ND1-OD1 3.16Å; H128-N131 PolarHBondContact O-N 3.03Å; H128-N131 PolarHBondContact O-OD1 3.03Å; H128-N131 VanDerWaalsContact O-OD1 3.05Å; H128-A132 VanDerWaalsContact O-CB 3.24Å; H128-A132 WeakPolarHBondContact O-CB 3.48Å; H128-A132 PolarHBondContact O-N 3.5Å
129H84.3Confident89.4Confident17 Ų1780.6 Ų80.68%0.07944%0.444CS..THydrogen-bonded Turntrans-45.4-36.9-178.3-175.688.8000114.5L73 L147 A148 T151L73-H129 VanDerWaalsContact CD2-CE1 3.45Å; L73-H129 WeakPolarHBondContact CD2-CE1 3.42Å; H129-L147 WeakPolarHBondContact CE1-CG 3.23Å; H129-L147 WeakPolarHBondContact ND1-CD2 3.38Å; H129-L147 VanDerWaalsContact ND1-CG 3.28Å; H129-L147 WeakPolarHBondContact ND1-CG 3.14Å; H129-L147 PolarHBondContact O-N 2.65Å; H129-A148 VanDerWaalsContact CD2-CA 3.45Å; H129-A148 WeakPolarHBondContact CD2-CA 3.36Å; H129-A148 PolarHBondContact CD2-N 3.49Å; H129-A148 VanDerWaalsContact NE2-CA 3.31Å; H129-A148 WeakPolarHBondContact NE2-CA 3.42Å; H129-A148 PolarHBondContact NE2-N 3.28Å; H129-A148 PolarHBondContact O-N 3.22Å; H129-T151 PolarHBondContact CE1-OG1 3.13Å; H129-T151 VanDerWaalsContact CE1-OG1 3.28Å; H129-T151 PolarHBondContact NE2-OG1 3.36Å
130Y90.2Very high90.9Very high160 Ų16078.6 Ų78.663%0.62743%0.433SS*.THydrogen-bonded Turntrans-80.5-20-178.1-54.3-88.2000115.7H128 T146 A148H128-Y130 AromaticContact CD2-CD2 3.87Å; H128-Y130 PolarHBondContact CD2-N 3.1Å; H128-Y130 PolarHBondContact O-N 3.18Å; Y130-T146 WeakPolarHBondContact O-CG2 3.48Å; Y130-A148 HydrophobicContact CD1-CB 3.4Å; Y130-A148 HydrophobicContact CE1-CB 3.99Å; Y130-A148 HydrophobicContact CG-CB 4.05Å
131N89.9Confident91.8Very high51 Ų5176.3 Ų76.327%0.27342%0.415SS..THydrogen-bonded Turntrans-129.1-9.3-175.976.6-10000114.5Q126 L127 H128 P133Q126-N131 PolarHBondContact O-ND2 2.65Å; L127-N131 WeakPolarHBondContact CA-OD1 3.41Å; H128-N131 PolarHBondContact CE1-ND2 3.01Å; H128-N131 PolarHBondContact CE1-OD1 3.38Å; H128-N131 PolarHBondContact N-OD1 3.38Å; H128-N131 PolarHBondContact ND1-ND2 3.12Å; H128-N131 PolarHBondContact ND1-OD1 3.16Å; H128-N131 PolarHBondContact O-N 3.03Å; H128-N131 PolarHBondContact O-OD1 3.03Å; H128-N131 VanDerWaalsContact O-OD1 3.05Å; N131-P133 WeakPolarHBondContact O-CD 3.15Å
132A89.6Confident92.5Very high5 Ų574 Ų744%0.04141%0.407CS..SBendtrans-68.9122.9178.200000109.5L72 L127 H128 V134 T146L72-A132 HydrophobicContact CD1-CB 4.13Å; L127-A132 HydrophobicContact CB-CB 4.22Å; H128-A132 VanDerWaalsContact O-CB 3.24Å; H128-A132 WeakPolarHBondContact O-CB 3.48Å; H128-A132 PolarHBondContact O-N 3.5Å; A132-V134 PolarHBondContact O-N 3.41Å; A132-T146 WeakPolarHBondContact O-CA 3.49Å
133P94.6Very high93Very high54 Ų5470.2 Ų70.235%0.35138%0.378SS..EExtended strand (participates in β ladder)trans-67.3135.3179.427-32.9000110.6N131 T144 T145N131-P133 WeakPolarHBondContact O-CD 3.15Å; P133-T144 HydrophobicContact CB-CG2 3.86Å; P133-T145 CarbonylContact C-O 3.59Å; P133-T145 WeakPolarHBondContact CA-O 3.47Å
134V95.3Very high93.5Very high0 Ų062 Ų620%036%0.355CS..EExtended strand (participates in β ladder)trans-117.2119.8171.2-177.70000107.3I69 A132 L136 T144 T145 L147 L150 F162 Y177I69-V134 HydrophobicContact CD1-CG2 4.49Å; A132-V134 PolarHBondContact O-N 3.41Å; V134-L136 HydrophobicContact CG1-CD2 3.95Å; V134-T144 WeakPolarHBondContact O-CA 3.36Å; V134-T145 PolarHBondContact N-O 3.43Å; V134-T145 PolarHBondContact O-N 3.17Å; V134-L147 HydrophobicContact CG2-CB 4.28Å; V134-L150 HydrophobicContact CB-CD1 4.14Å; V134-L150 HydrophobicContact CG1-CD1 3.82Å; V134-F162 HydrophobicContact CG1-CD1 4.39Å; V134-F162 HydrophobicContact CG1-CE1 3.93Å; V134-Y177 HydrophobicContact CG1-CD2 3.93Å; V134-Y177 HydrophobicContact CG1-CE2 4.05Å
135H96.8Very high93.9Very high77 Ų7756.1 Ų56.136%0.35632%0.319SS..EExtended strand (participates in β ladder)trans-94.5131.2179.6-58.5-63.4000110.7T144 N176 Y177H135-T144 PolarHBondContact ND1-OG1 2.83Å; H135-N176 WeakPolarHBondContact CB-OD1 3.11Å; H135-Y177 PolarHBondContact O-N 3.37Å
136L97.7Very high94.3Very high0 Ų054.4 Ų54.40%030%0.303CS..EExtended strand (participates in β ladder)trans-123.7142.3-176.5-51.1173.5000109.2V134 I138 T142 Y143 T145 L150 F162 Y177 F186V134-L136 HydrophobicContact CG1-CD2 3.95Å; L136-I138 HydrophobicContact CB-CD1 3.93Å; L136-I138 HydrophobicContact CB-CG1 4.23Å; L136-I138 HydrophobicContact CD1-CD1 4.48Å; L136-T142 CarbonylContact O-C 3.54Å; L136-T142 VanDerWaalsContact O-CA 3.29Å; L136-T142 WeakPolarHBondContact O-CA 3.15Å; L136-Y143 PolarHBondContact N-O 3.28Å; L136-Y143 PolarHBondContact O-N 3.39Å; L136-T145 HydrophobicContact CD1-CG2 4.09Å; L136-L150 HydrophobicContact CD1-CD1 4.35Å; L136-L150 HydrophobicContact CD1-CD2 4.04Å; L136-L150 HydrophobicContact CD2-CD1 4.3Å; L136-F162 HydrophobicContact CD2-CE1 3.98Å; L136-F162 HydrophobicContact CD2-CE2 4.13Å; L136-F162 HydrophobicContact CD2-CZ 3.35Å; L136-Y177 CarbonylContact C-O 3.51Å; L136-Y177 WeakPolarHBondContact CA-O 3.5Å; L136-Y177 HydrophobicContact CD2-CD2 4.49Å; L136-F186 HydrophobicContact CD1-CE1 3.92Å; L136-F186 HydrophobicContact CD1-CZ 3.89Å
137D97.9Very high94.5Very high16 Ų1646.4 Ų46.49%0.08627%0.265CS..EExtended strand (participates in β ladder)trans-115.6107.5166.2-171.4-27.4000107.2G140 K174 N176 Y177 F178 I179D137-G140 WeakPolarHBondContact OD1-CA 3.48Å; D137-G140 PolarHBondContact OD1-N 2.84Å; D137-K174 IonicContact OD2-NZ 3.92Å; D137-N176 HydrophobicContact CB-CB 4.18Å; D137-Y177 PolarHBondContact N-O 3.02Å; D137-F178 HydrophobicContact CB-CD2 4.15Å; D137-F178 CarbonylContact O-C 3.57Å; D137-F178 WeakPolarHBondContact O-CA 3.22Å; D137-F178 WeakPolarHBondContact O-CD2 3.28Å; D137-I179 PolarHBondContact O-N 2.93Å
138I98.1Very high94.9Very high0 Ų041.9 Ų41.90%024%0.244CC..EExtended strand (participates in β ladder)trans-107.998.2-177.6-46.5-63000107.8L136 G140 T141 Y143 I179 R181 G183 F186L136-I138 HydrophobicContact CB-CD1 3.93Å; L136-I138 HydrophobicContact CB-CG1 4.23Å; L136-I138 HydrophobicContact CD1-CD1 4.48Å; I138-G140 PolarHBondContact O-N 3.16Å; I138-G140 VanDerWaalsContact O-N 3.14Å; I138-T141 PolarHBondContact N-O 3.28Å; I138-T141 PolarHBondContact O-N 3.41Å; I138-Y143 HydrophobicContact CB-CD2 4.3Å; I138-Y143 HydrophobicContact CB-CE2 4.43Å; I138-Y143 HydrophobicContact CG1-CD2 3.79Å; I138-Y143 HydrophobicContact CG1-CE2 4.33Å; I138-I179 WeakPolarHBondContact CA-O 3.48Å; I138-I179 HydrophobicContact CD1-CB 3.71Å; I138-I179 HydrophobicContact CD1-CD1 3.84Å; I138-I179 HydrophobicContact CD1-CG1 4.04Å; I138-I179 HydrophobicContact CD1-CG2 4.48Å; I138-R181 CarbonylContact C-O 3.51Å; I138-R181 HydrophobicContact CG2-CB 4.06Å; I138-G183 VanDerWaalsContact O-CA 3.26Å; I138-G183 WeakPolarHBondContact O-CA 3.33Å; I138-F186 HydrophobicContact CB-CB 4.45Å; I138-F186 HydrophobicContact CB-CG 4.42Å; I138-F186 HydrophobicContact CD1-CD1 4.39Å; I138-F186 HydrophobicContact CD1-CD2 4.47Å; I138-F186 HydrophobicContact CD1-CE1 4.22Å; I138-F186 HydrophobicContact CD1-CE2 4.32Å; I138-F186 HydrophobicContact CD1-CG 4.49Å; I138-F186 HydrophobicContact CD1-CZ 4.18Å; I138-F186 HydrophobicContact CG1-CB 4.47Å; I138-F186 HydrophobicContact CG1-CD1 3.71Å; I138-F186 HydrophobicContact CG1-CD2 4.38Å; I138-F186 HydrophobicContact CG1-CE1 3.93Å; I138-F186 HydrophobicContact CG1-CG 3.93Å; I138-F186 HydrophobicContact CG1-CZ 4.36Å; I138-F186 HydrophobicContact CG2-CB 3.91Å; I138-F186 HydrophobicContact CG2-CD2 4.34Å; I138-F186 HydrophobicContact CG2-CG 4.07Å
139G97Very high95.4Very high43 Ų4339 Ų3944%0.44323%0.233SC..THydrogen-bonded Turntrans53.933.2-178.100000114.3I179 R181G139-I179 PolarHBondContact N-O 2.93Å; G139-R181 VanDerWaalsContact CA-O 3.27Å; G139-R181 WeakPolarHBondContact CA-O 3.43Å; G139-R181 PolarHBondContact N-O 2.97Å
140G96.2Very high96Very high58 Ų5838.2 Ų38.260%0.59823%0.229SC*.THydrogen-bonded Turntrans95.2-8.6-176.900000115D137 I138D137-G140 WeakPolarHBondContact OD1-CA 3.48Å; D137-G140 PolarHBondContact OD1-N 2.84Å; I138-G140 PolarHBondContact O-N 3.16Å; I138-G140 VanDerWaalsContact O-N 3.14Å
141T97.9Very high96.3Very high54 Ų5431.8 Ų31.833%0.33121%0.207SC..EExtended strand (participates in β ladder)trans-95.8124.2175.1-53.80000110.5I138 Y143I138-T141 PolarHBondContact N-O 3.28Å; I138-T141 PolarHBondContact O-N 3.41Å; T141-Y143 HydrophobicContact CG2-CD2 4.23Å; T141-Y143 HydrophobicContact CG2-CE2 3.48Å; T141-Y143 VanDerWaalsContact CG2-CE2 3.48Å
142T97.5Very high96.7Very high96 Ų9634.2 Ų34.259%0.58921%0.214SC*.EExtended strand (participates in β ladder)trans-88133.6-177.155.80000112.6L136L136-T142 CarbonylContact O-C 3.54Å; L136-T142 VanDerWaalsContact O-CA 3.29Å; L136-T142 WeakPolarHBondContact O-CA 3.15Å
143Y98.4Very high97Very high38 Ų3836.1 Ų36.115%0.14922%0.221CC..EExtended strand (participates in β ladder)trans-126.2151.4174.7-71.4-85.7000110.7L136 I138 T141 G183 F186 R187 L190L136-Y143 PolarHBondContact N-O 3.28Å; L136-Y143 PolarHBondContact O-N 3.39Å; I138-Y143 HydrophobicContact CB-CD2 4.3Å; I138-Y143 HydrophobicContact CB-CE2 4.43Å; I138-Y143 HydrophobicContact CG1-CD2 3.79Å; I138-Y143 HydrophobicContact CG1-CE2 4.33Å; T141-Y143 HydrophobicContact CG2-CD2 4.23Å; T141-Y143 HydrophobicContact CG2-CE2 3.48Å; T141-Y143 VanDerWaalsContact CG2-CE2 3.48Å; Y143-G183 VanDerWaalsContact CE2-O 3.24Å; Y143-G183 WeakPolarHBondContact CE2-O 3.42Å; Y143-G183 VanDerWaalsContact CZ-O 3.25Å; Y143-G183 PolarHBondContact OH-O 3.03Å; Y143-F186 HydrophobicContact CD1-CD1 4.25Å; Y143-F186 AromaticContact CD2-CD1 3.57Å; Y143-F186 HydrophobicContact CD2-CD1 3.57Å; Y143-F186 HydrophobicContact CD2-CE1 4.13Å; Y143-F186 HydrophobicContact CE1-CD1 4.38Å; Y143-F186 HydrophobicContact CE2-CB 4.17Å; Y143-F186 AromaticContact CE2-CD1 3.71Å; Y143-F186 HydrophobicContact CE2-CD1 3.71Å; Y143-F186 HydrophobicContact CE2-CG 4.39Å; Y143-F186 AromaticContact CG-CD1 3.85Å; Y143-F186 HydrophobicContact CG-CD1 3.85Å; Y143-F186 HydrophobicContact CG-CE1 4.08Å; Y143-R187 HydrophobicContact CE1-CB 4.3Å; Y143-R187 WeakPolarHBondContact OH-CB 3.29Å; Y143-R187 PolarHBondContact OH-N 3.22Å; Y143-L190 HydrophobicContact CD1-CD2 3.67Å; Y143-L190 HydrophobicContact CE1-CD2 4.4Å; Y143-L190 HydrophobicContact CG-CD2 4.26Å
144T97.8Very high97.1Very high72 Ų7238.1 Ų38.144%0.44224%0.236SC..EExtended strand (participates in β ladder)trans-128.9131.9169.6-56.50000109.4P133 V134 H135 R194P133-T144 HydrophobicContact CB-CG2 3.86Å; V134-T144 WeakPolarHBondContact O-CA 3.36Å; H135-T144 PolarHBondContact ND1-OG1 2.83Å; T144-R194 PolarHBondContact O-NH2 3.04Å
145T97.8Very high97.2Very high9 Ų941.6 Ų41.66%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-149.3-162.5-179.8-166.10000110.2P133 V134 L136 T149 L150 L190P133-T145 CarbonylContact C-O 3.59Å; P133-T145 WeakPolarHBondContact CA-O 3.47Å; V134-T145 PolarHBondContact N-O 3.43Å; V134-T145 PolarHBondContact O-N 3.17Å; L136-T145 HydrophobicContact CD1-CG2 4.09Å; T145-T149 WeakPolarHBondContact OG1-CB 3.44Å; T145-T149 WeakPolarHBondContact OG1-CG2 3.21Å; T145-T149 PolarHBondContact OG1-OG1 2.99Å; T145-L150 HydrophobicContact CG2-CD1 3.73Å; T145-L150 HydrophobicContact CG2-CD2 3.83Å; T145-L150 HydrophobicContact CG2-CG 3.63Å; T145-L190 HydrophobicContact CG2-CD1 4.12Å
146T96.7Very high97.2Very high28 Ų2837.9 Ų37.917%0.17224%0.238CC..EExtended strand (participates in β ladder)trans-120.6159.7176.963.80000111.2Y130 A132 A148 T149 L150Y130-T146 WeakPolarHBondContact O-CG2 3.48Å; A132-T146 WeakPolarHBondContact O-CA 3.49Å; T146-A148 VanDerWaalsContact C-N 3.27Å; T146-A148 PolarHBondContact O-N 3.23Å; T146-T149 WeakPolarHBondContact O-CB 3.38Å; T146-T149 PolarHBondContact O-N 3.31Å; T146-T149 VanDerWaalsContact O-N 3.08Å; T146-T149 PolarHBondContact OG1-N 2.81Å; T146-T149 PolarHBondContact OG1-OG1 2.76Å; T146-T149 VanDerWaalsContact OG1-OG1 3.04Å; T146-L150 PolarHBondContact O-N 3.08Å
147L95.4Very high97.2Very high1 Ų140 Ų401%0.00525%0.247CC..Hα-helixtrans-62.7-37178.1-163.660000111.6I69 L73 H129 V134 T149 L150 T151 F162I69-L147 HydrophobicContact CB-CD2 4.45Å; I69-L147 HydrophobicContact CD1-CD2 3.83Å; I69-L147 HydrophobicContact CG2-CD1 4.33Å; I69-L147 HydrophobicContact CG2-CD2 3.58Å; L73-L147 HydrophobicContact CD1-CD2 4.15Å; L73-L147 HydrophobicContact CD2-CD2 3.85Å; L73-L147 HydrophobicContact CD2-CG 4.4Å; L73-L147 HydrophobicContact CG-CD2 3.74Å; H129-L147 WeakPolarHBondContact CE1-CG 3.23Å; H129-L147 WeakPolarHBondContact ND1-CD2 3.38Å; H129-L147 VanDerWaalsContact ND1-CG 3.28Å; H129-L147 WeakPolarHBondContact ND1-CG 3.14Å; H129-L147 PolarHBondContact O-N 2.65Å; V134-L147 HydrophobicContact CG2-CB 4.28Å; L147-T149 VanDerWaalsContact C-N 3.26Å; L147-T149 PolarHBondContact O-N 2.97Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-T151 HydrophobicContact CD1-CG2 4.24Å; L147-T151 HydrophobicContact CG-CG2 4.34Å; L147-T151 WeakPolarHBondContact O-CB 3.35Å; L147-T151 WeakPolarHBondContact O-CG2 3.18Å; L147-T151 PolarHBondContact O-N 2.78Å; L147-T151 PolarHBondContact O-OG1 3.43Å; L147-F162 HydrophobicContact CD1-CB 3.71Å; L147-F162 HydrophobicContact CD1-CD1 4.3Å; L147-F162 HydrophobicContact CD1-CG 4.36Å
148A96.4Very high97.2Very high19 Ų1939.2 Ų39.216%0.15724%0.243CC..Hα-helixtrans-56.4-37.7172.100000113.6H129 Y130 T146 K152H129-A148 VanDerWaalsContact CD2-CA 3.45Å; H129-A148 WeakPolarHBondContact CD2-CA 3.36Å; H129-A148 PolarHBondContact CD2-N 3.49Å; H129-A148 VanDerWaalsContact NE2-CA 3.31Å; H129-A148 WeakPolarHBondContact NE2-CA 3.42Å; H129-A148 PolarHBondContact NE2-N 3.28Å; H129-A148 PolarHBondContact O-N 3.22Å; Y130-A148 HydrophobicContact CD1-CB 3.4Å; Y130-A148 HydrophobicContact CE1-CB 3.99Å; Y130-A148 HydrophobicContact CG-CB 4.05Å; T146-A148 VanDerWaalsContact C-N 3.27Å; T146-A148 PolarHBondContact O-N 3.23Å; A148-K152 WeakPolarHBondContact O-CB 3.42Å; A148-K152 PolarHBondContact O-N 2.95Å; A148-K152 VanDerWaalsContact O-N 3.17Å
149T98Very high97.2Very high21 Ų2139.4 Ų39.413%0.12925%0.245CC..Hα-helixtrans-69.8-44.6178-57.40000111.1T145 T146 L147 T151 L190 L193 R194T145-T149 WeakPolarHBondContact OG1-CB 3.44Å; T145-T149 WeakPolarHBondContact OG1-CG2 3.21Å; T145-T149 PolarHBondContact OG1-OG1 2.99Å; T146-T149 WeakPolarHBondContact O-CB 3.38Å; T146-T149 PolarHBondContact O-N 3.31Å; T146-T149 VanDerWaalsContact O-N 3.08Å; T146-T149 PolarHBondContact OG1-N 2.81Å; T146-T149 PolarHBondContact OG1-OG1 2.76Å; T146-T149 VanDerWaalsContact OG1-OG1 3.04Å; L147-T149 VanDerWaalsContact C-N 3.26Å; L147-T149 PolarHBondContact O-N 2.97Å; T149-T151 VanDerWaalsContact C-N 3.29Å; T149-T151 PolarHBondContact O-N 2.59Å; T149-L190 HydrophobicContact CG2-CD1 3.95Å; T149-L193 HydrophobicContact CG2-CB 3.65Å; T149-R194 HydrophobicContact CG2-CG 3.79Å
150L97.7Very high97.2Very high0 Ų040.1 Ų40.10%024%0.235CC..Hα-helixtrans-70.8-25.3-177.3-65.2171.1000113.3V134 L136 T145 T146 L147 L158 A159 F162 L193V134-L150 HydrophobicContact CB-CD1 4.14Å; V134-L150 HydrophobicContact CG1-CD1 3.82Å; L136-L150 HydrophobicContact CD1-CD1 4.35Å; L136-L150 HydrophobicContact CD1-CD2 4.04Å; L136-L150 HydrophobicContact CD2-CD1 4.3Å; T145-L150 HydrophobicContact CG2-CD1 3.73Å; T145-L150 HydrophobicContact CG2-CD2 3.83Å; T145-L150 HydrophobicContact CG2-CG 3.63Å; T146-L150 PolarHBondContact O-N 3.08Å; L147-L150 PolarHBondContact O-N 3.47Å; L150-L158 HydrophobicContact CD2-CD1 4.37Å; L150-L158 HydrophobicContact CD2-CD2 4.4Å; L150-L158 CarbonylContact O-C 3.51Å; L150-A159 PolarHBondContact O-N 3.36Å; L150-F162 HydrophobicContact CB-CB 4.26Å; L150-F162 HydrophobicContact CB-CD2 3.99Å; L150-F162 HydrophobicContact CB-CG 4.18Å; L150-F162 HydrophobicContact CD1-CD1 3.97Å; L150-F162 HydrophobicContact CD1-CD2 3.77Å; L150-F162 HydrophobicContact CD1-CE1 4.05Å; L150-F162 HydrophobicContact CD1-CE2 3.87Å; L150-F162 HydrophobicContact CD1-CG 3.85Å; L150-F162 HydrophobicContact CD1-CZ 4.02Å; L150-F162 HydrophobicContact CD2-CD2 4.44Å; L150-F162 HydrophobicContact CD2-CE2 4.42Å; L150-F162 HydrophobicContact CG-CD2 4.28Å; L150-L193 HydrophobicContact CD2-CD1 4.49Å
151T96.1Very high97.1Very high26 Ų2638.1 Ų38.116%0.1621%0.211CC..THydrogen-bonded Turntrans-104.84.8-177.756.70000113.6H129 L147 T149 Y153 F162H129-T151 PolarHBondContact CE1-OG1 3.13Å; H129-T151 VanDerWaalsContact CE1-OG1 3.28Å; H129-T151 PolarHBondContact NE2-OG1 3.36Å; L147-T151 HydrophobicContact CD1-CG2 4.24Å; L147-T151 HydrophobicContact CG-CG2 4.34Å; L147-T151 WeakPolarHBondContact O-CB 3.35Å; L147-T151 WeakPolarHBondContact O-CG2 3.18Å; L147-T151 PolarHBondContact O-N 2.78Å; L147-T151 PolarHBondContact O-OG1 3.43Å; T149-T151 VanDerWaalsContact C-N 3.29Å; T149-T151 PolarHBondContact O-N 2.59Å; T151-Y153 VanDerWaalsContact C-N 3.33Å; T151-Y153 PolarHBondContact O-N 3.05Å; T151-F162 HydrophobicContact CG2-CB 4.18Å
152K97.2Very high97Very high101 Ų10136 Ų3644%0.43920%0.197SC..SBendtrans-57.7-41.2-175.3-172.2-179.7-179177.70113.6A148 L193 R194A148-K152 WeakPolarHBondContact O-CB 3.42Å; A148-K152 PolarHBondContact O-N 2.95Å; A148-K152 VanDerWaalsContact O-N 3.17Å; K152-L193 WeakPolarHBondContact CD-O 3.33Å; K152-L193 PolarHBondContact NZ-O 3.15Å; K152-R194 PolarHBondContact NZ-O 3.36Å; K152-R194 VanDerWaalsContact NZ-O 3.15Å
153Y97.4Very high96.7Very high45 Ų4533.3 Ų33.318%0.17618%0.183CC..SBendtrans-103.498.5174.8-60.4-86.3000107.9T151 D155 S156 A159 Y192 L193 G196 L219T151-Y153 VanDerWaalsContact C-N 3.33Å; T151-Y153 PolarHBondContact O-N 3.05Å; Y153-D155 PolarHBondContact O-N 3.43Å; Y153-S156 VanDerWaalsContact O-CB 3.23Å; Y153-S156 WeakPolarHBondContact O-CB 2.97Å; Y153-S156 PolarHBondContact O-N 2.98Å; Y153-S156 PolarHBondContact O-OG 3.5Å; Y153-A159 WeakPolarHBondContact O-CB 3.48Å; Y153-Y192 HydrophobicContact CD2-CE1 4.5Å; Y153-Y192 HydrophobicContact CE1-CE1 4.44Å; Y153-Y192 HydrophobicContact CE2-CD1 4.23Å; Y153-Y192 AromaticContact CE2-CE1 3.74Å; Y153-Y192 HydrophobicContact CE2-CE1 3.74Å; Y153-Y192 AromaticContact CZ-CE1 3.7Å; Y153-L193 HydrophobicContact CD2-CD2 3.52Å; Y153-L193 HydrophobicContact CE2-CD2 3.85Å; Y153-G196 WeakPolarHBondContact OH-CA 3.22Å; Y153-L219 HydrophobicContact CD2-CD2 4.15Å; Y153-L219 HydrophobicContact CG-CD2 4.37Å
154S96.3Very high96.3Very high96 Ų9634.7 Ų34.767%0.67121%0.208SC*.THydrogen-bonded Turntrans-62.7-23.9-168.554.50000114.4
155D96.1Very high96Very high73 Ų7337.9 Ų37.939%0.3922%0.218SC..THydrogen-bonded Turntrans-88.1-7.6177.470.9-34.4000113.8Y153 K160 K220Y153-D155 PolarHBondContact O-N 3.43Å; D155-K160 VanDerWaalsContact O-CE 3.3Å; D155-K160 WeakPolarHBondContact O-CE 3.44Å; D155-K160 PolarHBondContact O-NZ 3.44Å; D155-K220 IonicContact OD2-NZ 2.8Å; D155-K220 PolarHBondContact OD2-NZ 3.19Å
156S98.2Very high95.8Very high0 Ų040.1 Ų40.10%023%0.232CC..SBendtrans-69.2155.5178.372.50000112.6Y153 L158 A159 K160 Y217Y153-S156 VanDerWaalsContact O-CB 3.23Å; Y153-S156 WeakPolarHBondContact O-CB 2.97Å; Y153-S156 PolarHBondContact O-N 2.98Å; Y153-S156 PolarHBondContact O-OG 3.5Å; S156-L158 VanDerWaalsContact C-N 3.3Å; S156-L158 PolarHBondContact O-N 3.07Å; S156-A159 PolarHBondContact O-N 3.17Å; S156-A159 WeakPolarHBondContact OG-CB 3.47Å; S156-A159 PolarHBondContact OG-N 3.44Å; S156-A159 VanDerWaalsContact OG-N 3.12Å; S156-K160 WeakPolarHBondContact O-CG 3.35Å; S156-K160 PolarHBondContact O-N 3.04Å; S156-K160 VanDerWaalsContact O-N 3.17Å; S156-Y217 WeakPolarHBondContact CB-O 3.45Å
157H98Very high95.6Very high44 Ų4444.2 Ų44.220%0.20426%0.261CS..Hα-helixtrans-63.7-37176.1-172.2-175.5000111.7A159 K160 L161 F216 Y217 D218H157-A159 VanDerWaalsContact C-N 3.34Å; H157-A159 PolarHBondContact O-N 3.39Å; H157-K160 WeakPolarHBondContact O-CB 3.11Å; H157-K160 PolarHBondContact O-N 3.36Å; H157-L161 WeakPolarHBondContact O-CG 3.43Å; H157-L161 PolarHBondContact O-N 2.94Å; H157-F216 AromaticContact CE1-CZ 3.68Å; H157-F216 AromaticContact ND1-CE1 3.92Å; H157-F216 AromaticContact ND1-CZ 3.86Å; H157-F216 PolarHBondContact ND1-O 2.92Å; H157-Y217 PolarHBondContact N-O 3.08Å; H157-D218 HydrophobicContact CB-CB 4.39Å
158L98Very high95.5Very high0 Ų046 Ų460%027%0.272CS..Hα-helixtrans-61.5-42.3174.4-71.8169.1000111.7L150 S156 K160 L161 F162 I179 F186 V189 L193 Y217L150-L158 HydrophobicContact CD2-CD1 4.37Å; L150-L158 HydrophobicContact CD2-CD2 4.4Å; L150-L158 CarbonylContact O-C 3.51Å; S156-L158 VanDerWaalsContact C-N 3.3Å; S156-L158 PolarHBondContact O-N 3.07Å; L158-K160 VanDerWaalsContact C-N 3.29Å; L158-K160 PolarHBondContact O-N 3.23Å; L158-L161 HydrophobicContact CD2-CD1 4.47Å; L158-L161 PolarHBondContact O-N 3.01Å; L158-F162 HydrophobicContact CD2-CD2 4.43Å; L158-F162 HydrophobicContact CD2-CE2 4.09Å; L158-F162 WeakPolarHBondContact O-CB 3.35Å; L158-F162 VanDerWaalsContact O-CD2 3.29Å; L158-F162 WeakPolarHBondContact O-CD2 3.38Å; L158-F162 PolarHBondContact O-N 3.03Å; L158-I179 HydrophobicContact CD2-CD1 3.9Å; L158-F186 HydrophobicContact CD1-CE2 4.11Å; L158-F186 HydrophobicContact CD2-CE2 4.42Å; L158-V189 HydrophobicContact CD1-CG1 4.32Å; L158-L193 HydrophobicContact CD1-CD1 3.6Å; L158-Y217 HydrophobicContact CD1-CD1 3.91Å; L158-Y217 HydrophobicContact CD1-CE1 4.4Å; L158-Y217 HydrophobicContact CD1-CG 4.25Å; L158-Y217 HydrophobicContact CD2-CD1 3.87Å; L158-Y217 HydrophobicContact CD2-CE1 3.9Å; L158-Y217 HydrophobicContact CG-CD1 3.61Å; L158-Y217 HydrophobicContact CG-CE1 4.15Å; L158-Y217 HydrophobicContact CG-CG 4.33Å
159A97.1Very high95.4Very high3 Ų348.3 Ų48.33%0.02528%0.284CS..Hα-helixtrans-61.1-40.3175.600000111.5L150 Y153 S156 H157 F162 S163L150-A159 PolarHBondContact O-N 3.36Å; Y153-A159 WeakPolarHBondContact O-CB 3.48Å; S156-A159 PolarHBondContact O-N 3.17Å; S156-A159 WeakPolarHBondContact OG-CB 3.47Å; S156-A159 PolarHBondContact OG-N 3.44Å; S156-A159 VanDerWaalsContact OG-N 3.12Å; H157-A159 VanDerWaalsContact C-N 3.34Å; H157-A159 PolarHBondContact O-N 3.39Å; A159-F162 PolarHBondContact O-N 3.5Å; A159-S163 WeakPolarHBondContact O-CB 3.5Å; A159-S163 PolarHBondContact O-N 3.4Å; A159-S163 PolarHBondContact O-OG 3.29Å
160K96.6Very high95.2Very high58 Ų5848.2 Ų48.225%0.25228%0.283SS..Hα-helixtrans-62.4-44.9176.7-61.4167.9-164.9160.90112.2D155 S156 H157 L158 F162 S163 Q165 T166 D218D155-K160 VanDerWaalsContact O-CE 3.3Å; D155-K160 WeakPolarHBondContact O-CE 3.44Å; D155-K160 PolarHBondContact O-NZ 3.44Å; S156-K160 WeakPolarHBondContact O-CG 3.35Å; S156-K160 PolarHBondContact O-N 3.04Å; S156-K160 VanDerWaalsContact O-N 3.17Å; H157-K160 WeakPolarHBondContact O-CB 3.11Å; H157-K160 PolarHBondContact O-N 3.36Å; L158-K160 VanDerWaalsContact C-N 3.29Å; L158-K160 PolarHBondContact O-N 3.23Å; K160-F162 PolarHBondContact O-N 3.06Å; K160-S163 PolarHBondContact O-OG 3.46Å; K160-Q165 HydrophobicContact CB-CB 4.22Å; K160-Q165 PolarHBondContact O-N 2.77Å; K160-T166 PolarHBondContact O-N 3.11Å; K160-D218 IonicContact NZ-OD2 2.95Å; K160-D218 PolarHBondContact NZ-OD2 3.42Å
161L95.9Very high94.9Very high17 Ų1750.5 Ų50.59%0.08930%0.295CS..Hα-helixtrans-61.6-43.7177.2-69.1169.1000112.1H157 L158 T166 S167 V168 I179H157-L161 WeakPolarHBondContact O-CG 3.43Å; H157-L161 PolarHBondContact O-N 2.94Å; L158-L161 HydrophobicContact CD2-CD1 4.47Å; L158-L161 PolarHBondContact O-N 3.01Å; L161-T166 HydrophobicContact CD2-CG2 3.81Å; L161-S167 WeakPolarHBondContact CD2-O 3.48Å; L161-V168 HydrophobicContact CB-CB 4.44Å; L161-V168 HydrophobicContact CD2-CB 4.09Å; L161-I179 HydrophobicContact CD1-CD1 4.16Å
162F94.7Very high94.5Very high8 Ų856.6 Ų56.64%0.03532%0.317CS..Hα-helixtrans-980.4-171.8-71.3-74.4000114.6L73 V134 L136 L147 L150 T151 L158 A159 K160 Y177 I179L73-F162 WeakPolarHBondContact CD1-O 3.34Å; V134-F162 HydrophobicContact CG1-CD1 4.39Å; V134-F162 HydrophobicContact CG1-CE1 3.93Å; L136-F162 HydrophobicContact CD2-CE1 3.98Å; L136-F162 HydrophobicContact CD2-CE2 4.13Å; L136-F162 HydrophobicContact CD2-CZ 3.35Å; L147-F162 HydrophobicContact CD1-CB 3.71Å; L147-F162 HydrophobicContact CD1-CD1 4.3Å; L147-F162 HydrophobicContact CD1-CG 4.36Å; L150-F162 HydrophobicContact CB-CB 4.26Å; L150-F162 HydrophobicContact CB-CD2 3.99Å; L150-F162 HydrophobicContact CB-CG 4.18Å; L150-F162 HydrophobicContact CD1-CD1 3.97Å; L150-F162 HydrophobicContact CD1-CD2 3.77Å; L150-F162 HydrophobicContact CD1-CE1 4.05Å; L150-F162 HydrophobicContact CD1-CE2 3.87Å; L150-F162 HydrophobicContact CD1-CG 3.85Å; L150-F162 HydrophobicContact CD1-CZ 4.02Å; L150-F162 HydrophobicContact CD2-CD2 4.44Å; L150-F162 HydrophobicContact CD2-CE2 4.42Å; L150-F162 HydrophobicContact CG-CD2 4.28Å; T151-F162 HydrophobicContact CG2-CB 4.18Å; L158-F162 HydrophobicContact CD2-CD2 4.43Å; L158-F162 HydrophobicContact CD2-CE2 4.09Å; L158-F162 WeakPolarHBondContact O-CB 3.35Å; L158-F162 VanDerWaalsContact O-CD2 3.29Å; L158-F162 WeakPolarHBondContact O-CD2 3.38Å; L158-F162 PolarHBondContact O-N 3.03Å; A159-F162 PolarHBondContact O-N 3.5Å; K160-F162 PolarHBondContact O-N 3.06Å; F162-Y177 HydrophobicContact CE1-CD1 4.37Å; F162-Y177 AromaticContact CE1-CD2 3.69Å; F162-Y177 HydrophobicContact CE1-CD2 3.69Å; F162-Y177 HydrophobicContact CE1-CE2 4.07Å; F162-Y177 AromaticContact CE1-CG 3.82Å; F162-Y177 HydrophobicContact CE1-CG 3.82Å; F162-Y177 HydrophobicContact CZ-CD2 4.36Å; F162-Y177 HydrophobicContact CZ-CG 4.22Å; F162-I179 HydrophobicContact CE2-CD1 4.37Å
163S91.5Very high94Very high41 Ų4159.4 Ų59.429%0.28734%0.336SS..THydrogen-bonded Turntrans-100-0167.261.30000113.1A159 K160 Q165A159-S163 WeakPolarHBondContact O-CB 3.5Å; A159-S163 PolarHBondContact O-N 3.4Å; A159-S163 PolarHBondContact O-OG 3.29Å; K160-S163 PolarHBondContact O-OG 3.46Å; S163-Q165 WeakPolarHBondContact OG-CG 3.34Å; S163-Q165 PolarHBondContact OG-NE2 3.42Å
164G89.9Confident93.6Very high66 Ų6663.4 Ų63.468%0.6835%0.354SS*.THydrogen-bonded Turntrans82.17.8-178.500000114.8
165Q92.2Very high93.2Very high139 Ų13961.3 Ų61.365%0.6533%0.333SS*.SBendtrans-73.5-30.5175.5-63.3176.21800112.2K160 S163K160-Q165 HydrophobicContact CB-CB 4.22Å; K160-Q165 PolarHBondContact O-N 2.77Å; S163-Q165 WeakPolarHBondContact OG-CG 3.34Å; S163-Q165 PolarHBondContact OG-NE2 3.42Å
166T92.1Very high93Very high56 Ų5658.7 Ų58.734%0.34432%0.319SS..SBendtrans-128.9141.9177.4-54.50000109.7K160 L161K160-T166 PolarHBondContact O-N 3.11Å; L161-T166 HydrophobicContact CD2-CG2 3.81Å
167S92.6Very high93Very high114 Ų11459.1 Ų59.180%0.79732%0.321SS*.  trans-68140.1175.158.20000111.9L161L161-S167 WeakPolarHBondContact CD2-O 3.48Å
168V93.7Very high92.9Very high38 Ų3859.9 Ų59.923%0.2332%0.324CS..  trans-120.5142.3172.6580000109.7L161 Y177L161-V168 HydrophobicContact CB-CB 4.44Å; L161-V168 HydrophobicContact CD2-CB 4.09Å; V168-Y177 HydrophobicContact CB-CD1 4.29Å; V168-Y177 HydrophobicContact CG1-CD1 3.41Å; V168-Y177 VanDerWaalsContact CG1-CD1 3.41Å; V168-Y177 HydrophobicContact CG1-CE1 3.68Å; V168-Y177 HydrophobicContact CG1-CG 4.36Å; V168-Y177 HydrophobicContact CG2-CD1 3.94Å; V168-Y177 HydrophobicContact CG2-CG 4.32Å
169V93.9Very high92.9Very high68 Ų6860.4 Ų60.441%0.41233%0.327SS..EExtended strand (participates in β ladder)trans-71134.81781780000109.2W10 Y177 F178W10-V169 HydrophobicContact CH2-CG1 4.06Å; V169-Y177 CarbonylContact O-C 3.55Å; V169-Y177 VanDerWaalsContact O-CA 3.3Å; V169-Y177 WeakPolarHBondContact O-CA 3.45Å; V169-F178 HydrophobicContact CB-CB 4.21Å; V169-F178 HydrophobicContact CB-CD1 4.44Å; V169-F178 HydrophobicContact CG1-CB 4.13Å; V169-F178 HydrophobicContact CG1-CD1 4.38Å; V169-F178 PolarHBondContact O-N 3.44Å
170L93.8Very high92.9Very high20 Ų2066.6 Ų66.611%0.10536%0.359CS..EExtended strand (participates in β ladder)trans-116.8120.217618064.6000109.6Y172 Y177L170-Y172 HydrophobicContact CD2-CD1 4.15Å; L170-Y172 HydrophobicContact CD2-CE1 3.95Å; L170-Y172 PolarHBondContact O-N 3.45Å; L170-Y172 VanDerWaalsContact O-N 3.12Å; L170-Y177 HydrophobicContact CB-CD1 4.38Å; L170-Y177 HydrophobicContact CB-CE1 4.49Å; L170-Y177 HydrophobicContact CD1-CD1 3.98Å; L170-Y177 HydrophobicContact CD1-CE1 3.98Å; L170-Y177 HydrophobicContact CD1-CG 4.34Å
171D91.2Very high93Very high48 Ų4867.2 Ų67.226%0.25736%0.36SS..EExtended strand (participates in β ladder)trans-71.3103.3165.3-178.7-23000108L173 K174 Q175 N176D171-L173 PolarHBondContact O-N 3.27Å; D171-L173 WeakPolarHBondContact OD1-CA 3.4Å; D171-L173 WeakPolarHBondContact OD1-CB 3.38Å; D171-L173 PolarHBondContact OD1-N 3.46Å; D171-K174 HydrophobicContact CB-CB 4.33Å; D171-K174 PolarHBondContact O-N 3.46Å; D171-K174 PolarHBondContact OD1-N 3Å; D171-K174 VanDerWaalsContact OD2-CD 3.32Å; D171-K174 WeakPolarHBondContact OD2-CD 3.48Å; D171-K174 WeakPolarHBondContact OD2-CG 3.29Å; D171-Q175 VanDerWaalsContact O-CA 3.28Å; D171-Q175 WeakPolarHBondContact O-CA 3.47Å; D171-Q175 PolarHBondContact O-N 3.49Å; D171-N176 PolarHBondContact N-O 2.98Å
172Y87.8Confident93.1Very high154 Ų15469.1 Ų69.160%0.60437%0.37SS*.THydrogen-bonded Turntrans-63.8-27.4-178.5-70.5-77.6000113.1K62 L170 Q175K62-Y172 PolarHBondContact NZ-O 3.1Å; L170-Y172 HydrophobicContact CD2-CD1 4.15Å; L170-Y172 HydrophobicContact CD2-CE1 3.95Å; L170-Y172 PolarHBondContact O-N 3.45Å; L170-Y172 VanDerWaalsContact O-N 3.12Å; Y172-Q175 PolarHBondContact O-NE2 3.15Å
173L88.3Confident93.3Very high160 Ų16069 Ų6984%0.83837%0.371SS*.THydrogen-bonded Turntrans-74.7-49.8179.5-63.9175.8000110.3D171D171-L173 PolarHBondContact O-N 3.27Å; D171-L173 WeakPolarHBondContact OD1-CA 3.4Å; D171-L173 WeakPolarHBondContact OD1-CB 3.38Å; D171-L173 PolarHBondContact OD1-N 3.46Å
174K87.7Confident93.6Very high128 Ų12871 Ų7156%0.55738%0.382SS*.THydrogen-bonded Turntrans-83.4-19.1-177.4-63.5-178-170.6168.50114.6D137 D171 N176D137-K174 IonicContact OD2-NZ 3.92Å; D171-K174 HydrophobicContact CB-CB 4.33Å; D171-K174 PolarHBondContact O-N 3.46Å; D171-K174 PolarHBondContact OD1-N 3Å; D171-K174 VanDerWaalsContact OD2-CD 3.32Å; D171-K174 WeakPolarHBondContact OD2-CD 3.48Å; D171-K174 WeakPolarHBondContact OD2-CG 3.29Å; K174-N176 VanDerWaalsContact C-N 3.26Å; K174-N176 HydrophobicContact CB-CB 4.38Å; K174-N176 PolarHBondContact O-OD1 3.41Å
175Q88Confident94Very high52 Ų5267.9 Ų67.924%0.24335%0.35CS..THydrogen-bonded Turntrans60.234.1-169-61.9-65.1-80.900113.5K62 D171 Y172K62-Q175 VanDerWaalsContact CD-NE2 3.25Å; D171-Q175 VanDerWaalsContact O-CA 3.28Å; D171-Q175 WeakPolarHBondContact O-CA 3.47Å; D171-Q175 PolarHBondContact O-N 3.49Å; Y172-Q175 PolarHBondContact O-NE2 3.15Å
176N93Very high94.3Very high19 Ų1961.3 Ų61.310%0.10232%0.319CS..EExtended strand (participates in β ladder)trans-107.2137.9174.8-67.12.1000109.9H135 D137 D171 K174H135-N176 WeakPolarHBondContact CB-OD1 3.11Å; D137-N176 HydrophobicContact CB-CB 4.18Å; D171-N176 PolarHBondContact N-O 2.98Å; K174-N176 VanDerWaalsContact C-N 3.26Å; K174-N176 HydrophobicContact CB-CB 4.38Å; K174-N176 PolarHBondContact O-OD1 3.41Å
177Y96.7Very high94.6Very high9 Ų963.9 Ų63.94%0.03532%0.322CS..EExtended strand (participates in β ladder)trans-75.3131.9166.8-64.1-79.7000109.8F65 N66 V134 H135 L136 D137 F162 V168 V169 L170F65-Y177 HydrophobicContact CD1-CE2 4.36Å; F65-Y177 VanDerWaalsContact CD1-OH 3.28Å; F65-Y177 WeakPolarHBondContact CD1-OH 3.4Å; F65-Y177 AromaticContact CE1-CE2 3.71Å; F65-Y177 HydrophobicContact CE1-CE2 3.71Å; F65-Y177 AromaticContact CE1-CZ 3.92Å; F65-Y177 VanDerWaalsContact CE1-OH 3.22Å; F65-Y177 WeakPolarHBondContact CE1-OH 3.49Å; N66-Y177 PolarHBondContact OD1-OH 3.35Å; V134-Y177 HydrophobicContact CG1-CD2 3.93Å; V134-Y177 HydrophobicContact CG1-CE2 4.05Å; H135-Y177 PolarHBondContact O-N 3.37Å; L136-Y177 CarbonylContact C-O 3.51Å; L136-Y177 WeakPolarHBondContact CA-O 3.5Å; L136-Y177 HydrophobicContact CD2-CD2 4.49Å; D137-Y177 PolarHBondContact N-O 3.02Å; F162-Y177 HydrophobicContact CE1-CD1 4.37Å; F162-Y177 AromaticContact CE1-CD2 3.69Å; F162-Y177 HydrophobicContact CE1-CD2 3.69Å; F162-Y177 HydrophobicContact CE1-CE2 4.07Å; F162-Y177 AromaticContact CE1-CG 3.82Å; F162-Y177 HydrophobicContact CE1-CG 3.82Å; F162-Y177 HydrophobicContact CZ-CD2 4.36Å; F162-Y177 HydrophobicContact CZ-CG 4.22Å; V168-Y177 HydrophobicContact CB-CD1 4.29Å; V168-Y177 HydrophobicContact CG1-CD1 3.41Å; V168-Y177 VanDerWaalsContact CG1-CD1 3.41Å; V168-Y177 HydrophobicContact CG1-CE1 3.68Å; V168-Y177 HydrophobicContact CG1-CG 4.36Å; V168-Y177 HydrophobicContact CG2-CD1 3.94Å; V168-Y177 HydrophobicContact CG2-CG 4.32Å; V169-Y177 CarbonylContact O-C 3.55Å; V169-Y177 VanDerWaalsContact O-CA 3.3Å; V169-Y177 WeakPolarHBondContact O-CA 3.45Å; L170-Y177 HydrophobicContact CB-CD1 4.38Å; L170-Y177 HydrophobicContact CB-CE1 4.49Å; L170-Y177 HydrophobicContact CD1-CD1 3.98Å; L170-Y177 HydrophobicContact CD1-CE1 3.98Å; L170-Y177 HydrophobicContact CD1-CG 4.34Å
178F96.7Very high94.9Very high60 Ų6058.7 Ų58.726%0.26329%0.285SS..EExtended strand (participates in β ladder)trans-100.6133.5-178.8176.8-108.4000111.2D137 V169 D180D137-F178 HydrophobicContact CB-CD2 4.15Å; D137-F178 CarbonylContact O-C 3.57Å; D137-F178 WeakPolarHBondContact O-CA 3.22Å; D137-F178 WeakPolarHBondContact O-CD2 3.28Å; V169-F178 HydrophobicContact CB-CB 4.21Å; V169-F178 HydrophobicContact CB-CD1 4.44Å; V169-F178 HydrophobicContact CG1-CB 4.13Å; V169-F178 HydrophobicContact CG1-CD1 4.38Å; V169-F178 PolarHBondContact O-N 3.44Å; F178-D180 HydrophobicContact CE1-CB 3.72Å; F178-D180 HydrophobicContact CZ-CB 3.76Å
179I97.6Very high95.1Very high11 Ų1156.9 Ų56.96%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-131.1121.5171.8-59178.3000107.3D137 I138 G139 L158 L161 F162 R181 F216 Y217D137-I179 PolarHBondContact O-N 2.93Å; I138-I179 WeakPolarHBondContact CA-O 3.48Å; I138-I179 HydrophobicContact CD1-CB 3.71Å; I138-I179 HydrophobicContact CD1-CD1 3.84Å; I138-I179 HydrophobicContact CD1-CG1 4.04Å; I138-I179 HydrophobicContact CD1-CG2 4.48Å; G139-I179 PolarHBondContact N-O 2.93Å; L158-I179 HydrophobicContact CD2-CD1 3.9Å; L161-I179 HydrophobicContact CD1-CD1 4.16Å; F162-I179 HydrophobicContact CE2-CD1 4.37Å; I179-R181 VanDerWaalsContact C-N 3.29Å; I179-R181 HydrophobicContact CG2-CB 4.06Å; I179-R181 HydrophobicContact CG2-CG 3.61Å; I179-R181 PolarHBondContact O-N 3.36Å; I179-F216 HydrophobicContact CG2-CE1 4.27Å; I179-Y217 HydrophobicContact CG2-CE1 4.42Å
180D97.6Very high95.4Very high132 Ų13253.7 Ų53.771%0.70626%0.255SS*.  trans-81.673.1-177.8-167.721000111.2F178F178-D180 HydrophobicContact CE1-CB 3.72Å; F178-D180 HydrophobicContact CZ-CB 3.76Å
181R98.5Very high95.6Very high71 Ų7155 Ų5527%0.26826%0.262SS..SBendtrans-141.8173.5-177-67.4-57.6-62.4-178.7-1.5111.5I138 G139 I179 G183 E213 F216 Y217I138-R181 CarbonylContact C-O 3.51Å; I138-R181 HydrophobicContact CG2-CB 4.06Å; G139-R181 VanDerWaalsContact CA-O 3.27Å; G139-R181 WeakPolarHBondContact CA-O 3.43Å; G139-R181 PolarHBondContact N-O 2.97Å; I179-R181 VanDerWaalsContact C-N 3.29Å; I179-R181 HydrophobicContact CG2-CB 4.06Å; I179-R181 HydrophobicContact CG2-CG 3.61Å; I179-R181 PolarHBondContact O-N 3.36Å; R181-G183 PolarHBondContact O-N 2.65Å; R181-G183 VanDerWaalsContact O-N 3.12Å; R181-E213 IonicContact CZ-OE1 3.74Å; R181-E213 IonicContact CZ-OE2 2.69Å; R181-E213 IonicContact NE-OE1 3.34Å; R181-E213 PolarHBondContact NE-OE1 2.88Å; R181-E213 IonicContact NE-OE2 3.03Å; R181-E213 PolarHBondContact NE-OE2 2.76Å; R181-E213 IonicContact NH2-OE1 3.57Å; R181-E213 PolarHBondContact NH2-OE1 3.4Å; R181-E213 IonicContact NH2-OE2 2.73Å; R181-F216 HydrophobicContact CG-CD1 3.74Å; R181-F216 HydrophobicContact CG-CE1 3.43Å; R181-F216 VanDerWaalsContact CG-CE1 3.43Å; R181-F216 HydrophobicContact CG-CE2 4.38Å; R181-F216 HydrophobicContact CG-CG 4.36Å; R181-F216 HydrophobicContact CG-CZ 3.78Å; R181-Y217 VanDerWaalsContact CB-OH 3.29Å; R181-Y217 WeakPolarHBondContact CB-OH 3.39Å
182D98.4Very high96Very high58 Ų5853 Ų5331%0.3125%0.251SS..  trans-67.9109.4178.9-171.2-42000111.3T184 M185 F186D182-T184 VanDerWaalsContact C-N 3.32Å; D182-T184 PolarHBondContact O-N 3.22Å; D182-T184 WeakPolarHBondContact OD1-CA 3.39Å; D182-T184 VanDerWaalsContact OD1-CB 3.29Å; D182-T184 WeakPolarHBondContact OD1-CB 3.46Å; D182-T184 PolarHBondContact OD1-N 3.23Å; D182-M185 HydrophobicContact CB-CB 4.16Å; D182-M185 HydrophobicContact CB-CG 4.34Å; D182-M185 PolarHBondContact OD1-N 3.47Å; D182-F186 WeakPolarHBondContact O-CB 3.02Å; D182-F186 PolarHBondContact O-N 3.17Å; D182-F186 VanDerWaalsContact O-N 3.1Å
183G98.3Very high96.5Very high5 Ų545.7 Ų45.75%0.05222%0.222CC..Hα-helixtrans-64.7-30.717800000114.2I138 Y143 R181I138-G183 VanDerWaalsContact O-CA 3.26Å; I138-G183 WeakPolarHBondContact O-CA 3.33Å; Y143-G183 VanDerWaalsContact CE2-O 3.24Å; Y143-G183 WeakPolarHBondContact CE2-O 3.42Å; Y143-G183 VanDerWaalsContact CZ-O 3.25Å; Y143-G183 PolarHBondContact OH-O 3.03Å; R181-G183 PolarHBondContact O-N 2.65Å; R181-G183 VanDerWaalsContact O-N 3.12Å
184T97.9Very high97Very high83 Ų8343.4 Ų43.451%0.50920%0.203SC..Hα-helixtrans-72.3-46.6-179.8-53.60000110.7D182 F186 R187D182-T184 VanDerWaalsContact C-N 3.32Å; D182-T184 PolarHBondContact O-N 3.22Å; D182-T184 WeakPolarHBondContact OD1-CA 3.39Å; D182-T184 VanDerWaalsContact OD1-CB 3.29Å; D182-T184 WeakPolarHBondContact OD1-CB 3.46Å; D182-T184 PolarHBondContact OD1-N 3.23Å; T184-F186 VanDerWaalsContact C-N 3.31Å; T184-F186 PolarHBondContact O-N 3.4Å; T184-R187 WeakPolarHBondContact O-CB 3.38Å; T184-R187 PolarHBondContact O-N 3.21Å
185M98.4Very high97.4Very high1 Ų140.5 Ų40.51%0.00520%0.196CC..Hα-helixtrans-67.4-32.4177.9-70.8-58.7103.500112.3D182 R187 H188 V189 F204 E206 L209 L210 E213D182-M185 HydrophobicContact CB-CB 4.16Å; D182-M185 HydrophobicContact CB-CG 4.34Å; D182-M185 PolarHBondContact OD1-N 3.47Å; M185-R187 PolarHBondContact O-N 3.07Å; M185-R187 VanDerWaalsContact O-N 3.09Å; M185-H188 WeakPolarHBondContact O-CB 3.49Å; M185-H188 PolarHBondContact O-N 2.95Å; M185-V189 PolarHBondContact O-N 2.73Å; M185-F204 HydrophobicContact CE-CE2 4.42Å; M185-F204 HydrophobicContact CE-CZ 4.34Å; M185-F204 HydrophobicContact SD-CZ 4.13Å; M185-E206 HydrophobicContact CE-CB 4.02Å; M185-E206 WeakPolarHBondContact CE-OE2 3.48Å; M185-E206 HydrophobicContact SD-CB 4.22Å; M185-L209 HydrophobicContact CG-CB 3.92Å; M185-L209 HydrophobicContact SD-CB 3.88Å; M185-L210 HydrophobicContact SD-CB 4.07Å; M185-E213 HydrophobicContact CB-CB 4.38Å; M185-E213 HydrophobicContact CB-CG 3.46Å; M185-E213 VanDerWaalsContact CB-CG 3.46Å; M185-E213 HydrophobicContact CG-CG 4.23Å
186F98.7Very high97.9Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-56.9-27.7178.2-171.2-102.7000113.7L136 I138 Y143 L158 D182 T184 H188 V189 L190 Y217L136-F186 HydrophobicContact CD1-CE1 3.92Å; L136-F186 HydrophobicContact CD1-CZ 3.89Å; I138-F186 HydrophobicContact CB-CB 4.45Å; I138-F186 HydrophobicContact CB-CG 4.42Å; I138-F186 HydrophobicContact CD1-CD1 4.39Å; I138-F186 HydrophobicContact CD1-CD2 4.47Å; I138-F186 HydrophobicContact CD1-CE1 4.22Å; I138-F186 HydrophobicContact CD1-CE2 4.32Å; I138-F186 HydrophobicContact CD1-CG 4.49Å; I138-F186 HydrophobicContact CD1-CZ 4.18Å; I138-F186 HydrophobicContact CG1-CB 4.47Å; I138-F186 HydrophobicContact CG1-CD1 3.71Å; I138-F186 HydrophobicContact CG1-CD2 4.38Å; I138-F186 HydrophobicContact CG1-CE1 3.93Å; I138-F186 HydrophobicContact CG1-CG 3.93Å; I138-F186 HydrophobicContact CG1-CZ 4.36Å; I138-F186 HydrophobicContact CG2-CB 3.91Å; I138-F186 HydrophobicContact CG2-CD2 4.34Å; I138-F186 HydrophobicContact CG2-CG 4.07Å; Y143-F186 HydrophobicContact CD1-CD1 4.25Å; Y143-F186 AromaticContact CD2-CD1 3.57Å; Y143-F186 HydrophobicContact CD2-CD1 3.57Å; Y143-F186 HydrophobicContact CD2-CE1 4.13Å; Y143-F186 HydrophobicContact CE1-CD1 4.38Å; Y143-F186 HydrophobicContact CE2-CB 4.17Å; Y143-F186 AromaticContact CE2-CD1 3.71Å; Y143-F186 HydrophobicContact CE2-CD1 3.71Å; Y143-F186 HydrophobicContact CE2-CG 4.39Å; Y143-F186 AromaticContact CG-CD1 3.85Å; Y143-F186 HydrophobicContact CG-CD1 3.85Å; Y143-F186 HydrophobicContact CG-CE1 4.08Å; L158-F186 HydrophobicContact CD1-CE2 4.11Å; L158-F186 HydrophobicContact CD2-CE2 4.42Å; D182-F186 WeakPolarHBondContact O-CB 3.02Å; D182-F186 PolarHBondContact O-N 3.17Å; D182-F186 VanDerWaalsContact O-N 3.1Å; T184-F186 VanDerWaalsContact C-N 3.31Å; T184-F186 PolarHBondContact O-N 3.4Å; F186-H188 PolarHBondContact O-N 3.28Å; F186-V189 HydrophobicContact CD2-CB 4.24Å; F186-V189 HydrophobicContact CD2-CG1 4.22Å; F186-V189 HydrophobicContact CE2-CG1 4.18Å; F186-V189 WeakPolarHBondContact O-CB 3.37Å; F186-V189 PolarHBondContact O-N 3.18Å; F186-L190 HydrophobicContact CD1-CB 4.26Å; F186-L190 HydrophobicContact CE1-CB 4.04Å; F186-L190 HydrophobicContact CE1-CD1 4.49Å; F186-L190 HydrophobicContact CE1-CD2 4.16Å; F186-L190 HydrophobicContact CE1-CG 4.47Å; F186-L190 WeakPolarHBondContact O-CB 3.49Å; F186-L190 PolarHBondContact O-N 3.36Å; F186-Y217 HydrophobicContact CD2-CE1 4.33Å; F186-Y217 AromaticContact CD2-CE2 3.79Å; F186-Y217 HydrophobicContact CD2-CE2 3.79Å; F186-Y217 AromaticContact CD2-CZ 3.58Å; F186-Y217 WeakPolarHBondContact CD2-OH 3.45Å; F186-Y217 HydrophobicContact CE2-CE1 4.11Å; F186-Y217 HydrophobicContact CE2-CE2 4.25Å; F186-Y217 AromaticContact CE2-CZ 3.82Å
187R98.4Very high98.1Very high110 Ų11044 Ų4442%0.41522%0.219SC..Hα-helixtrans-52.3-43173.2-176.7179.162.3108.9-7.1112.1Y143 T184 M185 N191Y143-R187 HydrophobicContact CE1-CB 4.3Å; Y143-R187 WeakPolarHBondContact OH-CB 3.29Å; Y143-R187 PolarHBondContact OH-N 3.22Å; T184-R187 WeakPolarHBondContact O-CB 3.38Å; T184-R187 PolarHBondContact O-N 3.21Å; M185-R187 PolarHBondContact O-N 3.07Å; M185-R187 VanDerWaalsContact O-N 3.09Å; R187-N191 WeakPolarHBondContact O-CB 3.49Å; R187-N191 VanDerWaalsContact O-CG 3.26Å; R187-N191 PolarHBondContact O-N 3.02Å; R187-N191 PolarHBondContact O-ND2 2.56Å
188H98.6Very high98.2Very high6 Ų645.4 Ų45.43%0.02823%0.227CC..Hα-helixtrans-73.8-41.3-178.3-63.1-69.8000111.6M185 F186 N191 Y192 L200 F204 L210M185-H188 WeakPolarHBondContact O-CB 3.49Å; M185-H188 PolarHBondContact O-N 2.95Å; F186-H188 PolarHBondContact O-N 3.28Å; H188-N191 PolarHBondContact O-N 3.02Å; H188-Y192 WeakPolarHBondContact O-CB 3.35Å; H188-Y192 PolarHBondContact O-N 2.76Å; H188-L200 HydrophobicContact CB-CD2 4.18Å; H188-L200 WeakPolarHBondContact ND1-CD2 3.4Å; H188-F204 AromaticContact CD2-CE2 3.96Å; H188-F204 AromaticContact CE1-CE2 3.81Å; H188-F204 AromaticContact NE2-CE2 3.33Å; H188-F204 VanDerWaalsContact NE2-CE2 3.33Å; H188-F204 WeakPolarHBondContact NE2-CE2 3.38Å; H188-F204 AromaticContact NE2-CZ 3.97Å; H188-L210 HydrophobicContact CB-CD1 3.52Å; H188-L210 HydrophobicContact CB-CD2 4.19Å
189V98.8Very high98.2Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-56.1-50.9171.5171.60000110.3L158 M185 F186 N191 Y192 L193 L210 E213 Y217 L219 M222L158-V189 HydrophobicContact CD1-CG1 4.32Å; M185-V189 PolarHBondContact O-N 2.73Å; F186-V189 HydrophobicContact CD2-CB 4.24Å; F186-V189 HydrophobicContact CD2-CG1 4.22Å; F186-V189 HydrophobicContact CE2-CG1 4.18Å; F186-V189 WeakPolarHBondContact O-CB 3.37Å; F186-V189 PolarHBondContact O-N 3.18Å; V189-N191 VanDerWaalsContact C-N 3.34Å; V189-N191 PolarHBondContact O-N 3.44Å; V189-Y192 WeakPolarHBondContact O-CB 3.28Å; V189-Y192 PolarHBondContact O-N 3.32Å; V189-Y192 VanDerWaalsContact O-N 3.17Å; V189-L193 WeakPolarHBondContact O-CG 3.3Å; V189-L193 PolarHBondContact O-N 2.92Å; V189-L210 HydrophobicContact CG2-CD1 4.44Å; V189-E213 HydrophobicContact CG2-CB 3.99Å; V189-Y217 HydrophobicContact CB-CD2 4.36Å; V189-Y217 HydrophobicContact CG1-CD2 3.75Å; V189-Y217 HydrophobicContact CG1-CE2 4.23Å; V189-Y217 HydrophobicContact CG1-CG 4.24Å; V189-Y217 HydrophobicContact CG2-CD2 3.87Å; V189-Y217 HydrophobicContact CG2-CE2 4.13Å; V189-L219 HydrophobicContact CG1-CD1 3.69Å; V189-M222 HydrophobicContact CG2-CE 4.21Å; V189-M222 HydrophobicContact CG2-SD 4.47Å
190L98.8Very high98.1Very high1 Ų147.6 Ų47.61%0.00524%0.241CC..Hα-helixtrans-63.3-39.5-179-176.758.9000112.5Y143 T145 T149 F186 L193 R194Y143-L190 HydrophobicContact CD1-CD2 3.67Å; Y143-L190 HydrophobicContact CE1-CD2 4.4Å; Y143-L190 HydrophobicContact CG-CD2 4.26Å; T145-L190 HydrophobicContact CG2-CD1 4.12Å; T149-L190 HydrophobicContact CG2-CD1 3.95Å; F186-L190 HydrophobicContact CD1-CB 4.26Å; F186-L190 HydrophobicContact CE1-CB 4.04Å; F186-L190 HydrophobicContact CE1-CD1 4.49Å; F186-L190 HydrophobicContact CE1-CD2 4.16Å; F186-L190 HydrophobicContact CE1-CG 4.47Å; F186-L190 WeakPolarHBondContact O-CB 3.49Å; F186-L190 PolarHBondContact O-N 3.36Å; L190-L193 HydrophobicContact CD1-CD1 4.49Å; L190-L193 WeakPolarHBondContact O-CB 3.23Å; L190-L193 PolarHBondContact O-N 3.34Å; L190-R194 WeakPolarHBondContact O-CG 3.4Å; L190-R194 PolarHBondContact O-N 2.94Å; L190-R194 VanDerWaalsContact O-N 3.07Å
191N98.6Very high98Very high46 Ų4644 Ų4425%0.24623%0.225CC..Hα-helixtrans-66.3-39.8175-75.1-18.4000111.9R187 H188 V189 L193 R194 T195R187-N191 WeakPolarHBondContact O-CB 3.49Å; R187-N191 VanDerWaalsContact O-CG 3.26Å; R187-N191 PolarHBondContact O-N 3.02Å; R187-N191 PolarHBondContact O-ND2 2.56Å; H188-N191 PolarHBondContact O-N 3.02Å; V189-N191 VanDerWaalsContact C-N 3.34Å; V189-N191 PolarHBondContact O-N 3.44Å; N191-L193 VanDerWaalsContact C-N 3.31Å; N191-L193 PolarHBondContact O-N 3.25Å; N191-R194 PolarHBondContact O-N 3.11Å; N191-R194 VanDerWaalsContact O-N 3.17Å; N191-R194 PolarHBondContact OD1-NH1 3.43Å; N191-T195 PolarHBondContact O-N 3.06Å; N191-T195 PolarHBondContact O-OG1 2.81Å; N191-T195 VanDerWaalsContact O-OG1 3.05Å
192Y98.7Very high97.7Very high7 Ų748.6 Ų48.63%0.02725%0.254CS..Hα-helixtrans-59.7-41.2172.5175.8-96.5000111.8Y153 H188 V189 R194 G196 L219 D221 M222 L225Y153-Y192 HydrophobicContact CD2-CE1 4.5Å; Y153-Y192 HydrophobicContact CE1-CE1 4.44Å; Y153-Y192 HydrophobicContact CE2-CD1 4.23Å; Y153-Y192 AromaticContact CE2-CE1 3.74Å; Y153-Y192 HydrophobicContact CE2-CE1 3.74Å; Y153-Y192 AromaticContact CZ-CE1 3.7Å; H188-Y192 WeakPolarHBondContact O-CB 3.35Å; H188-Y192 PolarHBondContact O-N 2.76Å; V189-Y192 WeakPolarHBondContact O-CB 3.28Å; V189-Y192 PolarHBondContact O-N 3.32Å; V189-Y192 VanDerWaalsContact O-N 3.17Å; Y192-R194 VanDerWaalsContact C-N 3.33Å; Y192-R194 PolarHBondContact O-N 3.22Å; Y192-G196 WeakPolarHBondContact O-CA 3.16Å; Y192-G196 PolarHBondContact O-N 3.32Å; Y192-L219 HydrophobicContact CD1-CD1 4.19Å; Y192-L219 HydrophobicContact CE1-CD2 4.47Å; Y192-D221 WeakPolarHBondContact OH-CB 3.25Å; Y192-M222 HydrophobicContact CD1-CB 3.9Å; Y192-M222 HydrophobicContact CD1-CG 4.12Å; Y192-M222 HydrophobicContact CD1-SD 3.79Å; Y192-M222 HydrophobicContact CD2-CB 4.2Å; Y192-M222 HydrophobicContact CD2-CG 4.05Å; Y192-M222 HydrophobicContact CD2-SD 4.4Å; Y192-M222 HydrophobicContact CE1-CB 3.7Å; Y192-M222 HydrophobicContact CE1-CG 4.39Å; Y192-M222 HydrophobicContact CE2-CB 4.03Å; Y192-M222 HydrophobicContact CE2-CG 4.35Å; Y192-M222 HydrophobicContact CG-CB 4.14Å; Y192-M222 HydrophobicContact CG-CG 3.93Å; Y192-M222 HydrophobicContact CG-SD 3.7Å; Y192-M222 PolarHBondContact OH-N 2.99Å; Y192-L225 HydrophobicContact CD2-CD1 4.36Å; Y192-L225 HydrophobicContact CE2-CD1 3.68Å
193L98.5Very high97.4Very high0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-60.2-43.3174.1-64.1175.5000111.9T149 L150 K152 Y153 L158 V189 L190 N191 L219T149-L193 HydrophobicContact CG2-CB 3.65Å; L150-L193 HydrophobicContact CD2-CD1 4.49Å; K152-L193 WeakPolarHBondContact CD-O 3.33Å; K152-L193 PolarHBondContact NZ-O 3.15Å; Y153-L193 HydrophobicContact CD2-CD2 3.52Å; Y153-L193 HydrophobicContact CE2-CD2 3.85Å; L158-L193 HydrophobicContact CD1-CD1 3.6Å; V189-L193 WeakPolarHBondContact O-CG 3.3Å; V189-L193 PolarHBondContact O-N 2.92Å; L190-L193 HydrophobicContact CD1-CD1 4.49Å; L190-L193 WeakPolarHBondContact O-CB 3.23Å; L190-L193 PolarHBondContact O-N 3.34Å; N191-L193 VanDerWaalsContact C-N 3.31Å; N191-L193 PolarHBondContact O-N 3.25Å; L193-L219 HydrophobicContact CD2-CD1 4.31Å; L193-L219 HydrophobicContact CD2-CD2 3.92Å
194R98.3Very high97.3Very high113 Ų11352.4 Ų52.443%0.42627%0.273SS..Hα-helixtrans-65.2-52.6179.7-69.8171.6178.3148.3-4.5112T144 T149 K152 L190 N191 Y192T144-R194 PolarHBondContact O-NH2 3.04Å; T149-R194 HydrophobicContact CG2-CG 3.79Å; K152-R194 PolarHBondContact NZ-O 3.36Å; K152-R194 VanDerWaalsContact NZ-O 3.15Å; L190-R194 WeakPolarHBondContact O-CG 3.4Å; L190-R194 PolarHBondContact O-N 2.94Å; L190-R194 VanDerWaalsContact O-N 3.07Å; N191-R194 PolarHBondContact O-N 3.11Å; N191-R194 VanDerWaalsContact O-N 3.17Å; N191-R194 PolarHBondContact OD1-NH1 3.43Å; Y192-R194 VanDerWaalsContact C-N 3.33Å; Y192-R194 PolarHBondContact O-N 3.22Å
195T97.9Very high97.1Very high67 Ų6756.4 Ų56.441%0.41129%0.286SS..Hα-helixtrans-98.6-21.6-167.4650000114.3N191 Q197 L199N191-T195 PolarHBondContact O-N 3.06Å; N191-T195 PolarHBondContact O-OG1 2.81Å; N191-T195 VanDerWaalsContact O-OG1 3.05Å; T195-Q197 PolarHBondContact O-N 2.7Å; T195-Q197 PolarHBondContact OG1-N 2.73Å; T195-Q197 VanDerWaalsContact OG1-N 3.08Å; T195-Q197 PolarHBondContact OG1-O 3.42Å; T195-L199 HydrophobicContact CG2-CD1 4.23Å
196G97.6Very high97.1Very high28 Ų2860.8 Ų60.829%0.28931%0.306SS..SBendtrans72.210.5-167.400000114Y153 Y192Y153-G196 WeakPolarHBondContact OH-CA 3.22Å; Y192-G196 WeakPolarHBondContact O-CA 3.16Å; Y192-G196 PolarHBondContact O-N 3.32Å
197Q97.9Very high96.9Very high116 Ų11661.8 Ų61.854%0.54231%0.312SS..SBendtrans-120.3142.1-175-61.6179.8-6.700111.3T195 L199T195-Q197 PolarHBondContact O-N 2.7Å; T195-Q197 PolarHBondContact OG1-N 2.73Å; T195-Q197 VanDerWaalsContact OG1-N 3.08Å; T195-Q197 PolarHBondContact OG1-O 3.42Å; Q197-L199 HydrophobicContact CB-CD2 4.06Å; Q197-L199 HydrophobicContact CB-CG 4.05Å; Q197-L199 PolarHBondContact O-N 3.46Å
198L97.7Very high96.9Very high39 Ų3961.8 Ų61.820%0.20432%0.32CS..  trans-82.890.4173.2-174.866.2000109.6L200 L210 M222 L225 I226L198-L200 HydrophobicContact CD1-CD1 3.85Å; L198-L200 HydrophobicContact CD1-CD2 4.38Å; L198-L200 HydrophobicContact CD1-CG 4.06Å; L198-L200 HydrophobicContact CD2-CD1 4.02Å; L198-L200 HydrophobicContact CG-CD1 3.8Å; L198-L200 HydrophobicContact CG-CG 4.03Å; L198-L210 HydrophobicContact CD1-CD2 4.12Å; L198-M222 HydrophobicContact CD1-CE 3.94Å; L198-M222 HydrophobicContact CD1-CG 4.31Å; L198-L225 HydrophobicContact CB-CB 3.99Å; L198-L225 HydrophobicContact CB-CD1 3.93Å; L198-L225 HydrophobicContact CD2-CB 3.76Å; L198-L225 HydrophobicContact CG-CB 4.48Å; L198-I226 HydrophobicContact CD1-CG1 4.07Å; L198-I226 HydrophobicContact CD2-CB 4.45Å; L198-I226 HydrophobicContact CD2-CG1 3.78Å
199L96.4Very high96.9Very high92 Ų9265.3 Ų65.348%0.48234%0.339SS..  trans-98.1104.1-178.6-58.8177000110.3T195 Q197T195-L199 HydrophobicContact CG2-CD1 4.23Å; Q197-L199 HydrophobicContact CB-CD2 4.06Å; Q197-L199 HydrophobicContact CB-CG 4.05Å; Q197-L199 PolarHBondContact O-N 3.46Å
200L96.8Very high96.8Very high24 Ų2465.3 Ų65.313%0.12634%0.339CS..  trans-128.3144-178.1-58.9176.6000109.6H188 L198 F204 L210H188-L200 HydrophobicContact CB-CD2 4.18Å; H188-L200 WeakPolarHBondContact ND1-CD2 3.4Å; L198-L200 HydrophobicContact CD1-CD1 3.85Å; L198-L200 HydrophobicContact CD1-CD2 4.38Å; L198-L200 HydrophobicContact CD1-CG 4.06Å; L198-L200 HydrophobicContact CD2-CD1 4.02Å; L198-L200 HydrophobicContact CG-CD1 3.8Å; L198-L200 HydrophobicContact CG-CG 4.03Å; L200-F204 HydrophobicContact CB-CB 4.18Å; L200-F204 HydrophobicContact CB-CD1 4.35Å; L200-F204 HydrophobicContact CB-CG 4.18Å; L200-F204 HydrophobicContact CD1-CD1 3.91Å; L200-F204 HydrophobicContact CD1-CE1 4.1Å; L200-F204 HydrophobicContact CD2-CD1 4.26Å; L200-F204 HydrophobicContact CD2-CD2 4.47Å; L200-F204 HydrophobicContact CD2-CE1 4.15Å; L200-F204 HydrophobicContact CD2-CE2 4.4Å; L200-F204 HydrophobicContact CD2-CG 4.41Å; L200-F204 HydrophobicContact CD2-CZ 4.23Å; L200-F204 HydrophobicContact CG-CD1 4.4Å; L200-L210 HydrophobicContact CD1-CD2 3.7Å; L200-L210 HydrophobicContact CD2-CD2 3.56Å; L200-L210 HydrophobicContact CG-CD2 4.26Å
201P95.3Very high96.8Very high57 Ų5767 Ų6737%0.3735%0.347SS..  trans-53.3149.8169.3-24.933.7000112D203 F204 R229P201-D203 VanDerWaalsContact CB-OD1 3.25Å; P201-D203 WeakPolarHBondContact CB-OD1 3.49Å; P201-D203 PolarHBondContact O-N 2.92Å; P201-F204 HydrophobicContact CB-CB 4.33Å; P201-F204 WeakPolarHBondContact O-CB 3.36Å; P201-F204 PolarHBondContact O-N 3.33Å; P201-F204 VanDerWaalsContact O-N 3.1Å; P201-R229 PolarHBondContact O-NH2 3.38Å
202D91Very high96.8Very high167 Ų16770 Ų7089%0.89336%0.359SS*.THydrogen-bonded Turntrans-59.9-35.2-180-67.9-28000111.9
203D92.9Very high96.8Very high122 Ų12270.1 Ų70.165%0.65236%0.36SS*.THydrogen-bonded Turntrans-90.812.917967-28.5000114.1P201 Q205P201-D203 VanDerWaalsContact CB-OD1 3.25Å; P201-D203 WeakPolarHBondContact CB-OD1 3.49Å; P201-D203 PolarHBondContact O-N 2.92Å; D203-Q205 WeakPolarHBondContact O-CG 3.34Å; D203-Q205 PolarHBondContact O-N 3.45Å; D203-Q205 VanDerWaalsContact O-N 3.09Å; D203-Q205 PolarHBondContact O-NE2 3.31Å
204F96Very high96.8Very high22 Ų2270.1 Ų70.110%0.09636%0.36CS..  trans-63.8110.5-176.8-175.2-98.7000112.8M185 H188 L200 P201 E206 L210M185-F204 HydrophobicContact CE-CE2 4.42Å; M185-F204 HydrophobicContact CE-CZ 4.34Å; M185-F204 HydrophobicContact SD-CZ 4.13Å; H188-F204 AromaticContact CD2-CE2 3.96Å; H188-F204 AromaticContact CE1-CE2 3.81Å; H188-F204 AromaticContact NE2-CE2 3.33Å; H188-F204 VanDerWaalsContact NE2-CE2 3.33Å; H188-F204 WeakPolarHBondContact NE2-CE2 3.38Å; H188-F204 AromaticContact NE2-CZ 3.97Å; L200-F204 HydrophobicContact CB-CB 4.18Å; L200-F204 HydrophobicContact CB-CD1 4.35Å; L200-F204 HydrophobicContact CB-CG 4.18Å; L200-F204 HydrophobicContact CD1-CD1 3.91Å; L200-F204 HydrophobicContact CD1-CE1 4.1Å; L200-F204 HydrophobicContact CD2-CD1 4.26Å; L200-F204 HydrophobicContact CD2-CD2 4.47Å; L200-F204 HydrophobicContact CD2-CE1 4.15Å; L200-F204 HydrophobicContact CD2-CE2 4.4Å; L200-F204 HydrophobicContact CD2-CG 4.41Å; L200-F204 HydrophobicContact CD2-CZ 4.23Å; L200-F204 HydrophobicContact CG-CD1 4.4Å; P201-F204 HydrophobicContact CB-CB 4.33Å; P201-F204 WeakPolarHBondContact O-CB 3.36Å; P201-F204 PolarHBondContact O-N 3.33Å; P201-F204 VanDerWaalsContact O-N 3.1Å; F204-E206 VanDerWaalsContact CE1-C 3.47Å; F204-E206 HydrophobicContact CE1-CB 4.3Å; F204-E206 HydrophobicContact CE2-CB 4.23Å; F204-E206 HydrophobicContact CZ-CB 3.87Å; F204-L210 HydrophobicContact CE1-CB 4.16Å; F204-L210 HydrophobicContact CE1-CD2 3.97Å; F204-L210 HydrophobicContact CZ-CB 4.19Å; F204-L210 HydrophobicContact CZ-CD2 4.16Å
205Q94.6Very high96.8Very high167 Ų16770.1 Ų70.178%0.7837%0.365SS*.  trans-93.6-18.8-176.3-58.3-53.5-51.600114.3D203 T207D203-Q205 WeakPolarHBondContact O-CG 3.34Å; D203-Q205 PolarHBondContact O-N 3.45Å; D203-Q205 VanDerWaalsContact O-N 3.09Å; D203-Q205 PolarHBondContact O-NE2 3.31Å; Q205-T207 PolarHBondContact O-N 2.94Å
206E96.7Very high96.9Very high92 Ų9270 Ų7043%0.4336%0.359SS..  trans-86.836.2-170.9-63.4179.2130.600113M185 F204 D208 L209 L210M185-E206 HydrophobicContact CE-CB 4.02Å; M185-E206 WeakPolarHBondContact CE-OE2 3.48Å; M185-E206 HydrophobicContact SD-CB 4.22Å; F204-E206 VanDerWaalsContact CE1-C 3.47Å; F204-E206 HydrophobicContact CE1-CB 4.3Å; F204-E206 HydrophobicContact CE2-CB 4.23Å; F204-E206 HydrophobicContact CZ-CB 3.87Å; E206-D208 VanDerWaalsContact C-N 3.28Å; E206-D208 PolarHBondContact O-N 2.94Å; E206-L209 HydrophobicContact CB-CB 4.36Å; E206-L209 HydrophobicContact CB-CD1 4.13Å; E206-L209 HydrophobicContact CG-CD1 4.15Å; E206-L209 PolarHBondContact O-N 2.94Å; E206-L210 PolarHBondContact O-N 2.81Å
207T96.4Very high96.9Very high22 Ų2268.7 Ų68.714%0.13535%0.345CS..Hα-helixtrans-62.7-35.7-174.7-57.20000112.1Q205 L210 E211 I226Q205-T207 PolarHBondContact O-N 2.94Å; T207-L210 PolarHBondContact O-N 3.34Å; T207-E211 PolarHBondContact O-N 3.28Å; T207-I226 HydrophobicContact CG2-CG2 3.68Å
208D97.2Very high96.9Very high109 Ų10966.1 Ų66.158%0.58334%0.335SS*.Hα-helixtrans-69.8-39.5178.4-63.7-14.3000112E206 E211 Q212 R230E206-D208 VanDerWaalsContact C-N 3.28Å; E206-D208 PolarHBondContact O-N 2.94Å; D208-E211 PolarHBondContact O-N 3.12Å; D208-Q212 WeakPolarHBondContact O-CG 3.47Å; D208-Q212 PolarHBondContact O-N 3.48Å; D208-Q212 VanDerWaalsContact O-N 3.14Å; D208-R230 IonicContact OD1-CZ 3.49Å; D208-R230 IonicContact OD1-NE 3.35Å; D208-R230 IonicContact OD1-NH2 3.61Å; D208-R230 PolarHBondContact OD1-NH2 3.37Å
209L98.2Very high97Very high81 Ų8164.4 Ų64.442%0.42433%0.326SS..Hα-helixtrans-63.8-42.8174.3-64179000110.9M185 E206 E211 Q212 E213M185-L209 HydrophobicContact CG-CB 3.92Å; M185-L209 HydrophobicContact SD-CB 3.88Å; E206-L209 HydrophobicContact CB-CB 4.36Å; E206-L209 HydrophobicContact CB-CD1 4.13Å; E206-L209 HydrophobicContact CG-CD1 4.15Å; E206-L209 PolarHBondContact O-N 2.94Å; L209-E211 VanDerWaalsContact C-N 3.33Å; L209-E211 PolarHBondContact O-N 3.43Å; L209-Q212 WeakPolarHBondContact O-CB 3.1Å; L209-Q212 PolarHBondContact O-N 3.22Å; L209-E213 PolarHBondContact O-N 3.24Å
210L98.4Very high97Very high0 Ų066 Ų660%033%0.33CS..Hα-helixtrans-64.6-37.2176.5-175.960.1000112.6M185 H188 V189 L198 L200 F204 E206 T207 Q212 E213 A214 M222 I226M185-L210 HydrophobicContact SD-CB 4.07Å; H188-L210 HydrophobicContact CB-CD1 3.52Å; H188-L210 HydrophobicContact CB-CD2 4.19Å; V189-L210 HydrophobicContact CG2-CD1 4.44Å; L198-L210 HydrophobicContact CD1-CD2 4.12Å; L200-L210 HydrophobicContact CD1-CD2 3.7Å; L200-L210 HydrophobicContact CD2-CD2 3.56Å; L200-L210 HydrophobicContact CG-CD2 4.26Å; F204-L210 HydrophobicContact CE1-CB 4.16Å; F204-L210 HydrophobicContact CE1-CD2 3.97Å; F204-L210 HydrophobicContact CZ-CB 4.19Å; F204-L210 HydrophobicContact CZ-CD2 4.16Å; E206-L210 PolarHBondContact O-N 2.81Å; T207-L210 PolarHBondContact O-N 3.34Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-E213 PolarHBondContact O-N 3.15Å; L210-A214 WeakPolarHBondContact O-CB 3.26Å; L210-A214 PolarHBondContact O-N 2.72Å; L210-M222 HydrophobicContact CD1-CE 3.61Å; L210-M222 HydrophobicContact CD2-CE 4.15Å; L210-M222 HydrophobicContact CG-CE 3.97Å; L210-I226 HydrophobicContact CD2-CD1 4.26Å; L210-I226 HydrophobicContact CD2-CG1 4.46Å; L210-I226 HydrophobicContact CG-CD1 3.94Å
211E98.2Very high97.1Very high37 Ų3769.8 Ų69.817%0.17335%0.35CS..Hα-helixtrans-61.8-41.4175.1-171.9168.3-178.100111.6T207 D208 L209 E213 A214 Q215 L223 I226 K227 R230T207-E211 PolarHBondContact O-N 3.28Å; D208-E211 PolarHBondContact O-N 3.12Å; L209-E211 VanDerWaalsContact C-N 3.33Å; L209-E211 PolarHBondContact O-N 3.43Å; E211-E213 VanDerWaalsContact C-N 3.35Å; E211-E213 PolarHBondContact O-N 3.05Å; E211-A214 PolarHBondContact O-N 3.22Å; E211-Q215 WeakPolarHBondContact O-CB 3.45Å; E211-Q215 PolarHBondContact O-N 3.11Å; E211-L223 HydrophobicContact CG-CD2 3.77Å; E211-I226 HydrophobicContact CB-CG2 4.12Å; E211-I226 HydrophobicContact CG-CG2 4.45Å; E211-K227 WeakPolarHBondContact OE1-CE 3.36Å; E211-R230 IonicContact OE2-CZ 3.15Å; E211-R230 IonicContact OE2-NH1 2.7Å; E211-R230 PolarHBondContact OE2-NH1 2.87Å; E211-R230 IonicContact OE2-NH2 2.7Å; E211-R230 PolarHBondContact OE2-NH2 3.26Å
212Q98.5Very high97.2Very high107 Ų10767 Ų6750%0.533%0.332SS..Hα-helixtrans-61.2-41.9175.9-66.6-64.9-19.300112.1D208 L209 L210 Q215 F216D208-Q212 WeakPolarHBondContact O-CG 3.47Å; D208-Q212 PolarHBondContact O-N 3.48Å; D208-Q212 VanDerWaalsContact O-N 3.14Å; L209-Q212 WeakPolarHBondContact O-CB 3.1Å; L209-Q212 PolarHBondContact O-N 3.22Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; Q212-Q215 PolarHBondContact O-N 2.98Å; Q212-F216 WeakPolarHBondContact O-CB 3.13Å; Q212-F216 PolarHBondContact O-N 3.37Å
213E98.7Very high97.5Very high11 Ų1160.5 Ų60.55%0.05130%0.297CS..Hα-helixtrans-66.9-46175.1-66.4-45.1117.800112.1R181 M185 V189 L209 L210 E211 Q215 F216 Y217R181-E213 IonicContact CZ-OE1 3.74Å; R181-E213 IonicContact CZ-OE2 2.69Å; R181-E213 IonicContact NE-OE1 3.34Å; R181-E213 PolarHBondContact NE-OE1 2.88Å; R181-E213 IonicContact NE-OE2 3.03Å; R181-E213 PolarHBondContact NE-OE2 2.76Å; R181-E213 IonicContact NH2-OE1 3.57Å; R181-E213 PolarHBondContact NH2-OE1 3.4Å; R181-E213 IonicContact NH2-OE2 2.73Å; M185-E213 HydrophobicContact CB-CB 4.38Å; M185-E213 HydrophobicContact CB-CG 3.46Å; M185-E213 VanDerWaalsContact CB-CG 3.46Å; M185-E213 HydrophobicContact CG-CG 4.23Å; V189-E213 HydrophobicContact CG2-CB 3.99Å; L209-E213 PolarHBondContact O-N 3.24Å; L210-E213 PolarHBondContact O-N 3.15Å; E211-E213 VanDerWaalsContact C-N 3.35Å; E211-E213 PolarHBondContact O-N 3.05Å; E213-Q215 PolarHBondContact O-N 2.8Å; E213-F216 PolarHBondContact O-N 2.85Å; E213-F216 VanDerWaalsContact O-N 3.11Å; E213-Y217 HydrophobicContact CB-CD2 4.23Å; E213-Y217 HydrophobicContact CB-CE2 4.05Å; E213-Y217 WeakPolarHBondContact O-CD2 3.46Å; E213-Y217 PolarHBondContact O-N 2.86Å; E213-Y217 WeakPolarHBondContact OE2-CE2 3.33Å
214A98.6Very high97.8Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-59.1-34.3177.300000112L210 E211 D218 L219 M222 L223 I226L210-A214 WeakPolarHBondContact O-CB 3.26Å; L210-A214 PolarHBondContact O-N 2.72Å; E211-A214 PolarHBondContact O-N 3.22Å; A214-D218 PolarHBondContact O-N 3.06Å; A214-L219 PolarHBondContact O-N 3.32Å; A214-M222 HydrophobicContact CB-CB 4.43Å; A214-M222 HydrophobicContact CB-CE 4.43Å; A214-M222 HydrophobicContact CB-CG 4.16Å; A214-M222 HydrophobicContact CB-SD 4.03Å; A214-L223 HydrophobicContact CB-CD2 3.64Å; A214-L223 HydrophobicContact CB-CG 3.97Å; A214-I226 HydrophobicContact CB-CD1 3.76Å
215Q98.5Very high97.9Very high112 Ų11259.7 Ų59.752%0.52330%0.296SS..Hα-helixtrans-69.3-46.9172.8-173.5173.412.900112.1E211 Q212 E213 Y217 D218 L223E211-Q215 WeakPolarHBondContact O-CB 3.45Å; E211-Q215 PolarHBondContact O-N 3.11Å; Q212-Q215 PolarHBondContact O-N 2.98Å; E213-Q215 PolarHBondContact O-N 2.8Å; Q215-Y217 VanDerWaalsContact C-N 3.29Å; Q215-Y217 PolarHBondContact O-N 3.24Å; Q215-D218 PolarHBondContact O-N 2.69Å; Q215-D218 VanDerWaalsContact O-N 3.11Å; Q215-L223 HydrophobicContact CB-CD1 4.46Å; Q215-L223 HydrophobicContact CB-CD2 4.3Å
216F98.6Very high98Very high66 Ų6651.8 Ų51.829%0.28926%0.259SS..Hα-helixtrans-59.9-38.4178.3173.7-94000112.9H157 I179 R181 Q212 E213 D218H157-F216 AromaticContact CE1-CZ 3.68Å; H157-F216 AromaticContact ND1-CE1 3.92Å; H157-F216 AromaticContact ND1-CZ 3.86Å; H157-F216 PolarHBondContact ND1-O 2.92Å; I179-F216 HydrophobicContact CG2-CE1 4.27Å; R181-F216 HydrophobicContact CG-CD1 3.74Å; R181-F216 HydrophobicContact CG-CE1 3.43Å; R181-F216 VanDerWaalsContact CG-CE1 3.43Å; R181-F216 HydrophobicContact CG-CE2 4.38Å; R181-F216 HydrophobicContact CG-CG 4.36Å; R181-F216 HydrophobicContact CG-CZ 3.78Å; Q212-F216 WeakPolarHBondContact O-CB 3.13Å; Q212-F216 PolarHBondContact O-N 3.37Å; E213-F216 PolarHBondContact O-N 2.85Å; E213-F216 VanDerWaalsContact O-N 3.11Å; F216-D218 VanDerWaalsContact C-N 3.25Å; F216-D218 PolarHBondContact O-N 2.86Å
217Y98.5Very high97.9Very high0 Ų052.7 Ų52.70%026%0.262CS..THydrogen-bonded Turntrans-83.75.4179.4-63.1-63.6000113.8S156 H157 L158 I179 R181 F186 V189 E213 Q215 L219S156-Y217 WeakPolarHBondContact CB-O 3.45Å; H157-Y217 PolarHBondContact N-O 3.08Å; L158-Y217 HydrophobicContact CD1-CD1 3.91Å; L158-Y217 HydrophobicContact CD1-CE1 4.4Å; L158-Y217 HydrophobicContact CD1-CG 4.25Å; L158-Y217 HydrophobicContact CD2-CD1 3.87Å; L158-Y217 HydrophobicContact CD2-CE1 3.9Å; L158-Y217 HydrophobicContact CG-CD1 3.61Å; L158-Y217 HydrophobicContact CG-CE1 4.15Å; L158-Y217 HydrophobicContact CG-CG 4.33Å; I179-Y217 HydrophobicContact CG2-CE1 4.42Å; R181-Y217 VanDerWaalsContact CB-OH 3.29Å; R181-Y217 WeakPolarHBondContact CB-OH 3.39Å; F186-Y217 HydrophobicContact CD2-CE1 4.33Å; F186-Y217 AromaticContact CD2-CE2 3.79Å; F186-Y217 HydrophobicContact CD2-CE2 3.79Å; F186-Y217 AromaticContact CD2-CZ 3.58Å; F186-Y217 WeakPolarHBondContact CD2-OH 3.45Å; F186-Y217 HydrophobicContact CE2-CE1 4.11Å; F186-Y217 HydrophobicContact CE2-CE2 4.25Å; F186-Y217 AromaticContact CE2-CZ 3.82Å; V189-Y217 HydrophobicContact CB-CD2 4.36Å; V189-Y217 HydrophobicContact CG1-CD2 3.75Å; V189-Y217 HydrophobicContact CG1-CE2 4.23Å; V189-Y217 HydrophobicContact CG1-CG 4.24Å; V189-Y217 HydrophobicContact CG2-CD2 3.87Å; V189-Y217 HydrophobicContact CG2-CE2 4.13Å; E213-Y217 HydrophobicContact CB-CD2 4.23Å; E213-Y217 HydrophobicContact CB-CE2 4.05Å; E213-Y217 WeakPolarHBondContact O-CD2 3.46Å; E213-Y217 PolarHBondContact O-N 2.86Å; E213-Y217 WeakPolarHBondContact OE2-CE2 3.33Å; Q215-Y217 VanDerWaalsContact C-N 3.29Å; Q215-Y217 PolarHBondContact O-N 3.24Å; Y217-L219 VanDerWaalsContact C-N 3.28Å; Y217-L219 PolarHBondContact O-N 3.44Å
218D98.4Very high97.9Very high62 Ų6258.9 Ų58.933%0.33228%0.283SS..THydrogen-bonded Turntrans55.534.6-176.3-70.8-29.9000113.7H157 K160 A214 Q215 F216 K220H157-D218 HydrophobicContact CB-CB 4.39Å; K160-D218 IonicContact NZ-OD2 2.95Å; K160-D218 PolarHBondContact NZ-OD2 3.42Å; A214-D218 PolarHBondContact O-N 3.06Å; Q215-D218 PolarHBondContact O-N 2.69Å; Q215-D218 VanDerWaalsContact O-N 3.11Å; F216-D218 VanDerWaalsContact C-N 3.25Å; F216-D218 PolarHBondContact O-N 2.86Å; D218-K220 PolarHBondContact O-N 2.7Å
219L98.5Very high97.7Very high3 Ų356.6 Ų56.62%0.01627%0.266CS..  trans-9076.4-178.2-65.5174.2000111.8Y153 V189 Y192 L193 A214 Y217 D221 M222 L223Y153-L219 HydrophobicContact CD2-CD2 4.15Å; Y153-L219 HydrophobicContact CG-CD2 4.37Å; V189-L219 HydrophobicContact CG1-CD1 3.69Å; Y192-L219 HydrophobicContact CD1-CD1 4.19Å; Y192-L219 HydrophobicContact CE1-CD2 4.47Å; L193-L219 HydrophobicContact CD2-CD1 4.31Å; L193-L219 HydrophobicContact CD2-CD2 3.92Å; A214-L219 PolarHBondContact O-N 3.32Å; Y217-L219 VanDerWaalsContact C-N 3.28Å; Y217-L219 PolarHBondContact O-N 3.44Å; L219-D221 PolarHBondContact O-N 3.25Å; L219-M222 HydrophobicContact CB-CB 3.83Å; L219-M222 HydrophobicContact CB-SD 4.49Å; L219-M222 HydrophobicContact CD1-SD 3.94Å; L219-M222 WeakPolarHBondContact O-CB 3.24Å; L219-M222 PolarHBondContact O-N 2.9Å; L219-M222 VanDerWaalsContact O-N 3.16Å; L219-L223 PolarHBondContact O-N 3.02Å
220K97.5Very high97.2Very high126 Ų12656 Ų5655%0.54826%0.258SS..Hα-helixtrans-55.3-47.1-174.3-62.3172.5-168.81440113.8D155 D218 M222 L223 V224D155-K220 IonicContact OD2-NZ 2.8Å; D155-K220 PolarHBondContact OD2-NZ 3.19Å; D218-K220 PolarHBondContact O-N 2.7Å; K220-M222 VanDerWaalsContact C-N 3.32Å; K220-M222 PolarHBondContact O-N 2.87Å; K220-L223 WeakPolarHBondContact O-CB 3.29Å; K220-L223 PolarHBondContact O-N 3.26Å; K220-V224 PolarHBondContact O-N 3.14Å; K220-V224 VanDerWaalsContact O-N 3.1Å
221D97.7Very high96.8Very high102 Ų10260.5 Ų60.555%0.54529%0.286SS..Hα-helixtrans-65.6-37.9-179.2-71.8-10.7000111.3Y192 L219 L223 V224 L225Y192-D221 WeakPolarHBondContact OH-CB 3.25Å; L219-D221 PolarHBondContact O-N 3.25Å; D221-L223 PolarHBondContact O-N 3.03Å; D221-V224 PolarHBondContact O-N 3.34Å; D221-L225 WeakPolarHBondContact O-CG 3.27Å; D221-L225 PolarHBondContact O-N 2.96Å; D221-L225 VanDerWaalsContact O-N 3.13Å
222M98.3Very high96.2Very high0 Ų062.8 Ų62.80%031%0.306CS..Hα-helixtrans-62-42.4173.3-170.2175.3171.600111.6V189 Y192 L198 L210 A214 L219 K220 V224 L225 I226V189-M222 HydrophobicContact CG2-CE 4.21Å; V189-M222 HydrophobicContact CG2-SD 4.47Å; Y192-M222 HydrophobicContact CD1-CB 3.9Å; Y192-M222 HydrophobicContact CD1-CG 4.12Å; Y192-M222 HydrophobicContact CD1-SD 3.79Å; Y192-M222 HydrophobicContact CD2-CB 4.2Å; Y192-M222 HydrophobicContact CD2-CG 4.05Å; Y192-M222 HydrophobicContact CD2-SD 4.4Å; Y192-M222 HydrophobicContact CE1-CB 3.7Å; Y192-M222 HydrophobicContact CE1-CG 4.39Å; Y192-M222 HydrophobicContact CE2-CB 4.03Å; Y192-M222 HydrophobicContact CE2-CG 4.35Å; Y192-M222 HydrophobicContact CG-CB 4.14Å; Y192-M222 HydrophobicContact CG-CG 3.93Å; Y192-M222 HydrophobicContact CG-SD 3.7Å; Y192-M222 PolarHBondContact OH-N 2.99Å; L198-M222 HydrophobicContact CD1-CE 3.94Å; L198-M222 HydrophobicContact CD1-CG 4.31Å; L210-M222 HydrophobicContact CD1-CE 3.61Å; L210-M222 HydrophobicContact CD2-CE 4.15Å; L210-M222 HydrophobicContact CG-CE 3.97Å; A214-M222 HydrophobicContact CB-CB 4.43Å; A214-M222 HydrophobicContact CB-CE 4.43Å; A214-M222 HydrophobicContact CB-CG 4.16Å; A214-M222 HydrophobicContact CB-SD 4.03Å; L219-M222 HydrophobicContact CB-CB 3.83Å; L219-M222 HydrophobicContact CB-SD 4.49Å; L219-M222 HydrophobicContact CD1-SD 3.94Å; L219-M222 WeakPolarHBondContact O-CB 3.24Å; L219-M222 PolarHBondContact O-N 2.9Å; L219-M222 VanDerWaalsContact O-N 3.16Å; K220-M222 VanDerWaalsContact C-N 3.32Å; K220-M222 PolarHBondContact O-N 2.87Å; M222-V224 VanDerWaalsContact C-N 3.31Å; M222-V224 PolarHBondContact O-N 3.45Å; M222-L225 WeakPolarHBondContact O-CB 3.29Å; M222-L225 PolarHBondContact O-N 3.1Å; M222-L225 VanDerWaalsContact O-N 3.15Å; M222-I226 HydrophobicContact CE-CD1 4.22Å; M222-I226 HydrophobicContact CG-CD1 4.06Å; M222-I226 WeakPolarHBondContact O-CG1 3.35Å; M222-I226 PolarHBondContact O-N 3.12Å
223L98.1Very high95.1Very high29 Ų2961.6 Ų61.615%0.15231%0.31CS..Hα-helixtrans-59.6-40.6176-71.2170.1000112.2E211 A214 Q215 L219 K220 D221 L225 I226 K227E211-L223 HydrophobicContact CG-CD2 3.77Å; A214-L223 HydrophobicContact CB-CD2 3.64Å; A214-L223 HydrophobicContact CB-CG 3.97Å; Q215-L223 HydrophobicContact CB-CD1 4.46Å; Q215-L223 HydrophobicContact CB-CD2 4.3Å; L219-L223 PolarHBondContact O-N 3.02Å; K220-L223 WeakPolarHBondContact O-CB 3.29Å; K220-L223 PolarHBondContact O-N 3.26Å; D221-L223 PolarHBondContact O-N 3.03Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.09Å; L223-I226 PolarHBondContact O-N 3.02Å; L223-K227 WeakPolarHBondContact O-CG 3.32Å; L223-K227 PolarHBondContact O-N 2.97Å
224V97.8Very high93.6Very high92 Ų9267.1 Ų67.156%0.55834%0.339SS*.Hα-helixtrans-61.4-43.7175.1174.60000110.7K220 D221 M222 K227 R228K220-V224 PolarHBondContact O-N 3.14Å; K220-V224 VanDerWaalsContact O-N 3.1Å; D221-V224 PolarHBondContact O-N 3.34Å; M222-V224 VanDerWaalsContact C-N 3.31Å; M222-V224 PolarHBondContact O-N 3.45Å; V224-K227 PolarHBondContact O-N 2.98Å; V224-R228 WeakPolarHBondContact O-CB 3.11Å; V224-R228 PolarHBondContact O-N 2.78Å
225L97.6Very high91.8Very high35 Ų3570.2 Ų70.218%0.18337%0.371CS..Hα-helixtrans-63.4-42.2177.6-62.7175.1000112.3Y192 L198 D221 M222 L223 R228 R229Y192-L225 HydrophobicContact CD2-CD1 4.36Å; Y192-L225 HydrophobicContact CE2-CD1 3.68Å; L198-L225 HydrophobicContact CB-CB 3.99Å; L198-L225 HydrophobicContact CB-CD1 3.93Å; L198-L225 HydrophobicContact CD2-CB 3.76Å; L198-L225 HydrophobicContact CG-CB 4.48Å; D221-L225 WeakPolarHBondContact O-CG 3.27Å; D221-L225 PolarHBondContact O-N 2.96Å; D221-L225 VanDerWaalsContact O-N 3.13Å; M222-L225 WeakPolarHBondContact O-CB 3.29Å; M222-L225 PolarHBondContact O-N 3.1Å; M222-L225 VanDerWaalsContact O-N 3.15Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.09Å; L225-R228 PolarHBondContact O-N 3.45Å; L225-R229 PolarHBondContact O-N 2.69Å
226I97.3Very high89.9Confident1 Ų172 Ų721%0.00538%0.384CS..Hα-helixtrans-62-48.8177.9-69.7166.9000110.4L198 T207 L210 E211 A214 M222 L223 R228 R229 R230L198-I226 HydrophobicContact CD1-CG1 4.07Å; L198-I226 HydrophobicContact CD2-CB 4.45Å; L198-I226 HydrophobicContact CD2-CG1 3.78Å; T207-I226 HydrophobicContact CG2-CG2 3.68Å; L210-I226 HydrophobicContact CD2-CD1 4.26Å; L210-I226 HydrophobicContact CD2-CG1 4.46Å; L210-I226 HydrophobicContact CG-CD1 3.94Å; E211-I226 HydrophobicContact CB-CG2 4.12Å; E211-I226 HydrophobicContact CG-CG2 4.45Å; A214-I226 HydrophobicContact CB-CD1 3.76Å; M222-I226 HydrophobicContact CE-CD1 4.22Å; M222-I226 HydrophobicContact CG-CD1 4.06Å; M222-I226 WeakPolarHBondContact O-CG1 3.35Å; M222-I226 PolarHBondContact O-N 3.12Å; L223-I226 PolarHBondContact O-N 3.02Å; I226-R228 PolarHBondContact O-N 3.27Å; I226-R229 WeakPolarHBondContact O-CB 3.4Å; I226-R229 PolarHBondContact O-N 3.1Å; I226-R230 PolarHBondContact O-N 2.53Å; I226-R230 VanDerWaalsContact O-N 3.11Å
227K95.6Very high87.6Confident111 Ų11173.3 Ų73.348%0.48341%0.407SS..Hα-helixtrans-61.9-42.6179.1-71.9175.4-178.8-179.30112E211 L223 V224 R229 R230 T231E211-K227 WeakPolarHBondContact OE1-CE 3.36Å; L223-K227 WeakPolarHBondContact O-CG 3.32Å; L223-K227 PolarHBondContact O-N 2.97Å; V224-K227 PolarHBondContact O-N 2.98Å; K227-R229 VanDerWaalsContact C-N 3.35Å; K227-R229 PolarHBondContact O-N 3.43Å; K227-R230 PolarHBondContact O-N 2.86Å; K227-T231 PolarHBondContact O-N 2.76Å; K227-T231 VanDerWaalsContact O-N 3.1Å; K227-T231 PolarHBondContact O-OG1 3.12Å
228R95.3Very high84.7Confident152 Ų15279.9 Ų79.957%0.57448%0.476SS*.Hα-helixtrans-60.4-43.1175.9-175.217666.2-170.85.4112V224 L225 I226 R230 T231 S232V224-R228 WeakPolarHBondContact O-CB 3.11Å; V224-R228 PolarHBondContact O-N 2.78Å; L225-R228 PolarHBondContact O-N 3.45Å; I226-R228 PolarHBondContact O-N 3.27Å; R228-R230 VanDerWaalsContact C-N 3.34Å; R228-R230 PolarHBondContact O-N 3.06Å; R228-T231 WeakPolarHBondContact CA-OG1 3.36Å; R228-T231 PolarHBondContact O-N 3.29Å; R228-T231 PolarHBondContact O-OG1 3.28Å; R228-S232 PolarHBondContact O-N 2.83Å; R228-S232 VanDerWaalsContact O-N 3.07Å; R228-S232 PolarHBondContact O-OG 2.93Å
229R93Very high84Confident62 Ų6280.8 Ų80.823%0.23448%0.483CS..Hα-helixtrans-59.7-45.2176.7-170.8-178-171.8-1525.7111.3P201 L225 I226 K227 T231 S232 S233P201-R229 PolarHBondContact O-NH2 3.38Å; L225-R229 PolarHBondContact O-N 2.69Å; I226-R229 WeakPolarHBondContact O-CB 3.4Å; I226-R229 PolarHBondContact O-N 3.1Å; K227-R229 VanDerWaalsContact C-N 3.35Å; K227-R229 PolarHBondContact O-N 3.43Å; R229-T231 VanDerWaalsContact C-N 3.34Å; R229-T231 PolarHBondContact O-N 3.23Å; R229-S232 PolarHBondContact O-N 2.74Å; R229-S233 PolarHBondContact O-N 3.14Å; R229-S233 PolarHBondContact O-OG 3.39Å
230R88Confident83.2Confident68 Ų6884.9 Ų84.926%0.25751%0.507SS..Hα-helixtrans-60.3-42.2178.4-168.1179.5-70.1114.1-7.7112.1D208 E211 I226 K227 R228 S233 N234D208-R230 IonicContact OD1-CZ 3.49Å; D208-R230 IonicContact OD1-NE 3.35Å; D208-R230 IonicContact OD1-NH2 3.61Å; D208-R230 PolarHBondContact OD1-NH2 3.37Å; E211-R230 IonicContact OE2-CZ 3.15Å; E211-R230 IonicContact OE2-NH1 2.7Å; E211-R230 PolarHBondContact OE2-NH1 2.87Å; E211-R230 IonicContact OE2-NH2 2.7Å; E211-R230 PolarHBondContact OE2-NH2 3.26Å; I226-R230 PolarHBondContact O-N 2.53Å; I226-R230 VanDerWaalsContact O-N 3.11Å; K227-R230 PolarHBondContact O-N 2.86Å; R228-R230 VanDerWaalsContact C-N 3.34Å; R228-R230 PolarHBondContact O-N 3.06Å; R230-S233 PolarHBondContact O-N 2.87Å; R230-N234 PolarHBondContact O-N 2.87Å; R230-N234 VanDerWaalsContact O-N 3.12Å
231T89.5Confident82.4Confident95 Ų9582.6 Ų82.658%0.58351%0.505SS*.Hα-helixtrans-67.3-35.6177.352.50000113.1K227 R228 R229 G235K227-T231 PolarHBondContact O-N 2.76Å; K227-T231 VanDerWaalsContact O-N 3.1Å; K227-T231 PolarHBondContact O-OG1 3.12Å; R228-T231 WeakPolarHBondContact CA-OG1 3.36Å; R228-T231 PolarHBondContact O-N 3.29Å; R228-T231 PolarHBondContact O-OG1 3.28Å; R229-T231 VanDerWaalsContact C-N 3.34Å; R229-T231 PolarHBondContact O-N 3.23Å; T231-G235 PolarHBondContact O-N 3.09Å
232S85.6Confident81.5Confident85 Ų8581.5 Ų81.559%0.59450%0.503SS*.Hα-helixtrans-69.7-35.9176.6-620000112.5R228 R229R228-S232 PolarHBondContact O-N 2.83Å; R228-S232 VanDerWaalsContact O-N 3.07Å; R228-S232 PolarHBondContact O-OG 2.93Å; R229-S232 PolarHBondContact O-N 2.74Å
233S77.1Confident80.5Confident82 Ų8286.6 Ų86.657%0.57353%0.534SS*.Hα-helixtrans-71.5-35.2176.7-60.10000112.9R229 R230R229-S233 PolarHBondContact O-N 3.14Å; R229-S233 PolarHBondContact O-OG 3.39Å; R230-S233 PolarHBondContact O-N 2.87Å
234N66.2Low79.3Confident127 Ų12790.4 Ų90.468%0.67956%0.56SS**Hα-helixtrans-79.2-16.7179.7-79.823.3000113.9R230R230-N234 PolarHBondContact O-N 2.87Å; R230-N234 VanDerWaalsContact O-N 3.12Å
235G61.8Low78Confident65 Ų6590.3 Ų90.367%0.6756%0.56SS**THydrogen-bonded Turntrans-82-3.2-177.600000115.9T231T231-G235 PolarHBondContact O-N 3.09Å
236N57Low76.4Confident148 Ų14894.5 Ų94.579%0.79159%0.589SS**THydrogen-bonded Turntrans-110.420.1-177.3-156.650.1000113.4
237A51.2Low74.7Confident94 Ų94102.3 Ų102.378%0.77764%0.637SS**  trans-116.121.7-17800000113.8
238G36.4Very low72.8Confident139 Ų139101.5 Ų101.5100%1.43365%0.651SS**  trans-122.10170.100000110.6

Retrieved 238 of 238 residues in 42.2 ms (Link to these results)