A0A3Q0KQT3_SCHMA Loading...

PPP1R35_C domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KQT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 398 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M34.8Very low31.2Very low236 Ų236145.5 Ų145.5100%1.16382%0.822SS**  0116.80-77.2164.285.800106.2
2S31.5Very low31.2Very low116 Ų116148.2 Ų148.281%0.81183%0.831SS**  trans-83.3123.2176.8-48.80000107.6
3D35.7Very low31.2Very low162 Ų162146.9 Ų146.987%0.86682%0.821SS**  trans-132.1116.5156.9-85.6-40.5000108
4V32.2Very low31.1Very low124 Ų124144.2 Ų144.275%0.75282%0.817SS**  trans-112.7116.7172.81670000104.9
5N34.3Very low31.3Very low136 Ų136141.3 Ų141.373%0.72781%0.81SS**  trans179101.3152.4-88.8-35.7000106.8
6Q29.7Very low31.4Very low155 Ų155142.3 Ų142.372%0.72481%0.811SS**  96129.387.9-88.6-161.582.200112.8
7L28.5Very low31.8Very low148 Ų148141.8 Ų141.878%0.77581%0.812SS**  trans75104.6153.5-63.9152.7000118
8T29.9Very low31.9Very low129 Ų129142.2 Ų142.279%0.79181%0.81SS**  174.1109.8100.9-57.10000108.7
9N26.3Very low31.9Very low166 Ų166138.9 Ų138.989%0.88880%0.803SS**  trans-79.4125.6167.7-80.8-34.9000108.9
10P31.7Very low31.7Very low108 Ų108143.2 Ų143.270%0.70181%0.807SS**  trans-82.8138.2178.231.3-31.4000112.3
11S28.3Very low31.8Very low120 Ų120141 Ų14184%0.83980%0.799SS**  trans26.195.7137.4168.30000116.5
12L31.7Very low31.6Very low178 Ų178141.1 Ų141.193%0.93279%0.786SS**  trans-91.1122.2167.3-123.6150.6000109.4
13D31.1Very low31.7Very low132 Ų132145.6 Ų145.671%0.70679%0.791SS**  trans-66.2143.4-169.8-157-7.2000113.4
14S29.2Very low31.6Very low109 Ų109142.2 Ų142.276%0.76279%0.786SS**  trans-93.898.3176.454.20000109.8
15S34.4Very low31.5Very low101 Ų101139.9 Ų139.971%0.70679%0.787SS**  trans-168.980.7157.446.40000112.2
16D32.5Very low31.3Very low156 Ų156145 Ų14583%0.83480%0.796SS**  trans-156.563.4147.7-140-6.7000110.6
17V38.2Very low31.2Very low135 Ų135143.9 Ų143.982%0.81880%0.8SS**  trans-108.386.7166.71770000106.2
18D35Very low31.5Very low148 Ų148145.2 Ų145.279%0.79181%0.807SS**  trans176.871.8148.4-93.4-19.9000110.6
19A30.1Very low31.5Very low81 Ų81150 Ų15067%0.66981%0.811SS**  trans-138127.1164.800000110.4
20Y29Very low31.5Very low224 Ų224151.4 Ų151.488%0.87881%0.809SS**SBendtrans107137.9174.1-71-85.8000117.4
21P33.3Very low31.4Very low98 Ų98153.5 Ų153.564%0.63681%0.814SS**  -108.9141.2-124.25.117.9000112.3F23P21-F23 PolarHBondContact O-N 3.11Å
22R30.2Very low31.8Very low238 Ų238156 Ų15690%0.89882%0.817SS**  trans-59.6106.3173.2-61.6178.9-177167.12.6109.9A24R22-A24 PolarHBondContact O-N 3.34Å
23F34.6Very low31.6Very low209 Ų209152.4 Ų152.492%0.91781%0.807SS**  trans-63.8103.8165.2-86.7-86.8000108.6P21 G25P21-F23 PolarHBondContact O-N 3.11Å; F23-G25 PolarHBondContact O-N 3.14Å
24A34.3Very low31.7Very low91 Ų91152.4 Ų152.475%0.75281%0.807SS**  trans-62.6122.517500000109.8R22 R26R22-A24 PolarHBondContact O-N 3.34Å; A24-R26 PolarHBondContact O-N 3.19Å; A24-R26 VanDerWaalsContact O-N 3.14Å
25G28.6Very low31.9Very low76 Ų76155.9 Ų155.978%0.78481%0.808SS**  trans-54.6116.6174.800000111.5F23F23-G25 PolarHBondContact O-N 3.14Å
26R30.1Very low31.9Very low242 Ų242158.7 Ų158.791%0.91382%0.815SS**  trans-92.2101.4158.6-88.3-171175.8-139.51.2108.9A24 L28A24-R26 PolarHBondContact O-N 3.19Å; A24-R26 VanDerWaalsContact O-N 3.14Å; R26-L28 PolarHBondContact O-N 3.04Å
27T28.4Very low31.9Very low132 Ų132157.1 Ų157.181%0.8181%0.813SS**  trans-52.5111.9154.112.10000109.6
28L34.8Very low31.8Very low176 Ų176156.2 Ų156.292%0.92181%0.813SS**  trans-94.6117.2154.2-95.2166.6000107.6R26R26-L28 PolarHBondContact O-N 3.04Å
29R29.6Very low31.8Very low231 Ų231154.9 Ų154.987%0.87281%0.812SS**  trans-64.1140.7-175.4-71-178.1176.8170.8-1.5111.2D31R29-D31 PolarHBondContact O-N 3.38Å
30K25.7Very low32Very low195 Ų195156 Ų15685%0.84882%0.815SS**  trans-37.8122.5145.2-122.1169.7176.9173.90109.8
31D30.9Very low32.5Very low152 Ų152154.8 Ų154.881%0.81381%0.814SS**  trans172.3103.4137.9-82.3-20.6000109.2R29R29-D31 PolarHBondContact O-N 3.38Å
32L35.5Very low32.5Very low173 Ų173158.7 Ų158.791%0.90682%0.824SS**  trans-169.985.8145.7-101152.7000107.6
33S27.7Very low33Very low102 Ų102152.4 Ų152.471%0.71381%0.812SS**  trans-67.5122.6148.3178.10000107
34D34.4Very low32.9Very low131 Ų131151.9 Ų151.970%0.70180%0.804SS**  trans175.7120.8130.8-91-5.2000113.9
35K33.3Very low33.1Very low183 Ų183156.3 Ų156.380%0.79681%0.806SS**  trans78.5120.6146.4-59.7-167-177.8-164.50122.2
36L33.6Very low33.2Very low160 Ų160161.6 Ų161.684%0.83880%0.803SS**  trans98.9122.3147.6-11878.2000118.1
37P33.6Very low33.5Very low123 Ų123155.3 Ų155.380%0.79979%0.793SS**  trans-88.1136.7-174.835.2-29.7000110.6
38S34.3Very low33.7Very low116 Ų116156.2 Ų156.281%0.81179%0.793SS**  trans-118.6141.2165-70.90000109.7
39P36Very low33.6Very low119 Ų119153.3 Ų153.377%0.77378%0.782SS**  trans-85.2153.7-144.232-34.7000113.6K41P39-K41 PolarHBondContact O-N 3.2Å
40S33.8Very low33.9Very low106 Ų106148.3 Ų148.374%0.74177%0.771SS**  trans-27.8118159.1-179.50000112.4Q42S40-Q42 PolarHBondContact O-N 3.37Å
41K39.2Very low34.1Very low198 Ų198144.3 Ų144.386%0.86176%0.764SS**  trans-6489166.1-70.9175.8179.3177.30107.6P39 V43P39-K41 PolarHBondContact O-N 3.2Å; K41-V43 PolarHBondContact O-N 3.4Å
42Q34.5Very low34.2Very low179 Ų179142.8 Ų142.884%0.83676%0.756SS**  trans-61.4103.1160.4-83.2-179.5-9.100107.6S40 R44S40-Q42 PolarHBondContact O-N 3.37Å; Q42-R44 VanDerWaalsContact C-N 3.29Å; Q42-R44 PolarHBondContact O-N 3.35Å
43V40.7Very low34Very low106 Ų106139.6 Ų139.664%0.64275%0.748SS**  trans-68.592.5167.7177.90000106.7K41 F45K41-V43 PolarHBondContact O-N 3.4Å; V43-F45 HydrophobicContact CG1-CD2 4.47Å; V43-F45 HydrophobicContact CG1-CE1 4.4Å; V43-F45 HydrophobicContact CG1-CE2 4.07Å; V43-F45 HydrophobicContact CG1-CZ 4.03Å; V43-F45 PolarHBondContact O-N 3.22Å
44R32.7Very low34.2Very low199 Ų199141.8 Ų141.875%0.75175%0.745SS**  trans-77.5102.4174.9-167.6174.3-174.6163.53.1107.7Q42 R46Q42-R44 VanDerWaalsContact C-N 3.29Å; Q42-R44 PolarHBondContact O-N 3.35Å; R44-R46 PolarHBondContact O-N 3.35Å
45F37.1Very low34.3Very low183 Ų183143 Ų14380%0.80375%0.751SS**  trans-64.8104.5168.2-66.5-83.4000108.5V43 P47V43-F45 HydrophobicContact CG1-CD2 4.47Å; V43-F45 HydrophobicContact CG1-CE1 4.4Å; V43-F45 HydrophobicContact CG1-CE2 4.07Å; V43-F45 HydrophobicContact CG1-CZ 4.03Å; V43-F45 PolarHBondContact O-N 3.22Å; F45-P47 WeakPolarHBondContact O-CD 3.39Å
46R32.3Very low34.4Very low188 Ų188143.4 Ų143.471%0.70976%0.756SS**  trans-84.8115.5162.8-76.3-91.6-176.6158.90106R44 N48R44-R46 PolarHBondContact O-N 3.35Å; R46-N48 PolarHBondContact O-N 3.11Å
47P36.4Very low34.2Very low110 Ų110141.8 Ų141.871%0.71475%0.747SS**  trans-62.5120.5170.623.5-29.3000107.8F45 V49F45-P47 WeakPolarHBondContact O-CD 3.39Å; P47-V49 PolarHBondContact O-N 3.12Å
48N32.3Very low34.2Very low150 Ų150140.7 Ų140.780%0.80275%0.748SS**  trans-65.293.4167.1-89.4-11.9000107.2R46 I50R46-N48 PolarHBondContact O-N 3.11Å; N48-I50 HydrophobicContact CB-CG1 4.31Å; N48-I50 PolarHBondContact O-N 2.76Å; N48-I50 VanDerWaalsContact O-N 3.07Å
49V32.9Very low34.4Very low115 Ų115142.3 Ų142.370%0.69775%0.748SS**  trans-72.492.2158.7-177.10000105.1P47 T51P47-V49 PolarHBondContact O-N 3.12Å; V49-T51 HydrophobicContact CG1-CG2 3.82Å; V49-T51 PolarHBondContact O-N 2.92Å
50I34.7Very low34.1Very low126 Ų126145.6 Ų145.665%0.64675%0.75SS**  trans-75.391.1165.7-47.6177.3000105.2N48 N52N48-I50 HydrophobicContact CB-CG1 4.31Å; N48-I50 PolarHBondContact O-N 2.76Å; N48-I50 VanDerWaalsContact O-N 3.07Å; I50-N52 WeakPolarHBondContact CG2-OD1 3.32Å; I50-N52 PolarHBondContact O-N 3.1Å
51T31.1Very low33.9Very low112 Ų112149.1 Ų149.169%0.68776%0.757SS**  trans-67.792.1161.350.70000106.6V49 S53V49-T51 HydrophobicContact CG1-CG2 3.82Å; V49-T51 PolarHBondContact O-N 2.92Å; T51-S53 PolarHBondContact O-N 3.04Å
52N32.7Very low33.4Very low120 Ų120144.6 Ų144.664%0.64275%0.75SS**  trans-68.787.5166.4-77.6-19.4000107.6I50 F54I50-N52 WeakPolarHBondContact CG2-OD1 3.32Å; I50-N52 PolarHBondContact O-N 3.1Å; N52-F54 HydrophobicContact CB-CD2 4.16Å; N52-F54 PolarHBondContact O-N 2.86Å
53S30.4Very low33.2Very low106 Ų106142.7 Ų142.774%0.74175%0.745SS**  trans-68.180.6159.659.30000107.9T51T51-S53 PolarHBondContact O-N 3.04Å
54F31.5Very low32.6Very low148 Ų148144 Ų14465%0.64975%0.749SS**  trans-134.746.1174.6-80.2-77.6000110.7N52 H56N52-F54 HydrophobicContact CB-CD2 4.16Å; N52-F54 PolarHBondContact O-N 2.86Å; F54-H56 PolarHBondContact O-N 3.02Å
55D36.2Very low32.6Very low157 Ų157143.7 Ų143.784%0.8475%0.753SS**THydrogen-bonded Turntrans-80.111.1169.8-78.9-27.2000113.6
56H36.5Very low32.3Very low191 Ų191139.9 Ų139.988%0.88475%0.745SS**THydrogen-bonded Turntrans-134.420.5177.9-80.3-47000115.9F54F54-H56 PolarHBondContact O-N 3.02Å
57L28.8Very low32.6Very low126 Ų126139.4 Ų139.466%0.6675%0.75SS**  trans-144.345174.3-129.7114.6000113.5
58A34.8Very low32.7Very low99 Ų99140.1 Ų140.182%0.81875%0.753SS**  trans-84.4-7.2172.800000113.8
59D37Very low32.6Very low150 Ų150136.1 Ų136.180%0.80275%0.747SS**SBendtrans-100.8109.7171.5-82.8-25.2000109.8
60K30.3Very low32.9Very low189 Ų189138.6 Ų138.682%0.82275%0.749SS**SBendtrans91.781175.1-52.3176.3179.1-170.40116.2
61M30.5Very low33.1Very low179 Ų179139.4 Ų139.488%0.88275%0.754SS**  -158.2106.6121.8-93.2-131.5-9300108.9L63M61-L63 PolarHBondContact O-N 2.89Å; M61-L63 VanDerWaalsContact O-N 3.17Å
62S28.3Very low33.5Very low104 Ų104142.3 Ų142.373%0.72776%0.76SS**  trans-56113.5159-58.90000107.6D64S62-D64 VanDerWaalsContact C-N 3.26Å; S62-D64 PolarHBondContact O-N 3.46Å
63L30.8Very low33.5Very low139 Ų139142.8 Ų142.873%0.72876%0.762SS**  trans-75.787.5170-144.488.8000106.7M61 F65M61-L63 PolarHBondContact O-N 2.89Å; M61-L63 VanDerWaalsContact O-N 3.17Å; L63-F65 HydrophobicContact CD2-CE1 4.4Å; L63-F65 HydrophobicContact CD2-CE2 4.43Å; L63-F65 HydrophobicContact CD2-CZ 4.04Å; L63-F65 PolarHBondContact O-N 3.47Å; L63-F65 VanDerWaalsContact O-N 3.11Å
64D27.9Very low33.9Very low134 Ų134142.6 Ų142.672%0.71776%0.757SS**  trans-67107.2171.9-79.3-23.9000108.3S62 T66S62-D64 VanDerWaalsContact C-N 3.26Å; S62-D64 PolarHBondContact O-N 3.46Å; D64-T66 PolarHBondContact O-N 3.45Å
65F32.6Very low33.9Very low192 Ų192142.5 Ų142.584%0.84276%0.763SS**  trans-71.178.1165.9-68.8-84000108.5L63L63-F65 HydrophobicContact CD2-CE1 4.4Å; L63-F65 HydrophobicContact CD2-CE2 4.43Å; L63-F65 HydrophobicContact CD2-CZ 4.04Å; L63-F65 PolarHBondContact O-N 3.47Å; L63-F65 VanDerWaalsContact O-N 3.11Å
66T30Very low33.7Very low103 Ų103141.6 Ų141.663%0.63276%0.757SS**  trans-70.5136.1162.150.80000108.7D64 T68D64-T66 PolarHBondContact O-N 3.45Å; T66-T68 PolarHBondContact O-N 3.34Å
67E38.7Very low33.3Very low177 Ų177138.2 Ų138.283%0.82775%0.75SS**THydrogen-bonded Turntrans-55.213.7-167.4-163.1171.7170.500117.5
68T38.4Very low33.2Very low125 Ų125138 Ų13877%0.76776%0.759SS**THydrogen-bonded Turntrans-117.816.8-176.152.10000114.8T66T66-T68 PolarHBondContact O-N 3.34Å
69G31.5Very low32.8Very low66 Ų66137.9 Ų137.968%0.6875%0.752SS**  trans-95.820.4-178.900000116.8
70F38.1Very low32.6Very low167 Ų167140.3 Ų140.373%0.73276%0.756SS**G310 helixtrans-87.91.3-172.6-91.2-77000116.3E72F70-E72 PolarHBondContact O-N 2.73Å
71D40Very low32.3Very low143 Ų143134.5 Ų134.577%0.76575%0.75SS**G310 helixtrans-87.42.1-176.6-71.4-23.8000115.3
72E38.6Very low32.1Very low174 Ų174134 Ų13481%0.81375%0.75SS**G310 helixtrans-103.4-8.4179.1-110.2-176.8178.100115.6F70F70-E72 PolarHBondContact O-N 2.73Å
73L33Very low32Very low130 Ų130134.3 Ų134.368%0.68175%0.753SS**SBendtrans-103.9-0.8-178.7-68.5177.6000115.1N75 I76L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.34Å; L73-I76 HydrophobicContact CD2-CD1 4.3Å
74T38.7Very low31.8Very low101 Ų101135 Ų13562%0.6276%0.757SS**THydrogen-bonded Turntrans-81.9-1.7173.431.40000114.2
75N30.7Very low31.8Very low146 Ų146134.3 Ų134.378%0.78176%0.763SS**THydrogen-bonded Turntrans-106.625.7178-72.2-33.9000114.8L73L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.34Å
76I31.8Very low31.6Very low138 Ų138132.4 Ų132.471%0.70876%0.76SS**  trans-114.357.5166.3-39.3176.9000109.2L73L73-I76 HydrophobicContact CD2-CD1 4.3Å
77T28.4Very low31.4Very low121 Ų121132.8 Ų132.874%0.74277%0.767SS**SBendtrans-137.8116161.1-20.80000106.4
78S27.9Very low31Very low122 Ų122131.4 Ų131.485%0.85376%0.763SS**  trans105.585.2176.5790000116.9
79S26Very low30.5Very low96 Ų96132.9 Ų132.967%0.67177%0.766SS**  trans-161.1121.2135.1-131.60000111.7
80F31.9Very low30.1Very low200 Ų200140.6 Ų140.688%0.87778%0.775SS**  trans73.4113.5170.7-50.4-76.3000115.6
81G25.3Very low29.6Very low68 Ų68140 Ų14070%0.70178%0.779SS**  cis100.4107.530.100000108.9
82N26.3Very low29Very low167 Ų167144.4 Ų144.489%0.89379%0.785SS**  trans-1.8117.7168.8-64.8-13.2000117.3
83S26.3Very low28.3Very low111 Ų111145.6 Ų145.678%0.77678%0.783SS**  trans-156.3102.6152.6-60.50000110
84D26.1Very low28.2Very low155 Ų155145.3 Ų145.383%0.82979%0.789SS**  trans51.8116.8147.1-55.5-24.2000121.9I86D84-I86 PolarHBondContact O-N 2.96Å
85S26.7Very low28Very low119 Ų119145.4 Ų145.483%0.83279%0.792SS**  trans-46.9111166.3-45.50000113.2S87S85-S87 PolarHBondContact O-N 3.22Å; S85-S87 VanDerWaalsContact O-N 3.12Å
86I29.4Very low28.1Very low151 Ų151146.2 Ų146.277%0.77480%0.796SS**  trans-71.8103.3165.3-62.9174.2000107.8D84 I88D84-I86 PolarHBondContact O-N 2.96Å; I86-I88 HydrophobicContact CG2-CD1 3.69Å; I86-I88 HydrophobicContact CG2-CG1 3.74Å
87S25.3Very low27.9Very low111 Ų111147.1 Ų147.178%0.77680%0.802SS**  trans-90.8117.4165.952.50000108.9S85S85-S87 PolarHBondContact O-N 3.22Å; S85-S87 VanDerWaalsContact O-N 3.12Å
88I30.2Very low27.9Very low148 Ų148145.6 Ų145.676%0.75980%0.802SS**  trans-12799.9171.1-62.1176.7000110I86I86-I88 HydrophobicContact CG2-CD1 3.69Å; I86-I88 HydrophobicContact CG2-CG1 3.74Å
89L27.9Very low28.3Very low157 Ų157145.8 Ų145.882%0.82280%0.8SS**  trans8.3120.2148.6-96.7129.8000121
90R23.3Very low28.6Very low228 Ų228148.2 Ų148.286%0.8681%0.811SS**  trans-76.2109.8164.5-168.3179.5-167.91652.7110.1
91N27.8Very low28.4Very low154 Ų154147.1 Ų147.182%0.82481%0.809SS**  trans-71.1130.9167.9-85.7-18.6000110.4
92R27.8Very low28.5Very low236 Ų236151.6 Ų151.689%0.89182%0.817SS**  trans-81.3136.2176.8-70.8178178.7162.7-1110.7
93Y24.1Very low28.4Very low199 Ų199150.6 Ų150.678%0.7881%0.806SS**  trans-3.5161.2153.8-65-87.2000121.4
94P29.8Very low28.6Very low124 Ų124155.5 Ų155.581%0.80581%0.814SS**  -125.6159.391.837.9-31.4000113.8
95P34.7Very low28.5Very low103 Ų103156.7 Ų156.767%0.66981%0.808SS**  trans-97.3131.2-17435.4-26.4000111.8
96D32.2Very low28.4Very low162 Ų162157 Ų15787%0.86681%0.809SS**  trans-125.1131.1159.7-87.7-37.8000110
97N28.3Very low28.2Very low157 Ų157158.6 Ų158.684%0.8481%0.811SS**  trans-55156.7172.3-51.2-71000110.4
98A28.3Very low28.4Very low89 Ų89162.3 Ų162.374%0.73682%0.816SS**  cis-165.517228.700000108.5
99P36.7Very low28.3Very low127 Ų127160.8 Ų160.883%0.82581%0.813SS**  trans-96136.5-148.435.9-32.5000114.6
100T31.5Very low28.3Very low146 Ų146160.8 Ų160.890%0.89681%0.813SS**  trans-103.7109.9155.23.20000109N102T100-N102 PolarHBondContact O-N 3.22Å
101Q28.7Very low28.5Very low178 Ų178159.4 Ų159.483%0.83281%0.81SS**  trans-56.6106.7172.5-176.2172.15.200110.4
102N27.7Very low28.6Very low162 Ų162159.1 Ų159.187%0.86681%0.808SS**  trans-139.7108.1152.6-111.4-23.4000109.3T100 F104T100-N102 PolarHBondContact O-N 3.22Å; N102-F104 PolarHBondContact O-N 2.96Å
103Q24.6Very low28.7Very low145 Ų145153.4 Ų153.468%0.67880%0.799SS**  trans-62.6120168.1-72.7166.3-49.500108.6
104F28.7Very low29.1Very low214 Ų214148.1 Ų148.194%0.93979%0.791SS**  trans-147.1120.3136.3-100.3-75.4000109.4N102N102-F104 PolarHBondContact O-N 2.96Å
105Y24.2Very low29.2Very low181 Ų181150.8 Ų150.871%0.7179%0.793SS**  trans-76.7112.9-178.5-83.6-104.1000110.3
106C24.5Very low29.2Very low125 Ų125150.2 Ų150.285%0.84580%0.796SS**  trans-98.394.2152.9-81.80000108.5Q108C106-Q108 PolarHBondContact O-N 3.47Å
107K26.1Very low29.2Very low185 Ų185149 Ų14980%0.80479%0.787SS**  trans-66.4109.5161.8-68-178.3176.8-178.40107.7
108Q29.2Very low29.5Very low189 Ų189148.7 Ų148.788%0.88378%0.781SS**  trans-113.7115.5152.5-151.9160.540.800107.8C106 L110C106-Q108 PolarHBondContact O-N 3.47Å; Q108-L110 PolarHBondContact O-N 3.05Å; Q108-L110 VanDerWaalsContact O-N 3.16Å
109T28.7Very low29.7Very low116 Ų116151.6 Ų151.671%0.71278%0.784SS**  trans-61.2105.1178.845.10000109.7Y111T109-Y111 VanDerWaalsContact C-N 3.34Å; T109-Y111 PolarHBondContact O-N 3.26Å
110L26.6Very low29.5Very low157 Ų157151.7 Ų151.782%0.82278%0.778SS**  trans-84.185.9156.8-161.9111.3000106.4Q108Q108-L110 PolarHBondContact O-N 3.05Å; Q108-L110 VanDerWaalsContact O-N 3.16Å
111Y27.9Very low29.9Very low199 Ų199149.1 Ų149.178%0.7876%0.761SS**  trans-114132.7163.7-89.8-82.8000107.7T109T109-Y111 VanDerWaalsContact C-N 3.34Å; T109-Y111 PolarHBondContact O-N 3.26Å
112D29.7Very low30.3Very low148 Ų148147.6 Ų147.679%0.79176%0.759SS**SBendtrans75.667.7167.4-62.8-14.1000120.4
113V30.7Very low30.6Very low116 Ų116149 Ų14970%0.70376%0.757SS**SBendtrans-154.754.6131.3-162.40000110.8
114S32.7Very low30.8Very low87 Ų87150.5 Ų150.561%0.60877%0.767SS**SBendtrans-122.5-10.3170.7-59.90000114.8
115E32.4Very low30.8Very low181 Ų181145 Ų14585%0.84675%0.754SS**SBendtrans-97.8-20.9-179.1-153.7170.6-174.400114.2
116A33.8Very low31Very low90 Ų90144.2 Ų144.274%0.74476%0.761SS**SBendtrans-80.8-20.7177.800000113.9
117M32.6Very low31.2Very low137 Ų137146.5 Ų146.568%0.67577%0.765SS**SBendtrans-100.8-11.3-172.6-90.2-175.362.400114.9N119 N120M117-N119 PolarHBondContact O-N 3.12Å; M117-N120 PolarHBondContact O-N 3.23Å
118E34.8Very low31.2Very low150 Ų150143.2 Ų143.270%0.70177%0.765SS**THydrogen-bonded Turntrans-68.8-17.9-180-142.1172-172.100112.6
119N31.5Very low31.2Very low151 Ų151140.4 Ų140.481%0.80776%0.76SS**THydrogen-bonded Turntrans-96.45.2180-83.4-27.3000116.6M117M117-N119 PolarHBondContact O-N 3.12Å
120N32.2Very low31.1Very low129 Ų129141.6 Ų141.669%0.6976%0.762SS**SBendtrans-107.30.3172-105.3-25.8000114.6M117 N122M117-N120 PolarHBondContact O-N 3.23Å; N120-N122 PolarHBondContact O-N 2.98Å
121V41.2Very low31.3Very low91 Ų91140.3 Ų140.355%0.55276%0.761SS**THydrogen-bonded Turntrans-68.7-17.4-178.6-176.40000112.7
122N36.2Very low31.2Very low146 Ų146139 Ų13978%0.78176%0.762SS**THydrogen-bonded Turntrans-93.57.6-175.3-66.7-21.1000115.9N120N120-N122 PolarHBondContact O-N 2.98Å
123K34Very low31.1Very low192 Ų192137.3 Ų137.384%0.83576%0.761SS**SBendtrans-122.52.4179.5-90.1-173.4179179.20117.5
124M28.5Very low30.7Very low177 Ų177139.9 Ų139.987%0.87277%0.765SS**SBendtrans-127.16.5174.9-88.317854.400115.6N126M124-N126 PolarHBondContact O-N 3.48Å
125C29.3Very low30.6Very low99 Ų99143.7 Ų143.767%0.66978%0.777SS**  trans-81.992.6163.6-730000109.8
126N29.4Very low30.4Very low163 Ų163145.2 Ų145.287%0.87278%0.781SS**  trans-179.342145.6-89.4-22.1000113.1M124M124-N126 PolarHBondContact O-N 3.48Å
127L26.9Very low30.2Very low174 Ų174144 Ų14491%0.91178%0.777SS**  trans-128.763.9162-88.6154.6000108.5
128S26.3Very low30Very low116 Ų116142.9 Ų142.981%0.81178%0.783SS**  trans-102.195.5160.3-165.30000106.7
129V29.3Very low29.7Very low129 Ų129141.9 Ų141.978%0.78279%0.791SS**  trans-138.7119158.5176.90000106.6T131V129-T131 PolarHBondContact O-N 3.01Å
130D27.5Very low29.8Very low141 Ų141142.9 Ų142.975%0.75479%0.791SS**  trans-45.4125.6175.2-64.4-62.6000112.8
131T30.7Very low29.9Very low131 Ų131142.3 Ų142.380%0.80480%0.797SS**  trans-122.890.5148.548.10000108.1V129 C133V129-T131 PolarHBondContact O-N 3.01Å; T131-C133 PolarHBondContact O-N 3.13Å; T131-C133 VanDerWaalsContact O-N 3.12Å
132E25Very low29.6Very low171 Ų171144.3 Ų144.380%0.79981%0.809SS**  trans-55.7103.7156.7-76.8-179.6137.700109.1
133C27.8Very low29.5Very low112 Ų112142.4 Ų142.476%0.75781%0.807SS**  trans-103.493.9161.5-85.50000108.5T131 L135T131-C133 PolarHBondContact O-N 3.13Å; T131-C133 VanDerWaalsContact O-N 3.12Å; C133-L135 PolarHBondContact O-N 2.99Å; C133-L135 VanDerWaalsContact O-N 3.11Å
134H22.3Very low30Very low170 Ų170142.7 Ų142.779%0.78781%0.808SS**  trans-55.2104.3163.3-97.6-85.2000110.4
135L32Very low30.3Very low168 Ų168143 Ų14388%0.8881%0.813SS**  trans-123.3100.4161.7-85165.3000110.1C133 G137C133-L135 PolarHBondContact O-N 2.99Å; C133-L135 VanDerWaalsContact O-N 3.11Å; L135-G137 PolarHBondContact O-N 3.02Å
136K26.6Very low30.6Very low213 Ų213146.9 Ų146.993%0.92682%0.818SS**  trans-74.7100.3176.1-163.6174.7-174.51800107.8
137G29.7Very low30.8Very low63 Ų63145.2 Ų145.265%0.64981%0.814SS**  trans-143.4102.5177.800000110.6L135 C139L135-G137 PolarHBondContact O-N 3.02Å; G137-C139 PolarHBondContact O-N 3.03Å
138S28.1Very low31.4Very low114 Ų114143.6 Ų143.680%0.79781%0.812SS**  trans-64.3108.4175.6170.20000110.1Q140S138-Q140 PolarHBondContact O-N 3.12Å
139C29.8Very low31.9Very low129 Ų129144 Ų14487%0.87281%0.805SS**  trans-84.698.8166.4-71.40000108.4G137 S141G137-C139 PolarHBondContact O-N 3.03Å; C139-S141 PolarHBondContact O-N 3.19Å
140Q33Very low32.6Very low173 Ų173145.6 Ų145.681%0.80880%0.803SS**  trans-62.4124.6164.2-82.3175.2-11.900108.8S138 V142S138-Q140 PolarHBondContact O-N 3.12Å; Q140-V142 PolarHBondContact O-N 3.24Å
141S33.6Very low33Very low116 Ų116146 Ų14681%0.81181%0.805SS**  trans-60.4121.8174.540.90000110.4C139 S143C139-S141 PolarHBondContact O-N 3.19Å; S141-S143 PolarHBondContact O-N 3.25Å
142V35Very low33.5Very low134 Ų134145.3 Ų145.381%0.81280%0.803SS**  trans-71.2110.1175-167.20000107.5Q140 F144Q140-V142 PolarHBondContact O-N 3.24Å; V142-F144 PolarHBondContact O-N 3.47Å
143S34.6Very low34Very low106 Ų106146 Ų14674%0.74181%0.806SS**  trans-66.7126.8177.262.20000110.4S141 L145S141-S143 PolarHBondContact O-N 3.25Å; S143-L145 PolarHBondContact O-N 3.25Å
144F44.7Very low34.3Very low197 Ų197149.2 Ų149.286%0.86481%0.81SS**  trans-59.1131.6169.1-67.6-86.6000110.5V142 K146V142-F144 PolarHBondContact O-N 3.47Å; F144-K146 PolarHBondContact O-N 3.07Å
145L35.7Very low35.1Very low183 Ų183147 Ų14796%0.95881%0.811SS**  trans-50.7107.1172.4-81.7136.7000109.8S143S143-L145 PolarHBondContact O-N 3.25Å
146K33.9Very low35.3Very low181 Ų181147 Ų14779%0.78781%0.81SS**  trans-88.5116.7177.8-164.5172.2-179.81770107.9F144F144-K146 PolarHBondContact O-N 3.07Å
147T33.8Very low35.5Very low129 Ų129142.4 Ų142.479%0.79180%0.803SS**  trans-71131.6172.345.40000109.9D149T147-D149 PolarHBondContact O-N 3.38Å; T147-D149 VanDerWaalsContact O-N 3.1Å
148T40.5Very low35.6Very low140 Ų140145.2 Ų145.286%0.85981%0.812SS**SBendtrans-80.579.5-172.9-45.30000111.1
149D37.4Very low35.7Very low125 Ų125146.1 Ų146.167%0.66882%0.817SS**  trans175.2102.8159.4-114.4-29.7000104.2T147T147-D149 PolarHBondContact O-N 3.38Å; T147-D149 VanDerWaalsContact O-N 3.1Å
150H42.7Very low35.6Very low161 Ų161142.6 Ų142.675%0.74580%0.803SS**  cis-151.5126.448.2-48.7-71.4000106.6P152H150-P152 WeakPolarHBondContact O-CD 3.11Å
151L37Very low35.9Very low149 Ų149140.1 Ų140.178%0.7880%0.802SS**  trans-70.7125.3169.4-69.6174.5000107.8Q153L151-Q153 PolarHBondContact O-N 2.84Å
152P40.1Very low36Very low118 Ų118141.5 Ų141.577%0.76681%0.805SS**  trans-62.8112.7164.524.3-28.9000107.4H150 Q154H150-P152 WeakPolarHBondContact O-CD 3.11Å; P152-Q154 PolarHBondContact O-N 3.35Å
153Q35.1Very low35.6Very low184 Ų184144.6 Ų144.686%0.8680%0.803SS**PPolyproline II helixtrans-57.1122.5170-75.3-176.2-7.500107.8L151L151-Q153 PolarHBondContact O-N 2.84Å
154Q35Very low35.1Very low180 Ų180144.5 Ų144.584%0.84180%0.803SS**PPolyproline II helixtrans-57.4131.2167.9-84.2-168.8-41.700108.5P152 L156P152-Q154 PolarHBondContact O-N 3.35Å; Q154-L156 PolarHBondContact O-N 3.1Å; Q154-L156 VanDerWaalsContact O-N 3.14Å
155P38.3Very low34.2Very low125 Ų125139.3 Ų139.381%0.81279%0.791SS**PPolyproline II helixtrans-57.8120.2172.1-21.231.8000109.3
156L37.4Very low33.7Very low166 Ų166139.3 Ų139.387%0.86978%0.783SS**PPolyproline II helixtrans-54.1135.6170.9-79.5149.8000109Q154 S158Q154-L156 PolarHBondContact O-N 3.1Å; Q154-L156 VanDerWaalsContact O-N 3.14Å; L156-S158 PolarHBondContact O-N 3.04Å
157P31.3Very low33.6Very low118 Ų118138.4 Ų138.477%0.76679%0.787SS**PPolyproline II helixtrans-63.3131.1-172.423.4-31.6000111.6C159P157-C159 PolarHBondContact O-N 2.88Å; P157-C159 VanDerWaalsContact O-N 3.11Å
158S29.9Very low33Very low121 Ų121138.2 Ų138.285%0.84679%0.79SS**  trans-41.2105.6167.8-179.20000112.8L156L156-S158 PolarHBondContact O-N 3.04Å
159C31.8Very low32.6Very low133 Ų133137.4 Ų137.490%0.89979%0.787SS**  trans-94.9109.5143.9-88.60000104.6P157P157-C159 PolarHBondContact O-N 2.88Å; P157-C159 VanDerWaalsContact O-N 3.11Å
160G26.2Very low32.1Very low56 Ų56136.1 Ų136.158%0.57779%0.788SS**  112.6125.255.500000107
161P39.2Very low31.5Very low120 Ų120135.9 Ų135.978%0.77979%0.792SS**  trans-88130.7-161.633.7-32.3000112
162V36.1Very low31.2Very low145 Ų145133 Ų13388%0.87979%0.789SS**  trans-11989.3163.7-173.20000108.9
163Y27.9Very low30.6Very low199 Ų199136.6 Ų136.678%0.7879%0.793SS**  trans14.6126.5139-89.5-91.6000118.9
164S23.1Very low30.2Very low104 Ų104133 Ų13373%0.72779%0.788SS**  83.1115.8126.3-84.10000121.1
165S25.9Very low30.2Very low89 Ų89129.7 Ų129.762%0.62279%0.785SS**  89111.8115.7-174.50000117.9
166K26.1Very low29.8Very low183 Ų183128.8 Ų128.880%0.79678%0.781SS**  trans54.9103139-62.7177179.9-179.50115.5
167N30.9Very low29.6Very low162 Ų162127.1 Ų127.187%0.86677%0.773SS**  trans-151.697.1136.4-84.4-39.7000108.5
168C21.2Very low29.8Very low125 Ų125129.5 Ų129.585%0.84577%0.774SS**  trans-73.6134.6146.2-620000107.2
169P31.7Very low30.1Very low122 Ų122131.3 Ų131.379%0.79277%0.774SS**  trans-108.9107.314124.4-9.1000107.6
170S27Very low30.5Very low99 Ų99130.2 Ų130.269%0.69277%0.766SS**  trans-56125.7145.741.40000108.5
171D30.7Very low30.9Very low155 Ų155139.1 Ų139.183%0.82978%0.782SS**  -177.2120129.6-88.6-27.1000112.7
172A29.9Very low30.6Very low88 Ų88141.9 Ų141.973%0.72779%0.785SS**  trans65.5119.2131.200000121.9
173K27.8Very low30.8Very low194 Ų194142.2 Ų142.284%0.84378%0.78SS**  trans90.8102.8136.9-77-175.7174.3-177.50120.5
174S26.4Very low31.4Very low109 Ų109138 Ų13876%0.76278%0.778SS**  54.5108.6120.777.10000120.4
175S35Very low31.9Very low110 Ų110138.3 Ų138.377%0.76978%0.775SS**  -160101.4124.460.40000105.5
176S30.1Very low32.4Very low106 Ų106143.7 Ų143.774%0.74178%0.783SS**  12.791.793.2-1700000111.9
177D34.3Very low32.8Very low131 Ų131139 Ų13970%0.70177%0.774SS**  179139.6119.2-84.9-11.7000109.7
178Q35.6Very low32.9Very low169 Ų169141.1 Ų141.179%0.7978%0.776SS**  trans77.670172.1-44.7-61.2-55.100115.4
179D34.3Very low33.6Very low158 Ų158140.2 Ų140.285%0.84577%0.766SS**  trans-51.8126.7141.8-94.8-41.6000107.9R181D179-R181 PolarHBondContact O-N 2.84Å
180P41.4Very low33.8Very low110 Ų110142.3 Ų142.371%0.71477%0.765SS**  trans-61.4126.3178.524.1-30.6000108.1E182P180-E182 PolarHBondContact O-N 2.89Å
181R33.9Very low34.2Very low243 Ų243143.8 Ų143.892%0.91778%0.776SS**  trans-37.5114.6173.1-87-152.5-100.1-176.4-8.5110D179 L183D179-R181 PolarHBondContact O-N 2.84Å; R181-L183 PolarHBondContact O-N 3.19Å
182E33.9Very low34.6Very low179 Ų179144.8 Ų144.884%0.83678%0.775SS**  trans-55.3110.4167.6-65.6-171.6168.500107.6P180P180-E182 PolarHBondContact O-N 2.89Å
183L40.1Very low35Very low151 Ų151145.1 Ų145.179%0.79177%0.772SS**  trans-61.4147.8161.8-75.9164.8000107.5R181 T185R181-L183 PolarHBondContact O-N 3.19Å; L183-T185 PolarHBondContact O-N 2.83Å
184P39.7Very low35.6Very low112 Ų112144 Ų14473%0.72778%0.775SS**  trans-51.2112-176-23.831.9000110.5Y186P184-Y186 VanDerWaalsContact C-N 3.28Å; P184-Y186 PolarHBondContact O-N 3.05Å
185T33.2Very low36.1Very low110 Ų110142.3 Ų142.368%0.67576%0.763SS**  trans-6097168.2-55.70000106.5L183 S187L183-T185 PolarHBondContact O-N 2.83Å; T185-S187 VanDerWaalsContact C-N 3.3Å; T185-S187 PolarHBondContact O-N 3.01Å
186Y37.6Very low36.2Very low201 Ų201144.4 Ų144.479%0.78876%0.764SS**  trans-63104.4159.9-107-88.8000105.4P184 F188P184-Y186 VanDerWaalsContact C-N 3.28Å; P184-Y186 PolarHBondContact O-N 3.05Å; Y186-F188 VanDerWaalsContact C-N 3.28Å; Y186-F188 PolarHBondContact O-N 2.95Å
187S35.2Very low36.8Very low86 Ų86143.8 Ų143.860%0.60176%0.76SS**  trans-53.499.5164-57.70000107.3T185 T189T185-S187 VanDerWaalsContact C-N 3.3Å; T185-S187 PolarHBondContact O-N 3.01Å; S187-T189 PolarHBondContact O-N 2.85Å
188F33.1Very low37.2Very low205 Ų205143 Ų14390%0.89977%0.765SS**  trans-71.765.2163.7-107.6-89.4000107.4Y186 H190Y186-F188 VanDerWaalsContact C-N 3.28Å; Y186-F188 PolarHBondContact O-N 2.95Å; F188-H190 PolarHBondContact O-N 3.25Å
189T34.5Very low37.4Very low106 Ų106141.6 Ų141.665%0.6576%0.762SS**  trans-84.2102.5168.146.10000107.7S187S187-T189 PolarHBondContact O-N 2.85Å
190H35.9Very low37.8Very low167 Ų167139.7 Ų139.777%0.77376%0.756SS**  trans51.9117.3149.2-59.4-73.1000118.2F188 E192F188-H190 PolarHBondContact O-N 3.25Å; H190-E192 VanDerWaalsContact C-N 3.26Å; H190-E192 PolarHBondContact O-N 3.33Å
191S35.9Very low37.6Very low130 Ų130141.8 Ų141.891%0.90976%0.761SS**  trans-34.685.4150.2-47.40000112.4S193S191-S193 VanDerWaalsContact C-N 3.34Å; S191-S193 PolarHBondContact O-N 3.28Å; S191-S193 VanDerWaalsContact O-N 3.09Å
192E38.3Very low37.7Very low176 Ų176138.2 Ų138.282%0.82276%0.76SS**  trans-67104153.6-77.6-177.1167.900105.6H190 L194H190-E192 VanDerWaalsContact C-N 3.26Å; H190-E192 PolarHBondContact O-N 3.33Å; E192-L194 PolarHBondContact O-N 3.17Å
193S39.5Very low37.8Very low95 Ų95134.7 Ų134.766%0.66476%0.755SS**  trans-39.2110163.948.30000109.7S191 S195S191-S193 VanDerWaalsContact C-N 3.34Å; S191-S193 PolarHBondContact O-N 3.28Å; S191-S193 VanDerWaalsContact O-N 3.09Å; S193-S195 PolarHBondContact O-N 2.74Å
194L40.8Very low37.7Very low170 Ų170132.8 Ų132.889%0.8975%0.753SS**  trans-64.183.8164.3-66.4174.3000107.2E192 L196E192-L194 PolarHBondContact O-N 3.17Å; L194-L196 PolarHBondContact O-N 2.96Å
195S35.5Very low37.5Very low74 Ų74135 Ų13552%0.51776%0.758SS.*  trans-69.1120.6176.6-680000108.6S193 S197S193-S195 PolarHBondContact O-N 2.74Å; S195-S197 PolarHBondContact O-N 3.43Å
196L38.7Very low37.7Very low153 Ų153137.8 Ų137.880%0.80177%0.769SS**G310 helixtrans-68.614.8179.3-67.1170.7000114.2L194 S198L194-L196 PolarHBondContact O-N 2.96Å; L196-S198 PolarHBondContact O-N 3.23Å
197S40.7Very low37.7Very low94 Ų94132.6 Ų132.666%0.65776%0.762SS**G310 helixtrans-76.3-5.7-177.4-45.30000113.7S195 L199S195-S197 PolarHBondContact O-N 3.43Å; S197-L199 VanDerWaalsContact C-N 3.28Å; S197-L199 PolarHBondContact O-N 3.03Å
198S42.9Very low37.6Very low113 Ų113135.7 Ų135.779%0.7977%0.771SS**G310 helixtrans-81.73.1-179.3-43.90000114.6L196L196-S198 PolarHBondContact O-N 3.23Å
199L41.6Very low37.7Very low140 Ų140132.7 Ų132.773%0.73377%0.77SS**G310 helixtrans-105.210.4-173.3-74.5174000115.4S197S197-L199 VanDerWaalsContact C-N 3.28Å; S197-L199 PolarHBondContact O-N 3.03Å
200T41.2Very low37.7Very low118 Ų118133.6 Ų133.672%0.72478%0.776SS**  trans-111.97-172.840.10000117.6L202T200-L202 PolarHBondContact O-N 3.01Å; T200-L202 VanDerWaalsContact O-N 3.17Å
201D37.5Very low37.7Very low154 Ų154130.7 Ų130.782%0.82477%0.774SS**  trans-89.176.7173.5-73.9-19.7000111.9
202L36.1Very low37.6Very low168 Ų168133.7 Ų133.788%0.8877%0.771SS**  trans-114.738.4172.3-70.1177.3000112.6T200T200-L202 PolarHBondContact O-N 3.01Å; T200-L202 VanDerWaalsContact O-N 3.17Å
203S36.4Very low37.4Very low105 Ų105131 Ų13173%0.73477%0.77SS**  trans-98.87-179.860.30000115.4
204C37.7Very low37.1Very low111 Ų111133.9 Ų133.975%0.7578%0.779SS**  trans-132.151.3-170.8-57.90000114.4
205L36.1Very low37.4Very low160 Ų160131.1 Ų131.184%0.83877%0.771SS**  trans-129.693166.9-127.978.8000111S207L205-S207 PolarHBondContact O-N 3.32Å
206D36.2Very low37.4Very low168 Ų168130.3 Ų130.390%0.89877%0.774SS**  trans-66.6126173.6-148.30.1000109.2
207S38.9Very low37.5Very low91 Ų91130.8 Ų130.864%0.63678%0.777SS**SBendtrans-79.3120.5179-57.20000107.6L205L205-S207 PolarHBondContact O-N 3.32Å
208N32.6Very low37.6Very low151 Ų151130.3 Ų130.381%0.80778%0.78SS**  trans154.244.1146.8-72.8-20.9000116.2
209T36Very low37.7Very low142 Ų142131.3 Ų131.387%0.87178%0.781SS**  trans-126.277.4161.142.70000111.7S211T209-S211 PolarHBondContact O-N 3.4Å
210T33.1Very low38.1Very low126 Ų126131.1 Ų131.177%0.77378%0.78SS**  trans-56.7106.1159.445.60000110.8
211S36Very low38.2Very low105 Ų105131.6 Ų131.673%0.73478%0.778SS**  trans-130.698.9160.5172.20000108.4T209 C213T209-S211 PolarHBondContact O-N 3.4Å; S211-C213 PolarHBondContact O-N 3.36Å
212F33.6Very low38.8Very low193 Ų193132.5 Ų132.585%0.84678%0.775SS**PPolyproline II helixtrans-58.9123.1174.7-78.5-103.2000111.2
213C35.4Very low39.3Very low120 Ų120129.4 Ų129.481%0.81177%0.767SS**PPolyproline II helixtrans-101.2123.8165.8-73.50000109.7S211S211-C213 PolarHBondContact O-N 3.36Å
214N32.9Very low39.7Very low156 Ų156132 Ų13283%0.83477%0.768SS**PPolyproline II helixtrans-60.3142.8178.6-89-46.7000112.3G216N214-G216 VanDerWaalsContact C-N 3.32Å; N214-G216 PolarHBondContact O-N 2.95Å
215P47.2Very low40Very low111 Ų111131.5 Ų131.572%0.72176%0.764SS**SBendtrans-88.859.3-170.337-35.5000112.6
216G35.4Very low40.8Very low58 Ų58129.5 Ų129.560%0.59876%0.758SS**SBendtrans-99.2-47.1-178.200000115.7N214N214-G216 VanDerWaalsContact C-N 3.32Å; N214-G216 PolarHBondContact O-N 2.95Å
217D40.1Very low41.6Very low162 Ų162128.8 Ų128.887%0.86675%0.747SS**SBendtrans-143.927.3-161.9-75.6-46000114.8T219D217-T219 PolarHBondContact O-N 2.96Å
218A43.9Very low42.3Very low85 Ų85130.9 Ų130.970%0.70275%0.751SS**  trans-93.491.7-18000000111.3L220A218-L220 PolarHBondContact O-N 2.9Å
219T44.1Very low44Very low134 Ų134127.7 Ų127.782%0.82274%0.737SS**  trans-38.9106.2151.2-44.40000108.3D217 N221D217-T219 PolarHBondContact O-N 2.96Å; T219-N221 PolarHBondContact O-N 3.46Å
220L49.4Very low45.8Very low135 Ų135126.3 Ų126.371%0.70773%0.728SS**  trans-63.995.6-174.3-72.6170.8000109.3A218 F222A218-L220 PolarHBondContact O-N 2.9Å; L220-F222 HydrophobicContact CB-CE2 4.4Å; L220-F222 HydrophobicContact CB-CZ 4.4Å; L220-F222 WeakPolarHBondContact O-CD2 3.28Å; L220-F222 PolarHBondContact O-N 3.5Å
221N44.9Very low48Very low129 Ų129128 Ų12869%0.6973%0.725SS**  trans-85.8100.2176.7-150.4-18.4000107.3T219 S223T219-N221 PolarHBondContact O-N 3.46Å; N221-S223 PolarHBondContact O-N 3.07Å
222F49.9Very low50.2Low172 Ų172125.2 Ų125.275%0.75471%0.708SS**THydrogen-bonded Turntrans-66.42.2-175.9-67.6-81.2000114.3L220 Q224L220-F222 HydrophobicContact CB-CE2 4.4Å; L220-F222 HydrophobicContact CB-CZ 4.4Å; L220-F222 WeakPolarHBondContact O-CD2 3.28Å; L220-F222 PolarHBondContact O-N 3.5Å; F222-Q224 VanDerWaalsContact C-N 3.35Å; F222-Q224 PolarHBondContact O-N 3.3Å
223S46.8Very low52.6Low103 Ų103120.1 Ų120.172%0.7269%0.69SS**THydrogen-bonded Turntrans-83.5-0.6-175.1-540000114.9N221N221-S223 PolarHBondContact O-N 3.07Å
224Q43.9Very low55.1Low159 Ų159120.7 Ų120.774%0.74368%0.68SS**SBendtrans-136.4133.8171.8-82-179-10.300112.1F222 V226F222-Q224 VanDerWaalsContact C-N 3.35Å; F222-Q224 PolarHBondContact O-N 3.3Å; Q224-V226 PolarHBondContact O-N 2.94Å; Q224-V226 VanDerWaalsContact O-N 3.08Å
225P44.5Very low57.6Low102 Ų102119 Ų11966%0.66267%0.667SS**  trans-70.5105.5177.327.5-31.7000109.6F227P225-F227 HydrophobicContact CB-CD2 4.44Å; P225-F227 HydrophobicContact CB-CE2 3.95Å; P225-F227 HydrophobicContact CB-CZ 4.49Å; P225-F227 HydrophobicContact CG-CE2 3.9Å; P225-F227 VanDerWaalsContact O-CD2 3.24Å; P225-F227 WeakPolarHBondContact O-CD2 3.47Å; P225-F227 PolarHBondContact O-N 3.34Å
226V53Low59.5Low117 Ų117118.8 Ų118.871%0.70966%0.657SS**  trans-80101.5176.1-178.80000108.8Q224 N228Q224-V226 PolarHBondContact O-N 2.94Å; Q224-V226 VanDerWaalsContact O-N 3.08Å; V226-N228 PolarHBondContact O-N 2.87Å; V226-N228 VanDerWaalsContact O-N 3.08Å
227F52.1Low62.1Low153 Ų153121.6 Ų121.667%0.67166%0.657SS**SBendtrans-74.690.7176.4-73.4-88.3000110.7P225P225-F227 HydrophobicContact CB-CD2 4.44Å; P225-F227 HydrophobicContact CB-CE2 3.95Å; P225-F227 HydrophobicContact CB-CZ 4.49Å; P225-F227 HydrophobicContact CG-CE2 3.9Å; P225-F227 VanDerWaalsContact O-CD2 3.24Å; P225-F227 WeakPolarHBondContact O-CD2 3.47Å; P225-F227 PolarHBondContact O-N 3.34Å
228N53.5Low64.4Low136 Ų136120.5 Ų120.573%0.72764%0.644SS**  trans-170.167.6155.1-82-35.3000107.6V226 A232V226-N228 PolarHBondContact O-N 2.87Å; V226-N228 VanDerWaalsContact O-N 3.08Å; N228-A232 WeakPolarHBondContact O-CB 3.45Å
229T68.1Low66.7Low84 Ų84119.5 Ų119.552%0.51563%0.632SS.*Hα-helixtrans-73.5-36.9-150.653.40000114.4L233T229-L233 WeakPolarHBondContact O-CB 3.47Å; T229-L233 VanDerWaalsContact O-CD1 3.32Å; T229-L233 WeakPolarHBondContact O-CD1 3.25Å; T229-L233 WeakPolarHBondContact O-CG 3.35Å; T229-L233 PolarHBondContact O-N 3Å
230T74.3Confident68.8Low112 Ų112118.3 Ų118.369%0.68762%0.62SS**Hα-helixtrans-69.8-46.5-170.670000113.8L233 E234T230-L233 PolarHBondContact O-N 3.07Å; T230-E234 WeakPolarHBondContact O-CB 3.36Å; T230-E234 PolarHBondContact O-N 2.97Å
231K79.5Confident70.7Confident163 Ų163114.8 Ų114.871%0.70961%0.607SS**Hα-helixtrans-71.8-36.9179.1-74.8-171.1179.4-178.80112.3E234 Q235K231-E234 PolarHBondContact O-N 2.85Å; K231-Q235 WeakPolarHBondContact O-CB 3.44Å; K231-Q235 WeakPolarHBondContact O-CG 3.48Å; K231-Q235 PolarHBondContact O-N 3.17Å
232A81.1Confident72.6Confident46 Ų46115.8 Ų115.838%0.3860%0.601SS.*Hα-helixtrans-63.2-46.2174.300000110.6N228 E234 Q235 E236N228-A232 WeakPolarHBondContact O-CB 3.45Å; A232-E234 PolarHBondContact O-N 3.35Å; A232-Q235 PolarHBondContact O-N 3.12Å; A232-E236 WeakPolarHBondContact O-CB 3.15Å; A232-E236 PolarHBondContact O-N 3.29Å
233L85.5Confident74.3Confident86 Ų86114.8 Ų114.845%0.4560%0.596SS.*Hα-helixtrans-63.1-41.6175.1-73.1169.3000111.9T229 T230 Q235 E236 I237T229-L233 WeakPolarHBondContact O-CB 3.47Å; T229-L233 VanDerWaalsContact O-CD1 3.32Å; T229-L233 WeakPolarHBondContact O-CD1 3.25Å; T229-L233 WeakPolarHBondContact O-CG 3.35Å; T229-L233 PolarHBondContact O-N 3Å; T230-L233 PolarHBondContact O-N 3.07Å; L233-Q235 VanDerWaalsContact C-N 3.35Å; L233-Q235 PolarHBondContact O-N 3.2Å; L233-E236 PolarHBondContact O-N 2.89Å; L233-I237 WeakPolarHBondContact O-CB 3.33Å; L233-I237 WeakPolarHBondContact O-CG1 3.17Å; L233-I237 PolarHBondContact O-N 3.22Å
234E86.5Confident75.9Confident131 Ų131114 Ų11461%0.61259%0.587SS**Hα-helixtrans-62.6-42.7176.6-172.2-175175.100111.5T230 K231 A232 K238T230-E234 WeakPolarHBondContact O-CB 3.36Å; T230-E234 PolarHBondContact O-N 2.97Å; K231-E234 PolarHBondContact O-N 2.85Å; A232-E234 PolarHBondContact O-N 3.35Å; E234-K238 VanDerWaalsContact O-CB 3.25Å; E234-K238 WeakPolarHBondContact O-CB 3.48Å; E234-K238 PolarHBondContact O-N 3.12Å
235Q85Confident77.6Confident122 Ų122110.7 Ų110.757%0.5758%0.575SS**Hα-helixtrans-65-39.4174.3-75.8-177.3-10.100112.1K231 A232 L233 K238 S239K231-Q235 WeakPolarHBondContact O-CB 3.44Å; K231-Q235 WeakPolarHBondContact O-CG 3.48Å; K231-Q235 PolarHBondContact O-N 3.17Å; A232-Q235 PolarHBondContact O-N 3.12Å; L233-Q235 VanDerWaalsContact C-N 3.35Å; L233-Q235 PolarHBondContact O-N 3.2Å; Q235-K238 PolarHBondContact O-N 2.86Å; Q235-S239 WeakPolarHBondContact O-CB 3.31Å; Q235-S239 PolarHBondContact O-N 3.25Å
236E87.8Confident79Confident105 Ų105110.6 Ų110.649%0.49157%0.568SS.*Hα-helixtrans-64.9-47176.3-171.3176.9-177.700111.3A232 L233 K238 S239 L240A232-E236 WeakPolarHBondContact O-CB 3.15Å; A232-E236 PolarHBondContact O-N 3.29Å; L233-E236 PolarHBondContact O-N 2.89Å; E236-K238 VanDerWaalsContact C-N 3.33Å; E236-K238 PolarHBondContact O-N 3.28Å; E236-S239 WeakPolarHBondContact O-CB 3.37Å; E236-S239 PolarHBondContact O-N 3.16Å; E236-S239 VanDerWaalsContact O-N 3.17Å; E236-L240 WeakPolarHBondContact O-CB 3.35Å; E236-L240 PolarHBondContact O-N 3.49Å
237I89.4Confident79.5Confident118 Ų118108 Ų10861%0.60556%0.559SS**Hα-helixtrans-59.7-45.3175-69.5165000110.1L233 S239 L240 S241L233-I237 WeakPolarHBondContact O-CB 3.33Å; L233-I237 WeakPolarHBondContact O-CG1 3.17Å; L233-I237 PolarHBondContact O-N 3.22Å; I237-S239 VanDerWaalsContact C-N 3.33Å; I237-S239 PolarHBondContact O-N 3.43Å; I237-L240 PolarHBondContact O-N 3.1Å; I237-S241 WeakPolarHBondContact O-CB 3.43Å; I237-S241 PolarHBondContact O-N 3.47Å
238K90Very high80Confident138 Ų138105 Ų10560%0.656%0.558SS**Hα-helixtrans-68.2-31.8178.1-169.5173.8-177.21740112.5E234 Q235 E236 R242E234-K238 VanDerWaalsContact O-CB 3.25Å; E234-K238 WeakPolarHBondContact O-CB 3.48Å; E234-K238 PolarHBondContact O-N 3.12Å; Q235-K238 PolarHBondContact O-N 2.86Å; E236-K238 VanDerWaalsContact C-N 3.33Å; E236-K238 PolarHBondContact O-N 3.28Å; K238-R242 WeakPolarHBondContact O-CB 3.46Å; K238-R242 WeakPolarHBondContact O-CG 3.29Å; K238-R242 PolarHBondContact O-N 2.95Å; K238-R242 PolarHBondContact O-NE 2.74Å
239S91Very high80.2Confident65 Ų65107 Ų10746%0.45556%0.559SS.*Hα-helixtrans-70.3-48.4174.6-169.50000110.9Q235 E236 I237 R242 K243Q235-S239 WeakPolarHBondContact O-CB 3.31Å; Q235-S239 PolarHBondContact O-N 3.25Å; E236-S239 WeakPolarHBondContact O-CB 3.37Å; E236-S239 PolarHBondContact O-N 3.16Å; E236-S239 VanDerWaalsContact O-N 3.17Å; I237-S239 VanDerWaalsContact C-N 3.33Å; I237-S239 PolarHBondContact O-N 3.43Å; S239-R242 PolarHBondContact O-N 3.38Å; S239-K243 PolarHBondContact O-N 3.09Å
240L88.7Confident79.6Confident109 Ų109109.3 Ų109.357%0.57157%0.565SS**Hα-helixtrans-64.9-42.1178.7-168.865.1000111.4E236 I237 R242 K243 V244E236-L240 WeakPolarHBondContact O-CB 3.35Å; E236-L240 PolarHBondContact O-N 3.49Å; I237-L240 PolarHBondContact O-N 3.1Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 2.98Å; L240-K243 PolarHBondContact O-N 2.7Å; L240-K243 VanDerWaalsContact O-N 3.11Å; L240-V244 WeakPolarHBondContact O-CG2 3.33Å; L240-V244 PolarHBondContact O-N 3.45Å
241S89.3Confident78.7Confident61 Ų61112 Ų11243%0.42757%0.569SS.*Hα-helixtrans-60.9-41.4174.9-1760000111.8I237 N245I237-S241 WeakPolarHBondContact O-CB 3.43Å; I237-S241 PolarHBondContact O-N 3.47Å; S241-N245 WeakPolarHBondContact O-CB 3.42Å; S241-N245 PolarHBondContact O-N 3.06Å; S241-N245 PolarHBondContact O-ND2 3.48Å
242R85.5Confident77.9Confident149 Ų149114 Ų11456%0.56257%0.574SS**Hα-helixtrans-63.9-41.8171.4-81.8-173.6-69.8171.30.6112.3K238 S239 L240 N245 N246K238-R242 WeakPolarHBondContact O-CB 3.46Å; K238-R242 WeakPolarHBondContact O-CG 3.29Å; K238-R242 PolarHBondContact O-N 2.95Å; K238-R242 PolarHBondContact O-NE 2.74Å; S239-R242 PolarHBondContact O-N 3.38Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 2.98Å; R242-N245 PolarHBondContact O-N 3.36Å; R242-N246 WeakPolarHBondContact O-CB 3.38Å; R242-N246 PolarHBondContact O-N 2.96Å; R242-N246 PolarHBondContact O-ND2 3.37Å
243K85.5Confident77.2Confident151 Ų151114.3 Ų114.366%0.65757%0.571SS**Hα-helixtrans-63.2-42.4178.9-166.4174.8-178.1-178.80111.7S239 L240 N246 A247S239-K243 PolarHBondContact O-N 3.09Å; L240-K243 PolarHBondContact O-N 2.7Å; L240-K243 VanDerWaalsContact O-N 3.11Å; K243-N246 PolarHBondContact O-N 3.11Å; K243-A247 WeakPolarHBondContact O-CB 3.36Å; K243-A247 PolarHBondContact O-N 3.46Å
244V80Confident76.6Confident86 Ų86115.6 Ų115.652%0.52158%0.578SS.*Hα-helixtrans-66.5-43.2176.4173.20000111.5L240 N246 A247 S248L240-V244 WeakPolarHBondContact O-CG2 3.33Å; L240-V244 PolarHBondContact O-N 3.45Å; V244-N246 VanDerWaalsContact C-N 3.28Å; V244-N246 PolarHBondContact O-N 3.01Å; V244-A247 PolarHBondContact O-N 2.9Å; V244-S248 PolarHBondContact O-N 3.3Å
245N79.9Confident76.3Confident91 Ų91116.3 Ų116.349%0.48758%0.581SS.*Hα-helixtrans-69.7-24.6177.9-70.1-20.2000113.6S241 R242 S248S241-N245 WeakPolarHBondContact O-CB 3.42Å; S241-N245 PolarHBondContact O-N 3.06Å; S241-N245 PolarHBondContact O-ND2 3.48Å; R242-N245 PolarHBondContact O-N 3.36Å; N245-S248 PolarHBondContact O-OG 2.92Å
246N73.2Confident76.1Confident99 Ų99115.2 Ų115.253%0.52958%0.579SS.*Hα-helixtrans-83.6-39.3172.9-70.1-10.2000111.2R242 K243 V244 S248 K249 E250R242-N246 WeakPolarHBondContact O-CB 3.38Å; R242-N246 PolarHBondContact O-N 2.96Å; R242-N246 PolarHBondContact O-ND2 3.37Å; K243-N246 PolarHBondContact O-N 3.11Å; V244-N246 VanDerWaalsContact C-N 3.28Å; V244-N246 PolarHBondContact O-N 3.01Å; N246-S248 PolarHBondContact O-N 3.41Å; N246-K249 CarbonylContact O-C 3.55Å; N246-K249 WeakPolarHBondContact O-CA 3.3Å; N246-K249 PolarHBondContact O-N 2.74Å; N246-E250 PolarHBondContact O-N 3.36Å
247A64Low75.8Confident62 Ų62116.7 Ų116.751%0.51258%0.58SS.*Hα-helixtrans-64.5-25.8174.400000112.6K243 V244 K249K243-A247 WeakPolarHBondContact O-CB 3.36Å; K243-A247 PolarHBondContact O-N 3.46Å; V244-A247 PolarHBondContact O-N 2.9Å; A247-K249 VanDerWaalsContact C-N 3.28Å
248S61.3Low75.6Confident92 Ų92115.6 Ų115.664%0.64357%0.574SS**THydrogen-bonded Turntrans-75.7-15.7170.667.80000113.6V244 N245 N246V244-S248 PolarHBondContact O-N 3.3Å; N245-S248 PolarHBondContact O-OG 2.92Å; N246-S248 PolarHBondContact O-N 3.41Å
249K58.1Low75.3Confident176 Ų176113 Ų11377%0.76557%0.565SS**THydrogen-bonded Turntrans-98.9-30.3175.1-76.1-175.8177.2-178.30113.4N246 A247 H251N246-K249 CarbonylContact O-C 3.55Å; N246-K249 WeakPolarHBondContact O-CA 3.3Å; N246-K249 PolarHBondContact O-N 2.74Å; A247-K249 VanDerWaalsContact C-N 3.28Å; K249-H251 PolarHBondContact O-N 3Å; K249-H251 VanDerWaalsContact O-N 3.08Å
250E55.8Low75.1Confident133 Ų133112.6 Ų112.662%0.62157%0.565SS**SBendtrans-72.796.3164-94.8179155.100107.6N246 Y252N246-E250 PolarHBondContact O-N 3.36Å; E250-Y252 PolarHBondContact O-N 2.8Å
251H55.3Low75Confident170 Ų170111.8 Ų111.879%0.78756%0.558SS**  trans-37.9128.1158.5-92.5-87.9000108.6K249 T253K249-H251 PolarHBondContact O-N 3Å; K249-H251 VanDerWaalsContact O-N 3.08Å; H251-T253 VanDerWaalsContact O-CA 3.32Å; H251-T253 WeakPolarHBondContact O-CA 3.43Å; H251-T253 PolarHBondContact O-N 3.45Å
252Y63.8Low75.1Confident205 Ų205115.3 Ų115.380%0.80456%0.562SS**SBendtrans-28101.1173.7-64.9-85.6000108.7E250 D254E250-Y252 PolarHBondContact O-N 2.8Å; Y252-D254 PolarHBondContact O-N 3.34Å
253T66.7Low75.1Confident51 Ų51111.9 Ų111.931%0.31356%0.558SS.*  trans-55.4138.6-167.333.70000106.9H251 E255 I256H251-T253 VanDerWaalsContact O-CA 3.32Å; H251-T253 WeakPolarHBondContact O-CA 3.43Å; H251-T253 PolarHBondContact O-N 3.45Å; T253-E255 CarbonylContact O-C 3.54Å; T253-E255 PolarHBondContact O-N 2.78Å; T253-I256 PolarHBondContact O-N 3.46Å
254D72.5Confident75.1Confident113 Ų113108.9 Ų108.960%0.60455%0.552SS**Hα-helixtrans-48-25.1179.1-75.1-48.7000111.9Y252 R257 L258Y252-D254 PolarHBondContact O-N 3.34Å; D254-R257 PolarHBondContact O-N 2.82Å; D254-L258 VanDerWaalsContact O-CB 3.3Å; D254-L258 WeakPolarHBondContact O-CB 3.21Å; D254-L258 WeakPolarHBondContact O-CG 3.38Å; D254-L258 PolarHBondContact O-N 2.92Å
255E80.3Confident75.2Confident146 Ų146108.4 Ų108.468%0.68255%0.546SS*.Hα-helixtrans-53.4-48.7168.4-168.1173.4-161.200115.1T253 R257 L258 E259T253-E255 CarbonylContact O-C 3.54Å; T253-E255 PolarHBondContact O-N 2.78Å; E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.41Å; E255-L258 PolarHBondContact O-N 3.44Å; E255-E259 WeakPolarHBondContact O-CB 3.42Å; E255-E259 PolarHBondContact O-N 2.98Å
256I79.4Confident75.3Confident100 Ų100109.4 Ų109.451%0.51355%0.548SS..Hα-helixtrans-64-40.2178.2-62.8174.6000110.1T253 E259 A260T253-I256 PolarHBondContact O-N 3.46Å; I256-E259 PolarHBondContact O-N 2.76Å; I256-A260 WeakPolarHBondContact O-CB 3.36Å; I256-A260 PolarHBondContact O-N 2.98Å
257R82.2Confident75.5Confident136 Ų136107.4 Ų107.451%0.51355%0.546SS..Hα-helixtrans-66.2-45.3178.1-168-172.667.170.83.6110.8D254 E255 E259 A260 E261D254-R257 PolarHBondContact O-N 2.82Å; E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.41Å; R257-E259 VanDerWaalsContact C-N 3.33Å; R257-A260 PolarHBondContact O-N 3.47Å; R257-E261 IonicContact NH1-OE2 3.2Å; R257-E261 PolarHBondContact NH1-OE2 2.86Å; R257-E261 VanDerWaalsContact O-CB 3.31Å; R257-E261 WeakPolarHBondContact O-CB 3.39Å; R257-E261 PolarHBondContact O-N 3.21Å
258L84.6Confident76Confident95 Ų95107.7 Ų107.750%0.49754%0.543SS..Hα-helixtrans-65.1-36.4176.9-73.4169.2000111.8D254 E255 E261 R262D254-L258 VanDerWaalsContact O-CB 3.3Å; D254-L258 WeakPolarHBondContact O-CB 3.21Å; D254-L258 WeakPolarHBondContact O-CG 3.38Å; D254-L258 PolarHBondContact O-N 2.92Å; E255-L258 PolarHBondContact O-N 3.44Å; L258-E261 PolarHBondContact O-N 2.66Å; L258-R262 WeakPolarHBondContact O-CB 3.47Å; L258-R262 PolarHBondContact O-N 3.3Å
259E85.2Confident76.4Confident84 Ų84109.8 Ų109.839%0.39355%0.547SS..Hα-helixtrans-70.9-42.7177.5-177.560-166.800111.6E255 I256 R257 E261 R262 V263E255-E259 WeakPolarHBondContact O-CB 3.42Å; E255-E259 PolarHBondContact O-N 2.98Å; I256-E259 PolarHBondContact O-N 2.76Å; R257-E259 VanDerWaalsContact C-N 3.33Å; E259-E261 VanDerWaalsContact C-N 3.32Å; E259-E261 PolarHBondContact O-N 3.41Å; E259-R262 WeakPolarHBondContact O-CB 3.47Å; E259-R262 PolarHBondContact O-N 2.99Å; E259-R262 IonicContact OE1-CZ 2.7Å; E259-R262 IonicContact OE1-NE 3.38Å; E259-R262 PolarHBondContact OE1-NE 3.5Å; E259-R262 IonicContact OE1-NH2 3.6Å; E259-R262 PolarHBondContact OE1-NH2 2.87Å; E259-R262 IonicContact OE2-CZ 3.33Å; E259-R262 IonicContact OE2-NE 3.11Å; E259-R262 PolarHBondContact OE2-NE 3.2Å; E259-R262 IonicContact OE2-NH2 2.66Å; E259-R262 PolarHBondContact OE2-NH2 3.46Å; E259-V263 WeakPolarHBondContact O-CG2 3.43Å; E259-V263 PolarHBondContact O-N 2.66Å
260A85.4Confident76.7Confident56 Ų56106.4 Ų106.446%0.46354%0.541SS..Hα-helixtrans-61.2-42.4172.300000111.5I256 R257 R262 V263 V264I256-A260 WeakPolarHBondContact O-CB 3.36Å; I256-A260 PolarHBondContact O-N 2.98Å; R257-A260 PolarHBondContact O-N 3.47Å; A260-R262 VanDerWaalsContact C-N 3.35Å; A260-V263 PolarHBondContact O-N 2.97Å; A260-V264 WeakPolarHBondContact O-CG2 3.16Å; A260-V264 PolarHBondContact O-N 3Å; A260-V264 VanDerWaalsContact O-N 3.1Å
261E87.2Confident76.6Confident92 Ų92105.5 Ų105.543%0.4354%0.54SS..Hα-helixtrans-63.3-39.4175.7-170172.8176.900111.6R257 L258 E259 N265R257-E261 IonicContact NH1-OE2 3.2Å; R257-E261 PolarHBondContact NH1-OE2 2.86Å; R257-E261 VanDerWaalsContact O-CB 3.31Å; R257-E261 WeakPolarHBondContact O-CB 3.39Å; R257-E261 PolarHBondContact O-N 3.21Å; L258-E261 PolarHBondContact O-N 2.66Å; E259-E261 VanDerWaalsContact C-N 3.32Å; E259-E261 PolarHBondContact O-N 3.41Å; E261-N265 WeakPolarHBondContact O-CB 3.37Å; E261-N265 VanDerWaalsContact O-CG 3.24Å; E261-N265 PolarHBondContact O-N 3.33Å; E261-N265 PolarHBondContact O-ND2 2.82Å; E261-N265 VanDerWaalsContact O-ND2 3.12Å
262R90.4Very high76.4Confident134 Ų134103.1 Ų103.151%0.50654%0.539SS..Hα-helixtrans-61.2-48.4174.1-173-178.177.31010.5112L258 E259 A260 V264 N265 E266L258-R262 WeakPolarHBondContact O-CB 3.47Å; L258-R262 PolarHBondContact O-N 3.3Å; E259-R262 WeakPolarHBondContact O-CB 3.47Å; E259-R262 PolarHBondContact O-N 2.99Å; E259-R262 IonicContact OE1-CZ 2.7Å; E259-R262 IonicContact OE1-NE 3.38Å; E259-R262 PolarHBondContact OE1-NE 3.5Å; E259-R262 IonicContact OE1-NH2 3.6Å; E259-R262 PolarHBondContact OE1-NH2 2.87Å; E259-R262 IonicContact OE2-CZ 3.33Å; E259-R262 IonicContact OE2-NE 3.11Å; E259-R262 PolarHBondContact OE2-NE 3.2Å; E259-R262 IonicContact OE2-NH2 2.66Å; E259-R262 PolarHBondContact OE2-NH2 3.46Å; A260-R262 VanDerWaalsContact C-N 3.35Å; R262-V264 PolarHBondContact O-N 3.43Å; R262-N265 PolarHBondContact O-N 3.32Å; R262-E266 WeakPolarHBondContact O-CB 3.4Å; R262-E266 PolarHBondContact O-N 3.42Å
263V85.7Confident75.7Confident78 Ų7898.4 Ų98.447%0.47354%0.543SS..Hα-helixtrans-63.2-41.9-178.91720000111.6E259 A260 E266 A267E259-V263 WeakPolarHBondContact O-CG2 3.43Å; E259-V263 PolarHBondContact O-N 2.66Å; A260-V263 PolarHBondContact O-N 2.97Å; V263-E266 PolarHBondContact O-N 2.79Å; V263-A267 WeakPolarHBondContact O-CB 3.46Å; V263-A267 PolarHBondContact O-N 3.11Å
264V86.1Confident74.9Confident87 Ų8799 Ų9953%0.52756%0.56SS.*Hα-helixtrans-65.1-45.5176.51730000110.8A260 R262 E266 A267 C268A260-V264 WeakPolarHBondContact O-CG2 3.16Å; A260-V264 PolarHBondContact O-N 3Å; A260-V264 VanDerWaalsContact O-N 3.1Å; R262-V264 PolarHBondContact O-N 3.43Å; V264-E266 PolarHBondContact O-N 3.17Å; V264-A267 PolarHBondContact O-N 3.21Å; V264-C268 PolarHBondContact O-N 3.48Å; V264-C268 PolarHBondContact O-SG 3.39Å; V264-C268 VanDerWaalsContact O-SG 3.35Å
265N82.6Confident73.7Confident77 Ų77100.6 Ų100.641%0.41257%0.568SS.*Hα-helixtrans-65.3-37.3179.1-74.2-29.9000112.4E261 R262 C268 N269E261-N265 WeakPolarHBondContact O-CB 3.37Å; E261-N265 VanDerWaalsContact O-CG 3.24Å; E261-N265 PolarHBondContact O-N 3.33Å; E261-N265 PolarHBondContact O-ND2 2.82Å; E261-N265 VanDerWaalsContact O-ND2 3.12Å; R262-N265 PolarHBondContact O-N 3.32Å; N265-C268 PolarHBondContact O-N 3.37Å; N265-N269 VanDerWaalsContact O-CB 3.25Å; N265-N269 WeakPolarHBondContact O-CB 3.38Å; N265-N269 PolarHBondContact O-N 2.95Å; N265-N269 PolarHBondContact O-ND2 3.32Å
266E82.6Confident72.1Confident111 Ų111100.5 Ų100.552%0.51957%0.572SS.*Hα-helixtrans-63.7-44.4174-174.8175.8173.600111.8R262 V263 V264 C268 N269 T270R262-E266 WeakPolarHBondContact O-CB 3.4Å; R262-E266 PolarHBondContact O-N 3.42Å; V263-E266 PolarHBondContact O-N 2.79Å; V264-E266 PolarHBondContact O-N 3.17Å; E266-C268 VanDerWaalsContact C-N 3.29Å; E266-C268 PolarHBondContact O-N 2.92Å; E266-N269 PolarHBondContact O-N 2.96Å; E266-T270 WeakPolarHBondContact O-CG2 3.31Å; E266-T270 PolarHBondContact O-N 3.37Å; E266-T270 PolarHBondContact O-OG1 3.02Å
267A76.6Confident70.5Confident58 Ų58100 Ų10048%0.47958%0.577SS.*Hα-helixtrans-63.4-34.3175.500000112.6V263 V264 T270 L271V263-A267 WeakPolarHBondContact O-CB 3.46Å; V263-A267 PolarHBondContact O-N 3.11Å; V264-A267 PolarHBondContact O-N 3.21Å; A267-T270 PolarHBondContact O-OG1 3.47Å; A267-T270 VanDerWaalsContact O-OG1 3.1Å; A267-L271 WeakPolarHBondContact O-CG 3.46Å
268C73.4Confident69Low68 Ų68101.6 Ų101.646%0.45959%0.594SS.*Hα-helixtrans-78.2-36.9176.2-690000113.2V264 N265 E266 T270 L271V264-C268 PolarHBondContact O-N 3.48Å; V264-C268 PolarHBondContact O-SG 3.39Å; V264-C268 VanDerWaalsContact O-SG 3.35Å; N265-C268 PolarHBondContact O-N 3.37Å; E266-C268 VanDerWaalsContact C-N 3.29Å; E266-C268 PolarHBondContact O-N 2.92Å; C268-T270 VanDerWaalsContact C-N 3.35Å; C268-L271 VanDerWaalsContact O-CB 3.28Å; C268-L271 WeakPolarHBondContact O-CB 3.44Å; C268-L271 WeakPolarHBondContact O-CG 3.32Å; C268-L271 PolarHBondContact O-N 3.32Å
269N70Confident66.9Low136 Ų136103 Ų10373%0.72760%0.603SS**Hα-helixtrans-75.9-22-179.1-72.2-32.3000113.3N265 E266 L271N265-N269 VanDerWaalsContact O-CB 3.25Å; N265-N269 WeakPolarHBondContact O-CB 3.38Å; N265-N269 PolarHBondContact O-N 2.95Å; N265-N269 PolarHBondContact O-ND2 3.32Å; E266-N269 PolarHBondContact O-N 2.96Å; N269-L271 PolarHBondContact O-N 3.5Å
270T64Low65Low104 Ų104104.2 Ų104.264%0.63862%0.618SS**THydrogen-bonded Turntrans-76-8.5171.448.70000112.8E266 A267 C268E266-T270 WeakPolarHBondContact O-CG2 3.31Å; E266-T270 PolarHBondContact O-N 3.37Å; E266-T270 PolarHBondContact O-OG1 3.02Å; A267-T270 PolarHBondContact O-OG1 3.47Å; A267-T270 VanDerWaalsContact O-OG1 3.1Å; C268-T270 VanDerWaalsContact C-N 3.35Å
271L54.6Low63.2Low115 Ų115108.9 Ų108.960%0.60263%0.634SS**SBendtrans-75127.5173.3-58.5170.1000108.8A267 C268 N269 A273A267-L271 WeakPolarHBondContact O-CG 3.46Å; C268-L271 VanDerWaalsContact O-CB 3.28Å; C268-L271 WeakPolarHBondContact O-CB 3.44Å; C268-L271 WeakPolarHBondContact O-CG 3.32Å; C268-L271 PolarHBondContact O-N 3.32Å; N269-L271 PolarHBondContact O-N 3.5Å; L271-A273 PolarHBondContact O-N 2.92Å; L271-A273 VanDerWaalsContact O-N 3.13Å
272P51.9Low61.1Low119 Ų119110.8 Ų110.877%0.77365%0.646SS**  trans-59.2124.2174.823.3-30.5000108.6G274P272-G274 PolarHBondContact O-N 3.38Å
273A49.3Very low59.2Low106 Ų106111.3 Ų111.388%0.87666%0.658SS**  trans-65.575.3168.700000108.7L271L271-A273 PolarHBondContact O-N 2.92Å; L271-A273 VanDerWaalsContact O-N 3.13Å
274G48.3Very low57.3Low65 Ų65114.6 Ų114.667%0.6767%0.673SS**  trans-93.5108.2174.600000108.3P272 N276P272-G274 PolarHBondContact O-N 3.38Å; G274-N276 PolarHBondContact O-N 2.82Å
275D48.3Very low55.6Low145 Ų145114.9 Ų114.978%0.77568%0.677SS**  trans-51.6127.1175.9-69.5-39.3000111.4
276N45.4Very low53.8Low144 Ų144122.1 Ų122.177%0.7770%0.698SS**SBendtrans78.1126158.3-48.5-42.9000118.5G274G274-N276 PolarHBondContact O-N 2.82Å
277S46.8Very low52.5Low89 Ų89123.9 Ų123.962%0.62271%0.709SS**SBendtrans75.998.8156.571.60000117.5N279S277-N279 VanDerWaalsContact C-N 3.34Å; S277-N279 PolarHBondContact O-N 2.9Å
278I49.7Very low51.3Low170 Ų170126.9 Ų126.987%0.87272%0.722SS**  36.260.3128.2-40.5161.8000113.6
279N41.7Very low50.7Low126 Ų126128.7 Ų128.767%0.67473%0.731SS**  trans-122.9104.6163.8-86.9-39.7000107.3S277 L281S277-N279 VanDerWaalsContact C-N 3.34Å; S277-N279 PolarHBondContact O-N 2.9Å; N279-L281 PolarHBondContact O-N 3.03Å
280P45.6Very low50.1Low109 Ų109129.9 Ų129.971%0.70874%0.737SS**  trans-63.4129.3179.426.9-31.9000109I282P280-I282 PolarHBondContact O-N 2.96Å
281L46.6Very low50Low153 Ų153128.5 Ų128.580%0.80173%0.728SS**  trans36.871154.4-76.4148.8000115N279 L283N279-L281 PolarHBondContact O-N 3.03Å; L281-L283 PolarHBondContact O-N 2.84Å
282I44.4Very low50.4Low133 Ų133126.4 Ų126.468%0.68272%0.722SS**  trans-77.183.9159.8-56.8177000106.8P280 N284P280-I282 PolarHBondContact O-N 2.96Å; I282-N284 PolarHBondContact O-N 3.12Å
283L49Very low51.1Low145 Ų145130.3 Ų130.376%0.75973%0.73SS**  trans-56118.6162-72.9165.1000107.1L281 P285L281-L283 PolarHBondContact O-N 2.84Å; L283-P285 WeakPolarHBondContact O-CD 3.43Å
284N45.5Very low51.8Low146 Ų146132.4 Ų132.478%0.78173%0.726SS**  trans-35.3102-179.7-84.4-46.5000112.7I282 R286I282-N284 PolarHBondContact O-N 3.12Å; N284-R286 PolarHBondContact O-N 2.86Å
285P50.3Low52.4Low94 Ų94133.4 Ų133.461%0.6172%0.719SS**THydrogen-bonded Turntrans-82.630.3-179.433.8-32.9000111.6L283 I287L283-P285 WeakPolarHBondContact O-CD 3.43Å; P285-I287 PolarHBondContact O-N 2.78Å
286R44.7Very low53Low228 Ų228130 Ų13086%0.8671%0.706SS**THydrogen-bonded Turntrans-76.3-2.1-178.4-94.1-172.9162.3153-2114.3N284 T288N284-R286 PolarHBondContact O-N 2.86Å; R286-T288 PolarHBondContact O-N 3.08Å
287I55.4Low53.8Low148 Ų148127 Ų12776%0.75969%0.694SS**  trans-96.877.6163.4-54.9178.7000107P285 V289P285-I287 PolarHBondContact O-N 2.78Å; I287-V289 VanDerWaalsContact C-N 3.26Å; I287-V289 HydrophobicContact CG2-CG2 3.66Å; I287-V289 PolarHBondContact O-N 3.13Å
288T52Low54.6Low122 Ų122130.9 Ų130.975%0.74870%0.696SS**  trans-73.190.6160.751.90000106.5R286 N290R286-T288 PolarHBondContact O-N 3.08Å; T288-N290 PolarHBondContact O-N 2.87Å; T288-N290 VanDerWaalsContact O-N 3.12Å
289V60.4Low55.1Low106 Ų106130.6 Ų130.664%0.64269%0.691SS**  trans-66.4111.5163.9-174.30000105I287 V291I287-V289 VanDerWaalsContact C-N 3.26Å; I287-V289 HydrophobicContact CG2-CG2 3.66Å; I287-V289 PolarHBondContact O-N 3.13Å; V289-V291 HydrophobicContact CB-CG2 4.07Å; V289-V291 HydrophobicContact CG1-CG2 3.62Å; V289-V291 PolarHBondContact O-N 3.48Å
290N58.8Low55.9Low160 Ų160131.6 Ų131.686%0.85670%0.696SS**  trans-71.672.1175.7-152.121.8000107.6T288 P292T288-N290 PolarHBondContact O-N 2.87Å; T288-N290 VanDerWaalsContact O-N 3.12Å; N290-P292 WeakPolarHBondContact O-CD 3.33Å
291V60.4Low56.8Low75 Ų75132.6 Ų132.646%0.45570%0.695SS.*  trans-73.4117.2173-173.60000105.6V289 E293 T297V289-V291 HydrophobicContact CB-CG2 4.07Å; V289-V291 HydrophobicContact CG1-CG2 3.62Å; V289-V291 PolarHBondContact O-N 3.48Å; V291-E293 PolarHBondContact O-N 3.08Å; V291-T297 HydrophobicContact CG1-CG2 3.73Å
292P63.6Low58Low71 Ų71132 Ų13246%0.46169%0.691SS.*  trans-59.4135175.1-16.328.8000109N290 N294 V295N290-P292 WeakPolarHBondContact O-CD 3.33Å; P292-N294 PolarHBondContact O-N 3.09Å; P292-V295 HydrophobicContact CB-CG2 4.07Å; P292-V295 HydrophobicContact CG-CG2 3.97Å; P292-V295 PolarHBondContact O-N 3.14Å
293E66.4Low59.2Low202 Ų202132.5 Ų132.594%0.94470%0.695SS**THydrogen-bonded Turntrans-54.3-16.6-178.4-71.9-178160.500113.7V291V291-E293 PolarHBondContact O-N 3.08Å
294N64Low60.3Low149 Ų149132.7 Ų132.780%0.79770%0.696SS**THydrogen-bonded Turntrans-101.8-3.8-173.3-1344.1000113.7P292P292-N294 PolarHBondContact O-N 3.09Å
295V61Low61.9Low87 Ų87132.1 Ų132.153%0.52770%0.698SS.*  trans-93.8102.7175.2-1780000107.6P292 T297P292-V295 HydrophobicContact CB-CG2 4.07Å; P292-V295 HydrophobicContact CG-CG2 3.97Å; P292-V295 PolarHBondContact O-N 3.14Å; V295-T297 PolarHBondContact O-N 2.76Å
296S60.5Low63.4Low72 Ų72132.3 Ų132.350%0.50370%0.697SS.*  trans-58.6102166-179.70000107.9Y298S296-Y298 PolarHBondContact O-N 3.2Å
297T63.2Low65.4Low83 Ų83126 Ų12651%0.50968%0.68SS.*THydrogen-bonded Turntrans-66.8-1177.647.80000112.9V291 V295V291-T297 HydrophobicContact CG1-CG2 3.73Å; V295-T297 PolarHBondContact O-N 2.76Å
298Y62.7Low67Low170 Ų170126.3 Ų126.367%0.66768%0.679SS**THydrogen-bonded Turntrans-126.543.1-174.9-54.1-75.8000111.2S296 N300 L301S296-Y298 PolarHBondContact O-N 3.2Å; Y298-N300 VanDerWaalsContact C-N 3.25Å; Y298-N300 PolarHBondContact O-N 2.88Å; Y298-L301 HydrophobicContact CD1-CD2 4.35Å
299E60Low68.8Low164 Ų164124 Ų12477%0.76667%0.668SS**THydrogen-bonded Turntrans-72.8-19174.9-115.6179.5-174.100113.2
300N59.9Low70.3Confident146 Ų146122.4 Ų122.478%0.78165%0.653SS**THydrogen-bonded Turntrans-131.157.5-176.7-62.4-53.2000111.7Y298 I302Y298-N300 VanDerWaalsContact C-N 3.25Å; Y298-N300 PolarHBondContact O-N 2.88Å; N300-I302 VanDerWaalsContact C-N 3.32Å; N300-I302 PolarHBondContact O-N 2.73Å
301L64.3Low71.7Confident131 Ų131119.4 Ų119.469%0.68664%0.636SS**  trans-64106.3154.4-64.8178.3000105.3Y298 D303Y298-L301 HydrophobicContact CD1-CD2 4.35Å; L301-D303 PolarHBondContact O-N 3.39Å
302I70.6Confident73.4Confident140 Ų140119.4 Ų119.472%0.71864%0.636SS**  trans-54.7118168.9-64.3168.2000104.8N300 L304N300-I302 VanDerWaalsContact C-N 3.32Å; N300-I302 PolarHBondContact O-N 2.73Å; I302-L304 HydrophobicContact CG2-CD2 4.18Å; I302-L304 PolarHBondContact O-N 3.35Å
303D70.3Confident74.9Confident144 Ų144121.6 Ų121.677%0.7764%0.635SS**  trans-60.694.1171.9-72.8-34.2000107.3L301 T305L301-D303 PolarHBondContact O-N 3.39Å; D303-T305 VanDerWaalsContact C-N 3.29Å; D303-T305 PolarHBondContact O-N 3.04Å
304L72.4Confident76.3Confident149 Ų149116 Ų11678%0.7861%0.611SS**  trans-73.991.4173.8-68.5175.5000106.4I302 V306I302-L304 HydrophobicContact CG2-CD2 4.18Å; I302-L304 PolarHBondContact O-N 3.35Å; L304-V306 PolarHBondContact O-N 3.44Å
305T79.4Confident77.8Confident133 Ų133112.7 Ų112.782%0.81659%0.591SS**  trans-74117169.453.50000108.2D303D303-T305 VanDerWaalsContact C-N 3.29Å; D303-T305 PolarHBondContact O-N 3.04Å
306V81.6Confident79.5Confident98 Ų98117.1 Ų117.159%0.59460%0.598SS**  trans-90.5118.4174.2176.50000107.3L304 E308 I311L304-V306 PolarHBondContact O-N 3.44Å; V306-E308 PolarHBondContact O-N 3.3Å; V306-I311 HydrophobicContact CG1-CD1 3.22Å; V306-I311 HydrophobicContact CG1-CG1 4.17Å
307D86Confident81.3Confident95 Ų95119 Ų11951%0.50860%0.599SS.*  trans-76.6102.7172-176.23.8000109.6S309 E310 I311D307-S309 PolarHBondContact O-N 3Å; D307-S309 WeakPolarHBondContact OD1-CA 3.46Å; D307-S309 WeakPolarHBondContact OD1-CB 3.38Å; D307-S309 PolarHBondContact OD1-N 3.32Å; D307-S309 PolarHBondContact OD1-OG 3.14Å; D307-E310 HydrophobicContact CB-CB 3.95Å; D307-E310 PolarHBondContact O-N 3.45Å; D307-E310 VanDerWaalsContact O-N 3.12Å; D307-I311 PolarHBondContact O-N 3.4Å; D307-I311 VanDerWaalsContact O-N 3.17Å
308E89.2Confident82.9Confident156 Ų156121.4 Ų121.473%0.72960%0.599SS**Hα-helixtrans-56-31.2175.4-63.9-177.6173.500112V306 I311 V312V306-E308 PolarHBondContact O-N 3.3Å; E308-I311 PolarHBondContact O-N 3Å; E308-V312 WeakPolarHBondContact O-CG2 3.24Å; E308-V312 PolarHBondContact O-N 2.98Å
309S89.2Confident84.4Confident74 Ų74116.3 Ų116.352%0.51758%0.583SS.*Hα-helixtrans-68.8-40.1178.9-510000111.5D307 V312 R313D307-S309 PolarHBondContact O-N 3Å; D307-S309 WeakPolarHBondContact OD1-CA 3.46Å; D307-S309 WeakPolarHBondContact OD1-CB 3.38Å; D307-S309 PolarHBondContact OD1-N 3.32Å; D307-S309 PolarHBondContact OD1-OG 3.14Å; S309-V312 PolarHBondContact O-N 3.47Å; S309-R313 WeakPolarHBondContact O-CB 3.28Å; S309-R313 PolarHBondContact O-N 2.87Å
310E92.6Very high86.1Confident72 Ų72111.3 Ų111.334%0.33657%0.569SS.*Hα-helixtrans-67.1-40177.2-179.761.1-175.400111.2D307 V312 R313 L314D307-E310 HydrophobicContact CB-CB 3.95Å; D307-E310 PolarHBondContact O-N 3.45Å; D307-E310 VanDerWaalsContact O-N 3.12Å; E310-V312 PolarHBondContact O-N 3.27Å; E310-R313 VanDerWaalsContact CD-NH2 3.31Å; E310-R313 PolarHBondContact O-N 3.32Å; E310-R313 IonicContact OE1-CZ 3.75Å; E310-R313 IonicContact OE1-NE 3.71Å; E310-R313 IonicContact OE1-NH2 2.78Å; E310-R313 PolarHBondContact OE1-NH2 3.47Å; E310-R313 IonicContact OE2-CZ 3.9Å; E310-R313 IonicContact OE2-NE 2.87Å; E310-R313 PolarHBondContact OE2-NE 2.85Å; E310-R313 IonicContact OE2-NH2 3.43Å; E310-R313 PolarHBondContact OE2-NH2 2.95Å; E310-L314 HydrophobicContact CG-CD1 4.06Å; E310-L314 HydrophobicContact CG-CG 4.47Å; E310-L314 WeakPolarHBondContact O-CB 3.45Å; E310-L314 WeakPolarHBondContact O-CG 3.22Å; E310-L314 PolarHBondContact O-N 2.96Å
311I88.8Confident87.8Confident96 Ų96106.2 Ų106.249%0.49255%0.547SS..Hα-helixtrans-58.2-49.7172.9-67.6178.1000110.6V306 D307 E308 R313 L314 E315V306-I311 HydrophobicContact CG1-CD1 3.22Å; V306-I311 HydrophobicContact CG1-CG1 4.17Å; D307-I311 PolarHBondContact O-N 3.4Å; D307-I311 VanDerWaalsContact O-N 3.17Å; E308-I311 PolarHBondContact O-N 3Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 2.74Å; I311-L314 PolarHBondContact O-N 2.76Å; I311-E315 WeakPolarHBondContact O-CB 3.43Å; I311-E315 PolarHBondContact O-N 2.93Å
312V95.2Very high89.3Confident75 Ų75105.4 Ų105.446%0.45554%0.54SS..Hα-helixtrans-63.1-39.5-179.8171.60000111.2E308 S309 E310 R316E308-V312 WeakPolarHBondContact O-CG2 3.24Å; E308-V312 PolarHBondContact O-N 2.98Å; S309-V312 PolarHBondContact O-N 3.47Å; E310-V312 PolarHBondContact O-N 3.27Å; V312-R316 WeakPolarHBondContact O-CB 3.37Å; V312-R316 VanDerWaalsContact O-CG 3.29Å; V312-R316 WeakPolarHBondContact O-CG 3.35Å; V312-R316 PolarHBondContact O-N 3.43Å
313R95.7Very high90.3Very high118 Ų118107.1 Ų107.145%0.44554%0.537SS..Hα-helixtrans-63.7-48.4177.8-169.3-167.567.769.4-1111.4S309 E310 I311 E315 R316 Q317S309-R313 WeakPolarHBondContact O-CB 3.28Å; S309-R313 PolarHBondContact O-N 2.87Å; E310-R313 VanDerWaalsContact CD-NH2 3.31Å; E310-R313 PolarHBondContact O-N 3.32Å; E310-R313 IonicContact OE1-CZ 3.75Å; E310-R313 IonicContact OE1-NE 3.71Å; E310-R313 IonicContact OE1-NH2 2.78Å; E310-R313 PolarHBondContact OE1-NH2 3.47Å; E310-R313 IonicContact OE2-CZ 3.9Å; E310-R313 IonicContact OE2-NE 2.87Å; E310-R313 PolarHBondContact OE2-NE 2.85Å; E310-R313 IonicContact OE2-NH2 3.43Å; E310-R313 PolarHBondContact OE2-NH2 2.95Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 2.74Å; R313-E315 VanDerWaalsContact C-N 3.34Å; R313-E315 PolarHBondContact O-N 3.42Å; R313-R316 PolarHBondContact O-N 2.84Å; R313-Q317 VanDerWaalsContact NH1-OE1 3.11Å; R313-Q317 WeakPolarHBondContact O-CB 3.18Å; R313-Q317 PolarHBondContact O-N 2.83Å
314L95.5Very high91.4Very high84 Ų84106.4 Ų106.444%0.4453%0.527SS..Hα-helixtrans-63.4-39.7179-73172.9000111.7E310 I311 Q317 R318E310-L314 HydrophobicContact CG-CD1 4.06Å; E310-L314 HydrophobicContact CG-CG 4.47Å; E310-L314 WeakPolarHBondContact O-CB 3.45Å; E310-L314 WeakPolarHBondContact O-CG 3.22Å; E310-L314 PolarHBondContact O-N 2.96Å; I311-L314 PolarHBondContact O-N 2.76Å; L314-Q317 WeakPolarHBondContact O-CB 3.47Å; L314-Q317 PolarHBondContact O-N 3.33Å; L314-R318 WeakPolarHBondContact O-CB 3.4Å; L314-R318 PolarHBondContact O-N 3.03Å
315E96.4Very high92.3Very high80 Ų80108.1 Ų108.137%0.37452%0.524SS..Hα-helixtrans-69.4-41178.8-173.857.1-161.700112.1I311 R313 Q317 R318 I319I311-E315 WeakPolarHBondContact O-CB 3.43Å; I311-E315 PolarHBondContact O-N 2.93Å; R313-E315 VanDerWaalsContact C-N 3.34Å; R313-E315 PolarHBondContact O-N 3.42Å; E315-Q317 VanDerWaalsContact C-N 3.29Å; E315-Q317 PolarHBondContact O-N 2.88Å; E315-R318 WeakPolarHBondContact O-CB 3.48Å; E315-R318 PolarHBondContact O-N 3.41Å; E315-R318 IonicContact OE1-CZ 3.44Å; E315-R318 IonicContact OE1-NE 3.82Å; E315-R318 PolarHBondContact OE1-NE 3.27Å; E315-R318 VanDerWaalsContact OE1-NE 3.11Å; E315-R318 IonicContact OE1-NH2 2.66Å; E315-R318 PolarHBondContact OE1-NH2 2.94Å; E315-R318 IonicContact OE2-CZ 2.74Å; E315-R318 IonicContact OE2-NE 3.49Å; E315-R318 PolarHBondContact OE2-NE 3.4Å; E315-R318 IonicContact OE2-NH2 3Å; E315-I319 HydrophobicContact CG-CD1 4.25Å; E315-I319 WeakPolarHBondContact O-CG1 2.88Å; E315-I319 PolarHBondContact O-N 2.87Å
316R96.7Very high92.8Very high180 Ų180107 Ų10768%0.67951%0.512SS*.Hα-helixtrans-60-41.5171.9-74.5176.9-174.1-82.7-0.5111.7V312 R313 I319 A320V312-R316 WeakPolarHBondContact O-CB 3.37Å; V312-R316 VanDerWaalsContact O-CG 3.29Å; V312-R316 WeakPolarHBondContact O-CG 3.35Å; V312-R316 PolarHBondContact O-N 3.43Å; R313-R316 PolarHBondContact O-N 2.84Å; R316-I319 PolarHBondContact O-N 3.41Å; R316-A320 WeakPolarHBondContact O-CB 3.41Å; R316-A320 PolarHBondContact O-N 3.35Å
317Q97Very high93.1Very high111 Ų111108.1 Ų108.152%0.51951%0.514SS..Hα-helixtrans-63.8-42176.1-174.6176.18.500111.5R313 L314 E315 A320 A321R313-Q317 VanDerWaalsContact NH1-OE1 3.11Å; R313-Q317 WeakPolarHBondContact O-CB 3.18Å; R313-Q317 PolarHBondContact O-N 2.83Å; L314-Q317 WeakPolarHBondContact O-CB 3.47Å; L314-Q317 PolarHBondContact O-N 3.33Å; E315-Q317 VanDerWaalsContact C-N 3.29Å; E315-Q317 PolarHBondContact O-N 2.88Å; Q317-A320 PolarHBondContact O-N 2.98Å; Q317-A321 WeakPolarHBondContact O-CB 3.38Å; Q317-A321 PolarHBondContact O-N 3.46Å
318R97Very high93.1Very high134 Ų134108 Ų10851%0.50651%0.511SS..Hα-helixtrans-59.4-47.9176-167.5-172.874.781.82.4111.6L314 E315 A321 Q322L314-R318 WeakPolarHBondContact O-CB 3.4Å; L314-R318 PolarHBondContact O-N 3.03Å; E315-R318 WeakPolarHBondContact O-CB 3.48Å; E315-R318 PolarHBondContact O-N 3.41Å; E315-R318 IonicContact OE1-CZ 3.44Å; E315-R318 IonicContact OE1-NE 3.82Å; E315-R318 PolarHBondContact OE1-NE 3.27Å; E315-R318 VanDerWaalsContact OE1-NE 3.11Å; E315-R318 IonicContact OE1-NH2 2.66Å; E315-R318 PolarHBondContact OE1-NH2 2.94Å; E315-R318 IonicContact OE2-CZ 2.74Å; E315-R318 IonicContact OE2-NE 3.49Å; E315-R318 PolarHBondContact OE2-NE 3.4Å; E315-R318 IonicContact OE2-NH2 3Å; R318-A321 PolarHBondContact O-N 2.97Å; R318-Q322 PolarHBondContact O-N 2.92Å
319I95.3Very high92.7Very high63 Ų63102.9 Ų102.932%0.32350%0.495SS..Hα-helixtrans-64.2-43.5178.5-66166.4000111.1E315 R316 A321 Q322 R323E315-I319 HydrophobicContact CG-CD1 4.25Å; E315-I319 WeakPolarHBondContact O-CG1 2.88Å; E315-I319 PolarHBondContact O-N 2.87Å; R316-I319 PolarHBondContact O-N 3.41Å; I319-A321 PolarHBondContact O-N 3.32Å; I319-Q322 PolarHBondContact O-N 3.32Å; I319-R323 WeakPolarHBondContact O-CG 3.35Å; I319-R323 PolarHBondContact O-N 3.5Å
320A95.1Very high92.1Very high58 Ų58103.2 Ų103.248%0.47949%0.491SS..Hα-helixtrans-62.7-42.4177.300000111.9R316 Q317 R323 K324R316-A320 WeakPolarHBondContact O-CB 3.41Å; R316-A320 PolarHBondContact O-N 3.35Å; Q317-A320 PolarHBondContact O-N 2.98Å; A320-R323 PolarHBondContact O-N 3.4Å; A320-K324 WeakPolarHBondContact O-CB 3.48Å; A320-K324 PolarHBondContact O-N 2.93Å
321A95.5Very high91.2Very high40 Ų40109.4 Ų109.433%0.33151%0.511SS..Hα-helixtrans-63.8-40.9175.800000112Q317 R318 I319 K324 R325Q317-A321 WeakPolarHBondContact O-CB 3.38Å; Q317-A321 PolarHBondContact O-N 3.46Å; R318-A321 PolarHBondContact O-N 2.97Å; I319-A321 PolarHBondContact O-N 3.32Å; A321-K324 PolarHBondContact O-N 3.43Å; A321-R325 WeakPolarHBondContact O-CG 3.32Å; A321-R325 PolarHBondContact O-N 2.88Å
322Q94.8Very high90.1Very high114 Ų114113.2 Ų113.253%0.53352%0.524SS..Hα-helixtrans-63.2-45.8175.6-172.9178.2-0.100111.8R318 I319 K324 R325 L326R318-Q322 PolarHBondContact O-N 2.92Å; I319-Q322 PolarHBondContact O-N 3.32Å; Q322-K324 VanDerWaalsContact C-N 3.34Å; Q322-K324 PolarHBondContact O-N 2.88Å; Q322-R325 PolarHBondContact O-N 3.05Å; Q322-L326 PolarHBondContact O-N 3.3Å
323R93.6Very high88.5Confident175 Ų175116 Ų11666%0.6653%0.532SS*.Hα-helixtrans-60-42.9175.6-73.1177.2179.3178.4-0.5112I319 A320 L326 L327I319-R323 WeakPolarHBondContact O-CG 3.35Å; I319-R323 PolarHBondContact O-N 3.5Å; A320-R323 PolarHBondContact O-N 3.4Å; R323-L326 PolarHBondContact O-N 2.99Å; R323-L327 WeakPolarHBondContact O-CG 3.07Å; R323-L327 PolarHBondContact O-N 3.22Å
324K93.4Very high86.4Confident129 Ų129117 Ų11756%0.56155%0.546SS*.Hα-helixtrans-61.4-46176.5-178.8175.6171.8177.60111.8A320 A321 Q322 L326 L327 E328A320-K324 WeakPolarHBondContact O-CB 3.48Å; A320-K324 PolarHBondContact O-N 2.93Å; A321-K324 PolarHBondContact O-N 3.43Å; Q322-K324 VanDerWaalsContact C-N 3.34Å; Q322-K324 PolarHBondContact O-N 2.88Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 2.73Å; K324-L327 PolarHBondContact O-N 2.75Å; K324-E328 WeakPolarHBondContact CE-OE1 3.34Å; K324-E328 IonicContact NZ-OE1 3.92Å; K324-E328 WeakPolarHBondContact O-CG 3.19Å; K324-E328 PolarHBondContact O-N 3.07Å
325R91.1Very high84.4Confident186 Ų186119 Ų11970%0.70256%0.556SS**Hα-helixtrans-60.7-40.9176.9-73.2177.1-172.1168.42.7112.3A321 Q322 E328 A329A321-R325 WeakPolarHBondContact O-CG 3.32Å; A321-R325 PolarHBondContact O-N 2.88Å; Q322-R325 PolarHBondContact O-N 3.05Å; R325-E328 PolarHBondContact O-N 2.85Å; R325-A329 WeakPolarHBondContact O-CB 3.37Å; R325-A329 PolarHBondContact O-N 2.95Å
326L89.8Confident82Confident109 Ų109124.4 Ų124.457%0.57158%0.578SS**Hα-helixtrans-62.7-45.7176.8-175.368.6000111.5Q322 R323 K324 E328 A329 N330Q322-L326 PolarHBondContact O-N 3.3Å; R323-L326 PolarHBondContact O-N 2.99Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 2.73Å; L326-E328 PolarHBondContact O-N 3.39Å; L326-A329 PolarHBondContact O-N 3.47Å; L326-N330 WeakPolarHBondContact O-CB 3.5Å; L326-N330 VanDerWaalsContact O-CG 3.27Å; L326-N330 PolarHBondContact O-N 2.82Å; L326-N330 PolarHBondContact O-ND2 2.86Å
327L87.3Confident80Confident122 Ų122121.2 Ų121.264%0.63958%0.579SS**Hα-helixtrans-63.2-41.3176.3-70.6170.2000112.2R323 K324 N330 R331R323-L327 WeakPolarHBondContact O-CG 3.07Å; R323-L327 PolarHBondContact O-N 3.22Å; K324-L327 PolarHBondContact O-N 2.75Å; L327-N330 PolarHBondContact O-N 2.86Å; L327-R331 WeakPolarHBondContact O-CB 3.35Å; L327-R331 PolarHBondContact O-N 2.97Å
328E86.1Confident77.8Confident93 Ų93123.4 Ų123.444%0.43559%0.594SS.*Hα-helixtrans-66.6-37.1176.1-74.2176.2-175.900112.6K324 R325 L326 R331 K332K324-E328 WeakPolarHBondContact CE-OE1 3.34Å; K324-E328 IonicContact NZ-OE1 3.92Å; K324-E328 WeakPolarHBondContact O-CG 3.19Å; K324-E328 PolarHBondContact O-N 3.07Å; R325-E328 PolarHBondContact O-N 2.85Å; L326-E328 PolarHBondContact O-N 3.39Å; E328-R331 PolarHBondContact O-N 3.36Å; E328-K332 WeakPolarHBondContact O-CG 3.44Å; E328-K332 PolarHBondContact O-N 3.25Å; E328-K332 VanDerWaalsContact O-N 3.17Å
329A81.6Confident75.9Confident48 Ų48125 Ų12540%0.39761%0.607SS.*Hα-helixtrans-64.7-46.4173.600000111.1R325 L326 R331 K332 Q333R325-A329 WeakPolarHBondContact O-CB 3.37Å; R325-A329 PolarHBondContact O-N 2.95Å; L326-A329 PolarHBondContact O-N 3.47Å; A329-R331 VanDerWaalsContact C-N 3.29Å; A329-R331 PolarHBondContact O-N 2.87Å; A329-K332 PolarHBondContact O-N 3.29Å; A329-K332 VanDerWaalsContact O-N 3.12Å; A329-Q333 PolarHBondContact O-N 3.44Å; A329-Q333 VanDerWaalsContact O-N 3.11Å
330N76.6Confident74.4Confident80 Ų80127 Ų12743%0.42862%0.624SS.*Hα-helixtrans-62.1-36.6175.2-69.7-22.5000111.8L326 L327 K332 Q333 N334L326-N330 WeakPolarHBondContact O-CB 3.5Å; L326-N330 VanDerWaalsContact O-CG 3.27Å; L326-N330 PolarHBondContact O-N 2.82Å; L326-N330 PolarHBondContact O-ND2 2.86Å; L327-N330 PolarHBondContact O-N 2.86Å; N330-K332 VanDerWaalsContact C-N 3.29Å; N330-K332 PolarHBondContact O-N 3.46Å; N330-Q333 PolarHBondContact O-N 3.29Å; N330-Q333 VanDerWaalsContact O-N 3.14Å; N330-N334 PolarHBondContact O-N 3.31Å; N330-N334 VanDerWaalsContact O-N 3.08Å
331R71.7Confident73.1Confident203 Ų203133.1 Ų133.177%0.76664%0.643SS**Hα-helixtrans-65.8-30.9175.9-156.7-175.394.11030.1112.8L327 E328 A329L327-R331 WeakPolarHBondContact O-CB 3.35Å; L327-R331 PolarHBondContact O-N 2.97Å; E328-R331 PolarHBondContact O-N 3.36Å; A329-R331 VanDerWaalsContact C-N 3.29Å; A329-R331 PolarHBondContact O-N 2.87Å
332K65.8Low71.9Confident175 Ų175136.2 Ų136.276%0.76166%0.66SS**Hα-helixtrans-77.1-24.7174.3-69.2177.7-175.8-177.60112.4E328 A329 N330E328-K332 WeakPolarHBondContact O-CG 3.44Å; E328-K332 PolarHBondContact O-N 3.25Å; E328-K332 VanDerWaalsContact O-N 3.17Å; A329-K332 PolarHBondContact O-N 3.29Å; A329-K332 VanDerWaalsContact O-N 3.12Å; N330-K332 VanDerWaalsContact C-N 3.29Å; N330-K332 PolarHBondContact O-N 3.46Å
333Q61.5Low71Confident134 Ų134135.3 Ų135.363%0.62666%0.658SS**Hα-helixtrans-82.9-13.9174-72.5-171.4-10.400114A329 N330 I335A329-Q333 PolarHBondContact O-N 3.44Å; A329-Q333 VanDerWaalsContact O-N 3.11Å; N330-Q333 PolarHBondContact O-N 3.29Å; N330-Q333 VanDerWaalsContact O-N 3.14Å; Q333-I335 PolarHBondContact O-N 2.83Å
334N52.3Low70Confident139 Ų139133.7 Ų133.774%0.74366%0.662SS**  trans-71.462.7154.9-85.2-17000109.5N330 K336N330-N334 PolarHBondContact O-N 3.31Å; N330-N334 VanDerWaalsContact O-N 3.08Å; N334-K336 PolarHBondContact O-N 3.48Å
335I54Low69Low126 Ų126133.4 Ų133.465%0.64667%0.666SS**  trans-45129.1143.9-66166000104.5Q333 V337Q333-I335 PolarHBondContact O-N 2.83Å; I335-V337 PolarHBondContact O-N 2.91Å
336K45.7Very low68.1Low194 Ų194131.6 Ų131.684%0.84367%0.666SS**  trans-57.680.9166-68.5178.2174.9-171.70107.7N334 D338N334-K336 PolarHBondContact O-N 3.48Å; K336-D338 PolarHBondContact O-N 3.38Å
337V55.3Low67.4Low113 Ų113134 Ų13469%0.68567%0.672SS**  trans-63.8117146.9-179.60000101.7I335 E339I335-V337 PolarHBondContact O-N 2.91Å; V337-E339 PolarHBondContact O-N 3Å
338D50.4Low66.5Low156 Ų156133.1 Ų133.183%0.83466%0.663SS**  trans-60.180.4162.6-83.8-36.2000105.7K336 P340K336-D338 PolarHBondContact O-N 3.38Å; D338-P340 WeakPolarHBondContact O-CD 3.17Å
339E56.9Low65.8Low168 Ų168131 Ų13179%0.78566%0.655SS**PPolyproline II helixtrans-71.1117.7172.2-156.9172.9-157.500104.4V337V337-E339 PolarHBondContact O-N 3Å
340P63.4Low65.5Low106 Ų106133.6 Ų133.669%0.68867%0.667SS**PPolyproline II helixtrans-57.6151.1175.724.7-31.8000109.1D338D338-P340 WeakPolarHBondContact O-CD 3.17Å
341E69.3Low65.4Low185 Ų185136.5 Ų136.586%0.86468%0.683SS**PPolyproline II helixtrans-46.2125.9176.4-173.3175.5-178.500109.5D343E341-D343 PolarHBondContact O-N 2.88Å
342P69.4Low65.5Low106 Ų106136.7 Ų136.769%0.68868%0.684SS**  trans-61114.6-172.422.4-32.8000109.9L344P342-L344 PolarHBondContact O-N 3.18Å; P342-L344 VanDerWaalsContact O-N 3.17Å
343D75.9Confident66Low94 Ų94132.1 Ų132.150%0.50367%0.665SS.*  trans-74.7105.7175.8-176.73.7000108.9E341 L345 E346E341-D343 PolarHBondContact O-N 2.88Å; D343-L345 PolarHBondContact O-N 3.11Å; D343-L345 WeakPolarHBondContact OD1-CB 3.34Å; D343-L345 PolarHBondContact OD1-N 3.25Å; D343-E346 HydrophobicContact CB-CB 4.19Å; D343-E346 VanDerWaalsContact O-CB 3.28Å; D343-E346 WeakPolarHBondContact O-CB 3.2Å; D343-E346 PolarHBondContact O-N 3.44Å
344L71.8Confident66.4Low141 Ų141131 Ų13174%0.73867%0.667SS**THydrogen-bonded Turntrans-59-20177.2-61.4177.3000112.5P342P342-L344 PolarHBondContact O-N 3.18Å; P342-L344 VanDerWaalsContact O-N 3.17Å
345L72.7Confident67.1Low123 Ų123131.7 Ų131.764%0.64466%0.66SS**THydrogen-bonded Turntrans-87.4-11.7176.1-95.264.5000113.7D343 F347 F348D343-L345 PolarHBondContact O-N 3.11Å; D343-L345 WeakPolarHBondContact OD1-CB 3.34Å; D343-L345 PolarHBondContact OD1-N 3.25Å; L345-F347 PolarHBondContact O-N 2.82Å; L345-F348 HydrophobicContact CG-CB 4.42Å; L345-F348 CarbonylContact O-C 3.59Å; L345-F348 WeakPolarHBondContact O-CA 3.35Å; L345-F348 WeakPolarHBondContact O-CB 3.45Å; L345-F348 PolarHBondContact O-N 3.36Å
346E73.4Confident67.4Low149 Ų149134 Ų13470%0.69667%0.668SS**THydrogen-bonded Turntrans-59.1-37178-174.8177.2-18000111.3D343 F348D343-E346 HydrophobicContact CB-CB 4.19Å; D343-E346 VanDerWaalsContact O-CB 3.28Å; D343-E346 WeakPolarHBondContact O-CB 3.2Å; D343-E346 PolarHBondContact O-N 3.44Å; E346-F348 VanDerWaalsContact C-N 3.34Å
347F73.8Confident68.3Low158 Ų158129.9 Ų129.969%0.69366%0.664SS**THydrogen-bonded Turntrans-78.6-18.1174.8-57.7-73.1000112.9L345 D349 H353L345-F347 PolarHBondContact O-N 2.82Å; F347-D349 PolarHBondContact O-N 2.97Å; F347-D349 VanDerWaalsContact O-N 3.13Å; F347-H353 PolarHBondContact O-CE1 3.19Å; F347-H353 PolarHBondContact O-ND1 2.8Å
348F69Low68.6Low104 Ų104129.3 Ų129.346%0.45666%0.66SS.*  trans-83.983.5177.9-101.5-100.2000110.6L345 E346 P350 Y355L345-F348 HydrophobicContact CG-CB 4.42Å; L345-F348 CarbonylContact O-C 3.59Å; L345-F348 WeakPolarHBondContact O-CA 3.35Å; L345-F348 WeakPolarHBondContact O-CB 3.45Å; L345-F348 PolarHBondContact O-N 3.36Å; E346-F348 VanDerWaalsContact C-N 3.34Å; F348-P350 VanDerWaalsContact O-CD 3.24Å; F348-P350 WeakPolarHBondContact O-CD 3.24Å; F348-Y355 HydrophobicContact CD1-CE2 4.28Å; F348-Y355 HydrophobicContact CE1-CD2 4.44Å; F348-Y355 AromaticContact CE1-CE2 3.37Å; F348-Y355 HydrophobicContact CE1-CE2 3.37Å; F348-Y355 AromaticContact CE1-CZ 3.89Å; F348-Y355 AromaticContact CZ-CE2 3.78Å; F348-Y355 HydrophobicContact CZ-CE2 3.78Å; F348-Y355 AromaticContact CZ-CZ 3.79Å; F348-Y355 WeakPolarHBondContact CZ-OH 3.42Å
349D72Confident68.7Low50 Ų50128.2 Ų128.227%0.26765%0.654SS.*  trans-79.4111.8161.2176.51.7000109.5F347 N351 R352 H353F347-D349 PolarHBondContact O-N 2.97Å; F347-D349 VanDerWaalsContact O-N 3.13Å; D349-N351 PolarHBondContact O-N 2.79Å; D349-N351 VanDerWaalsContact O-N 3.1Å; D349-N351 WeakPolarHBondContact OD1-CA 3.38Å; D349-N351 VanDerWaalsContact OD1-CB 3.25Å; D349-N351 WeakPolarHBondContact OD1-CB 3.32Å; D349-N351 PolarHBondContact OD1-N 2.83Å; D349-N351 PolarHBondContact OD1-ND2 3.45Å; D349-R352 HydrophobicContact CB-CB 4.05Å; D349-R352 HydrophobicContact CB-CG 4.42Å; D349-R352 PolarHBondContact O-N 3.47Å; D349-R352 VanDerWaalsContact O-N 3.08Å; D349-R352 VanDerWaalsContact OD2-CD 3.24Å; D349-R352 WeakPolarHBondContact OD2-CD 3.25Å; D349-R352 WeakPolarHBondContact OD2-CG 3.01Å; D349-R352 IonicContact OD2-NE 3.41Å; D349-H353 PolarHBondContact N-ND1 3.08Å; D349-H353 WeakPolarHBondContact O-CA 3.48Å; D349-H353 VanDerWaalsContact O-CB 3.31Å; D349-H353 WeakPolarHBondContact O-CB 3.19Å; D349-H353 PolarHBondContact O-N 3.43Å; D349-H353 PolarHBondContact O-ND1 3.24Å
350P74.5Confident68.7Low101 Ų101126.3 Ų126.366%0.65665%0.649SS**THydrogen-bonded Turntrans-61-21.1179-21.734.9000113.6F348 V354F348-P350 VanDerWaalsContact O-CD 3.24Å; F348-P350 WeakPolarHBondContact O-CD 3.24Å; P350-V354 WeakPolarHBondContact O-CG2 3.44Å
351N75.8Confident68.1Low142 Ų142127.6 Ų127.676%0.75965%0.646SS**THydrogen-bonded Turntrans-82.2-27.1178.3-52-68.5000112.5D349D349-N351 PolarHBondContact O-N 2.79Å; D349-N351 VanDerWaalsContact O-N 3.1Å; D349-N351 WeakPolarHBondContact OD1-CA 3.38Å; D349-N351 VanDerWaalsContact OD1-CB 3.25Å; D349-N351 WeakPolarHBondContact OD1-CB 3.32Å; D349-N351 PolarHBondContact OD1-N 2.83Å; D349-N351 PolarHBondContact OD1-ND2 3.45Å
352R73.6Confident67.3Low206 Ų206124 Ų12478%0.77764%0.641SS**THydrogen-bonded Turntrans-96.3-38.8175.5-73.8173.8177.7-95.21112.5D349 V354D349-R352 HydrophobicContact CB-CB 4.05Å; D349-R352 HydrophobicContact CB-CG 4.42Å; D349-R352 PolarHBondContact O-N 3.47Å; D349-R352 VanDerWaalsContact O-N 3.08Å; D349-R352 VanDerWaalsContact OD2-CD 3.24Å; D349-R352 WeakPolarHBondContact OD2-CD 3.25Å; D349-R352 WeakPolarHBondContact OD2-CG 3.01Å; D349-R352 IonicContact OD2-NE 3.41Å; R352-V354 PolarHBondContact O-N 3.17Å
353H75.2Confident66.4Low80 Ų80128 Ų12837%0.3765%0.648SS.*  trans-93.253.5-179.4-54.192.8000110.2F347 D349 Y355F347-H353 PolarHBondContact O-CE1 3.19Å; F347-H353 PolarHBondContact O-ND1 2.8Å; D349-H353 PolarHBondContact N-ND1 3.08Å; D349-H353 WeakPolarHBondContact O-CA 3.48Å; D349-H353 VanDerWaalsContact O-CB 3.31Å; D349-H353 WeakPolarHBondContact O-CB 3.19Å; D349-H353 PolarHBondContact O-N 3.43Å; D349-H353 PolarHBondContact O-ND1 3.24Å; H353-Y355 VanDerWaalsContact C-N 3.33Å; H353-Y355 HydrophobicContact CB-CE2 4.08Å; H353-Y355 WeakPolarHBondContact O-CD2 3.31Å; H353-Y355 PolarHBondContact O-N 2.78Å; H353-Y355 VanDerWaalsContact O-N 3.07Å
354V70.9Confident65.1Low110 Ų110126.7 Ų126.767%0.66766%0.657SS**  trans-75.195.7163.2-178.40000106.3P350 R352 Q356P350-V354 WeakPolarHBondContact O-CG2 3.44Å; R352-V354 PolarHBondContact O-N 3.17Å; V354-Q356 PolarHBondContact O-N 3.11Å
355Y65.5Low64Low154 Ų154126.4 Ų126.460%0.60465%0.654SS**  trans-61.9107.7168-66.6-90.1000107.3F348 H353 S357F348-Y355 HydrophobicContact CD1-CE2 4.28Å; F348-Y355 HydrophobicContact CE1-CD2 4.44Å; F348-Y355 AromaticContact CE1-CE2 3.37Å; F348-Y355 HydrophobicContact CE1-CE2 3.37Å; F348-Y355 AromaticContact CE1-CZ 3.89Å; F348-Y355 AromaticContact CZ-CE2 3.78Å; F348-Y355 HydrophobicContact CZ-CE2 3.78Å; F348-Y355 AromaticContact CZ-CZ 3.79Å; F348-Y355 WeakPolarHBondContact CZ-OH 3.42Å; H353-Y355 VanDerWaalsContact C-N 3.33Å; H353-Y355 HydrophobicContact CB-CE2 4.08Å; H353-Y355 WeakPolarHBondContact O-CD2 3.31Å; H353-Y355 PolarHBondContact O-N 2.78Å; H353-Y355 VanDerWaalsContact O-N 3.07Å; Y355-S357 PolarHBondContact O-N 3.12Å
356Q61.5Low62.8Low175 Ų175131.3 Ų131.382%0.81866%0.664SS**  trans-65.793.7159.6-170.9175.220.300105.7V354 V358V354-Q356 PolarHBondContact O-N 3.11Å; Q356-V358 VanDerWaalsContact C-N 3.27Å; Q356-V358 PolarHBondContact O-N 3.14Å
357S64.5Low61.7Low107 Ų107128.7 Ų128.775%0.74866%0.662SS**  trans-62.399.7166.751.70000106.3Y355 N359Y355-S357 PolarHBondContact O-N 3.12Å; S357-N359 PolarHBondContact O-N 2.84Å
358V60.4Low60.3Low101 Ų101129.1 Ų129.161%0.61267%0.671SS**  trans-61.9110.1161.5-75.30000104.9Q356 L360Q356-V358 VanDerWaalsContact C-N 3.27Å; Q356-V358 PolarHBondContact O-N 3.14Å; V358-L360 HydrophobicContact CG2-CD2 4.1Å; V358-L360 HydrophobicContact CG2-CG 4.11Å; V358-L360 PolarHBondContact O-N 3.38Å
359N54.4Low59.4Low132 Ų132130.7 Ų130.771%0.70668%0.683SS**  trans-64.587.4169-170.2-1.8000105.9S357 Q361S357-N359 PolarHBondContact O-N 2.84Å; N359-Q361 PolarHBondContact O-N 3.08Å
360L55.6Low58.3Low128 Ų128133.6 Ų133.667%0.6771%0.705SS**  trans-65.886173.1-68.4177000105.7V358 S362V358-L360 HydrophobicContact CG2-CD2 4.1Å; V358-L360 HydrophobicContact CG2-CG 4.11Å; V358-L360 PolarHBondContact O-N 3.38Å; L360-S362 PolarHBondContact O-N 3Å
361Q50.2Low57.2Low134 Ų134133.3 Ų133.363%0.62670%0.701SS**  trans-59.7110165.9-66.3-144-6.300106N359 K363N359-Q361 PolarHBondContact O-N 3.08Å; Q361-K363 PolarHBondContact O-N 3.38Å
362S54.1Low56Low109 Ų109131.6 Ų131.676%0.76269%0.692SS**  trans-64.912.4-179.952.20000113.7L360 G364L360-S362 PolarHBondContact O-N 3Å; S362-G364 PolarHBondContact O-N 3.17Å
363K49.4Very low55.1Low190 Ų190130.1 Ų130.183%0.82669%0.693SS**SBendtrans-74.676.1168.9-75.8178.4176.8174.50109.7Q361Q361-K363 PolarHBondContact O-N 3.38Å
364G48.9Very low54.4Low67 Ų67132.2 Ų132.269%0.69172%0.715SS**SBendtrans147.5-7.6158.800000117.8S362 R366S362-G364 PolarHBondContact O-N 3.17Å; G364-R366 PolarHBondContact O-N 3.41Å
365I48.2Very low54Low135 Ų135128.4 Ų128.469%0.69270%0.695SS**  trans-78.894.7172.9-48.3175.3000106.7S367I365-S367 PolarHBondContact O-N 3.17Å
366R47.9Very low54.3Low226 Ų226124.4 Ų124.485%0.85369%0.69SS**  trans-51.4117.3164-68.8-173.4-174.3178.42.3105.8G364 L368G364-R366 PolarHBondContact O-N 3.41Å; R366-L368 PolarHBondContact O-N 3.04Å
367S49.6Very low55Low94 Ų94122.3 Ų122.366%0.65769%0.685SS**  trans-53.6104.7178.355.70000108.6I365 L369I365-S367 PolarHBondContact O-N 3.17Å; S367-L369 PolarHBondContact O-N 3.08Å; S367-L369 VanDerWaalsContact O-N 3.12Å
368L45.4Very low55.7Low166 Ų166123.1 Ų123.187%0.86968%0.68SS**  trans-78.529.5166.5-66.2174.9000110.4R366 P370R366-L368 PolarHBondContact O-N 3.04Å; L368-P370 VanDerWaalsContact O-CD 3.31Å; L368-P370 WeakPolarHBondContact O-CD 3.23Å
369L49.4Very low56.4Low137 Ų137123.7 Ų123.772%0.71768%0.68SS**SBendtrans-64.2117.9159.7-95.2148.2000105.1S367 T371S367-L369 PolarHBondContact O-N 3.08Å; S367-L369 VanDerWaalsContact O-N 3.12Å; L369-T371 PolarHBondContact O-N 3.1Å
370P50.5Low57.5Low111 Ų111118.8 Ų118.872%0.72165%0.654SS**  trans-50.4119.2173.2-2030.2000106.1L368 L372L368-P370 VanDerWaalsContact O-CD 3.31Å; L368-P370 WeakPolarHBondContact O-CD 3.23Å; P370-L372 VanDerWaalsContact C-N 3.3Å; P370-L372 PolarHBondContact O-N 3.18Å
371T50.1Low58.6Low95 Ų95117.2 Ų117.258%0.58365%0.647SS**  trans-62.2103178.9-43.20000105.7L369 H373 C374L369-T371 PolarHBondContact O-N 3.1Å; T371-H373 HydrophobicContact CG2-CB 3.78Å; T371-H373 PolarHBondContact O-N 3Å; T371-C374 PolarHBondContact O-N 3.04Å; T371-C374 VanDerWaalsContact O-N 3.08Å
372L51.3Low59.9Low106 Ų106115.7 Ų115.756%0.55565%0.646SS**G310 helixtrans-54-11.6177.3-86.9161.6000112.1P370 C374 A375 V380P370-L372 VanDerWaalsContact C-N 3.3Å; P370-L372 PolarHBondContact O-N 3.18Å; L372-C374 PolarHBondContact O-N 3.13Å; L372-A375 PolarHBondContact O-N 2.87Å; L372-A375 VanDerWaalsContact O-N 3.13Å; L372-V380 HydrophobicContact CD2-CG2 4.46Å
373H53.9Low61Low176 Ų176115.9 Ų115.982%0.81563%0.634SS**G310 helixtrans-58.3-20170-79.6-48.2000115.6T371T371-H373 HydrophobicContact CG2-CB 3.78Å; T371-H373 PolarHBondContact O-N 3Å
374C60Low62.4Low123 Ų123112.5 Ų112.583%0.83162%0.621SS**G310 helixtrans-93.1-5.7176.7-61.70000113.5T371 L372T371-C374 PolarHBondContact O-N 3.04Å; T371-C374 VanDerWaalsContact O-N 3.08Å; L372-C374 PolarHBondContact O-N 3.13Å
375A62.9Low63.6Low30 Ų30115.6 Ų115.625%0.24862%0.617CS.*SBendtrans-80.6143175.200000109.6L372 L379 V380L372-A375 PolarHBondContact O-N 2.87Å; L372-A375 VanDerWaalsContact O-N 3.13Å; A375-L379 HydrophobicContact CB-CB 4.31Å; A375-L379 HydrophobicContact CB-CD2 4.23Å; A375-V380 HydrophobicContact CB-CG2 3.82Å
376S72.4Confident65Low70 Ų70115.2 Ų115.249%0.4961%0.61SS.*  trans-61.2148170.256.20000110D378 L379 V380S376-D378 PolarHBondContact O-N 3.36Å; S376-D378 VanDerWaalsContact O-N 3.09Å; S376-L379 WeakPolarHBondContact O-CB 3.39Å; S376-L379 PolarHBondContact O-N 3.44Å; S376-V380 PolarHBondContact O-N 3.25Å; S376-V380 VanDerWaalsContact O-N 3.14Å
377D77.1Confident66.4Low132 Ų132107.7 Ų107.771%0.70659%0.586SS**Hα-helixtrans-53.8-32.6178.5-71-27.6000111.8L379 V380 N381D377-L379 PolarHBondContact O-N 3.27Å; D377-V380 PolarHBondContact O-N 3.07Å; D377-N381 WeakPolarHBondContact O-CB 3.44Å; D377-N381 VanDerWaalsContact O-CG 3.27Å; D377-N381 PolarHBondContact O-N 3.35Å; D377-N381 PolarHBondContact O-ND2 2.88Å
378D77.4Confident67.4Low123 Ų123106 Ų10666%0.65858%0.577SS**Hα-helixtrans-60-44173.7-65-25.3000112.4S376 N381 V382S376-D378 PolarHBondContact O-N 3.36Å; S376-D378 VanDerWaalsContact O-N 3.09Å; D378-N381 PolarHBondContact O-N 2.69Å; D378-V382 VanDerWaalsContact O-CG2 3.28Å; D378-V382 WeakPolarHBondContact O-CG2 3.44Å; D378-V382 PolarHBondContact O-N 3.31Å
379L76.2Confident68.4Low114 Ų114100.6 Ų100.660%0.59755%0.553SS**Hα-helixtrans-71-38.3-178.7-145.4103.7000111.2A375 S376 D377 V382 F383A375-L379 HydrophobicContact CB-CB 4.31Å; A375-L379 HydrophobicContact CB-CD2 4.23Å; S376-L379 WeakPolarHBondContact O-CB 3.39Å; S376-L379 PolarHBondContact O-N 3.44Å; D377-L379 PolarHBondContact O-N 3.27Å; L379-V382 PolarHBondContact O-N 2.96Å; L379-F383 WeakPolarHBondContact O-CB 3.25Å; L379-F383 PolarHBondContact O-N 2.9Å
380V76.9Confident69Low28 Ų2898.2 Ų98.217%0.1754%0.541CS..Hα-helixtrans-64.1-44175.2179.60000110.1L372 A375 S376 D377 F383 Q384L372-V380 HydrophobicContact CD2-CG2 4.46Å; A375-V380 HydrophobicContact CB-CG2 3.82Å; S376-V380 PolarHBondContact O-N 3.25Å; S376-V380 VanDerWaalsContact O-N 3.14Å; D377-V380 PolarHBondContact O-N 3.07Å; V380-F383 PolarHBondContact O-N 3.42Å; V380-Q384 HydrophobicContact CG1-CG 4.39Å; V380-Q384 WeakPolarHBondContact O-CB 3.31Å; V380-Q384 WeakPolarHBondContact O-CG 3.37Å; V380-Q384 PolarHBondContact O-N 3.48Å
381N78.8Confident69.4Low96 Ų96100.4 Ų100.451%0.51354%0.536SS..Hα-helixtrans-63.3-42176.4-78.1-26.7000112.1D377 D378 F383 Q384 H385D377-N381 WeakPolarHBondContact O-CB 3.44Å; D377-N381 VanDerWaalsContact O-CG 3.27Å; D377-N381 PolarHBondContact O-N 3.35Å; D377-N381 PolarHBondContact O-ND2 2.88Å; D378-N381 PolarHBondContact O-N 2.69Å; N381-F383 VanDerWaalsContact C-N 3.33Å; N381-F383 PolarHBondContact O-N 3.26Å; N381-Q384 PolarHBondContact O-N 2.94Å; N381-H385 WeakPolarHBondContact O-CB 3.35Å; N381-H385 PolarHBondContact O-N 3.42Å
382V78.6Confident69.7Low102 Ų10298.6 Ų98.662%0.61853%0.527SS*.Hα-helixtrans-61.9-42.5174.8170.30000111D378 L379 H385 K386D378-V382 VanDerWaalsContact O-CG2 3.28Å; D378-V382 WeakPolarHBondContact O-CG2 3.44Å; D378-V382 PolarHBondContact O-N 3.31Å; L379-V382 PolarHBondContact O-N 2.96Å; V382-H385 PolarHBondContact O-N 3.41Å; V382-K386 WeakPolarHBondContact O-CB 3.1Å; V382-K386 PolarHBondContact O-N 2.79Å
383F76.4Confident69.8Low113 Ų113100.3 Ų100.350%0.49653%0.531SS..Hα-helixtrans-67.8-43.7179.7-167.6-104.9000112L379 V380 N381 K386 I387L379-F383 WeakPolarHBondContact O-CB 3.25Å; L379-F383 PolarHBondContact O-N 2.9Å; V380-F383 PolarHBondContact O-N 3.42Å; N381-F383 VanDerWaalsContact C-N 3.33Å; N381-F383 PolarHBondContact O-N 3.26Å; F383-K386 PolarHBondContact O-N 2.84Å; F383-I387 HydrophobicContact CD1-CD1 3.58Å; F383-I387 HydrophobicContact CD1-CG1 4.45Å; F383-I387 HydrophobicContact CE1-CD1 3.24Å; F383-I387 HydrophobicContact CE1-CG1 4.27Å; F383-I387 HydrophobicContact CG-CD1 4.44Å; F383-I387 HydrophobicContact CZ-CD1 3.84Å; F383-I387 WeakPolarHBondContact O-CG1 3.24Å; F383-I387 PolarHBondContact O-N 3.06Å
384Q79.2Confident69.6Low119 Ų119101.3 Ų101.356%0.55653%0.527SS*.Hα-helixtrans-64.6-41.5174.9-73.1-174.78.600112V380 N381 I387 A388V380-Q384 HydrophobicContact CG1-CG 4.39Å; V380-Q384 WeakPolarHBondContact O-CB 3.31Å; V380-Q384 WeakPolarHBondContact O-CG 3.37Å; V380-Q384 PolarHBondContact O-N 3.48Å; N381-Q384 PolarHBondContact O-N 2.94Å; Q384-I387 PolarHBondContact O-N 3.03Å; Q384-A388 WeakPolarHBondContact O-CB 3.44Å; Q384-A388 PolarHBondContact O-N 3.3Å
385H74.1Confident69.3Low131 Ų131101.2 Ų101.261%0.60652%0.518SS*.Hα-helixtrans-63.2-42.7175.4-173.4-81.8000111.2N381 V382 A388 C389N381-H385 WeakPolarHBondContact O-CB 3.35Å; N381-H385 PolarHBondContact O-N 3.42Å; V382-H385 PolarHBondContact O-N 3.41Å; H385-A388 PolarHBondContact O-N 2.86Å; H385-C389 PolarHBondContact CE1-SG 3.08Å; H385-C389 PolarHBondContact ND1-SG 3.49Å; H385-C389 VanDerWaalsContact ND1-SG 3.44Å; H385-C389 WeakPolarHBondContact O-CB 3.36Å; H385-C389 PolarHBondContact O-N 3.5Å; H385-C389 PolarHBondContact O-SG 2.85Å
386K78Confident68.8Low128 Ų128104.8 Ų104.856%0.55754%0.54SS*.Hα-helixtrans-61.7-46.6176.2-174173.2-178.1177.20111.7V382 F383 A388 C389 D390V382-K386 WeakPolarHBondContact O-CB 3.1Å; V382-K386 PolarHBondContact O-N 2.79Å; F383-K386 PolarHBondContact O-N 2.84Å; K386-A388 VanDerWaalsContact C-N 3.35Å; K386-A388 PolarHBondContact O-N 2.65Å; K386-C389 PolarHBondContact O-N 3.34Å; K386-D390 WeakPolarHBondContact O-CB 3.49Å; K386-D390 VanDerWaalsContact O-CG 3.29Å; K386-D390 PolarHBondContact O-N 2.94Å
387I76.2Confident67.4Low68 Ų68108.3 Ų108.335%0.34955%0.553SS.*Hα-helixtrans-59.3-47.1175.3-72.4173.7000110.5F383 Q384 C389 D390 Y391F383-I387 HydrophobicContact CD1-CD1 3.58Å; F383-I387 HydrophobicContact CD1-CG1 4.45Å; F383-I387 HydrophobicContact CE1-CD1 3.24Å; F383-I387 HydrophobicContact CE1-CG1 4.27Å; F383-I387 HydrophobicContact CG-CD1 4.44Å; F383-I387 HydrophobicContact CZ-CD1 3.84Å; F383-I387 WeakPolarHBondContact O-CG1 3.24Å; F383-I387 PolarHBondContact O-N 3.06Å; Q384-I387 PolarHBondContact O-N 3.03Å; I387-C389 VanDerWaalsContact C-N 3.34Å; I387-C389 PolarHBondContact O-N 3.17Å; I387-D390 PolarHBondContact O-N 3.42Å; I387-Y391 HydrophobicContact CG2-CD2 3.5Å; I387-Y391 HydrophobicContact CG2-CE2 3.58Å; I387-Y391 VanDerWaalsContact O-CD2 3.23Å; I387-Y391 WeakPolarHBondContact O-CD2 3.36Å; I387-Y391 PolarHBondContact O-N 3.27Å
388A69.7Low65.8Low57 Ų57110.3 Ų110.347%0.47157%0.571SS.*Hα-helixtrans-62.9-39.1178.800000112.5Q384 H385 K386 S392Q384-A388 WeakPolarHBondContact O-CB 3.44Å; Q384-A388 PolarHBondContact O-N 3.3Å; H385-A388 PolarHBondContact O-N 2.86Å; K386-A388 VanDerWaalsContact C-N 3.35Å; K386-A388 PolarHBondContact O-N 2.65Å; A388-S392 WeakPolarHBondContact O-CB 3.45Å; A388-S392 PolarHBondContact O-N 3.36Å; A388-S392 PolarHBondContact O-OG 3.29Å
389C66.4Low65.2Low54 Ų54109.7 Ų109.737%0.36557%0.566SS.*Hα-helixtrans-63.9-45173.2-74.60000112H385 K386 I387 S392 F393H385-C389 PolarHBondContact CE1-SG 3.08Å; H385-C389 PolarHBondContact ND1-SG 3.49Å; H385-C389 VanDerWaalsContact ND1-SG 3.44Å; H385-C389 WeakPolarHBondContact O-CB 3.36Å; H385-C389 PolarHBondContact O-N 3.5Å; H385-C389 PolarHBondContact O-SG 2.85Å; K386-C389 PolarHBondContact O-N 3.34Å; I387-C389 VanDerWaalsContact C-N 3.34Å; I387-C389 PolarHBondContact O-N 3.17Å; C389-S392 VanDerWaalsContact CA-OG 3.31Å; C389-S392 WeakPolarHBondContact CA-OG 3.28Å; C389-S392 PolarHBondContact O-N 3.37Å; C389-S392 PolarHBondContact O-OG 2.9Å; C389-S392 VanDerWaalsContact O-OG 3.07Å; C389-F393 PolarHBondContact O-N 3.22Å
390D63.5Low64.7Low86 Ų86109.5 Ų109.546%0.4657%0.565SS.*Hα-helixtrans-63.6-44.5178.4-70.2-15000110K386 I387 F393 W394K386-D390 WeakPolarHBondContact O-CB 3.49Å; K386-D390 VanDerWaalsContact O-CG 3.29Å; K386-D390 PolarHBondContact O-N 2.94Å; I387-D390 PolarHBondContact O-N 3.42Å; D390-F393 WeakPolarHBondContact O-CB 3.37Å; D390-F393 PolarHBondContact O-N 3.32Å; D390-W394 PolarHBondContact O-N 2.92Å
391Y58.3Low64Low157 Ų157114 Ų11462%0.61659%0.587SS**Hα-helixtrans-66.8-36176.8-85.4-73.4000113.6I387 W394 L395I387-Y391 HydrophobicContact CG2-CD2 3.5Å; I387-Y391 HydrophobicContact CG2-CE2 3.58Å; I387-Y391 VanDerWaalsContact O-CD2 3.23Å; I387-Y391 WeakPolarHBondContact O-CD2 3.36Å; I387-Y391 PolarHBondContact O-N 3.27Å; Y391-W394 PolarHBondContact O-N 3.47Å; Y391-L395 PolarHBondContact O-N 3.03Å
392S56.8Low63.1Low57 Ų57115.1 Ų115.140%0.39959%0.591SS.*Hα-helixtrans-72.1-29.7176.545.20000112.8A388 C389 W394 L395 C396A388-S392 WeakPolarHBondContact O-CB 3.45Å; A388-S392 PolarHBondContact O-N 3.36Å; A388-S392 PolarHBondContact O-OG 3.29Å; C389-S392 VanDerWaalsContact CA-OG 3.31Å; C389-S392 WeakPolarHBondContact CA-OG 3.28Å; C389-S392 PolarHBondContact O-N 3.37Å; C389-S392 PolarHBondContact O-OG 2.9Å; C389-S392 VanDerWaalsContact O-OG 3.07Å; S392-W394 VanDerWaalsContact C-N 3.27Å; S392-W394 PolarHBondContact O-N 3.2Å; S392-L395 PolarHBondContact O-N 3.49Å; S392-C396 PolarHBondContact O-N 2.7Å
393F53.7Low62.1Low143 Ų143115.9 Ų115.963%0.62759%0.589SS**Hα-helixtrans-59.5-38.9169.2-173.9-96.6000111.6C389 D390C389-F393 PolarHBondContact O-N 3.22Å; D390-F393 WeakPolarHBondContact O-CB 3.37Å; D390-F393 PolarHBondContact O-N 3.32Å
394W49.3Very low61.2Low197 Ų197116.1 Ų116.175%0.74660%0.596SS**Hα-helixtrans-77.6-18.7177.9-68110.4000115D390 Y391 S392D390-W394 PolarHBondContact O-N 2.92Å; Y391-W394 PolarHBondContact O-N 3.47Å; S392-W394 VanDerWaalsContact C-N 3.27Å; S392-W394 PolarHBondContact O-N 3.2Å
395L53.9Low59.9Low121 Ų121115.9 Ų115.963%0.63460%0.598SS**Hα-helixtrans-94.4-16.2-176.7-87.9155.2000114.1Y391 S392Y391-L395 PolarHBondContact O-N 3.03Å; S392-L395 PolarHBondContact O-N 3.49Å
396C51.6Low58.8Low105 Ų105114.7 Ų114.771%0.70960%0.598SS**THydrogen-bonded Turntrans-87.7-5-179.7-72.40000114.6S392S392-C396 PolarHBondContact O-N 2.7Å
397D43.5Very low57.2Low143 Ų143113.6 Ų113.677%0.76560%0.601SS**THydrogen-bonded Turntrans-10621.4179.1-80.7-11000113.7
398T43.6Very low55.5Low175 Ų175117.7 Ų117.7100%1.07462%0.624SS**  trans-1230164.649.30000110.2

Retrieved 398 of 398 residues in 266.3 ms (Link to these results)