A0A077Z2F1_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase

Hydrolase that can specifically remove 'Lys-48'-linked conjugated ubiquitin from proteins. Has exodeubiquitinase activity and has a preference for long polyubiquitin chains. May play a regulatory role at the level of protein turnover.

AlphaFold DB , UniProt , Accession A0A077Z2F1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 443 aa.

Structure Viewer
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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
1M41.5Very low48.4Very low244 Ų244149.6 Ų149.6100%1.20281%0.814SS**  0132.60-77.8-179.2132.500106.7
2P58.3Low47.9Very low110 Ų110149.6 Ų149.671%0.71482%0.822SS**  trans-104.8-169.7-148.237.9-26.3000113.8
3D52.5Low47Very low145 Ų145148.8 Ų148.878%0.77582%0.816SS**  trans112.597.4164-54.6-23.7000112.8
4V58Low46.4Very low123 Ų123147.6 Ų147.675%0.74582%0.821SS**  83.8104.353.2-178.20000113.2
5D48.9Very low45.6Very low145 Ų145147.9 Ų147.978%0.77582%0.821SS**  trans53.5155.7135.4-77.1-36.4000125.8
6D50.9Low45.3Very low142 Ų142153.6 Ų153.676%0.75983%0.826SS**  trans98.4131.3155.3-78.2-29.8000117.3
7S46.5Very low44.8Very low91 Ų91154.1 Ų154.164%0.63683%0.828SS**  cis136.1126.66.2-88.40000105.5
8D49.7Very low44.5Very low152 Ų152155.9 Ų155.981%0.81383%0.831SS**  trans145.7105.4144.8-84.9-21.5000111.2
9K44.4Very low44.1Very low194 Ų194156.4 Ų156.484%0.84383%0.833SS**  55.8109.271.4-72.8-169.2179.8177.40115.2
10S43.2Very low43.7Very low122 Ų122157.1 Ų157.185%0.85383%0.834SS**  173.8130.2108.159.20000112.7
11E38.8Very low43.4Very low178 Ų178156.6 Ų156.683%0.83283%0.831SS**  trans-70155.4170.9-56.4164.8141.900111.8
12T41.8Very low43Very low149 Ų149152.8 Ų152.891%0.91481%0.814SS**  178.3146.7115.224.50000113.6
13N36.5Very low42.4Very low139 Ų139153.4 Ų153.474%0.74382%0.818SS**  trans-97.4144.8-169.5-168.97.7000110.2
14C39Very low41.7Very low132 Ų132153.8 Ų153.889%0.89282%0.82SS**  trans-161.5105.9159.5-113.60000112.6
15N34.2Very low40.4Very low153 Ų153157 Ų15782%0.81883%0.827SS**  trans-69.1142.6162.5-80.1-27000111.2
16R40.3Very low40Very low239 Ų239155.3 Ų155.390%0.90282%0.824SS**  trans-153.8117.1152.6-137.9173.7-177.2171.4-0.8111.8
17N36.9Very low39.3Very low161 Ų161153.9 Ų153.986%0.86183%0.825SS**  trans-65.6136165.3-78-22.1000110.6
18E39.3Very low38.5Very low187 Ų187156.1 Ų156.187%0.87484%0.835SS**  trans-143.5115.2149.8-73.9-166.9127.300110.5
19N37.1Very low38Very low165 Ų165154.5 Ų154.588%0.88283%0.833SS**  trans-58.9133.7158.5-89.4-26.8000109.2
20M36.3Very low37.2Very low170 Ų170150.7 Ų150.784%0.83783%0.83SS**  trans-163.4113.6150.5-114.4-176.270.900113.9
21L37.8Very low36.9Very low148 Ų148150.6 Ų150.678%0.77583%0.83SS**  trans53.2119.4138.2-86.989.1000121.8
22L32.3Very low36.6Very low163 Ų163147.4 Ų147.485%0.85383%0.827SS**PPolyproline II helixtrans-53.5143.4150.6-66.2162.7000111.6
23P46Very low36.4Very low123 Ų123145.2 Ų145.280%0.79982%0.824SS**PPolyproline II helixtrans-97.7133.2159.911.37.6000112
24N38.9Very low36.4Very low153 Ų153148.2 Ų148.282%0.81883%0.831SS**PPolyproline II helixtrans-57.1155.5173.8-66.9-48.6000114.6
25E30.3Very low36.1Very low191 Ų191149.4 Ų149.489%0.89382%0.823SS**PPolyproline II helixtrans-50.3149.6155.4-69.5-175.7126.600112
26P39.8Very low36.2Very low109 Ų109152 Ų15271%0.70883%0.827SS**  trans-134.1121.8142.731.4-14.8000113.3
27S35.8Very low35.8Very low112 Ų112147.5 Ų147.578%0.78382%0.817SS**  60.6110119.1-38.70000119.6
28V30.5Very low35.7Very low139 Ų139148.5 Ų148.584%0.84282%0.816SS**  trans-55.5143.5157.5-178.80000111.7
29P38.1Very low35.4Very low117 Ų117145.4 Ų145.476%0.7681%0.812SS**  trans-116.3132.2147.533.2-21.5000111.6
30S28.9Very low35.7Very low114 Ų114144.3 Ų144.380%0.79781%0.811SS**  trans-62.9138.9167.4450000111.8
31S36.8Very low35.4Very low120 Ų120140.6 Ų140.684%0.83981%0.807SS**  trans-146.8114.4154.5-179.20000110.6
32S32.1Very low35.3Very low112 Ų112139.8 Ų139.878%0.78381%0.813SS**  trans-60.7136.6176.3-48.90000113.3
33A36.9Very low35.2Very low103 Ų103136.6 Ų136.685%0.85180%0.804SS**  trans-139.1127.915100000109
34K36.9Very low35Very low201 Ų201137.9 Ų137.987%0.87481%0.81SS**  trans-83.7145-164.6-70.7171.1171.3177.40113
35H33.2Very low35Very low157 Ų157136.8 Ų136.873%0.72781%0.809SS**  trans16.6130.5148.5-75.1-31.7000121.5
36F35.8Very low35.6Very low209 Ų209132.9 Ų132.992%0.91780%0.8SS**  -145.3117.2117.4-130.5-94000110
37E33.2Very low35.8Very low144 Ų144133.9 Ų133.967%0.67381%0.806SS**  trans-79.3151.5173-71.8173.8133.900111.4
38Q33.3Very low35.7Very low182 Ų182133.4 Ų133.485%0.8580%0.803SS**  -174.2119.2126.2-104.7175.96.700111.1
39P32.8Very low36.1Very low122 Ų122132.6 Ų132.679%0.79280%0.798SS**  trans-105.5140.9159.734.3-23.3000110.5
40V44.7Very low36.1Very low141 Ų141135.3 Ų135.386%0.85580%0.801SS**  trans-107.6115.8171.1-175.90000108.7
41A29.8Very low36.4Very low92 Ų92136.6 Ų136.676%0.7680%0.799SS**  trans-84.7151.3168.400000110.7
42C34.7Very low36.5Very low132 Ų132138.7 Ų138.789%0.89280%0.801SS**  trans-145.7117.9146.9-155.30000110.5
43S31.3Very low36.6Very low96 Ų96142.1 Ų142.167%0.67180%0.804SS**  trans-84.7148.3177.250.50000112
44T41.2Very low36.8Very low149 Ų149142.4 Ų142.491%0.91480%0.797SS**  trans-155133.2136.410.30000111.4
45T38.1Very low36.7Very low130 Ų130137.9 Ų137.980%0.79879%0.791SS**  trans-84.8164.4-168.237.10000115.2
46P44.1Very low36.9Very low110 Ų110135 Ų13571%0.71480%0.795SS**  trans-96.7-177.117940-33.6000112.7
47P43.7Very low37Very low129 Ų129130.4 Ų130.484%0.83879%0.788SS**  trans-133.7163.5145.934.7-18.9000114.9
48S33.6Very low37.2Very low102 Ų102128.9 Ų128.971%0.71379%0.793SS**  trans-104.5-178.2-166.2-48.70000113.7
49V38.9Very low37.6Very low122 Ų122125.7 Ų125.774%0.73979%0.791SS**  trans77.7138.5158.4-1280000114.8
50E37.3Very low37.7Very low175 Ų175128.3 Ų128.382%0.81879%0.79SS**  cis-172158.833.7-155.9153.8-137.100111.6
51N35.4Very low37.6Very low141 Ų141128.5 Ų128.575%0.75479%0.792SS**  trans-62.3154.1-176.3-64.2-52.8000115.6
52N39.2Very low38Very low164 Ų164129.8 Ų129.888%0.87779%0.786SS**  172.9116.7127.1-86.5-30.9000112.9
53E35.4Very low38.1Very low183 Ų183128.9 Ų128.986%0.85578%0.778SS**  trans-66171.3150.3-95.9-166.8138.100110.2
54P40.3Very low38.6Very low109 Ų109130.2 Ų130.271%0.70879%0.785SS**  cis-152.5-173.835.737.3-12000118.1
55S35.9Very low38.2Very low106 Ų106130.6 Ų130.674%0.74178%0.781SS**  trans99.4102.5141.4-60.20000121.4
56A36.2Very low38.2Very low98 Ų98133.3 Ų133.381%0.8178%0.782SS**  65.8118.7120.200000121.8
57S39Very low37.6Very low112 Ų112137.1 Ų137.178%0.78379%0.79SS**  -179120.9109.3580000113.7
58S36.7Very low37Very low111 Ų111136.6 Ų136.678%0.77679%0.785SS**  trans15.913415062.80000120.5
59S41.6Very low36.9Very low116 Ų116136.1 Ų136.181%0.81179%0.787SS**  -171.7122.378.533.90000114.2
60F33.9Very low36.8Very low176 Ų176139 Ų13977%0.77279%0.792SS**  trans11.6114.2139.1-138-92.7000120.8D62F60-D62 VanDerWaalsContact CE1-OD2 3.32Å; F60-D62 WeakPolarHBondContact CE1-OD2 3.42Å
61V43.5Very low36.5Very low145 Ų145139.3 Ų139.388%0.87979%0.793SS**  trans-152.7125.7135.6-176.90000108.7
62D37.4Very low36.6Very low119 Ų119136.7 Ų136.764%0.63679%0.791SS**PPolyproline II helixtrans-69.2160.4-177.4-78-50.6000115.2F60F60-D62 VanDerWaalsContact CE1-OD2 3.32Å; F60-D62 WeakPolarHBondContact CE1-OD2 3.42Å
63P38.7Very low36.4Very low114 Ų114136.8 Ų136.874%0.7479%0.792SS**PPolyproline II helixtrans-96.9161.9-162.738.1-32.8000113.8
64P40.4Very low36.8Very low123 Ų123135.6 Ų135.680%0.79979%0.786SS**PPolyproline II helixtrans-104121.9158.232.5-20.6000111.3K66P64-K66 PolarHBondContact O-N 3.1Å
65D32.4Very low37.1Very low157 Ų157134.9 Ų134.984%0.8478%0.782SS**  trans-41.9117.3153.9-88-46.8000111.4
66K38.5Very low37.6Very low187 Ų187140.4 Ų140.481%0.81379%0.788SS**  trans-143.996.2148.2-80.3-164.1178.5175.80110P64 T68P64-K66 PolarHBondContact O-N 3.1Å; K66-T68 PolarHBondContact O-N 3.46Å; K66-T68 PolarHBondContact O-OG1 3.07Å
67Q30.8Very low38.4Very low191 Ų191138.4 Ų138.489%0.89377%0.765SS**  trans-36.1106.2150.2-68.5163-14.700109.8
68T31Very low39.3Very low117 Ų117138.4 Ų138.472%0.71876%0.76SS**  trans-126.581.8157.626.30000104.7K66 H70K66-T68 PolarHBondContact O-N 3.46Å; K66-T68 PolarHBondContact O-OG1 3.07Å; T68-H70 PolarHBondContact O-N 2.82Å
69A32.9Very low40.9Very low92 Ų92138.6 Ų138.676%0.7675%0.752SS**  trans-60.2107.6161.600000105.8E71A69-E71 PolarHBondContact O-N 2.74Å
70H36.2Very low43Very low182 Ų182134.5 Ų134.584%0.84372%0.721SS**  trans-62.995.2159.8-83.2-91.3000106.1T68 A72T68-H70 PolarHBondContact O-N 2.82Å; H70-A72 PolarHBondContact O-N 2.86Å
71E32.1Very low45.7Very low183 Ų183130.9 Ų130.986%0.85571%0.709SS**  trans-56.2107159-75.4176.5162.700105.8A69 D73A69-E71 PolarHBondContact O-N 2.74Å; E71-D73 PolarHBondContact O-N 3.43Å
72A36.5Very low48.1Very low85 Ų85124 Ų12470%0.70267%0.667SS**  trans-60.4125.517000000107.3H70 E74H70-A72 PolarHBondContact O-N 2.86Å; A72-E74 PolarHBondContact O-N 2.89Å
73D35.6Very low50.8Low167 Ų167121.2 Ų121.289%0.89365%0.651SS**  trans-57.888.4167.7-75.6-43.8000108.6E71E71-D73 PolarHBondContact O-N 3.43Å
74E43.3Very low53.6Low158 Ų158116.2 Ų116.274%0.73862%0.618SS**  trans-60.2121.7161.1-87-72.5168.200106.7A72 Y76A72-E74 PolarHBondContact O-N 2.89Å; E74-Y76 PolarHBondContact O-N 3.23Å
75P45.5Very low56.2Low94 Ų94110.8 Ų110.861%0.6158%0.582SS**  trans-63.1111.9175.927.2-30.4000105.9V77P75-V77 PolarHBondContact O-N 2.72Å
76Y46.8Very low59.2Low222 Ų222106.9 Ų106.987%0.87156%0.555SS**  trans-52.498.3167.3-93.6-98.1000106.7E74 V78E74-Y76 PolarHBondContact O-N 3.23Å; Y76-V78 PolarHBondContact O-N 2.92Å
77V53.8Low61.9Low55 Ų5598.3 Ų98.333%0.33352%0.519SS..  trans-63.399166.5-175.40000103.2P75 N79 T132P75-V77 PolarHBondContact O-N 2.72Å; V77-N79 PolarHBondContact O-N 3.42Å; V77-N79 VanDerWaalsContact O-N 3.08Å; V77-T132 HydrophobicContact CB-CG2 4.44Å; V77-T132 HydrophobicContact CG1-CG2 3.91Å
78V58.1Low64.9Low113 Ų11393.5 Ų93.569%0.68550%0.495SS*.  trans-49.9123.8174.7179.70000104.9Y76 L80Y76-V78 PolarHBondContact O-N 2.92Å; V78-L80 PolarHBondContact O-N 3.39Å
79N69.8Low67.9Low114 Ų11488.6 Ų88.661%0.6146%0.463SS*.  trans-6771.7174.8-78.1-39.7000107.8V77V77-N79 PolarHBondContact O-N 3.42Å; V77-N79 VanDerWaalsContact O-N 3.08Å
80L85.9Confident70.7Confident30 Ų3090.8 Ų90.816%0.15745%0.453CS..  trans-69.7130.7177.1-172.865.4000107V78 P104 A130 A131V78-L80 PolarHBondContact O-N 3.39Å; L80-P104 HydrophobicContact CD2-CB 3.88Å; L80-P104 HydrophobicContact CD2-CG 3.71Å; L80-A130 CarbonylContact O-C 3.44Å; L80-A131 HydrophobicContact CB-CB 4.03Å; L80-A131 PolarHBondContact O-N 2.99Å
81I91.3Very high73.2Confident100 Ų10088.1 Ų88.151%0.51345%0.445SS..EExtended strand (participates in β ladder)trans-113.8125.1-172.9-66.8174.1000107.6V128I81-V128 HydrophobicContact CG2-CB 4.15Å; I81-V128 HydrophobicContact CG2-CG1 3.14Å
82H93.4Very high76Confident1 Ų184.4 Ų84.41%0.00542%0.423CS..EExtended strand (participates in β ladder)trans-106.8133.7-179.9-60.5-72000110.5A97 T98 V128 V129H82-A97 HydrophobicContact CB-CB 4.35Å; H82-T98 PolarHBondContact ND1-O 3.49Å; H82-V128 WeakPolarHBondContact O-CA 3.18Å; H82-V128 VanDerWaalsContact O-CG1 3.29Å; H82-V128 WeakPolarHBondContact O-CG1 3.46Å; H82-V129 HydrophobicContact CB-CG1 3.97Å; H82-V129 PolarHBondContact N-O 3.46Å; H82-V129 PolarHBondContact O-N 2.8Å
83Q94.9Very high78.8Confident61 Ų6184.4 Ų84.429%0.28542%0.416SS..EExtended strand (participates in β ladder)trans-73.4139.6171.4-63.1-68.7-28.500109.9T98 E127 Q315 L318Q83-T98 WeakPolarHBondContact CB-OG1 3.24Å; Q83-T98 PolarHBondContact O-N 2.97Å; Q83-T98 PolarHBondContact O-OG1 3.35Å; Q83-E127 PolarHBondContact OE1-O 3.4Å; Q83-Q315 HydrophobicContact CG-CG 4.37Å; Q83-Q315 VanDerWaalsContact CG-NE2 3.32Å; Q83-L318 HydrophobicContact CB-CD1 4.09Å; Q83-L318 HydrophobicContact CB-CD2 3.74Å; Q83-L318 HydrophobicContact CG-CD2 3.94Å
84V96.1Very high81.7Confident9 Ų976.6 Ų76.66%0.05537%0.374CS..EExtended strand (participates in β ladder)trans-100.8125.2179.2177.10000109P95 I96 L122 T126 E127 V129V84-P95 HydrophobicContact CG1-CB 3.46Å; V84-P95 VanDerWaalsContact CG1-CB 3.46Å; V84-I96 WeakPolarHBondContact CA-O 3.48Å; V84-L122 HydrophobicContact CG2-CD1 4.19Å; V84-T126 VanDerWaalsContact CB-O 3.32Å; V84-T126 WeakPolarHBondContact CB-O 3.47Å; V84-T126 VanDerWaalsContact CG1-O 3.31Å; V84-T126 WeakPolarHBondContact CG1-O 3.49Å; V84-T126 HydrophobicContact CG2-CG2 4.13Å; V84-E127 PolarHBondContact N-O 2.9Å; V84-V129 HydrophobicContact CG2-CB 4Å; V84-V129 HydrophobicContact CG2-CG1 3.75Å
85K95.5Very high84.2Confident8 Ų869.5 Ų69.54%0.03534%0.341CS..EExtended strand (participates in β ladder)trans-103128.3171.8-176.2178.6178.4171.20108.8V87 I96 T98 F317 L318 E320 Y323K85-V87 HydrophobicContact CD-CG1 4.15Å; K85-V87 HydrophobicContact CG-CG1 4.05Å; K85-I96 HydrophobicContact CB-CD1 4.4Å; K85-I96 HydrophobicContact CB-CG1 3.84Å; K85-I96 HydrophobicContact CD-CD1 4.31Å; K85-I96 HydrophobicContact CG-CG1 4.46Å; K85-I96 PolarHBondContact N-O 3.47Å; K85-I96 WeakPolarHBondContact O-CG1 2.93Å; K85-I96 PolarHBondContact O-N 2.99Å; K85-T98 HydrophobicContact CB-CG2 3.99Å; K85-F317 WeakPolarHBondContact CE-O 3.26Å; K85-F317 PolarHBondContact NZ-O 3.48Å; K85-L318 HydrophobicContact CB-CD1 3.84Å; K85-L318 HydrophobicContact CG-CD1 4.45Å; K85-E320 WeakPolarHBondContact CE-O 3.49Å; K85-E320 PolarHBondContact NZ-O 3.03Å; K85-Y323 PolarHBondContact NZ-O 3.41Å
86W95.6Very high86.6Confident76 Ų7665 Ų6529%0.28831%0.312SS..EExtended strand (participates in β ladder)trans-89122.5172.8-72.184.1000110P93 P95 P123 T126W86-P93 HydrophobicContact CE3-CB 4.13Å; W86-P93 HydrophobicContact CZ3-CB 4.39Å; W86-P95 HydrophobicContact CD2-CB 4.11Å; W86-P95 HydrophobicContact CE3-CB 4.2Å; W86-P95 HydrophobicContact CE3-CG 4.5Å; W86-P95 HydrophobicContact CH2-CB 4.03Å; W86-P95 HydrophobicContact CH2-CG 3.85Å; W86-P95 HydrophobicContact CZ2-CB 3.9Å; W86-P95 HydrophobicContact CZ2-CG 4.18Å; W86-P95 HydrophobicContact CZ3-CB 4.18Å; W86-P95 HydrophobicContact CZ3-CG 4.03Å; W86-P123 VanDerWaalsContact CZ2-O 3.27Å; W86-P123 WeakPolarHBondContact CZ2-O 3.32Å; W86-T126 PolarHBondContact NE1-O 3.26Å
87V94.8Very high88.9Confident7 Ų754.4 Ų54.44%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-121.5155.7178.8-60.40000110.3K85 V94 I96 V324K85-V87 HydrophobicContact CD-CG1 4.15Å; K85-V87 HydrophobicContact CG-CG1 4.05Å; V87-V94 WeakPolarHBondContact CG2-O 3.31Å; V87-V94 PolarHBondContact N-O 2.93Å; V87-V94 PolarHBondContact O-N 3.49Å; V87-I96 HydrophobicContact CG1-CD1 3.74Å; V87-I96 HydrophobicContact CG1-CG1 4.14Å; V87-I96 HydrophobicContact CG2-CD1 4.32Å; V87-I96 HydrophobicContact CG2-CG1 4.42Å; V87-I96 HydrophobicContact CG2-CG2 3.87Å; V87-V324 HydrophobicContact CB-CG1 4.14Å; V87-V324 HydrophobicContact CB-CG2 4.17Å; V87-V324 HydrophobicContact CG1-CG1 4.13Å; V87-V324 HydrophobicContact CG1-CG2 3.91Å; V87-V324 HydrophobicContact CG2-CG1 4.33Å
88K94.6Very high90.9Very high89 Ų8951.9 Ų51.939%0.38726%0.255SS..EExtended strand (participates in β ladder)trans-83.5132.6170.9-171.9-175.2174.3-153.60108.7N91 S340 D341K88-N91 WeakPolarHBondContact CE-OD1 3.46Å; K88-N91 PolarHBondContact NZ-OD1 2.91Å; K88-S340 PolarHBondContact N-OG 3.01Å; K88-S340 WeakPolarHBondContact O-CB 3.5Å; K88-S340 PolarHBondContact O-OG 3.15Å; K88-D341 IonicContact NZ-OD2 2.71Å; K88-D341 PolarHBondContact NZ-OD2 3.33Å
89W93.6Very high92.5Very high15 Ų1547.8 Ų47.86%0.05723%0.229CC..EExtended strand (participates in β ladder)trans-138114.6175.4-178.3-119.4000109.1N91 R92 V94 L116 L289 W325 F342W89-N91 VanDerWaalsContact C-N 3.29Å; W89-N91 PolarHBondContact O-N 2.95Å; W89-R92 PolarHBondContact N-O 3.48Å; W89-R92 WeakPolarHBondContact O-CB 3.31Å; W89-R92 PolarHBondContact O-N 3.49Å; W89-V94 HydrophobicContact CB-CB 4.25Å; W89-V94 HydrophobicContact CB-CG2 3.81Å; W89-L116 HydrophobicContact CB-CD2 4.03Å; W89-L116 VanDerWaalsContact CD1-O 3.3Å; W89-L116 HydrophobicContact CD2-CD2 3.77Å; W89-L116 HydrophobicContact CE3-CD2 4.33Å; W89-L116 HydrophobicContact CG-CD2 3.62Å; W89-L116 PolarHBondContact NE1-O 3.32Å; W89-L289 HydrophobicContact CH2-CD2 4.4Å; W89-L289 HydrophobicContact CZ2-CD1 4.36Å; W89-L289 HydrophobicContact CZ2-CD2 4.08Å; W89-W325 AromaticContact CE3-CZ2 3.9Å; W89-W325 HydrophobicContact CE3-CZ2 3.9Å; W89-W325 HydrophobicContact CH2-CH2 4.3Å; W89-W325 AromaticContact CH2-CZ2 3.64Å; W89-W325 HydrophobicContact CH2-CZ2 3.64Å; W89-W325 HydrophobicContact CZ2-CZ2 4.48Å; W89-W325 AromaticContact CZ3-CE2 3.67Å; W89-W325 HydrophobicContact CZ3-CH2 4.35Å; W89-W325 AromaticContact CZ3-CZ2 3.3Å; W89-W325 HydrophobicContact CZ3-CZ2 3.3Å; W89-W325 AromaticContact CZ3-NE1 3.62Å; W89-F342 HydrophobicContact CH2-CE2 4.29Å; W89-F342 HydrophobicContact CH2-CZ 4.04Å; W89-F342 AromaticContact CZ3-CE2 3.7Å; W89-F342 HydrophobicContact CZ3-CE2 3.7Å; W89-F342 AromaticContact CZ3-CZ 3.73Å; W89-F342 HydrophobicContact CZ3-CZ 3.73Å
90Y90.7Very high93.1Very high138 Ų13846.8 Ų46.854%0.54122%0.224SC..THydrogen-bonded Turntrans44.350.6-173-67.7-76.3000113.6R92Y90-R92 PolarHBondContact O-N 2.65Å
91N88.9Confident92.8Very high126 Ų12650.7 Ų50.767%0.67424%0.241SC*.THydrogen-bonded Turntrans63.69.6-176.6-62.6-35000116.5K88 W89K88-N91 WeakPolarHBondContact CE-OD1 3.46Å; K88-N91 PolarHBondContact NZ-OD1 2.91Å; W89-N91 VanDerWaalsContact C-N 3.29Å; W89-N91 PolarHBondContact O-N 2.95Å
92R92.5Very high92.1Very high104 Ų10453.7 Ų53.739%0.39226%0.258SS..EExtended strand (participates in β ladder)trans-104.2136.2171.9-171-178.472.2-158.92.2110.4W89 Y90 V94 L115 L116W89-R92 PolarHBondContact N-O 3.48Å; W89-R92 WeakPolarHBondContact O-CB 3.31Å; W89-R92 PolarHBondContact O-N 3.49Å; Y90-R92 PolarHBondContact O-N 2.65Å; R92-V94 HydrophobicContact CB-CG2 4.46Å; R92-V94 HydrophobicContact CG-CG2 4.32Å; R92-V94 VanDerWaalsContact NE-CG2 3.26Å; R92-V94 PolarHBondContact O-N 3.25Å; R92-L115 PolarHBondContact NH2-O 2.94Å; R92-L115 VanDerWaalsContact NH2-O 3.13Å; R92-L116 PolarHBondContact NH2-O 3.24Å
93P94.2Very high91.5Very high86 Ų8654.5 Ų54.556%0.55827%0.267SS*.EExtended strand (participates in β ladder)trans-68.8126.8165.929.2-32.4000109.4W86W86-P93 HydrophobicContact CE3-CB 4.13Å; W86-P93 HydrophobicContact CZ3-CB 4.39Å
94V95.7Very high91.2Very high2 Ų251.8 Ų51.81%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-129.5130179.8177.10000109V87 W89 R92 L115 L116V87-V94 WeakPolarHBondContact CG2-O 3.31Å; V87-V94 PolarHBondContact N-O 2.93Å; V87-V94 PolarHBondContact O-N 3.49Å; W89-V94 HydrophobicContact CB-CB 4.25Å; W89-V94 HydrophobicContact CB-CG2 3.81Å; R92-V94 HydrophobicContact CB-CG2 4.46Å; R92-V94 HydrophobicContact CG-CG2 4.32Å; R92-V94 VanDerWaalsContact NE-CG2 3.26Å; R92-V94 PolarHBondContact O-N 3.25Å; V94-L115 HydrophobicContact CG1-CB 4.18Å; V94-L115 WeakPolarHBondContact CG1-O 3.45Å; V94-L116 HydrophobicContact CG1-CD2 4.14Å
95P96.3Very high91Very high9 Ų951.8 Ų51.86%0.05826%0.255CS..EExtended strand (participates in β ladder)trans-77.9138172.229.3-27.3000109.8V84 W86 L115 L122V84-P95 HydrophobicContact CG1-CB 3.46Å; V84-P95 VanDerWaalsContact CG1-CB 3.46Å; W86-P95 HydrophobicContact CD2-CB 4.11Å; W86-P95 HydrophobicContact CE3-CB 4.2Å; W86-P95 HydrophobicContact CE3-CG 4.5Å; W86-P95 HydrophobicContact CH2-CB 4.03Å; W86-P95 HydrophobicContact CH2-CG 3.85Å; W86-P95 HydrophobicContact CZ2-CB 3.9Å; W86-P95 HydrophobicContact CZ2-CG 4.18Å; W86-P95 HydrophobicContact CZ3-CB 4.18Å; W86-P95 HydrophobicContact CZ3-CG 4.03Å; P95-L115 HydrophobicContact CG-CD2 4.19Å; P95-L115 WeakPolarHBondContact O-CB 3.4Å; P95-L115 WeakPolarHBondContact O-CD1 3.42Å; P95-L122 HydrophobicContact CB-CB 4.48Å; P95-L122 HydrophobicContact CB-CD1 4.15Å; P95-L122 HydrophobicContact CG-CB 3.91Å; P95-L122 HydrophobicContact CG-CD1 4.18Å; P95-L122 HydrophobicContact CG-CG 4.28Å
96I96.2Very high90.9Very high0 Ų051.4 Ų51.40%025%0.253CS..EExtended strand (participates in β ladder)trans-122.4134.6168.564.3173.6000108.6V84 K85 V87 N112 L311V84-I96 WeakPolarHBondContact CA-O 3.48Å; K85-I96 HydrophobicContact CB-CD1 4.4Å; K85-I96 HydrophobicContact CB-CG1 3.84Å; K85-I96 HydrophobicContact CD-CD1 4.31Å; K85-I96 HydrophobicContact CG-CG1 4.46Å; K85-I96 PolarHBondContact N-O 3.47Å; K85-I96 WeakPolarHBondContact O-CG1 2.93Å; K85-I96 PolarHBondContact O-N 2.99Å; V87-I96 HydrophobicContact CG1-CD1 3.74Å; V87-I96 HydrophobicContact CG1-CG1 4.14Å; V87-I96 HydrophobicContact CG2-CD1 4.32Å; V87-I96 HydrophobicContact CG2-CG1 4.42Å; V87-I96 HydrophobicContact CG2-CG2 3.87Å; I96-N112 WeakPolarHBondContact CA-OD1 3.5Å; I96-L311 HydrophobicContact CB-CD2 4.48Å; I96-L311 HydrophobicContact CD1-CD1 4.16Å; I96-L311 HydrophobicContact CD1-CD2 4.46Å; I96-L311 HydrophobicContact CD1-CG 4.38Å; I96-L311 HydrophobicContact CG2-CD2 4.18Å
97A95.5Very high90.9Very high0 Ų047.8 Ų47.80%024%0.24CC..EExtended strand (participates in β ladder)trans-82.8130.5175.200000109.9H82 L108 N112 V129 L134H82-A97 HydrophobicContact CB-CB 4.35Å; A97-L108 HydrophobicContact CB-CD2 3.57Å; A97-N112 PolarHBondContact N-OD1 3.43Å; A97-N112 PolarHBondContact O-ND2 3.06Å; A97-V129 HydrophobicContact CB-CG1 4.22Å; A97-L134 HydrophobicContact CB-CD1 4.4Å
98T95.1Very high90.9Very high1 Ų147.6 Ų47.61%0.00624%0.238CC..  trans-98.1163.2179.862.40000111.7H82 Q83 K85 T313 L318H82-T98 PolarHBondContact ND1-O 3.49Å; Q83-T98 WeakPolarHBondContact CB-OG1 3.24Å; Q83-T98 PolarHBondContact O-N 2.97Å; Q83-T98 PolarHBondContact O-OG1 3.35Å; K85-T98 HydrophobicContact CB-CG2 3.99Å; T98-T313 CarbonylContact C-O 3.59Å; T98-T313 WeakPolarHBondContact CA-O 3.37Å; T98-T313 WeakPolarHBondContact CB-O 3.38Å; T98-L318 HydrophobicContact CG2-CD1 4.34Å
99Q91.1Very high91Very high28 Ų2843.5 Ų43.513%0.13122%0.221CC..BIsolated β-bridgetrans-126.2146.8-179.969.3-170.2-1.900111.7L108 H297 T313 Q315Q99-L108 HydrophobicContact CB-CD1 3.54Å; Q99-H297 PolarHBondContact NE2-CE1 2.6Å; Q99-H297 PolarHBondContact NE2-NE2 2.92Å; Q99-H297 PolarHBondContact OE1-NE2 2.81Å; Q99-T313 PolarHBondContact N-O 3.46Å; Q99-T313 PolarHBondContact NE2-OG1 3.49Å; Q99-Q315 WeakPolarHBondContact O-CB 3.37Å; Q99-Q315 PolarHBondContact O-N 3.28Å
100N83.1Confident91.1Very high93 Ų9342.8 Ų42.850%0.49722%0.218SC..SBendtrans-123.9-20171.758.2-17.5000112.9Q315N100-Q315 HydrophobicContact CB-CB 4.41Å; N100-Q315 VanDerWaalsContact CB-OE1 3.31Å
101E78.8Confident91.4Very high111 Ų11136.2 Ų36.252%0.51919%0.193SC..SBendtrans-121.6147.9-176.5-67.9-177.6179.500110.8P104E101-P104 WeakPolarHBondContact O-CD 3.43Å
102N78.3Confident91.8Very high163 Ų16330.2 Ų30.287%0.87216%0.161SC*.SBendtrans-72.7142.5173.2-66.5-37.7000109.9P104N102-P104 VanDerWaalsContact C-CD 3.49Å
103G79.8Confident92.1Very high19 Ų1925.3 Ų25.320%0.19614%0.142CC..SBendtrans129.9-64.318000000113.9C105 P106 S171 T172G103-C105 PolarHBondContact O-N 3.32Å; G103-P106 WeakPolarHBondContact O-CD 3.36Å; G103-S171 CarbonylContact C-O 3.55Å; G103-T172 WeakPolarHBondContact CA-O 3.31Å
104P88.9Confident92.2Very high3 Ų321.2 Ų21.22%0.01912%0.115CC..  trans-75.33.1-172.133.9-41.1000114.3L80 E101 N102 P106 L107 L108 S171L80-P104 HydrophobicContact CD2-CB 3.88Å; L80-P104 HydrophobicContact CD2-CG 3.71Å; E101-P104 WeakPolarHBondContact O-CD 3.43Å; N102-P104 VanDerWaalsContact C-CD 3.49Å; P104-P106 VanDerWaalsContact C-N 3.34Å; P104-L107 WeakPolarHBondContact O-CB 3.5Å; P104-L107 PolarHBondContact O-N 2.94Å; P104-L107 VanDerWaalsContact O-N 3.13Å; P104-L108 HydrophobicContact CB-CD1 4.36Å; P104-L108 HydrophobicContact CB-CG 4.45Å; P104-L108 HydrophobicContact CG-CD1 4.23Å; P104-L108 WeakPolarHBondContact O-CG 3Å; P104-L108 PolarHBondContact O-N 3.01Å; P104-S171 WeakPolarHBondContact CA-O 3.15Å
105C92.2Very high92.3Very high9 Ų921.2 Ų21.26%0.06112%0.115CC..Hα-helixtrans-55.5-34.5-176.870.40000114.9G103 L108 A109 H297G103-C105 PolarHBondContact O-N 3.32Å; C105-L108 PolarHBondContact O-N 3.35Å; C105-A109 VanDerWaalsContact O-CB 3.26Å; C105-A109 WeakPolarHBondContact O-CB 3.4Å; C105-A109 PolarHBondContact O-N 3.39Å; C105-H297 WeakPolarHBondContact CB-NE2 3.32Å
106P93.7Very high92.3Very high1 Ų121 Ų211%0.00611%0.113CC..Hα-helixtrans-65.4-45.3175.4-13.928.3000111.8G103 P104 A109 I110 L170 L174 F298G103-P106 WeakPolarHBondContact O-CD 3.36Å; P104-P106 VanDerWaalsContact C-N 3.34Å; P106-A109 PolarHBondContact O-N 2.93Å; P106-I110 WeakPolarHBondContact O-CG1 3.14Å; P106-I110 PolarHBondContact O-N 3.27Å; P106-I110 VanDerWaalsContact O-N 3.09Å; P106-L170 HydrophobicContact CB-CD2 3.97Å; P106-L174 HydrophobicContact CB-CB 3.78Å; P106-L174 HydrophobicContact CB-CD2 4.3Å; P106-L174 HydrophobicContact CG-CB 3.6Å; P106-F298 HydrophobicContact CB-CD2 3.99Å; P106-F298 HydrophobicContact CB-CE2 4.25Å; P106-F298 HydrophobicContact CB-CG 4.29Å; P106-F298 HydrophobicContact CG-CD2 3.64Å; P106-F298 HydrophobicContact CG-CE2 3.81Å; P106-F298 HydrophobicContact CG-CG 4.4Å
107L94.5Very high92.2Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-59.1-49.2175.8178.463.5000110.7P104 A109 I110 C111 A131 L134 I135 V138 L170P104-L107 WeakPolarHBondContact O-CB 3.5Å; P104-L107 PolarHBondContact O-N 2.94Å; P104-L107 VanDerWaalsContact O-N 3.13Å; L107-A109 PolarHBondContact O-N 3.16Å; L107-I110 PolarHBondContact O-N 3.39Å; L107-C111 WeakPolarHBondContact O-CB 3.37Å; L107-C111 PolarHBondContact O-N 3.48Å; L107-C111 PolarHBondContact O-SG 3.42Å; L107-A131 HydrophobicContact CD2-CB 4.28Å; L107-L134 HydrophobicContact CD1-CB 4.29Å; L107-L134 HydrophobicContact CD2-CB 4.08Å; L107-L134 HydrophobicContact CD2-CD1 4.41Å; L107-L134 HydrophobicContact CG-CB 4.27Å; L107-I135 HydrophobicContact CD1-CG1 3.95Å; L107-I135 HydrophobicContact CD2-CD1 4.34Å; L107-I135 HydrophobicContact CD2-CG1 3.8Å; L107-V138 HydrophobicContact CD1-CG2 4.45Å; L107-L170 HydrophobicContact CB-CB 3.9Å; L107-L170 WeakPolarHBondContact CB-O 3.5Å; L107-L170 HydrophobicContact CD1-CB 4.43Å; L107-L170 PolarHBondContact N-O 3.06Å
108L95.5Very high92.1Very high2 Ų225.8 Ų25.81%0.0114%0.141CC..Hα-helixtrans-65.4-38.7-178.3-65.1176.9000112.4A97 Q99 P104 C105 C111 N112 L134A97-L108 HydrophobicContact CB-CD2 3.57Å; Q99-L108 HydrophobicContact CB-CD1 3.54Å; P104-L108 HydrophobicContact CB-CD1 4.36Å; P104-L108 HydrophobicContact CB-CG 4.45Å; P104-L108 HydrophobicContact CG-CD1 4.23Å; P104-L108 WeakPolarHBondContact O-CG 3Å; P104-L108 PolarHBondContact O-N 3.01Å; C105-L108 PolarHBondContact O-N 3.35Å; L108-C111 PolarHBondContact O-N 2.76Å; L108-N112 WeakPolarHBondContact O-CB 3.27Å; L108-N112 PolarHBondContact O-N 3.48Å; L108-N112 PolarHBondContact O-ND2 3.21Å; L108-L134 HydrophobicContact CD2-CD1 3.77Å
109A96.4Very high92.1Very high4 Ų429.6 Ų29.63%0.03316%0.161CC..Hα-helixtrans-62.2-44.5175.600000111.6C105 P106 L107 L113 V291 F298 V300C105-A109 VanDerWaalsContact O-CB 3.26Å; C105-A109 WeakPolarHBondContact O-CB 3.4Å; C105-A109 PolarHBondContact O-N 3.39Å; P106-A109 PolarHBondContact O-N 2.93Å; L107-A109 PolarHBondContact O-N 3.16Å; A109-L113 VanDerWaalsContact O-CB 3.23Å; A109-L113 WeakPolarHBondContact O-CB 3.39Å; A109-L113 PolarHBondContact O-N 2.79Å; A109-L113 VanDerWaalsContact O-N 3.12Å; A109-V291 HydrophobicContact CB-CG1 4.02Å; A109-V291 HydrophobicContact CB-CG2 4.28Å; A109-F298 HydrophobicContact CB-CB 3.82Å; A109-V300 HydrophobicContact CB-CG2 4.49Å; A109-V300 VanDerWaalsContact O-CG2 3.27Å; A109-V300 WeakPolarHBondContact O-CG2 3.49Å
110I96.3Very high92.2Very high0 Ų028.9 Ų28.90%016%0.159CC..Hα-helixtrans-63.2-53.2175.7-68.7169.1000110.3P106 L107 N112 L113 L114 V138 L170 I194 F195 L198 I200P106-I110 WeakPolarHBondContact O-CG1 3.14Å; P106-I110 PolarHBondContact O-N 3.27Å; P106-I110 VanDerWaalsContact O-N 3.09Å; L107-I110 PolarHBondContact O-N 3.39Å; I110-N112 PolarHBondContact O-N 3.13Å; I110-L113 PolarHBondContact O-N 3.1Å; I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.42Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.48Å; I110-L114 PolarHBondContact O-N 3.21Å; I110-V138 HydrophobicContact CG2-CG1 4.25Å; I110-V138 HydrophobicContact CG2-CG2 4.22Å; I110-L170 HydrophobicContact CD1-CD1 4.29Å; I110-L170 HydrophobicContact CD1-CD2 4.07Å; I110-I194 HydrophobicContact CD1-CD1 4.2Å; I110-I194 HydrophobicContact CD1-CG2 4.04Å; I110-F195 HydrophobicContact CD1-CD1 4.34Å; I110-F195 HydrophobicContact CD1-CE1 3.8Å; I110-F195 HydrophobicContact CD1-CZ 4.11Å; I110-F195 HydrophobicContact CG1-CD1 4.19Å; I110-F195 HydrophobicContact CG1-CE1 3.64Å; I110-F195 HydrophobicContact CG1-CZ 4.36Å; I110-L198 HydrophobicContact CG2-CD1 3.7Å; I110-I200 HydrophobicContact CB-CD1 4.39Å; I110-I200 HydrophobicContact CG1-CD1 4.31Å; I110-I200 HydrophobicContact CG2-CD1 3.88Å
111C96.5Very high92.8Very high0 Ų029.8 Ų29.80%017%0.168CC..Hα-helixtrans-60.2-48.7-177.9-69.70000112.1L107 L108 L113 L114 L115 L134 V138L107-C111 WeakPolarHBondContact O-CB 3.37Å; L107-C111 PolarHBondContact O-N 3.48Å; L107-C111 PolarHBondContact O-SG 3.42Å; L108-C111 PolarHBondContact O-N 2.76Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 2.68Å; C111-L114 PolarHBondContact O-N 3.31Å; C111-L115 WeakPolarHBondContact O-CB 3.16Å; C111-L115 WeakPolarHBondContact O-CG 3.39Å; C111-L115 PolarHBondContact O-N 3.21Å; C111-L134 HydrophobicContact CB-CD2 4.27Å; C111-V138 VanDerWaalsContact SG-CG2 3.5Å
112N97.5Very high93.5Very high0 Ų025.2 Ų25.20%015%0.147CC..Hα-helixtrans-62.3-39.5-179.7-73.4-21.9000112I96 A97 L108 I110 L115 L116 V300 L311 T313I96-N112 WeakPolarHBondContact CA-OD1 3.5Å; A97-N112 PolarHBondContact N-OD1 3.43Å; A97-N112 PolarHBondContact O-ND2 3.06Å; L108-N112 WeakPolarHBondContact O-CB 3.27Å; L108-N112 PolarHBondContact O-N 3.48Å; L108-N112 PolarHBondContact O-ND2 3.21Å; I110-N112 PolarHBondContact O-N 3.13Å; N112-L115 PolarHBondContact O-N 2.98Å; N112-L116 WeakPolarHBondContact O-CB 3.43Å; N112-L116 VanDerWaalsContact O-CG 3.24Å; N112-L116 WeakPolarHBondContact O-CG 3.39Å; N112-L116 PolarHBondContact O-N 3.2Å; N112-V300 HydrophobicContact CB-CG2 4.05Å; N112-L311 HydrophobicContact CB-CD2 3.76Å; N112-T313 WeakPolarHBondContact ND2-CG2 3.29Å
113L97.7Very high94.3Very high0 Ų021.5 Ų21.50%013%0.131CC..Hα-helixtrans-64-44.4175.1179.1155.6000111.5A109 I110 C111 L116 R117 I200 L289 V291 V300A109-L113 VanDerWaalsContact O-CB 3.23Å; A109-L113 WeakPolarHBondContact O-CB 3.39Å; A109-L113 PolarHBondContact O-N 2.79Å; A109-L113 VanDerWaalsContact O-N 3.12Å; I110-L113 PolarHBondContact O-N 3.1Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 2.68Å; L113-L116 PolarHBondContact O-N 3.19Å; L113-R117 HydrophobicContact CD2-CG 4.25Å; L113-R117 VanDerWaalsContact CD2-CZ 3.42Å; L113-R117 VanDerWaalsContact CD2-NE 3.3Å; L113-R117 WeakPolarHBondContact O-CG 3.42Å; L113-R117 PolarHBondContact O-N 3.23Å; L113-I200 HydrophobicContact CD1-CG2 3.73Å; L113-I200 HydrophobicContact CD2-CD1 3.85Å; L113-I200 HydrophobicContact CD2-CG1 3.72Å; L113-I200 HydrophobicContact CD2-CG2 4.37Å; L113-L289 HydrophobicContact CD1-CB 4.11Å; L113-L289 HydrophobicContact CG-CB 4.04Å; L113-V291 HydrophobicContact CD1-CG2 3.88Å; L113-V300 HydrophobicContact CB-CG1 4.24Å; L113-V300 HydrophobicContact CB-CG2 4.01Å; L113-V300 HydrophobicContact CD1-CG1 4.5Å
114L97.2Very high94.8Very high0 Ų028.4 Ų28.40%016%0.159CC..Hα-helixtrans-65.7-37.4177.2-67.3170.7000112.3I110 C111 R117 G118 D119 L120 V138 L141 L198 I200I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.42Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.48Å; I110-L114 PolarHBondContact O-N 3.21Å; C111-L114 PolarHBondContact O-N 3.31Å; L114-R117 PolarHBondContact O-N 3.33Å; L114-G118 PolarHBondContact O-N 2.89Å; L114-D119 HydrophobicContact CB-CB 4.34Å; L114-D119 HydrophobicContact CD2-CB 3.98Å; L114-D119 PolarHBondContact O-N 3.4Å; L114-L120 HydrophobicContact CB-CB 4.23Å; L114-L120 HydrophobicContact CB-CD1 3.81Å; L114-L120 HydrophobicContact CB-CG 3.82Å; L114-L120 HydrophobicContact CD1-CD1 3.85Å; L114-L120 HydrophobicContact CD1-CG 4.22Å; L114-L120 PolarHBondContact O-N 2.99Å; L114-V138 HydrophobicContact CD1-CG2 4.35Å; L114-L141 HydrophobicContact CD1-CD1 3.95Å; L114-L141 HydrophobicContact CD2-CD1 4.47Å; L114-L198 HydrophobicContact CD1-CD1 4.28Å; L114-L198 HydrophobicContact CD1-CD2 4.4Å; L114-I200 HydrophobicContact CD2-CD1 4.26Å; L114-I200 HydrophobicContact CG-CD1 4.29Å
115L96.9Very high94.9Very high3 Ų335 Ų352%0.01619%0.194CC..Hα-helixtrans-64.6-41.8173.8-69.6165.6000111.4R92 V94 P95 C111 N112 G118 L120 L122R92-L115 PolarHBondContact NH2-O 2.94Å; R92-L115 VanDerWaalsContact NH2-O 3.13Å; V94-L115 HydrophobicContact CG1-CB 4.18Å; V94-L115 WeakPolarHBondContact CG1-O 3.45Å; P95-L115 HydrophobicContact CG-CD2 4.19Å; P95-L115 WeakPolarHBondContact O-CB 3.4Å; P95-L115 WeakPolarHBondContact O-CD1 3.42Å; C111-L115 WeakPolarHBondContact O-CB 3.16Å; C111-L115 WeakPolarHBondContact O-CG 3.39Å; C111-L115 PolarHBondContact O-N 3.21Å; N112-L115 PolarHBondContact O-N 2.98Å; L115-G118 PolarHBondContact O-N 3.4Å; L115-L120 HydrophobicContact CD2-CB 3.62Å; L115-L120 HydrophobicContact CG-CB 4.04Å; L115-L122 HydrophobicContact CD2-CG 4.34Å
116L96.4Very high95Very high3 Ų335.7 Ų35.72%0.01620%0.198CC..Hα-helixtrans-65.9-40.5174.7-72.7168.7000112.2W89 R92 V94 N112 L113 G118 L289 V300 L311 W325W89-L116 HydrophobicContact CB-CD2 4.03Å; W89-L116 VanDerWaalsContact CD1-O 3.3Å; W89-L116 HydrophobicContact CD2-CD2 3.77Å; W89-L116 HydrophobicContact CE3-CD2 4.33Å; W89-L116 HydrophobicContact CG-CD2 3.62Å; W89-L116 PolarHBondContact NE1-O 3.32Å; R92-L116 PolarHBondContact NH2-O 3.24Å; V94-L116 HydrophobicContact CG1-CD2 4.14Å; N112-L116 WeakPolarHBondContact O-CB 3.43Å; N112-L116 VanDerWaalsContact O-CG 3.24Å; N112-L116 WeakPolarHBondContact O-CG 3.39Å; N112-L116 PolarHBondContact O-N 3.2Å; L113-L116 PolarHBondContact O-N 3.19Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 2.88Å; L116-L289 HydrophobicContact CB-CD1 3.65Å; L116-L289 HydrophobicContact CD1-CD2 4.37Å; L116-V300 HydrophobicContact CD1-CG1 4.21Å; L116-L311 HydrophobicContact CD1-CD1 4.4Å; L116-L311 HydrophobicContact CD1-CD2 4.11Å; L116-W325 HydrophobicContact CD1-CH2 3.93Å; L116-W325 HydrophobicContact CD1-CZ2 4.2Å
117R95Very high95Very high71 Ų7142.5 Ų42.527%0.26823%0.23SC..Hα-helixtrans-64.9-32.4172.2-72.3-176.9-178.2176.4-2.3112L113 L114 N199 L289L113-R117 HydrophobicContact CD2-CG 4.25Å; L113-R117 VanDerWaalsContact CD2-CZ 3.42Å; L113-R117 VanDerWaalsContact CD2-NE 3.3Å; L113-R117 WeakPolarHBondContact O-CG 3.42Å; L113-R117 PolarHBondContact O-N 3.23Å; L114-R117 PolarHBondContact O-N 3.33Å; R117-N199 PolarHBondContact NH1-O 3.44Å; R117-N199 PolarHBondContact NH2-O 2.92Å; R117-N199 VanDerWaalsContact NH2-O 3.17Å; R117-L289 HydrophobicContact CG-CD1 3.87Å; R117-L289 PolarHBondContact NH2-O 2.85Å
118G93.8Very high95Very high31 Ų3145.5 Ų45.532%0.3225%0.247SC..THydrogen-bonded Turntrans91.713.9-174.800000113.6L114 L115 L116 L120L114-G118 PolarHBondContact O-N 2.89Å; L115-G118 PolarHBondContact O-N 3.4Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 2.88Å; G118-L120 VanDerWaalsContact C-N 3.31Å
119D93.6Very high95Very high80 Ų8045.5 Ų45.543%0.42825%0.248SC..SBendtrans-74.5-27.6173.8-60.7-34.8000111L114 L141L114-D119 HydrophobicContact CB-CB 4.34Å; L114-D119 HydrophobicContact CD2-CB 3.98Å; L114-D119 PolarHBondContact O-N 3.4Å; D119-L141 HydrophobicContact CB-CD1 4.25Å
120L95Very high94.8Very high14 Ų1446.5 Ų46.57%0.07326%0.256CS..SBendtrans-113.2153169.4-70.5-178.4000110.7L114 L115 G118 M137 V138 L141L114-L120 HydrophobicContact CB-CB 4.23Å; L114-L120 HydrophobicContact CB-CD1 3.81Å; L114-L120 HydrophobicContact CB-CG 3.82Å; L114-L120 HydrophobicContact CD1-CD1 3.85Å; L114-L120 HydrophobicContact CD1-CG 4.22Å; L114-L120 PolarHBondContact O-N 2.99Å; L115-L120 HydrophobicContact CD2-CB 3.62Å; L115-L120 HydrophobicContact CG-CB 4.04Å; G118-L120 VanDerWaalsContact C-N 3.31Å; L120-M137 HydrophobicContact CD1-CB 4.45Å; L120-M137 HydrophobicContact CD2-CB 3.84Å; L120-V138 HydrophobicContact CD1-CG2 4.37Å; L120-L141 HydrophobicContact CD1-CD1 4.37Å; L120-L141 HydrophobicContact CD2-CD1 3.31Å; L120-L141 HydrophobicContact CD2-CG 3.85Å; L120-L141 HydrophobicContact CG-CD1 3.58Å
121T94.5Very high94.6Very high112 Ų11246.5 Ų46.569%0.68726%0.256SS*.  trans-142.1139.2174.457.30000110
122L94.3Very high94.3Very high14 Ų1448.6 Ų48.67%0.07327%0.269CS..  trans-106.8153.2166.7-65.9174.1000109.4V84 P95 L115 T126 V129 M137V84-L122 HydrophobicContact CG2-CD1 4.19Å; P95-L122 HydrophobicContact CB-CB 4.48Å; P95-L122 HydrophobicContact CB-CD1 4.15Å; P95-L122 HydrophobicContact CG-CB 3.91Å; P95-L122 HydrophobicContact CG-CD1 4.18Å; P95-L122 HydrophobicContact CG-CG 4.28Å; L115-L122 HydrophobicContact CD2-CG 4.34Å; L122-T126 HydrophobicContact CD1-CG2 4.45Å; L122-V129 HydrophobicContact CD2-CG2 4.28Å; L122-M137 HydrophobicContact CD2-CE 3.78Å; L122-M137 HydrophobicContact CD2-SD 3.97Å
123P94Very high94.1Very high85 Ų8552.5 Ų52.555%0.55229%0.287SS*.  trans-52.8144.1172.4-2433.3000111.4W86 T126W86-P123 VanDerWaalsContact CZ2-O 3.27Å; W86-P123 WeakPolarHBondContact CZ2-O 3.32Å; P123-T126 WeakPolarHBondContact CD-OG1 3.43Å; P123-T126 WeakPolarHBondContact O-CB 3.25Å; P123-T126 PolarHBondContact O-N 2.9Å; P123-T126 PolarHBondContact O-OG1 2.63Å
124E91.1Very high93.9Very high164 Ų16452.5 Ų52.577%0.76629%0.287SS*.THydrogen-bonded Turntrans-53.1144.1172.7-63.9-177.117100110.2T126E124-T126 PolarHBondContact O-N 3.15Å
125D90.4Very high93.7Very high141 Ų14153.4 Ų53.475%0.75429%0.292SS*.THydrogen-bonded Turntrans62.816.6-178.6-51-40.3000115.7E127D125-E127 PolarHBondContact O-N 2.93Å; D125-E127 VanDerWaalsContact O-N 3.12Å
126T94.7Very high93.5Very high24 Ų2458.2 Ų58.215%0.14732%0.317CS..  trans-61.5117.2168.5-590000109.4V84 W86 L122 P123 E124 V128V84-T126 VanDerWaalsContact CB-O 3.32Å; V84-T126 WeakPolarHBondContact CB-O 3.47Å; V84-T126 VanDerWaalsContact CG1-O 3.31Å; V84-T126 WeakPolarHBondContact CG1-O 3.49Å; V84-T126 HydrophobicContact CG2-CG2 4.13Å; W86-T126 PolarHBondContact NE1-O 3.26Å; L122-T126 HydrophobicContact CD1-CG2 4.45Å; P123-T126 WeakPolarHBondContact CD-OG1 3.43Å; P123-T126 WeakPolarHBondContact O-CB 3.25Å; P123-T126 PolarHBondContact O-N 2.9Å; P123-T126 PolarHBondContact O-OG1 2.63Å; E124-T126 PolarHBondContact O-N 3.15Å; T126-V128 VanDerWaalsContact CG2-O 3.3Å; T126-V128 WeakPolarHBondContact CG2-O 3.35Å
127E94.6Very high93.4Very high145 Ų14559.6 Ų59.668%0.67832%0.324SS*.  trans-92.8-25.9176.5-63.9-175.7167.100112.5Q83 V84 D125Q83-E127 PolarHBondContact OE1-O 3.4Å; V84-E127 PolarHBondContact N-O 2.9Å; D125-E127 PolarHBondContact O-N 2.93Å; D125-E127 VanDerWaalsContact O-N 3.12Å
128V94.6Very high93.4Very high62 Ų6256.2 Ų56.238%0.37631%0.311SS..EExtended strand (participates in β ladder)trans-145142.4-172.1-129.20000110.9I81 H82 T126I81-V128 HydrophobicContact CG2-CB 4.15Å; I81-V128 HydrophobicContact CG2-CG1 3.14Å; H82-V128 WeakPolarHBondContact O-CA 3.18Å; H82-V128 VanDerWaalsContact O-CG1 3.29Å; H82-V128 WeakPolarHBondContact O-CG1 3.46Å; T126-V128 VanDerWaalsContact CG2-O 3.3Å; T126-V128 WeakPolarHBondContact CG2-O 3.35Å
129V94.1Very high93.3Very high2 Ų255 Ų551%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-136135.6179.367.70000110.6H82 V84 A97 L122 Q133 L134H82-V129 HydrophobicContact CB-CG1 3.97Å; H82-V129 PolarHBondContact N-O 3.46Å; H82-V129 PolarHBondContact O-N 2.8Å; V84-V129 HydrophobicContact CG2-CB 4Å; V84-V129 HydrophobicContact CG2-CG1 3.75Å; A97-V129 HydrophobicContact CB-CG1 4.22Å; L122-V129 HydrophobicContact CD2-CG2 4.28Å; V129-Q133 HydrophobicContact CG2-CB 4.24Å; V129-Q133 HydrophobicContact CG2-CG 4.29Å; V129-L134 HydrophobicContact CG1-CD1 4.1Å; V129-L134 HydrophobicContact CG1-CD2 4.03Å; V129-L134 HydrophobicContact CG1-CG 4.12Å; V129-L134 HydrophobicContact CG2-CD2 3.72Å; V129-L134 HydrophobicContact CG2-CG 3.91Å
130A92.9Very high93.3Very high25 Ų2555.9 Ų55.921%0.20730%0.304CS..EExtended strand (participates in β ladder)trans-80.7144.3176.200000111L80 T132 Q133 L134L80-A130 CarbonylContact O-C 3.44Å; A130-T132 PolarHBondContact O-N 2.79Å; A130-Q133 HydrophobicContact CB-CB 4.39Å; A130-Q133 WeakPolarHBondContact O-CB 3.34Å; A130-Q133 PolarHBondContact O-N 3.26Å; A130-L134 PolarHBondContact O-N 2.75Å; A130-L134 VanDerWaalsContact O-N 3.08Å
131A91.3Very high93.2Very high1 Ų156.3 Ų56.31%0.00831%0.306CS..Hα-helixtrans-57-37.6175.500000112L80 L107 Q133 L134 I135L80-A131 HydrophobicContact CB-CB 4.03Å; L80-A131 PolarHBondContact O-N 2.99Å; L107-A131 HydrophobicContact CD2-CB 4.28Å; A131-Q133 VanDerWaalsContact C-N 3.31Å; A131-Q133 PolarHBondContact O-N 3.25Å; A131-L134 WeakPolarHBondContact O-CB 3.43Å; A131-L134 PolarHBondContact O-N 2.8Å; A131-I135 VanDerWaalsContact O-CG1 3.27Å; A131-I135 WeakPolarHBondContact O-CG1 3.44Å; A131-I135 PolarHBondContact O-N 3.22Å
132T91.3Very high92.9Very high44 Ų4451 Ų5127%0.2727%0.274SS..Hα-helixtrans-61.1-38.8174.8500000112.4V77 A130 I135 N136V77-T132 HydrophobicContact CB-CG2 4.44Å; V77-T132 HydrophobicContact CG1-CG2 3.91Å; A130-T132 PolarHBondContact O-N 2.79Å; T132-I135 PolarHBondContact O-N 3.12Å; T132-N136 WeakPolarHBondContact O-CB 3.31Å; T132-N136 PolarHBondContact O-N 3.19Å; T132-N136 PolarHBondContact O-ND2 2.9Å
133Q93.2Very high92.6Very high82 Ų8255.4 Ų55.438%0.38329%0.292SS..Hα-helixtrans-66.4-43.9174.8-174.3-179.1-6.900111.2V129 A130 A131 N136 M137V129-Q133 HydrophobicContact CG2-CB 4.24Å; V129-Q133 HydrophobicContact CG2-CG 4.29Å; A130-Q133 HydrophobicContact CB-CB 4.39Å; A130-Q133 WeakPolarHBondContact O-CB 3.34Å; A130-Q133 PolarHBondContact O-N 3.26Å; A131-Q133 VanDerWaalsContact C-N 3.31Å; A131-Q133 PolarHBondContact O-N 3.25Å; Q133-N136 PolarHBondContact O-N 2.7Å; Q133-M137 HydrophobicContact CG-CE 4.38Å; Q133-M137 WeakPolarHBondContact O-CG 3.32Å; Q133-M137 PolarHBondContact O-N 3.15Å
134L93.6Very high92.2Very high0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-59.7-46.6175.2-67.5-178.4000111.8A97 L107 L108 C111 V129 A130 A131 N136 M137 V138A97-L134 HydrophobicContact CB-CD1 4.4Å; L107-L134 HydrophobicContact CD1-CB 4.29Å; L107-L134 HydrophobicContact CD2-CB 4.08Å; L107-L134 HydrophobicContact CD2-CD1 4.41Å; L107-L134 HydrophobicContact CG-CB 4.27Å; L108-L134 HydrophobicContact CD2-CD1 3.77Å; C111-L134 HydrophobicContact CB-CD2 4.27Å; V129-L134 HydrophobicContact CG1-CD1 4.1Å; V129-L134 HydrophobicContact CG1-CD2 4.03Å; V129-L134 HydrophobicContact CG1-CG 4.12Å; V129-L134 HydrophobicContact CG2-CD2 3.72Å; V129-L134 HydrophobicContact CG2-CG 3.91Å; A130-L134 PolarHBondContact O-N 2.75Å; A130-L134 VanDerWaalsContact O-N 3.08Å; A131-L134 WeakPolarHBondContact O-CB 3.43Å; A131-L134 PolarHBondContact O-N 2.8Å; L134-N136 PolarHBondContact O-N 2.94Å; L134-M137 HydrophobicContact CD2-CE 3.56Å; L134-M137 PolarHBondContact O-N 3.18Å; L134-V138 WeakPolarHBondContact O-CG2 3.3Å; L134-V138 PolarHBondContact O-N 3.28Å
135I93.1Very high91.7Very high18 Ų1851.4 Ų51.49%0.09227%0.266CS..Hα-helixtrans-59.1-48177.4-71.2164.7000111L107 A131 T132 M137 V138 G139 L167L107-I135 HydrophobicContact CD1-CG1 3.95Å; L107-I135 HydrophobicContact CD2-CD1 4.34Å; L107-I135 HydrophobicContact CD2-CG1 3.8Å; A131-I135 VanDerWaalsContact O-CG1 3.27Å; A131-I135 WeakPolarHBondContact O-CG1 3.44Å; A131-I135 PolarHBondContact O-N 3.22Å; T132-I135 PolarHBondContact O-N 3.12Å; I135-M137 VanDerWaalsContact C-N 3.34Å; I135-M137 PolarHBondContact O-N 3.1Å; I135-V138 PolarHBondContact O-N 3.05Å; I135-G139 PolarHBondContact O-N 3.28Å; I135-L167 HydrophobicContact CG2-CB 4.07Å
136N93.1Very high90.9Very high104 Ų10445.2 Ų45.256%0.55624%0.236SC*.Hα-helixtrans-61.1-43.8-179.9-70.8-20.8000111.5T132 Q133 L134 V138 G139 D140T132-N136 WeakPolarHBondContact O-CB 3.31Å; T132-N136 PolarHBondContact O-N 3.19Å; T132-N136 PolarHBondContact O-ND2 2.9Å; Q133-N136 PolarHBondContact O-N 2.7Å; L134-N136 PolarHBondContact O-N 2.94Å; N136-V138 PolarHBondContact O-N 2.97Å; N136-G139 PolarHBondContact O-N 3.01Å; N136-D140 PolarHBondContact O-N 3.24Å
137M94.1Very high89.7Confident32 Ų3249.3 Ų49.316%0.15826%0.255CS..Hα-helixtrans-62-41.4176.8-72.6-171.9-5900112.6L120 L122 Q133 L134 I135 L141L120-M137 HydrophobicContact CD1-CB 4.45Å; L120-M137 HydrophobicContact CD2-CB 3.84Å; L122-M137 HydrophobicContact CD2-CE 3.78Å; L122-M137 HydrophobicContact CD2-SD 3.97Å; Q133-M137 HydrophobicContact CG-CE 4.38Å; Q133-M137 WeakPolarHBondContact O-CG 3.32Å; Q133-M137 PolarHBondContact O-N 3.15Å; L134-M137 HydrophobicContact CD2-CE 3.56Å; L134-M137 PolarHBondContact O-N 3.18Å; I135-M137 VanDerWaalsContact C-N 3.34Å; I135-M137 PolarHBondContact O-N 3.1Å; M137-L141 PolarHBondContact O-N 3.13Å
138V93.9Very high88.6Confident0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-66.5-43.2175.3176.40000110.5L107 I110 C111 L114 L120 L134 I135 N136 D140 L141 V142 L167 I194 L198L107-V138 HydrophobicContact CD1-CG2 4.45Å; I110-V138 HydrophobicContact CG2-CG1 4.25Å; I110-V138 HydrophobicContact CG2-CG2 4.22Å; C111-V138 VanDerWaalsContact SG-CG2 3.5Å; L114-V138 HydrophobicContact CD1-CG2 4.35Å; L120-V138 HydrophobicContact CD1-CG2 4.37Å; L134-V138 WeakPolarHBondContact O-CG2 3.3Å; L134-V138 PolarHBondContact O-N 3.28Å; I135-V138 PolarHBondContact O-N 3.05Å; N136-V138 PolarHBondContact O-N 2.97Å; V138-D140 PolarHBondContact O-N 3.25Å; V138-L141 PolarHBondContact O-N 2.88Å; V138-V142 HydrophobicContact CG1-CG2 4.38Å; V138-V142 WeakPolarHBondContact O-CG2 3.47Å; V138-V142 PolarHBondContact O-N 2.82Å; V138-L167 HydrophobicContact CB-CD2 4.31Å; V138-L167 HydrophobicContact CG1-CD2 3.82Å; V138-I194 HydrophobicContact CG1-CD1 3.97Å; V138-L198 HydrophobicContact CG1-CD1 3.92Å
139G92.9Very high87.1Confident6 Ų647.9 Ų47.96%0.06226%0.256CS..Hα-helixtrans-59.2-44.5176.500000112.8I135 N136 L141 V142 F143 M164I135-G139 PolarHBondContact O-N 3.28Å; N136-G139 PolarHBondContact O-N 3.01Å; G139-L141 VanDerWaalsContact C-N 3.33Å; G139-L141 PolarHBondContact O-N 3.39Å; G139-V142 PolarHBondContact O-N 2.81Å; G139-F143 WeakPolarHBondContact O-CB 3.39Å; G139-F143 PolarHBondContact O-N 2.53Å; G139-M164 WeakPolarHBondContact O-CE 3.32Å
140D92.4Very high85.3Confident99 Ų9956 Ų5653%0.52929%0.294SS..Hα-helixtrans-60.3-42.3176.3-74-20.7000111.7N136 V138 F143 Q144N136-D140 PolarHBondContact O-N 3.24Å; V138-D140 PolarHBondContact O-N 3.25Å; D140-F143 PolarHBondContact O-N 2.81Å; D140-Q144 WeakPolarHBondContact O-CB 3.38Å; D140-Q144 VanDerWaalsContact O-CG 3.23Å; D140-Q144 WeakPolarHBondContact O-CG 3.2Å; D140-Q144 PolarHBondContact O-N 2.95Å
141L92.2Very high83.6Confident23 Ų2366.1 Ų66.112%0.1233%0.327CS..Hα-helixtrans-64.9-45.2175.8-77.5-176.8000112.6L114 D119 L120 M137 V138 G139 F143 Q144 Q145 L198L114-L141 HydrophobicContact CD1-CD1 3.95Å; L114-L141 HydrophobicContact CD2-CD1 4.47Å; D119-L141 HydrophobicContact CB-CD1 4.25Å; L120-L141 HydrophobicContact CD1-CD1 4.37Å; L120-L141 HydrophobicContact CD2-CD1 3.31Å; L120-L141 HydrophobicContact CD2-CG 3.85Å; L120-L141 HydrophobicContact CG-CD1 3.58Å; M137-L141 PolarHBondContact O-N 3.13Å; V138-L141 PolarHBondContact O-N 2.88Å; G139-L141 VanDerWaalsContact C-N 3.33Å; G139-L141 PolarHBondContact O-N 3.39Å; L141-F143 VanDerWaalsContact C-N 3.27Å; L141-F143 PolarHBondContact O-N 2.86Å; L141-Q144 PolarHBondContact O-N 2.78Å; L141-Q145 WeakPolarHBondContact O-CG 3.49Å; L141-Q145 PolarHBondContact O-N 2.88Å; L141-L198 HydrophobicContact CB-CD2 4.08Å
142V89.8Confident82.1Confident0 Ų072.5 Ų72.50%036%0.356CS..Hα-helixtrans-57.2-44.7176170.70000110V138 G139 G146 V160 A163 M164 I194 L197 L198V138-V142 HydrophobicContact CG1-CG2 4.38Å; V138-V142 WeakPolarHBondContact O-CG2 3.47Å; V138-V142 PolarHBondContact O-N 2.82Å; G139-V142 PolarHBondContact O-N 2.81Å; V142-G146 PolarHBondContact O-N 2.66Å; V142-V160 HydrophobicContact CG1-CG1 4.43Å; V142-A163 HydrophobicContact CG1-CB 3.96Å; V142-M164 HydrophobicContact CB-CE 4.49Å; V142-M164 HydrophobicContact CG1-CE 4.44Å; V142-I194 HydrophobicContact CG2-CG1 4.3Å; V142-L197 HydrophobicContact CG1-CD1 3.74Å; V142-L198 HydrophobicContact CG2-CD1 4.28Å; V142-L198 HydrophobicContact CG2-CD2 3.86Å; V142-L198 HydrophobicContact CG2-CG 4.03Å
143F87.3Confident80.8Confident107 Ų10778.8 Ų78.847%0.46938%0.375SS..Hα-helixtrans-65.6-42.2178.5-172.2-97.3000112.9G139 D140 L141 G146 M147 M164G139-F143 WeakPolarHBondContact O-CB 3.39Å; G139-F143 PolarHBondContact O-N 2.53Å; D140-F143 PolarHBondContact O-N 2.81Å; L141-F143 VanDerWaalsContact C-N 3.27Å; L141-F143 PolarHBondContact O-N 2.86Å; F143-G146 WeakPolarHBondContact O-CA 3.41Å; F143-G146 PolarHBondContact O-N 2.84Å; F143-G146 VanDerWaalsContact O-N 3.13Å; F143-M147 HydrophobicContact CE1-CE 4.3Å; F143-M147 HydrophobicContact CE1-CG 4.24Å; F143-M147 HydrophobicContact CE2-CE 3.93Å; F143-M147 HydrophobicContact CZ-CE 3.75Å; F143-M147 PolarHBondContact O-N 3.15Å; F143-M147 VanDerWaalsContact O-N 3.16Å; F143-M164 HydrophobicContact CB-CE 3.83Å; F143-M164 HydrophobicContact CD2-CE 4.44Å
144Q86.1Confident79.5Confident120 Ų12081.3 Ų81.356%0.56139%0.39SS*.Hα-helixtrans-64.4-44177.9-74.2172.626.300112.1D140 L141 G146 M147 A148D140-Q144 WeakPolarHBondContact O-CB 3.38Å; D140-Q144 VanDerWaalsContact O-CG 3.23Å; D140-Q144 WeakPolarHBondContact O-CG 3.2Å; D140-Q144 PolarHBondContact O-N 2.95Å; L141-Q144 PolarHBondContact O-N 2.78Å; Q144-G146 PolarHBondContact O-N 2.96Å; Q144-M147 PolarHBondContact O-N 3.41Å; Q144-M147 VanDerWaalsContact O-N 3.12Å; Q144-A148 PolarHBondContact O-N 2.75Å
145Q80.9Confident78.7Confident44 Ų4486.4 Ų86.421%0.20642%0.418CS..Hα-helixtrans-63.5-34.6172.9-70.9180-19.100111L141 M147 A148 Y156 L197L141-Q145 WeakPolarHBondContact O-CG 3.49Å; L141-Q145 PolarHBondContact O-N 2.88Å; Q145-M147 VanDerWaalsContact C-N 3.28Å; Q145-M147 PolarHBondContact O-N 3Å; Q145-A148 PolarHBondContact O-N 2.78Å; Q145-Y156 VanDerWaalsContact O-CE1 3.25Å; Q145-Y156 WeakPolarHBondContact O-CE1 3.41Å; Q145-Y156 PolarHBondContact O-OH 2.82Å; Q145-L197 PolarHBondContact OE1-O 3.28Å
146G72.3Confident77.9Confident12 Ų1286.7 Ų86.712%0.12442%0.418CS..Hα-helixtrans-39.9-50.8163.700000114.1V142 F143 Q144 Y156V142-G146 PolarHBondContact O-N 2.66Å; F143-G146 WeakPolarHBondContact O-CA 3.41Å; F143-G146 PolarHBondContact O-N 2.84Å; F143-G146 VanDerWaalsContact O-N 3.13Å; Q144-G146 PolarHBondContact O-N 2.96Å; G146-Y156 VanDerWaalsContact C-CE1 3.46Å; G146-Y156 PolarHBondContact N-OH 3.44Å; G146-Y156 VanDerWaalsContact O-CD1 3.27Å; G146-Y156 WeakPolarHBondContact O-CD1 3.07Å; G146-Y156 WeakPolarHBondContact O-CE1 3.14Å
147M71Confident77.4Confident110 Ų11085.7 Ų85.754%0.54241%0.41SS..Hα-helixtrans-84.6-28-173.1-65.5-66.413700113.6F143 Q144 Q145F143-M147 HydrophobicContact CE1-CE 4.3Å; F143-M147 HydrophobicContact CE1-CG 4.24Å; F143-M147 HydrophobicContact CE2-CE 3.93Å; F143-M147 HydrophobicContact CZ-CE 3.75Å; F143-M147 PolarHBondContact O-N 3.15Å; F143-M147 VanDerWaalsContact O-N 3.16Å; Q144-M147 PolarHBondContact O-N 3.41Å; Q144-M147 VanDerWaalsContact O-N 3.12Å; Q145-M147 VanDerWaalsContact C-N 3.28Å; Q145-M147 PolarHBondContact O-N 3Å
148A69.8Low77Confident80 Ų8089 Ų8966%0.66143%0.425SS*.Hα-helixtrans-72.5-32.8-175.500000113.4Q144 Q145 Q150Q144-A148 PolarHBondContact O-N 2.75Å; Q145-A148 PolarHBondContact O-N 2.78Å; A148-Q150 PolarHBondContact O-N 2.84Å; A148-Q150 VanDerWaalsContact O-N 3.17Å
149K64.1Low76.6Confident96 Ų9691.2 Ų91.242%0.41744%0.437SS..  trans-90.369.8-176.6-66.8-177.9-176.7167.80111.4R151 Y156K149-R151 PolarHBondContact O-N 3.3Å; K149-Y156 HydrophobicContact CB-CD1 4.44Å; K149-Y156 HydrophobicContact CB-CE1 3.96Å; K149-Y156 HydrophobicContact CD-CE2 4.15Å
150Q56.8Low76.3Confident172 Ų17291.8 Ų91.880%0.80444%0.439SS*.G310 helixtrans-63.2-9.9-175.7-67.6-169.5-18.500116.6A148A148-Q150 PolarHBondContact O-N 2.84Å; A148-Q150 VanDerWaalsContact O-N 3.17Å
151R56.8Low76.1Confident238 Ų23895 Ų9590%0.89845%0.445SS*.G310 helixtrans-81.8-18.7-165.6-75-176.5179.11630.4115.8K149K149-R151 PolarHBondContact O-N 3.3Å
152H60.4Low75.8Confident135 Ų13595.7 Ų95.763%0.62545%0.449SS*.G310 helixtrans-14059.3-178.2-78-89.2000111.3L154 Y156H152-L154 PolarHBondContact O-N 3.22Å; H152-Y156 VanDerWaalsContact O-CB 3.24Å; H152-Y156 WeakPolarHBondContact O-CB 3.29Å; H152-Y156 PolarHBondContact O-N 2.89Å; H152-Y156 VanDerWaalsContact O-N 3.15Å
153R64.2Low75.8Confident176 Ų17695.8 Ų95.866%0.66445%0.449SS*.Hα-helixtrans-56-42.8-165.2-170.8174.9178-170.4-3.7114.8E157R153-E157 HydrophobicContact CG-CG 4.19Å; R153-E157 WeakPolarHBondContact CG-OE1 3.39Å; R153-E157 IonicContact CZ-OE1 2.72Å; R153-E157 VanDerWaalsContact CZ-OE1 3.32Å; R153-E157 IonicContact NE-OE1 2.82Å; R153-E157 PolarHBondContact NE-OE1 3.08Å; R153-E157 IonicContact NH2-OE1 3.73Å; R153-E157 PolarHBondContact NH2-OE1 3.47Å; R153-E157 VanDerWaalsContact NH2-OE1 3.09Å; R153-E157 VanDerWaalsContact O-CB 3.29Å; R153-E157 WeakPolarHBondContact O-CB 3.47Å; R153-E157 VanDerWaalsContact O-CG 3.22Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 3.18Å
154L64Low75.9Confident135 Ų13593.9 Ų93.971%0.70744%0.443SS*.Hα-helixtrans-72.1-48.9-173.7-67.8174.6000112.9H152 Y156 E157 Q158H152-L154 PolarHBondContact O-N 3.22Å; L154-Y156 PolarHBondContact O-N 3Å; L154-E157 PolarHBondContact O-N 2.92Å; L154-Q158 PolarHBondContact O-N 2.98Å; L154-Q158 VanDerWaalsContact O-N 3.16Å
155D76.8Confident76.1Confident108 Ų10891.4 Ų91.458%0.57844%0.438SS*.Hα-helixtrans-61-37177.2-55.1-23.3000110.2N159D155-N159 PolarHBondContact O-N 3.21Å; D155-N159 PolarHBondContact O-ND2 3.47Å; D155-N159 PolarHBondContact O-OD1 3.04Å; D155-N159 VanDerWaalsContact O-OD1 3.09Å
156Y77.5Confident76.5Confident24 Ų2489.3 Ų89.39%0.09443%0.429CS..Hα-helixtrans-77-35.4-178.5-159.4-119.8000113.6Q145 G146 K149 H152 L154 Q158 N159 V160 L197Q145-Y156 VanDerWaalsContact O-CE1 3.25Å; Q145-Y156 WeakPolarHBondContact O-CE1 3.41Å; Q145-Y156 PolarHBondContact O-OH 2.82Å; G146-Y156 VanDerWaalsContact C-CE1 3.46Å; G146-Y156 PolarHBondContact N-OH 3.44Å; G146-Y156 VanDerWaalsContact O-CD1 3.27Å; G146-Y156 WeakPolarHBondContact O-CD1 3.07Å; G146-Y156 WeakPolarHBondContact O-CE1 3.14Å; K149-Y156 HydrophobicContact CB-CD1 4.44Å; K149-Y156 HydrophobicContact CB-CE1 3.96Å; K149-Y156 HydrophobicContact CD-CE2 4.15Å; H152-Y156 VanDerWaalsContact O-CB 3.24Å; H152-Y156 WeakPolarHBondContact O-CB 3.29Å; H152-Y156 PolarHBondContact O-N 2.89Å; H152-Y156 VanDerWaalsContact O-N 3.15Å; L154-Y156 PolarHBondContact O-N 3Å; Y156-Q158 VanDerWaalsContact C-N 3.32Å; Y156-N159 PolarHBondContact O-N 3.39Å; Y156-V160 HydrophobicContact CD1-CG2 4.43Å; Y156-V160 HydrophobicContact CE1-CG2 4.42Å; Y156-V160 VanDerWaalsContact O-CG2 3.32Å; Y156-V160 WeakPolarHBondContact O-CG2 3.34Å; Y156-V160 PolarHBondContact O-N 3.23Å; Y156-L197 HydrophobicContact CD2-CD2 3.96Å; Y156-L197 HydrophobicContact CE2-CD2 3.18Å
157E82.7Confident77.3Confident82 Ų8289.2 Ų89.238%0.38343%0.425SS..Hα-helixtrans-61.8-41.8172.5-82.4176.8175.400110.9R153 L154 V160 Y161R153-E157 HydrophobicContact CG-CG 4.19Å; R153-E157 WeakPolarHBondContact CG-OE1 3.39Å; R153-E157 IonicContact CZ-OE1 2.72Å; R153-E157 VanDerWaalsContact CZ-OE1 3.32Å; R153-E157 IonicContact NE-OE1 2.82Å; R153-E157 PolarHBondContact NE-OE1 3.08Å; R153-E157 IonicContact NH2-OE1 3.73Å; R153-E157 PolarHBondContact NH2-OE1 3.47Å; R153-E157 VanDerWaalsContact NH2-OE1 3.09Å; R153-E157 VanDerWaalsContact O-CB 3.29Å; R153-E157 WeakPolarHBondContact O-CB 3.47Å; R153-E157 VanDerWaalsContact O-CG 3.22Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 3.18Å; L154-E157 PolarHBondContact O-N 2.92Å; E157-V160 PolarHBondContact O-N 3.45Å; E157-Y161 PolarHBondContact O-N 3.44Å
158Q84.4Confident78Confident102 Ų10286.8 Ų86.848%0.47742%0.418SS..Hα-helixtrans-62.2-45.5173.1-173.461.740.600111.1L154 Y156 V160 Y161 D162L154-Q158 PolarHBondContact O-N 2.98Å; L154-Q158 VanDerWaalsContact O-N 3.16Å; Y156-Q158 VanDerWaalsContact C-N 3.32Å; Q158-V160 VanDerWaalsContact C-N 3.31Å; Q158-V160 PolarHBondContact O-N 3.3Å; Q158-Y161 WeakPolarHBondContact O-CB 3.33Å; Q158-Y161 PolarHBondContact O-N 2.98Å; Q158-Y161 VanDerWaalsContact O-N 3.15Å; Q158-D162 PolarHBondContact NE2-OD1 2.72Å; Q158-D162 VanDerWaalsContact O-CG 3.29Å; Q158-D162 PolarHBondContact O-N 3.46Å
159N85.5Confident78.9Confident47 Ų4787.3 Ų87.325%0.25141%0.405SS..Hα-helixtrans-61-40.1179.5-67.7-6.8000112.7D155 Y156 A163 I193 L197D155-N159 PolarHBondContact O-N 3.21Å; D155-N159 PolarHBondContact O-ND2 3.47Å; D155-N159 PolarHBondContact O-OD1 3.04Å; D155-N159 VanDerWaalsContact O-OD1 3.09Å; Y156-N159 PolarHBondContact O-N 3.39Å; N159-A163 WeakPolarHBondContact O-CB 3.42Å; N159-A163 PolarHBondContact O-N 3.42Å; N159-I193 VanDerWaalsContact CA-CD1 3.43Å; N159-I193 HydrophobicContact CB-CD1 3.47Å; N159-I193 VanDerWaalsContact CB-CD1 3.47Å; N159-I193 HydrophobicContact CB-CG1 4.07Å; N159-I193 WeakPolarHBondContact OD1-CD1 3.27Å; N159-L197 HydrophobicContact CB-CD2 4.27Å
160V86.9Confident80Confident18 Ų1882.8 Ų82.811%0.10939%0.385CS..Hα-helixtrans-66.3-41.8176171.40000110.8V142 Y156 E157 Q158 A163 M164 L197V142-V160 HydrophobicContact CG1-CG1 4.43Å; Y156-V160 HydrophobicContact CD1-CG2 4.43Å; Y156-V160 HydrophobicContact CE1-CG2 4.42Å; Y156-V160 VanDerWaalsContact O-CG2 3.32Å; Y156-V160 WeakPolarHBondContact O-CG2 3.34Å; Y156-V160 PolarHBondContact O-N 3.23Å; E157-V160 PolarHBondContact O-N 3.45Å; Q158-V160 VanDerWaalsContact C-N 3.31Å; Q158-V160 PolarHBondContact O-N 3.3Å; V160-A163 PolarHBondContact O-N 2.88Å; V160-M164 HydrophobicContact CG1-CG 4.42Å; V160-M164 VanDerWaalsContact O-CG 3.23Å; V160-M164 WeakPolarHBondContact O-CG 3.3Å; V160-M164 PolarHBondContact O-N 3.08Å; V160-L197 HydrophobicContact CG2-CD1 4.36Å
161Y87.6Confident81.4Confident165 Ų16575.5 Ų75.565%0.64735%0.353SS*.Hα-helixtrans-61.3-47.2176-179.3-92.9000111.7E157 Q158 A163 M164 S165E157-Y161 PolarHBondContact O-N 3.44Å; Q158-Y161 WeakPolarHBondContact O-CB 3.33Å; Q158-Y161 PolarHBondContact O-N 2.98Å; Q158-Y161 VanDerWaalsContact O-N 3.15Å; Y161-A163 VanDerWaalsContact C-N 3.34Å; Y161-A163 PolarHBondContact O-N 2.76Å; Y161-M164 PolarHBondContact O-N 3.27Å; Y161-S165 PolarHBondContact O-N 2.8Å
162D87.9Confident82.7Confident39 Ų3969.2 Ų69.221%0.20934%0.342CS..Hα-helixtrans-60.9-44.1177.4-66.1-15.9000110.5Q158 M164 S165 V166 I193Q158-D162 PolarHBondContact NE2-OD1 2.72Å; Q158-D162 VanDerWaalsContact O-CG 3.29Å; Q158-D162 PolarHBondContact O-N 3.46Å; D162-M164 PolarHBondContact O-N 3.22Å; D162-S165 PolarHBondContact O-N 2.9Å; D162-S165 PolarHBondContact O-OG 2.83Å; D162-V166 WeakPolarHBondContact O-CG2 3.24Å; D162-V166 PolarHBondContact O-N 3.42Å; D162-I193 HydrophobicContact CB-CD1 4.2Å
163A88.9Confident83.9Confident1 Ų164.2 Ų64.21%0.00833%0.327CS..Hα-helixtrans-59.3-45.4175.700000112.8V142 N159 V160 Y161 S165 V166 L167 I193 L197V142-A163 HydrophobicContact CG1-CB 3.96Å; N159-A163 WeakPolarHBondContact O-CB 3.42Å; N159-A163 PolarHBondContact O-N 3.42Å; V160-A163 PolarHBondContact O-N 2.88Å; Y161-A163 VanDerWaalsContact C-N 3.34Å; Y161-A163 PolarHBondContact O-N 2.76Å; A163-S165 VanDerWaalsContact C-N 3.27Å; A163-S165 PolarHBondContact O-N 2.8Å; A163-V166 PolarHBondContact O-N 2.87Å; A163-V166 VanDerWaalsContact O-N 3.1Å; A163-L167 PolarHBondContact O-N 2.9Å; A163-L167 VanDerWaalsContact O-N 3.14Å; A163-I193 HydrophobicContact CB-CG2 3.8Å; A163-L197 HydrophobicContact CB-CD1 3.56Å
164M89.2Confident85.1Confident68 Ų6856.4 Ų56.434%0.33530%0.298SS..Hα-helixtrans-62.4-35.4178.7-71.7-70.3-178.300112G139 V142 F143 V160 Y161 D162 V166 L167G139-M164 WeakPolarHBondContact O-CE 3.32Å; V142-M164 HydrophobicContact CB-CE 4.49Å; V142-M164 HydrophobicContact CG1-CE 4.44Å; F143-M164 HydrophobicContact CB-CE 3.83Å; F143-M164 HydrophobicContact CD2-CE 4.44Å; V160-M164 HydrophobicContact CG1-CG 4.42Å; V160-M164 VanDerWaalsContact O-CG 3.23Å; V160-M164 WeakPolarHBondContact O-CG 3.3Å; V160-M164 PolarHBondContact O-N 3.08Å; Y161-M164 PolarHBondContact O-N 3.27Å; D162-M164 PolarHBondContact O-N 3.22Å; M164-V166 VanDerWaalsContact C-N 3.28Å; M164-V166 PolarHBondContact O-N 2.91Å; M164-L167 PolarHBondContact O-N 2.91Å; M164-L167 HydrophobicContact SD-CD1 3.52Å; M164-L167 VanDerWaalsContact SD-CD1 3.52Å
165S89.4Confident86.2Confident67 Ų6756.3 Ų56.347%0.46930%0.298SS..Hα-helixtrans-68.9-25.2175.880.30000113.5Y161 D162 A163Y161-S165 PolarHBondContact O-N 2.8Å; D162-S165 PolarHBondContact O-N 2.9Å; D162-S165 PolarHBondContact O-OG 2.83Å; A163-S165 VanDerWaalsContact C-N 3.27Å; A163-S165 PolarHBondContact O-N 2.8Å
166V89.7Confident86.9Confident1 Ų152.4 Ų52.41%0.00628%0.278CS..Hα-helixtrans-85.9-26.4179.7171.30000112.2D162 A163 M164 P168 K169 L170 L174 P190 E191D162-V166 WeakPolarHBondContact O-CG2 3.24Å; D162-V166 PolarHBondContact O-N 3.42Å; A163-V166 PolarHBondContact O-N 2.87Å; A163-V166 VanDerWaalsContact O-N 3.1Å; M164-V166 VanDerWaalsContact C-N 3.28Å; M164-V166 PolarHBondContact O-N 2.91Å; V166-P168 VanDerWaalsContact C-CD 3.47Å; V166-P168 VanDerWaalsContact O-N 3.17Å; V166-K169 WeakPolarHBondContact O-CA 3.47Å; V166-K169 VanDerWaalsContact O-CB 3.27Å; V166-K169 WeakPolarHBondContact O-CB 3.3Å; V166-K169 PolarHBondContact O-N 3.46Å; V166-L170 PolarHBondContact O-N 2.88Å; V166-L174 HydrophobicContact CG1-CD1 3.81Å; V166-P190 HydrophobicContact CG2-CB 4.46Å; V166-E191 HydrophobicContact CG1-CB 4.48Å; V166-E191 HydrophobicContact CG1-CG 4.3Å; V166-E191 HydrophobicContact CG2-CG 4.48Å
167L89Confident87.7Confident9 Ų951.6 Ų51.65%0.04728%0.276CS..G310 helixtrans-47.9-45.6-175.3-77.6175.5000114.7I135 V138 A163 M164 K169 L170 I194I135-L167 HydrophobicContact CG2-CB 4.07Å; V138-L167 HydrophobicContact CB-CD2 4.31Å; V138-L167 HydrophobicContact CG1-CD2 3.82Å; A163-L167 PolarHBondContact O-N 2.9Å; A163-L167 VanDerWaalsContact O-N 3.14Å; M164-L167 PolarHBondContact O-N 2.91Å; M164-L167 HydrophobicContact SD-CD1 3.52Å; M164-L167 VanDerWaalsContact SD-CD1 3.52Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 3.32Å; L167-L170 HydrophobicContact CD2-CD1 3.84Å; L167-L170 WeakPolarHBondContact O-CB 3.48Å; L167-L170 PolarHBondContact O-N 3.35Å; L167-I194 HydrophobicContact CD2-CD1 3.61Å
168P87.4Confident88.3Confident59 Ų5947.8 Ų47.838%0.38326%0.258SS..G310 helixtrans-61.9-36.5177.4-23.135.4000112.7V166 L170 S171V166-P168 VanDerWaalsContact C-CD 3.47Å; V166-P168 VanDerWaalsContact O-N 3.17Å; P168-L170 PolarHBondContact O-N 2.94Å; P168-S171 PolarHBondContact O-N 3.21Å; P168-S171 PolarHBondContact O-OG 3.41Å
169K88.1Confident88.8Confident92 Ų9245.6 Ų45.640%0.425%0.247SC..G310 helixtrans-62.7-30.4-179.8-58.4-175.1-176.1-178.40112.1V166 L167 S171 T172 G173 E191V166-K169 WeakPolarHBondContact O-CA 3.47Å; V166-K169 VanDerWaalsContact O-CB 3.27Å; V166-K169 WeakPolarHBondContact O-CB 3.3Å; V166-K169 PolarHBondContact O-N 3.46Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 3.32Å; K169-S171 PolarHBondContact O-N 3.28Å; K169-T172 PolarHBondContact O-N 2.93Å; K169-T172 PolarHBondContact O-OG1 3.22Å; K169-G173 CarbonylContact C-O 3.57Å; K169-G173 CarbonylContact O-C 3.48Å; K169-G173 PolarHBondContact O-N 2.78Å; K169-E191 IonicContact NZ-OE1 3.9Å; K169-E191 PolarHBondContact NZ-OE1 3.27Å
170L87.5Confident89.2Confident0 Ų043.3 Ų43.30%024%0.235CC..G310 helixtrans-58.8-23.3179.5-61.7168.2000113.7P106 L107 I110 V166 L167 P168 L174 I194P106-L170 HydrophobicContact CB-CD2 3.97Å; L107-L170 HydrophobicContact CB-CB 3.9Å; L107-L170 WeakPolarHBondContact CB-O 3.5Å; L107-L170 HydrophobicContact CD1-CB 4.43Å; L107-L170 PolarHBondContact N-O 3.06Å; I110-L170 HydrophobicContact CD1-CD1 4.29Å; I110-L170 HydrophobicContact CD1-CD2 4.07Å; V166-L170 PolarHBondContact O-N 2.88Å; L167-L170 HydrophobicContact CD2-CD1 3.84Å; L167-L170 WeakPolarHBondContact O-CB 3.48Å; L167-L170 PolarHBondContact O-N 3.35Å; P168-L170 PolarHBondContact O-N 2.94Å; L170-L174 HydrophobicContact CD2-CD1 3.82Å; L170-L174 HydrophobicContact CD2-CD2 4.05Å; L170-L174 HydrophobicContact CD2-CG 4.38Å; L170-I194 HydrophobicContact CD1-CD1 3.42Å; L170-I194 VanDerWaalsContact CD1-CD1 3.42Å
171S85Confident89.4Confident19 Ų1948 Ų4813%0.13325%0.254CS..G310 helixtrans-79.7-25.7176.166.90000113.7G103 P104 P168 K169G103-S171 CarbonylContact C-O 3.55Å; P104-S171 WeakPolarHBondContact CA-O 3.15Å; P168-S171 PolarHBondContact O-N 3.21Å; P168-S171 PolarHBondContact O-OG 3.41Å; K169-S171 PolarHBondContact O-N 3.28Å
172T84.9Confident89.7Confident107 Ų10740.8 Ų40.866%0.65623%0.229SC*.THydrogen-bonded Turntrans-102.4-29-177.152.20000113G103 K169G103-T172 WeakPolarHBondContact CA-O 3.31Å; K169-T172 PolarHBondContact O-N 2.93Å; K169-T172 PolarHBondContact O-OG1 3.22Å
173G85.1Confident90Very high30 Ų3039.1 Ų39.131%0.30922%0.221SC..  trans148.6150.1-176.600000111.7K169K169-G173 CarbonylContact C-O 3.57Å; K169-G173 CarbonylContact O-C 3.48Å; K169-G173 PolarHBondContact O-N 2.78Å
174L88.6Confident90.3Very high12 Ų1243.6 Ų43.66%0.06324%0.24CC..  trans-121.5121.8179.8-166.771.8000109.9P106 V166 L170 V176 E191 F195 F298P106-L174 HydrophobicContact CB-CB 3.78Å; P106-L174 HydrophobicContact CB-CD2 4.3Å; P106-L174 HydrophobicContact CG-CB 3.6Å; V166-L174 HydrophobicContact CG1-CD1 3.81Å; L170-L174 HydrophobicContact CD2-CD1 3.82Å; L170-L174 HydrophobicContact CD2-CD2 4.05Å; L170-L174 HydrophobicContact CD2-CG 4.38Å; L174-V176 HydrophobicContact CD2-CG1 4.42Å; L174-E191 HydrophobicContact CD1-CB 3.48Å; L174-E191 VanDerWaalsContact CD1-CB 3.48Å; L174-E191 HydrophobicContact CD1-CG 3.52Å; L174-E191 HydrophobicContact CG-CB 3.97Å; L174-E191 HydrophobicContact CG-CG 4.29Å; L174-F195 HydrophobicContact CD2-CE2 3.55Å; L174-F195 HydrophobicContact CD2-CZ 3.85Å; L174-F298 HydrophobicContact CB-CE2 4.12Å; L174-F298 HydrophobicContact CB-CZ 4.09Å; L174-F298 HydrophobicContact CD2-CE1 4.41Å; L174-F298 HydrophobicContact CD2-CZ 4.17Å
175D88.3Confident90.6Very high132 Ų13243.2 Ų43.271%0.70624%0.238SC*.  trans-79.2122.7176.8-67.1-34.4000110
176V91.9Very high90.8Very high26 Ų2641.4 Ų41.416%0.15822%0.222CC..  trans-127.5139.9174.5-67.50000109.4L174 F186 L202 F293 F298L174-V176 HydrophobicContact CD2-CG1 4.42Å; V176-F186 HydrophobicContact CB-CD1 4.25Å; V176-F186 HydrophobicContact CB-CE1 4.42Å; V176-L202 HydrophobicContact CG1-CD2 4.36Å; V176-F293 HydrophobicContact CG2-CD1 3.81Å; V176-F293 HydrophobicContact CG2-CD2 3.52Å; V176-F293 HydrophobicContact CG2-CE1 3.7Å; V176-F293 HydrophobicContact CG2-CE2 3.37Å; V176-F293 HydrophobicContact CG2-CG 3.72Å; V176-F293 HydrophobicContact CG2-CZ 3.47Å; V176-F293 VanDerWaalsContact CG2-CZ 3.47Å; V176-F298 HydrophobicContact CB-CZ 4.49Å; V176-F298 HydrophobicContact CG1-CE1 4.07Å; V176-F298 HydrophobicContact CG1-CZ 3.73Å; V176-F298 HydrophobicContact CG2-CE1 4.49Å; V176-F298 HydrophobicContact CG2-CZ 3.91Å
177N93.9Very high91Very high7 Ų744.8 Ų44.84%0.03724%0.237CC..  trans-116.7104.5177.6-169.714.9000109.7F186 E187 S223 Y224 N225N177-F186 CarbonylContact O-C 3.58Å; N177-F186 WeakPolarHBondContact O-CA 3.43Å; N177-E187 HydrophobicContact CB-CB 3.97Å; N177-E187 PolarHBondContact ND2-OE2 3.48Å; N177-E187 PolarHBondContact O-N 2.89Å; N177-S223 VanDerWaalsContact ND2-CB 3.27Å; N177-S223 WeakPolarHBondContact ND2-CB 3.27Å; N177-S223 PolarHBondContact ND2-OG 3.31Å; N177-Y224 WeakPolarHBondContact OD1-CB 3.25Å; N177-Y224 PolarHBondContact OD1-N 3.35Å; N177-Y224 VanDerWaalsContact OD1-N 3.08Å; N177-N225 PolarHBondContact ND2-ND2 3.43Å; N177-N225 PolarHBondContact OD1-N 2.87Å; N177-N225 VanDerWaalsContact OD1-N 3.13Å
178V94.7Very high91Very high3 Ų351.1 Ų51.12%0.01826%0.262CS..BIsolated β-bridgetrans-74.8153.4-176-63.60000111.9F180 F186 H204 W206 S223 Y224 F293V178-F180 HydrophobicContact CG2-CE1 3.98Å; V178-F180 HydrophobicContact CG2-CZ 4.35Å; V178-F186 HydrophobicContact CG1-CD1 3.95Å; V178-F186 HydrophobicContact CG1-CE1 3.62Å; V178-F186 HydrophobicContact CG1-CZ 4.5Å; V178-H204 HydrophobicContact CG1-CB 4.19Å; V178-W206 HydrophobicContact CG2-CE3 3.73Å; V178-W206 HydrophobicContact CG2-CZ3 4.23Å; V178-S223 CarbonylContact O-C 3.44Å; V178-S223 WeakPolarHBondContact O-CA 3.24Å; V178-Y224 PolarHBondContact O-N 2.83Å; V178-F293 HydrophobicContact CG1-CD1 3.87Å; V178-F293 HydrophobicContact CG1-CE1 4.1Å
179K95.2Very high91Very high55 Ų5549.5 Ų49.524%0.23925%0.251CS..BIsolated β-bridgetrans-115.8134.3166.2-66.2-179.4177.9174.20110K181 E185 H204K179-K181 PolarHBondContact O-N 3.27Å; K179-E185 HydrophobicContact CB-CB 3.82Å; K179-E185 PolarHBondContact N-O 3.28Å; K179-H204 PolarHBondContact O-CE1 3.11Å; K179-H204 PolarHBondContact O-NE2 3.5Å
180F94.3Very high90.8Very high0 Ų048.3 Ų48.30%025%0.252CS..THydrogen-bonded Turntrans-82.416.3-168.4-48.6-78.3000115.2V178 W206 I207 S208 V219 L222 Y224 L227 F264 F265V178-F180 HydrophobicContact CG2-CE1 3.98Å; V178-F180 HydrophobicContact CG2-CZ 4.35Å; F180-W206 HydrophobicContact CD1-CD2 4.17Å; F180-W206 HydrophobicContact CD1-CG 4.04Å; F180-W206 WeakPolarHBondContact CD1-O 3.29Å; F180-W206 AromaticContact CE1-CD2 3.63Å; F180-W206 HydrophobicContact CE1-CD2 3.63Å; F180-W206 AromaticContact CE1-CE2 3.78Å; F180-W206 AromaticContact CE1-CE3 3.92Å; F180-W206 HydrophobicContact CE1-CE3 3.92Å; F180-W206 AromaticContact CE1-CG 4Å; F180-W206 HydrophobicContact CE1-CG 4Å; F180-W206 HydrophobicContact CE1-CH2 4.46Å; F180-W206 HydrophobicContact CE1-CZ2 4.24Å; F180-W206 HydrophobicContact CE1-CZ3 4.29Å; F180-I207 WeakPolarHBondContact O-CG2 3.35Å; F180-S208 PolarHBondContact O-N 3.17Å; F180-S208 PolarHBondContact O-OG 3.06Å; F180-V219 HydrophobicContact CB-CG1 3.5Å; F180-V219 VanDerWaalsContact CB-CG1 3.5Å; F180-V219 HydrophobicContact CD2-CG1 3.29Å; F180-V219 HydrophobicContact CE2-CG1 4.2Å; F180-V219 HydrophobicContact CG-CG1 3.62Å; F180-L222 WeakPolarHBondContact CD2-O 3.42Å; F180-Y224 HydrophobicContact CZ-CD2 4.2Å; F180-L227 HydrophobicContact CD2-CD2 4.12Å; F180-L227 HydrophobicContact CE2-CB 4.04Å; F180-L227 HydrophobicContact CE2-CD2 3.5Å; F180-L227 VanDerWaalsContact CE2-CD2 3.5Å; F180-L227 HydrophobicContact CE2-CG 4.4Å; F180-L227 HydrophobicContact CZ-CD2 3.94Å; F180-F264 HydrophobicContact CB-CZ 4.4Å; F180-F264 AromaticContact CD1-CE1 3.5Å; F180-F264 HydrophobicContact CD1-CE1 3.5Å; F180-F264 VanDerWaalsContact CD1-CE1 3.5Å; F180-F264 AromaticContact CD1-CZ 3.67Å; F180-F264 HydrophobicContact CD1-CZ 3.67Å; F180-F264 AromaticContact CE1-CE1 3.65Å; F180-F264 HydrophobicContact CE1-CE1 3.65Å; F180-F264 HydrophobicContact CE1-CZ 4.22Å; F180-F264 AromaticContact CG-CE1 4Å; F180-F264 HydrophobicContact CG-CE1 4Å; F180-F264 HydrophobicContact CG-CZ 4.19Å; F180-F264 HydrophobicContact CZ-CE1 4.26Å; F180-F265 HydrophobicContact CE1-CE1 4.37Å; F180-F265 AromaticContact CZ-CE1 3.95Å; F180-F265 HydrophobicContact CZ-CE1 3.95Å; F180-F265 HydrophobicContact CZ-CZ 4.38Å
181K91.7Very high90.8Very high117 Ų11749.5 Ų49.551%0.50926%0.258SS..THydrogen-bonded Turntrans-97-30.2-173.2-178.5-176.9172.9-163.70113K179 E185 N221K179-K181 PolarHBondContact O-N 3.27Å; K181-E185 WeakPolarHBondContact CB-OE2 3.25Å; K181-N221 WeakPolarHBondContact CD-OD1 3.46Å
182G93.1Very high91Very high13 Ų1349.1 Ų49.113%0.13426%0.255CS..SBendtrans-154.8161-175.800000112.3F184 E185 H204G182-F184 PolarHBondContact O-N 2.81Å; G182-E185 PolarHBondContact O-N 3.21Å; G182-H204 PolarHBondContact O-CE1 3.27Å; G182-H204 PolarHBondContact O-NE2 2.89Å
183A94.5Very high91.2Very high4 Ų444.1 Ų44.13%0.03322%0.224CC..THydrogen-bonded Turntrans-71.3-15-172.200000114.7C203 H204 I207 L280A183-C203 CarbonylContact O-C 3.48Å; A183-C203 WeakPolarHBondContact O-CA 3.34Å; A183-C203 WeakPolarHBondContact O-CB 3.34Å; A183-H204 WeakPolarHBondContact CA-O 3.1Å; A183-H204 PolarHBondContact O-CD2 2.82Å; A183-H204 PolarHBondContact O-N 2.75Å; A183-I207 HydrophobicContact CB-CD1 3.83Å; A183-I207 VanDerWaalsContact N-CD1 3.32Å; A183-L280 HydrophobicContact CB-CD2 3.81Å; A183-L280 HydrophobicContact CB-CG 4.21Å
184F95.1Very high91.4Very high94 Ų9442.7 Ų42.741%0.41221%0.21SC..THydrogen-bonded Turntrans-117.610.7-178.4-51-62.5000111.8G182 F186 T201 C203 A283 L284G182-F184 PolarHBondContact O-N 2.81Å; F184-F186 PolarHBondContact O-N 2.83Å; F184-T201 HydrophobicContact CD1-CG2 3.7Å; F184-T201 HydrophobicContact CE1-CG2 3.54Å; F184-T201 HydrophobicContact CZ-CG2 4.42Å; F184-C203 HydrophobicContact CD1-CB 3.65Å; F184-C203 HydrophobicContact CE1-CB 3.71Å; F184-A283 HydrophobicContact CE2-CB 3.63Å; F184-A283 HydrophobicContact CZ-CB 3.69Å; F184-L284 HydrophobicContact CE1-CD2 4.42Å
185E94.4Very high91.6Very high60 Ų6042.2 Ų42.228%0.2821%0.207SC..  trans-92.1107.4-174-63.9-164.7-159.600110.8K179 K181 G182 H204K179-E185 HydrophobicContact CB-CB 3.82Å; K179-E185 PolarHBondContact N-O 3.28Å; K181-E185 WeakPolarHBondContact CB-OE2 3.25Å; G182-E185 PolarHBondContact O-N 3.21Å; E185-H204 PolarHBondContact O-NE2 2.83Å
186F94.7Very high91.7Very high30 Ų3040.6 Ų40.613%0.13220%0.199CC..BIsolated β-bridgetrans-118.1156.5171.3-63-96.9000109.4V176 N177 V178 F184 L202 H204 F293V176-F186 HydrophobicContact CB-CD1 4.25Å; V176-F186 HydrophobicContact CB-CE1 4.42Å; N177-F186 CarbonylContact O-C 3.58Å; N177-F186 WeakPolarHBondContact O-CA 3.43Å; V178-F186 HydrophobicContact CG1-CD1 3.95Å; V178-F186 HydrophobicContact CG1-CE1 3.62Å; V178-F186 HydrophobicContact CG1-CZ 4.5Å; F184-F186 PolarHBondContact O-N 2.83Å; F186-L202 HydrophobicContact CD1-CD2 4.14Å; F186-L202 HydrophobicContact CD2-CD2 4.11Å; F186-L202 HydrophobicContact CD2-CG 4.3Å; F186-L202 HydrophobicContact CE1-CD2 3.94Å; F186-L202 HydrophobicContact CE1-CG 4.19Å; F186-L202 HydrophobicContact CE2-CB 4.29Å; F186-L202 HydrophobicContact CE2-CD2 3.95Å; F186-L202 HydrophobicContact CE2-CG 3.68Å; F186-L202 HydrophobicContact CG-CD2 4.22Å; F186-L202 HydrophobicContact CZ-CD1 4.4Å; F186-L202 HydrophobicContact CZ-CD2 3.85Å; F186-L202 HydrophobicContact CZ-CG 3.62Å; F186-H204 HydrophobicContact CE1-CB 4.37Å; F186-H204 AromaticContact CE1-CD2 3.99Å; F186-H204 AromaticContact CE2-CD2 3.64Å; F186-H204 HydrophobicContact CZ-CB 3.88Å; F186-H204 AromaticContact CZ-CD2 3.45Å; F186-H204 VanDerWaalsContact CZ-CD2 3.45Å; F186-H204 WeakPolarHBondContact CZ-CD2 3.37Å; F186-H204 AromaticContact CZ-CG 3.98Å; F186-F293 HydrophobicContact CE1-CB 4.44Å
187E93.5Very high91.6Very high72 Ų7239.6 Ų39.634%0.33619%0.192SC..  trans-67.9130.2159.6-169.1172.2160.300108.7N177 T189 S223N177-E187 HydrophobicContact CB-CB 3.97Å; N177-E187 PolarHBondContact ND2-OE2 3.48Å; N177-E187 PolarHBondContact O-N 2.89Å; E187-T189 PolarHBondContact O-N 2.89Å; E187-T189 VanDerWaalsContact O-N 3.14Å; E187-S223 PolarHBondContact OE2-OG 3.12Å
188Y89Confident91.5Very high142 Ų14239.3 Ų39.356%0.55719%0.191SC*.  trans-71.4112.2-179.6-175.3-96.3000109.4I193Y188-I193 WeakPolarHBondContact OH-CD1 3.16Å
189T86.9Confident91.4Very high25 Ų2543.7 Ų43.715%0.15321%0.214CC..  trans-117.6156.6174.460.70000109.6E187 E191 C192E187-T189 PolarHBondContact O-N 2.89Å; E187-T189 VanDerWaalsContact O-N 3.14Å; T189-E191 VanDerWaalsContact CB-OE2 3.29Å; T189-E191 WeakPolarHBondContact CB-OE2 3.19Å; T189-E191 PolarHBondContact O-N 3.45Å; T189-E191 VanDerWaalsContact O-N 3.09Å; T189-E191 PolarHBondContact OG1-OE2 3.02Å; T189-C192 WeakPolarHBondContact O-CB 3.46Å; T189-C192 PolarHBondContact O-N 2.85Å; T189-C192 PolarHBondContact OG1-SG 3.33Å; T189-C192 VanDerWaalsContact OG1-SG 3.37Å
190P85.3Confident91.4Very high67 Ų6741.3 Ų41.344%0.43520%0.204SC..G310 helixtrans-52-30.7172.5-26.135000112.5V166 C192 I193V166-P190 HydrophobicContact CG2-CB 4.46Å; P190-C192 VanDerWaalsContact C-N 3.3Å; P190-C192 PolarHBondContact O-N 3.47Å; P190-I193 WeakPolarHBondContact O-CB 3.12Å; P190-I193 WeakPolarHBondContact O-CG2 3.29Å; P190-I193 PolarHBondContact O-N 3.43Å
191E86.5Confident91.5Very high24 Ų2443.5 Ų43.511%0.11222%0.217CC..G310 helixtrans-61.1-33.4176-7274.5-161.900113.6V166 K169 L174 T189 I193 I194V166-E191 HydrophobicContact CG1-CB 4.48Å; V166-E191 HydrophobicContact CG1-CG 4.3Å; V166-E191 HydrophobicContact CG2-CG 4.48Å; K169-E191 IonicContact NZ-OE1 3.9Å; K169-E191 PolarHBondContact NZ-OE1 3.27Å; L174-E191 HydrophobicContact CD1-CB 3.48Å; L174-E191 VanDerWaalsContact CD1-CB 3.48Å; L174-E191 HydrophobicContact CD1-CG 3.52Å; L174-E191 HydrophobicContact CG-CB 3.97Å; L174-E191 HydrophobicContact CG-CG 4.29Å; T189-E191 VanDerWaalsContact CB-OE2 3.29Å; T189-E191 WeakPolarHBondContact CB-OE2 3.19Å; T189-E191 PolarHBondContact O-N 3.45Å; T189-E191 VanDerWaalsContact O-N 3.09Å; T189-E191 PolarHBondContact OG1-OE2 3.02Å; E191-I193 VanDerWaalsContact C-N 3.31Å; E191-I193 PolarHBondContact O-N 2.9Å; E191-I194 WeakPolarHBondContact O-CG2 3.46Å
192C88.9Confident91.7Very high11 Ų1138.7 Ų38.77%0.07420%0.197CC..G310 helixtrans-75.7-20.8-178.2-66.30000113T189 P190 I194 F195T189-C192 WeakPolarHBondContact O-CB 3.46Å; T189-C192 PolarHBondContact O-N 2.85Å; T189-C192 PolarHBondContact OG1-SG 3.33Å; T189-C192 VanDerWaalsContact OG1-SG 3.37Å; P190-C192 VanDerWaalsContact C-N 3.3Å; P190-C192 PolarHBondContact O-N 3.47Å; C192-I194 PolarHBondContact O-N 3.42Å; C192-I194 VanDerWaalsContact O-N 3.13Å; C192-F195 PolarHBondContact O-N 3.38Å; C192-F195 VanDerWaalsContact O-N 3.1Å
193I88.8Confident91.9Very high2 Ų238.1 Ų38.11%0.0119%0.191CC..Hα-helixtrans-60.4-30-172.3-152.7164.2000113N159 D162 A163 Y188 P190 E191 F195 D196 L197N159-I193 VanDerWaalsContact CA-CD1 3.43Å; N159-I193 HydrophobicContact CB-CD1 3.47Å; N159-I193 VanDerWaalsContact CB-CD1 3.47Å; N159-I193 HydrophobicContact CB-CG1 4.07Å; N159-I193 WeakPolarHBondContact OD1-CD1 3.27Å; D162-I193 HydrophobicContact CB-CD1 4.2Å; A163-I193 HydrophobicContact CB-CG2 3.8Å; Y188-I193 WeakPolarHBondContact OH-CD1 3.16Å; P190-I193 WeakPolarHBondContact O-CB 3.12Å; P190-I193 WeakPolarHBondContact O-CG2 3.29Å; P190-I193 PolarHBondContact O-N 3.43Å; E191-I193 VanDerWaalsContact C-N 3.31Å; E191-I193 PolarHBondContact O-N 2.9Å; I193-F195 VanDerWaalsContact C-N 3.29Å; I193-F195 PolarHBondContact O-N 2.91Å; I193-D196 PolarHBondContact O-N 2.89Å; I193-L197 WeakPolarHBondContact O-CG 3.43Å; I193-L197 PolarHBondContact O-N 3.35Å
194I90.8Very high92Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-65-36.6-178.7-166.3172.3000111.6I110 V138 V142 L167 L170 E191 C192 L198I110-I194 HydrophobicContact CD1-CD1 4.2Å; I110-I194 HydrophobicContact CD1-CG2 4.04Å; V138-I194 HydrophobicContact CG1-CD1 3.97Å; V142-I194 HydrophobicContact CG2-CG1 4.3Å; L167-I194 HydrophobicContact CD2-CD1 3.61Å; L170-I194 HydrophobicContact CD1-CD1 3.42Å; L170-I194 VanDerWaalsContact CD1-CD1 3.42Å; E191-I194 WeakPolarHBondContact O-CG2 3.46Å; C192-I194 PolarHBondContact O-N 3.42Å; C192-I194 VanDerWaalsContact O-N 3.13Å; I194-L198 HydrophobicContact CD1-CD1 4.33Å; I194-L198 HydrophobicContact CG1-CD1 3.74Å; I194-L198 HydrophobicContact CG1-CG 4.48Å; I194-L198 WeakPolarHBondContact O-CB 3.33Å; I194-L198 WeakPolarHBondContact O-CD1 3.46Å; I194-L198 VanDerWaalsContact O-CG 3.31Å; I194-L198 WeakPolarHBondContact O-CG 3.49Å; I194-L198 PolarHBondContact O-N 3.49Å; I194-L198 VanDerWaalsContact O-N 3.11Å
195F92.8Very high92Very high2 Ų233.5 Ų33.51%0.00917%0.17CC..Hα-helixtrans-66.6-42.6176.3-61.5-75.8000110.4I110 L174 C192 I193 L198 N199 I200 L202 V291 F298I110-F195 HydrophobicContact CD1-CD1 4.34Å; I110-F195 HydrophobicContact CD1-CE1 3.8Å; I110-F195 HydrophobicContact CD1-CZ 4.11Å; I110-F195 HydrophobicContact CG1-CD1 4.19Å; I110-F195 HydrophobicContact CG1-CE1 3.64Å; I110-F195 HydrophobicContact CG1-CZ 4.36Å; L174-F195 HydrophobicContact CD2-CE2 3.55Å; L174-F195 HydrophobicContact CD2-CZ 3.85Å; C192-F195 PolarHBondContact O-N 3.38Å; C192-F195 VanDerWaalsContact O-N 3.1Å; I193-F195 VanDerWaalsContact C-N 3.29Å; I193-F195 PolarHBondContact O-N 2.91Å; F195-L198 PolarHBondContact O-N 2.92Å; F195-N199 PolarHBondContact O-N 3.39Å; F195-N199 VanDerWaalsContact O-N 3.11Å; F195-I200 HydrophobicContact CB-CB 4.31Å; F195-I200 HydrophobicContact CD1-CB 4.11Å; F195-I200 HydrophobicContact CD1-CG2 3.81Å; F195-I200 PolarHBondContact O-N 3.43Å; F195-L202 HydrophobicContact CB-CB 4.49Å; F195-L202 HydrophobicContact CD2-CB 4.38Å; F195-L202 HydrophobicContact CD2-CD2 4.01Å; F195-L202 HydrophobicContact CE1-CD1 4.27Å; F195-L202 HydrophobicContact CE2-CD1 4.27Å; F195-L202 HydrophobicContact CE2-CD2 3.95Å; F195-L202 HydrophobicContact CG-CB 4.23Å; F195-L202 HydrophobicContact CZ-CD1 4.07Å; F195-V291 HydrophobicContact CE1-CB 4.25Å; F195-V291 HydrophobicContact CE1-CG1 4.21Å; F195-V291 HydrophobicContact CE1-CG2 4.17Å; F195-F298 HydrophobicContact CZ-CD1 4.39Å; F195-F298 HydrophobicContact CZ-CE1 4.24Å
196D89.5Confident92Very high99 Ų9931.4 Ų31.453%0.52916%0.16SC..Hα-helixtrans-64.9-43.2178.7-71.7-17.5000112.3I193 N199I193-D196 PolarHBondContact O-N 2.89Å; D196-N199 PolarHBondContact O-N 3.34Å
197L89.8Confident92Very high5 Ų530 Ų303%0.02615%0.154CC..Hα-helixtrans-60.7-49.7177.3-69.8-178.9000110.7V142 Q145 Y156 N159 V160 A163 I193 N199V142-L197 HydrophobicContact CG1-CD1 3.74Å; Q145-L197 PolarHBondContact OE1-O 3.28Å; Y156-L197 HydrophobicContact CD2-CD2 3.96Å; Y156-L197 HydrophobicContact CE2-CD2 3.18Å; N159-L197 HydrophobicContact CB-CD2 4.27Å; V160-L197 HydrophobicContact CG2-CD1 4.36Å; A163-L197 HydrophobicContact CB-CD1 3.56Å; I193-L197 WeakPolarHBondContact O-CG 3.43Å; I193-L197 PolarHBondContact O-N 3.35Å; L197-N199 PolarHBondContact O-N 3.23Å; L197-N199 VanDerWaalsContact O-N 3.17Å
198L91.9Very high92Very high1 Ų126.7 Ų26.71%0.00514%0.138CC..THydrogen-bonded Turntrans-75.33.6-179.1-63.3168000114I110 L114 V138 L141 V142 I194 F195 I200I110-L198 HydrophobicContact CG2-CD1 3.7Å; L114-L198 HydrophobicContact CD1-CD1 4.28Å; L114-L198 HydrophobicContact CD1-CD2 4.4Å; V138-L198 HydrophobicContact CG1-CD1 3.92Å; L141-L198 HydrophobicContact CB-CD2 4.08Å; V142-L198 HydrophobicContact CG2-CD1 4.28Å; V142-L198 HydrophobicContact CG2-CD2 3.86Å; V142-L198 HydrophobicContact CG2-CG 4.03Å; I194-L198 HydrophobicContact CD1-CD1 4.33Å; I194-L198 HydrophobicContact CG1-CD1 3.74Å; I194-L198 HydrophobicContact CG1-CG 4.48Å; I194-L198 WeakPolarHBondContact O-CB 3.33Å; I194-L198 WeakPolarHBondContact O-CD1 3.46Å; I194-L198 VanDerWaalsContact O-CG 3.31Å; I194-L198 WeakPolarHBondContact O-CG 3.49Å; I194-L198 PolarHBondContact O-N 3.49Å; I194-L198 VanDerWaalsContact O-N 3.11Å; F195-L198 PolarHBondContact O-N 2.92Å; L198-I200 HydrophobicContact CB-CD1 3.76Å; L198-I200 HydrophobicContact CB-CG1 3.8Å; L198-I200 HydrophobicContact CD1-CD1 4.1Å; L198-I200 PolarHBondContact O-N 3.46Å
199N92.4Very high92.2Very high95 Ų9522.6 Ų22.651%0.50813%0.126SC..THydrogen-bonded Turntrans50.942-173.5-53.9-45.3000112.3R117 F195 D196 L197R117-N199 PolarHBondContact NH1-O 3.44Å; R117-N199 PolarHBondContact NH2-O 2.92Å; R117-N199 VanDerWaalsContact NH2-O 3.17Å; F195-N199 PolarHBondContact O-N 3.39Å; F195-N199 VanDerWaalsContact O-N 3.11Å; D196-N199 PolarHBondContact O-N 3.34Å; L197-N199 PolarHBondContact O-N 3.23Å; L197-N199 VanDerWaalsContact O-N 3.17Å
200I95.7Very high92.5Very high5 Ų524 Ų243%0.02614%0.135CC..PPolyproline II helixtrans-99.3124.3176.5-60.8178.4000108.1I110 L113 L114 F195 L198 L202 V291I110-I200 HydrophobicContact CB-CD1 4.39Å; I110-I200 HydrophobicContact CG1-CD1 4.31Å; I110-I200 HydrophobicContact CG2-CD1 3.88Å; L113-I200 HydrophobicContact CD1-CG2 3.73Å; L113-I200 HydrophobicContact CD2-CD1 3.85Å; L113-I200 HydrophobicContact CD2-CG1 3.72Å; L113-I200 HydrophobicContact CD2-CG2 4.37Å; L114-I200 HydrophobicContact CD2-CD1 4.26Å; L114-I200 HydrophobicContact CG-CD1 4.29Å; F195-I200 HydrophobicContact CB-CB 4.31Å; F195-I200 HydrophobicContact CD1-CB 4.11Å; F195-I200 HydrophobicContact CD1-CG2 3.81Å; F195-I200 PolarHBondContact O-N 3.43Å; L198-I200 HydrophobicContact CB-CD1 3.76Å; L198-I200 HydrophobicContact CB-CG1 3.8Å; L198-I200 HydrophobicContact CD1-CD1 4.1Å; L198-I200 PolarHBondContact O-N 3.46Å; I200-L202 PolarHBondContact O-N 2.93Å; I200-V291 HydrophobicContact CG2-CB 4.31Å; I200-V291 HydrophobicContact CG2-CG2 3.58Å
201T96Very high92.8Very high45 Ų4526.4 Ų26.428%0.27615%0.149SC..EExtended strand (participates in β ladder)trans-77.2117.3174.3-50.40000109.1F184 H288 A290 V291F184-T201 HydrophobicContact CD1-CG2 3.7Å; F184-T201 HydrophobicContact CE1-CG2 3.54Å; F184-T201 HydrophobicContact CZ-CG2 4.42Å; T201-H288 PolarHBondContact OG1-NE2 3.28Å; T201-A290 HydrophobicContact CG2-CB 4.5Å; T201-A290 WeakPolarHBondContact O-CA 3.27Å; T201-A290 VanDerWaalsContact O-CB 3.32Å; T201-A290 WeakPolarHBondContact O-CB 3.45Å; T201-V291 PolarHBondContact O-N 3.29Å
202L96.1Very high93Very high17 Ų1728 Ų289%0.08916%0.158CC..EExtended strand (participates in β ladder)trans-89132.2168.7-176.765.8000109.5V176 F186 F195 I200 V291 F298V176-L202 HydrophobicContact CG1-CD2 4.36Å; F186-L202 HydrophobicContact CD1-CD2 4.14Å; F186-L202 HydrophobicContact CD2-CD2 4.11Å; F186-L202 HydrophobicContact CD2-CG 4.3Å; F186-L202 HydrophobicContact CE1-CD2 3.94Å; F186-L202 HydrophobicContact CE1-CG 4.19Å; F186-L202 HydrophobicContact CE2-CB 4.29Å; F186-L202 HydrophobicContact CE2-CD2 3.95Å; F186-L202 HydrophobicContact CE2-CG 3.68Å; F186-L202 HydrophobicContact CG-CD2 4.22Å; F186-L202 HydrophobicContact CZ-CD1 4.4Å; F186-L202 HydrophobicContact CZ-CD2 3.85Å; F186-L202 HydrophobicContact CZ-CG 3.62Å; F195-L202 HydrophobicContact CB-CB 4.49Å; F195-L202 HydrophobicContact CD2-CB 4.38Å; F195-L202 HydrophobicContact CD2-CD2 4.01Å; F195-L202 HydrophobicContact CE1-CD1 4.27Å; F195-L202 HydrophobicContact CE2-CD1 4.27Å; F195-L202 HydrophobicContact CE2-CD2 3.95Å; F195-L202 HydrophobicContact CG-CB 4.23Å; F195-L202 HydrophobicContact CZ-CD1 4.07Å; I200-L202 PolarHBondContact O-N 2.93Å; L202-V291 HydrophobicContact CD1-CB 4.14Å; L202-V291 HydrophobicContact CD1-CG1 3.9Å; L202-F298 HydrophobicContact CD1-CD1 4.13Å; L202-F298 HydrophobicContact CD1-CE1 3.96Å
203C96.8Very high93.1Very high0 Ų031.2 Ų31.20%018%0.178CC..EExtended strand (participates in β ladder)trans-140.5160.1-178.967.30000112.3A183 F184 L280 V291 L292 F293A183-C203 CarbonylContact O-C 3.48Å; A183-C203 WeakPolarHBondContact O-CA 3.34Å; A183-C203 WeakPolarHBondContact O-CB 3.34Å; F184-C203 HydrophobicContact CD1-CB 3.65Å; F184-C203 HydrophobicContact CE1-CB 3.71Å; C203-L280 HydrophobicContact CB-CD2 3.86Å; C203-V291 PolarHBondContact N-O 3.41Å; C203-V291 PolarHBondContact SG-O 3.3Å; C203-L292 CarbonylContact O-C 3.42Å; C203-L292 WeakPolarHBondContact O-CA 3.12Å; C203-F293 PolarHBondContact O-N 3.1Å
204H96.5Very high93.1Very high1 Ų134.9 Ų34.91%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-143158.4173.170.2102.1000110.2V178 K179 G182 A183 E185 F186 W206 F293V178-H204 HydrophobicContact CG1-CB 4.19Å; K179-H204 PolarHBondContact O-CE1 3.11Å; K179-H204 PolarHBondContact O-NE2 3.5Å; G182-H204 PolarHBondContact O-CE1 3.27Å; G182-H204 PolarHBondContact O-NE2 2.89Å; A183-H204 WeakPolarHBondContact CA-O 3.1Å; A183-H204 PolarHBondContact O-CD2 2.82Å; A183-H204 PolarHBondContact O-N 2.75Å; E185-H204 PolarHBondContact O-NE2 2.83Å; F186-H204 HydrophobicContact CE1-CB 4.37Å; F186-H204 AromaticContact CE1-CD2 3.99Å; F186-H204 AromaticContact CE2-CD2 3.64Å; F186-H204 HydrophobicContact CZ-CB 3.88Å; F186-H204 AromaticContact CZ-CD2 3.45Å; F186-H204 VanDerWaalsContact CZ-CD2 3.45Å; F186-H204 WeakPolarHBondContact CZ-CD2 3.37Å; F186-H204 AromaticContact CZ-CG 3.98Å; H204-W206 PolarHBondContact CE1-O 3.42Å; H204-W206 PolarHBondContact ND1-N 3.48Å; H204-W206 PolarHBondContact ND1-O 2.98Å; H204-F293 HydrophobicContact CB-CB 4.49Å
205G95.1Very high93Very high1 Ų137 Ų371%0.0121%0.206CC..  trans-105.111.6178.900000114I207 T273 G276G205-I207 PolarHBondContact O-N 2.93Å; G205-T273 PolarHBondContact O-N 3.39Å; G205-T273 PolarHBondContact O-OG1 3.02Å; G205-G276 WeakPolarHBondContact O-CA 3.3Å
206W95.2Very high92.9Very high16 Ų1639.6 Ų39.66%0.06122%0.217CC..  trans-88.976.2-176.9-155.91.1000111V178 F180 H204 Y224 F264 F265 S268 Q271V178-W206 HydrophobicContact CG2-CE3 3.73Å; V178-W206 HydrophobicContact CG2-CZ3 4.23Å; F180-W206 HydrophobicContact CD1-CD2 4.17Å; F180-W206 HydrophobicContact CD1-CG 4.04Å; F180-W206 WeakPolarHBondContact CD1-O 3.29Å; F180-W206 AromaticContact CE1-CD2 3.63Å; F180-W206 HydrophobicContact CE1-CD2 3.63Å; F180-W206 AromaticContact CE1-CE2 3.78Å; F180-W206 AromaticContact CE1-CE3 3.92Å; F180-W206 HydrophobicContact CE1-CE3 3.92Å; F180-W206 AromaticContact CE1-CG 4Å; F180-W206 HydrophobicContact CE1-CG 4Å; F180-W206 HydrophobicContact CE1-CH2 4.46Å; F180-W206 HydrophobicContact CE1-CZ2 4.24Å; F180-W206 HydrophobicContact CE1-CZ3 4.29Å; H204-W206 PolarHBondContact CE1-O 3.42Å; H204-W206 PolarHBondContact ND1-N 3.48Å; H204-W206 PolarHBondContact ND1-O 2.98Å; W206-Y224 AromaticContact CH2-CD2 3.61Å; W206-Y224 HydrophobicContact CH2-CD2 3.61Å; W206-Y224 AromaticContact CH2-CE2 3.72Å; W206-Y224 HydrophobicContact CH2-CE2 3.72Å; W206-Y224 AromaticContact CZ3-CD2 3.72Å; W206-Y224 HydrophobicContact CZ3-CD2 3.72Å; W206-Y224 HydrophobicContact CZ3-CE2 4.12Å; W206-F264 AromaticContact CD1-CZ 3.51Å; W206-F264 AromaticContact NE1-CE1 3.48Å; W206-F264 AromaticContact NE1-CZ 3.41Å; W206-F265 HydrophobicContact CH2-CD1 4.1Å; W206-F265 AromaticContact CH2-CE1 3.82Å; W206-F265 HydrophobicContact CH2-CE1 3.82Å; W206-F265 AromaticContact CZ2-CD1 3.54Å; W206-F265 HydrophobicContact CZ2-CD1 3.54Å; W206-F265 AromaticContact CZ2-CE1 3.61Å; W206-F265 HydrophobicContact CZ2-CE1 3.61Å; W206-S268 VanDerWaalsContact NE1-CB 3.29Å; W206-S268 PolarHBondContact NE1-OG 2.82Å; W206-Q271 WeakPolarHBondContact CB-O 3.21Å; W206-Q271 HydrophobicContact CD2-CB 3.98Å; W206-Q271 HydrophobicContact CD2-CG 4.21Å; W206-Q271 HydrophobicContact CE3-CB 3.85Å; W206-Q271 HydrophobicContact CE3-CG 3.78Å; W206-Q271 HydrophobicContact CG-CB 4.37Å; W206-Q271 HydrophobicContact CH2-CG 4.01Å; W206-Q271 HydrophobicContact CZ2-CG 4.36Å; W206-Q271 HydrophobicContact CZ3-CB 4.31Å; W206-Q271 HydrophobicContact CZ3-CG 3.72Å
207I94.8Very high92.9Very high1 Ų141.4 Ų41.41%0.00522%0.223CC..  trans-118.3134.4-173.3-50.1-177.9000110.4F180 A183 G205 T273 Y275F180-I207 WeakPolarHBondContact O-CG2 3.35Å; A183-I207 HydrophobicContact CB-CD1 3.83Å; A183-I207 VanDerWaalsContact N-CD1 3.32Å; G205-I207 PolarHBondContact O-N 2.93Å; I207-T273 PolarHBondContact N-OG1 3.24Å; I207-T273 WeakPolarHBondContact O-CB 3.25Å; I207-T273 WeakPolarHBondContact O-CG2 3.31Å; I207-T273 PolarHBondContact O-OG1 3.38Å; I207-Y275 HydrophobicContact CB-CD1 4.11Å; I207-Y275 HydrophobicContact CG2-CD1 3.67Å; I207-Y275 HydrophobicContact CG2-CE1 3.76Å
208S93.6Very high92.8Very high2 Ų241.3 Ų41.31%0.01422%0.223CC..  trans-69.5131.7173.161.90000110.7F180 P210 H216F180-S208 PolarHBondContact O-N 3.17Å; F180-S208 PolarHBondContact O-OG 3.06Å; S208-P210 VanDerWaalsContact O-CD 3.3Å; S208-P210 WeakPolarHBondContact O-CD 3.27Å; S208-H216 PolarHBondContact OG-CE1 3.47Å; S208-H216 PolarHBondContact OG-ND1 2.97Å
209D93.4Very high92.8Very high56 Ų5641.3 Ų41.330%0.29922%0.222SC..  trans-77.8116.9-178.5-170.7-24.2000110.5T211 N212 Y275D209-T211 PolarHBondContact O-N 2.89Å; D209-T211 VanDerWaalsContact OD1-CB 3.31Å; D209-T211 WeakPolarHBondContact OD1-CB 3.48Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.32Å; D209-T211 PolarHBondContact OD1-N 2.94Å; D209-T211 PolarHBondContact OD1-OG1 2.89Å; D209-T211 PolarHBondContact OD2-OG1 2.9Å; D209-T211 VanDerWaalsContact OD2-OG1 3.14Å; D209-N212 PolarHBondContact O-N 3.35Å; D209-Y275 HydrophobicContact CB-CG 4.21Å
210P92.2Very high92.5Very high54 Ų5438 Ų3835%0.35121%0.211SC..THydrogen-bonded Turntrans-63.2-20.5179.2-21.133.9000114S208 N212 Y275S208-P210 VanDerWaalsContact O-CD 3.3Å; S208-P210 WeakPolarHBondContact O-CD 3.27Å; P210-N212 PolarHBondContact O-N 2.93Å; P210-Y275 VanDerWaalsContact CD-CE2 3.48Å; P210-Y275 HydrophobicContact CG-CE1 4.13Å; P210-Y275 HydrophobicContact CG-CE2 4.16Å
211T92Very high92.3Very high118 Ų11842 Ų4272%0.72423%0.233SC*.THydrogen-bonded Turntrans-67.1-28.9175.665.80000111.7D209 T213D209-T211 PolarHBondContact O-N 2.89Å; D209-T211 VanDerWaalsContact OD1-CB 3.31Å; D209-T211 WeakPolarHBondContact OD1-CB 3.48Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.32Å; D209-T211 PolarHBondContact OD1-N 2.94Å; D209-T211 PolarHBondContact OD1-OG1 2.89Å; D209-T211 PolarHBondContact OD2-OG1 2.9Å; D209-T211 VanDerWaalsContact OD2-OG1 3.14Å; T211-T213 PolarHBondContact O-N 3.23Å
212N90.2Very high92.1Very high57 Ų5742.1 Ų42.131%0.30523%0.231SC..SBendtrans-9180.5169.7-167.9-26.5000109.8D209 P210 E214 M215 H216D209-N212 PolarHBondContact O-N 3.35Å; P210-N212 PolarHBondContact O-N 2.93Å; N212-E214 PolarHBondContact O-N 2.91Å; N212-M215 HydrophobicContact CB-CB 4.36Å; N212-M215 VanDerWaalsContact ND2-CE 3.29Å; N212-M215 WeakPolarHBondContact ND2-CE 3.39Å; N212-M215 WeakPolarHBondContact ND2-CG 3.34Å; N212-M215 PolarHBondContact ND2-SD 3.35Å; N212-M215 PolarHBondContact O-N 2.7Å; N212-M215 PolarHBondContact OD1-N 3.03Å; N212-H216 VanDerWaalsContact O-CB 3.28Å; N212-H216 WeakPolarHBondContact O-CB 3.2Å; N212-H216 PolarHBondContact O-N 3.49Å
213T91Very high92Very high78 Ų7841.3 Ų41.348%0.47923%0.227SC..Hα-helixtrans-56.2-36.4-173.3-51.50000113.1T211 Q217T211-T213 PolarHBondContact O-N 3.23Å; T213-Q217 HydrophobicContact CG2-CG 4.26Å; T213-Q217 VanDerWaalsContact CG2-NE2 3.34Å; T213-Q217 VanDerWaalsContact O-CB 3.23Å; T213-Q217 WeakPolarHBondContact O-CB 3.44Å; T213-Q217 WeakPolarHBondContact O-CG 3.48Å; T213-Q217 PolarHBondContact O-N 2.78Å
214E89.1Confident91.9Very high80 Ų8045.7 Ų45.737%0.37424%0.244SC..Hα-helixtrans-70.9-46.2-177.2-55.9-170.1132.100111.9N212 A218 R256 Y260N212-E214 PolarHBondContact O-N 2.91Å; E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.39Å; E214-R256 IonicContact OE1-CZ 3.84Å; E214-R256 IonicContact OE1-NH1 3.32Å; E214-R256 PolarHBondContact OE1-NH1 3.24Å; E214-R256 IonicContact OE1-NH2 2.64Å; E214-R256 IonicContact OE2-NH1 2.71Å; E214-Y260 HydrophobicContact CB-CD1 4.23Å; E214-Y260 HydrophobicContact CB-CD2 4.06Å; E214-Y260 HydrophobicContact CB-CE1 3.91Å; E214-Y260 HydrophobicContact CB-CE2 3.71Å; E214-Y260 HydrophobicContact CB-CG 4.34Å; E214-Y260 HydrophobicContact CG-CE2 4.43Å; E214-Y260 PolarHBondContact OE1-OH 3.37Å; E214-Y260 WeakPolarHBondContact OE2-CE1 3.38Å; E214-Y260 PolarHBondContact OE2-OH 2.98Å
215M88.5Confident91.8Very high45 Ų4549.5 Ų49.522%0.22227%0.265CS..Hα-helixtrans-66.7-43.7174.6-67.5-175.4-16600111.6N212 Q217 A218 V219 Y260 A263N212-M215 HydrophobicContact CB-CB 4.36Å; N212-M215 VanDerWaalsContact ND2-CE 3.29Å; N212-M215 WeakPolarHBondContact ND2-CE 3.39Å; N212-M215 WeakPolarHBondContact ND2-CG 3.34Å; N212-M215 PolarHBondContact ND2-SD 3.35Å; N212-M215 PolarHBondContact O-N 2.7Å; N212-M215 PolarHBondContact OD1-N 3.03Å; M215-Q217 VanDerWaalsContact C-N 3.33Å; M215-Q217 PolarHBondContact O-N 3.12Å; M215-A218 PolarHBondContact O-N 3.32Å; M215-V219 WeakPolarHBondContact O-CG2 3.28Å; M215-V219 PolarHBondContact O-N 2.85Å; M215-Y260 HydrophobicContact CG-CD1 4.08Å; M215-A263 HydrophobicContact CE-CB 4.19Å
216H90.8Very high91.6Very high56 Ų5653.4 Ų53.426%0.25928%0.283SS..Hα-helixtrans-62.1-39.6178.8-173.970.4000112.1S208 N212 G220S208-H216 PolarHBondContact OG-CE1 3.47Å; S208-H216 PolarHBondContact OG-ND1 2.97Å; N212-H216 VanDerWaalsContact O-CB 3.28Å; N212-H216 WeakPolarHBondContact O-CB 3.2Å; N212-H216 PolarHBondContact O-N 3.49Å; H216-G220 WeakPolarHBondContact O-CA 3.07Å; H216-G220 PolarHBondContact O-N 3.18Å
217Q90.2Very high91.4Very high137 Ų13752.7 Ų52.764%0.6428%0.28SS*.Hα-helixtrans-68.8-38.8174.3-76.4174.90.200112.7T213 M215T213-Q217 HydrophobicContact CG2-CG 4.26Å; T213-Q217 VanDerWaalsContact CG2-NE2 3.34Å; T213-Q217 VanDerWaalsContact O-CB 3.23Å; T213-Q217 WeakPolarHBondContact O-CB 3.44Å; T213-Q217 WeakPolarHBondContact O-CG 3.48Å; T213-Q217 PolarHBondContact O-N 2.78Å; M215-Q217 VanDerWaalsContact C-N 3.33Å; M215-Q217 PolarHBondContact O-N 3.12Å
218A88.1Confident91.2Very high3 Ų354.6 Ų54.63%0.02529%0.292CS..Hα-helixtrans-64.9-41.8179.600000112.5E214 M215 K230 S257E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.39Å; M215-A218 PolarHBondContact O-N 3.32Å; A218-K230 PolarHBondContact O-NZ 3.48Å; A218-S257 WeakPolarHBondContact CA-OG 3.38Å; A218-S257 WeakPolarHBondContact CB-O 3.4Å; A218-S257 WeakPolarHBondContact CB-OG 3.29Å
219V90.3Very high91Very high0 Ų059.9 Ų59.90%032%0.316CS..Hα-helixtrans-74.2-44.5175.8175.60000111F180 M215 N221 L222 L227 F264F180-V219 HydrophobicContact CB-CG1 3.5Å; F180-V219 VanDerWaalsContact CB-CG1 3.5Å; F180-V219 HydrophobicContact CD2-CG1 3.29Å; F180-V219 HydrophobicContact CE2-CG1 4.2Å; F180-V219 HydrophobicContact CG-CG1 3.62Å; M215-V219 WeakPolarHBondContact O-CG2 3.28Å; M215-V219 PolarHBondContact O-N 2.85Å; V219-N221 PolarHBondContact O-N 3.47Å; V219-L222 WeakPolarHBondContact O-CB 3.48Å; V219-L222 VanDerWaalsContact O-CG 3.3Å; V219-L222 WeakPolarHBondContact O-CG 3.41Å; V219-L222 PolarHBondContact O-N 2.83Å; V219-L227 HydrophobicContact CG1-CD2 4.17Å; V219-L227 HydrophobicContact CG2-CD1 4.5Å; V219-L227 HydrophobicContact CG2-CD2 4.06Å; V219-F264 HydrophobicContact CG2-CB 4.13Å; V219-F264 HydrophobicContact CG2-CD1 3.91Å; V219-F264 HydrophobicContact CG2-CE1 4.47Å; V219-F264 HydrophobicContact CG2-CG 3.93Å
220G87.2Confident90.6Very high27 Ų2759.9 Ų59.928%0.27831%0.313SS..THydrogen-bonded Turntrans57.6-133.6176.100000113.1H216H216-G220 WeakPolarHBondContact O-CA 3.07Å; H216-G220 PolarHBondContact O-N 3.18Å
221N91Very high90.2Very high89 Ų8958 Ų5848%0.47630%0.3SS..THydrogen-bonded Turntrans-103.522178.1-162.844.2000112.4K181 V219K181-N221 WeakPolarHBondContact CD-OD1 3.46Å; V219-N221 PolarHBondContact O-N 3.47Å
222L92.5Very high89.8Confident46 Ų4657.2 Ų57.224%0.24129%0.291CS..  trans-75.9145.1-177.9-59174000110.1F180 V219 Q226 L227 K230F180-L222 WeakPolarHBondContact CD2-O 3.42Å; V219-L222 WeakPolarHBondContact O-CB 3.48Å; V219-L222 VanDerWaalsContact O-CG 3.3Å; V219-L222 WeakPolarHBondContact O-CG 3.41Å; V219-L222 PolarHBondContact O-N 2.83Å; L222-Q226 HydrophobicContact CB-CB 4.05Å; L222-Q226 HydrophobicContact CD2-CB 4.1Å; L222-L227 HydrophobicContact CB-CB 4.37Å; L222-L227 HydrophobicContact CD1-CD1 3.96Å; L222-K230 HydrophobicContact CD1-CD 3.56Å
223S94.6Very high89.2Confident0 Ų061 Ų610%031%0.306CS..BIsolated β-bridgetrans-76.2167.3165.465.80000111.1N177 V178 E187 N225 Q226 L227N177-S223 VanDerWaalsContact ND2-CB 3.27Å; N177-S223 WeakPolarHBondContact ND2-CB 3.27Å; N177-S223 PolarHBondContact ND2-OG 3.31Å; V178-S223 CarbonylContact O-C 3.44Å; V178-S223 WeakPolarHBondContact O-CA 3.24Å; E187-S223 PolarHBondContact OE2-OG 3.12Å; S223-N225 VanDerWaalsContact C-N 3.31Å; S223-N225 PolarHBondContact O-N 2.86Å; S223-Q226 PolarHBondContact O-N 3.09Å; S223-Q226 WeakPolarHBondContact OG-CG 3.23Å; S223-Q226 PolarHBondContact OG-OE1 3.46Å; S223-L227 WeakPolarHBondContact O-CB 3.41Å; S223-L227 PolarHBondContact O-N 2.98Å
224Y93.9Very high88.3Confident92 Ų9258.1 Ų58.136%0.36129%0.287SS..Hα-helixtrans-53.3-49.1176.7169.1-93.5000111.6N177 V178 F180 W206 Q226 L227 V228 F265N177-Y224 WeakPolarHBondContact OD1-CB 3.25Å; N177-Y224 PolarHBondContact OD1-N 3.35Å; N177-Y224 VanDerWaalsContact OD1-N 3.08Å; V178-Y224 PolarHBondContact O-N 2.83Å; F180-Y224 HydrophobicContact CZ-CD2 4.2Å; W206-Y224 AromaticContact CH2-CD2 3.61Å; W206-Y224 HydrophobicContact CH2-CD2 3.61Å; W206-Y224 AromaticContact CH2-CE2 3.72Å; W206-Y224 HydrophobicContact CH2-CE2 3.72Å; W206-Y224 AromaticContact CZ3-CD2 3.72Å; W206-Y224 HydrophobicContact CZ3-CD2 3.72Å; W206-Y224 HydrophobicContact CZ3-CE2 4.12Å; Y224-Q226 PolarHBondContact O-N 2.99Å; Y224-L227 PolarHBondContact O-N 3.28Å; Y224-V228 HydrophobicContact CD1-CG2 4.44Å; Y224-V228 HydrophobicContact CD2-CG2 4.32Å; Y224-V228 HydrophobicContact CE1-CG2 4.03Å; Y224-V228 HydrophobicContact CE2-CG2 3.89Å; Y224-V228 WeakPolarHBondContact O-CG2 3.19Å; Y224-V228 PolarHBondContact O-N 3.45Å; Y224-F265 AromaticContact CD2-CE1 3.78Å; Y224-F265 HydrophobicContact CD2-CE1 3.78Å; Y224-F265 AromaticContact CD2-CZ 3.71Å; Y224-F265 HydrophobicContact CD2-CZ 3.71Å; Y224-F265 AromaticContact CE2-CE1 3.92Å; Y224-F265 HydrophobicContact CE2-CE1 3.92Å; Y224-F265 AromaticContact CE2-CZ 3.76Å; Y224-F265 HydrophobicContact CE2-CZ 3.76Å
225N93.4Very high87.3Confident82 Ų8257.6 Ų57.644%0.43929%0.287SS..Hα-helixtrans-59.8-45.4178.6-67.1-14.6000112.3N177 S223 L227 V228 E229N177-N225 PolarHBondContact ND2-ND2 3.43Å; N177-N225 PolarHBondContact OD1-N 2.87Å; N177-N225 VanDerWaalsContact OD1-N 3.13Å; S223-N225 VanDerWaalsContact C-N 3.31Å; S223-N225 PolarHBondContact O-N 2.86Å; N225-L227 VanDerWaalsContact C-N 3.31Å; N225-L227 PolarHBondContact O-N 3.34Å; N225-V228 PolarHBondContact O-N 3.08Å; N225-E229 WeakPolarHBondContact O-CG 3.26Å; N225-E229 PolarHBondContact O-N 3.43Å
226Q92.8Very high86.3Confident83 Ų8357.5 Ų57.539%0.38829%0.293SS..Hα-helixtrans-64.8-35.7178.4-69.2173.2-21.800112.5L222 S223 Y224 K230L222-Q226 HydrophobicContact CB-CB 4.05Å; L222-Q226 HydrophobicContact CD2-CB 4.1Å; S223-Q226 PolarHBondContact O-N 3.09Å; S223-Q226 WeakPolarHBondContact OG-CG 3.23Å; S223-Q226 PolarHBondContact OG-OE1 3.46Å; Y224-Q226 PolarHBondContact O-N 2.99Å; Q226-K230 WeakPolarHBondContact O-CB 3.43Å; Q226-K230 PolarHBondContact O-N 3.47Å
227L90.9Very high85Confident0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-69.7-40.7177.8-170.864.2000111.2F180 V219 L222 S223 Y224 N225 K230 I231 A261 F264 F265F180-L227 HydrophobicContact CD2-CD2 4.12Å; F180-L227 HydrophobicContact CE2-CB 4.04Å; F180-L227 HydrophobicContact CE2-CD2 3.5Å; F180-L227 VanDerWaalsContact CE2-CD2 3.5Å; F180-L227 HydrophobicContact CE2-CG 4.4Å; F180-L227 HydrophobicContact CZ-CD2 3.94Å; V219-L227 HydrophobicContact CG1-CD2 4.17Å; V219-L227 HydrophobicContact CG2-CD1 4.5Å; V219-L227 HydrophobicContact CG2-CD2 4.06Å; L222-L227 HydrophobicContact CB-CB 4.37Å; L222-L227 HydrophobicContact CD1-CD1 3.96Å; S223-L227 WeakPolarHBondContact O-CB 3.41Å; S223-L227 PolarHBondContact O-N 2.98Å; Y224-L227 PolarHBondContact O-N 3.28Å; N225-L227 VanDerWaalsContact C-N 3.31Å; N225-L227 PolarHBondContact O-N 3.34Å; L227-K230 WeakPolarHBondContact O-CB 3.41Å; L227-K230 PolarHBondContact O-N 3.49Å; L227-I231 HydrophobicContact CG-CD1 4.39Å; L227-I231 WeakPolarHBondContact O-CD1 3.34Å; L227-I231 VanDerWaalsContact O-CG1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.27Å; L227-I231 PolarHBondContact O-N 3.21Å; L227-A261 HydrophobicContact CD1-CB 3.72Å; L227-A261 HydrophobicContact CG-CB 4.26Å; L227-F264 HydrophobicContact CD2-CD1 4.31Å; L227-F265 HydrophobicContact CB-CZ 4.32Å; L227-F265 HydrophobicContact CD2-CE1 3.95Å; L227-F265 HydrophobicContact CD2-CE2 4.14Å; L227-F265 HydrophobicContact CD2-CZ 3.63Å; L227-F265 HydrophobicContact CG-CE2 4.28Å; L227-F265 HydrophobicContact CG-CZ 4.06Å
228V90.1Very high83.6Confident42 Ų4257.6 Ų57.626%0.25530%0.299SS..Hα-helixtrans-63.1-47.3174.2172.30000110.9Y224 N225 K230 I231 I232 F265Y224-V228 HydrophobicContact CD1-CG2 4.44Å; Y224-V228 HydrophobicContact CD2-CG2 4.32Å; Y224-V228 HydrophobicContact CE1-CG2 4.03Å; Y224-V228 HydrophobicContact CE2-CG2 3.89Å; Y224-V228 WeakPolarHBondContact O-CG2 3.19Å; Y224-V228 PolarHBondContact O-N 3.45Å; N225-V228 PolarHBondContact O-N 3.08Å; V228-K230 VanDerWaalsContact C-N 3.29Å; V228-K230 PolarHBondContact O-N 3.04Å; V228-I231 PolarHBondContact O-N 3.4Å; V228-I232 HydrophobicContact CG1-CD1 3.82Å; V228-I232 HydrophobicContact CG1-CG1 4.47Å; V228-I232 WeakPolarHBondContact O-CG1 3.47Å; V228-I232 PolarHBondContact O-N 3.42Å; V228-F265 HydrophobicContact CG2-CE2 3.89Å; V228-F265 HydrophobicContact CG2-CZ 3.97Å
229E88.4Confident82Confident113 Ų11361.9 Ų61.953%0.52833%0.329SS..Hα-helixtrans-57-44.1175.1-75.6176.9-172.900111.8N225 I231 I232 H233N225-E229 WeakPolarHBondContact O-CG 3.26Å; N225-E229 PolarHBondContact O-N 3.43Å; E229-I231 PolarHBondContact O-N 2.65Å; E229-I232 PolarHBondContact O-N 3.06Å; E229-H233 WeakPolarHBondContact O-CB 3.33Å; E229-H233 PolarHBondContact O-CD2 2.81Å; E229-H233 PolarHBondContact O-N 3.41Å
230K85.8Confident80.3Confident55 Ų5566.6 Ų66.624%0.23936%0.357CS..Hα-helixtrans-58.4-46.6176.7179.3176.5173.6-177.10111.9A218 L222 Q226 L227 V228 I232 H233 E234 S257A218-K230 PolarHBondContact O-NZ 3.48Å; L222-K230 HydrophobicContact CD1-CD 3.56Å; Q226-K230 WeakPolarHBondContact O-CB 3.43Å; Q226-K230 PolarHBondContact O-N 3.47Å; L227-K230 WeakPolarHBondContact O-CB 3.41Å; L227-K230 PolarHBondContact O-N 3.49Å; V228-K230 VanDerWaalsContact C-N 3.29Å; V228-K230 PolarHBondContact O-N 3.04Å; K230-I232 PolarHBondContact O-N 3.01Å; K230-H233 PolarHBondContact O-N 3.27Å; K230-E234 VanDerWaalsContact CE-OE1 3.29Å; K230-E234 WeakPolarHBondContact CE-OE1 3.4Å; K230-E234 WeakPolarHBondContact O-CB 3.15Å; K230-E234 VanDerWaalsContact O-CG 3.28Å; K230-E234 WeakPolarHBondContact O-CG 3.47Å; K230-E234 PolarHBondContact O-N 2.8Å; K230-S257 VanDerWaalsContact CE-OG 3.22Å; K230-S257 WeakPolarHBondContact CE-OG 3.49Å; K230-S257 PolarHBondContact NZ-OG 3.47Å
231I84.2Confident78.5Confident15 Ų1575.4 Ų75.48%0.07739%0.391CS..Hα-helixtrans-60.4-45.7177-69.6162.2000110.7L227 V228 E229 H233 E234 D235 A261 L262 F265L227-I231 HydrophobicContact CG-CD1 4.39Å; L227-I231 WeakPolarHBondContact O-CD1 3.34Å; L227-I231 VanDerWaalsContact O-CG1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.27Å; L227-I231 PolarHBondContact O-N 3.21Å; V228-I231 PolarHBondContact O-N 3.4Å; E229-I231 PolarHBondContact O-N 2.65Å; I231-H233 PolarHBondContact O-N 2.96Å; I231-E234 PolarHBondContact O-N 3.32Å; I231-D235 PolarHBondContact O-N 3.32Å; I231-A261 HydrophobicContact CD1-CB 3.86Å; I231-A261 HydrophobicContact CG1-CB 3.77Å; I231-L262 HydrophobicContact CD1-CD2 4.24Å; I231-L262 HydrophobicContact CD1-CG 4.38Å; I231-L262 HydrophobicContact CG1-CG 4.41Å; I231-L262 HydrophobicContact CG2-CD1 4.26Å; I231-L262 HydrophobicContact CG2-CD2 3.61Å; I231-L262 HydrophobicContact CG2-CG 3.85Å; I231-F265 HydrophobicContact CD1-CD2 3.61Å; I231-F265 HydrophobicContact CD1-CE2 3.43Å; I231-F265 VanDerWaalsContact CD1-CE2 3.43Å
232I82.6Confident76.4Confident101 Ų10173.2 Ų73.252%0.51839%0.39SS..Hα-helixtrans-63.4-43.8179.7-66.5167.5000111.2V228 E229 K230 E234 D235 A236V228-I232 HydrophobicContact CG1-CD1 3.82Å; V228-I232 HydrophobicContact CG1-CG1 4.47Å; V228-I232 WeakPolarHBondContact O-CG1 3.47Å; V228-I232 PolarHBondContact O-N 3.42Å; E229-I232 PolarHBondContact O-N 3.06Å; K230-I232 PolarHBondContact O-N 3.01Å; I232-E234 VanDerWaalsContact C-N 3.32Å; I232-E234 PolarHBondContact O-N 3.23Å; I232-D235 PolarHBondContact O-N 2.85Å; I232-A236 WeakPolarHBondContact O-CB 3.45Å; I232-A236 PolarHBondContact O-N 2.87Å
233H77.6Confident74.1Confident136 Ų13676.4 Ų76.463%0.6342%0.416SS*.Hα-helixtrans-63.2-39.4177.2-82.9-65.6000112.1E229 K230 I231 A236 S237E229-H233 WeakPolarHBondContact O-CB 3.33Å; E229-H233 PolarHBondContact O-CD2 2.81Å; E229-H233 PolarHBondContact O-N 3.41Å; K230-H233 PolarHBondContact O-N 3.27Å; I231-H233 PolarHBondContact O-N 2.96Å; H233-A236 PolarHBondContact O-N 2.84Å; H233-S237 WeakPolarHBondContact O-CB 3.4Å; H233-S237 PolarHBondContact O-N 3.3Å
234E72Confident72.1Confident19 Ų1986.6 Ų86.69%0.08946%0.456CS..Hα-helixtrans-68.5-35.2177.2-72.7169.6165.100111.4K230 I231 I232 S237 G258K230-E234 VanDerWaalsContact CE-OE1 3.29Å; K230-E234 WeakPolarHBondContact CE-OE1 3.4Å; K230-E234 WeakPolarHBondContact O-CB 3.15Å; K230-E234 VanDerWaalsContact O-CG 3.28Å; K230-E234 WeakPolarHBondContact O-CG 3.47Å; K230-E234 PolarHBondContact O-N 2.8Å; I231-E234 PolarHBondContact O-N 3.32Å; I232-E234 VanDerWaalsContact C-N 3.32Å; I232-E234 PolarHBondContact O-N 3.23Å; E234-S237 PolarHBondContact O-OG 3.04Å; E234-G258 WeakPolarHBondContact OE2-CA 3.48Å; E234-G258 PolarHBondContact OE2-N 2.87Å
235D69.4Low70.2Confident68 Ų6888.3 Ų88.336%0.36448%0.478SS..Hα-helixtrans-70.5-43.4171.7-84.3-17.4000113.1I231 I232 S237 K238I231-D235 PolarHBondContact O-N 3.32Å; I232-D235 PolarHBondContact O-N 2.85Å; D235-S237 VanDerWaalsContact C-N 3.27Å; D235-S237 PolarHBondContact O-N 3.3Å; D235-K238 WeakPolarHBondContact O-CB 3.45Å; D235-K238 VanDerWaalsContact O-CG 3.29Å; D235-K238 WeakPolarHBondContact O-CG 3.49Å; D235-K238 PolarHBondContact O-N 3.49Å; D235-K238 VanDerWaalsContact O-N 3.08Å; D235-K238 WeakPolarHBondContact OD1-CE 3.32Å; D235-K238 IonicContact OD1-NZ 3.09Å; D235-K238 PolarHBondContact OD1-NZ 3.17Å
236A67Low68.4Low43 Ų4387.6 Ų87.636%0.35548%0.478SS..Hα-helixtrans-65.2-31.4179.300000112.4I232 H233 K238 S239 T240I232-A236 WeakPolarHBondContact O-CB 3.45Å; I232-A236 PolarHBondContact O-N 2.87Å; H233-A236 PolarHBondContact O-N 2.84Å; A236-K238 PolarHBondContact O-N 2.97Å; A236-K238 VanDerWaalsContact O-N 3.11Å; A236-S239 PolarHBondContact O-N 2.82Å; A236-S239 PolarHBondContact O-OG 3.3Å; A236-T240 PolarHBondContact O-N 2.98Å
237S63.3Low66.9Low61 Ų6187.2 Ų87.243%0.42748%0.484SS..THydrogen-bonded Turntrans-60.9-18174.578.80000113.4H233 E234 D235 S239H233-S237 WeakPolarHBondContact O-CB 3.4Å; H233-S237 PolarHBondContact O-N 3.3Å; E234-S237 PolarHBondContact O-OG 3.04Å; D235-S237 VanDerWaalsContact C-N 3.27Å; D235-S237 PolarHBondContact O-N 3.3Å; S237-S239 VanDerWaalsContact C-N 3.3Å; S237-S239 PolarHBondContact O-N 3.04Å
238K60.1Low65.5Low134 Ų13495.1 Ų95.158%0.58352%0.519SS*.THydrogen-bonded Turntrans-68.9-27.3172.2-59.5170.5178.3167.20112.6D235 A236D235-K238 WeakPolarHBondContact O-CB 3.45Å; D235-K238 VanDerWaalsContact O-CG 3.29Å; D235-K238 WeakPolarHBondContact O-CG 3.49Å; D235-K238 PolarHBondContact O-N 3.49Å; D235-K238 VanDerWaalsContact O-N 3.08Å; D235-K238 WeakPolarHBondContact OD1-CE 3.32Å; D235-K238 IonicContact OD1-NZ 3.09Å; D235-K238 PolarHBondContact OD1-NZ 3.17Å; A236-K238 PolarHBondContact O-N 2.97Å; A236-K238 VanDerWaalsContact O-N 3.11Å
239S55.1Low64.2Low94 Ų9498.3 Ų98.366%0.65753%0.534SS*.THydrogen-bonded Turntrans-104.7-17.2-169.840.30000115.3A236 S237A236-S239 PolarHBondContact O-N 2.82Å; A236-S239 PolarHBondContact O-OG 3.3Å; S237-S239 VanDerWaalsContact C-N 3.3Å; S237-S239 PolarHBondContact O-N 3.04Å
240T54.7Low63Low98 Ų9895.5 Ų95.560%0.60153%0.526SS*.  trans-114.6100.2-172-46.60000111.5A236 G242A236-T240 PolarHBondContact O-N 2.98Å; T240-G242 PolarHBondContact O-N 3.14Å
241Q50.1Low62Low213 Ų21396.6 Ų96.6100%0.99553%0.534SS*.  trans-68.919.6170.7-74.8-174.3-1.900114.2
242G45.6Very low61Low43 Ų43101.1 Ų101.144%0.44355%0.554SS.*  trans-118.9119.7-165.600000113.3T240T240-G242 PolarHBondContact O-N 3.14Å
243S44.9Very low60.3Low112 Ų112103 Ų10378%0.78356%0.555SS**SBendtrans87.8111.2172.274.30000116.5
244Y52.1Low59.9Low215 Ų21598.7 Ų98.784%0.84354%0.54SS*.  trans41.9110.9178.2-62.2-81.3000116.9P246Y244-P246 WeakPolarHBondContact O-CD 3.36Å; Y244-P246 VanDerWaalsContact O-N 3.09Å
245P53.9Low60Low127 Ų127102.9 Ų102.983%0.82556%0.559SS**PPolyproline II helixtrans-64.6117.2177.527.4-32000109.3
246P56.9Low60.5Low68 Ų68103.2 Ų103.244%0.44256%0.555SS.*PPolyproline II helixtrans-57.3148.5164.824.9-31.7000108Y244 F248 L251Y244-P246 WeakPolarHBondContact O-CD 3.36Å; Y244-P246 VanDerWaalsContact O-N 3.09Å; P246-F248 PolarHBondContact O-N 2.92Å; P246-L251 HydrophobicContact CG-CB 4.23Å; P246-L251 HydrophobicContact CG-CD1 4.16Å
247S61Low61.2Low74 Ų74102.2 Ų102.252%0.51755%0.545SS..PPolyproline II helixtrans-54.3146.3174.468.20000109.3I249 S250 L251S247-I249 PolarHBondContact O-N 3.17Å; S247-S250 WeakPolarHBondContact O-CA 3.47Å; S247-S250 WeakPolarHBondContact O-CB 3.38Å; S247-S250 PolarHBondContact O-N 3.42Å; S247-S250 WeakPolarHBondContact OG-CB 3.31Å; S247-S250 PolarHBondContact OG-N 3.49Å; S247-L251 PolarHBondContact O-N 2.86Å
248F60.9Low62.2Low167 Ų16799.6 Ų99.673%0.73253%0.528SS*.Hα-helixtrans-50-37.4178.2177.2-96.2000111.8P246 L251 F252P246-F248 PolarHBondContact O-N 2.92Å; F248-L251 PolarHBondContact O-N 3.24Å; F248-F252 VanDerWaalsContact O-CB 3.25Å; F248-F252 WeakPolarHBondContact O-CB 3.37Å; F248-F252 PolarHBondContact O-N 3.3Å
249I63Low63.4Low109 Ų10998 Ų9856%0.55953%0.525SS*.Hα-helixtrans-60.8-50.8175.1-62.5175.4000110.9S247 L251 F252 Y253S247-I249 PolarHBondContact O-N 3.17Å; I249-L251 PolarHBondContact O-N 3.46Å; I249-F252 PolarHBondContact O-N 2.78Å; I249-Y253 HydrophobicContact CG2-CD2 3.56Å; I249-Y253 HydrophobicContact CG2-CE2 3.46Å; I249-Y253 VanDerWaalsContact CG2-CE2 3.46Å; I249-Y253 WeakPolarHBondContact O-CD2 3.36Å; I249-Y253 PolarHBondContact O-N 2.94Å
250S61.8Low65Low53 Ų5395.7 Ų95.737%0.37150%0.502SS..Hα-helixtrans-60.5-44.3178.7-176.10000112S247 Y253 S254S247-S250 WeakPolarHBondContact O-CA 3.47Å; S247-S250 WeakPolarHBondContact O-CB 3.38Å; S247-S250 PolarHBondContact O-N 3.42Å; S247-S250 WeakPolarHBondContact OG-CB 3.31Å; S247-S250 PolarHBondContact OG-N 3.49Å; S250-Y253 PolarHBondContact O-N 3.26Å; S250-S254 WeakPolarHBondContact O-CB 3.23Å; S250-S254 PolarHBondContact O-N 2.86Å; S250-S254 PolarHBondContact O-OG 2.86Å
251L65.1Low66.6Low79 Ų7991 Ų9141%0.41447%0.473SS..Hα-helixtrans-65.6-41.3179.4-170.865.4000111.3P246 S247 F248 I249 S254 F255P246-L251 HydrophobicContact CG-CB 4.23Å; P246-L251 HydrophobicContact CG-CD1 4.16Å; S247-L251 PolarHBondContact O-N 2.86Å; F248-L251 PolarHBondContact O-N 3.24Å; I249-L251 PolarHBondContact O-N 3.46Å; L251-S254 PolarHBondContact O-N 2.93Å; L251-F255 VanDerWaalsContact O-CB 3.28Å; L251-F255 WeakPolarHBondContact O-CB 3.48Å; L251-F255 PolarHBondContact O-N 3.39Å
252F63.9Low68.3Low109 Ų10983.7 Ų83.748%0.47844%0.441SS..Hα-helixtrans-62.2-44.7176.2-178.2-95000112F248 I249 R256F248-F252 VanDerWaalsContact O-CB 3.25Å; F248-F252 WeakPolarHBondContact O-CB 3.37Å; F248-F252 PolarHBondContact O-N 3.3Å; I249-F252 PolarHBondContact O-N 2.78Å; F252-R256 WeakPolarHBondContact O-CB 3.36Å; F252-R256 PolarHBondContact O-N 3.03Å
253Y68.7Low70.3Confident141 Ų14183.2 Ų83.255%0.55343%0.433SS*.Hα-helixtrans-64.7-45.3176.7-84.5-69.1000112.5I249 S250 R256 S257I249-Y253 HydrophobicContact CG2-CD2 3.56Å; I249-Y253 HydrophobicContact CG2-CE2 3.46Å; I249-Y253 VanDerWaalsContact CG2-CE2 3.46Å; I249-Y253 WeakPolarHBondContact O-CD2 3.36Å; I249-Y253 PolarHBondContact O-N 2.94Å; S250-Y253 PolarHBondContact O-N 3.26Å; Y253-R256 PolarHBondContact O-N 3.17Å; Y253-S257 VanDerWaalsContact O-CB 3.28Å; Y253-S257 WeakPolarHBondContact O-CB 3.36Å; Y253-S257 PolarHBondContact O-N 3.39Å
254S69.4Low72.4Confident45 Ų4578.2 Ų78.232%0.31540%0.397SS..Hα-helixtrans-60.8-50176.3-67.80000111.1S250 L251 R256 S257 G258S250-S254 WeakPolarHBondContact O-CB 3.23Å; S250-S254 PolarHBondContact O-N 2.86Å; S250-S254 PolarHBondContact O-OG 2.86Å; L251-S254 PolarHBondContact O-N 2.93Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 3.48Å; S254-S257 WeakPolarHBondContact O-CB 3.35Å; S254-S257 PolarHBondContact O-N 3.42Å; S254-S257 VanDerWaalsContact O-N 3.12Å; S254-G258 PolarHBondContact O-N 3.26Å
255F74.1Confident74.2Confident108 Ų10869.7 Ų69.747%0.47436%0.364SS..Hα-helixtrans-57-45.1177.4179.4-99.8000112.3L251 G258 L259L251-F255 VanDerWaalsContact O-CB 3.28Å; L251-F255 WeakPolarHBondContact O-CB 3.48Å; L251-F255 PolarHBondContact O-N 3.39Å; F255-G258 PolarHBondContact O-N 2.82Å; F255-L259 PolarHBondContact O-N 2.95Å; F255-L259 VanDerWaalsContact O-N 3.11Å
256R79.4Confident75.7Confident75 Ų7569.5 Ų69.528%0.28336%0.356SS..Hα-helixtrans-67.4-38179-167.3166.985.6108-4111.6E214 F252 Y253 S254 L259 Y260E214-R256 IonicContact OE1-CZ 3.84Å; E214-R256 IonicContact OE1-NH1 3.32Å; E214-R256 PolarHBondContact OE1-NH1 3.24Å; E214-R256 IonicContact OE1-NH2 2.64Å; E214-R256 IonicContact OE2-NH1 2.71Å; F252-R256 WeakPolarHBondContact O-CB 3.36Å; F252-R256 PolarHBondContact O-N 3.03Å; Y253-R256 PolarHBondContact O-N 3.17Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 3.48Å; R256-L259 PolarHBondContact O-N 2.82Å; R256-Y260 HydrophobicContact CG-CD2 4.02Å; R256-Y260 HydrophobicContact CG-CE2 3.4Å; R256-Y260 VanDerWaalsContact CG-CE2 3.4Å; R256-Y260 PolarHBondContact NH1-OH 3.21Å; R256-Y260 WeakPolarHBondContact O-CD2 3.31Å; R256-Y260 PolarHBondContact O-N 2.9Å; R256-Y260 VanDerWaalsContact O-N 3.15Å
257S82.2Confident77.2Confident22 Ų2270.4 Ų70.415%0.15436%0.364CS..Hα-helixtrans-62.6-42.4174.6-169.80000112A218 K230 Y253 S254 Y260 A261A218-S257 WeakPolarHBondContact CA-OG 3.38Å; A218-S257 WeakPolarHBondContact CB-O 3.4Å; A218-S257 WeakPolarHBondContact CB-OG 3.29Å; K230-S257 VanDerWaalsContact CE-OG 3.22Å; K230-S257 WeakPolarHBondContact CE-OG 3.49Å; K230-S257 PolarHBondContact NZ-OG 3.47Å; Y253-S257 VanDerWaalsContact O-CB 3.28Å; Y253-S257 WeakPolarHBondContact O-CB 3.36Å; Y253-S257 PolarHBondContact O-N 3.39Å; S254-S257 WeakPolarHBondContact O-CB 3.35Å; S254-S257 PolarHBondContact O-N 3.42Å; S254-S257 VanDerWaalsContact O-N 3.12Å; S257-Y260 PolarHBondContact O-N 3.46Å; S257-A261 WeakPolarHBondContact O-CB 3.48Å; S257-A261 PolarHBondContact O-N 3.44Å
258G82.5Confident78.4Confident6 Ų666.9 Ų66.96%0.06234%0.339CS..Hα-helixtrans-64.9-40.2177.800000113.1E234 S254 F255 Y260 A261 L262E234-G258 WeakPolarHBondContact OE2-CA 3.48Å; E234-G258 PolarHBondContact OE2-N 2.87Å; S254-G258 PolarHBondContact O-N 3.26Å; F255-G258 PolarHBondContact O-N 2.82Å; G258-Y260 VanDerWaalsContact C-N 3.35Å; G258-Y260 PolarHBondContact O-N 3.25Å; G258-A261 PolarHBondContact O-N 3.17Å; G258-L262 WeakPolarHBondContact O-CB 3.42Å; G258-L262 WeakPolarHBondContact O-CG 3.41Å; G258-L262 PolarHBondContact O-N 3.27Å
259L85.9Confident79.6Confident99 Ų9964 Ų6452%0.51834%0.336SS..Hα-helixtrans-61.5-42.5175.4-173.164.7000112.1F255 R256 A263F255-L259 PolarHBondContact O-N 2.95Å; F255-L259 VanDerWaalsContact O-N 3.11Å; R256-L259 PolarHBondContact O-N 2.82Å; L259-A263 WeakPolarHBondContact O-CB 3.41Å; L259-A263 PolarHBondContact O-N 2.87Å
260Y89.3Confident80.7Confident46 Ų4660.4 Ų60.418%0.1832%0.32CS..Hα-helixtrans-70.2-33.5176-70.3-56.3000113.1E214 M215 R256 S257 G258 A263 F264E214-Y260 HydrophobicContact CB-CD1 4.23Å; E214-Y260 HydrophobicContact CB-CD2 4.06Å; E214-Y260 HydrophobicContact CB-CE1 3.91Å; E214-Y260 HydrophobicContact CB-CE2 3.71Å; E214-Y260 HydrophobicContact CB-CG 4.34Å; E214-Y260 HydrophobicContact CG-CE2 4.43Å; E214-Y260 PolarHBondContact OE1-OH 3.37Å; E214-Y260 WeakPolarHBondContact OE2-CE1 3.38Å; E214-Y260 PolarHBondContact OE2-OH 2.98Å; M215-Y260 HydrophobicContact CG-CD1 4.08Å; R256-Y260 HydrophobicContact CG-CD2 4.02Å; R256-Y260 HydrophobicContact CG-CE2 3.4Å; R256-Y260 VanDerWaalsContact CG-CE2 3.4Å; R256-Y260 PolarHBondContact NH1-OH 3.21Å; R256-Y260 WeakPolarHBondContact O-CD2 3.31Å; R256-Y260 PolarHBondContact O-N 2.9Å; R256-Y260 VanDerWaalsContact O-N 3.15Å; S257-Y260 PolarHBondContact O-N 3.46Å; G258-Y260 VanDerWaalsContact C-N 3.35Å; G258-Y260 PolarHBondContact O-N 3.25Å; Y260-A263 PolarHBondContact O-N 3.02Å; Y260-F264 WeakPolarHBondContact O-CB 3.47Å; Y260-F264 PolarHBondContact O-N 2.98Å
261A86.9Confident82.2Confident0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-66.2-42.4174.500000111.6L227 I231 S257 G258 F264 F265L227-A261 HydrophobicContact CD1-CB 3.72Å; L227-A261 HydrophobicContact CG-CB 4.26Å; I231-A261 HydrophobicContact CD1-CB 3.86Å; I231-A261 HydrophobicContact CG1-CB 3.77Å; S257-A261 WeakPolarHBondContact O-CB 3.48Å; S257-A261 PolarHBondContact O-N 3.44Å; G258-A261 PolarHBondContact O-N 3.17Å; A261-F264 WeakPolarHBondContact O-CB 3.45Å; A261-F264 PolarHBondContact O-N 2.94Å; A261-F265 PolarHBondContact O-N 2.86Å; A261-F265 VanDerWaalsContact O-N 3.15Å
262L86.4Confident83.6Confident59 Ų5955.3 Ų55.331%0.30929%0.288SS..Hα-helixtrans-62.2-47.8171.8-76.6170.5000111.7I231 G258 F264 F265 D266I231-L262 HydrophobicContact CD1-CD2 4.24Å; I231-L262 HydrophobicContact CD1-CG 4.38Å; I231-L262 HydrophobicContact CG1-CG 4.41Å; I231-L262 HydrophobicContact CG2-CD1 4.26Å; I231-L262 HydrophobicContact CG2-CD2 3.61Å; I231-L262 HydrophobicContact CG2-CG 3.85Å; G258-L262 WeakPolarHBondContact O-CB 3.42Å; G258-L262 WeakPolarHBondContact O-CG 3.41Å; G258-L262 PolarHBondContact O-N 3.27Å; L262-F264 PolarHBondContact O-N 3.38Å; L262-F265 PolarHBondContact O-N 3.5Å; L262-D266 PolarHBondContact O-N 3.44Å
263A88.5Confident85Confident33 Ų3351 Ų5127%0.27327%0.271SS..Hα-helixtrans-59.6-35177.100000112.2M215 L259 Y260 S267M215-A263 HydrophobicContact CE-CB 4.19Å; L259-A263 WeakPolarHBondContact O-CB 3.41Å; L259-A263 PolarHBondContact O-N 2.87Å; Y260-A263 PolarHBondContact O-N 3.02Å; A263-S267 VanDerWaalsContact O-CB 3.28Å; A263-S267 WeakPolarHBondContact O-CB 3.39Å; A263-S267 PolarHBondContact O-N 3.36Å; A263-S267 PolarHBondContact O-OG 3.14Å
264F89.5Confident86.1Confident8 Ų853.5 Ų53.54%0.03528%0.279CS..Hα-helixtrans-61.6-49.7172.6173-105.8000110.9F180 W206 V219 L227 Y260 A261 L262 S267 S268 T273F180-F264 HydrophobicContact CB-CZ 4.4Å; F180-F264 AromaticContact CD1-CE1 3.5Å; F180-F264 HydrophobicContact CD1-CE1 3.5Å; F180-F264 VanDerWaalsContact CD1-CE1 3.5Å; F180-F264 AromaticContact CD1-CZ 3.67Å; F180-F264 HydrophobicContact CD1-CZ 3.67Å; F180-F264 AromaticContact CE1-CE1 3.65Å; F180-F264 HydrophobicContact CE1-CE1 3.65Å; F180-F264 HydrophobicContact CE1-CZ 4.22Å; F180-F264 AromaticContact CG-CE1 4Å; F180-F264 HydrophobicContact CG-CE1 4Å; F180-F264 HydrophobicContact CG-CZ 4.19Å; F180-F264 HydrophobicContact CZ-CE1 4.26Å; W206-F264 AromaticContact CD1-CZ 3.51Å; W206-F264 AromaticContact NE1-CE1 3.48Å; W206-F264 AromaticContact NE1-CZ 3.41Å; V219-F264 HydrophobicContact CG2-CB 4.13Å; V219-F264 HydrophobicContact CG2-CD1 3.91Å; V219-F264 HydrophobicContact CG2-CE1 4.47Å; V219-F264 HydrophobicContact CG2-CG 3.93Å; L227-F264 HydrophobicContact CD2-CD1 4.31Å; Y260-F264 WeakPolarHBondContact O-CB 3.47Å; Y260-F264 PolarHBondContact O-N 2.98Å; A261-F264 WeakPolarHBondContact O-CB 3.45Å; A261-F264 PolarHBondContact O-N 2.94Å; L262-F264 PolarHBondContact O-N 3.38Å; F264-S267 PolarHBondContact O-N 3.13Å; F264-S267 PolarHBondContact O-OG 3.04Å; F264-S268 WeakPolarHBondContact O-CB 3.48Å; F264-S268 PolarHBondContact O-N 3.23Å; F264-S268 PolarHBondContact O-OG 2.71Å; F264-T273 HydrophobicContact CE2-CG2 4.14Å
265F88.1Confident87.3Confident35 Ų3555.8 Ų55.815%0.15428%0.282CS..Hα-helixtrans-60.9-44.8176.6-73.8-32.6000113.2F180 W206 Y224 L227 V228 I231 A261 L262 S267 S268 V269F180-F265 HydrophobicContact CE1-CE1 4.37Å; F180-F265 AromaticContact CZ-CE1 3.95Å; F180-F265 HydrophobicContact CZ-CE1 3.95Å; F180-F265 HydrophobicContact CZ-CZ 4.38Å; W206-F265 HydrophobicContact CH2-CD1 4.1Å; W206-F265 AromaticContact CH2-CE1 3.82Å; W206-F265 HydrophobicContact CH2-CE1 3.82Å; W206-F265 AromaticContact CZ2-CD1 3.54Å; W206-F265 HydrophobicContact CZ2-CD1 3.54Å; W206-F265 AromaticContact CZ2-CE1 3.61Å; W206-F265 HydrophobicContact CZ2-CE1 3.61Å; Y224-F265 AromaticContact CD2-CE1 3.78Å; Y224-F265 HydrophobicContact CD2-CE1 3.78Å; Y224-F265 AromaticContact CD2-CZ 3.71Å; Y224-F265 HydrophobicContact CD2-CZ 3.71Å; Y224-F265 AromaticContact CE2-CE1 3.92Å; Y224-F265 HydrophobicContact CE2-CE1 3.92Å; Y224-F265 AromaticContact CE2-CZ 3.76Å; Y224-F265 HydrophobicContact CE2-CZ 3.76Å; L227-F265 HydrophobicContact CB-CZ 4.32Å; L227-F265 HydrophobicContact CD2-CE1 3.95Å; L227-F265 HydrophobicContact CD2-CE2 4.14Å; L227-F265 HydrophobicContact CD2-CZ 3.63Å; L227-F265 HydrophobicContact CG-CE2 4.28Å; L227-F265 HydrophobicContact CG-CZ 4.06Å; V228-F265 HydrophobicContact CG2-CE2 3.89Å; V228-F265 HydrophobicContact CG2-CZ 3.97Å; I231-F265 HydrophobicContact CD1-CD2 3.61Å; I231-F265 HydrophobicContact CD1-CE2 3.43Å; I231-F265 VanDerWaalsContact CD1-CE2 3.43Å; A261-F265 PolarHBondContact O-N 2.86Å; A261-F265 VanDerWaalsContact O-N 3.15Å; L262-F265 PolarHBondContact O-N 3.5Å; F265-S267 PolarHBondContact O-N 2.99Å; F265-S268 CarbonylContact O-C 3.44Å; F265-S268 PolarHBondContact O-N 3.21Å; F265-V269 PolarHBondContact O-N 3.32Å; F265-V269 VanDerWaalsContact O-N 3.16Å
266D87.1Confident88.3Confident124 Ų12450.6 Ų50.666%0.66326%0.259SS*.Hα-helixtrans-61.7-34.1176.5-70.2-21.3000112.3L262 S268 V269L262-D266 PolarHBondContact O-N 3.44Å; D266-S268 VanDerWaalsContact C-N 3.35Å; D266-V269 WeakPolarHBondContact O-CG2 3.09Å
267S86.5Confident89Confident86 Ų8648 Ų4860%0.60125%0.251SS*.Hα-helixtrans-80.4-15176.9740000113.9A263 F264 F265A263-S267 VanDerWaalsContact O-CB 3.28Å; A263-S267 WeakPolarHBondContact O-CB 3.39Å; A263-S267 PolarHBondContact O-N 3.36Å; A263-S267 PolarHBondContact O-OG 3.14Å; F264-S267 PolarHBondContact O-N 3.13Å; F264-S267 PolarHBondContact O-OG 3.04Å; F265-S267 PolarHBondContact O-N 2.99Å
268S86.3Confident89.6Confident0 Ų049.3 Ų49.30%026%0.262CS..  trans-129.132.1-170.263.50000113.3W206 F264 F265 D266 S270 Q271W206-S268 VanDerWaalsContact NE1-CB 3.29Å; W206-S268 PolarHBondContact NE1-OG 2.82Å; F264-S268 WeakPolarHBondContact O-CB 3.48Å; F264-S268 PolarHBondContact O-N 3.23Å; F264-S268 PolarHBondContact O-OG 2.71Å; F265-S268 CarbonylContact O-C 3.44Å; F265-S268 PolarHBondContact O-N 3.21Å; D266-S268 VanDerWaalsContact C-N 3.35Å; S268-S270 PolarHBondContact O-N 3.08Å; S268-S270 VanDerWaalsContact O-N 3.07Å; S268-Q271 WeakPolarHBondContact O-CA 3.43Å; S268-Q271 PolarHBondContact O-N 3.41Å
269V86Confident90.2Very high108 Ų10850.4 Ų50.466%0.65527%0.269SS*.THydrogen-bonded Turntrans-52.5-32.5179.8-178.10000112.8F265 D266 Q271F265-V269 PolarHBondContact O-N 3.32Å; F265-V269 VanDerWaalsContact O-N 3.16Å; D266-V269 WeakPolarHBondContact O-CG2 3.09Å; V269-Q271 PolarHBondContact O-N 3.06Å
270S88.1Confident90.6Very high33 Ų3345.7 Ų45.723%0.23125%0.245CC..THydrogen-bonded Turntrans-783.6178.265.20000114.8S268 L272 R294 I331S268-S270 PolarHBondContact O-N 3.08Å; S268-S270 VanDerWaalsContact O-N 3.07Å; S270-L272 PolarHBondContact O-N 3.13Å; S270-L272 VanDerWaalsContact O-N 3.17Å; S270-L272 PolarHBondContact OG-O 3.17Å; S270-R294 WeakPolarHBondContact O-CG 3.37Å; S270-I331 WeakPolarHBondContact OG-CG2 3.14Å
271Q92.3Very high90.9Very high22 Ų2249.3 Ų49.310%0.10326%0.258CS..SBendtrans54.527.5-174.4-54.7-178.9-4.600113.5W206 S268 V269 N296W206-Q271 WeakPolarHBondContact CB-O 3.21Å; W206-Q271 HydrophobicContact CD2-CB 3.98Å; W206-Q271 HydrophobicContact CD2-CG 4.21Å; W206-Q271 HydrophobicContact CE3-CB 3.85Å; W206-Q271 HydrophobicContact CE3-CG 3.78Å; W206-Q271 HydrophobicContact CG-CB 4.37Å; W206-Q271 HydrophobicContact CH2-CG 4.01Å; W206-Q271 HydrophobicContact CZ2-CG 4.36Å; W206-Q271 HydrophobicContact CZ3-CB 4.31Å; W206-Q271 HydrophobicContact CZ3-CG 3.72Å; S268-Q271 WeakPolarHBondContact O-CA 3.43Å; S268-Q271 PolarHBondContact O-N 3.41Å; V269-Q271 PolarHBondContact O-N 3.06Å; Q271-N296 PolarHBondContact NE2-OD1 2.96Å; Q271-N296 VanDerWaalsContact NE2-OD1 3.13Å
272L93.7Very high91.2Very high3 Ų355.7 Ų55.72%0.01629%0.292CS..  trans-142127.8178.4-179.763.4000109.3S270 L277 L280 L328 I331S270-L272 PolarHBondContact O-N 3.13Å; S270-L272 VanDerWaalsContact O-N 3.17Å; S270-L272 PolarHBondContact OG-O 3.17Å; L272-L277 HydrophobicContact CD1-CB 4.2Å; L272-L277 HydrophobicContact CD1-CD1 4.49Å; L272-L280 HydrophobicContact CD1-CD1 4.45Å; L272-L328 HydrophobicContact CD2-CD1 3.94Å; L272-I331 HydrophobicContact CB-CG2 4.43Å; L272-I331 HydrophobicContact CD2-CG1 4.45Å; L272-I331 HydrophobicContact CG-CG1 4.28Å; L272-I331 VanDerWaalsContact O-CG2 3.25Å; L272-I331 WeakPolarHBondContact O-CG2 3.23Å
273T93.6Very high91.6Very high19 Ų1954.9 Ų54.912%0.11729%0.294CS..  trans-111.7160.6178.8680000111.3G205 I207 F264 Y275 G276 L277 I331G205-T273 PolarHBondContact O-N 3.39Å; G205-T273 PolarHBondContact O-OG1 3.02Å; I207-T273 PolarHBondContact N-OG1 3.24Å; I207-T273 WeakPolarHBondContact O-CB 3.25Å; I207-T273 WeakPolarHBondContact O-CG2 3.31Å; I207-T273 PolarHBondContact O-OG1 3.38Å; F264-T273 HydrophobicContact CE2-CG2 4.14Å; T273-Y275 VanDerWaalsContact C-N 3.29Å; T273-Y275 PolarHBondContact O-N 3.16Å; T273-G276 PolarHBondContact O-N 3.41Å; T273-G276 VanDerWaalsContact O-N 3.17Å; T273-G276 WeakPolarHBondContact OG1-CA 3.4Å; T273-G276 PolarHBondContact OG1-N 3.14Å; T273-L277 WeakPolarHBondContact O-CB 3.13Å; T273-L277 PolarHBondContact O-N 2.65Å; T273-I331 VanDerWaalsContact C-CD1 3.47Å
274R92.7Very high91.9Very high193 Ų19353.5 Ų53.573%0.72828%0.282SS*.Hα-helixtrans-62.4-43.7179.9-72.1-170.3179.6100.15.4110.2L277 A278 I331R274-L277 PolarHBondContact O-N 3.12Å; R274-A278 PolarHBondContact O-N 3.25Å; R274-A278 VanDerWaalsContact O-N 3.14Å; R274-I331 HydrophobicContact CB-CD1 3.99Å; R274-I331 HydrophobicContact CG-CD1 3.24Å; R274-I331 HydrophobicContact CG-CG1 4.38Å
275Y94.1Very high92.2Very high92 Ų9260.1 Ų60.136%0.36131%0.313SS..Hα-helixtrans-62.4-44.7174.5-174.4-94.6000111.6I207 D209 P210 T273 L277 A278 S279I207-Y275 HydrophobicContact CB-CD1 4.11Å; I207-Y275 HydrophobicContact CG2-CD1 3.67Å; I207-Y275 HydrophobicContact CG2-CE1 3.76Å; D209-Y275 HydrophobicContact CB-CG 4.21Å; P210-Y275 VanDerWaalsContact CD-CE2 3.48Å; P210-Y275 HydrophobicContact CG-CE1 4.13Å; P210-Y275 HydrophobicContact CG-CE2 4.16Å; T273-Y275 VanDerWaalsContact C-N 3.29Å; T273-Y275 PolarHBondContact O-N 3.16Å; Y275-L277 PolarHBondContact O-N 2.91Å; Y275-A278 PolarHBondContact O-N 3.49Å; Y275-S279 WeakPolarHBondContact O-CB 3.34Å; Y275-S279 PolarHBondContact O-N 2.83Å
276G94.7Very high92.5Very high0 Ų063.2 Ų63.20%033%0.328CS..Hα-helixtrans-63.9-38.7178.700000113.8G205 T273 S279 L280G205-G276 WeakPolarHBondContact O-CA 3.3Å; T273-G276 PolarHBondContact O-N 3.41Å; T273-G276 VanDerWaalsContact O-N 3.17Å; T273-G276 WeakPolarHBondContact OG1-CA 3.4Å; T273-G276 PolarHBondContact OG1-N 3.14Å; G276-S279 WeakPolarHBondContact O-CB 3.4Å; G276-S279 PolarHBondContact O-N 3.36Å; G276-L280 WeakPolarHBondContact O-CG 3.38Å; G276-L280 PolarHBondContact O-N 2.82Å
277L94.5Very high92.8Very high21 Ų2158.9 Ų58.911%0.1131%0.313CS..Hα-helixtrans-63.3-45.2174.1-176.561.5000112L272 T273 R274 Y275 S279 L280 R281 L308 L328 D329L272-L277 HydrophobicContact CD1-CB 4.2Å; L272-L277 HydrophobicContact CD1-CD1 4.49Å; T273-L277 WeakPolarHBondContact O-CB 3.13Å; T273-L277 PolarHBondContact O-N 2.65Å; R274-L277 PolarHBondContact O-N 3.12Å; Y275-L277 PolarHBondContact O-N 2.91Å; L277-S279 VanDerWaalsContact C-N 3.33Å; L277-S279 PolarHBondContact O-N 2.97Å; L277-L280 PolarHBondContact O-N 2.88Å; L277-R281 PolarHBondContact O-N 3.36Å; L277-L308 HydrophobicContact CD1-CD1 3.9Å; L277-L328 HydrophobicContact CD1-CD2 4.06Å; L277-L328 HydrophobicContact CD1-CG 3.81Å; L277-D329 VanDerWaalsContact CD2-O 3.29Å; L277-D329 WeakPolarHBondContact CD2-O 3.18Å
278A94.5Very high93.2Very high48 Ų4857.7 Ų57.740%0.39730%0.297SS..Hα-helixtrans-63.6-39.7174.600000111.8R274 Y275 R281 N282R274-A278 PolarHBondContact O-N 3.25Å; R274-A278 VanDerWaalsContact O-N 3.14Å; Y275-A278 PolarHBondContact O-N 3.49Å; A278-R281 PolarHBondContact O-N 3.27Å; A278-N282 PolarHBondContact O-N 3.17Å; A278-N282 PolarHBondContact O-ND2 2.93Å
279S94.6Very high93.7Very high30 Ų3058.2 Ų58.221%0.2130%0.3CS..Hα-helixtrans-62.1-45175.3-171.90000111.7Y275 G276 L277 R281 N282 A283Y275-S279 WeakPolarHBondContact O-CB 3.34Å; Y275-S279 PolarHBondContact O-N 2.83Å; G276-S279 WeakPolarHBondContact O-CB 3.4Å; G276-S279 PolarHBondContact O-N 3.36Å; L277-S279 VanDerWaalsContact C-N 3.33Å; L277-S279 PolarHBondContact O-N 2.97Å; S279-R281 PolarHBondContact O-N 3.11Å; S279-N282 PolarHBondContact O-N 3.44Å; S279-A283 WeakPolarHBondContact O-CB 3.48Å; S279-A283 PolarHBondContact O-N 3.45Å
280L95.6Very high94.3Very high0 Ų053.1 Ų53.10%027%0.269CS..Hα-helixtrans-59.5-45.6175.2-79.7169.1000111.5A183 C203 L272 G276 L277 N282 A283 L284 L292 L308A183-L280 HydrophobicContact CB-CD2 3.81Å; A183-L280 HydrophobicContact CB-CG 4.21Å; C203-L280 HydrophobicContact CB-CD2 3.86Å; L272-L280 HydrophobicContact CD1-CD1 4.45Å; G276-L280 WeakPolarHBondContact O-CG 3.38Å; G276-L280 PolarHBondContact O-N 2.82Å; L277-L280 PolarHBondContact O-N 2.88Å; L280-N282 VanDerWaalsContact C-N 3.26Å; L280-N282 PolarHBondContact O-N 3.11Å; L280-A283 PolarHBondContact O-N 3.22Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 PolarHBondContact O-N 2.7Å; L280-L292 HydrophobicContact CD1-CD1 3.84Å; L280-L292 HydrophobicContact CD2-CD1 4.45Å; L280-L308 HydrophobicContact CB-CD1 3.87Å
281R95Very high94.7Very high121 Ų12151.5 Ų51.546%0.45726%0.258SS..Hα-helixtrans-59.2-37.1177.1-179.9177173.714311112.1L277 A278 S279 K303 G306 L308L277-R281 PolarHBondContact O-N 3.36Å; A278-R281 PolarHBondContact O-N 3.27Å; S279-R281 PolarHBondContact O-N 3.11Å; R281-K303 WeakPolarHBondContact O-CE 3.39Å; R281-K303 PolarHBondContact O-NZ 2.89Å; R281-G306 VanDerWaalsContact CD-O 3.27Å; R281-G306 WeakPolarHBondContact CD-O 3.46Å; R281-G306 VanDerWaalsContact CG-O 3.3Å; R281-G306 WeakPolarHBondContact CG-O 3.22Å; R281-G306 PolarHBondContact NE-O 3.28Å; R281-G306 PolarHBondContact NH2-O 3.26Å; R281-L308 HydrophobicContact CB-CD1 4.27Å; R281-L308 HydrophobicContact CB-CG 4.45Å
282N94.3Very high95Very high134 Ų13450.5 Ų50.572%0.71725%0.254SS*.Hα-helixtrans-80.6-35.2179.4-69.1-23.4000112.9A278 S279 L280A278-N282 PolarHBondContact O-N 3.17Å; A278-N282 PolarHBondContact O-ND2 2.93Å; S279-N282 PolarHBondContact O-N 3.44Å; L280-N282 VanDerWaalsContact C-N 3.26Å; L280-N282 PolarHBondContact O-N 3.11Å
283A94.3Very high95.1Very high42 Ų4251.1 Ų51.135%0.34726%0.256SS..Hα-helixtrans-79.8-34.6-174.400000113.3F184 S279 L280F184-A283 HydrophobicContact CE2-CB 3.63Å; F184-A283 HydrophobicContact CZ-CB 3.69Å; S279-A283 WeakPolarHBondContact O-CB 3.48Å; S279-A283 PolarHBondContact O-N 3.45Å; L280-A283 PolarHBondContact O-N 3.22Å
284L95.3Very high95.1Very high5 Ų552.8 Ų52.83%0.02626%0.26CS..SBendtrans-76.8137.2177.6-71.5169.9000111.6F184 L280 A290 I301 K303 L308F184-L284 HydrophobicContact CE1-CD2 4.42Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 PolarHBondContact O-N 2.7Å; L284-A290 HydrophobicContact CD2-CB 3.88Å; L284-I301 HydrophobicContact CD1-CD1 3.96Å; L284-I301 HydrophobicContact CD1-CG1 4.26Å; L284-I301 HydrophobicContact CD1-CG2 4.21Å; L284-K303 HydrophobicContact CB-CB 4.34Å; L284-K303 HydrophobicContact CB-CD 4.29Å; L284-K303 WeakPolarHBondContact O-CD 3.35Å; L284-K303 PolarHBondContact O-NZ 3.16Å; L284-L308 HydrophobicContact CD1-CD2 3.79Å
285Q95.3Very high95Very high146 Ų14648.5 Ų48.568%0.68225%0.252SS*.PPolyproline II helixtrans-80.9150.4173.9-65.1-179.8-7.200110.8G287 H288Q285-G287 PolarHBondContact O-N 3.35Å; Q285-H288 HydrophobicContact CB-CB 4.11Å; Q285-H288 WeakPolarHBondContact O-CB 3.28Å; Q285-H288 PolarHBondContact O-N 3.48Å
286E94.9Very high94.8Very high100 Ų10049.8 Ų49.847%0.46727%0.265SS..THydrogen-bonded Turntrans-60.4131.3175.3-68.3-68.6165.100110.7H288 K303 R304 N305 G306E286-H288 PolarHBondContact O-N 3.13Å; E286-K303 WeakPolarHBondContact OE1-CE 3.45Å; E286-R304 VanDerWaalsContact OE2-C 3.25Å; E286-R304 WeakPolarHBondContact OE2-CA 3.45Å; E286-R304 PolarHBondContact OE2-N 2.63Å; E286-N305 PolarHBondContact OE2-N 3.47Å; E286-G306 WeakPolarHBondContact OE1-CA 3.16Å; E286-G306 PolarHBondContact OE1-N 2.89Å
287G93Very high94.7Very high33 Ų3351.8 Ų51.834%0.3427%0.274SS..THydrogen-bonded Turntrans75.2-4.7-178.800000115.6Q285 K303Q285-G287 PolarHBondContact O-N 3.35Å; G287-K303 PolarHBondContact N-O 3.3Å
288H95.2Very high94.8Very high61 Ų6151.1 Ų51.128%0.28227%0.27SS..  trans-71.9141.9178.4-17163.1000111.2T201 Q285 E286 T302T201-H288 PolarHBondContact OG1-NE2 3.28Å; Q285-H288 HydrophobicContact CB-CB 4.11Å; Q285-H288 WeakPolarHBondContact O-CB 3.28Å; Q285-H288 PolarHBondContact O-N 3.48Å; E286-H288 PolarHBondContact O-N 3.13Å; H288-T302 WeakPolarHBondContact O-CA 3.34Å; H288-T302 WeakPolarHBondContact O-CB 3.39Å; H288-T302 PolarHBondContact O-OG1 3.14Å
289L96.9Very high94.8Very high12 Ų1249.9 Ų49.96%0.06326%0.259CS..EExtended strand (participates in β ladder)trans-104.5126175-66.5172.4000109.7W89 L113 L116 R117 V300 W325W89-L289 HydrophobicContact CH2-CD2 4.4Å; W89-L289 HydrophobicContact CZ2-CD1 4.36Å; W89-L289 HydrophobicContact CZ2-CD2 4.08Å; L113-L289 HydrophobicContact CD1-CB 4.11Å; L113-L289 HydrophobicContact CG-CB 4.04Å; L116-L289 HydrophobicContact CB-CD1 3.65Å; L116-L289 HydrophobicContact CD1-CD2 4.37Å; R117-L289 HydrophobicContact CG-CD1 3.87Å; R117-L289 PolarHBondContact NH2-O 2.85Å; L289-V300 HydrophobicContact CD2-CG1 4.22Å; L289-W325 HydrophobicContact CD2-CH2 4.18Å
290A97.5Very high95Very high0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-134.6170.7178.700000110.7T201 L284 I301T201-A290 HydrophobicContact CG2-CB 4.5Å; T201-A290 WeakPolarHBondContact O-CA 3.27Å; T201-A290 VanDerWaalsContact O-CB 3.32Å; T201-A290 WeakPolarHBondContact O-CB 3.45Å; L284-A290 HydrophobicContact CD2-CB 3.88Å; A290-I301 HydrophobicContact CB-CG2 3.79Å; A290-I301 PolarHBondContact N-O 3.5Å; A290-I301 PolarHBondContact O-N 3.2Å
291V97.5Very high95.1Very high0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-106.7125171.9176.70000108.6A109 L113 F195 I200 T201 L202 C203 F298 S299A109-V291 HydrophobicContact CB-CG1 4.02Å; A109-V291 HydrophobicContact CB-CG2 4.28Å; L113-V291 HydrophobicContact CD1-CG2 3.88Å; F195-V291 HydrophobicContact CE1-CB 4.25Å; F195-V291 HydrophobicContact CE1-CG1 4.21Å; F195-V291 HydrophobicContact CE1-CG2 4.17Å; I200-V291 HydrophobicContact CG2-CB 4.31Å; I200-V291 HydrophobicContact CG2-CG2 3.58Å; T201-V291 PolarHBondContact O-N 3.29Å; L202-V291 HydrophobicContact CD1-CB 4.14Å; L202-V291 HydrophobicContact CD1-CG1 3.9Å; C203-V291 PolarHBondContact N-O 3.41Å; C203-V291 PolarHBondContact SG-O 3.3Å; V291-F298 HydrophobicContact CG1-CB 4.05Å; V291-F298 HydrophobicContact CG1-CD1 3.75Å; V291-F298 HydrophobicContact CG1-CG 4.4Å; V291-S299 CarbonylContact C-O 3.57Å; V291-S299 WeakPolarHBondContact CA-O 3.29Å
292L97.1Very high95.2Very high1 Ų142.8 Ų42.81%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-96.5126.4173.9178.572.4000109.7C203 L280 R294 F298 S299 I301 L310 L328C203-L292 CarbonylContact O-C 3.42Å; C203-L292 WeakPolarHBondContact O-CA 3.12Å; L280-L292 HydrophobicContact CD1-CD1 3.84Å; L280-L292 HydrophobicContact CD2-CD1 4.45Å; L292-R294 HydrophobicContact CD2-CB 4.22Å; L292-R294 HydrophobicContact CG-CB 4.33Å; L292-F298 WeakPolarHBondContact O-CA 3.27Å; L292-S299 PolarHBondContact N-O 3.07Å; L292-S299 PolarHBondContact O-N 3.11Å; L292-I301 HydrophobicContact CB-CB 4.06Å; L292-I301 HydrophobicContact CB-CD1 4.43Å; L292-I301 HydrophobicContact CB-CG2 3.95Å; L292-I301 HydrophobicContact CD2-CD1 4.3Å; L292-L310 HydrophobicContact CB-CD2 4.43Å; L292-L310 HydrophobicContact CD2-CD1 4.45Å; L292-L310 HydrophobicContact CD2-CD2 3.72Å; L292-L328 HydrophobicContact CD2-CD2 3.8Å
293F95.9Very high95.3Very high16 Ų1637.6 Ų37.67%0.0720%0.199CC..EExtended strand (participates in β ladder)trans-92.8121.6163.6179.4-103.4000110.2V176 V178 F186 C203 H204 H297 F298V176-F293 HydrophobicContact CG2-CD1 3.81Å; V176-F293 HydrophobicContact CG2-CD2 3.52Å; V176-F293 HydrophobicContact CG2-CE1 3.7Å; V176-F293 HydrophobicContact CG2-CE2 3.37Å; V176-F293 HydrophobicContact CG2-CG 3.72Å; V176-F293 HydrophobicContact CG2-CZ 3.47Å; V176-F293 VanDerWaalsContact CG2-CZ 3.47Å; V178-F293 HydrophobicContact CG1-CD1 3.87Å; V178-F293 HydrophobicContact CG1-CE1 4.1Å; F186-F293 HydrophobicContact CE1-CB 4.44Å; C203-F293 PolarHBondContact O-N 3.1Å; H204-F293 HydrophobicContact CB-CB 4.49Å; F293-H297 WeakPolarHBondContact CA-O 3.37Å; F293-F298 HydrophobicContact CB-CD1 4.39Å; F293-F298 HydrophobicContact CB-CE1 4.21Å; F293-F298 HydrophobicContact CD2-CD1 4.2Å; F293-F298 HydrophobicContact CD2-CD2 4.14Å; F293-F298 AromaticContact CD2-CE1 3.78Å; F293-F298 HydrophobicContact CD2-CE1 3.78Å; F293-F298 AromaticContact CD2-CE2 3.7Å; F293-F298 HydrophobicContact CD2-CE2 3.7Å; F293-F298 HydrophobicContact CD2-CG 4.38Å; F293-F298 AromaticContact CD2-CZ 3.51Å; F293-F298 HydrophobicContact CD2-CZ 3.51Å; F293-F298 AromaticContact CE2-CE2 3.94Å; F293-F298 HydrophobicContact CE2-CE2 3.94Å; F293-F298 AromaticContact CE2-CZ 3.98Å; F293-F298 HydrophobicContact CE2-CZ 3.98Å; F293-F298 HydrophobicContact CG-CE1 4.39Å; F293-F298 HydrophobicContact CG-CZ 4.46Å
294R94.4Very high95.3Very high53 Ų5338.7 Ų38.720%0.219%0.194CC..EExtended strand (participates in β ladder)trans-154.2134.4176.5179.3-171.8175.4-169.50.4110S270 L292 N296 H297 L328 I331S270-R294 WeakPolarHBondContact O-CG 3.37Å; L292-R294 HydrophobicContact CD2-CB 4.22Å; L292-R294 HydrophobicContact CG-CB 4.33Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 3.29Å; R294-H297 PolarHBondContact N-O 2.92Å; R294-H297 WeakPolarHBondContact O-CA 3.28Å; R294-H297 VanDerWaalsContact O-CB 3.31Å; R294-H297 WeakPolarHBondContact O-CB 3.48Å; R294-H297 PolarHBondContact O-N 3.16Å; R294-L328 VanDerWaalsContact NH1-CD1 3.3Å; R294-I331 PolarHBondContact NH2-O 3.38Å; R294-I331 VanDerWaalsContact NH2-O 3.12Å
295N90.8Very high95.2Very high104 Ų10445.1 Ų45.156%0.55623%0.228SC*.THydrogen-bonded Turntrans52.347.3176.2-166.839.1000112.8H297N295-H297 PolarHBondContact O-N 2.8Å; N295-H297 VanDerWaalsContact O-N 3.14Å
296N89.8Confident95.1Very high119 Ų11938.7 Ų38.764%0.63620%0.201SC*.THydrogen-bonded Turntrans56.624.8-175.7-54.7-27.7000114.3Q271 R294Q271-N296 PolarHBondContact NE2-OD1 2.96Å; Q271-N296 VanDerWaalsContact NE2-OD1 3.13Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 3.29Å
297H93Very high95Very high42 Ų4236 Ų3619%0.19419%0.194CC..EExtended strand (participates in β ladder)trans-126.7144.8-179.4-171-87.7000110.9Q99 C105 F293 R294 N295 S299Q99-H297 PolarHBondContact NE2-CE1 2.6Å; Q99-H297 PolarHBondContact NE2-NE2 2.92Å; Q99-H297 PolarHBondContact OE1-NE2 2.81Å; C105-H297 WeakPolarHBondContact CB-NE2 3.32Å; F293-H297 WeakPolarHBondContact CA-O 3.37Å; R294-H297 PolarHBondContact N-O 2.92Å; R294-H297 WeakPolarHBondContact O-CA 3.28Å; R294-H297 VanDerWaalsContact O-CB 3.31Å; R294-H297 WeakPolarHBondContact O-CB 3.48Å; R294-H297 PolarHBondContact O-N 3.16Å; N295-H297 PolarHBondContact O-N 2.8Å; N295-H297 VanDerWaalsContact O-N 3.14Å; H297-S299 PolarHBondContact CE1-OG 3.04Å; H297-S299 PolarHBondContact ND1-OG 3.03Å
298F95.3Very high95.2Very high6 Ų634.7 Ų34.73%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-107.5122.9174.9-65.9-97.9000109.9P106 A109 L174 V176 F195 L202 V291 L292 F293P106-F298 HydrophobicContact CB-CD2 3.99Å; P106-F298 HydrophobicContact CB-CE2 4.25Å; P106-F298 HydrophobicContact CB-CG 4.29Å; P106-F298 HydrophobicContact CG-CD2 3.64Å; P106-F298 HydrophobicContact CG-CE2 3.81Å; P106-F298 HydrophobicContact CG-CG 4.4Å; A109-F298 HydrophobicContact CB-CB 3.82Å; L174-F298 HydrophobicContact CB-CE2 4.12Å; L174-F298 HydrophobicContact CB-CZ 4.09Å; L174-F298 HydrophobicContact CD2-CE1 4.41Å; L174-F298 HydrophobicContact CD2-CZ 4.17Å; V176-F298 HydrophobicContact CB-CZ 4.49Å; V176-F298 HydrophobicContact CG1-CE1 4.07Å; V176-F298 HydrophobicContact CG1-CZ 3.73Å; V176-F298 HydrophobicContact CG2-CE1 4.49Å; V176-F298 HydrophobicContact CG2-CZ 3.91Å; F195-F298 HydrophobicContact CZ-CD1 4.39Å; F195-F298 HydrophobicContact CZ-CE1 4.24Å; L202-F298 HydrophobicContact CD1-CD1 4.13Å; L202-F298 HydrophobicContact CD1-CE1 3.96Å; V291-F298 HydrophobicContact CG1-CB 4.05Å; V291-F298 HydrophobicContact CG1-CD1 3.75Å; V291-F298 HydrophobicContact CG1-CG 4.4Å; L292-F298 WeakPolarHBondContact O-CA 3.27Å; F293-F298 HydrophobicContact CB-CD1 4.39Å; F293-F298 HydrophobicContact CB-CE1 4.21Å; F293-F298 HydrophobicContact CD2-CD1 4.2Å; F293-F298 HydrophobicContact CD2-CD2 4.14Å; F293-F298 AromaticContact CD2-CE1 3.78Å; F293-F298 HydrophobicContact CD2-CE1 3.78Å; F293-F298 AromaticContact CD2-CE2 3.7Å; F293-F298 HydrophobicContact CD2-CE2 3.7Å; F293-F298 HydrophobicContact CD2-CG 4.38Å; F293-F298 AromaticContact CD2-CZ 3.51Å; F293-F298 HydrophobicContact CD2-CZ 3.51Å; F293-F298 AromaticContact CE2-CE2 3.94Å; F293-F298 HydrophobicContact CE2-CE2 3.94Å; F293-F298 AromaticContact CE2-CZ 3.98Å; F293-F298 HydrophobicContact CE2-CZ 3.98Å; F293-F298 HydrophobicContact CG-CE1 4.39Å; F293-F298 HydrophobicContact CG-CZ 4.46Å
299S95.5Very high95.3Very high22 Ų2232.8 Ų32.815%0.15417%0.169CC..EExtended strand (participates in β ladder)trans-126146.7179.6-60.70000110.5V291 L292 H297 I301V291-S299 CarbonylContact C-O 3.57Å; V291-S299 WeakPolarHBondContact CA-O 3.29Å; L292-S299 PolarHBondContact N-O 3.07Å; L292-S299 PolarHBondContact O-N 3.11Å; H297-S299 PolarHBondContact CE1-OG 3.04Å; H297-S299 PolarHBondContact ND1-OG 3.03Å; S299-I301 PolarHBondContact O-N 3.21Å
300V97.6Very high95.3Very high1 Ų132.8 Ų32.81%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-74.7127.2170.3-178.10000108.4A109 N112 L113 L116 L289 L310 L311A109-V300 HydrophobicContact CB-CG2 4.49Å; A109-V300 VanDerWaalsContact O-CG2 3.27Å; A109-V300 WeakPolarHBondContact O-CG2 3.49Å; N112-V300 HydrophobicContact CB-CG2 4.05Å; L113-V300 HydrophobicContact CB-CG1 4.24Å; L113-V300 HydrophobicContact CB-CG2 4.01Å; L113-V300 HydrophobicContact CD1-CG1 4.5Å; L116-V300 HydrophobicContact CD1-CG1 4.21Å; L289-V300 HydrophobicContact CD2-CG1 4.22Å; V300-L310 CarbonylContact O-C 3.5Å; V300-L310 WeakPolarHBondContact O-CA 3.35Å; V300-L311 HydrophobicContact CB-CB 3.86Å; V300-L311 HydrophobicContact CB-CD2 4.26Å; V300-L311 HydrophobicContact CG2-CD2 4.25Å; V300-L311 PolarHBondContact O-N 2.92Å
301I97.6Very high95.3Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-116.7143.7178-170.9171.9000110.8L284 A290 L292 S299 L308 Y309 L310 L328L284-I301 HydrophobicContact CD1-CD1 3.96Å; L284-I301 HydrophobicContact CD1-CG1 4.26Å; L284-I301 HydrophobicContact CD1-CG2 4.21Å; A290-I301 HydrophobicContact CB-CG2 3.79Å; A290-I301 PolarHBondContact N-O 3.5Å; A290-I301 PolarHBondContact O-N 3.2Å; L292-I301 HydrophobicContact CB-CB 4.06Å; L292-I301 HydrophobicContact CB-CD1 4.43Å; L292-I301 HydrophobicContact CB-CG2 3.95Å; L292-I301 HydrophobicContact CD2-CD1 4.3Å; S299-I301 PolarHBondContact O-N 3.21Å; I301-L308 HydrophobicContact CD1-CB 4.29Å; I301-L308 HydrophobicContact CD1-CD1 4.27Å; I301-L308 HydrophobicContact CD1-CD2 4.2Å; I301-L308 HydrophobicContact CD1-CG 4.49Å; I301-Y309 CarbonylContact C-O 3.57Å; I301-Y309 VanDerWaalsContact CA-O 3.3Å; I301-Y309 WeakPolarHBondContact CA-O 3.47Å; I301-Y309 WeakPolarHBondContact CG1-O 3.43Å; I301-L310 HydrophobicContact CB-CD2 3.77Å; I301-L310 HydrophobicContact CD1-CD2 4.08Å; I301-L310 HydrophobicContact CG1-CD2 3.84Å; I301-L328 HydrophobicContact CD1-CD2 4.01Å
302T97.3Very high95.2Very high1 Ų133.4 Ų33.41%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-139.3163.3169.3-162.30000111.5H288 L308 Y309 W325 F342H288-T302 WeakPolarHBondContact O-CA 3.34Å; H288-T302 WeakPolarHBondContact O-CB 3.39Å; H288-T302 PolarHBondContact O-OG1 3.14Å; T302-L308 WeakPolarHBondContact O-CA 3.35Å; T302-Y309 PolarHBondContact N-O 3.36Å; T302-Y309 PolarHBondContact O-N 2.87Å; T302-W325 HydrophobicContact CG2-CE3 4.06Å; T302-W325 HydrophobicContact CG2-CH2 3.94Å; T302-W325 HydrophobicContact CG2-CZ2 4.41Å; T302-W325 HydrophobicContact CG2-CZ3 3.74Å; T302-F342 HydrophobicContact CG2-CE1 3.79Å; T302-F342 HydrophobicContact CG2-CZ 3.83Å
303K96.5Very high95.1Very high26 Ų2634 Ų3411%0.11318%0.177CC..EExtended strand (participates in β ladder)trans-117130.1176.2-175.9-177.2171.7-176.20109.6R281 L284 E286 G287 S307 L308R281-K303 WeakPolarHBondContact O-CE 3.39Å; R281-K303 PolarHBondContact O-NZ 2.89Å; L284-K303 HydrophobicContact CB-CB 4.34Å; L284-K303 HydrophobicContact CB-CD 4.29Å; L284-K303 WeakPolarHBondContact O-CD 3.35Å; L284-K303 PolarHBondContact O-NZ 3.16Å; E286-K303 WeakPolarHBondContact OE1-CE 3.45Å; G287-K303 PolarHBondContact N-O 3.3Å; K303-S307 CarbonylContact C-O 3.57Å; K303-S307 WeakPolarHBondContact CA-O 3.49Å; K303-L308 HydrophobicContact CB-CD2 3.98Å; K303-L308 HydrophobicContact CG-CD2 4.18Å
304R94.7Very high95Very high64 Ų6437.4 Ų37.424%0.24220%0.195CC..EExtended strand (participates in β ladder)trans-141.4128.8174.4-168.7171.5171.4165.5-11.9110.9E286 G306 S307 Y309 D341 F342E286-R304 VanDerWaalsContact OE2-C 3.25Å; E286-R304 WeakPolarHBondContact OE2-CA 3.45Å; E286-R304 PolarHBondContact OE2-N 2.63Å; R304-G306 PolarHBondContact O-N 3.13Å; R304-S307 PolarHBondContact N-O 3.01Å; R304-S307 PolarHBondContact O-N 2.86Å; R304-Y309 HydrophobicContact CB-CD2 4.17Å; R304-Y309 HydrophobicContact CB-CE2 3.8Å; R304-Y309 WeakPolarHBondContact O-CE2 3.38Å; R304-D341 PolarHBondContact NH2-O 3.26Å; R304-F342 HydrophobicContact CB-CD1 4.11Å; R304-F342 HydrophobicContact CB-CE1 4.05Å; R304-F342 HydrophobicContact CB-CZ 4.41Å; R304-F342 VanDerWaalsContact CD-CG 3.43Å; R304-F342 VanDerWaalsContact CZ-CD2 3.47Å
305N93.1Very high94.9Very high140 Ų14037.6 Ų37.675%0.74920%0.198SC*.THydrogen-bonded Turntrans53.837.7-179.9-61.7-23.5000112.6E286 S307E286-N305 PolarHBondContact OE2-N 3.47Å; N305-S307 PolarHBondContact O-N 3.43Å
306G92.7Very high94.9Very high11 Ų1135.6 Ų35.611%0.11320%0.202CC..THydrogen-bonded Turntrans78.2-8-177.800000115.1R281 E286 R304R281-G306 VanDerWaalsContact CD-O 3.27Å; R281-G306 WeakPolarHBondContact CD-O 3.46Å; R281-G306 VanDerWaalsContact CG-O 3.3Å; R281-G306 WeakPolarHBondContact CG-O 3.22Å; R281-G306 PolarHBondContact NE-O 3.28Å; R281-G306 PolarHBondContact NH2-O 3.26Å; E286-G306 WeakPolarHBondContact OE1-CA 3.16Å; E286-G306 PolarHBondContact OE1-N 2.89Å; R304-G306 PolarHBondContact O-N 3.13Å
307S94.6Very high95Very high44 Ų4432.3 Ų32.331%0.30818%0.183SC..EExtended strand (participates in β ladder)trans-97.5149.6177.5-65.40000111.2K303 R304 N305 Y309K303-S307 CarbonylContact C-O 3.57Å; K303-S307 WeakPolarHBondContact CA-O 3.49Å; R304-S307 PolarHBondContact N-O 3.01Å; R304-S307 PolarHBondContact O-N 2.86Å; N305-S307 PolarHBondContact O-N 3.43Å; S307-Y309 WeakPolarHBondContact O-CD2 2.98Å; S307-Y309 WeakPolarHBondContact O-CE2 3.36Å
308L96.7Very high95Very high5 Ų532.5 Ų32.53%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-95.9143176.7-64175.1000110.1L277 L280 R281 L284 I301 T302 K303 L328L277-L308 HydrophobicContact CD1-CD1 3.9Å; L280-L308 HydrophobicContact CB-CD1 3.87Å; R281-L308 HydrophobicContact CB-CD1 4.27Å; R281-L308 HydrophobicContact CB-CG 4.45Å; L284-L308 HydrophobicContact CD1-CD2 3.79Å; I301-L308 HydrophobicContact CD1-CB 4.29Å; I301-L308 HydrophobicContact CD1-CD1 4.27Å; I301-L308 HydrophobicContact CD1-CD2 4.2Å; I301-L308 HydrophobicContact CD1-CG 4.49Å; T302-L308 WeakPolarHBondContact O-CA 3.35Å; K303-L308 HydrophobicContact CB-CD2 3.98Å; K303-L308 HydrophobicContact CG-CD2 4.18Å; L308-L328 HydrophobicContact CB-CB 4.05Å; L308-L328 HydrophobicContact CD1-CD2 4.47Å; L308-L328 PolarHBondContact O-N 2.94Å
309Y97.1Very high94.7Very high21 Ų2141.3 Ų41.38%0.08222%0.223CC..EExtended strand (participates in β ladder)trans-135.9139-178.4-59-89.5000110.8I301 T302 R304 S307 W325 E326 T327 V338 F342I301-Y309 CarbonylContact C-O 3.57Å; I301-Y309 VanDerWaalsContact CA-O 3.3Å; I301-Y309 WeakPolarHBondContact CA-O 3.47Å; I301-Y309 WeakPolarHBondContact CG1-O 3.43Å; T302-Y309 PolarHBondContact N-O 3.36Å; T302-Y309 PolarHBondContact O-N 2.87Å; R304-Y309 HydrophobicContact CB-CD2 4.17Å; R304-Y309 HydrophobicContact CB-CE2 3.8Å; R304-Y309 WeakPolarHBondContact O-CE2 3.38Å; S307-Y309 WeakPolarHBondContact O-CD2 2.98Å; S307-Y309 WeakPolarHBondContact O-CE2 3.36Å; Y309-W325 HydrophobicContact CD1-CB 4.42Å; Y309-E326 CarbonylContact C-O 3.46Å; Y309-E326 VanDerWaalsContact CA-O 3.24Å; Y309-E326 WeakPolarHBondContact CA-O 3.23Å; Y309-T327 HydrophobicContact CD1-CG2 4.09Å; Y309-T327 HydrophobicContact CE1-CG2 3.8Å; Y309-V338 HydrophobicContact CD1-CG2 3.68Å; Y309-V338 HydrophobicContact CE1-CG1 4.16Å; Y309-V338 HydrophobicContact CE1-CG2 3.76Å; Y309-F342 AromaticContact CD1-CD1 3.78Å; Y309-F342 HydrophobicContact CD1-CD1 3.78Å; Y309-F342 HydrophobicContact CD1-CE1 4.25Å; Y309-F342 AromaticContact CD2-CD1 3.56Å; Y309-F342 HydrophobicContact CD2-CD1 3.56Å; Y309-F342 AromaticContact CD2-CE1 3.57Å; Y309-F342 HydrophobicContact CD2-CE1 3.57Å; Y309-F342 AromaticContact CE1-CD1 3.87Å; Y309-F342 HydrophobicContact CE1-CD1 3.87Å; Y309-F342 AromaticContact CE2-CD1 3.67Å; Y309-F342 HydrophobicContact CE2-CD1 3.67Å; Y309-F342 HydrophobicContact CE2-CE1 4.1Å; Y309-F342 AromaticContact CG-CD1 3.62Å; Y309-F342 HydrophobicContact CG-CD1 3.62Å; Y309-F342 AromaticContact CG-CE1 3.65Å; Y309-F342 HydrophobicContact CG-CE1 3.65Å; Y309-F342 AromaticContact CZ-CD1 3.81Å
310L96.9Very high94.5Very high13 Ų1342.9 Ų42.97%0.06823%0.228CC..EExtended strand (participates in β ladder)trans-106.8138.5175.9-59.7179.1000110.1L292 V300 I301 V312 W325 E326 L328L292-L310 HydrophobicContact CB-CD2 4.43Å; L292-L310 HydrophobicContact CD2-CD1 4.45Å; L292-L310 HydrophobicContact CD2-CD2 3.72Å; V300-L310 CarbonylContact O-C 3.5Å; V300-L310 WeakPolarHBondContact O-CA 3.35Å; I301-L310 HydrophobicContact CB-CD2 3.77Å; I301-L310 HydrophobicContact CD1-CD2 4.08Å; I301-L310 HydrophobicContact CG1-CD2 3.84Å; L310-V312 PolarHBondContact O-N 2.7Å; L310-W325 VanDerWaalsContact C-CE3 3.47Å; L310-W325 CarbonylContact O-C 3.55Å; L310-W325 VanDerWaalsContact O-CA 3.25Å; L310-W325 WeakPolarHBondContact O-CA 3.22Å; L310-E326 PolarHBondContact N-O 2.79Å; L310-E326 PolarHBondContact O-N 2.91Å; L310-L328 HydrophobicContact CD1-CB 4.37Å; L310-L328 HydrophobicContact CD1-CD1 4.14Å; L310-L328 HydrophobicContact CD1-CD2 4.37Å; L310-L328 HydrophobicContact CD2-CD2 4.26Å; L310-L328 HydrophobicContact CG-CB 4.21Å; L310-L328 HydrophobicContact CG-CD2 4.42Å
311L97.1Very high94.1Very high5 Ų546.6 Ų46.63%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-71.3129.1176.3-17472.1000109.9I96 N112 L116 V300 T313 V324 W325I96-L311 HydrophobicContact CB-CD2 4.48Å; I96-L311 HydrophobicContact CD1-CD1 4.16Å; I96-L311 HydrophobicContact CD1-CD2 4.46Å; I96-L311 HydrophobicContact CD1-CG 4.38Å; I96-L311 HydrophobicContact CG2-CD2 4.18Å; N112-L311 HydrophobicContact CB-CD2 3.76Å; L116-L311 HydrophobicContact CD1-CD1 4.4Å; L116-L311 HydrophobicContact CD1-CD2 4.11Å; V300-L311 HydrophobicContact CB-CB 3.86Å; V300-L311 HydrophobicContact CB-CD2 4.26Å; V300-L311 HydrophobicContact CG2-CD2 4.25Å; V300-L311 PolarHBondContact O-N 2.92Å; L311-T313 HydrophobicContact CD2-CG2 4.13Å; L311-T313 HydrophobicContact CG-CG2 4.3Å; L311-T313 PolarHBondContact O-N 3.38Å; L311-V324 HydrophobicContact CD1-CG1 4.16Å; L311-W325 HydrophobicContact CB-CE3 4.1Å; L311-W325 HydrophobicContact CB-CH2 4.19Å; L311-W325 HydrophobicContact CB-CZ3 3.73Å; L311-W325 HydrophobicContact CD1-CD2 4.32Å; L311-W325 HydrophobicContact CD1-CE3 4.33Å; L311-W325 HydrophobicContact CD1-CH2 3.95Å; L311-W325 HydrophobicContact CD1-CZ2 3.95Å; L311-W325 HydrophobicContact CD1-CZ3 4.16Å
312V95.9Very high93.8Very high8 Ų851 Ų515%0.04828%0.276CS..  trans-78.1108.6176.7-178.90000109L310 F317 V324 E326 F337L310-V312 PolarHBondContact O-N 2.7Å; V312-F317 HydrophobicContact CG1-CB 4.05Å; V312-F317 HydrophobicContact CG1-CD2 3.5Å; V312-F317 HydrophobicContact CG1-CE2 4.2Å; V312-F317 HydrophobicContact CG1-CG 3.95Å; V312-V324 PolarHBondContact N-O 2.84Å; V312-E326 HydrophobicContact CG2-CB 4.02Å; V312-F337 HydrophobicContact CG2-CD1 3.83Å; V312-F337 HydrophobicContact CG2-CE1 3.86Å
313T95.3Very high93.6Very high14 Ų1451.7 Ų51.79%0.08628%0.278CS..  trans-108.6-3.7-179.454.90000113.6T98 Q99 N112 L311 Q315T98-T313 CarbonylContact C-O 3.59Å; T98-T313 WeakPolarHBondContact CA-O 3.37Å; T98-T313 WeakPolarHBondContact CB-O 3.38Å; Q99-T313 PolarHBondContact N-O 3.46Å; Q99-T313 PolarHBondContact NE2-OG1 3.49Å; N112-T313 WeakPolarHBondContact ND2-CG2 3.29Å; L311-T313 HydrophobicContact CD2-CG2 4.13Å; L311-T313 HydrophobicContact CG-CG2 4.3Å; L311-T313 PolarHBondContact O-N 3.38Å; T313-Q315 PolarHBondContact O-N 3.45Å
314D93.8Very high93.6Very high86 Ų8650.5 Ų50.546%0.4627%0.273SS..BIsolated β-bridgetrans-66.4128178.8-175.3-15.3000111.1G316 F317D314-G316 PolarHBondContact O-N 3.07Å; D314-G316 VanDerWaalsContact O-N 3.15Å; D314-G316 PolarHBondContact OD1-N 3.29Å; D314-F317 HydrophobicContact CB-CD2 4.13Å; D314-F317 HydrophobicContact CB-CE2 4.49Å; D314-F317 PolarHBondContact O-N 2.88Å; D314-F317 VanDerWaalsContact O-N 3.1Å
315Q91.8Very high93.7Very high57 Ų5747.4 Ų47.427%0.26626%0.262SS..G310 helixtrans-59.8-20.7177.7-171172.5-17.800113.1Q83 Q99 N100 T313 F317 L318Q83-Q315 HydrophobicContact CG-CG 4.37Å; Q83-Q315 VanDerWaalsContact CG-NE2 3.32Å; Q99-Q315 WeakPolarHBondContact O-CB 3.37Å; Q99-Q315 PolarHBondContact O-N 3.28Å; N100-Q315 HydrophobicContact CB-CB 4.41Å; N100-Q315 VanDerWaalsContact CB-OE1 3.31Å; T313-Q315 PolarHBondContact O-N 3.45Å; Q315-F317 PolarHBondContact O-N 3.17Å; Q315-L318 HydrophobicContact CG-CB 4.46Å; Q315-L318 HydrophobicContact CG-CD2 4.36Å; Q315-L318 WeakPolarHBondContact O-CB 3.4Å; Q315-L318 PolarHBondContact O-N 3.18Å
316G91.5Very high93.8Very high62 Ų6243.6 Ų43.664%0.63924%0.239SC*.G310 helixtrans-56.3-28.317200000114D314D314-G316 PolarHBondContact O-N 3.07Å; D314-G316 VanDerWaalsContact O-N 3.15Å; D314-G316 PolarHBondContact OD1-N 3.29Å
317F92Very high94Very high50 Ų5043.9 Ų43.922%0.21924%0.239CC..G310 helixtrans-98.612.3178.2-60.3-78.8000113.7K85 V312 D314 Q315 K319 E320 Y323 F337K85-F317 WeakPolarHBondContact CE-O 3.26Å; K85-F317 PolarHBondContact NZ-O 3.48Å; V312-F317 HydrophobicContact CG1-CB 4.05Å; V312-F317 HydrophobicContact CG1-CD2 3.5Å; V312-F317 HydrophobicContact CG1-CE2 4.2Å; V312-F317 HydrophobicContact CG1-CG 3.95Å; D314-F317 HydrophobicContact CB-CD2 4.13Å; D314-F317 HydrophobicContact CB-CE2 4.49Å; D314-F317 PolarHBondContact O-N 2.88Å; D314-F317 VanDerWaalsContact O-N 3.1Å; Q315-F317 PolarHBondContact O-N 3.17Å; F317-K319 VanDerWaalsContact C-N 3.28Å; F317-K319 PolarHBondContact O-N 3.49Å; F317-E320 PolarHBondContact O-N 2.83Å; F317-E320 VanDerWaalsContact O-N 3.13Å; F317-Y323 AromaticContact CD1-CD1 3.66Å; F317-Y323 HydrophobicContact CD1-CD1 3.66Å; F317-Y323 HydrophobicContact CD1-CE1 4.33Å; F317-Y323 AromaticContact CD1-CG 3.82Å; F317-Y323 HydrophobicContact CD1-CG 3.82Å; F317-Y323 AromaticContact CE1-CD1 3.65Å; F317-Y323 HydrophobicContact CE1-CD1 3.65Å; F317-Y323 HydrophobicContact CE1-CE1 4.02Å; F317-Y323 HydrophobicContact CE1-CG 4.3Å; F317-F337 HydrophobicContact CE1-CE2 4.19Å; F317-F337 HydrophobicContact CE1-CZ 4.1Å; F317-F337 HydrophobicContact CE2-CE1 4.24Å; F317-F337 AromaticContact CE2-CZ 3.94Å; F317-F337 HydrophobicContact CE2-CZ 3.94Å; F317-F337 HydrophobicContact CZ-CE1 4.06Å; F317-F337 AromaticContact CZ-CE2 3.86Å; F317-F337 HydrophobicContact CZ-CE2 3.86Å; F317-F337 AromaticContact CZ-CZ 3.45Å; F317-F337 HydrophobicContact CZ-CZ 3.45Å; F317-F337 VanDerWaalsContact CZ-CZ 3.45Å
318L91.4Very high94Very high47 Ų4742.2 Ų42.225%0.24623%0.226CC..THydrogen-bonded Turntrans-55.5-42.6-177.9179.664000112.4Q83 K85 T98 Q315 E320Q83-L318 HydrophobicContact CB-CD1 4.09Å; Q83-L318 HydrophobicContact CB-CD2 3.74Å; Q83-L318 HydrophobicContact CG-CD2 3.94Å; K85-L318 HydrophobicContact CB-CD1 3.84Å; K85-L318 HydrophobicContact CG-CD1 4.45Å; T98-L318 HydrophobicContact CG2-CD1 4.34Å; Q315-L318 HydrophobicContact CG-CB 4.46Å; Q315-L318 HydrophobicContact CG-CD2 4.36Å; Q315-L318 WeakPolarHBondContact O-CB 3.4Å; Q315-L318 PolarHBondContact O-N 3.18Å; L318-E320 VanDerWaalsContact C-N 3.32Å; L318-E320 PolarHBondContact O-N 2.92Å
319K90.6Very high93.6Very high190 Ų19046.5 Ų46.583%0.82625%0.25SC*.THydrogen-bonded Turntrans-82.5-5.4-177.6-64.2-175.2179.8179.80114.4F317 P321F317-K319 VanDerWaalsContact C-N 3.28Å; F317-K319 PolarHBondContact O-N 3.49Å; K319-P321 VanDerWaalsContact O-CD 3.24Å; K319-P321 WeakPolarHBondContact O-CD 3.24Å
320E91.3Very high93.2Very high55 Ų5547 Ų4726%0.25726%0.256SS..  trans-108.790.2-171.9-62.9-71.8176.400109.4K85 F317 L318 N322 Y323 K348K85-E320 WeakPolarHBondContact CE-O 3.49Å; K85-E320 PolarHBondContact NZ-O 3.03Å; F317-E320 PolarHBondContact O-N 2.83Å; F317-E320 VanDerWaalsContact O-N 3.13Å; L318-E320 VanDerWaalsContact C-N 3.32Å; L318-E320 PolarHBondContact O-N 2.92Å; E320-N322 PolarHBondContact O-N 2.84Å; E320-N322 VanDerWaalsContact O-N 3.16Å; E320-Y323 HydrophobicContact CB-CD2 3.58Å; E320-Y323 HydrophobicContact CB-CE2 4.18Å; E320-Y323 HydrophobicContact CB-CG 4.22Å; E320-Y323 HydrophobicContact CG-CD2 4.38Å; E320-Y323 PolarHBondContact O-N 3.46Å; E320-Y323 VanDerWaalsContact O-N 3.15Å; E320-K348 IonicContact OE1-NZ 3.42Å; E320-K348 PolarHBondContact OE1-NZ 3.07Å
321P88.1Confident92.6Very high80 Ų8047.7 Ų47.752%0.51926%0.259SS..THydrogen-bonded Turntrans-64.8-24.8-169.625.9-35.6000113.5K319 Y323 V324K319-P321 VanDerWaalsContact O-CD 3.24Å; K319-P321 WeakPolarHBondContact O-CD 3.24Å; P321-Y323 VanDerWaalsContact C-N 3.33Å; P321-V324 WeakPolarHBondContact O-CG2 3.29Å
322N92.1Very high91.9Very high91 Ų9153 Ų5349%0.48729%0.288SS..THydrogen-bonded Turntrans-78-16.7-179.1-61.5-21.2000112.9E320 V324 D339 V345E320-N322 PolarHBondContact O-N 2.84Å; E320-N322 VanDerWaalsContact O-N 3.16Å; N322-V324 PolarHBondContact O-N 3.15Å; N322-D339 WeakPolarHBondContact O-CA 3.42Å; N322-D339 WeakPolarHBondContact O-CB 3.34Å; N322-V345 HydrophobicContact CB-CG1 4.2Å; N322-V345 HydrophobicContact CB-CG2 3.97Å; N322-V345 WeakPolarHBondContact O-CG2 3.03Å
323Y93.6Very high91.2Very high16 Ų1654.6 Ų54.66%0.06331%0.306CS..  trans-90.489.5-178.4-70.7-109.4000109.1K85 F317 E320 P321 F337 V345 P346 K348K85-Y323 PolarHBondContact NZ-O 3.41Å; F317-Y323 AromaticContact CD1-CD1 3.66Å; F317-Y323 HydrophobicContact CD1-CD1 3.66Å; F317-Y323 HydrophobicContact CD1-CE1 4.33Å; F317-Y323 AromaticContact CD1-CG 3.82Å; F317-Y323 HydrophobicContact CD1-CG 3.82Å; F317-Y323 AromaticContact CE1-CD1 3.65Å; F317-Y323 HydrophobicContact CE1-CD1 3.65Å; F317-Y323 HydrophobicContact CE1-CE1 4.02Å; F317-Y323 HydrophobicContact CE1-CG 4.3Å; E320-Y323 HydrophobicContact CB-CD2 3.58Å; E320-Y323 HydrophobicContact CB-CE2 4.18Å; E320-Y323 HydrophobicContact CB-CG 4.22Å; E320-Y323 HydrophobicContact CG-CD2 4.38Å; E320-Y323 PolarHBondContact O-N 3.46Å; E320-Y323 VanDerWaalsContact O-N 3.15Å; P321-Y323 VanDerWaalsContact C-N 3.33Å; Y323-F337 HydrophobicContact CD1-CB 3.53Å; Y323-F337 AromaticContact CD1-CD1 3.94Å; Y323-F337 HydrophobicContact CD1-CD1 3.94Å; Y323-F337 AromaticContact CD1-CD2 3.65Å; Y323-F337 HydrophobicContact CD1-CD2 3.65Å; Y323-F337 HydrophobicContact CD1-CE2 4.33Å; Y323-F337 AromaticContact CD1-CG 3.42Å; Y323-F337 HydrophobicContact CD1-CG 3.42Å; Y323-F337 VanDerWaalsContact CD1-CG 3.42Å; Y323-F337 HydrophobicContact CE1-CB 3.81Å; Y323-F337 AromaticContact CE1-CD2 3.57Å; Y323-F337 HydrophobicContact CE1-CD2 3.57Å; Y323-F337 HydrophobicContact CE1-CE2 4.32Å; Y323-F337 AromaticContact CE1-CG 3.77Å; Y323-F337 HydrophobicContact CE1-CG 3.77Å; Y323-F337 HydrophobicContact CG-CB 4.44Å; Y323-V345 HydrophobicContact CD2-CG1 4.17Å; Y323-V345 HydrophobicContact CE1-CG1 4.44Å; Y323-V345 HydrophobicContact CE2-CG1 3.65Å; Y323-P346 PolarHBondContact OH-O 2.67Å; Y323-K348 PolarHBondContact OH-N 3.29Å
324V95.8Very high90.7Very high1 Ų159.6 Ų59.61%0.00633%0.332CS..  trans-112.8-43-174.4-175.70000111.3V87 L311 V312 P321 N322 V338V87-V324 HydrophobicContact CB-CG1 4.14Å; V87-V324 HydrophobicContact CB-CG2 4.17Å; V87-V324 HydrophobicContact CG1-CG1 4.13Å; V87-V324 HydrophobicContact CG1-CG2 3.91Å; V87-V324 HydrophobicContact CG2-CG1 4.33Å; L311-V324 HydrophobicContact CD1-CG1 4.16Å; V312-V324 PolarHBondContact N-O 2.84Å; P321-V324 WeakPolarHBondContact O-CG2 3.29Å; N322-V324 PolarHBondContact O-N 3.15Å; V324-V338 PolarHBondContact N-O 3.35Å
325W96.8Very high90.6Very high0 Ų057.1 Ų57.10%032%0.321CS..EExtended strand (participates in β ladder)trans-126.3151.8-176.6-62.699.6000110.9W89 L116 L289 T302 Y309 L310 L311 F337 V338 F342W89-W325 AromaticContact CE3-CZ2 3.9Å; W89-W325 HydrophobicContact CE3-CZ2 3.9Å; W89-W325 HydrophobicContact CH2-CH2 4.3Å; W89-W325 AromaticContact CH2-CZ2 3.64Å; W89-W325 HydrophobicContact CH2-CZ2 3.64Å; W89-W325 HydrophobicContact CZ2-CZ2 4.48Å; W89-W325 AromaticContact CZ3-CE2 3.67Å; W89-W325 HydrophobicContact CZ3-CH2 4.35Å; W89-W325 AromaticContact CZ3-CZ2 3.3Å; W89-W325 HydrophobicContact CZ3-CZ2 3.3Å; W89-W325 AromaticContact CZ3-NE1 3.62Å; L116-W325 HydrophobicContact CD1-CH2 3.93Å; L116-W325 HydrophobicContact CD1-CZ2 4.2Å; L289-W325 HydrophobicContact CD2-CH2 4.18Å; T302-W325 HydrophobicContact CG2-CE3 4.06Å; T302-W325 HydrophobicContact CG2-CH2 3.94Å; T302-W325 HydrophobicContact CG2-CZ2 4.41Å; T302-W325 HydrophobicContact CG2-CZ3 3.74Å; Y309-W325 HydrophobicContact CD1-CB 4.42Å; L310-W325 VanDerWaalsContact C-CE3 3.47Å; L310-W325 CarbonylContact O-C 3.55Å; L310-W325 VanDerWaalsContact O-CA 3.25Å; L310-W325 WeakPolarHBondContact O-CA 3.22Å; L311-W325 HydrophobicContact CB-CE3 4.1Å; L311-W325 HydrophobicContact CB-CH2 4.19Å; L311-W325 HydrophobicContact CB-CZ3 3.73Å; L311-W325 HydrophobicContact CD1-CD2 4.32Å; L311-W325 HydrophobicContact CD1-CE3 4.33Å; L311-W325 HydrophobicContact CD1-CH2 3.95Å; L311-W325 HydrophobicContact CD1-CZ2 3.95Å; L311-W325 HydrophobicContact CD1-CZ3 4.16Å; W325-F337 CarbonylContact O-C 3.59Å; W325-F337 WeakPolarHBondContact O-CA 3.47Å; W325-V338 HydrophobicContact CB-CG2 3.49Å; W325-V338 VanDerWaalsContact CB-CG2 3.49Å; W325-V338 HydrophobicContact CG-CG2 4.45Å; W325-V338 PolarHBondContact N-O 3.42Å; W325-V338 PolarHBondContact O-N 3.38Å; W325-F342 HydrophobicContact CD2-CE1 4.22Å; W325-F342 HydrophobicContact CD2-CZ 4.32Å; W325-F342 HydrophobicContact CG-CE1 4.12Å; W325-F342 HydrophobicContact CG-CZ 4.42Å; W325-F342 AromaticContact NE1-CZ 3.83Å
326E95.5Very high90.6Very high59 Ų5959.3 Ų59.328%0.27633%0.332SS..EExtended strand (participates in β ladder)trans-120.7135.4176.6-179.7-175.2179.600109Y309 L310 V312 S335 H336 F337Y309-E326 CarbonylContact C-O 3.46Å; Y309-E326 VanDerWaalsContact CA-O 3.24Å; Y309-E326 WeakPolarHBondContact CA-O 3.23Å; L310-E326 PolarHBondContact N-O 2.79Å; L310-E326 PolarHBondContact O-N 2.91Å; V312-E326 HydrophobicContact CG2-CB 4.02Å; E326-S335 VanDerWaalsContact CG-CB 3.49Å; E326-S335 WeakPolarHBondContact CG-OG 3.42Å; E326-S335 WeakPolarHBondContact OE1-CB 3.44Å; E326-S335 PolarHBondContact OE1-OG 3.31Å; E326-H336 CarbonylContact C-O 3.53Å; E326-H336 WeakPolarHBondContact CA-O 3.37Å; E326-F337 HydrophobicContact CB-CD1 4.21Å; E326-F337 HydrophobicContact CB-CE1 4.23Å; E326-F337 HydrophobicContact CG-CD1 4.48Å; E326-F337 HydrophobicContact CG-CE1 4.27Å
327T95.8Very high90.8Very high18 Ų1858.8 Ų58.811%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-70.1140.3178.460.80000111.7Y309 D329 S335 H336 V338Y309-T327 HydrophobicContact CD1-CG2 4.09Å; Y309-T327 HydrophobicContact CE1-CG2 3.8Å; T327-D329 PolarHBondContact OG1-OD1 3.37Å; T327-S335 VanDerWaalsContact O-CB 3.25Å; T327-S335 WeakPolarHBondContact O-CB 3.42Å; T327-H336 HydrophobicContact CG2-CB 4.21Å; T327-H336 PolarHBondContact N-O 3.45Å; T327-H336 PolarHBondContact OG1-N 2.94Å; T327-V338 HydrophobicContact CG2-CG1 4.14Å
328L94.4Very high90.9Very high8 Ų856.7 Ų56.74%0.04230%0.303CS..  trans-116.382.7170.7-174.168000109.7L272 L277 L292 R294 I301 L308 L310L272-L328 HydrophobicContact CD2-CD1 3.94Å; L277-L328 HydrophobicContact CD1-CD2 4.06Å; L277-L328 HydrophobicContact CD1-CG 3.81Å; L292-L328 HydrophobicContact CD2-CD2 3.8Å; R294-L328 VanDerWaalsContact NH1-CD1 3.3Å; I301-L328 HydrophobicContact CD1-CD2 4.01Å; L308-L328 HydrophobicContact CB-CB 4.05Å; L308-L328 HydrophobicContact CD1-CD2 4.47Å; L308-L328 PolarHBondContact O-N 2.94Å; L310-L328 HydrophobicContact CD1-CB 4.37Å; L310-L328 HydrophobicContact CD1-CD1 4.14Å; L310-L328 HydrophobicContact CD1-CD2 4.37Å; L310-L328 HydrophobicContact CD2-CD2 4.26Å; L310-L328 HydrophobicContact CG-CB 4.21Å; L310-L328 HydrophobicContact CG-CD2 4.42Å
329D89.2Confident91.1Very high96 Ų9656.2 Ų56.251%0.51330%0.301SS..  trans-121.6-23.3-175.961.2-33.5000113.5L277 T327L277-D329 VanDerWaalsContact CD2-O 3.29Å; L277-D329 WeakPolarHBondContact CD2-O 3.18Å; T327-D329 PolarHBondContact OG1-OD1 3.37Å
330S87.8Confident91.2Very high31 Ų3147.8 Ų47.822%0.21727%0.266CS..  trans-121.8156.8173.4-1730000112.9D332S330-D332 PolarHBondContact OG-N 3.13Å; S330-D332 PolarHBondContact OG-OD2 2.95Å
331I85.8Confident91.3Very high27 Ų2747.7 Ų47.714%0.13827%0.267CS..SBendtrans-79.2-28.6172.3-56.6170000110.7S270 L272 T273 R274 R294 G333S270-I331 WeakPolarHBondContact OG-CG2 3.14Å; L272-I331 HydrophobicContact CB-CG2 4.43Å; L272-I331 HydrophobicContact CD2-CG1 4.45Å; L272-I331 HydrophobicContact CG-CG1 4.28Å; L272-I331 VanDerWaalsContact O-CG2 3.25Å; L272-I331 WeakPolarHBondContact O-CG2 3.23Å; T273-I331 VanDerWaalsContact C-CD1 3.47Å; R274-I331 HydrophobicContact CB-CD1 3.99Å; R274-I331 HydrophobicContact CG-CD1 3.24Å; R274-I331 HydrophobicContact CG-CG1 4.38Å; R294-I331 PolarHBondContact NH2-O 3.38Å; R294-I331 VanDerWaalsContact NH2-O 3.12Å; I331-G333 PolarHBondContact O-N 3.09Å; I331-G333 VanDerWaalsContact O-N 3.17Å
332D81.9Confident91.5Very high116 Ų11644.8 Ų44.862%0.6225%0.246SC*.SBendtrans-74.7-6-169.7-52.2-39.9000112.8S330 N334S330-D332 PolarHBondContact OG-N 3.13Å; S330-D332 PolarHBondContact OG-OD2 2.95Å; D332-N334 VanDerWaalsContact C-N 3.34Å
333G79.9Confident91.6Very high42 Ų4247.1 Ų47.143%0.43325%0.252SS..  trans84.15.5-178.200000114.4I331 S335I331-G333 PolarHBondContact O-N 3.09Å; I331-G333 VanDerWaalsContact O-N 3.17Å; G333-S335 VanDerWaalsContact C-N 3.34Å; G333-S335 PolarHBondContact O-N 3.48Å
334N85.9Confident91.5Very high120 Ų12052 Ų5264%0.64228%0.279SS*.  trans-72.490.6169.8-69.6-16.5000109.4D332D332-N334 VanDerWaalsContact C-N 3.34Å
335S90.8Very high91.3Very high33 Ų3352.8 Ų52.823%0.23128%0.284CS..  trans-114.3166.6-179.360.20000111.7E326 T327 G333E326-S335 VanDerWaalsContact CG-CB 3.49Å; E326-S335 WeakPolarHBondContact CG-OG 3.42Å; E326-S335 WeakPolarHBondContact OE1-CB 3.44Å; E326-S335 PolarHBondContact OE1-OG 3.31Å; T327-S335 VanDerWaalsContact O-CB 3.25Å; T327-S335 WeakPolarHBondContact O-CB 3.42Å; G333-S335 VanDerWaalsContact C-N 3.34Å; G333-S335 PolarHBondContact O-N 3.48Å
336H93.2Very high90.5Very high104 Ų10457.6 Ų57.648%0.48132%0.315SS..  trans-124.7143174-62.2-53.7000110.3E326 T327 L344E326-H336 CarbonylContact C-O 3.53Å; E326-H336 WeakPolarHBondContact CA-O 3.37Å; T327-H336 HydrophobicContact CG2-CB 4.21Å; T327-H336 PolarHBondContact N-O 3.45Å; T327-H336 PolarHBondContact OG1-N 2.94Å; H336-L344 HydrophobicContact CB-CD1 3.58Å
337F95Very high89.5Confident51 Ų5158.8 Ų58.822%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-84139.7172.9-63.9-70.2000110.9V312 F317 Y323 W325 E326 V345V312-F337 HydrophobicContact CG2-CD1 3.83Å; V312-F337 HydrophobicContact CG2-CE1 3.86Å; F317-F337 HydrophobicContact CE1-CE2 4.19Å; F317-F337 HydrophobicContact CE1-CZ 4.1Å; F317-F337 HydrophobicContact CE2-CE1 4.24Å; F317-F337 AromaticContact CE2-CZ 3.94Å; F317-F337 HydrophobicContact CE2-CZ 3.94Å; F317-F337 HydrophobicContact CZ-CE1 4.06Å; F317-F337 AromaticContact CZ-CE2 3.86Å; F317-F337 HydrophobicContact CZ-CE2 3.86Å; F317-F337 AromaticContact CZ-CZ 3.45Å; F317-F337 HydrophobicContact CZ-CZ 3.45Å; F317-F337 VanDerWaalsContact CZ-CZ 3.45Å; Y323-F337 HydrophobicContact CD1-CB 3.53Å; Y323-F337 AromaticContact CD1-CD1 3.94Å; Y323-F337 HydrophobicContact CD1-CD1 3.94Å; Y323-F337 AromaticContact CD1-CD2 3.65Å; Y323-F337 HydrophobicContact CD1-CD2 3.65Å; Y323-F337 HydrophobicContact CD1-CE2 4.33Å; Y323-F337 AromaticContact CD1-CG 3.42Å; Y323-F337 HydrophobicContact CD1-CG 3.42Å; Y323-F337 VanDerWaalsContact CD1-CG 3.42Å; Y323-F337 HydrophobicContact CE1-CB 3.81Å; Y323-F337 AromaticContact CE1-CD2 3.57Å; Y323-F337 HydrophobicContact CE1-CD2 3.57Å; Y323-F337 HydrophobicContact CE1-CE2 4.32Å; Y323-F337 AromaticContact CE1-CG 3.77Å; Y323-F337 HydrophobicContact CE1-CG 3.77Å; Y323-F337 HydrophobicContact CG-CB 4.44Å; W325-F337 CarbonylContact O-C 3.59Å; W325-F337 WeakPolarHBondContact O-CA 3.47Å; E326-F337 HydrophobicContact CB-CD1 4.21Å; E326-F337 HydrophobicContact CB-CE1 4.23Å; E326-F337 HydrophobicContact CG-CD1 4.48Å; E326-F337 HydrophobicContact CG-CE1 4.27Å; F337-V345 PolarHBondContact O-N 3.1Å
338V94.9Very high88.1Confident5 Ų565.1 Ų65.13%0.0336%0.361CS..EExtended strand (participates in β ladder)trans-131153.8175.4-49.70000110.6Y309 V324 W325 T327 F342 F343Y309-V338 HydrophobicContact CD1-CG2 3.68Å; Y309-V338 HydrophobicContact CE1-CG1 4.16Å; Y309-V338 HydrophobicContact CE1-CG2 3.76Å; V324-V338 PolarHBondContact N-O 3.35Å; W325-V338 HydrophobicContact CB-CG2 3.49Å; W325-V338 VanDerWaalsContact CB-CG2 3.49Å; W325-V338 HydrophobicContact CG-CG2 4.45Å; W325-V338 PolarHBondContact N-O 3.42Å; W325-V338 PolarHBondContact O-N 3.38Å; T327-V338 HydrophobicContact CG2-CG1 4.14Å; V338-F342 HydrophobicContact CG2-CB 4.3Å; V338-F342 HydrophobicContact CG2-CD1 4.23Å; V338-F342 HydrophobicContact CG2-CG 4.48Å; V338-F343 CarbonylContact C-O 3.59Å; V338-F343 WeakPolarHBondContact CA-O 3.33Å; V338-F343 VanDerWaalsContact CB-O 3.31Å; V338-F343 WeakPolarHBondContact CB-O 3.47Å
339D94.5Very high86.1Confident37 Ų3770 Ų7020%0.19839%0.391CS..  trans-78.3-179.5179.871.511.5000113.4N322 D341 F342 F343 V345N322-D339 WeakPolarHBondContact O-CA 3.42Å; N322-D339 WeakPolarHBondContact O-CB 3.34Å; D339-D341 PolarHBondContact O-N 2.95Å; D339-D341 VanDerWaalsContact O-N 3.15Å; D339-D341 VanDerWaalsContact OD1-C 3.26Å; D339-D341 WeakPolarHBondContact OD1-CA 3.43Å; D339-D341 PolarHBondContact OD1-N 2.92Å; D339-F342 WeakPolarHBondContact O-CA 3.3Å; D339-F342 PolarHBondContact O-N 3.48Å; D339-F342 PolarHBondContact OD1-N 3.15Å; D339-F343 PolarHBondContact N-O 3.45Å; D339-F343 PolarHBondContact OD1-N 3.05Å; D339-V345 HydrophobicContact CB-CG2 4.02Å
340S93.6Very high84Confident14 Ų1474.8 Ų74.810%0.09841%0.411CS..THydrogen-bonded Turntrans-51.5-30.7174.4-73.50000114.6K88 F342K88-S340 PolarHBondContact N-OG 3.01Å; K88-S340 WeakPolarHBondContact O-CB 3.5Å; K88-S340 PolarHBondContact O-OG 3.15Å; S340-F342 WeakPolarHBondContact O-CD2 3.44Å
341D92.8Very high81.8Confident52 Ų5277.7 Ų77.728%0.27843%0.431SS..THydrogen-bonded Turntrans-98.16.4-178.6-68.1-46000111.8K88 R304 D339 F343K88-D341 IonicContact NZ-OD2 2.71Å; K88-D341 PolarHBondContact NZ-OD2 3.33Å; R304-D341 PolarHBondContact NH2-O 3.26Å; D339-D341 PolarHBondContact O-N 2.95Å; D339-D341 VanDerWaalsContact O-N 3.15Å; D339-D341 VanDerWaalsContact OD1-C 3.26Å; D339-D341 WeakPolarHBondContact OD1-CA 3.43Å; D339-D341 PolarHBondContact OD1-N 2.92Å; D341-F343 HydrophobicContact CB-CD2 3.7Å; D341-F343 HydrophobicContact CB-CE2 3.69Å
342F92.6Very high79.5Confident20 Ų2080.7 Ų80.79%0.08845%0.454CS..  trans66.931177-59-112.7000113.7W89 T302 R304 Y309 W325 V338 D339 S340W89-F342 HydrophobicContact CH2-CE2 4.29Å; W89-F342 HydrophobicContact CH2-CZ 4.04Å; W89-F342 AromaticContact CZ3-CE2 3.7Å; W89-F342 HydrophobicContact CZ3-CE2 3.7Å; W89-F342 AromaticContact CZ3-CZ 3.73Å; W89-F342 HydrophobicContact CZ3-CZ 3.73Å; T302-F342 HydrophobicContact CG2-CE1 3.79Å; T302-F342 HydrophobicContact CG2-CZ 3.83Å; R304-F342 HydrophobicContact CB-CD1 4.11Å; R304-F342 HydrophobicContact CB-CE1 4.05Å; R304-F342 HydrophobicContact CB-CZ 4.41Å; R304-F342 VanDerWaalsContact CD-CG 3.43Å; R304-F342 VanDerWaalsContact CZ-CD2 3.47Å; Y309-F342 AromaticContact CD1-CD1 3.78Å; Y309-F342 HydrophobicContact CD1-CD1 3.78Å; Y309-F342 HydrophobicContact CD1-CE1 4.25Å; Y309-F342 AromaticContact CD2-CD1 3.56Å; Y309-F342 HydrophobicContact CD2-CD1 3.56Å; Y309-F342 AromaticContact CD2-CE1 3.57Å; Y309-F342 HydrophobicContact CD2-CE1 3.57Å; Y309-F342 AromaticContact CE1-CD1 3.87Å; Y309-F342 HydrophobicContact CE1-CD1 3.87Å; Y309-F342 AromaticContact CE2-CD1 3.67Å; Y309-F342 HydrophobicContact CE2-CD1 3.67Å; Y309-F342 HydrophobicContact CE2-CE1 4.1Å; Y309-F342 AromaticContact CG-CD1 3.62Å; Y309-F342 HydrophobicContact CG-CD1 3.62Å; Y309-F342 AromaticContact CG-CE1 3.65Å; Y309-F342 HydrophobicContact CG-CE1 3.65Å; Y309-F342 AromaticContact CZ-CD1 3.81Å; W325-F342 HydrophobicContact CD2-CE1 4.22Å; W325-F342 HydrophobicContact CD2-CZ 4.32Å; W325-F342 HydrophobicContact CG-CE1 4.12Å; W325-F342 HydrophobicContact CG-CZ 4.42Å; W325-F342 AromaticContact NE1-CZ 3.83Å; V338-F342 HydrophobicContact CG2-CB 4.3Å; V338-F342 HydrophobicContact CG2-CD1 4.23Å; V338-F342 HydrophobicContact CG2-CG 4.48Å; D339-F342 WeakPolarHBondContact O-CA 3.3Å; D339-F342 PolarHBondContact O-N 3.48Å; D339-F342 PolarHBondContact OD1-N 3.15Å; S340-F342 WeakPolarHBondContact O-CD2 3.44Å
343F93.4Very high77.5Confident140 Ų14080.7 Ų80.761%0.61446%0.458SS*.PPolyproline II helixtrans-90.6142168.9-61.9-70.3000111.1V338 D339 D341 V345V338-F343 CarbonylContact C-O 3.59Å; V338-F343 WeakPolarHBondContact CA-O 3.33Å; V338-F343 VanDerWaalsContact CB-O 3.31Å; V338-F343 WeakPolarHBondContact CB-O 3.47Å; D339-F343 PolarHBondContact N-O 3.45Å; D339-F343 PolarHBondContact OD1-N 3.05Å; D341-F343 HydrophobicContact CB-CD2 3.7Å; D341-F343 HydrophobicContact CB-CE2 3.69Å; F343-V345 PolarHBondContact O-N 3.43Å
344L92.5Very high75.5Confident117 Ų11786.6 Ų86.661%0.61347%0.474SS*.BIsolated β-bridgetrans-59.6126.3-179.9-163.689.5000110.9H336H336-L344 HydrophobicContact CB-CD1 3.58Å
345V90.2Very high73.4Confident18 Ų1886.9 Ų86.911%0.10948%0.476CS..PPolyproline II helixtrans-92.1126.3173.2-178.10000108.2N322 Y323 F337 D339 F343 A347N322-V345 HydrophobicContact CB-CG1 4.2Å; N322-V345 HydrophobicContact CB-CG2 3.97Å; N322-V345 WeakPolarHBondContact O-CG2 3.03Å; Y323-V345 HydrophobicContact CD2-CG1 4.17Å; Y323-V345 HydrophobicContact CE1-CG1 4.44Å; Y323-V345 HydrophobicContact CE2-CG1 3.65Å; F337-V345 PolarHBondContact O-N 3.1Å; D339-V345 HydrophobicContact CB-CG2 4.02Å; F343-V345 PolarHBondContact O-N 3.43Å; V345-A347 PolarHBondContact O-N 3.23Å
346P81.5Confident71.1Confident102 Ų10294.3 Ų94.366%0.66251%0.507SS*.PPolyproline II helixtrans-61.4135.4176.423.1-30.4000109.9Y323 K348Y323-P346 PolarHBondContact OH-O 2.67Å; P346-K348 PolarHBondContact O-N 3.38Å
347A73.4Confident68.8Low84 Ų8491.1 Ų91.169%0.69450%0.499SS*.PPolyproline II helixtrans-54.3136.517400000109.3V345 T349V345-A347 PolarHBondContact O-N 3.23Å; A347-T349 PolarHBondContact O-N 3.21Å
348K66.9Low66.5Low151 Ų15191.9 Ų91.966%0.65751%0.51SS*.  trans-55.2102177-165.9168.7-173.4163.30108.2E320 Y323 P346 E350E320-K348 IonicContact OE1-NZ 3.42Å; E320-K348 PolarHBondContact OE1-NZ 3.07Å; Y323-K348 PolarHBondContact OH-N 3.29Å; P346-K348 PolarHBondContact O-N 3.38Å; K348-E350 PolarHBondContact O-N 3.44Å
349T51.3Low64.7Low111 Ų11197.1 Ų97.168%0.68154%0.544SS*.  trans-63.5136.8163.3-460000104.6A347 S351A347-T349 PolarHBondContact O-N 3.21Å; T349-S351 PolarHBondContact O-N 3.26Å; T349-S351 PolarHBondContact O-OG 2.92Å
350E46.4Very low63Low196 Ų196102.4 Ų102.492%0.91657%0.568SS**  trans-65.164.2170.9-64.5-180170.600109.6K348 S352K348-E350 PolarHBondContact O-N 3.44Å; E350-S352 PolarHBondContact O-N 2.82Å
351S42.1Very low61.6Low92 Ų92107 Ų10764%0.64359%0.588SS**  trans-91.4102174.845.40000107.1T349T349-S351 PolarHBondContact O-N 3.26Å; T349-S351 PolarHBondContact O-OG 2.92Å
352S36.2Very low60.5Low89 Ų89108 Ų10862%0.62260%0.596SS**  trans6582.8170.773.60000115.8E350 Q354E350-S352 PolarHBondContact O-N 2.82Å; S352-Q354 PolarHBondContact O-N 2.79Å
353V41.4Very low59.4Low116 Ų116113.5 Ų113.570%0.70362%0.624SS**  -54.988.3127.2179.60000106.1N355V353-N355 HydrophobicContact CG1-CB 3.54Å; V353-N355 WeakPolarHBondContact CG1-ND2 3.47Å; V353-N355 PolarHBondContact O-N 3.03Å
354Q37.7Very low58.5Low166 Ų166113.1 Ų113.178%0.77662%0.622SS**  trans-69.662.4152.4-68.4-173.4-22.900106.6S352 E356S352-Q354 PolarHBondContact O-N 2.79Å; Q354-E356 VanDerWaalsContact C-N 3.33Å; Q354-E356 PolarHBondContact O-N 3.34Å
355N41.9Very low57.7Low126 Ų126113.5 Ų113.567%0.67462%0.62SS**  trans-70.9109.6149.3-83.9-11.5000103.1V353 A357V353-N355 HydrophobicContact CG1-CB 3.54Å; V353-N355 WeakPolarHBondContact CG1-ND2 3.47Å; V353-N355 PolarHBondContact O-N 3.03Å; N355-A357 PolarHBondContact O-N 2.84Å
356E41.1Very low57.1Low190 Ų190117.1 Ų117.189%0.88864%0.642SS**  trans-61.465.8154.9-60.8-146.7158.300108.9Q354Q354-E356 VanDerWaalsContact C-N 3.33Å; Q354-E356 PolarHBondContact O-N 3.34Å
357A45.5Very low57.1Low37 Ų37118.3 Ų118.331%0.30664%0.639SS.*  trans-94.3110.6155.300000104.4N355 Q361N355-A357 PolarHBondContact O-N 2.84Å; A357-Q361 VanDerWaalsContact CA-OE1 3.31Å; A357-Q361 HydrophobicContact CB-CB 4.13Å
358S46.5Very low57.4Low67 Ų67119.4 Ų119.447%0.46963%0.633SS.*  trans-45.8145.6175-480000109.3Q360 Q361S358-Q360 CarbonylContact O-C 3.58Å; S358-Q360 PolarHBondContact O-N 3.27Å; S358-Q361 PolarHBondContact O-N 2.71Å
359P56.7Low58.1Low115 Ų115116.9 Ų116.975%0.74763%0.627SS**Hα-helixtrans-48.1-29.4-179.3-27.832.1000113.8M363P359-M363 WeakPolarHBondContact O-CB 3.34Å; P359-M363 PolarHBondContact O-N 2.91Å; P359-M363 VanDerWaalsContact O-N 3.1Å
360Q60Low59.5Low147 Ų147118.1 Ų118.169%0.68762%0.623SS**Hα-helixtrans-67.6-32.2174.7-71179.1-33.600115.1S358 K364S358-Q360 CarbonylContact O-C 3.58Å; S358-Q360 PolarHBondContact O-N 3.27Å; Q360-K364 WeakPolarHBondContact O-CB 3.4Å; Q360-K364 VanDerWaalsContact O-CG 3.26Å; Q360-K364 WeakPolarHBondContact O-CG 3.37Å; Q360-K364 PolarHBondContact O-N 3.15Å
361Q63.2Low61.3Low110 Ų110114.2 Ų114.251%0.51461%0.608SS.*Hα-helixtrans-74.4-41.6177.1-79177.6-27.600111.2A357 S358 M363 K364 Q365A357-Q361 VanDerWaalsContact CA-OE1 3.31Å; A357-Q361 HydrophobicContact CB-CB 4.13Å; S358-Q361 PolarHBondContact O-N 2.71Å; Q361-M363 VanDerWaalsContact C-N 3.3Å; Q361-M363 PolarHBondContact O-N 3.41Å; Q361-K364 PolarHBondContact O-N 3.09Å; Q361-Q365 WeakPolarHBondContact O-CB 3.45Å; Q361-Q365 PolarHBondContact O-N 3.47Å
362T69.9Low63.1Low75 Ų75114.8 Ų114.846%0.4660%0.603SS.*Hα-helixtrans-62.1-41.6173.9-32.10000110.7Q365 V366T362-Q365 PolarHBondContact O-N 3.06Å; T362-V366 WeakPolarHBondContact O-CG2 3.3Å; T362-V366 PolarHBondContact O-N 3.35Å
363M69.5Low65.1Low135 Ų135112.7 Ų112.767%0.66559%0.591SS**Hα-helixtrans-64.8-41.5177.5-145.6171.1-162.800112.3P359 Q361 Q365 V366 E367P359-M363 WeakPolarHBondContact O-CB 3.34Å; P359-M363 PolarHBondContact O-N 2.91Å; P359-M363 VanDerWaalsContact O-N 3.1Å; Q361-M363 VanDerWaalsContact C-N 3.3Å; Q361-M363 PolarHBondContact O-N 3.41Å; M363-Q365 VanDerWaalsContact C-N 3.33Å; M363-Q365 PolarHBondContact O-N 2.83Å; M363-V366 PolarHBondContact O-N 2.92Å; M363-E367 PolarHBondContact O-N 3.47Å
364K75.5Confident67Low132 Ų132110.5 Ų110.557%0.57458%0.575SS**Hα-helixtrans-63.8-36.8173.7-78175.9180-1760112.9Q360 Q361 E367 N368Q360-K364 WeakPolarHBondContact O-CB 3.4Å; Q360-K364 VanDerWaalsContact O-CG 3.26Å; Q360-K364 WeakPolarHBondContact O-CG 3.37Å; Q360-K364 PolarHBondContact O-N 3.15Å; Q361-K364 PolarHBondContact O-N 3.09Å; K364-E367 PolarHBondContact O-N 2.88Å; K364-N368 WeakPolarHBondContact O-CB 3.27Å; K364-N368 PolarHBondContact O-N 2.56Å
365Q74.1Confident68.8Low125 Ų125105.3 Ų105.358%0.58456%0.557SS**Hα-helixtrans-68.6-43.1177.9-169.4168.9-12.800110.9Q361 T362 M363 E367 N368 D369Q361-Q365 WeakPolarHBondContact O-CB 3.45Å; Q361-Q365 PolarHBondContact O-N 3.47Å; T362-Q365 PolarHBondContact O-N 3.06Å; M363-Q365 VanDerWaalsContact C-N 3.33Å; M363-Q365 PolarHBondContact O-N 2.83Å; Q365-E367 PolarHBondContact O-N 3.24Å; Q365-N368 PolarHBondContact O-N 3.3Å; Q365-D369 PolarHBondContact O-N 3.16Å
366V79.5Confident70.1Confident94 Ų94105 Ų10557%0.5756%0.555SS**Hα-helixtrans-63.1-40.6173.7174.90000111.7T362 M363 D369 F370T362-V366 WeakPolarHBondContact O-CG2 3.3Å; T362-V366 PolarHBondContact O-N 3.35Å; M363-V366 PolarHBondContact O-N 2.92Å; V366-D369 PolarHBondContact O-N 3.09Å; V366-F370 VanDerWaalsContact O-CB 3.31Å; V366-F370 WeakPolarHBondContact O-CB 3.49Å; V366-F370 PolarHBondContact O-N 2.71Å
367E80.5Confident71.2Confident126 Ų126103.2 Ų103.259%0.58955%0.547SS*.Hα-helixtrans-63-40.3174-82.5177.7165.400112.3M363 K364 Q365 L371M363-E367 PolarHBondContact O-N 3.47Å; K364-E367 PolarHBondContact O-N 2.88Å; Q365-E367 PolarHBondContact O-N 3.24Å; E367-L371 VanDerWaalsContact O-CB 3.31Å; E367-L371 WeakPolarHBondContact O-CB 3.35Å; E367-L371 PolarHBondContact O-N 3.36Å
368N79.4Confident71.9Confident108 Ų108110 Ų11058%0.57857%0.572SS**Hα-helixtrans-65.3-43.7176-80.7-17.6000112K364 Q365 L371 L372K364-N368 WeakPolarHBondContact O-CB 3.27Å; K364-N368 PolarHBondContact O-N 2.56Å; Q365-N368 PolarHBondContact O-N 3.3Å; N368-L371 PolarHBondContact O-N 2.98Å; N368-L372 WeakPolarHBondContact O-CB 3.42Å; N368-L372 PolarHBondContact O-N 2.82Å
369D81.2Confident72.1Confident97 Ų97111.1 Ų111.152%0.51958%0.58SS.*Hα-helixtrans-66.6-39.4178.5-70.7-9.1000111.1Q365 V366 L372 A373Q365-D369 PolarHBondContact O-N 3.16Å; V366-D369 PolarHBondContact O-N 3.09Å; D369-L372 PolarHBondContact O-N 3.14Å; D369-A373 WeakPolarHBondContact O-CB 3.21Å; D369-A373 PolarHBondContact O-N 3.21Å
370F82.2Confident71.8Confident138 Ų138107.9 Ų107.961%0.60557%0.567SS**Hα-helixtrans-64.6-40.4174.1-175.4-106.7000112V366 L372 A373 L374V366-F370 VanDerWaalsContact O-CB 3.31Å; V366-F370 WeakPolarHBondContact O-CB 3.49Å; V366-F370 PolarHBondContact O-N 2.71Å; F370-L372 VanDerWaalsContact C-N 3.34Å; F370-A373 PolarHBondContact O-N 3.02Å; F370-L374 HydrophobicContact CD1-CD1 3.88Å; F370-L374 HydrophobicContact CD1-CG 4.43Å; F370-L374 HydrophobicContact CE1-CD1 3.43Å; F370-L374 VanDerWaalsContact CE1-CD1 3.43Å; F370-L374 HydrophobicContact CE1-CG 4.1Å; F370-L374 HydrophobicContact CZ-CD1 3.92Å; F370-L374 HydrophobicContact CZ-CD2 4.3Å; F370-L374 HydrophobicContact CZ-CG 4.19Å; F370-L374 WeakPolarHBondContact O-CG 3.28Å; F370-L374 PolarHBondContact O-N 3.35Å
371L82.4Confident71.1Confident114 Ų114107.3 Ų107.360%0.59758%0.576SS**Hα-helixtrans-65.9-38.3176.2-168.968.4000111.7E367 N368 L374 S375E367-L371 VanDerWaalsContact O-CB 3.31Å; E367-L371 WeakPolarHBondContact O-CB 3.35Å; E367-L371 PolarHBondContact O-N 3.36Å; N368-L371 PolarHBondContact O-N 2.98Å; L371-L374 PolarHBondContact O-N 3.45Å; L371-S375 PolarHBondContact O-N 3.28Å
372L80.7Confident70.1Confident104 Ų104106.2 Ų106.255%0.54559%0.586SS.*Hα-helixtrans-63.9-45174.2-170.570000111.1N368 D369 F370 L374 S375 L376N368-L372 WeakPolarHBondContact O-CB 3.42Å; N368-L372 PolarHBondContact O-N 2.82Å; D369-L372 PolarHBondContact O-N 3.14Å; F370-L372 VanDerWaalsContact C-N 3.34Å; L372-L374 PolarHBondContact O-N 3.19Å; L372-S375 PolarHBondContact O-N 2.84Å; L372-S375 PolarHBondContact O-OG 2.88Å; L372-L376 PolarHBondContact O-N 3.44Å; L372-L376 VanDerWaalsContact O-N 3.1Å
373A79.2Confident69Low45 Ų45108.7 Ų108.737%0.37260%0.596SS.*Hα-helixtrans-60.1-44.2176.900000112.2D369 F370 S375 L376 E377D369-A373 WeakPolarHBondContact O-CB 3.21Å; D369-A373 PolarHBondContact O-N 3.21Å; F370-A373 PolarHBondContact O-N 3.02Å; A373-S375 VanDerWaalsContact C-N 3.33Å; A373-S375 PolarHBondContact O-N 3.15Å; A373-L376 PolarHBondContact O-N 2.97Å; A373-E377 PolarHBondContact O-N 3.24Å
374L79.4Confident68.3Low70 Ų70108 Ų10837%0.36660%0.595SS.*Hα-helixtrans-62.5-38.8175.5-72.2177.1000112.6F370 L371 L372 L376 E377 E378F370-L374 HydrophobicContact CD1-CD1 3.88Å; F370-L374 HydrophobicContact CD1-CG 4.43Å; F370-L374 HydrophobicContact CE1-CD1 3.43Å; F370-L374 VanDerWaalsContact CE1-CD1 3.43Å; F370-L374 HydrophobicContact CE1-CG 4.1Å; F370-L374 HydrophobicContact CZ-CD1 3.92Å; F370-L374 HydrophobicContact CZ-CD2 4.3Å; F370-L374 HydrophobicContact CZ-CG 4.19Å; F370-L374 WeakPolarHBondContact O-CG 3.28Å; F370-L374 PolarHBondContact O-N 3.35Å; L371-L374 PolarHBondContact O-N 3.45Å; L372-L374 PolarHBondContact O-N 3.19Å; L374-L376 VanDerWaalsContact C-N 3.27Å; L374-L376 PolarHBondContact O-N 2.87Å; L374-E377 PolarHBondContact O-N 2.95Å; L374-E378 PolarHBondContact O-N 3.23Å
375S76.3Confident67.3Low57 Ų57109.2 Ų109.240%0.39960%0.603SS.*Hα-helixtrans-66.3-30.2177.473.60000113.1L371 L372 A373 S379L371-S375 PolarHBondContact O-N 3.28Å; L372-S375 PolarHBondContact O-N 2.84Å; L372-S375 PolarHBondContact O-OG 2.88Å; A373-S375 VanDerWaalsContact C-N 3.33Å; A373-S375 PolarHBondContact O-N 3.15Å; S375-S379 PolarHBondContact O-OG 3.41Å
376L69.8Low66.9Low118 Ų118106.9 Ų106.962%0.61860%0.598SS**Hα-helixtrans-74.2-34.7173.8-72.1165.9000111.6L372 A373 L374 S379L372-L376 PolarHBondContact O-N 3.44Å; L372-L376 VanDerWaalsContact O-N 3.1Å; A373-L376 PolarHBondContact O-N 2.97Å; L374-L376 VanDerWaalsContact C-N 3.27Å; L374-L376 PolarHBondContact O-N 2.87Å; L376-S379 WeakPolarHBondContact O-CB 3.22Å; L376-S379 PolarHBondContact O-N 3.38Å
377E64Low66.2Low154 Ų154105.2 Ų105.272%0.7259%0.594SS**Hα-helixtrans-76-32.1178-72.1-175.7172.800113.7A373 L374 S379A373-E377 PolarHBondContact O-N 3.24Å; L374-E377 PolarHBondContact O-N 2.95Å; E377-S379 PolarHBondContact O-N 3.41Å
378E60.3Low65.8Low179 Ų179104.5 Ų104.584%0.83659%0.594SS**SBendtrans-69.7-14.4172.3-80.8-172.1157.400112.9L374 G380L374-E378 PolarHBondContact O-N 3.23Å; E378-G380 PolarHBondContact O-N 3.13Å
379S50.7Low65.7Low91 Ų91105.6 Ų105.664%0.63660%0.596SS**SBendtrans-80.466.9169.6-51.60000109.8S375 L376 E377S375-S379 PolarHBondContact O-OG 3.41Å; L376-S379 WeakPolarHBondContact O-CB 3.22Å; L376-S379 PolarHBondContact O-N 3.38Å; E377-S379 PolarHBondContact O-N 3.41Å
380G50.2Low65.6Low46 Ų46107.1 Ų107.147%0.47460%0.603SS.*  trans-56.5156.9175.700000112.7E378 A382E378-G380 PolarHBondContact O-N 3.13Å; G380-A382 PolarHBondContact O-N 3.08Å
381P45.2Very low65.5Low135 Ų135105.4 Ų105.488%0.87760%0.599SS**SBendtrans-72.987.8-169.931.6-34.3000110
382A41.5Very low65.5Low87 Ų87102.6 Ų102.672%0.71959%0.593SS**SBendtrans-148.2102.3176.400000109.8G380G380-A382 PolarHBondContact O-N 3.08Å
383N47Very low65.5Low128 Ų128100.2 Ų100.268%0.68459%0.588SS**  trans72.268.9-179.7-77.8-9.5000117Q385 T386N383-Q385 PolarHBondContact O-N 2.89Å; N383-Q385 VanDerWaalsContact O-N 3.08Å; N383-T386 PolarHBondContact O-N 3.25Å; N383-T386 PolarHBondContact O-OG1 3.28Å
384D55Low65.8Low119 Ų119105.1 Ų105.164%0.63660%0.601SS**Hα-helixtrans-51.5-27.7171.7-73.2-17.9000114.4T386 D388D384-T386 PolarHBondContact O-N 2.89Å; D384-D388 WeakPolarHBondContact O-CB 3.45Å; D384-D388 PolarHBondContact O-N 2.64Å
385Q54.9Low66.1Low158 Ų158106.7 Ų106.774%0.73861%0.61SS**Hα-helixtrans-72.5-26.2-177.8-67.1-173.9-1000113.8N383 Q389N383-Q385 PolarHBondContact O-N 2.89Å; N383-Q385 VanDerWaalsContact O-N 3.08Å; Q385-Q389 WeakPolarHBondContact O-CB 3.48Å; Q385-Q389 WeakPolarHBondContact O-CG 3.32Å; Q385-Q389 PolarHBondContact O-N 3.2Å
386T65.6Low66.6Low77 Ų77109.6 Ų109.647%0.47262%0.617SS.*Hα-helixtrans-90-31.2-178.637.70000113.1N383 D384 L390N383-T386 PolarHBondContact O-N 3.25Å; N383-T386 PolarHBondContact O-OG1 3.28Å; D384-T386 PolarHBondContact O-N 2.89Å; T386-L390 WeakPolarHBondContact O-CB 3.28Å; T386-L390 PolarHBondContact O-N 2.97Å; T386-L390 VanDerWaalsContact O-N 3.11Å
387A65.5Low67.4Low59 Ų59108.8 Ų108.849%0.48861%0.61SS.*Hα-helixtrans-72.1-45.4176.900000111.2Q389 L390 L391A387-Q389 VanDerWaalsContact C-N 3.33Å; A387-Q389 PolarHBondContact O-N 3.11Å; A387-L390 PolarHBondContact O-N 3.03Å; A387-L391 PolarHBondContact O-N 3.37Å
388D71.3Confident68.3Low110 Ų110107.3 Ų107.359%0.58860%0.603SS**Hα-helixtrans-62.4-40175.2-81-6.6000111.9D384 L391 A392D384-D388 WeakPolarHBondContact O-CB 3.45Å; D384-D388 PolarHBondContact O-N 2.64Å; D388-L391 PolarHBondContact O-N 3.03Å; D388-A392 WeakPolarHBondContact O-CB 3.29Å; D388-A392 PolarHBondContact O-N 3.37Å
389Q77.5Confident69.3Low132 Ų132105.7 Ų105.762%0.61760%0.595SS**Hα-helixtrans-64.8-38.9175.8-79.317515.200112.6Q385 A387 A393Q385-Q389 WeakPolarHBondContact O-CB 3.48Å; Q385-Q389 WeakPolarHBondContact O-CG 3.32Å; Q385-Q389 PolarHBondContact O-N 3.2Å; A387-Q389 VanDerWaalsContact C-N 3.33Å; A387-Q389 PolarHBondContact O-N 3.11Å; Q389-A393 VanDerWaalsContact O-CB 3.29Å; Q389-A393 WeakPolarHBondContact O-CB 3.28Å; Q389-A393 PolarHBondContact O-N 2.95Å
390L78.9Confident71Confident129 Ų129107 Ų10768%0.67559%0.591SS**Hα-helixtrans-68.8-39.9176.1-87.2167.3000111.9T386 A387 A393 K394T386-L390 WeakPolarHBondContact O-CB 3.28Å; T386-L390 PolarHBondContact O-N 2.97Å; T386-L390 VanDerWaalsContact O-N 3.11Å; A387-L390 PolarHBondContact O-N 3.03Å; L390-A393 PolarHBondContact O-N 3.32Å; L390-K394 WeakPolarHBondContact O-CB 2.74Å; L390-K394 PolarHBondContact O-N 2.94Å
391L80.4Confident72.6Confident101 Ų101112.2 Ų112.253%0.52960%0.597SS.*Hα-helixtrans-65.9-44.8175.8-175.562.1000111.2A387 D388 A393 K394 L395A387-L391 PolarHBondContact O-N 3.37Å; D388-L391 PolarHBondContact O-N 3.03Å; L391-A393 VanDerWaalsContact C-N 3.35Å; L391-A393 PolarHBondContact O-N 2.95Å; L391-K394 PolarHBondContact O-N 3.47Å; L391-L395 HydrophobicContact CG-CD1 4.39Å; L391-L395 PolarHBondContact O-N 3.38Å
392A81.6Confident74.4Confident55 Ų55108.8 Ų108.846%0.45558%0.579SS.*Hα-helixtrans-60.7-42.7175.700000111.9D388 K394 L395 Q396D388-A392 WeakPolarHBondContact O-CB 3.29Å; D388-A392 PolarHBondContact O-N 3.37Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.3Å; A392-L395 PolarHBondContact O-N 2.96Å; A392-Q396 WeakPolarHBondContact O-CB 3.41Å; A392-Q396 PolarHBondContact O-N 2.98Å
393A82.2Confident76.4Confident55 Ų55107.5 Ų107.546%0.45557%0.569SS.*Hα-helixtrans-62.8-38.9176.200000112.2Q389 L390 L391 Q396 E397Q389-A393 VanDerWaalsContact O-CB 3.29Å; Q389-A393 WeakPolarHBondContact O-CB 3.28Å; Q389-A393 PolarHBondContact O-N 2.95Å; L390-A393 PolarHBondContact O-N 3.32Å; L391-A393 VanDerWaalsContact C-N 3.35Å; L391-A393 PolarHBondContact O-N 2.95Å; A393-Q396 PolarHBondContact O-N 2.89Å; A393-E397 PolarHBondContact O-N 2.99Å
394K85.6Confident78.1Confident147 Ų147104.3 Ų104.364%0.63956%0.561SS**Hα-helixtrans-68.6-43.5178.8-166.7177.9-178.8-177.30112.3L390 L391 A392 Q396 E397 E398L390-K394 WeakPolarHBondContact O-CB 2.74Å; L390-K394 PolarHBondContact O-N 2.94Å; L391-K394 PolarHBondContact O-N 3.47Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.3Å; K394-Q396 VanDerWaalsContact C-N 3.33Å; K394-E397 PolarHBondContact O-N 2.8Å; K394-E398 PolarHBondContact O-N 2.9Å; K394-E398 VanDerWaalsContact O-N 3.08Å
395L83.9Confident79.3Confident104 Ų104101.6 Ų101.655%0.54556%0.555SS.*Hα-helixtrans-62.3-41.8174.9-75.6169.9000111.5L391 A392 E397 E398 E399L391-L395 HydrophobicContact CG-CD1 4.39Å; L391-L395 PolarHBondContact O-N 3.38Å; A392-L395 PolarHBondContact O-N 2.96Å; L395-E397 VanDerWaalsContact C-N 3.33Å; L395-E397 PolarHBondContact O-N 3.37Å; L395-E398 PolarHBondContact O-N 2.77Å; L395-E399 PolarHBondContact O-N 3.12Å
396Q87.7Confident80.4Confident117 Ų11797 Ų9755%0.54754%0.544SS..Hα-helixtrans-64.5-36.9177-171.6168.54.700112.4A392 A393 K394 Q400A392-Q396 WeakPolarHBondContact O-CB 3.41Å; A392-Q396 PolarHBondContact O-N 2.98Å; A393-Q396 PolarHBondContact O-N 2.89Å; K394-Q396 VanDerWaalsContact C-N 3.33Å; Q396-Q400 WeakPolarHBondContact O-CB 3.49Å; Q396-Q400 VanDerWaalsContact O-CG 3.27Å; Q396-Q400 WeakPolarHBondContact O-CG 3.29Å; Q396-Q400 PolarHBondContact O-N 3.15Å
397E85.8Confident81Confident101 Ų10196.2 Ų96.247%0.47255%0.545SS..Hα-helixtrans-66.4-40.4174.7-165.9-169.7160.700112A393 K394 L395 Q400 R401A393-E397 PolarHBondContact O-N 2.99Å; K394-E397 PolarHBondContact O-N 2.8Å; L395-E397 VanDerWaalsContact C-N 3.33Å; L395-E397 PolarHBondContact O-N 3.37Å; E397-Q400 PolarHBondContact O-N 2.88Å; E397-R401 WeakPolarHBondContact O-CB 3.17Å; E397-R401 PolarHBondContact O-N 3.47Å; E397-R401 IonicContact OE1-CZ 2.76Å; E397-R401 IonicContact OE1-NH2 3.83Å; E397-R401 PolarHBondContact OE1-NH2 3.35Å
398E84.4Confident81.5Confident124 Ų12496.3 Ų96.358%0.57955%0.545SS*.Hα-helixtrans-66-41.6178.8-167.8166.8-165.800111.9K394 L395 R401 A402K394-E398 PolarHBondContact O-N 2.9Å; K394-E398 VanDerWaalsContact O-N 3.08Å; L395-E398 PolarHBondContact O-N 2.77Å; E398-R401 PolarHBondContact O-N 3.29Å; E398-A402 PolarHBondContact O-N 3.46Å
399E81.7Confident81.6Confident145 Ų14594 Ų9468%0.67854%0.541SS*.Hα-helixtrans-65.3-41.7175.5-162.7176.7-161.900111.8L395 R401 A402 A403L395-E399 PolarHBondContact O-N 3.12Å; E399-R401 VanDerWaalsContact C-N 3.31Å; E399-R401 PolarHBondContact O-N 3.38Å; E399-A402 PolarHBondContact O-N 3.49Å; E399-A403 WeakPolarHBondContact O-CB 3.17Å; E399-A403 PolarHBondContact O-N 2.72Å
400Q85Confident81.2Confident118 Ų11891 Ų9155%0.55154%0.54SS*.Hα-helixtrans-61.8-38.8172.7-75.4175.618.500112.1Q396 E397 A403 A404Q396-Q400 WeakPolarHBondContact O-CB 3.49Å; Q396-Q400 VanDerWaalsContact O-CG 3.27Å; Q396-Q400 WeakPolarHBondContact O-CG 3.29Å; Q396-Q400 PolarHBondContact O-N 3.15Å; E397-Q400 PolarHBondContact O-N 2.88Å; Q400-A403 PolarHBondContact O-N 3.5Å; Q400-A404 WeakPolarHBondContact O-CB 3.4Å; Q400-A404 PolarHBondContact O-N 3.25Å
401R85.2Confident80.7Confident156 Ų15688.9 Ų88.959%0.58954%0.541SS*.Hα-helixtrans-68.7-40.2178-163.1-179.4-70.5151.6-2.2111.4E397 E398 E399 A404 A405E397-R401 WeakPolarHBondContact O-CB 3.17Å; E397-R401 PolarHBondContact O-N 3.47Å; E397-R401 IonicContact OE1-CZ 2.76Å; E397-R401 IonicContact OE1-NH2 3.83Å; E397-R401 PolarHBondContact OE1-NH2 3.35Å; E398-R401 PolarHBondContact O-N 3.29Å; E399-R401 VanDerWaalsContact C-N 3.31Å; E399-R401 PolarHBondContact O-N 3.38Å; R401-A404 PolarHBondContact O-N 2.64Å; R401-A405 WeakPolarHBondContact O-CB 3.35Å; R401-A405 PolarHBondContact O-N 3.08Å
402A82.4Confident79.8Confident62 Ų6287.9 Ų87.951%0.51255%0.547SS..Hα-helixtrans-64.9-43.5173.600000111.8E398 E399 A404 A405 A406E398-A402 PolarHBondContact O-N 3.46Å; E399-A402 PolarHBondContact O-N 3.49Å; A402-A404 PolarHBondContact O-N 3.29Å; A402-A405 PolarHBondContact O-N 2.91Å; A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 3Å
403A83.1Confident78.2Confident61 Ų6190 Ų9050%0.50456%0.555SS.*Hα-helixtrans-62.9-41.4175.500000112.1E399 Q400 A406 A407E399-A403 WeakPolarHBondContact O-CB 3.17Å; E399-A403 PolarHBondContact O-N 2.72Å; Q400-A403 PolarHBondContact O-N 3.5Å; A403-A406 PolarHBondContact O-N 3.41Å; A403-A407 WeakPolarHBondContact O-CB 3.25Å; A403-A407 PolarHBondContact O-N 3.32Å
404A82.7Confident76.8Confident61 Ų6192.2 Ų92.250%0.50456%0.564SS.*Hα-helixtrans-65.3-39.3175.300000112.2Q400 R401 A402 A407 A408Q400-A404 WeakPolarHBondContact O-CB 3.4Å; Q400-A404 PolarHBondContact O-N 3.25Å; R401-A404 PolarHBondContact O-N 2.64Å; A402-A404 PolarHBondContact O-N 3.29Å; A404-A407 PolarHBondContact O-N 2.91Å; A404-A408 WeakPolarHBondContact O-CB 3.47Å; A404-A408 PolarHBondContact O-N 2.83Å
405A80.8Confident74.8Confident62 Ų6291.2 Ų91.251%0.51257%0.573SS.*Hα-helixtrans-65.3-41.8174.800000111.9R401 A402 A408 A409R401-A405 WeakPolarHBondContact O-CB 3.35Å; R401-A405 PolarHBondContact O-N 3.08Å; A402-A405 PolarHBondContact O-N 2.91Å; A405-A408 PolarHBondContact O-N 3.06Å; A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.49Å
406A77.1Confident72.8Confident62 Ų6295.4 Ų95.451%0.51259%0.589SS.*Hα-helixtrans-63.9-42.2174.900000112A402 A403 A409 A410A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 3Å; A403-A406 PolarHBondContact O-N 3.41Å; A406-A409 PolarHBondContact O-N 2.93Å; A406-A410 WeakPolarHBondContact O-CB 3.46Å; A406-A410 PolarHBondContact O-N 3.11Å
407A78.6Confident70.5Confident60 Ų60100.3 Ų100.350%0.49660%0.603SS.*Hα-helixtrans-65-39.6175.200000112.2A403 A404 A410 A411A403-A407 WeakPolarHBondContact O-CB 3.25Å; A403-A407 PolarHBondContact O-N 3.32Å; A404-A407 PolarHBondContact O-N 2.91Å; A407-A410 PolarHBondContact O-N 3.49Å; A407-A411 WeakPolarHBondContact O-CB 3.44Å; A407-A411 PolarHBondContact O-N 3.18Å
408A76.6Confident68.2Low60 Ų60107 Ų10750%0.49662%0.624SS.*Hα-helixtrans-66.3-39.4174.800000112.1A404 A405 A411 A412A404-A408 WeakPolarHBondContact O-CB 3.47Å; A404-A408 PolarHBondContact O-N 2.83Å; A405-A408 PolarHBondContact O-N 3.06Å; A408-A411 PolarHBondContact O-N 2.96Å; A408-A412 VanDerWaalsContact O-CB 3.29Å; A408-A412 WeakPolarHBondContact O-CB 3.13Å; A408-A412 PolarHBondContact O-N 3.46Å
409A72.9Confident66Low61 Ų61109.2 Ų109.250%0.50463%0.634SS.*Hα-helixtrans-64.6-40.5174.200000111.9A405 A406 A412 T413A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.49Å; A406-A409 PolarHBondContact O-N 2.93Å; A409-A412 PolarHBondContact O-N 3.47Å; A409-T413 PolarHBondContact O-OG1 2.81Å
410A69.5Low63.9Low70 Ų70113.1 Ų113.158%0.57964%0.643SS**Hα-helixtrans-64.5-40.6174.100000112.1A406 A407 T413A406-A410 WeakPolarHBondContact O-CB 3.46Å; A406-A410 PolarHBondContact O-N 3.11Å; A407-A410 PolarHBondContact O-N 3.49Å; A410-T413 PolarHBondContact O-N 3.03Å
411A68.7Low61.7Low85 Ų85113.7 Ų113.770%0.70266%0.657SS**Hα-helixtrans-74.1-26.8178.700000113.8A407 A408 T413A407-A411 WeakPolarHBondContact O-CB 3.44Å; A407-A411 PolarHBondContact O-N 3.18Å; A408-A411 PolarHBondContact O-N 2.96Å; A411-T413 PolarHBondContact O-N 3.46Å
412A59.8Low59.7Low80 Ų80113 Ų11366%0.66167%0.669SS**THydrogen-bonded Turntrans-78.4-4.4176.400000113.4A408 A409 P414A408-A412 VanDerWaalsContact O-CB 3.29Å; A408-A412 WeakPolarHBondContact O-CB 3.13Å; A408-A412 PolarHBondContact O-N 3.46Å; A409-A412 PolarHBondContact O-N 3.47Å; A412-P414 WeakPolarHBondContact O-CD 3.32Å
413T48.2Very low57.7Low100 Ų100115.3 Ų115.361%0.61368%0.682SS**SBendtrans-79.1111.4172.4-51.80000108.6A409 A410 A411A409-T413 PolarHBondContact O-OG1 2.81Å; A410-T413 PolarHBondContact O-N 3.03Å; A411-T413 PolarHBondContact O-N 3.46Å
414P52.3Low55.6Low100 Ų100123.5 Ų123.565%0.64970%0.7SS**  trans-65.9144.9-179.311.5-4000109.4A412 Q416A412-P414 WeakPolarHBondContact O-CD 3.32Å; P414-Q416 PolarHBondContact O-N 2.95Å
415P44.1Very low53.7Low126 Ų126125.4 Ų125.482%0.81871%0.707SS**  trans-62.1111.7174.326.8-31.2000107.2R417P415-R417 VanDerWaalsContact C-N 3.35Å; P415-R417 PolarHBondContact O-N 3.26Å
416Q43.1Very low51.5Low192 Ų192131.7 Ų131.790%0.89773%0.726SS**  trans-56.7108.8165.4-88.7-173.1-12.800106.7P414 R418P414-Q416 PolarHBondContact O-N 2.95Å; Q416-R418 PolarHBondContact O-N 3.45Å
417R39.2Very low49.7Very low221 Ų221138.1 Ų138.183%0.83474%0.743SS**  trans-48.2107.1177.4-164179.7-161.9-172.14.1107.3P415 E419P415-R417 VanDerWaalsContact C-N 3.35Å; P415-R417 PolarHBondContact O-N 3.26Å; R417-E419 VanDerWaalsContact C-N 3.26Å; R417-E419 PolarHBondContact O-N 2.98Å
418R36.7Very low47.9Very low241 Ų241139.4 Ų139.491%0.90975%0.753SS**  trans-52.696.6161.9-101177.8163.3169.2-4.9106.9Q416 R420Q416-R418 PolarHBondContact O-N 3.45Å; R418-R420 PolarHBondContact O-N 3.47Å; R418-R420 VanDerWaalsContact O-N 3.13Å
419E39.2Very low45.8Very low171 Ų171143 Ų14380%0.79977%0.769SS**  trans-64.5112.3167.9-68.5-164.9155.700106.8R417R417-E419 VanDerWaalsContact C-N 3.26Å; R417-E419 PolarHBondContact O-N 2.98Å
420R37.5Very low44.2Very low227 Ų227146.2 Ų146.286%0.85778%0.782SS**PPolyproline II helixtrans-59.6136.3171.4-71.8177.4172.3-173.7-3.4107.9R418 V422R418-R420 PolarHBondContact O-N 3.47Å; R418-R420 VanDerWaalsContact O-N 3.13Å; R420-V422 PolarHBondContact O-N 3.18Å
421P37.8Very low42.5Very low129 Ų129147.3 Ų147.384%0.83879%0.786SS**PPolyproline II helixtrans-63.3116.5170.526.9-30000107.7S423P421-S423 PolarHBondContact O-N 3.04Å
422V43.5Very low41.2Very low141 Ų141152.4 Ų152.486%0.85580%0.795SS**PPolyproline II helixtrans-65122.9174.3173.80000107.9R420 R424R420-V422 PolarHBondContact O-N 3.18Å; V422-R424 PolarHBondContact O-N 2.86Å
423S39.7Very low40Very low111 Ų111152.6 Ų152.678%0.77680%0.797SS**PPolyproline II helixtrans-55.1125.2178.30.10000111.5P421P421-S423 PolarHBondContact O-N 3.04Å
424R40Very low39.7Very low233 Ų233154.7 Ų154.788%0.87981%0.809SS**PPolyproline II helixtrans-53.2127.7169-171.5179.6-170.3178.82.6110.9V422V422-R424 PolarHBondContact O-N 2.86Å
425P41.4Very low39Very low102 Ų102155.7 Ų155.766%0.66281%0.809SS**PPolyproline II helixtrans-83.5122.9168.630.6-26.5000109.6F427P425-F427 PolarHBondContact O-N 2.98Å
426E35.3Very low38.8Very low194 Ų194160 Ų16091%0.90781%0.811SS**PPolyproline II helixtrans-62.1118.3165.6-70.7178.1146.400109.5A428E426-A428 PolarHBondContact O-N 3.47Å
427F40.2Very low38.7Very low197 Ų197158 Ų15886%0.86480%0.802SS**  trans-89.2100.8164.3-98.2-86.8000108.8P425P425-F427 PolarHBondContact O-N 2.98Å
428A39.8Very low39Very low86 Ų86152 Ų15271%0.71179%0.793SS**  trans-64.3129.6168.600000110.6E426E426-A428 PolarHBondContact O-N 3.47Å
429T32Very low39.3Very low136 Ų136148.7 Ų148.783%0.83479%0.785SS**  trans-62.7122.4166.537.80000111.8
430T40.3Very low39.6Very low128 Ų128147.9 Ų147.979%0.78578%0.782SS**  trans-156111.3152.78.60000111.8
431S34.7Very low40.4Very low94 Ų94146.5 Ų146.566%0.65778%0.782SS**  trans27.4120.2140.159.60000119.4
432H39.9Very low40.5Very low192 Ų192147.3 Ų147.389%0.88978%0.784SS**  -164.2130.2116.9-109.9-72.7000112
433A35.2Very low41.1Very low84 Ų84147.5 Ų147.569%0.69481%0.814SS**  trans-71.2147.1176.700000112.2
434T41Very low41.1Very low143 Ų143149.3 Ų149.388%0.87782%0.816SS**  trans-165.598138.813.30000111.3
435N38.4Very low41.2Very low122 Ų122144.9 Ų144.965%0.65281%0.813SS**  trans-0.7131.6142.5-158.19.3000118.4
436Y39.7Very low41.2Very low217 Ų217147.3 Ų147.385%0.85182%0.821SS**  -165.598.8127-106.5-76.4000110.9
437Q42.1Very low41.5Very low150 Ų150144.5 Ų144.570%0.70182%0.816SS**  18.4138.1125.2-96.9178.68.300117.6
438S44.2Very low41.6Very low95 Ų95141.3 Ų141.366%0.66481%0.813SS**  cis-170.216524.8-38.40000106.2
439K43.3Very low41.7Very low170 Ų170144.9 Ų144.974%0.73982%0.82SS**  178.2138.254.5-122.6179.3-172.6-172.40108.2
440E46.5Very low42.4Very low154 Ų154145.6 Ų145.672%0.7282%0.819SS**  trans50135.2134.4-66.1174.8143.300119.8
441K53.1Low42.6Very low199 Ų199146.9 Ų146.987%0.86582%0.822SS**  cis-168.3150.348.7-141.7169.3-169-178.30112.4
442V40.1Very low43.3Very low145 Ų145151.3 Ų151.388%0.87984%0.836SS**  trans-80.9149.3-176.9170.90000112.4
443G55.7Low43.6Very low145 Ų145147.6 Ų147.6100%1.49583%0.831SS**  trans-169.20161.800000108.8

Retrieved 443 of 443 residues in 465.4 ms (Link to these results)